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 2j3h_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MTATNKQVIL KDYVSGFPTE SDFDFTTTTV ELRVPEGTNS VLVKNLYLSC DATA SEQUENCE DPYMRIRMGK PDPSTAALAQ AYTPGQPIQG YGVSRIIESG HPDYKKGDLL DATA SEQUENCE WGIVAWEEYS VITPMTHAHF KIQHTDVPLS YYTGLLGMPG MTAYAGFYEV DATA SEQUENCE CSPKEGETVY VSAASGAVGQ LVGQLAKMMG CYVVGSAGSK EKVDLLKTKF DATA SEQUENCE GFDDAFNYKE ESDLTAALKR CFPNGIDIYF ENVGGKMLDA VLVNMNMHGR DATA SEQUENCE IAVCGMISQY NLENQEGVHN LSNIIYKRNR IQGFVVSDFY DKYSKFLEFV DATA SEQUENCE LPHIREGKIT YVEDVADGLE KAPEALVGLF HGKNVGKQVV VVARE 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.253 176.300 -0.079 0.000 1.140 1001 M CA 0.000 55.265 55.300 -0.058 0.000 0.988 1001 M CB 0.000 32.576 32.600 -0.040 0.000 1.302 1002 T N 1.343 115.845 114.554 -0.087 0.000 3.198 1002 T HA 0.673 5.022 4.350 -0.002 0.000 0.352 1002 T C -0.083 174.548 174.700 -0.114 0.000 1.197 1002 T CA -0.251 61.792 62.100 -0.096 0.000 1.427 1002 T CB 1.181 70.013 68.868 -0.061 0.000 0.983 1002 T HN 0.512 nan 8.240 nan 0.000 0.560 1003 A N 2.563 125.267 122.820 -0.194 0.000 2.363 1003 A HA 0.645 4.963 4.320 -0.002 0.000 0.270 1003 A C 0.946 178.420 177.584 -0.183 0.000 1.121 1003 A CA -0.609 51.288 52.037 -0.233 0.000 0.800 1003 A CB 0.042 18.753 19.000 -0.482 0.000 1.052 1003 A HN 0.692 nan 8.150 nan 0.000 0.493 1004 T N 0.254 114.754 114.554 -0.090 0.000 2.870 1004 T HA 0.334 4.683 4.350 -0.002 0.000 0.300 1004 T C -0.147 174.572 174.700 0.030 0.000 0.989 1004 T CA -0.353 61.732 62.100 -0.025 0.000 1.139 1004 T CB 0.203 69.072 68.868 0.001 0.000 0.920 1004 T HN 0.657 nan 8.240 nan 0.000 0.537 1005 N N 2.298 121.038 118.700 0.067 0.000 2.696 1005 N HA 0.193 4.931 4.740 -0.002 0.000 0.246 1005 N C -0.567 175.029 175.510 0.143 0.000 1.057 1005 N CA -0.700 52.452 53.050 0.169 0.000 0.867 1005 N CB 1.004 39.593 38.487 0.169 0.000 1.141 1005 N HN 0.727 nan 8.380 nan 0.000 0.517 1006 K N 2.076 122.562 120.400 0.144 0.000 2.382 1006 K HA 0.126 4.445 4.320 -0.002 0.000 0.275 1006 K C -0.627 176.082 176.600 0.181 0.000 1.009 1006 K CA 0.281 56.662 56.287 0.158 0.000 0.970 1006 K CB 0.533 33.117 32.500 0.139 0.000 0.934 1006 K HN 0.621 nan 8.250 nan 0.000 0.479 1007 Q N 1.251 121.178 119.800 0.212 0.000 2.495 1007 Q HA 0.500 4.838 4.340 -0.002 0.000 0.287 1007 Q C -1.708 174.365 176.000 0.122 0.000 1.078 1007 Q CA -1.098 54.800 55.803 0.160 0.000 0.793 1007 Q CB 2.654 31.458 28.738 0.110 0.000 1.459 1007 Q HN 0.388 nan 8.270 nan 0.000 0.422 1008 V N 1.860 121.784 119.914 0.017 0.000 2.482 1008 V HA 0.528 4.647 4.120 -0.002 0.000 0.295 1008 V C -1.181 174.858 176.094 -0.091 0.000 1.026 1008 V CA -0.442 61.741 62.300 -0.195 0.000 0.856 1008 V CB 1.024 32.645 31.823 -0.335 0.000 1.001 1008 V HN 0.732 nan 8.190 nan 0.000 0.424 1009 I N 6.129 126.637 120.570 -0.103 0.000 2.577 1009 I HA 0.384 4.553 4.170 -0.002 0.000 0.300 1009 I C -0.271 175.824 176.117 -0.036 0.000 0.990 1009 I CA -0.661 60.598 61.300 -0.069 0.000 1.283 1009 I CB 1.684 39.656 38.000 -0.046 0.000 1.411 1009 I HN 0.481 nan 8.210 nan 0.000 0.515 1010 L N 6.340 127.509 121.223 -0.090 0.000 2.264 1010 L HA 0.271 4.610 4.340 -0.002 0.000 0.289 1010 L C 0.794 177.570 176.870 -0.157 0.000 1.044 1010 L CA -0.219 54.547 54.840 -0.124 0.000 0.807 1010 L CB 1.221 43.193 42.059 -0.146 0.000 1.192 1010 L HN 0.741 nan 8.230 nan 0.000 0.425 1011 K N 2.411 122.704 120.400 -0.177 0.000 1.985 1011 K HA -0.099 4.220 4.320 -0.002 0.000 0.210 1011 K C -0.059 176.425 176.600 -0.194 0.000 1.047 1011 K CA 1.456 57.654 56.287 -0.148 0.000 0.932 1011 K CB 0.145 32.571 32.500 -0.123 0.000 0.716 1011 K HN 0.641 nan 8.250 nan 0.000 0.439 1012 D N -3.048 117.213 120.400 -0.231 0.000 2.643 1012 D HA 0.158 4.797 4.640 -0.002 0.000 0.283 1012 D C -1.291 174.857 176.300 -0.254 0.000 1.242 1012 D CA -0.739 53.082 54.000 -0.299 0.000 0.863 1012 D CB 0.618 41.320 40.800 -0.162 0.000 1.382 1012 D HN -0.051 nan 8.370 nan 0.000 0.444 1013 Y N -0.202 120.058 120.300 -0.067 0.000 2.805 1013 Y HA 0.260 4.809 4.550 -0.002 0.000 0.337 1013 Y C 0.565 176.412 175.900 -0.089 0.000 1.252 1013 Y CA -0.263 57.793 58.100 -0.073 0.000 1.515 1013 Y CB 0.458 38.882 38.460 -0.061 0.000 1.305 1013 Y HN -0.040 nan 8.280 nan 0.000 0.600 1014 V N 3.128 123.089 119.914 0.078 0.000 2.481 1014 V HA 0.288 4.407 4.120 -0.002 0.000 0.286 1014 V C -0.217 175.866 176.094 -0.017 0.000 1.042 1014 V CA -0.660 61.635 62.300 -0.008 0.000 0.928 1014 V CB 1.684 33.473 31.823 -0.056 0.000 0.986 1014 V HN 0.747 nan 8.190 nan 0.000 0.462 1015 S N 2.793 118.484 115.700 -0.014 0.000 2.473 1015 S HA 0.784 5.253 4.470 -0.002 0.000 0.307 1015 S C 0.524 175.114 174.600 -0.017 0.000 1.094 1015 S CA 0.188 58.373 58.200 -0.025 0.000 1.070 1015 S CB 1.431 64.627 63.200 -0.007 0.000 1.019 1015 S HN 1.563 nan 8.310 nan 0.000 0.480 1016 G N 2.566 111.332 108.800 -0.055 0.000 2.575 1016 G HA2 -0.253 3.705 3.960 -0.002 0.000 0.267 1016 G HA3 -0.253 3.705 3.960 -0.002 0.000 0.267 1016 G C -0.417 174.427 174.900 -0.093 0.000 1.264 1016 G CA -0.376 44.684 45.100 -0.067 0.000 0.935 1016 G HN 0.566 nan 8.290 nan 0.000 0.568 1017 F N 3.542 123.492 119.950 0.000 0.000 2.553 1017 F HA 0.391 4.917 4.527 -0.002 0.000 0.356 1017 F C -0.582 175.248 175.800 0.051 0.000 1.142 1017 F CA -0.123 57.885 58.000 0.013 0.000 1.322 1017 F CB 0.441 39.507 39.000 0.109 0.000 1.126 1017 F HN 0.335 nan 8.300 nan 0.000 0.599 1018 P HA 0.175 nan 4.420 nan 0.000 0.278 1018 P C -0.729 176.782 177.300 0.351 0.000 1.238 1018 P CA -0.351 62.900 63.100 0.252 0.000 0.794 1018 P CB 1.295 33.165 31.700 0.285 0.000 0.955 1019 T N -2.217 112.477 114.554 0.232 0.000 2.940 1019 T HA 0.323 4.672 4.350 -0.002 0.000 0.288 1019 T C 0.932 175.821 174.700 0.314 0.000 1.045 1019 T CA -0.750 61.495 62.100 0.242 0.000 1.018 1019 T CB 1.207 70.162 68.868 0.144 0.000 1.151 1019 T HN 0.298 nan 8.240 nan 0.000 0.529 1020 E N 0.227 120.611 120.200 0.307 0.000 2.515 1020 E HA -0.011 4.337 4.350 -0.002 0.000 0.201 1020 E C 1.468 178.259 176.600 0.319 0.000 1.071 1020 E CA 0.346 56.973 56.400 0.378 0.000 0.880 1020 E CB -0.065 29.776 29.700 0.235 0.000 0.828 1020 E HN 0.508 nan 8.360 nan 0.000 0.540 1021 S N 0.634 116.437 115.700 0.171 0.000 2.524 1021 S HA -0.026 4.443 4.470 -0.002 0.000 0.216 1021 S C 0.952 175.535 174.600 -0.029 0.000 0.987 1021 S CA 0.168 58.416 58.200 0.080 0.000 0.909 1021 S CB 0.243 63.475 63.200 0.052 0.000 0.781 1021 S HN 0.234 nan 8.310 nan 0.000 0.521 1022 D N 0.698 120.980 120.400 -0.197 0.000 2.349 1022 D HA 0.133 4.772 4.640 -0.002 0.000 0.224 1022 D C -0.305 175.622 176.300 -0.622 0.000 1.029 1022 D CA 0.508 54.245 54.000 -0.437 0.000 0.879 1022 D CB 0.162 40.621 40.800 -0.569 0.000 0.906 1022 D HN 0.330 nan 8.370 nan 0.000 0.528 1023 F N 0.145 120.074 119.950 -0.034 0.000 2.556 1023 F HA 0.475 5.001 4.527 -0.002 0.000 0.327 1023 F C 0.353 176.087 175.800 -0.111 0.000 1.059 1023 F CA -1.159 56.782 58.000 -0.098 0.000 0.953 1023 F CB 1.717 40.644 39.000 -0.122 0.000 1.227 1023 F HN -0.394 nan 8.300 nan 0.000 0.478 1024 D N -0.318 120.097 120.400 0.026 0.000 2.596 1024 D HA 0.550 5.189 4.640 -0.002 0.000 0.262 1024 D C -1.627 174.554 176.300 -0.199 0.000 1.210 1024 D CA -0.439 53.546 54.000 -0.025 0.000 0.873 1024 D CB 1.760 42.575 40.800 0.025 0.000 1.408 1024 D HN 0.195 nan 8.370 nan 0.000 0.441 1025 F N -0.124 119.872 119.950 0.077 0.000 2.523 1025 F HA 0.701 5.227 4.527 -0.002 0.000 0.329 1025 F C 0.642 176.471 175.800 0.047 0.000 1.061 1025 F CA -0.102 57.936 58.000 0.062 0.000 0.967 1025 F CB 2.409 41.440 39.000 0.051 0.000 1.218 1025 F HN 0.043 nan 8.300 nan 0.000 0.480 1026 T N -0.330 114.389 114.554 0.274 0.000 2.816 1026 T HA 0.583 4.932 4.350 -0.002 0.000 0.299 1026 T C -1.321 173.472 174.700 0.155 0.000 1.230 1026 T CA -0.851 61.346 62.100 0.161 0.000 1.007 1026 T CB 2.072 70.998 68.868 0.098 0.000 1.289 1026 T HN 0.455 nan 8.240 nan 0.000 0.508 1027 T N 1.824 116.439 114.554 0.101 0.000 2.991 1027 T HA 0.607 4.956 4.350 -0.002 0.000 0.303 1027 T C -0.601 174.133 174.700 0.056 0.000 1.015 1027 T CA -0.485 61.663 62.100 0.080 0.000 1.007 1027 T CB 1.703 70.606 68.868 0.058 0.000 1.034 1027 T HN 0.609 nan 8.240 nan 0.000 0.446 1028 T N 1.992 116.579 114.554 0.055 0.000 2.948 1028 T HA 0.660 5.009 4.350 -0.002 0.000 0.285 1028 T C -0.217 174.493 174.700 0.016 0.000 1.019 1028 T CA -0.692 61.430 62.100 0.036 0.000 1.013 1028 T CB 1.306 70.201 68.868 0.045 0.000 1.117 1028 T HN 0.505 nan 8.240 nan 0.000 0.533 1029 T N 2.036 116.586 114.554 -0.005 0.000 3.068 1029 T HA 0.450 4.798 4.350 -0.002 0.000 0.364 1029 T C 0.096 174.767 174.700 -0.050 0.000 1.161 1029 T CA -0.706 61.374 62.100 -0.033 0.000 1.155 1029 T CB 0.165 69.016 68.868 -0.028 0.000 1.060 1029 T HN 0.588 nan 8.240 nan 0.000 0.513 1030 V N 0.758 120.623 119.914 -0.082 0.000 2.732 1030 V HA 0.665 4.784 4.120 -0.002 0.000 0.297 1030 V C 0.136 176.155 176.094 -0.125 0.000 1.060 1030 V CA -0.827 61.419 62.300 -0.090 0.000 1.038 1030 V CB 1.261 33.033 31.823 -0.086 0.000 1.003 1030 V HN 0.715 nan 8.190 nan 0.000 0.481 1031 E N 3.183 123.333 120.200 -0.083 0.000 2.174 1031 E HA 0.431 4.780 4.350 -0.002 0.000 0.282 1031 E C -0.458 176.097 176.600 -0.075 0.000 0.992 1031 E CA -0.512 55.842 56.400 -0.077 0.000 0.803 1031 E CB 1.370 31.043 29.700 -0.046 0.000 1.090 1031 E HN 0.712 nan 8.360 nan 0.000 0.396 1032 L N 5.486 126.657 121.223 -0.087 0.000 2.919 1032 L HA 0.206 4.545 4.340 -0.002 0.000 0.242 1032 L C 0.494 177.350 176.870 -0.024 0.000 1.366 1032 L CA 0.252 55.056 54.840 -0.060 0.000 1.212 1032 L CB -1.224 40.793 42.059 -0.071 0.000 1.604 1032 L HN 0.443 nan 8.230 nan 0.000 0.433 1033 R N -1.864 118.624 120.500 -0.019 0.000 2.607 1033 R HA 0.649 4.988 4.340 -0.002 0.000 0.261 1033 R C -0.437 175.863 176.300 0.001 0.000 1.051 1033 R CA -1.016 55.079 56.100 -0.008 0.000 1.110 1033 R CB 0.597 30.891 30.300 -0.010 0.000 1.158 1033 R HN -0.126 nan 8.270 nan 0.000 0.543 1034 V N 2.953 122.870 119.914 0.005 0.000 2.529 1034 V HA 0.130 4.249 4.120 -0.002 0.000 0.292 1034 V C -1.543 174.554 176.094 0.006 0.000 1.028 1034 V CA -1.113 61.192 62.300 0.009 0.000 1.074 1034 V CB 0.355 32.185 31.823 0.012 0.000 0.958 1034 V HN 0.813 nan 8.190 nan 0.000 0.481 1035 P HA 0.201 nan 4.420 nan 0.000 0.271 1035 P C -0.475 176.826 177.300 0.002 0.000 1.216 1035 P CA -0.172 62.929 63.100 0.002 0.000 0.776 1035 P CB 1.283 32.982 31.700 -0.001 0.000 0.881 1036 E N 0.594 120.793 120.200 -0.001 0.000 2.235 1036 E HA 0.522 4.871 4.350 -0.002 0.000 0.265 1036 E C -0.266 176.332 176.600 -0.004 0.000 0.940 1036 E CA -0.613 55.785 56.400 -0.002 0.000 0.819 1036 E CB 1.439 31.137 29.700 -0.003 0.000 1.206 1036 E HN 0.772 nan 8.360 nan 0.000 0.409 1037 G N 1.552 110.349 108.800 -0.006 0.000 2.705 1037 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.686 1037 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.686 1037 G C 0.298 175.192 174.900 -0.010 0.000 1.285 1037 G CA -0.374 44.722 45.100 -0.007 0.000 0.800 1037 G HN 0.798 nan 8.290 nan 0.000 0.611 1038 T N 0.245 114.792 114.554 -0.013 0.000 13.443 1038 T HA -0.356 3.993 4.350 -0.002 0.000 0.405 1038 T C 0.706 175.390 174.700 -0.026 0.000 1.454 1038 T CA 1.743 63.833 62.100 -0.016 0.000 2.265 1038 T CB -0.754 68.110 68.868 -0.007 0.000 2.683 1038 T HN 1.683 nan 8.240 nan 0.000 0.391 1039 N N 1.649 120.340 118.700 -0.014 0.000 2.750 1039 N HA 0.477 5.216 4.740 -0.002 0.000 0.253 1039 N C -1.445 174.101 175.510 0.061 0.000 1.408 1039 N CA -0.171 52.871 53.050 -0.013 0.000 0.780 1039 N CB 1.492 39.917 38.487 -0.104 0.000 1.191 1039 N HN 0.461 nan 8.380 nan 0.000 0.511 1040 S N -0.102 115.611 115.700 0.021 0.000 2.617 1040 S HA 0.704 5.172 4.470 -0.002 0.000 0.283 1040 S C 0.376 174.966 174.600 -0.017 0.000 1.189 1040 S CA -0.745 57.449 58.200 -0.011 0.000 1.036 1040 S CB 1.826 65.016 63.200 -0.016 0.000 1.014 1040 S HN 0.240 nan 8.310 nan 0.000 0.522 1041 V N 0.673 120.534 119.914 -0.087 0.000 2.789 1041 V HA 0.625 4.743 4.120 -0.002 0.000 0.311 1041 V C -0.589 175.456 176.094 -0.082 0.000 1.073 1041 V CA -1.011 61.233 62.300 -0.093 0.000 0.921 1041 V CB 1.511 33.206 31.823 -0.213 0.000 1.009 1041 V HN 0.858 nan 8.190 nan 0.000 0.426 1042 L N 5.259 126.465 121.223 -0.029 0.000 2.305 1042 L HA 0.796 5.134 4.340 -0.002 0.000 0.281 1042 L C -0.258 176.618 176.870 0.010 0.000 1.085 1042 L CA -0.420 54.425 54.840 0.008 0.000 0.813 1042 L CB 1.525 43.611 42.059 0.044 0.000 1.157 1042 L HN 0.915 nan 8.230 nan 0.000 0.436 1043 V N 1.992 121.914 119.914 0.013 0.000 3.001 1043 V HA 0.560 4.679 4.120 -0.002 0.000 0.314 1043 V C -0.786 175.282 176.094 -0.043 0.000 1.099 1043 V CA -1.094 61.198 62.300 -0.013 0.000 0.989 1043 V CB 1.845 33.633 31.823 -0.059 0.000 1.040 1043 V HN 0.813 nan 8.190 nan 0.000 0.434 1044 K N 2.478 122.804 120.400 -0.124 0.000 2.293 1044 K HA 0.445 4.764 4.320 -0.002 0.000 0.267 1044 K C -0.783 175.669 176.600 -0.247 0.000 1.010 1044 K CA -0.538 55.527 56.287 -0.370 0.000 0.875 1044 K CB 0.768 33.085 32.500 -0.304 0.000 1.106 1044 K HN 0.860 nan 8.250 nan 0.000 0.450 1045 N N 5.365 123.905 118.700 -0.267 0.000 2.430 1045 N HA 0.103 4.842 4.740 -0.002 0.000 0.265 1045 N C 0.746 176.142 175.510 -0.191 0.000 1.100 1045 N CA -0.032 52.929 53.050 -0.148 0.000 0.961 1045 N CB 0.989 39.413 38.487 -0.106 0.000 1.075 1045 N HN 0.540 nan 8.380 nan 0.000 0.478 1046 L N 1.220 122.351 121.223 -0.153 0.000 2.189 1046 L HA 0.209 4.548 4.340 -0.002 0.000 0.199 1046 L C -0.100 176.415 176.870 -0.592 0.000 1.074 1046 L CA 0.744 55.379 54.840 -0.343 0.000 0.783 1046 L CB -0.178 41.742 42.059 -0.231 0.000 0.955 1046 L HN 0.390 nan 8.230 nan 0.000 0.460 1047 Y N -0.474 119.825 120.300 -0.001 0.000 2.524 1047 Y HA 0.665 5.214 4.550 -0.002 0.000 0.344 1047 Y C -0.510 175.381 175.900 -0.015 0.000 1.012 1047 Y CA -0.986 57.112 58.100 -0.003 0.000 1.068 1047 Y CB 1.740 40.236 38.460 0.060 0.000 1.249 1047 Y HN -0.214 nan 8.280 nan 0.000 0.468 1048 L N 0.979 122.244 121.223 0.070 0.000 2.388 1048 L HA 0.629 4.968 4.340 -0.002 0.000 0.264 1048 L C -0.485 176.404 176.870 0.031 0.000 0.998 1048 L CA -0.510 54.287 54.840 -0.072 0.000 0.817 1048 L CB 2.400 44.121 42.059 -0.562 0.000 1.338 1048 L HN 0.633 nan 8.230 nan 0.000 0.414 1049 S N 0.687 116.496 115.700 0.182 0.000 2.532 1049 S HA 0.673 5.142 4.470 -0.002 0.000 0.301 1049 S C -1.193 173.635 174.600 0.380 0.000 1.083 1049 S CA -0.380 57.980 58.200 0.266 0.000 1.025 1049 S CB 0.924 64.337 63.200 0.355 0.000 1.056 1049 S HN 0.656 nan 8.310 nan 0.000 0.494 1050 C N 4.281 123.745 119.300 0.273 0.000 2.362 1050 C HA 0.540 4.998 4.460 -0.002 0.000 0.309 1050 C C -0.659 174.436 174.990 0.175 0.000 1.110 1050 C CA -1.207 57.966 59.018 0.258 0.000 1.485 1050 C CB -0.734 27.093 27.740 0.146 0.000 1.949 1050 C HN 0.770 nan 8.230 nan 0.000 0.419 1051 D N 3.572 124.108 120.400 0.228 0.000 2.163 1051 D HA 0.244 4.883 4.640 -0.002 0.000 0.248 1051 D C -1.870 174.568 176.300 0.230 0.000 1.035 1051 D CA -1.200 52.962 54.000 0.270 0.000 0.872 1051 D CB 1.944 43.051 40.800 0.511 0.000 1.183 1051 D HN 0.125 nan 8.370 nan 0.000 0.445 1052 P HA -0.137 nan 4.420 nan 0.000 0.222 1052 P C 1.333 178.959 177.300 0.542 0.000 1.147 1052 P CA 0.885 64.300 63.100 0.524 0.000 0.790 1052 P CB -0.127 31.850 31.700 0.462 0.000 0.780 1053 Y N -1.592 118.892 120.300 0.306 0.000 2.293 1053 Y HA -0.072 4.477 4.550 -0.002 0.000 0.291 1053 Y C 1.933 177.828 175.900 -0.009 0.000 1.137 1053 Y CA 0.863 58.999 58.100 0.061 0.000 1.202 1053 Y CB -1.487 37.021 38.460 0.079 0.000 0.990 1053 Y HN -0.186 nan 8.280 nan 0.000 0.537 1054 M N 0.262 119.501 119.600 -0.601 0.000 2.260 1054 M HA -0.212 4.267 4.480 -0.002 0.000 0.261 1054 M C 2.189 178.410 176.300 -0.131 0.000 1.066 1054 M CA 1.847 56.891 55.300 -0.427 0.000 1.082 1054 M CB -0.389 32.117 32.600 -0.157 0.000 1.388 1054 M HN 0.251 nan 8.290 nan 0.000 0.419 1055 R N 1.932 122.363 120.500 -0.114 0.000 2.081 1055 R HA -0.132 4.207 4.340 -0.002 0.000 0.235 1055 R C 1.966 178.041 176.300 -0.374 0.000 1.131 1055 R CA 1.463 57.347 56.100 -0.360 0.000 0.960 1055 R CB -0.950 28.908 30.300 -0.735 0.000 0.856 1055 R HN 0.566 nan 8.270 nan 0.000 0.436 1056 I N -0.652 119.639 120.570 -0.465 0.000 2.830 1056 I HA -0.111 4.058 4.170 -0.002 0.000 0.263 1056 I C 0.692 176.616 176.117 -0.321 0.000 1.230 1056 I CA 1.442 62.496 61.300 -0.409 0.000 1.480 1056 I CB -0.533 37.202 38.000 -0.442 0.000 1.095 1056 I HN 0.135 nan 8.210 nan 0.000 0.455 1057 R N 0.065 120.330 120.500 -0.392 0.000 2.297 1057 R HA 0.219 4.558 4.340 -0.002 0.000 0.197 1057 R C 1.938 177.929 176.300 -0.516 0.000 0.943 1057 R CA 0.470 56.217 56.100 -0.589 0.000 1.038 1057 R CB -0.007 29.647 30.300 -1.078 0.000 0.957 1057 R HN 0.385 nan 8.270 nan 0.000 0.484 1058 M N 0.222 119.698 119.600 -0.207 0.000 2.435 1058 M HA 0.072 4.551 4.480 -0.002 0.000 0.265 1058 M C 1.215 177.571 176.300 0.093 0.000 1.104 1058 M CA 0.396 55.732 55.300 0.060 0.000 1.140 1058 M CB 0.264 32.905 32.600 0.068 0.000 1.372 1058 M HN 0.117 nan 8.290 nan 0.000 0.456 1059 G N 0.856 109.629 108.800 -0.045 0.000 2.606 1059 G HA2 0.079 4.038 3.960 -0.002 0.000 0.252 1059 G HA3 0.079 4.038 3.960 -0.002 0.000 0.252 1059 G C -0.337 174.421 174.900 -0.236 0.000 1.206 1059 G CA -0.550 44.497 45.100 -0.087 0.000 0.861 1059 G HN 0.076 nan 8.290 nan 0.000 0.561 1060 K N 1.118 121.220 120.400 -0.496 0.000 2.436 1060 K HA 0.076 4.395 4.320 -0.002 0.000 0.275 1060 K C -2.055 174.212 176.600 -0.555 0.000 0.999 1060 K CA -0.858 54.844 56.287 -0.975 0.000 0.980 1060 K CB 0.351 32.465 32.500 -0.642 0.000 0.919 1060 K HN 0.079 nan 8.250 nan 0.000 0.484 1061 P HA 0.006 nan 4.420 nan 0.000 0.261 1061 P C -1.064 176.124 177.300 -0.188 0.000 1.183 1061 P CA 0.363 63.312 63.100 -0.252 0.000 0.761 1061 P CB 0.424 32.020 31.700 -0.174 0.000 0.785 1062 D N 3.365 123.676 120.400 -0.148 0.000 2.780 1062 D HA 0.294 4.933 4.640 -0.002 0.000 0.242 1062 D C -1.986 174.260 176.300 -0.090 0.000 1.135 1062 D CA -2.424 51.508 54.000 -0.114 0.000 0.859 1062 D CB 1.528 42.259 40.800 -0.115 0.000 1.530 1062 D HN -0.006 nan 8.370 nan 0.000 0.493 1063 P HA -0.083 nan 4.420 nan 0.000 0.220 1063 P C 0.977 178.244 177.300 -0.056 0.000 1.148 1063 P CA 1.033 64.098 63.100 -0.058 0.000 0.803 1063 P CB 0.273 31.944 31.700 -0.048 0.000 0.782 1064 S N -2.947 112.717 115.700 -0.060 0.000 2.425 1064 S HA -0.038 4.431 4.470 -0.002 0.000 0.225 1064 S C 2.035 176.597 174.600 -0.064 0.000 1.024 1064 S CA 1.178 59.344 58.200 -0.056 0.000 0.951 1064 S CB -1.562 61.607 63.200 -0.051 0.000 0.796 1064 S HN 0.014 nan 8.310 nan 0.000 0.498 1065 T N 2.345 116.852 114.554 -0.079 0.000 2.777 1065 T HA 0.148 4.497 4.350 -0.002 0.000 0.266 1065 T C 1.904 176.550 174.700 -0.090 0.000 1.040 1065 T CA 1.315 63.356 62.100 -0.097 0.000 1.141 1065 T CB -0.707 68.087 68.868 -0.124 0.000 0.868 1065 T HN 0.596 nan 8.240 nan 0.000 0.444 1066 A N 0.596 123.367 122.820 -0.080 0.000 2.216 1066 A HA 0.313 4.632 4.320 -0.002 0.000 0.214 1066 A C 2.389 179.942 177.584 -0.052 0.000 1.160 1066 A CA 1.458 53.455 52.037 -0.066 0.000 0.725 1066 A CB -0.656 18.308 19.000 -0.059 0.000 0.784 1066 A HN 0.525 nan 8.150 nan 0.000 0.472 1067 A N -0.523 122.266 122.820 -0.053 0.000 1.897 1067 A HA 0.163 4.482 4.320 -0.002 0.000 0.215 1067 A C 1.976 179.532 177.584 -0.046 0.000 1.181 1067 A CA 1.585 53.595 52.037 -0.045 0.000 0.620 1067 A CB -0.378 18.594 19.000 -0.046 0.000 0.821 1067 A HN 0.626 nan 8.150 nan 0.000 0.443 1068 L N -1.201 119.989 121.223 -0.056 0.000 2.292 1068 L HA 0.480 4.819 4.340 -0.002 0.000 0.196 1068 L C 2.515 179.355 176.870 -0.050 0.000 1.246 1068 L CA 1.569 56.374 54.840 -0.058 0.000 0.864 1068 L CB -1.198 40.818 42.059 -0.071 0.000 1.044 1068 L HN 0.306 nan 8.230 nan 0.000 0.504 1069 A N -0.624 122.159 122.820 -0.062 0.000 2.007 1069 A HA -0.267 4.051 4.320 -0.002 0.000 0.214 1069 A C 0.363 177.904 177.584 -0.071 0.000 1.302 1069 A CA 1.923 53.917 52.037 -0.072 0.000 0.770 1069 A CB -1.038 17.883 19.000 -0.132 0.000 0.831 1069 A HN 0.717 nan 8.150 nan 0.000 0.491 1070 Q N -3.006 116.743 119.800 -0.084 0.000 2.334 1070 Q HA 0.120 4.459 4.340 -0.002 0.000 0.295 1070 Q C -0.328 175.611 176.000 -0.102 0.000 1.179 1070 Q CA 0.615 56.379 55.803 -0.066 0.000 0.704 1070 Q CB -1.683 27.037 28.738 -0.030 0.000 0.828 1070 Q HN 1.585 nan 8.270 nan 0.000 0.317 1071 A N 2.668 125.431 122.820 -0.095 0.000 2.507 1071 A HA 0.324 4.643 4.320 -0.002 0.000 0.235 1071 A C -0.591 176.976 177.584 -0.027 0.000 1.070 1071 A CA 0.005 51.975 52.037 -0.110 0.000 0.768 1071 A CB 0.232 19.246 19.000 0.023 0.000 1.011 1071 A HN 0.504 nan 8.150 nan 0.000 0.502 1072 Y N 0.599 120.928 120.300 0.049 0.000 2.610 1072 Y HA 0.110 4.659 4.550 -0.002 0.000 0.332 1072 Y C 1.304 177.202 175.900 -0.004 0.000 1.201 1072 Y CA 0.237 58.335 58.100 -0.004 0.000 1.465 1072 Y CB 0.495 38.921 38.460 -0.057 0.000 1.283 1072 Y HN 0.602 nan 8.280 nan 0.000 0.563 1073 T N 6.581 121.220 114.554 0.142 0.000 2.814 1073 T HA 0.147 4.496 4.350 -0.002 0.000 0.297 1073 T C -2.375 172.285 174.700 -0.066 0.000 0.956 1073 T CA -1.358 60.763 62.100 0.036 0.000 1.123 1073 T CB 0.522 69.414 68.868 0.040 0.000 0.902 1073 T HN 0.292 nan 8.240 nan 0.000 0.528 1074 P HA 0.238 nan 4.420 nan 0.000 0.268 1074 P C 1.008 178.225 177.300 -0.137 0.000 1.204 1074 P CA 0.533 63.479 63.100 -0.257 0.000 0.768 1074 P CB 0.391 31.849 31.700 -0.403 0.000 0.842 1075 G N 0.911 109.640 108.800 -0.118 0.000 2.162 1075 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.260 1075 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.260 1075 G C -0.019 174.851 174.900 -0.050 0.000 0.976 1075 G CA -0.231 44.826 45.100 -0.072 0.000 0.655 1075 G HN 0.524 nan 8.290 nan 0.000 0.533 1076 Q N 0.337 120.104 119.800 -0.055 0.000 2.345 1076 Q HA 0.479 4.817 4.340 -0.002 0.000 0.268 1076 Q C -2.401 173.562 176.000 -0.062 0.000 1.054 1076 Q CA -2.055 53.727 55.803 -0.034 0.000 0.835 1076 Q CB 2.286 31.016 28.738 -0.012 0.000 1.339 1076 Q HN 0.257 nan 8.270 nan 0.000 0.447 1077 P HA 0.032 nan 4.420 nan 0.000 0.266 1077 P C -0.035 177.147 177.300 -0.197 0.000 1.195 1077 P CA 0.199 63.251 63.100 -0.079 0.000 0.768 1077 P CB 0.598 32.304 31.700 0.010 0.000 0.838 1078 I N 2.386 122.723 120.570 -0.389 0.000 2.668 1078 I HA -0.070 4.098 4.170 -0.002 0.000 0.285 1078 I C 1.123 176.920 176.117 -0.532 0.000 1.168 1078 I CA 0.537 61.305 61.300 -0.887 0.000 1.424 1078 I CB -0.104 37.190 38.000 -1.176 0.000 1.377 1078 I HN 0.293 nan 8.210 nan 0.000 0.560 1079 Q N 4.125 123.732 119.800 -0.322 0.000 2.230 1079 Q HA 0.771 5.110 4.340 -0.002 0.000 0.248 1079 Q C 0.163 176.201 176.000 0.062 0.000 0.915 1079 Q CA -0.275 55.541 55.803 0.022 0.000 0.900 1079 Q CB 2.073 30.899 28.738 0.147 0.000 1.229 1079 Q HN 0.821 nan 8.270 nan 0.000 0.439 1080 G N -0.066 108.858 108.800 0.207 0.000 2.488 1080 G HA2 0.319 4.278 3.960 -0.002 0.000 0.301 1080 G HA3 0.319 4.278 3.960 -0.002 0.000 0.301 1080 G C -1.877 173.194 174.900 0.285 0.000 1.339 1080 G CA -0.782 44.507 45.100 0.315 0.000 0.803 1080 G HN 0.419 nan 8.290 nan 0.000 0.482 1081 Y N 0.251 120.852 120.300 0.500 0.000 2.402 1081 Y HA 0.496 5.045 4.550 -0.002 0.000 0.333 1081 Y C 1.120 177.261 175.900 0.402 0.000 1.076 1081 Y CA 1.209 59.586 58.100 0.460 0.000 1.299 1081 Y CB 1.656 40.400 38.460 0.473 0.000 1.197 1081 Y HN 0.748 nan 8.280 nan 0.000 0.517 1082 G N 1.353 110.473 108.800 0.534 0.000 2.708 1082 G HA2 0.529 4.487 3.960 -0.002 0.000 0.289 1082 G HA3 0.529 4.487 3.960 -0.002 0.000 0.289 1082 G C -1.988 173.188 174.900 0.460 0.000 1.416 1082 G CA -0.800 44.545 45.100 0.408 0.000 0.829 1082 G HN 0.587 nan 8.290 nan 0.000 0.480 1083 V N -0.388 119.758 119.914 0.386 0.000 2.540 1083 V HA 0.889 5.008 4.120 -0.002 0.000 0.302 1083 V C -0.588 175.659 176.094 0.255 0.000 1.035 1083 V CA -0.262 62.260 62.300 0.369 0.000 0.873 1083 V CB 1.518 33.563 31.823 0.371 0.000 0.992 1083 V HN 0.912 nan 8.190 nan 0.000 0.428 1084 S N 5.632 121.440 115.700 0.180 0.000 2.595 1084 S HA 0.664 5.133 4.470 -0.002 0.000 0.281 1084 S C -1.005 173.630 174.600 0.059 0.000 1.117 1084 S CA -0.818 57.430 58.200 0.081 0.000 0.873 1084 S CB 2.042 65.267 63.200 0.041 0.000 1.108 1084 S HN 0.948 nan 8.310 nan 0.000 0.477 1085 R N 1.621 122.130 120.500 0.016 0.000 2.393 1085 R HA 0.411 4.750 4.340 -0.002 0.000 0.310 1085 R C -0.800 175.507 176.300 0.011 0.000 0.968 1085 R CA -0.666 55.448 56.100 0.023 0.000 0.867 1085 R CB 0.439 30.749 30.300 0.017 0.000 1.124 1085 R HN 0.561 nan 8.270 nan 0.000 0.450 1086 I N 7.235 127.822 120.570 0.029 0.000 2.574 1086 I HA -0.107 4.062 4.170 -0.002 0.000 0.291 1086 I C 1.536 177.678 176.117 0.041 0.000 1.131 1086 I CA 0.284 61.599 61.300 0.026 0.000 1.352 1086 I CB -0.205 37.832 38.000 0.061 0.000 1.431 1086 I HN 0.667 nan 8.210 nan 0.000 0.543 1087 I N 4.558 125.158 120.570 0.049 0.000 2.330 1087 I HA -0.031 4.138 4.170 -0.002 0.000 0.229 1087 I C 1.317 177.465 176.117 0.053 0.000 1.063 1087 I CA 1.226 62.568 61.300 0.070 0.000 1.367 1087 I CB -0.375 37.697 38.000 0.122 0.000 1.158 1087 I HN 0.455 nan 8.210 nan 0.000 0.411 1088 E N 0.622 120.849 120.200 0.046 0.000 2.232 1088 E HA 0.431 4.780 4.350 -0.002 0.000 0.264 1088 E C -0.801 175.819 176.600 0.033 0.000 0.973 1088 E CA -0.268 56.154 56.400 0.036 0.000 0.849 1088 E CB 2.107 31.824 29.700 0.028 0.000 1.198 1088 E HN 0.073 nan 8.360 nan 0.000 0.407 1089 S N -0.717 115.008 115.700 0.042 0.000 2.614 1089 S HA 0.511 4.980 4.470 -0.002 0.000 0.275 1089 S C -0.157 174.481 174.600 0.064 0.000 1.161 1089 S CA -0.385 57.849 58.200 0.057 0.000 0.969 1089 S CB 0.946 64.205 63.200 0.098 0.000 1.059 1089 S HN 0.518 nan 8.310 nan 0.000 0.482 1090 G N 3.006 111.842 108.800 0.060 0.000 3.609 1090 G HA2 0.226 4.185 3.960 -0.002 0.000 0.280 1090 G HA3 0.226 4.185 3.960 -0.002 0.000 0.280 1090 G C -0.022 174.919 174.900 0.068 0.000 1.155 1090 G CA -0.079 45.049 45.100 0.047 0.000 0.876 1090 G HN 0.713 nan 8.290 nan 0.000 0.535 1091 H N 0.181 119.276 119.070 0.042 0.000 2.572 1091 H HA 0.348 4.903 4.556 -0.002 0.000 0.359 1091 H C -1.889 173.500 175.328 0.103 0.000 1.134 1091 H CA -1.657 54.440 56.048 0.082 0.000 1.187 1091 H CB 2.970 32.808 29.762 0.128 0.000 1.597 1091 H HN -0.127 nan 8.280 nan 0.000 0.524 1092 P HA -0.160 nan 4.420 nan 0.000 0.211 1092 P C 0.441 177.873 177.300 0.219 0.000 1.181 1092 P CA 1.730 64.912 63.100 0.137 0.000 0.929 1092 P CB 0.186 31.888 31.700 0.004 0.000 0.789 1093 D N -2.378 118.216 120.400 0.324 0.000 2.538 1093 D HA -0.004 4.635 4.640 -0.002 0.000 0.234 1093 D C -0.623 175.422 176.300 -0.425 0.000 1.191 1093 D CA 0.057 54.027 54.000 -0.050 0.000 0.828 1093 D CB -0.449 40.273 40.800 -0.129 0.000 0.981 1093 D HN 0.266 nan 8.370 nan 0.000 0.490 1094 Y N 0.389 120.723 120.300 0.057 0.000 2.361 1094 Y HA 0.310 4.859 4.550 -0.002 0.000 0.328 1094 Y C -0.027 175.889 175.900 0.026 0.000 1.044 1094 Y CA -1.098 56.992 58.100 -0.016 0.000 1.085 1094 Y CB 1.852 40.246 38.460 -0.109 0.000 1.194 1094 Y HN -0.249 nan 8.280 nan 0.000 0.438 1095 K N 1.136 121.619 120.400 0.139 0.000 2.346 1095 K HA 0.557 4.876 4.320 -0.002 0.000 0.238 1095 K C -1.017 175.636 176.600 0.088 0.000 1.039 1095 K CA -1.326 55.018 56.287 0.095 0.000 0.861 1095 K CB 1.113 33.645 32.500 0.053 0.000 1.278 1095 K HN 0.318 nan 8.250 nan 0.000 0.460 1096 K N 0.518 120.956 120.400 0.063 0.000 2.489 1096 K HA 0.207 4.526 4.320 -0.002 0.000 0.278 1096 K C 0.781 177.410 176.600 0.049 0.000 1.000 1096 K CA 1.078 57.398 56.287 0.054 0.000 1.012 1096 K CB 0.090 32.615 32.500 0.042 0.000 0.903 1096 K HN 0.837 nan 8.250 nan 0.000 0.485 1097 G N 1.981 110.810 108.800 0.048 0.000 2.234 1097 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.235 1097 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.235 1097 G C -0.048 174.880 174.900 0.047 0.000 0.997 1097 G CA -0.182 44.943 45.100 0.042 0.000 0.623 1097 G HN 0.667 nan 8.290 nan 0.000 0.514 1098 D N 0.598 121.036 120.400 0.064 0.000 2.372 1098 D HA 0.499 5.138 4.640 -0.002 0.000 0.243 1098 D C 0.652 177.007 176.300 0.091 0.000 1.121 1098 D CA 0.355 54.402 54.000 0.079 0.000 0.898 1098 D CB 0.869 41.742 40.800 0.121 0.000 1.202 1098 D HN 0.307 nan 8.370 nan 0.000 0.428 1099 L N 2.418 123.691 121.223 0.084 0.000 2.334 1099 L HA 0.582 4.920 4.340 -0.002 0.000 0.276 1099 L C -0.207 176.740 176.870 0.129 0.000 1.014 1099 L CA -0.778 54.113 54.840 0.084 0.000 0.815 1099 L CB 1.977 44.058 42.059 0.035 0.000 1.268 1099 L HN 0.153 nan 8.230 nan 0.000 0.428 1100 L N 3.293 124.607 121.223 0.152 0.000 2.445 1100 L HA 0.661 5.000 4.340 -0.002 0.000 0.262 1100 L C -1.692 175.350 176.870 0.287 0.000 0.974 1100 L CA -0.341 54.616 54.840 0.195 0.000 0.822 1100 L CB 2.236 44.355 42.059 0.102 0.000 1.339 1100 L HN 0.782 nan 8.230 nan 0.000 0.409 1101 W N 4.510 125.936 121.300 0.211 0.000 2.864 1101 W HA 0.903 5.562 4.660 -0.002 0.000 0.343 1101 W C -0.613 176.132 176.519 0.377 0.000 1.109 1101 W CA -0.371 57.140 57.345 0.277 0.000 1.192 1101 W CB 1.333 30.967 29.460 0.291 0.000 1.426 1101 W HN 0.897 nan 8.180 nan 0.000 0.529 1102 G N 1.292 110.428 108.800 0.560 0.000 2.344 1102 G HA2 0.343 4.302 3.960 -0.002 0.000 0.282 1102 G HA3 0.343 4.302 3.960 -0.002 0.000 0.282 1102 G C -2.005 173.091 174.900 0.328 0.000 1.281 1102 G CA -0.818 44.438 45.100 0.259 0.000 0.877 1102 G HN 0.752 nan 8.290 nan 0.000 0.494 1103 I N 0.523 121.060 120.570 -0.055 0.000 2.325 1103 I HA 0.654 4.822 4.170 -0.002 0.000 0.291 1103 I C 0.487 176.712 176.117 0.179 0.000 1.019 1103 I CA -1.094 60.166 61.300 -0.065 0.000 1.302 1103 I CB 1.142 38.980 38.000 -0.269 0.000 1.401 1103 I HN 0.665 nan 8.210 nan 0.000 0.485 1104 V N 2.271 122.297 119.914 0.187 0.000 3.040 1104 V HA 0.973 5.092 4.120 -0.002 0.000 0.312 1104 V C 0.251 176.472 176.094 0.212 0.000 1.115 1104 V CA -1.034 61.380 62.300 0.189 0.000 0.998 1104 V CB 1.358 33.287 31.823 0.176 0.000 1.042 1104 V HN 0.987 nan 8.190 nan 0.000 0.433 1105 A N 1.546 124.470 122.820 0.174 0.000 2.386 1105 A HA 0.529 4.848 4.320 -0.002 0.000 0.248 1105 A C -0.600 177.169 177.584 0.308 0.000 1.082 1105 A CA -0.244 51.910 52.037 0.195 0.000 0.789 1105 A CB 0.031 19.103 19.000 0.119 0.000 1.025 1105 A HN 0.926 nan 8.150 nan 0.000 0.490 1106 W N 1.847 123.128 121.300 -0.031 0.000 2.290 1106 W HA 0.426 5.085 4.660 -0.001 0.000 0.408 1106 W C 0.723 177.227 176.519 -0.025 0.000 0.966 1106 W CA 0.100 57.421 57.345 -0.039 0.000 1.579 1106 W CB -0.476 28.927 29.460 -0.095 0.000 1.662 1106 W HN 0.841 nan 8.180 nan 0.000 0.341 1107 E N -0.736 119.537 120.200 0.122 0.000 2.377 1107 E HA 0.260 4.609 4.350 -0.002 0.000 0.266 1107 E C -0.004 176.600 176.600 0.006 0.000 1.111 1107 E CA -0.726 55.724 56.400 0.083 0.000 0.889 1107 E CB 1.026 30.793 29.700 0.111 0.000 1.644 1107 E HN 0.119 nan 8.360 nan 0.000 0.464 1108 E N -0.669 119.542 120.200 0.017 0.000 2.166 1108 E HA 0.094 4.443 4.350 -0.002 0.000 0.192 1108 E C -0.381 175.973 176.600 -0.411 0.000 0.967 1108 E CA 0.707 57.025 56.400 -0.137 0.000 0.840 1108 E CB 0.311 30.016 29.700 0.008 0.000 0.795 1108 E HN 0.260 nan 8.360 nan 0.000 0.470 1109 Y N -0.110 120.198 120.300 0.014 0.000 2.442 1109 Y HA 0.358 4.907 4.550 -0.002 0.000 0.344 1109 Y C -0.610 175.298 175.900 0.013 0.000 0.976 1109 Y CA -0.811 57.294 58.100 0.008 0.000 1.040 1109 Y CB 2.481 40.944 38.460 0.005 0.000 1.228 1109 Y HN -0.272 nan 8.280 nan 0.000 0.451 1110 S N 1.716 117.485 115.700 0.115 0.000 2.668 1110 S HA 0.406 4.874 4.470 -0.002 0.000 0.277 1110 S C -1.192 173.430 174.600 0.035 0.000 1.170 1110 S CA -0.791 57.451 58.200 0.069 0.000 0.994 1110 S CB 1.398 64.624 63.200 0.043 0.000 1.051 1110 S HN 0.333 nan 8.310 nan 0.000 0.484 1111 V N 5.131 125.063 119.914 0.030 0.000 2.455 1111 V HA 0.450 4.569 4.120 -0.002 0.000 0.273 1111 V C 0.225 176.300 176.094 -0.032 0.000 1.045 1111 V CA -0.213 62.085 62.300 -0.003 0.000 0.976 1111 V CB 0.159 31.985 31.823 0.006 0.000 0.993 1111 V HN 0.796 nan 8.190 nan 0.000 0.475 1112 I N 1.754 122.269 120.570 -0.091 0.000 2.828 1112 I HA 0.681 4.850 4.170 -0.002 0.000 0.302 1112 I C -0.357 175.661 176.117 -0.166 0.000 1.101 1112 I CA -0.518 60.700 61.300 -0.137 0.000 1.031 1112 I CB 2.713 40.555 38.000 -0.263 0.000 1.231 1112 I HN 0.376 nan 8.210 nan 0.000 0.427 1113 T N 4.402 118.886 114.554 -0.116 0.000 2.947 1113 T HA 0.403 4.752 4.350 -0.002 0.000 0.337 1113 T C -2.523 172.126 174.700 -0.086 0.000 1.139 1113 T CA -1.072 60.983 62.100 -0.075 0.000 0.992 1113 T CB 0.481 69.341 68.868 -0.012 0.000 1.043 1113 T HN 0.455 nan 8.240 nan 0.000 0.498 1114 P HA 0.188 nan 4.420 nan 0.000 0.261 1114 P C -0.426 176.894 177.300 0.034 0.000 1.203 1114 P CA -0.071 62.904 63.100 -0.208 0.000 0.767 1114 P CB 0.325 31.696 31.700 -0.547 0.000 0.785 1115 M N 2.090 121.756 119.600 0.109 0.000 2.456 1115 M HA 0.196 4.675 4.480 -0.002 0.000 0.324 1115 M C 1.548 177.755 176.300 -0.154 0.000 1.124 1115 M CA -0.510 54.779 55.300 -0.017 0.000 0.959 1115 M CB 1.289 33.874 32.600 -0.025 0.000 1.692 1115 M HN 0.238 nan 8.290 nan 0.000 0.444 1116 T N 0.456 114.918 114.554 -0.153 0.000 2.620 1116 T HA -0.198 4.151 4.350 -0.002 0.000 0.267 1116 T C 0.907 175.515 174.700 -0.152 0.000 1.044 1116 T CA 1.884 63.886 62.100 -0.163 0.000 1.161 1116 T CB -0.361 68.401 68.868 -0.176 0.000 0.862 1116 T HN 0.551 nan 8.240 nan 0.000 0.438 1117 H N -0.121 118.871 119.070 -0.129 0.000 2.488 1117 H HA 0.753 5.308 4.556 -0.002 0.000 0.294 1117 H C 1.373 176.708 175.328 0.011 0.000 1.088 1117 H CA -0.419 55.686 56.048 0.095 0.000 1.086 1117 H CB -0.260 29.737 29.762 0.392 0.000 1.569 1117 H HN 0.468 nan 8.280 nan 0.000 0.548 1118 A N -0.315 122.307 122.820 -0.331 0.000 1.988 1118 A HA 0.143 4.462 4.320 -0.002 0.000 0.201 1118 A C 0.280 177.264 177.584 -1.000 0.000 1.410 1118 A CA 0.269 52.023 52.037 -0.472 0.000 0.832 1118 A CB 0.589 19.308 19.000 -0.469 0.000 0.981 1118 A HN 0.246 nan 8.150 nan 0.000 0.492 1119 H N -1.351 117.220 119.070 -0.831 0.000 2.600 1119 H HA 0.570 5.125 4.556 -0.002 0.000 0.357 1119 H C -1.898 172.682 175.328 -1.247 0.000 1.106 1119 H CA -0.646 54.914 56.048 -0.814 0.000 1.193 1119 H CB 1.269 30.768 29.762 -0.439 0.000 1.594 1119 H HN 0.255 nan 8.280 nan 0.000 0.526 1120 F N 1.029 120.680 119.950 -0.497 0.000 2.518 1120 F HA 0.278 4.804 4.527 -0.002 0.000 0.323 1120 F C 0.574 176.290 175.800 -0.140 0.000 1.129 1120 F CA -0.904 56.834 58.000 -0.436 0.000 0.920 1120 F CB 1.822 40.269 39.000 -0.922 0.000 1.160 1120 F HN 0.197 nan 8.300 nan 0.000 0.440 1121 K N 3.458 123.974 120.400 0.193 0.000 2.368 1121 K HA 0.390 4.708 4.320 -0.002 0.000 0.282 1121 K C -0.466 176.282 176.600 0.247 0.000 1.035 1121 K CA -0.185 56.212 56.287 0.182 0.000 0.973 1121 K CB 0.553 33.052 32.500 -0.003 0.000 0.957 1121 K HN 0.648 nan 8.250 nan 0.000 0.474 1122 I N 5.095 125.756 120.570 0.152 0.000 2.379 1122 I HA -0.024 4.145 4.170 -0.002 0.000 0.290 1122 I C 0.693 176.861 176.117 0.086 0.000 1.063 1122 I CA -0.024 61.308 61.300 0.054 0.000 1.351 1122 I CB 1.355 39.202 38.000 -0.254 0.000 1.410 1122 I HN 0.701 nan 8.210 nan 0.000 0.505 1123 Q N 3.251 123.164 119.800 0.188 0.000 2.373 1123 Q HA 0.105 4.444 4.340 -0.002 0.000 0.210 1123 Q C -0.511 175.410 176.000 -0.131 0.000 0.913 1123 Q CA 0.819 56.622 55.803 0.001 0.000 0.911 1123 Q CB 0.358 29.048 28.738 -0.079 0.000 1.040 1123 Q HN 0.595 nan 8.270 nan 0.000 0.521 1124 H N -1.101 118.056 119.070 0.144 0.000 2.511 1124 H HA 0.459 5.014 4.556 -0.002 0.000 0.328 1124 H C -0.630 174.795 175.328 0.161 0.000 1.044 1124 H CA -0.399 55.733 56.048 0.139 0.000 1.212 1124 H CB 1.500 31.350 29.762 0.146 0.000 1.428 1124 H HN -0.196 nan 8.280 nan 0.000 0.483 1125 T N 2.755 117.413 114.554 0.174 0.000 3.416 1125 T HA 0.117 4.466 4.350 -0.002 0.000 0.245 1125 T C 0.175 174.923 174.700 0.081 0.000 1.081 1125 T CA -0.353 61.820 62.100 0.122 0.000 1.190 1125 T CB -0.036 68.870 68.868 0.064 0.000 1.068 1125 T HN 0.634 nan 8.240 nan 0.000 0.580 1126 D N 0.703 121.159 120.400 0.093 0.000 2.454 1126 D HA 0.098 4.737 4.640 -0.002 0.000 0.219 1126 D C 1.189 177.481 176.300 -0.015 0.000 1.081 1126 D CA 0.421 54.444 54.000 0.037 0.000 0.867 1126 D CB 0.912 41.741 40.800 0.049 0.000 1.054 1126 D HN 0.443 nan 8.370 nan 0.000 0.500 1127 V N -0.189 119.722 119.914 -0.006 0.000 2.837 1127 V HA 0.521 4.640 4.120 -0.002 0.000 0.310 1127 V C -2.626 173.366 176.094 -0.170 0.000 1.059 1127 V CA -2.178 60.040 62.300 -0.136 0.000 1.004 1127 V CB 0.812 32.594 31.823 -0.067 0.000 1.045 1127 V HN -0.253 nan 8.190 nan 0.000 0.465 1128 P HA 0.073 nan 4.420 nan 0.000 0.262 1128 P C 0.485 177.733 177.300 -0.088 0.000 1.182 1128 P CA -0.062 62.839 63.100 -0.332 0.000 0.761 1128 P CB 0.386 31.733 31.700 -0.588 0.000 0.795 1129 L N 3.549 124.761 121.223 -0.019 0.000 2.265 1129 L HA -0.161 4.178 4.340 -0.002 0.000 0.215 1129 L C 2.045 178.861 176.870 -0.090 0.000 1.117 1129 L CA 2.007 56.889 54.840 0.070 0.000 0.782 1129 L CB -1.282 40.820 42.059 0.072 0.000 0.914 1129 L HN 0.404 nan 8.230 nan 0.000 0.441 1130 S N -2.818 112.615 115.700 -0.446 0.000 2.522 1130 S HA -0.134 4.335 4.470 -0.002 0.000 0.227 1130 S C 1.860 176.506 174.600 0.077 0.000 0.986 1130 S CA 0.139 58.051 58.200 -0.481 0.000 0.929 1130 S CB -0.653 62.186 63.200 -0.601 0.000 0.769 1130 S HN 0.351 nan 8.310 nan 0.000 0.529 1131 Y N 1.077 121.337 120.300 -0.066 0.000 2.483 1131 Y HA 0.080 4.629 4.550 -0.002 0.000 0.291 1131 Y C 1.038 176.735 175.900 -0.339 0.000 1.143 1131 Y CA -0.362 57.653 58.100 -0.142 0.000 1.289 1131 Y CB -0.924 37.392 38.460 -0.240 0.000 0.983 1131 Y HN 0.411 nan 8.280 nan 0.000 0.556 1132 Y N -0.689 119.562 120.300 -0.083 0.000 2.462 1132 Y HA 0.025 4.574 4.550 -0.002 0.000 0.293 1132 Y C 1.889 177.558 175.900 -0.386 0.000 1.195 1132 Y CA 0.774 58.682 58.100 -0.321 0.000 1.276 1132 Y CB -0.188 38.164 38.460 -0.179 0.000 1.082 1132 Y HN 0.110 nan 8.280 nan 0.000 0.514 1133 T N -5.211 109.299 114.554 -0.073 0.000 3.003 1133 T HA 0.435 4.784 4.350 -0.002 0.000 0.261 1133 T C 1.201 175.863 174.700 -0.064 0.000 1.003 1133 T CA 0.448 62.543 62.100 -0.007 0.000 0.917 1133 T CB 0.300 69.254 68.868 0.142 0.000 1.084 1133 T HN 0.229 nan 8.240 nan 0.000 0.522 1134 G N 1.443 110.163 108.800 -0.134 0.000 2.890 1134 G HA2 0.417 4.376 3.960 -0.002 0.000 0.199 1134 G HA3 0.417 4.376 3.960 -0.002 0.000 0.199 1134 G C 0.698 175.369 174.900 -0.381 0.000 1.729 1134 G CA 0.038 45.052 45.100 -0.143 0.000 0.767 1134 G HN 0.199 nan 8.290 nan 0.000 0.804 1135 L N 0.322 121.093 121.223 -0.753 0.000 2.103 1135 L HA 0.007 4.346 4.340 -0.002 0.000 0.215 1135 L C 2.092 178.754 176.870 -0.347 0.000 1.080 1135 L CA 1.840 56.230 54.840 -0.749 0.000 0.764 1135 L CB -0.184 41.040 42.059 -1.392 0.000 0.890 1135 L HN 0.324 nan 8.230 nan 0.000 0.435 1136 L N -1.816 119.150 121.223 -0.429 0.000 2.808 1136 L HA 0.364 4.703 4.340 -0.002 0.000 0.246 1136 L C 1.052 177.783 176.870 -0.232 0.000 1.153 1136 L CA 0.010 54.668 54.840 -0.303 0.000 0.956 1136 L CB -0.066 41.502 42.059 -0.820 0.000 1.270 1136 L HN 0.301 nan 8.230 nan 0.000 0.528 1137 G N -0.978 107.505 108.800 -0.528 0.000 3.122 1137 G HA2 0.178 4.137 3.960 -0.002 0.000 0.180 1137 G HA3 0.178 4.137 3.960 -0.002 0.000 0.180 1137 G C 0.617 175.111 174.900 -0.677 0.000 1.279 1137 G CA -0.370 43.994 45.100 -1.227 0.000 0.987 1137 G HN -0.193 nan 8.290 nan 0.000 0.589 1138 M N 0.481 119.681 119.600 -0.667 0.000 2.080 1138 M HA -0.015 4.464 4.480 -0.002 0.000 0.260 1138 M C -0.616 175.563 176.300 -0.202 0.000 1.068 1138 M CA 1.772 56.914 55.300 -0.264 0.000 1.109 1138 M CB -1.539 30.724 32.600 -0.561 0.000 1.342 1138 M HN 0.134 nan 8.290 nan 0.000 0.405 1139 P HA -0.025 nan 4.420 nan 0.000 0.222 1139 P C 1.335 178.542 177.300 -0.155 0.000 1.147 1139 P CA 1.748 64.781 63.100 -0.111 0.000 0.790 1139 P CB -0.450 31.213 31.700 -0.063 0.000 0.780 1140 G N -0.593 108.068 108.800 -0.232 0.000 2.411 1140 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.213 1140 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.213 1140 G C 1.434 175.996 174.900 -0.563 0.000 1.166 1140 G CA 0.578 45.526 45.100 -0.252 0.000 0.802 1140 G HN 0.156 nan 8.290 nan 0.000 0.533 1141 M N 1.442 120.606 119.600 -0.727 0.000 2.358 1141 M HA 0.012 4.490 4.480 -0.002 0.000 0.264 1141 M C 2.337 178.519 176.300 -0.196 0.000 1.064 1141 M CA 1.482 56.400 55.300 -0.636 0.000 1.093 1141 M CB -0.577 31.911 32.600 -0.186 0.000 1.401 1141 M HN 0.142 nan 8.290 nan 0.000 0.440 1142 T N 0.118 114.625 114.554 -0.077 0.000 2.770 1142 T HA 0.001 4.350 4.350 -0.002 0.000 0.263 1142 T C 1.796 176.575 174.700 0.132 0.000 1.039 1142 T CA 1.487 63.665 62.100 0.130 0.000 1.142 1142 T CB -0.572 68.385 68.868 0.149 0.000 0.868 1142 T HN 0.544 nan 8.240 nan 0.000 0.435 1143 A N 0.173 122.970 122.820 -0.038 0.000 1.972 1143 A HA -0.087 4.232 4.320 -0.002 0.000 0.219 1143 A C 2.064 179.559 177.584 -0.149 0.000 1.169 1143 A CA 1.461 53.395 52.037 -0.171 0.000 0.635 1143 A CB -0.788 18.059 19.000 -0.256 0.000 0.810 1143 A HN 0.639 nan 8.150 nan 0.000 0.446 1144 Y N -0.095 120.049 120.300 -0.260 0.000 2.201 1144 Y HA 0.180 4.729 4.550 -0.002 0.000 0.292 1144 Y C 2.627 178.358 175.900 -0.281 0.000 1.119 1144 Y CA 1.078 59.041 58.100 -0.228 0.000 1.127 1144 Y CB -0.496 37.868 38.460 -0.161 0.000 1.019 1144 Y HN 0.257 nan 8.280 nan 0.000 0.514 1145 A N 0.133 122.754 122.820 -0.332 0.000 1.902 1145 A HA -0.060 4.259 4.320 -0.002 0.000 0.217 1145 A C 2.358 179.329 177.584 -1.021 0.000 1.181 1145 A CA 1.747 53.282 52.037 -0.837 0.000 0.623 1145 A CB -1.635 16.782 19.000 -0.973 0.000 0.818 1145 A HN 0.610 nan 8.150 nan 0.000 0.443 1146 G N -1.919 106.411 108.800 -0.782 0.000 2.408 1146 G HA2 -0.064 3.895 3.960 -0.002 0.000 0.215 1146 G HA3 -0.064 3.895 3.960 -0.002 0.000 0.215 1146 G C 1.412 176.134 174.900 -0.296 0.000 1.156 1146 G CA 1.023 45.541 45.100 -0.971 0.000 0.793 1146 G HN 0.444 nan 8.290 nan 0.000 0.535 1147 F N -0.074 119.736 119.950 -0.233 0.000 2.219 1147 F HA 0.215 4.741 4.527 -0.002 0.000 0.294 1147 F C 2.215 177.808 175.800 -0.346 0.000 1.086 1147 F CA 0.505 58.351 58.000 -0.257 0.000 1.330 1147 F CB 0.140 38.868 39.000 -0.453 0.000 1.047 1147 F HN 0.110 nan 8.300 nan 0.000 0.495 1148 Y N 0.358 120.357 120.300 -0.502 0.000 2.347 1148 Y HA 0.033 4.582 4.550 -0.002 0.000 0.294 1148 Y C 2.373 177.954 175.900 -0.530 0.000 1.117 1148 Y CA 0.855 58.595 58.100 -0.600 0.000 1.184 1148 Y CB -0.596 37.450 38.460 -0.691 0.000 1.047 1148 Y HN 0.059 nan 8.280 nan 0.000 0.546 1149 E N -0.898 119.059 120.200 -0.404 0.000 2.166 1149 E HA 0.006 4.355 4.350 -0.002 0.000 0.192 1149 E C 2.054 178.470 176.600 -0.307 0.000 0.967 1149 E CA 0.888 57.079 56.400 -0.347 0.000 0.840 1149 E CB 0.097 29.532 29.700 -0.442 0.000 0.795 1149 E HN 0.248 nan 8.360 nan 0.000 0.470 1150 V N 0.004 119.666 119.914 -0.420 0.000 3.263 1150 V HA -0.044 4.074 4.120 -0.002 0.000 0.248 1150 V C 1.903 177.833 176.094 -0.273 0.000 1.145 1150 V CA 0.591 62.690 62.300 -0.334 0.000 1.107 1150 V CB 0.309 31.804 31.823 -0.546 0.000 0.797 1150 V HN 0.226 nan 8.190 nan 0.000 0.467 1151 C N 0.132 119.241 119.300 -0.319 0.000 2.697 1151 C HA 0.206 4.665 4.460 -0.002 0.000 0.267 1151 C C 1.635 176.470 174.990 -0.258 0.000 1.278 1151 C CA -0.318 58.546 59.018 -0.256 0.000 1.708 1151 C CB -1.367 26.218 27.740 -0.259 0.000 1.860 1151 C HN 0.599 nan 8.230 nan 0.000 0.589 1152 S N 1.846 117.390 115.700 -0.261 0.000 3.317 1152 S HA -0.140 4.329 4.470 -0.002 0.000 0.358 1152 S C -1.964 172.511 174.600 -0.208 0.000 0.945 1152 S CA 0.383 58.457 58.200 -0.209 0.000 1.279 1152 S CB -1.073 62.047 63.200 -0.133 0.000 0.905 1152 S HN 0.669 nan 8.310 nan 0.000 0.507 1153 P HA 0.364 nan 4.420 nan 0.000 0.275 1153 P C -0.516 176.721 177.300 -0.104 0.000 1.228 1153 P CA -0.260 62.682 63.100 -0.262 0.000 0.786 1153 P CB 0.792 32.105 31.700 -0.645 0.000 0.927 1154 K N 1.654 122.042 120.400 -0.019 0.000 2.375 1154 K HA 0.362 4.681 4.320 -0.002 0.000 0.249 1154 K C -0.015 176.621 176.600 0.059 0.000 0.942 1154 K CA -0.916 55.376 56.287 0.009 0.000 0.806 1154 K CB 1.592 34.094 32.500 0.003 0.000 1.227 1154 K HN 0.450 nan 8.250 nan 0.000 0.430 1155 E N 0.300 120.537 120.200 0.063 0.000 2.417 1155 E HA 0.209 4.557 4.350 -0.002 0.000 0.261 1155 E C 0.656 177.307 176.600 0.084 0.000 1.000 1155 E CA 0.926 57.377 56.400 0.086 0.000 0.919 1155 E CB 0.137 29.880 29.700 0.071 0.000 0.955 1155 E HN 0.868 nan 8.360 nan 0.000 0.455 1156 G N 3.152 112.017 108.800 0.107 0.000 2.238 1156 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.217 1156 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.217 1156 G C 0.154 175.135 174.900 0.134 0.000 0.996 1156 G CA -0.312 44.854 45.100 0.109 0.000 0.632 1156 G HN 0.537 nan 8.290 nan 0.000 0.503 1157 E N 1.563 121.846 120.200 0.139 0.000 2.408 1157 E HA 0.419 4.768 4.350 -0.002 0.000 0.259 1157 E C 0.729 177.464 176.600 0.224 0.000 1.110 1157 E CA 0.595 57.087 56.400 0.152 0.000 0.929 1157 E CB 0.483 30.259 29.700 0.126 0.000 0.971 1157 E HN 0.407 nan 8.360 nan 0.000 0.438 1158 T N -1.231 113.471 114.554 0.247 0.000 2.743 1158 T HA 0.389 4.738 4.350 -0.002 0.000 0.293 1158 T C -0.132 174.739 174.700 0.285 0.000 0.945 1158 T CA -0.889 61.456 62.100 0.409 0.000 1.030 1158 T CB 0.601 69.770 68.868 0.502 0.000 0.912 1158 T HN 0.084 nan 8.240 nan 0.000 0.483 1159 V N 4.222 124.346 119.914 0.351 0.000 2.547 1159 V HA 0.535 4.653 4.120 -0.002 0.000 0.299 1159 V C -0.984 175.374 176.094 0.440 0.000 1.040 1159 V CA -0.999 61.474 62.300 0.289 0.000 0.913 1159 V CB 1.459 33.402 31.823 0.200 0.000 0.992 1159 V HN 0.906 nan 8.190 nan 0.000 0.449 1160 Y N 3.639 124.105 120.300 0.275 0.000 2.391 1160 Y HA 0.726 5.275 4.550 -0.002 0.000 0.341 1160 Y C -0.818 175.359 175.900 0.461 0.000 0.965 1160 Y CA -1.231 57.109 58.100 0.400 0.000 1.067 1160 Y CB 2.037 40.628 38.460 0.219 0.000 1.199 1160 Y HN 0.353 nan 8.280 nan 0.000 0.450 1161 V N 5.962 125.740 119.914 -0.226 0.000 2.444 1161 V HA 0.480 4.599 4.120 -0.002 0.000 0.294 1161 V C -0.451 175.442 176.094 -0.334 0.000 1.022 1161 V CA -0.723 61.513 62.300 -0.107 0.000 0.850 1161 V CB 1.351 33.185 31.823 0.018 0.000 0.992 1161 V HN 0.854 nan 8.190 nan 0.000 0.426 1162 S N 3.222 118.832 115.700 -0.151 0.000 2.617 1162 S HA 0.755 5.223 4.470 -0.002 0.000 0.283 1162 S C 0.546 175.146 174.600 -0.001 0.000 1.189 1162 S CA -0.039 58.121 58.200 -0.066 0.000 1.036 1162 S CB 1.617 64.938 63.200 0.201 0.000 1.014 1162 S HN 2.395 nan 8.310 nan 0.000 0.522 1163 A N 0.168 123.012 122.820 0.041 0.000 2.416 1163 A HA 0.001 4.320 4.320 -0.002 0.000 0.293 1163 A C 1.170 178.721 177.584 -0.055 0.000 1.452 1163 A CA 0.392 52.461 52.037 0.053 0.000 0.738 1163 A CB -2.008 17.028 19.000 0.060 0.000 1.123 1163 A HN 2.057 nan 8.150 nan 0.000 0.389 1164 A N 0.320 123.055 122.820 -0.142 0.000 2.235 1164 A HA 0.348 4.667 4.320 -0.002 0.000 0.208 1164 A C 1.844 179.204 177.584 -0.373 0.000 1.172 1164 A CA 1.503 53.398 52.037 -0.237 0.000 0.786 1164 A CB -0.464 18.339 19.000 -0.329 0.000 0.804 1164 A HN 2.048 nan 8.150 nan 0.000 0.479 1165 S N -1.064 114.447 115.700 -0.316 0.000 2.557 1165 S HA 0.392 4.861 4.470 -0.002 0.000 0.223 1165 S C 0.963 175.428 174.600 -0.224 0.000 0.969 1165 S CA 0.091 58.074 58.200 -0.361 0.000 0.927 1165 S CB -0.113 62.918 63.200 -0.282 0.000 0.806 1165 S HN 0.540 nan 8.310 nan 0.000 0.489 1166 G N 0.534 109.246 108.800 -0.146 0.000 2.599 1166 G HA2 0.542 4.501 3.960 -0.002 0.000 0.264 1166 G HA3 0.542 4.501 3.960 -0.002 0.000 0.264 1166 G C 1.005 175.865 174.900 -0.067 0.000 1.200 1166 G CA -0.364 44.696 45.100 -0.067 0.000 0.896 1166 G HN 0.381 nan 8.290 nan 0.000 0.536 1167 A N -0.310 122.511 122.820 0.001 0.000 2.024 1167 A HA -0.026 4.293 4.320 -0.002 0.000 0.220 1167 A C 2.442 179.999 177.584 -0.044 0.000 1.164 1167 A CA 2.682 54.742 52.037 0.038 0.000 0.643 1167 A CB -0.566 18.487 19.000 0.087 0.000 0.806 1167 A HN 1.355 nan 8.150 nan 0.000 0.451 1168 V N -2.948 116.924 119.914 -0.070 0.000 2.599 1168 V HA 0.184 4.303 4.120 -0.002 0.000 0.245 1168 V C 2.235 178.167 176.094 -0.269 0.000 1.046 1168 V CA 1.560 63.774 62.300 -0.144 0.000 1.065 1168 V CB -1.236 30.555 31.823 -0.053 0.000 0.703 1168 V HN 0.326 nan 8.190 nan 0.000 0.464 1169 G N 1.198 109.869 108.800 -0.216 0.000 2.403 1169 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.216 1169 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.216 1169 G C 1.586 176.361 174.900 -0.208 0.000 1.154 1169 G CA 0.960 45.917 45.100 -0.238 0.000 0.784 1169 G HN 0.759 nan 8.290 nan 0.000 0.538 1170 Q N -0.409 119.228 119.800 -0.271 0.000 2.297 1170 Q HA 0.211 4.550 4.340 -0.002 0.000 0.204 1170 Q C 2.257 178.181 176.000 -0.128 0.000 0.962 1170 Q CA 0.516 56.092 55.803 -0.377 0.000 0.879 1170 Q CB -0.267 27.985 28.738 -0.810 0.000 0.947 1170 Q HN 0.426 nan 8.270 nan 0.000 0.462 1171 L N 0.409 121.553 121.223 -0.132 0.000 2.162 1171 L HA -0.049 4.290 4.340 -0.002 0.000 0.205 1171 L C 2.249 178.966 176.870 -0.254 0.000 1.086 1171 L CA 0.441 55.208 54.840 -0.121 0.000 0.778 1171 L CB -0.031 41.960 42.059 -0.114 0.000 0.928 1171 L HN 0.169 nan 8.230 nan 0.000 0.446 1172 V N 0.428 120.096 119.914 -0.409 0.000 2.252 1172 V HA -0.278 3.841 4.120 -0.002 0.000 0.249 1172 V C 2.613 178.306 176.094 -0.668 0.000 1.056 1172 V CA 2.130 64.035 62.300 -0.658 0.000 1.022 1172 V CB -1.229 30.035 31.823 -0.930 0.000 0.641 1172 V HN 0.636 nan 8.190 nan 0.000 0.445 1173 G N -1.808 106.710 108.800 -0.470 0.000 2.498 1173 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.219 1173 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.219 1173 G C 1.467 176.059 174.900 -0.512 0.000 1.119 1173 G CA 0.709 45.438 45.100 -0.620 0.000 0.766 1173 G HN 0.587 nan 8.290 nan 0.000 0.552 1174 Q N -1.011 118.608 119.800 -0.301 0.000 2.165 1174 Q HA 0.149 4.488 4.340 -0.002 0.000 0.197 1174 Q C 2.446 178.331 176.000 -0.191 0.000 0.952 1174 Q CA 0.072 55.773 55.803 -0.169 0.000 0.848 1174 Q CB -0.139 28.582 28.738 -0.028 0.000 0.931 1174 Q HN 0.303 nan 8.270 nan 0.000 0.470 1175 L N 1.055 122.123 121.223 -0.258 0.000 2.013 1175 L HA -0.239 4.100 4.340 -0.002 0.000 0.212 1175 L C 2.300 178.992 176.870 -0.298 0.000 1.073 1175 L CA 2.172 56.876 54.840 -0.226 0.000 0.753 1175 L CB -1.002 40.795 42.059 -0.437 0.000 0.890 1175 L HN 0.191 nan 8.230 nan 0.000 0.432 1176 A N -1.477 120.913 122.820 -0.717 0.000 1.898 1176 A HA -0.172 4.147 4.320 -0.002 0.000 0.216 1176 A C 2.280 179.763 177.584 -0.168 0.000 1.181 1176 A CA 1.362 53.087 52.037 -0.521 0.000 0.620 1176 A CB -0.360 18.215 19.000 -0.709 0.000 0.819 1176 A HN 0.227 nan 8.150 nan 0.000 0.442 1177 K N -0.327 119.944 120.400 -0.214 0.000 2.147 1177 K HA 0.021 4.340 4.320 -0.002 0.000 0.205 1177 K C 1.373 177.963 176.600 -0.017 0.000 1.049 1177 K CA 1.043 57.261 56.287 -0.114 0.000 0.936 1177 K CB -0.438 31.980 32.500 -0.138 0.000 0.722 1177 K HN 0.595 nan 8.250 nan 0.000 0.446 1178 M N -0.070 119.536 119.600 0.011 0.000 2.726 1178 M HA 0.098 4.576 4.480 -0.002 0.000 0.211 1178 M C 1.302 177.678 176.300 0.126 0.000 1.190 1178 M CA 0.500 55.847 55.300 0.078 0.000 1.000 1178 M CB -0.064 32.597 32.600 0.102 0.000 1.790 1178 M HN 0.017 nan 8.290 nan 0.000 0.467 1179 M N -1.291 118.380 119.600 0.118 0.000 2.541 1179 M HA 0.265 4.744 4.480 -0.002 0.000 0.429 1179 M C 0.696 177.066 176.300 0.118 0.000 1.133 1179 M CA 0.341 55.730 55.300 0.148 0.000 0.902 1179 M CB 0.969 33.713 32.600 0.241 0.000 1.712 1179 M HN 0.346 nan 8.290 nan 0.000 0.577 1180 G N 1.298 110.153 108.800 0.090 0.000 2.162 1180 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.260 1180 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.260 1180 G C 0.071 175.037 174.900 0.110 0.000 0.976 1180 G CA 0.248 45.401 45.100 0.088 0.000 0.655 1180 G HN 0.541 nan 8.290 nan 0.000 0.533 1181 C N -0.163 119.205 119.300 0.113 0.000 2.689 1181 C HA 0.441 4.900 4.460 -0.002 0.000 0.409 1181 C C 0.797 175.877 174.990 0.149 0.000 1.293 1181 C CA -0.317 58.790 59.018 0.147 0.000 2.136 1181 C CB -0.181 27.650 27.740 0.151 0.000 2.719 1181 C HN 0.440 nan 8.230 nan 0.000 0.644 1182 Y N 2.062 122.428 120.300 0.109 0.000 2.383 1182 Y HA 0.526 5.075 4.550 -0.002 0.000 0.344 1182 Y C -0.358 175.632 175.900 0.151 0.000 0.986 1182 Y CA -0.251 57.917 58.100 0.113 0.000 1.175 1182 Y CB 0.394 38.948 38.460 0.157 0.000 1.152 1182 Y HN 0.462 nan 8.280 nan 0.000 0.511 1183 V N 7.529 127.175 119.914 -0.446 0.000 2.448 1183 V HA 0.496 4.615 4.120 -0.002 0.000 0.295 1183 V C -0.582 175.297 176.094 -0.358 0.000 1.025 1183 V CA -0.926 61.171 62.300 -0.339 0.000 0.859 1183 V CB 1.358 32.832 31.823 -0.581 0.000 0.988 1183 V HN 0.592 nan 8.190 nan 0.000 0.431 1184 V N 3.237 123.180 119.914 0.048 0.000 2.715 1184 V HA 0.939 5.058 4.120 -0.002 0.000 0.310 1184 V C 0.605 177.061 176.094 0.603 0.000 1.054 1184 V CA -0.109 62.337 62.300 0.243 0.000 0.928 1184 V CB 2.019 33.854 31.823 0.019 0.000 1.007 1184 V HN 1.005 nan 8.190 nan 0.000 0.437 1185 G N 1.549 110.677 108.800 0.548 0.000 2.714 1185 G HA2 0.787 4.746 3.960 -0.002 0.000 0.292 1185 G HA3 0.787 4.746 3.960 -0.002 0.000 0.292 1185 G C -0.869 174.012 174.900 -0.032 0.000 1.308 1185 G CA -0.260 44.992 45.100 0.254 0.000 0.964 1185 G HN 1.005 nan 8.290 nan 0.000 0.484 1186 S N -1.637 113.945 115.700 -0.196 0.000 2.546 1186 S HA 0.906 5.375 4.470 -0.002 0.000 0.274 1186 S C -0.546 173.913 174.600 -0.234 0.000 1.121 1186 S CA -0.035 57.906 58.200 -0.430 0.000 0.887 1186 S CB 1.902 64.830 63.200 -0.453 0.000 1.094 1186 S HN 2.188 nan 8.310 nan 0.000 0.474 1187 A N 0.652 123.264 122.820 -0.347 0.000 2.609 1187 A HA 0.851 5.170 4.320 -0.002 0.000 0.291 1187 A C 0.438 177.551 177.584 -0.785 0.000 1.096 1187 A CA -0.511 51.309 52.037 -0.362 0.000 0.684 1187 A CB 0.681 19.501 19.000 -0.299 0.000 1.282 1187 A HN 1.653 nan 8.150 nan 0.000 0.412 1188 G N 0.021 108.343 108.800 -0.795 0.000 3.233 1188 G HA2 0.443 4.402 3.960 -0.002 0.000 0.227 1188 G HA3 0.443 4.402 3.960 -0.002 0.000 0.227 1188 G C 0.301 174.973 174.900 -0.381 0.000 1.175 1188 G CA 0.917 45.491 45.100 -0.876 0.000 0.781 1188 G HN 1.728 nan 8.290 nan 0.000 0.542 1189 S N -1.715 113.819 115.700 -0.277 0.000 2.537 1189 S HA 0.437 4.906 4.470 -0.002 0.000 0.271 1189 S C 0.273 174.797 174.600 -0.128 0.000 1.148 1189 S CA -0.844 57.263 58.200 -0.155 0.000 0.868 1189 S CB 1.987 65.124 63.200 -0.106 0.000 1.115 1189 S HN -0.156 nan 8.310 nan 0.000 0.461 1190 K N 1.141 121.491 120.400 -0.082 0.000 2.442 1190 K HA -0.039 4.280 4.320 -0.002 0.000 0.198 1190 K C 1.783 178.351 176.600 -0.054 0.000 1.042 1190 K CA 1.565 57.816 56.287 -0.060 0.000 0.958 1190 K CB -0.290 32.190 32.500 -0.033 0.000 0.766 1190 K HN 0.917 nan 8.250 nan 0.000 0.474 1191 E N 0.911 121.078 120.200 -0.054 0.000 2.158 1191 E HA -0.093 4.256 4.350 -0.002 0.000 0.191 1191 E C 1.432 178.003 176.600 -0.049 0.000 0.982 1191 E CA 1.296 57.670 56.400 -0.043 0.000 0.823 1191 E CB 0.060 29.738 29.700 -0.036 0.000 0.766 1191 E HN 0.097 nan 8.360 nan 0.000 0.468 1192 K N 0.247 120.603 120.400 -0.074 0.000 2.186 1192 K HA 0.055 4.374 4.320 -0.002 0.000 0.202 1192 K C 2.088 178.613 176.600 -0.124 0.000 1.052 1192 K CA 0.883 57.115 56.287 -0.091 0.000 0.965 1192 K CB 0.129 32.556 32.500 -0.122 0.000 0.746 1192 K HN 0.002 nan 8.250 nan 0.000 0.457 1193 V N 2.272 122.106 119.914 -0.134 0.000 2.343 1193 V HA -0.230 3.889 4.120 -0.002 0.000 0.247 1193 V C 1.442 177.481 176.094 -0.090 0.000 1.051 1193 V CA 1.875 64.090 62.300 -0.143 0.000 1.036 1193 V CB -0.326 31.429 31.823 -0.114 0.000 0.654 1193 V HN 0.274 nan 8.190 nan 0.000 0.451 1194 D N -0.260 120.108 120.400 -0.052 0.000 2.264 1194 D HA -0.060 4.579 4.640 -0.002 0.000 0.208 1194 D C 2.056 178.352 176.300 -0.006 0.000 0.966 1194 D CA 0.835 54.821 54.000 -0.023 0.000 0.864 1194 D CB -0.011 40.779 40.800 -0.018 0.000 0.933 1194 D HN 0.354 nan 8.370 nan 0.000 0.499 1195 L N 0.046 121.273 121.223 0.006 0.000 2.131 1195 L HA -0.049 4.290 4.340 -0.002 0.000 0.206 1195 L C 2.427 179.414 176.870 0.196 0.000 1.087 1195 L CA 0.393 55.284 54.840 0.084 0.000 0.767 1195 L CB -0.195 41.948 42.059 0.139 0.000 0.917 1195 L HN 0.030 nan 8.230 nan 0.000 0.441 1196 L N -0.204 121.029 121.223 0.018 0.000 2.017 1196 L HA -0.245 4.094 4.340 -0.002 0.000 0.208 1196 L C 2.583 179.463 176.870 0.018 0.000 1.073 1196 L CA 1.548 56.271 54.840 -0.195 0.000 0.745 1196 L CB -0.496 41.145 42.059 -0.698 0.000 0.894 1196 L HN 0.218 nan 8.230 nan 0.000 0.432 1197 K N -0.812 119.598 120.400 0.016 0.000 2.148 1197 K HA -0.119 4.200 4.320 -0.002 0.000 0.204 1197 K C 2.042 178.694 176.600 0.087 0.000 1.050 1197 K CA 1.832 58.169 56.287 0.083 0.000 0.942 1197 K CB -0.020 32.506 32.500 0.043 0.000 0.724 1197 K HN 0.546 nan 8.250 nan 0.000 0.446 1198 T N -1.731 112.859 114.554 0.061 0.000 3.156 1198 T HA 0.069 4.418 4.350 -0.002 0.000 0.236 1198 T C 1.897 176.596 174.700 -0.002 0.000 0.978 1198 T CA 0.110 62.227 62.100 0.028 0.000 1.240 1198 T CB -0.149 68.720 68.868 0.002 0.000 0.951 1198 T HN -0.176 nan 8.240 nan 0.000 0.420 1199 K N 0.573 120.938 120.400 -0.059 0.000 2.155 1199 K HA 0.284 4.603 4.320 -0.002 0.000 0.203 1199 K C 1.466 177.874 176.600 -0.321 0.000 1.052 1199 K CA 0.961 57.112 56.287 -0.227 0.000 0.948 1199 K CB -0.650 31.636 32.500 -0.356 0.000 0.728 1199 K HN 0.453 nan 8.250 nan 0.000 0.448 1200 F N -0.667 119.310 119.950 0.046 0.000 2.776 1200 F HA 0.247 4.773 4.527 -0.002 0.000 0.300 1200 F C 1.337 177.252 175.800 0.191 0.000 1.116 1200 F CA 0.527 58.602 58.000 0.125 0.000 1.375 1200 F CB 0.301 39.392 39.000 0.153 0.000 1.109 1200 F HN 0.183 nan 8.300 nan 0.000 0.585 1201 G N 0.580 109.545 108.800 0.275 0.000 2.198 1201 G HA2 -0.328 3.631 3.960 -0.002 0.000 0.260 1201 G HA3 -0.328 3.631 3.960 -0.002 0.000 0.260 1201 G C 0.246 175.258 174.900 0.187 0.000 1.025 1201 G CA -0.410 44.795 45.100 0.174 0.000 0.769 1201 G HN 0.279 nan 8.290 nan 0.000 0.507 1202 F N 0.109 120.070 119.950 0.019 0.000 2.506 1202 F HA 0.287 4.813 4.527 -0.002 0.000 0.351 1202 F C 1.684 177.441 175.800 -0.072 0.000 1.136 1202 F CA 0.231 58.204 58.000 -0.045 0.000 1.298 1202 F CB 0.627 39.599 39.000 -0.046 0.000 1.145 1202 F HN 0.092 nan 8.300 nan 0.000 0.593 1203 D N -0.243 120.135 120.400 -0.037 0.000 2.194 1203 D HA -0.054 4.585 4.640 -0.002 0.000 0.204 1203 D C -0.068 176.224 176.300 -0.012 0.000 0.964 1203 D CA 1.209 55.161 54.000 -0.079 0.000 0.846 1203 D CB 0.214 40.822 40.800 -0.319 0.000 0.962 1203 D HN 0.299 nan 8.370 nan 0.000 0.490 1204 D N -1.589 118.807 120.400 -0.007 0.000 2.615 1204 D HA 0.690 5.329 4.640 -0.002 0.000 0.267 1204 D C -1.617 174.765 176.300 0.136 0.000 1.236 1204 D CA -0.689 53.347 54.000 0.060 0.000 0.839 1204 D CB 1.938 42.758 40.800 0.033 0.000 1.380 1204 D HN -0.021 nan 8.370 nan 0.000 0.433 1205 A N 0.172 123.079 122.820 0.145 0.000 2.583 1205 A HA 0.703 5.022 4.320 -0.002 0.000 0.292 1205 A C -1.923 175.783 177.584 0.204 0.000 1.045 1205 A CA -0.702 51.400 52.037 0.108 0.000 0.672 1205 A CB 0.838 19.792 19.000 -0.077 0.000 1.283 1205 A HN 0.681 nan 8.150 nan 0.000 0.419 1206 F N -0.553 119.410 119.950 0.021 0.000 2.693 1206 F HA 0.698 5.224 4.527 -0.002 0.000 0.309 1206 F C -0.930 174.864 175.800 -0.009 0.000 1.129 1206 F CA -1.098 56.910 58.000 0.013 0.000 0.948 1206 F CB 1.228 40.254 39.000 0.042 0.000 1.315 1206 F HN 0.447 nan 8.300 nan 0.000 0.447 1207 N N 1.942 120.719 118.700 0.129 0.000 2.401 1207 N HA 0.096 4.835 4.740 -0.002 0.000 0.255 1207 N C 0.390 175.984 175.510 0.140 0.000 1.110 1207 N CA -0.433 52.580 53.050 -0.062 0.000 0.949 1207 N CB 0.389 38.859 38.487 -0.027 0.000 1.110 1207 N HN 0.852 nan 8.380 nan 0.000 0.490 1208 Y N 2.177 122.528 120.300 0.085 0.000 2.639 1208 Y HA 0.060 4.609 4.550 -0.002 0.000 0.297 1208 Y C 1.918 177.933 175.900 0.191 0.000 1.151 1208 Y CA 0.408 58.661 58.100 0.255 0.000 1.335 1208 Y CB 0.172 38.716 38.460 0.139 0.000 0.994 1208 Y HN 0.394 nan 8.280 nan 0.000 0.548 1209 K N 1.377 121.907 120.400 0.216 0.000 2.137 1209 K HA -0.148 4.171 4.320 -0.002 0.000 0.202 1209 K C 2.070 178.747 176.600 0.128 0.000 1.052 1209 K CA 1.052 57.446 56.287 0.179 0.000 0.961 1209 K CB -0.053 32.466 32.500 0.032 0.000 0.741 1209 K HN 0.429 nan 8.250 nan 0.000 0.452 1210 E N 0.947 121.210 120.200 0.105 0.000 2.358 1210 E HA -0.085 4.263 4.350 -0.002 0.000 0.195 1210 E C -0.374 176.283 176.600 0.096 0.000 1.010 1210 E CA 0.611 57.062 56.400 0.085 0.000 0.856 1210 E CB 0.375 30.114 29.700 0.065 0.000 0.795 1210 E HN 0.126 nan 8.360 nan 0.000 0.504 1211 E N 1.025 121.312 120.200 0.145 0.000 2.133 1211 E HA 0.116 4.465 4.350 -0.002 0.000 0.274 1211 E C 0.644 177.299 176.600 0.092 0.000 0.930 1211 E CA -0.065 56.392 56.400 0.094 0.000 0.770 1211 E CB 1.906 31.642 29.700 0.059 0.000 1.104 1211 E HN 0.170 nan 8.360 nan 0.000 0.403 1212 S N 2.550 118.278 115.700 0.046 0.000 2.335 1212 S HA -0.096 4.373 4.470 -0.002 0.000 0.217 1212 S C 0.778 175.391 174.600 0.021 0.000 1.032 1212 S CA 0.602 58.823 58.200 0.036 0.000 0.985 1212 S CB 0.083 63.295 63.200 0.019 0.000 0.896 1212 S HN 0.405 nan 8.310 nan 0.000 0.445 1213 D N 0.739 121.135 120.400 -0.006 0.000 2.443 1213 D HA 0.354 4.993 4.640 -0.002 0.000 0.221 1213 D C 0.712 176.985 176.300 -0.046 0.000 1.097 1213 D CA -0.311 53.676 54.000 -0.022 0.000 0.865 1213 D CB 0.784 41.564 40.800 -0.032 0.000 1.034 1213 D HN 0.223 nan 8.370 nan 0.000 0.511 1214 L N 2.507 123.718 121.223 -0.020 0.000 2.291 1214 L HA -0.093 4.245 4.340 -0.002 0.000 0.214 1214 L C 2.435 179.258 176.870 -0.077 0.000 1.120 1214 L CA 1.182 56.005 54.840 -0.027 0.000 0.799 1214 L CB -0.222 41.868 42.059 0.052 0.000 0.925 1214 L HN 0.449 nan 8.230 nan 0.000 0.446 1215 T N -2.513 112.003 114.554 -0.063 0.000 2.985 1215 T HA 0.016 4.365 4.350 -0.002 0.000 0.266 1215 T C 1.831 176.480 174.700 -0.085 0.000 1.076 1215 T CA 0.817 62.875 62.100 -0.071 0.000 1.135 1215 T CB 0.101 68.941 68.868 -0.047 0.000 0.890 1215 T HN 0.262 nan 8.240 nan 0.000 0.480 1216 A N 1.122 123.889 122.820 -0.089 0.000 1.970 1216 A HA 0.547 4.866 4.320 -0.002 0.000 0.216 1216 A C 2.756 180.247 177.584 -0.155 0.000 1.170 1216 A CA 1.344 53.323 52.037 -0.096 0.000 0.645 1216 A CB -1.187 17.767 19.000 -0.077 0.000 0.816 1216 A HN 0.721 nan 8.150 nan 0.000 0.447 1217 A N -0.006 122.663 122.820 -0.251 0.000 1.902 1217 A HA -0.023 4.296 4.320 -0.002 0.000 0.217 1217 A C 2.076 179.383 177.584 -0.463 0.000 1.181 1217 A CA 1.437 53.187 52.037 -0.478 0.000 0.623 1217 A CB -0.559 17.915 19.000 -0.876 0.000 0.818 1217 A HN 0.455 nan 8.150 nan 0.000 0.443 1218 L N -0.842 120.191 121.223 -0.317 0.000 2.291 1218 L HA -0.098 4.241 4.340 -0.002 0.000 0.214 1218 L C 2.552 179.424 176.870 0.004 0.000 1.120 1218 L CA 1.336 56.100 54.840 -0.127 0.000 0.799 1218 L CB -0.315 41.661 42.059 -0.138 0.000 0.925 1218 L HN 0.441 nan 8.230 nan 0.000 0.446 1219 K N 1.283 121.651 120.400 -0.053 0.000 2.103 1219 K HA -0.161 4.158 4.320 -0.002 0.000 0.204 1219 K C 2.288 178.878 176.600 -0.016 0.000 1.052 1219 K CA 1.193 57.473 56.287 -0.012 0.000 0.945 1219 K CB 0.149 32.629 32.500 -0.034 0.000 0.722 1219 K HN 0.350 nan 8.250 nan 0.000 0.443 1220 R N -0.644 119.817 120.500 -0.066 0.000 2.200 1220 R HA 0.036 4.375 4.340 -0.002 0.000 0.208 1220 R C 2.115 178.374 176.300 -0.068 0.000 1.033 1220 R CA 1.044 57.106 56.100 -0.063 0.000 1.000 1220 R CB -0.569 29.684 30.300 -0.078 0.000 0.906 1220 R HN 0.068 nan 8.270 nan 0.000 0.462 1221 C N 0.098 119.335 119.300 -0.106 0.000 2.486 1221 C HA 0.216 4.675 4.460 -0.002 0.000 0.279 1221 C C 0.585 175.415 174.990 -0.267 0.000 1.302 1221 C CA -0.007 58.907 59.018 -0.173 0.000 1.720 1221 C CB -0.525 27.072 27.740 -0.237 0.000 2.030 1221 C HN 0.363 nan 8.230 nan 0.000 0.490 1222 F N 1.224 121.222 119.950 0.080 0.000 2.310 1222 F HA 0.315 4.841 4.527 -0.002 0.000 0.365 1222 F C -1.716 174.075 175.800 -0.015 0.000 1.080 1222 F CA -1.714 56.322 58.000 0.061 0.000 1.187 1222 F CB 0.453 39.492 39.000 0.065 0.000 1.465 1222 F HN 0.092 nan 8.300 nan 0.000 0.496 1223 P HA -0.082 nan 4.420 nan 0.000 0.219 1223 P C -0.052 177.271 177.300 0.039 0.000 1.150 1223 P CA 1.344 64.460 63.100 0.028 0.000 0.814 1223 P CB 0.202 31.886 31.700 -0.027 0.000 0.787 1224 N N -0.620 118.113 118.700 0.056 0.000 2.389 1224 N HA 0.350 5.089 4.740 -0.002 0.000 0.260 1224 N C 0.391 175.945 175.510 0.073 0.000 1.191 1224 N CA -0.066 53.012 53.050 0.047 0.000 0.885 1224 N CB 0.387 38.885 38.487 0.018 0.000 1.162 1224 N HN 0.028 nan 8.380 nan 0.000 0.512 1225 G N 1.228 110.088 108.800 0.101 0.000 2.877 1225 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.279 1225 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.279 1225 G C -0.560 174.277 174.900 -0.106 0.000 1.431 1225 G CA -0.701 44.411 45.100 0.020 0.000 0.883 1225 G HN 0.180 nan 8.290 nan 0.000 0.547 1226 I N -0.148 120.267 120.570 -0.258 0.000 2.404 1226 I HA 0.407 4.575 4.170 -0.002 0.000 0.293 1226 I C 0.421 176.448 176.117 -0.150 0.000 0.992 1226 I CA -0.498 60.552 61.300 -0.416 0.000 1.149 1226 I CB 1.923 39.611 38.000 -0.521 0.000 1.315 1226 I HN 0.603 nan 8.210 nan 0.000 0.446 1227 D N 4.281 124.639 120.400 -0.069 0.000 2.422 1227 D HA 0.344 4.983 4.640 -0.002 0.000 0.218 1227 D C -0.013 176.315 176.300 0.047 0.000 1.047 1227 D CA 0.608 54.615 54.000 0.011 0.000 0.885 1227 D CB 0.718 41.546 40.800 0.046 0.000 1.035 1227 D HN 0.320 nan 8.370 nan 0.000 0.502 1228 I N 0.115 120.736 120.570 0.085 0.000 2.608 1228 I HA 0.301 4.470 4.170 -0.002 0.000 0.295 1228 I C -1.548 174.719 176.117 0.250 0.000 1.049 1228 I CA -1.126 60.265 61.300 0.151 0.000 1.063 1228 I CB 2.338 40.456 38.000 0.196 0.000 1.248 1228 I HN -0.160 nan 8.210 nan 0.000 0.424 1229 Y N 6.335 126.691 120.300 0.095 0.000 2.331 1229 Y HA 0.436 4.985 4.550 -0.002 0.000 0.326 1229 Y C -1.757 174.190 175.900 0.079 0.000 1.020 1229 Y CA -1.899 56.274 58.100 0.120 0.000 1.136 1229 Y CB 1.365 39.897 38.460 0.120 0.000 1.157 1229 Y HN 0.406 nan 8.280 nan 0.000 0.444 1230 F N 6.106 126.032 119.950 -0.040 0.000 2.335 1230 F HA 0.323 4.849 4.527 -0.002 0.000 0.365 1230 F C 0.395 175.847 175.800 -0.580 0.000 1.122 1230 F CA -0.299 57.575 58.000 -0.209 0.000 1.151 1230 F CB 0.437 39.400 39.000 -0.062 0.000 1.282 1230 F HN 0.423 nan 8.300 nan 0.000 0.513 1231 E N 4.680 124.339 120.200 -0.901 0.000 2.003 1231 E HA 0.079 4.428 4.350 -0.002 0.000 0.279 1231 E C -0.307 176.071 176.600 -0.370 0.000 1.132 1231 E CA 0.324 56.161 56.400 -0.939 0.000 0.888 1231 E CB 0.546 29.778 29.700 -0.779 0.000 1.056 1231 E HN 0.779 nan 8.360 nan 0.000 0.399 1232 N N 1.313 119.912 118.700 -0.168 0.000 2.382 1232 N HA -0.027 4.712 4.740 -0.002 0.000 0.200 1232 N C 1.461 176.912 175.510 -0.098 0.000 1.122 1232 N CA 0.503 53.518 53.050 -0.059 0.000 0.870 1232 N CB 0.752 39.264 38.487 0.043 0.000 1.176 1232 N HN 0.291 nan 8.380 nan 0.000 0.474 1233 V N -2.342 117.530 119.914 -0.070 0.000 2.484 1233 V HA 0.593 4.712 4.120 -0.002 0.000 0.236 1233 V C 1.126 177.156 176.094 -0.108 0.000 1.062 1233 V CA 0.832 63.071 62.300 -0.102 0.000 1.081 1233 V CB -0.921 30.848 31.823 -0.090 0.000 0.751 1233 V HN 0.240 nan 8.190 nan 0.000 0.484 1234 G N -1.245 107.549 108.800 -0.009 0.000 2.631 1234 G HA2 0.384 4.343 3.960 -0.002 0.000 0.504 1234 G HA3 0.384 4.343 3.960 -0.002 0.000 0.504 1234 G C 0.719 175.621 174.900 0.004 0.000 1.306 1234 G CA 0.043 45.141 45.100 -0.003 0.000 0.897 1234 G HN 2.198 nan 8.290 nan 0.000 0.520 1235 G N -0.063 108.743 108.800 0.009 0.000 2.601 1235 G HA2 -0.304 3.655 3.960 -0.002 0.000 0.306 1235 G HA3 -0.304 3.655 3.960 -0.002 0.000 0.306 1235 G C 1.478 176.392 174.900 0.024 0.000 1.172 1235 G CA 1.828 46.934 45.100 0.010 0.000 0.966 1235 G HN 1.834 nan 8.290 nan 0.000 0.542 1236 K N -0.023 120.380 120.400 0.005 0.000 2.147 1236 K HA 0.102 4.421 4.320 -0.002 0.000 0.205 1236 K C 2.769 179.380 176.600 0.018 0.000 1.049 1236 K CA 1.819 58.107 56.287 0.002 0.000 0.936 1236 K CB -0.231 32.265 32.500 -0.007 0.000 0.722 1236 K HN 0.419 nan 8.250 nan 0.000 0.446 1237 M N 0.491 120.114 119.600 0.038 0.000 2.200 1237 M HA -0.108 4.371 4.480 -0.002 0.000 0.265 1237 M C 2.050 178.394 176.300 0.073 0.000 1.066 1237 M CA 0.870 56.218 55.300 0.080 0.000 1.127 1237 M CB -0.449 32.231 32.600 0.134 0.000 1.379 1237 M HN 0.228 nan 8.290 nan 0.000 0.420 1238 L N 0.842 122.138 121.223 0.121 0.000 2.056 1238 L HA -0.169 4.170 4.340 -0.002 0.000 0.207 1238 L C 1.693 178.594 176.870 0.051 0.000 1.078 1238 L CA 1.956 56.882 54.840 0.143 0.000 0.749 1238 L CB -0.934 41.221 42.059 0.160 0.000 0.901 1238 L HN 0.184 nan 8.230 nan 0.000 0.433 1239 D N -0.352 120.069 120.400 0.034 0.000 2.144 1239 D HA -0.111 4.527 4.640 -0.002 0.000 0.199 1239 D C 2.200 178.491 176.300 -0.015 0.000 0.984 1239 D CA 1.345 55.354 54.000 0.014 0.000 0.834 1239 D CB -0.034 40.771 40.800 0.009 0.000 0.955 1239 D HN 0.452 nan 8.370 nan 0.000 0.465 1240 A N 0.606 123.410 122.820 -0.027 0.000 1.933 1240 A HA -0.137 4.182 4.320 -0.002 0.000 0.218 1240 A C 2.418 179.940 177.584 -0.103 0.000 1.175 1240 A CA 1.986 53.989 52.037 -0.056 0.000 0.628 1240 A CB -0.623 18.350 19.000 -0.046 0.000 0.814 1240 A HN 0.253 nan 8.150 nan 0.000 0.444 1241 V N -2.274 117.552 119.914 -0.147 0.000 2.599 1241 V HA -0.011 4.108 4.120 -0.002 0.000 0.245 1241 V C 2.167 178.191 176.094 -0.118 0.000 1.046 1241 V CA 1.433 63.608 62.300 -0.208 0.000 1.065 1241 V CB -0.766 30.819 31.823 -0.396 0.000 0.703 1241 V HN 0.381 nan 8.190 nan 0.000 0.464 1242 L N 0.233 121.417 121.223 -0.065 0.000 2.129 1242 L HA -0.145 4.194 4.340 -0.002 0.000 0.212 1242 L C 2.692 179.528 176.870 -0.056 0.000 1.087 1242 L CA 1.705 56.513 54.840 -0.053 0.000 0.757 1242 L CB -0.696 41.342 42.059 -0.035 0.000 0.896 1242 L HN 0.276 nan 8.230 nan 0.000 0.434 1243 V N 0.122 120.011 119.914 -0.041 0.000 2.261 1243 V HA -0.289 3.830 4.120 -0.002 0.000 0.246 1243 V C 1.743 177.820 176.094 -0.029 0.000 1.047 1243 V CA 2.365 64.653 62.300 -0.021 0.000 1.015 1243 V CB -0.634 31.178 31.823 -0.018 0.000 0.642 1243 V HN 0.524 nan 8.190 nan 0.000 0.446 1244 N N -0.654 118.012 118.700 -0.057 0.000 2.515 1244 N HA 0.064 4.803 4.740 -0.002 0.000 0.185 1244 N C 0.577 176.036 175.510 -0.084 0.000 1.109 1244 N CA 0.054 53.068 53.050 -0.061 0.000 0.903 1244 N CB -0.112 38.330 38.487 -0.074 0.000 0.969 1244 N HN 0.464 nan 8.380 nan 0.000 0.450 1245 M N 0.781 120.327 119.600 -0.090 0.000 2.243 1245 M HA 0.084 4.563 4.480 -0.002 0.000 0.341 1245 M C -0.383 175.883 176.300 -0.058 0.000 1.130 1245 M CA -0.127 55.120 55.300 -0.088 0.000 1.162 1245 M CB 0.563 33.119 32.600 -0.073 0.000 1.497 1245 M HN -0.017 nan 8.290 nan 0.000 0.456 1246 N N 3.199 121.870 118.700 -0.048 0.000 2.434 1246 N HA 0.340 5.079 4.740 -0.002 0.000 0.266 1246 N C -0.810 174.678 175.510 -0.037 0.000 1.223 1246 N CA -0.389 52.646 53.050 -0.026 0.000 0.972 1246 N CB 0.756 39.240 38.487 -0.004 0.000 1.207 1246 N HN 0.750 nan 8.380 nan 0.000 0.525 1247 M N 0.319 119.893 119.600 -0.043 0.000 2.245 1247 M HA -0.012 4.467 4.480 -0.002 0.000 0.344 1247 M C -0.074 176.191 176.300 -0.059 0.000 1.170 1247 M CA 0.605 55.829 55.300 -0.126 0.000 1.135 1247 M CB -0.197 32.310 32.600 -0.156 0.000 1.574 1247 M HN 0.724 nan 8.290 nan 0.000 0.452 1248 H N 0.085 119.149 119.070 -0.009 0.000 3.080 1248 H HA -0.148 4.407 4.556 -0.002 0.000 0.254 1248 H C 0.522 175.841 175.328 -0.015 0.000 1.179 1248 H CA 0.300 56.341 56.048 -0.012 0.000 1.144 1248 H CB -2.025 27.732 29.762 -0.007 0.000 1.261 1248 H HN 0.916 nan 8.280 nan 0.000 0.333 1249 G N 0.472 109.302 108.800 0.050 0.000 2.559 1249 G HA2 0.317 4.276 3.960 -0.002 0.000 0.235 1249 G HA3 0.317 4.276 3.960 -0.002 0.000 0.235 1249 G C 0.078 174.997 174.900 0.031 0.000 1.266 1249 G CA -0.382 44.737 45.100 0.031 0.000 0.847 1249 G HN 0.281 nan 8.290 nan 0.000 0.583 1250 R N -0.197 120.322 120.500 0.032 0.000 2.670 1250 R HA 0.574 4.912 4.340 -0.002 0.000 0.289 1250 R C -0.492 175.832 176.300 0.041 0.000 0.965 1250 R CA -0.598 55.513 56.100 0.018 0.000 0.899 1250 R CB 2.254 32.547 30.300 -0.011 0.000 1.173 1250 R HN 0.402 nan 8.270 nan 0.000 0.456 1251 I N 1.830 122.412 120.570 0.020 0.000 2.439 1251 I HA 0.416 4.585 4.170 -0.002 0.000 0.285 1251 I C -0.553 175.514 176.117 -0.084 0.000 1.021 1251 I CA -0.784 60.524 61.300 0.014 0.000 1.091 1251 I CB 2.082 40.123 38.000 0.067 0.000 1.242 1251 I HN 0.648 nan 8.210 nan 0.000 0.439 1252 A N 7.062 129.764 122.820 -0.195 0.000 2.253 1252 A HA 0.631 4.949 4.320 -0.002 0.000 0.316 1252 A C -0.453 176.937 177.584 -0.324 0.000 1.327 1252 A CA -0.416 51.484 52.037 -0.228 0.000 0.917 1252 A CB 0.590 19.372 19.000 -0.364 0.000 1.162 1252 A HN 0.450 nan 8.150 nan 0.000 0.535 1253 V N 3.182 122.987 119.914 -0.181 0.000 2.334 1253 V HA 0.092 4.211 4.120 -0.002 0.000 0.267 1253 V C 0.976 176.872 176.094 -0.330 0.000 1.040 1253 V CA -0.279 61.871 62.300 -0.251 0.000 0.866 1253 V CB 0.289 32.019 31.823 -0.154 0.000 1.019 1253 V HN 1.117 nan 8.190 nan 0.000 0.468 1254 C N 3.777 122.819 119.300 -0.431 0.000 2.541 1254 C HA 0.621 5.079 4.460 -0.002 0.000 0.284 1254 C C 1.150 175.946 174.990 -0.323 0.000 1.341 1254 C CA 0.863 59.532 59.018 -0.581 0.000 1.732 1254 C CB -0.358 27.191 27.740 -0.318 0.000 2.126 1254 C HN 0.928 nan 8.230 nan 0.000 0.505 1255 G N -0.476 108.226 108.800 -0.163 0.000 2.677 1255 G HA2 0.575 4.534 3.960 -0.002 0.000 0.291 1255 G HA3 0.575 4.534 3.960 -0.002 0.000 0.291 1255 G C -1.315 173.504 174.900 -0.134 0.000 1.435 1255 G CA -0.410 44.677 45.100 -0.021 0.000 0.826 1255 G HN 0.179 nan 8.290 nan 0.000 0.491 1256 M N 1.960 121.399 119.600 -0.268 0.000 2.067 1256 M HA 0.291 4.769 4.480 -0.002 0.000 0.214 1256 M C 0.338 176.136 176.300 -0.837 0.000 0.891 1256 M CA -0.167 54.912 55.300 -0.369 0.000 0.697 1256 M CB 0.892 33.383 32.600 -0.181 0.000 1.616 1256 M HN 0.494 nan 8.290 nan 0.000 0.354 1257 I N -0.616 119.500 120.570 -0.757 0.000 3.291 1257 I HA -0.108 4.061 4.170 -0.002 0.000 0.279 1257 I C 1.956 177.812 176.117 -0.436 0.000 1.294 1257 I CA 0.720 61.513 61.300 -0.845 0.000 1.428 1257 I CB -0.140 37.679 38.000 -0.301 0.000 1.070 1257 I HN 0.555 nan 8.210 nan 0.000 0.478 1258 S N -0.152 115.367 115.700 -0.302 0.000 2.562 1258 S HA 0.025 4.494 4.470 -0.002 0.000 0.221 1258 S C 1.689 176.186 174.600 -0.171 0.000 0.975 1258 S CA 0.150 58.244 58.200 -0.177 0.000 0.918 1258 S CB 0.062 63.182 63.200 -0.133 0.000 0.772 1258 S HN 0.378 nan 8.310 nan 0.000 0.531 1259 Q N -0.335 119.331 119.800 -0.224 0.000 2.402 1259 Q HA 0.257 4.596 4.340 -0.002 0.000 0.231 1259 Q C 1.138 177.101 176.000 -0.061 0.000 0.888 1259 Q CA 0.390 56.116 55.803 -0.128 0.000 0.938 1259 Q CB -0.572 28.116 28.738 -0.084 0.000 1.086 1259 Q HN 0.551 nan 8.270 nan 0.000 0.543 1260 Y N 1.905 122.101 120.300 -0.173 0.000 2.151 1260 Y HA -0.185 4.363 4.550 -0.002 0.000 0.284 1260 Y C 1.509 177.207 175.900 -0.337 0.000 1.166 1260 Y CA 1.146 59.108 58.100 -0.230 0.000 1.163 1260 Y CB -0.864 37.456 38.460 -0.233 0.000 0.974 1260 Y HN 0.268 nan 8.280 nan 0.000 0.511 1261 N N -0.670 117.838 118.700 -0.320 0.000 2.353 1261 N HA 0.114 4.853 4.740 -0.002 0.000 0.185 1261 N C -0.309 174.942 175.510 -0.432 0.000 1.098 1261 N CA -0.097 52.597 53.050 -0.592 0.000 0.872 1261 N CB 0.155 37.794 38.487 -1.413 0.000 0.970 1261 N HN 0.087 nan 8.380 nan 0.000 0.467 1262 L N 1.317 122.382 121.223 -0.262 0.000 2.367 1262 L HA 0.122 4.461 4.340 -0.002 0.000 0.275 1262 L C 0.930 177.736 176.870 -0.107 0.000 1.129 1262 L CA -0.117 54.636 54.840 -0.145 0.000 0.839 1262 L CB 0.921 42.925 42.059 -0.091 0.000 1.133 1262 L HN 0.139 nan 8.230 nan 0.000 0.453 1263 E N 1.846 122.001 120.200 -0.076 0.000 2.479 1263 E HA 0.064 4.413 4.350 -0.002 0.000 0.193 1263 E C -0.347 176.229 176.600 -0.041 0.000 1.049 1263 E CA 0.330 56.695 56.400 -0.059 0.000 0.870 1263 E CB 0.153 29.826 29.700 -0.045 0.000 0.944 1263 E HN 0.573 nan 8.360 nan 0.000 0.492 1264 N N 2.288 120.968 118.700 -0.033 0.000 2.626 1264 N HA 0.123 4.862 4.740 -0.002 0.000 0.249 1264 N C -0.469 175.030 175.510 -0.019 0.000 1.021 1264 N CA -0.328 52.711 53.050 -0.019 0.000 0.886 1264 N CB 1.293 39.777 38.487 -0.006 0.000 1.149 1264 N HN -0.140 nan 8.380 nan 0.000 0.517 1265 Q N 1.469 121.257 119.800 -0.019 0.000 2.286 1265 Q HA 0.044 4.383 4.340 -0.002 0.000 0.290 1265 Q C 0.409 176.409 176.000 -0.001 0.000 1.049 1265 Q CA 0.713 56.507 55.803 -0.015 0.000 0.923 1265 Q CB 1.169 29.898 28.738 -0.015 0.000 1.183 1265 Q HN 0.484 nan 8.270 nan 0.000 0.383 1266 E N 0.433 120.633 120.200 0.001 0.000 2.408 1266 E HA 0.280 4.629 4.350 -0.002 0.000 0.259 1266 E C 0.175 176.802 176.600 0.045 0.000 1.110 1266 E CA -0.167 56.247 56.400 0.022 0.000 0.929 1266 E CB 0.577 30.284 29.700 0.013 0.000 0.971 1266 E HN 0.616 nan 8.360 nan 0.000 0.438 1267 G N 0.343 109.201 108.800 0.096 0.000 2.356 1267 G HA2 0.420 4.379 3.960 -0.002 0.000 0.322 1267 G HA3 0.420 4.379 3.960 -0.002 0.000 0.322 1267 G C -0.842 174.209 174.900 0.251 0.000 1.125 1267 G CA -0.478 44.714 45.100 0.152 0.000 0.885 1267 G HN 0.266 nan 8.290 nan 0.000 0.467 1268 V N 3.372 123.391 119.914 0.175 0.000 2.328 1268 V HA 0.254 4.373 4.120 -0.002 0.000 0.278 1268 V C 0.600 176.789 176.094 0.159 0.000 1.021 1268 V CA -0.491 61.917 62.300 0.181 0.000 0.838 1268 V CB 0.784 32.654 31.823 0.079 0.000 0.999 1268 V HN 0.918 nan 8.190 nan 0.000 0.447 1269 H N 2.855 121.926 119.070 0.003 0.000 2.370 1269 H HA 0.031 4.586 4.556 -0.002 0.000 0.304 1269 H C 1.181 176.512 175.328 0.006 0.000 1.055 1269 H CA 1.195 57.246 56.048 0.005 0.000 1.373 1269 H CB 0.494 30.261 29.762 0.007 0.000 1.423 1269 H HN 0.605 nan 8.280 nan 0.000 0.533 1270 N N 1.370 120.152 118.700 0.137 0.000 2.617 1270 N HA -0.033 4.706 4.740 -0.002 0.000 0.198 1270 N C 1.362 176.881 175.510 0.016 0.000 1.317 1270 N CA -0.216 52.874 53.050 0.066 0.000 0.892 1270 N CB 0.079 38.593 38.487 0.045 0.000 1.041 1270 N HN 0.245 nan 8.380 nan 0.000 0.450 1271 L N 0.148 121.378 121.223 0.011 0.000 2.353 1271 L HA -0.159 4.180 4.340 -0.002 0.000 0.220 1271 L C 2.176 179.014 176.870 -0.053 0.000 1.133 1271 L CA 0.768 55.596 54.840 -0.020 0.000 0.798 1271 L CB -0.287 41.763 42.059 -0.014 0.000 0.922 1271 L HN 0.378 nan 8.230 nan 0.000 0.445 1272 S N -1.376 114.303 115.700 -0.035 0.000 2.474 1272 S HA -0.129 4.340 4.470 -0.002 0.000 0.235 1272 S C 1.603 176.074 174.600 -0.216 0.000 0.997 1272 S CA 0.693 58.873 58.200 -0.034 0.000 0.949 1272 S CB -0.440 62.802 63.200 0.070 0.000 0.766 1272 S HN 0.481 nan 8.310 nan 0.000 0.517 1273 N N 2.431 120.925 118.700 -0.343 0.000 2.289 1273 N HA -0.055 4.684 4.740 -0.002 0.000 0.184 1273 N C 1.809 176.871 175.510 -0.746 0.000 1.016 1273 N CA 1.603 54.180 53.050 -0.787 0.000 0.872 1273 N CB -0.508 37.767 38.487 -0.352 0.000 0.973 1273 N HN 0.820 nan 8.380 nan 0.000 0.433 1274 I N -1.934 118.410 120.570 -0.376 0.000 2.614 1274 I HA -0.088 4.081 4.170 -0.002 0.000 0.258 1274 I C 1.836 177.813 176.117 -0.234 0.000 1.189 1274 I CA 0.727 61.877 61.300 -0.249 0.000 1.462 1274 I CB -0.216 37.708 38.000 -0.127 0.000 1.092 1274 I HN -0.091 nan 8.210 nan 0.000 0.442 1275 I N 1.291 121.711 120.570 -0.250 0.000 2.086 1275 I HA -0.255 3.913 4.170 -0.002 0.000 0.233 1275 I C 2.749 178.840 176.117 -0.043 0.000 1.060 1275 I CA 1.797 63.048 61.300 -0.083 0.000 1.326 1275 I CB -0.797 37.225 38.000 0.037 0.000 1.067 1275 I HN 0.254 nan 8.210 nan 0.000 0.398 1276 Y N 1.034 121.312 120.300 -0.036 0.000 2.333 1276 Y HA -0.080 4.469 4.550 -0.002 0.000 0.290 1276 Y C 1.964 177.816 175.900 -0.080 0.000 1.144 1276 Y CA 0.679 58.749 58.100 -0.049 0.000 1.228 1276 Y CB -1.162 37.275 38.460 -0.038 0.000 0.985 1276 Y HN 0.044 nan 8.280 nan 0.000 0.542 1277 K N 0.439 120.719 120.400 -0.199 0.000 2.404 1277 K HA 0.159 4.478 4.320 -0.002 0.000 0.194 1277 K C 0.181 176.657 176.600 -0.206 0.000 1.023 1277 K CA -0.018 56.169 56.287 -0.168 0.000 1.094 1277 K CB 0.157 32.548 32.500 -0.181 0.000 0.841 1277 K HN 0.092 nan 8.250 nan 0.000 0.523 1278 R N 1.332 121.734 120.500 -0.164 0.000 3.641 1278 R HA -0.132 4.207 4.340 -0.002 0.000 0.286 1278 R C -1.032 175.240 176.300 -0.046 0.000 1.153 1278 R CA 0.294 56.330 56.100 -0.107 0.000 0.775 1278 R CB -2.208 27.988 30.300 -0.174 0.000 1.215 1278 R HN 0.313 nan 8.270 nan 0.000 0.474 1279 N N 1.373 120.030 118.700 -0.071 0.000 2.513 1279 N HA 0.084 4.823 4.740 -0.002 0.000 0.268 1279 N C 0.342 175.842 175.510 -0.017 0.000 1.180 1279 N CA 0.064 53.091 53.050 -0.038 0.000 0.948 1279 N CB 0.777 39.227 38.487 -0.061 0.000 1.083 1279 N HN 0.216 nan 8.380 nan 0.000 0.455 1280 R N 2.156 122.657 120.500 0.001 0.000 2.407 1280 R HA 0.536 4.875 4.340 -0.002 0.000 0.303 1280 R C -0.765 175.531 176.300 -0.006 0.000 0.981 1280 R CA -0.482 55.617 56.100 -0.002 0.000 0.905 1280 R CB 0.670 30.970 30.300 -0.000 0.000 1.099 1280 R HN 0.541 nan 8.270 nan 0.000 0.459 1281 I N 3.641 124.205 120.570 -0.009 0.000 2.447 1281 I HA 0.224 4.393 4.170 -0.002 0.000 0.287 1281 I C -0.982 175.128 176.117 -0.011 0.000 1.023 1281 I CA -0.785 60.509 61.300 -0.011 0.000 1.083 1281 I CB 2.105 40.099 38.000 -0.010 0.000 1.245 1281 I HN 0.538 nan 8.210 nan 0.000 0.434 1282 Q N 4.801 124.595 119.800 -0.010 0.000 2.275 1282 Q HA 0.564 4.903 4.340 -0.002 0.000 0.266 1282 Q C -0.592 175.440 176.000 0.053 0.000 1.002 1282 Q CA -0.409 55.404 55.803 0.017 0.000 0.761 1282 Q CB 2.108 30.856 28.738 0.017 0.000 1.255 1282 Q HN 0.770 nan 8.270 nan 0.000 0.446 1283 G N 3.034 111.857 108.800 0.038 0.000 2.467 1283 G HA2 0.531 4.490 3.960 -0.002 0.000 0.257 1283 G HA3 0.531 4.490 3.960 -0.002 0.000 0.257 1283 G C -0.875 174.102 174.900 0.128 0.000 1.227 1283 G CA -0.205 44.906 45.100 0.019 0.000 0.835 1283 G HN 0.644 nan 8.290 nan 0.000 0.556 1284 F N -0.382 119.546 119.950 -0.037 0.000 2.685 1284 F HA 0.756 5.282 4.527 -0.002 0.000 0.315 1284 F C -1.338 174.475 175.800 0.022 0.000 1.126 1284 F CA -1.514 56.503 58.000 0.028 0.000 0.950 1284 F CB 1.769 40.849 39.000 0.133 0.000 1.360 1284 F HN 0.417 nan 8.300 nan 0.000 0.469 1285 V N 2.639 122.591 119.914 0.063 0.000 2.569 1285 V HA 0.210 4.329 4.120 -0.002 0.000 0.301 1285 V C 0.862 177.050 176.094 0.157 0.000 1.044 1285 V CA -0.452 61.816 62.300 -0.053 0.000 0.874 1285 V CB 1.485 33.258 31.823 -0.084 0.000 1.002 1285 V HN 1.010 nan 8.190 nan 0.000 0.424 1286 V N 2.588 122.588 119.914 0.143 0.000 2.311 1286 V HA -0.264 3.855 4.120 -0.002 0.000 0.256 1286 V C 2.174 178.060 176.094 -0.348 0.000 1.077 1286 V CA 2.531 64.871 62.300 0.066 0.000 1.067 1286 V CB -1.323 30.417 31.823 -0.137 0.000 0.659 1286 V HN 0.854 nan 8.190 nan 0.000 0.451 1287 S N 0.466 115.889 115.700 -0.463 0.000 2.413 1287 S HA -0.287 4.182 4.470 -0.002 0.000 0.237 1287 S C 1.646 176.069 174.600 -0.296 0.000 1.044 1287 S CA 1.940 59.838 58.200 -0.503 0.000 1.024 1287 S CB -0.665 62.464 63.200 -0.118 0.000 0.829 1287 S HN 0.751 nan 8.310 nan 0.000 0.475 1288 D N 0.764 121.009 120.400 -0.259 0.000 2.117 1288 D HA -0.026 4.612 4.640 -0.002 0.000 0.198 1288 D C 1.330 177.390 176.300 -0.399 0.000 0.982 1288 D CA 0.966 54.760 54.000 -0.343 0.000 0.828 1288 D CB -0.359 40.125 40.800 -0.527 0.000 0.967 1288 D HN 0.490 nan 8.370 nan 0.000 0.464 1289 F N -0.263 119.621 119.950 -0.110 0.000 2.811 1289 F HA 0.072 4.598 4.527 -0.002 0.000 0.301 1289 F C 1.687 177.504 175.800 0.028 0.000 1.151 1289 F CA -0.072 57.904 58.000 -0.039 0.000 1.412 1289 F CB -0.527 38.467 39.000 -0.009 0.000 1.113 1289 F HN 0.019 nan 8.300 nan 0.000 0.579 1290 Y N 1.064 121.419 120.300 0.092 0.000 2.651 1290 Y HA -0.235 4.314 4.550 -0.002 0.000 0.293 1290 Y C 2.030 177.912 175.900 -0.030 0.000 1.151 1290 Y CA 0.095 58.207 58.100 0.021 0.000 1.362 1290 Y CB -0.391 38.079 38.460 0.017 0.000 0.973 1290 Y HN 0.244 nan 8.280 nan 0.000 0.561 1291 D N 0.429 120.867 120.400 0.063 0.000 2.219 1291 D HA -0.159 4.480 4.640 -0.002 0.000 0.205 1291 D C 0.873 177.308 176.300 0.225 0.000 0.970 1291 D CA 1.055 55.122 54.000 0.111 0.000 0.851 1291 D CB -0.346 40.513 40.800 0.098 0.000 0.943 1291 D HN 0.216 nan 8.370 nan 0.000 0.488 1292 K N -0.786 119.782 120.400 0.281 0.000 2.577 1292 K HA 0.050 4.369 4.320 -0.002 0.000 0.210 1292 K C 0.487 177.280 176.600 0.322 0.000 1.048 1292 K CA -0.423 56.041 56.287 0.296 0.000 1.188 1292 K CB 0.036 32.738 32.500 0.336 0.000 0.910 1292 K HN 0.075 nan 8.250 nan 0.000 0.483 1293 Y N 0.668 121.102 120.300 0.223 0.000 2.286 1293 Y HA -0.130 4.419 4.550 -0.002 0.000 0.293 1293 Y C 1.909 177.935 175.900 0.210 0.000 1.124 1293 Y CA 1.335 59.564 58.100 0.215 0.000 1.178 1293 Y CB 0.163 38.671 38.460 0.079 0.000 1.010 1293 Y HN -0.001 nan 8.280 nan 0.000 0.536 1294 S N 0.198 115.947 115.700 0.082 0.000 2.419 1294 S HA -0.186 4.283 4.470 -0.002 0.000 0.233 1294 S C 1.932 176.503 174.600 -0.048 0.000 1.016 1294 S CA 1.516 59.714 58.200 -0.003 0.000 0.974 1294 S CB -0.246 63.028 63.200 0.122 0.000 0.786 1294 S HN 0.450 nan 8.310 nan 0.000 0.492 1295 K N 0.106 120.519 120.400 0.021 0.000 2.243 1295 K HA 0.022 4.341 4.320 -0.002 0.000 0.201 1295 K C 1.845 178.407 176.600 -0.062 0.000 1.051 1295 K CA 0.498 56.808 56.287 0.038 0.000 0.970 1295 K CB -0.140 32.439 32.500 0.132 0.000 0.755 1295 K HN 0.339 nan 8.250 nan 0.000 0.465 1296 F N 1.751 121.475 119.950 -0.376 0.000 2.098 1296 F HA -0.090 4.435 4.527 -0.002 0.000 0.294 1296 F C 1.605 177.159 175.800 -0.410 0.000 1.107 1296 F CA 1.134 58.708 58.000 -0.710 0.000 1.234 1296 F CB -0.461 38.127 39.000 -0.688 0.000 1.002 1296 F HN -0.091 nan 8.300 nan 0.000 0.472 1297 L N 0.311 121.040 121.223 -0.822 0.000 1.990 1297 L HA -0.223 4.115 4.340 -0.002 0.000 0.213 1297 L C 2.486 179.047 176.870 -0.515 0.000 1.072 1297 L CA 1.698 56.053 54.840 -0.807 0.000 0.755 1297 L CB -0.761 40.928 42.059 -0.617 0.000 0.889 1297 L HN 0.148 nan 8.230 nan 0.000 0.432 1298 E N -0.649 119.374 120.200 -0.295 0.000 2.338 1298 E HA -0.209 4.140 4.350 -0.002 0.000 0.197 1298 E C 1.738 178.283 176.600 -0.092 0.000 1.007 1298 E CA 0.930 57.234 56.400 -0.160 0.000 0.849 1298 E CB -0.118 29.550 29.700 -0.054 0.000 0.774 1298 E HN 0.451 nan 8.360 nan 0.000 0.506 1299 F N 0.381 120.183 119.950 -0.246 0.000 2.104 1299 F HA -0.063 4.463 4.527 -0.002 0.000 0.288 1299 F C 2.196 177.960 175.800 -0.061 0.000 1.107 1299 F CA 0.852 58.788 58.000 -0.108 0.000 1.208 1299 F CB -0.551 38.407 39.000 -0.070 0.000 1.033 1299 F HN -0.187 nan 8.300 nan 0.000 0.478 1300 V N 0.367 119.939 119.914 -0.569 0.000 2.667 1300 V HA -0.146 3.973 4.120 -0.002 0.000 0.252 1300 V C 2.243 178.082 176.094 -0.425 0.000 1.065 1300 V CA 1.214 63.141 62.300 -0.621 0.000 1.083 1300 V CB -0.366 31.101 31.823 -0.594 0.000 0.692 1300 V HN 0.395 nan 8.190 nan 0.000 0.468 1301 L N 0.541 121.506 121.223 -0.429 0.000 1.994 1301 L HA -0.022 4.317 4.340 -0.002 0.000 0.208 1301 L C 0.068 176.787 176.870 -0.253 0.000 1.071 1301 L CA 2.441 57.078 54.840 -0.338 0.000 0.745 1301 L CB -2.130 39.690 42.059 -0.398 0.000 0.892 1301 L HN 0.231 nan 8.230 nan 0.000 0.431 1302 P HA -0.236 nan 4.420 nan 0.000 0.219 1302 P C 1.300 178.390 177.300 -0.351 0.000 1.161 1302 P CA 1.836 64.762 63.100 -0.290 0.000 0.909 1302 P CB -0.101 31.399 31.700 -0.334 0.000 0.793 1303 H N -2.001 116.887 119.070 -0.304 0.000 2.421 1303 H HA -0.048 4.507 4.556 -0.002 0.000 0.298 1303 H C 1.980 177.203 175.328 -0.175 0.000 1.087 1303 H CA 0.956 56.854 56.048 -0.251 0.000 1.330 1303 H CB -0.814 28.739 29.762 -0.347 0.000 1.388 1303 H HN 0.152 nan 8.280 nan 0.000 0.526 1304 I N 0.829 121.348 120.570 -0.085 0.000 2.133 1304 I HA -0.202 3.967 4.170 -0.002 0.000 0.238 1304 I C 1.670 177.756 176.117 -0.051 0.000 1.074 1304 I CA 1.158 62.423 61.300 -0.058 0.000 1.342 1304 I CB -0.137 37.817 38.000 -0.077 0.000 1.053 1304 I HN 0.271 nan 8.210 nan 0.000 0.404 1305 R N 1.662 122.113 120.500 -0.081 0.000 3.907 1305 R HA 0.101 4.440 4.340 -0.002 0.000 0.241 1305 R C -0.102 176.150 176.300 -0.080 0.000 1.784 1305 R CA 0.428 56.487 56.100 -0.069 0.000 1.509 1305 R CB -0.401 29.858 30.300 -0.069 0.000 1.275 1305 R HN 0.468 nan 8.270 nan 0.000 0.642 1306 E N -0.299 119.852 120.200 -0.081 0.000 2.767 1306 E HA 0.115 4.464 4.350 -0.002 0.000 0.192 1306 E C 0.182 176.749 176.600 -0.055 0.000 0.938 1306 E CA 0.126 56.476 56.400 -0.083 0.000 1.312 1306 E CB 1.237 30.857 29.700 -0.133 0.000 1.072 1306 E HN 0.592 nan 8.360 nan 0.000 0.511 1307 G N 2.263 111.040 108.800 -0.038 0.000 2.225 1307 G HA2 -0.374 3.585 3.960 -0.002 0.000 0.267 1307 G HA3 -0.374 3.585 3.960 -0.002 0.000 0.267 1307 G C 0.775 175.667 174.900 -0.012 0.000 1.024 1307 G CA 1.033 46.119 45.100 -0.023 0.000 0.784 1307 G HN 0.216 nan 8.290 nan 0.000 0.507 1308 K N -1.050 119.350 120.400 -0.000 0.000 2.367 1308 K HA 0.397 4.716 4.320 -0.002 0.000 0.194 1308 K C 0.801 177.422 176.600 0.035 0.000 1.027 1308 K CA 0.314 56.622 56.287 0.034 0.000 1.075 1308 K CB 0.520 33.078 32.500 0.096 0.000 0.845 1308 K HN 0.485 nan 8.250 nan 0.000 0.529 1309 I N 1.368 121.950 120.570 0.020 0.000 2.533 1309 I HA 0.098 4.267 4.170 -0.002 0.000 0.290 1309 I C -0.290 175.842 176.117 0.024 0.000 1.056 1309 I CA -0.773 60.540 61.300 0.021 0.000 1.057 1309 I CB 2.254 40.250 38.000 -0.007 0.000 1.240 1309 I HN -0.044 nan 8.210 nan 0.000 0.423 1310 T N 2.525 117.101 114.554 0.038 0.000 2.888 1310 T HA 0.620 4.969 4.350 -0.002 0.000 0.284 1310 T C -1.122 173.687 174.700 0.181 0.000 1.017 1310 T CA -0.678 61.417 62.100 -0.007 0.000 1.022 1310 T CB 1.993 70.704 68.868 -0.262 0.000 1.013 1310 T HN 0.432 nan 8.240 nan 0.000 0.465 1311 Y N 1.870 122.151 120.300 -0.032 0.000 2.358 1311 Y HA 0.525 5.074 4.550 -0.002 0.000 0.324 1311 Y C -1.744 174.159 175.900 0.005 0.000 1.123 1311 Y CA -1.337 56.762 58.100 -0.001 0.000 1.067 1311 Y CB 1.582 39.888 38.460 -0.257 0.000 1.230 1311 Y HN 0.716 nan 8.280 nan 0.000 0.429 1312 V N 6.960 126.750 119.914 -0.206 0.000 2.350 1312 V HA 0.362 4.480 4.120 -0.002 0.000 0.276 1312 V C -0.178 175.614 176.094 -0.503 0.000 1.028 1312 V CA -0.463 61.690 62.300 -0.245 0.000 0.860 1312 V CB 1.127 32.961 31.823 0.019 0.000 0.990 1312 V HN 0.779 nan 8.190 nan 0.000 0.453 1313 E N 2.973 122.908 120.200 -0.442 0.000 2.267 1313 E HA 0.506 4.855 4.350 -0.002 0.000 0.258 1313 E C -1.050 175.463 176.600 -0.145 0.000 1.074 1313 E CA -0.683 55.518 56.400 -0.332 0.000 0.915 1313 E CB 1.500 31.072 29.700 -0.214 0.000 1.186 1313 E HN 0.668 nan 8.360 nan 0.000 0.439 1314 D N 0.447 120.795 120.400 -0.087 0.000 2.336 1314 D HA 0.215 4.854 4.640 -0.002 0.000 0.248 1314 D C -1.726 174.565 176.300 -0.015 0.000 1.326 1314 D CA -0.257 53.716 54.000 -0.044 0.000 0.973 1314 D CB 1.106 41.880 40.800 -0.042 0.000 1.255 1314 D HN 0.028 nan 8.370 nan 0.000 0.558 1315 V N 2.278 122.193 119.914 0.001 0.000 2.407 1315 V HA 0.785 4.904 4.120 -0.002 0.000 0.278 1315 V C 0.466 176.569 176.094 0.014 0.000 1.037 1315 V CA -0.707 61.610 62.300 0.028 0.000 0.900 1315 V CB 1.151 33.007 31.823 0.054 0.000 0.983 1315 V HN 0.644 nan 8.190 nan 0.000 0.459 1316 A N 3.856 126.680 122.820 0.007 0.000 2.330 1316 A HA 0.652 4.971 4.320 -0.002 0.000 0.327 1316 A C -0.439 177.134 177.584 -0.018 0.000 1.155 1316 A CA -0.758 51.273 52.037 -0.009 0.000 0.803 1316 A CB 0.596 19.583 19.000 -0.021 0.000 1.208 1316 A HN 0.800 nan 8.150 nan 0.000 0.477 1317 D N 1.829 122.217 120.400 -0.020 0.000 2.313 1317 D HA 0.472 5.111 4.640 -0.002 0.000 0.239 1317 D C 0.665 176.939 176.300 -0.043 0.000 1.142 1317 D CA 1.229 55.210 54.000 -0.031 0.000 0.847 1317 D CB 1.229 42.016 40.800 -0.022 0.000 1.082 1317 D HN 1.187 nan 8.370 nan 0.000 0.480 1318 G N 1.154 109.915 108.800 -0.066 0.000 2.731 1318 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.686 1318 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.686 1318 G C 0.509 175.378 174.900 -0.052 0.000 1.395 1318 G CA -0.693 44.367 45.100 -0.066 0.000 0.870 1318 G HN 0.459 nan 8.290 nan 0.000 0.591 1319 L N 0.735 121.937 121.223 -0.035 0.000 2.261 1319 L HA 0.043 4.382 4.340 -0.002 0.000 0.216 1319 L C 2.423 179.419 176.870 0.209 0.000 1.114 1319 L CA 2.943 57.799 54.840 0.027 0.000 0.777 1319 L CB -0.286 41.818 42.059 0.075 0.000 0.910 1319 L HN 0.738 nan 8.230 nan 0.000 0.440 1320 E N -1.218 119.082 120.200 0.167 0.000 2.285 1320 E HA -0.123 4.226 4.350 -0.002 0.000 0.194 1320 E C 1.929 178.651 176.600 0.204 0.000 0.997 1320 E CA 0.524 57.078 56.400 0.257 0.000 0.845 1320 E CB -0.054 29.605 29.700 -0.069 0.000 0.782 1320 E HN 0.203 nan 8.360 nan 0.000 0.491 1321 K N 0.372 120.821 120.400 0.082 0.000 2.365 1321 K HA 0.191 4.510 4.320 -0.002 0.000 0.197 1321 K C 1.733 178.340 176.600 0.012 0.000 1.042 1321 K CA 0.683 56.992 56.287 0.038 0.000 0.987 1321 K CB -0.135 32.364 32.500 -0.001 0.000 0.779 1321 K HN 0.140 nan 8.250 nan 0.000 0.484 1322 A N 1.542 124.353 122.820 -0.015 0.000 1.883 1322 A HA -0.108 4.211 4.320 -0.002 0.000 0.217 1322 A C -0.586 176.983 177.584 -0.025 0.000 1.186 1322 A CA 1.427 53.410 52.037 -0.089 0.000 0.624 1322 A CB -1.482 17.379 19.000 -0.231 0.000 0.822 1322 A HN 0.178 nan 8.150 nan 0.000 0.444 1323 P HA -0.193 nan 4.420 nan 0.000 0.215 1323 P C 1.272 178.499 177.300 -0.121 0.000 1.157 1323 P CA 1.648 64.542 63.100 -0.343 0.000 0.868 1323 P CB -0.165 31.370 31.700 -0.276 0.000 0.788 1324 E N -0.448 119.755 120.200 0.005 0.000 2.208 1324 E HA -0.063 4.286 4.350 -0.002 0.000 0.193 1324 E C 1.863 178.482 176.600 0.031 0.000 0.988 1324 E CA 0.933 57.363 56.400 0.050 0.000 0.828 1324 E CB -0.834 28.900 29.700 0.056 0.000 0.763 1324 E HN 0.087 nan 8.360 nan 0.000 0.478 1325 A N 1.770 124.593 122.820 0.005 0.000 1.855 1325 A HA -0.090 4.229 4.320 -0.002 0.000 0.215 1325 A C 2.215 179.790 177.584 -0.016 0.000 1.191 1325 A CA 1.187 53.221 52.037 -0.005 0.000 0.613 1325 A CB -0.682 18.306 19.000 -0.019 0.000 0.829 1325 A HN 0.292 nan 8.150 nan 0.000 0.442 1326 L N -0.212 121.010 121.223 -0.002 0.000 2.083 1326 L HA -0.077 4.262 4.340 -0.002 0.000 0.209 1326 L C 2.340 179.163 176.870 -0.078 0.000 1.083 1326 L CA 1.635 56.449 54.840 -0.044 0.000 0.752 1326 L CB -0.346 41.740 42.059 0.046 0.000 0.899 1326 L HN 0.144 nan 8.230 nan 0.000 0.433 1327 V N -0.379 119.597 119.914 0.104 0.000 2.453 1327 V HA -0.130 3.988 4.120 -0.002 0.000 0.247 1327 V C 2.479 178.721 176.094 0.247 0.000 1.048 1327 V CA 1.605 64.086 62.300 0.301 0.000 1.049 1327 V CB -1.035 30.998 31.823 0.351 0.000 0.672 1327 V HN 0.620 nan 8.190 nan 0.000 0.457 1328 G N -0.398 108.477 108.800 0.124 0.000 2.448 1328 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.218 1328 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.218 1328 G C 1.542 176.481 174.900 0.066 0.000 1.135 1328 G CA 0.853 46.026 45.100 0.121 0.000 0.784 1328 G HN 0.443 nan 8.290 nan 0.000 0.543 1329 L N 0.174 121.341 121.223 -0.093 0.000 1.990 1329 L HA -0.003 4.336 4.340 -0.002 0.000 0.213 1329 L C 2.430 179.216 176.870 -0.140 0.000 1.072 1329 L CA 1.809 56.526 54.840 -0.204 0.000 0.755 1329 L CB -0.670 41.114 42.059 -0.458 0.000 0.889 1329 L HN 0.276 nan 8.230 nan 0.000 0.432 1330 F N -1.567 118.486 119.950 0.172 0.000 2.641 1330 F HA -0.119 4.407 4.527 -0.002 0.000 0.298 1330 F C 1.927 177.762 175.800 0.058 0.000 1.146 1330 F CA 0.582 58.681 58.000 0.165 0.000 1.464 1330 F CB -0.284 38.859 39.000 0.240 0.000 1.101 1330 F HN 0.284 nan 8.300 nan 0.000 0.585 1331 H N -0.698 118.527 119.070 0.259 0.000 2.652 1331 H HA 0.268 4.823 4.556 -0.002 0.000 0.274 1331 H C 1.633 177.016 175.328 0.092 0.000 1.021 1331 H CA 0.811 56.924 56.048 0.109 0.000 1.187 1331 H CB 0.622 30.363 29.762 -0.035 0.000 1.505 1331 H HN 0.199 nan 8.280 nan 0.000 0.530 1332 G N 2.424 111.329 108.800 0.175 0.000 2.303 1332 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.260 1332 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.260 1332 G C 1.068 176.006 174.900 0.062 0.000 1.106 1332 G CA 0.118 45.281 45.100 0.104 0.000 0.900 1332 G HN 0.200 nan 8.290 nan 0.000 0.495 1333 K N -0.114 120.318 120.400 0.053 0.000 2.186 1333 K HA -0.005 4.314 4.320 -0.002 0.000 0.202 1333 K C 1.481 178.084 176.600 0.004 0.000 1.052 1333 K CA 1.003 57.306 56.287 0.026 0.000 0.965 1333 K CB -0.186 32.330 32.500 0.027 0.000 0.746 1333 K HN 0.914 nan 8.250 nan 0.000 0.457 1334 N N -0.430 118.269 118.700 -0.002 0.000 2.381 1334 N HA 0.008 4.747 4.740 -0.002 0.000 0.241 1334 N C 0.760 176.256 175.510 -0.024 0.000 1.279 1334 N CA -0.209 52.832 53.050 -0.016 0.000 0.896 1334 N CB 0.818 39.293 38.487 -0.020 0.000 1.118 1334 N HN -0.334 nan 8.380 nan 0.000 0.438 1335 V N -0.737 119.158 119.914 -0.032 0.000 3.379 1335 V HA 0.345 4.464 4.120 -0.002 0.000 0.249 1335 V C 1.160 177.226 176.094 -0.046 0.000 1.184 1335 V CA 1.085 63.362 62.300 -0.037 0.000 1.106 1335 V CB -0.241 31.565 31.823 -0.029 0.000 0.826 1335 V HN 0.906 nan 8.190 nan 0.000 0.465 1336 G N -0.239 108.526 108.800 -0.060 0.000 3.247 1336 G HA2 0.446 4.405 3.960 -0.002 0.000 0.226 1336 G HA3 0.446 4.405 3.960 -0.002 0.000 0.226 1336 G C -0.782 174.067 174.900 -0.086 0.000 1.220 1336 G CA -0.602 44.446 45.100 -0.087 0.000 0.875 1336 G HN 0.133 nan 8.290 nan 0.000 0.606 1337 K N 0.416 120.744 120.400 -0.120 0.000 2.416 1337 K HA 0.287 4.606 4.320 -0.002 0.000 0.283 1337 K C -0.058 176.521 176.600 -0.035 0.000 1.037 1337 K CA 0.056 56.322 56.287 -0.035 0.000 0.995 1337 K CB 1.055 33.581 32.500 0.045 0.000 0.938 1337 K HN 0.359 nan 8.250 nan 0.000 0.475 1338 Q N 3.618 123.422 119.800 0.005 0.000 2.314 1338 Q HA 0.289 4.628 4.340 -0.002 0.000 0.257 1338 Q C -1.373 174.650 176.000 0.039 0.000 0.975 1338 Q CA -0.480 55.328 55.803 0.008 0.000 0.933 1338 Q CB 0.919 29.657 28.738 0.001 0.000 1.195 1338 Q HN 0.474 nan 8.270 nan 0.000 0.426 1339 V N 4.130 124.067 119.914 0.039 0.000 2.732 1339 V HA 0.595 4.714 4.120 -0.002 0.000 0.310 1339 V C -0.551 175.567 176.094 0.040 0.000 1.053 1339 V CA -0.931 61.414 62.300 0.075 0.000 0.957 1339 V CB 2.105 34.000 31.823 0.120 0.000 1.018 1339 V HN 0.566 nan 8.190 nan 0.000 0.452 1340 V N 3.506 123.424 119.914 0.007 0.000 2.407 1340 V HA 0.346 4.465 4.120 -0.002 0.000 0.291 1340 V C -0.301 175.760 176.094 -0.056 0.000 1.018 1340 V CA -0.600 61.652 62.300 -0.080 0.000 0.842 1340 V CB 1.958 33.624 31.823 -0.262 0.000 0.996 1340 V HN 0.649 nan 8.190 nan 0.000 0.426 1341 V N 7.456 127.335 119.914 -0.058 0.000 2.353 1341 V HA 0.248 4.367 4.120 -0.002 0.000 0.264 1341 V C 0.878 176.828 176.094 -0.240 0.000 1.049 1341 V CA 0.470 62.649 62.300 -0.202 0.000 0.896 1341 V CB 1.405 33.157 31.823 -0.118 0.000 1.025 1341 V HN 0.695 nan 8.190 nan 0.000 0.475 1342 V N 6.440 126.174 119.914 -0.300 0.000 2.244 1342 V HA 0.183 4.301 4.120 -0.002 0.000 0.244 1342 V C 1.102 177.065 176.094 -0.218 0.000 1.042 1342 V CA 1.731 63.891 62.300 -0.233 0.000 1.006 1342 V CB -0.471 31.211 31.823 -0.235 0.000 0.641 1342 V HN 1.019 nan 8.190 nan 0.000 0.446 1343 A N -0.400 122.246 122.820 -0.290 0.000 2.427 1343 A HA 0.668 4.987 4.320 -0.002 0.000 0.298 1343 A C -0.395 177.014 177.584 -0.292 0.000 1.036 1343 A CA -0.599 51.299 52.037 -0.232 0.000 0.701 1343 A CB 1.286 20.164 19.000 -0.203 0.000 1.250 1343 A HN 0.247 nan 8.150 nan 0.000 0.412 1344 R N 0.908 121.292 120.500 -0.193 0.000 2.500 1344 R HA 0.655 4.994 4.340 -0.002 0.000 0.277 1344 R C -0.191 176.071 176.300 -0.063 0.000 1.026 1344 R CA -0.138 55.873 56.100 -0.147 0.000 1.058 1344 R CB 1.149 31.413 30.300 -0.061 0.000 1.078 1344 R HN 0.932 nan 8.270 nan 0.000 0.509 1345 E N 0.000 120.201 120.200 0.001 0.000 2.725 1345 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 1345 E CA 0.000 56.423 56.400 0.039 0.000 0.976 1345 E CB 0.000 29.716 29.700 0.026 0.000 0.812 1345 E HN 0.000 nan 8.360 nan 0.000 0.440