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 2j3i_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 0.000 176.261 176.300 -0.066 0.000 1.140 1001 M CA 0.000 55.276 55.300 -0.041 0.000 0.988 1001 M CB 0.000 32.581 32.600 -0.032 0.000 1.302 1002 T N 0.886 115.400 114.554 -0.067 0.000 2.940 1002 T HA 0.583 4.932 4.350 -0.002 0.000 0.309 1002 T C 0.206 174.830 174.700 -0.127 0.000 1.056 1002 T CA -0.126 61.919 62.100 -0.092 0.000 1.137 1002 T CB 1.573 70.401 68.868 -0.066 0.000 0.976 1002 T HN 0.388 nan 8.240 nan 0.000 0.547 1003 A N 2.250 124.952 122.820 -0.196 0.000 2.402 1003 A HA 0.594 4.913 4.320 -0.002 0.000 0.291 1003 A C 0.223 177.660 177.584 -0.245 0.000 1.051 1003 A CA -0.852 51.030 52.037 -0.259 0.000 0.716 1003 A CB 1.549 20.264 19.000 -0.476 0.000 1.223 1003 A HN 0.917 nan 8.150 nan 0.000 0.425 1004 T N 1.875 116.347 114.554 -0.137 0.000 2.775 1004 T HA 0.194 4.543 4.350 -0.002 0.000 0.287 1004 T C 0.185 174.864 174.700 -0.035 0.000 0.909 1004 T CA -0.055 61.999 62.100 -0.076 0.000 1.081 1004 T CB -1.065 67.778 68.868 -0.042 0.000 0.891 1004 T HN 0.707 nan 8.240 nan 0.000 0.544 1005 N N 4.929 123.615 118.700 -0.024 0.000 2.437 1005 N HA 0.199 4.938 4.740 -0.002 0.000 0.243 1005 N C -0.088 175.457 175.510 0.058 0.000 1.041 1005 N CA -0.542 52.554 53.050 0.076 0.000 0.940 1005 N CB 0.707 39.259 38.487 0.108 0.000 1.133 1005 N HN 0.574 nan 8.380 nan 0.000 0.506 1006 K N 2.295 122.722 120.400 0.044 0.000 2.149 1006 K HA 0.166 4.485 4.320 -0.002 0.000 0.245 1006 K C -0.431 176.196 176.600 0.044 0.000 1.024 1006 K CA 0.063 56.359 56.287 0.016 0.000 0.899 1006 K CB 0.499 32.968 32.500 -0.052 0.000 1.038 1006 K HN 0.690 nan 8.250 nan 0.000 0.496 1007 Q N -0.065 119.778 119.800 0.070 0.000 2.693 1007 Q HA 0.485 4.824 4.340 -0.002 0.000 0.306 1007 Q C -1.700 174.433 176.000 0.221 0.000 0.969 1007 Q CA -1.148 54.731 55.803 0.127 0.000 0.757 1007 Q CB 2.476 31.293 28.738 0.132 0.000 1.494 1007 Q HN 0.291 nan 8.270 nan 0.000 0.459 1008 V N 1.842 121.933 119.914 0.295 0.000 2.686 1008 V HA 0.602 4.720 4.120 -0.002 0.000 0.306 1008 V C -0.621 175.656 176.094 0.305 0.000 1.065 1008 V CA -0.565 61.989 62.300 0.423 0.000 0.894 1008 V CB 1.637 33.784 31.823 0.539 0.000 1.004 1008 V HN 0.678 nan 8.190 nan 0.000 0.424 1009 I N 1.876 122.591 120.570 0.242 0.000 3.206 1009 I HA 0.760 4.929 4.170 -0.002 0.000 0.313 1009 I C -1.452 174.754 176.117 0.148 0.000 1.103 1009 I CA -1.316 60.071 61.300 0.144 0.000 0.985 1009 I CB 2.267 40.319 38.000 0.086 0.000 1.240 1009 I HN 0.469 nan 8.210 nan 0.000 0.464 1010 L N 2.617 123.864 121.223 0.040 0.000 2.287 1010 L HA 0.461 4.800 4.340 -0.002 0.000 0.287 1010 L C 0.831 177.640 176.870 -0.102 0.000 1.022 1010 L CA 0.026 54.840 54.840 -0.045 0.000 0.814 1010 L CB 1.251 43.283 42.059 -0.045 0.000 1.217 1010 L HN 0.637 nan 8.230 nan 0.000 0.420 1011 K N 2.057 122.376 120.400 -0.135 0.000 1.984 1011 K HA 0.035 4.354 4.320 -0.002 0.000 0.209 1011 K C -0.205 176.290 176.600 -0.174 0.000 1.046 1011 K CA 1.147 57.359 56.287 -0.124 0.000 0.934 1011 K CB 0.078 32.512 32.500 -0.111 0.000 0.717 1011 K HN 0.625 nan 8.250 nan 0.000 0.438 1012 D N -1.919 118.352 120.400 -0.214 0.000 2.602 1012 D HA 0.173 4.812 4.640 -0.002 0.000 0.236 1012 D C -1.057 175.096 176.300 -0.246 0.000 1.209 1012 D CA -0.592 53.250 54.000 -0.265 0.000 0.831 1012 D CB 1.120 41.840 40.800 -0.134 0.000 1.478 1012 D HN -0.053 nan 8.370 nan 0.000 0.438 1013 Y N 0.283 120.544 120.300 -0.064 0.000 2.810 1013 Y HA 0.033 4.582 4.550 -0.002 0.000 0.332 1013 Y C 1.013 176.857 175.900 -0.093 0.000 1.243 1013 Y CA -0.108 57.947 58.100 -0.075 0.000 1.537 1013 Y CB 0.365 38.785 38.460 -0.066 0.000 1.265 1013 Y HN -0.055 nan 8.280 nan 0.000 0.572 1014 V N 3.476 123.428 119.914 0.063 0.000 2.732 1014 V HA 0.153 4.272 4.120 -0.002 0.000 0.297 1014 V C 0.001 176.084 176.094 -0.019 0.000 1.060 1014 V CA -0.225 62.062 62.300 -0.022 0.000 1.038 1014 V CB 1.544 33.322 31.823 -0.076 0.000 1.003 1014 V HN 0.743 nan 8.190 nan 0.000 0.481 1015 S N 2.712 118.400 115.700 -0.019 0.000 2.707 1015 S HA 0.742 5.211 4.470 -0.002 0.000 0.312 1015 S C 0.338 174.935 174.600 -0.005 0.000 1.116 1015 S CA 0.224 58.411 58.200 -0.022 0.000 1.078 1015 S CB 1.101 64.297 63.200 -0.006 0.000 0.997 1015 S HN 1.545 nan 8.310 nan 0.000 0.477 1016 G N 3.028 111.805 108.800 -0.039 0.000 2.508 1016 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.220 1016 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.220 1016 G C -0.579 174.277 174.900 -0.073 0.000 1.287 1016 G CA -0.817 44.281 45.100 -0.004 0.000 0.916 1016 G HN 0.552 nan 8.290 nan 0.000 0.574 1017 F N 2.626 122.533 119.950 -0.071 0.000 2.506 1017 F HA 0.442 4.968 4.527 -0.002 0.000 0.351 1017 F C -1.160 174.619 175.800 -0.035 0.000 1.136 1017 F CA -0.574 57.373 58.000 -0.089 0.000 1.298 1017 F CB 0.578 39.622 39.000 0.074 0.000 1.145 1017 F HN 0.226 nan 8.300 nan 0.000 0.593 1018 P HA 0.186 nan 4.420 nan 0.000 0.272 1018 P C -0.623 176.898 177.300 0.369 0.000 1.223 1018 P CA -0.247 62.990 63.100 0.228 0.000 0.784 1018 P CB 0.872 32.788 31.700 0.360 0.000 0.923 1019 T N -3.030 111.697 114.554 0.288 0.000 2.865 1019 T HA 0.342 4.691 4.350 -0.002 0.000 0.294 1019 T C 0.822 175.742 174.700 0.367 0.000 1.119 1019 T CA -0.712 61.550 62.100 0.271 0.000 1.007 1019 T CB 1.306 70.260 68.868 0.145 0.000 1.225 1019 T HN 0.233 nan 8.240 nan 0.000 0.515 1020 E N 0.447 120.823 120.200 0.292 0.000 2.204 1020 E HA -0.090 4.259 4.350 -0.002 0.000 0.195 1020 E C 2.061 178.843 176.600 0.304 0.000 0.990 1020 E CA 1.254 57.842 56.400 0.313 0.000 0.821 1020 E CB -0.134 29.660 29.700 0.157 0.000 0.750 1020 E HN 0.571 nan 8.360 nan 0.000 0.477 1021 S N 1.088 116.881 115.700 0.156 0.000 2.382 1021 S HA -0.136 4.333 4.470 -0.002 0.000 0.228 1021 S C 1.214 175.799 174.600 -0.025 0.000 1.027 1021 S CA 0.932 59.165 58.200 0.054 0.000 0.991 1021 S CB -0.147 63.065 63.200 0.019 0.000 0.823 1021 S HN 0.292 nan 8.310 nan 0.000 0.469 1022 D N 0.529 120.820 120.400 -0.182 0.000 2.403 1022 D HA 0.000 4.639 4.640 -0.002 0.000 0.227 1022 D C -0.488 175.460 176.300 -0.587 0.000 0.995 1022 D CA 0.723 54.453 54.000 -0.450 0.000 0.928 1022 D CB -0.096 40.322 40.800 -0.636 0.000 0.887 1022 D HN 0.356 nan 8.370 nan 0.000 0.529 1023 F N 0.206 120.132 119.950 -0.040 0.000 2.540 1023 F HA 0.381 4.907 4.527 -0.001 0.000 0.317 1023 F C 0.401 176.088 175.800 -0.189 0.000 1.104 1023 F CA -1.282 56.675 58.000 -0.072 0.000 0.913 1023 F CB 1.687 40.672 39.000 -0.024 0.000 1.170 1023 F HN -0.404 nan 8.300 nan 0.000 0.450 1024 D N 0.405 120.820 120.400 0.026 0.000 2.467 1024 D HA 0.495 5.134 4.640 -0.002 0.000 0.245 1024 D C -0.164 176.082 176.300 -0.090 0.000 1.038 1024 D CA -0.368 53.566 54.000 -0.111 0.000 1.038 1024 D CB 1.637 42.424 40.800 -0.022 0.000 1.278 1024 D HN 0.209 nan 8.370 nan 0.000 0.564 1025 F N 0.042 120.046 119.950 0.090 0.000 2.484 1025 F HA 0.214 4.740 4.527 -0.002 0.000 0.268 1025 F C 1.174 177.009 175.800 0.058 0.000 0.965 1025 F CA 0.525 58.569 58.000 0.073 0.000 1.119 1025 F CB -0.816 38.214 39.000 0.050 0.000 1.153 1025 F HN 0.304 nan 8.300 nan 0.000 0.689 1026 T N 0.018 114.738 114.554 0.277 0.000 0.541 1026 T HA -0.177 4.172 4.350 -0.002 0.000 0.774 1026 T C -0.316 174.449 174.700 0.107 0.000 0.992 1026 T CA 0.859 63.050 62.100 0.152 0.000 4.077 1026 T CB -0.556 68.382 68.868 0.116 0.000 2.303 1026 T HN 0.570 nan 8.240 nan 0.000 0.398 1027 T N 1.788 116.382 114.554 0.067 0.000 2.887 1027 T HA 0.812 5.161 4.350 -0.002 0.000 0.292 1027 T C -0.680 174.040 174.700 0.032 0.000 1.087 1027 T CA 0.328 62.453 62.100 0.041 0.000 1.009 1027 T CB 2.002 70.882 68.868 0.019 0.000 1.203 1027 T HN 0.910 nan 8.240 nan 0.000 0.518 1028 T N 0.906 115.473 114.554 0.021 0.000 2.681 1028 T HA 0.649 4.998 4.350 -0.002 0.000 0.296 1028 T C -1.292 173.399 174.700 -0.015 0.000 1.157 1028 T CA -0.754 61.352 62.100 0.009 0.000 1.025 1028 T CB 1.508 70.389 68.868 0.021 0.000 1.441 1028 T HN 0.805 nan 8.240 nan 0.000 0.504 1029 T N -0.382 114.153 114.554 -0.030 0.000 3.008 1029 T HA 0.585 4.934 4.350 -0.002 0.000 0.328 1029 T C -0.473 174.180 174.700 -0.077 0.000 1.020 1029 T CA -0.623 61.438 62.100 -0.066 0.000 1.043 1029 T CB 0.220 69.052 68.868 -0.060 0.000 1.010 1029 T HN 0.395 nan 8.240 nan 0.000 0.466 1030 V N 3.061 122.903 119.914 -0.121 0.000 2.555 1030 V HA 0.234 4.353 4.120 -0.002 0.000 0.286 1030 V C 0.892 176.905 176.094 -0.136 0.000 1.044 1030 V CA -0.505 61.729 62.300 -0.111 0.000 1.026 1030 V CB 0.806 32.557 31.823 -0.119 0.000 0.981 1030 V HN 0.955 nan 8.190 nan 0.000 0.480 1031 E N 4.710 124.863 120.200 -0.078 0.000 2.129 1031 E HA 0.209 4.558 4.350 -0.002 0.000 0.283 1031 E C -0.545 176.019 176.600 -0.061 0.000 1.080 1031 E CA -0.531 55.828 56.400 -0.069 0.000 0.867 1031 E CB 0.537 30.213 29.700 -0.039 0.000 1.056 1031 E HN 0.616 nan 8.360 nan 0.000 0.404 1032 L N 5.671 126.848 121.223 -0.076 0.000 2.505 1032 L HA 0.208 4.547 4.340 -0.002 0.000 0.279 1032 L C 0.347 177.212 176.870 -0.008 0.000 1.211 1032 L CA 0.073 54.889 54.840 -0.040 0.000 1.059 1032 L CB -0.558 41.473 42.059 -0.047 0.000 1.340 1032 L HN 0.368 nan 8.230 nan 0.000 0.447 1033 R N 1.807 122.310 120.500 0.004 0.000 2.734 1033 R HA 0.331 4.670 4.340 -0.002 0.000 0.271 1033 R C -1.378 174.932 176.300 0.017 0.000 1.021 1033 R CA -0.795 55.311 56.100 0.009 0.000 0.893 1033 R CB 1.467 31.768 30.300 0.002 0.000 1.244 1033 R HN -0.001 nan 8.270 nan 0.000 0.464 1034 V N 4.643 124.568 119.914 0.018 0.000 2.479 1034 V HA 0.204 4.323 4.120 -0.002 0.000 0.284 1034 V C -2.103 174.003 176.094 0.020 0.000 0.981 1034 V CA -0.628 61.685 62.300 0.022 0.000 1.139 1034 V CB -0.021 31.815 31.823 0.022 0.000 0.947 1034 V HN 0.615 nan 8.190 nan 0.000 0.468 1035 P HA 0.398 nan 4.420 nan 0.000 0.280 1035 P C -0.635 176.676 177.300 0.019 0.000 1.244 1035 P CA -0.168 62.942 63.100 0.017 0.000 0.784 1035 P CB 0.891 32.599 31.700 0.013 0.000 0.913 1036 E N 0.422 120.631 120.200 0.014 0.000 2.355 1036 E HA 0.669 5.018 4.350 -0.002 0.000 0.261 1036 E C 0.455 177.060 176.600 0.009 0.000 0.943 1036 E CA -0.679 55.730 56.400 0.014 0.000 0.806 1036 E CB 1.613 31.321 29.700 0.014 0.000 1.286 1036 E HN 0.565 nan 8.360 nan 0.000 0.424 1037 G N -0.019 108.785 108.800 0.008 0.000 2.601 1037 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.233 1037 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.233 1037 G C 0.580 175.480 174.900 -0.000 0.000 1.896 1037 G CA 0.093 45.195 45.100 0.004 0.000 1.514 1037 G HN 0.683 nan 8.290 nan 0.000 0.512 1038 T N -0.422 114.128 114.554 -0.008 0.000 3.440 1038 T HA 0.551 4.900 4.350 -0.002 0.000 0.308 1038 T C 0.234 174.917 174.700 -0.028 0.000 1.249 1038 T CA 0.487 62.574 62.100 -0.021 0.000 0.903 1038 T CB 0.388 69.238 68.868 -0.030 0.000 2.240 1038 T HN 0.396 nan 8.240 nan 0.000 0.546 1039 N N 1.634 120.291 118.700 -0.072 0.000 2.817 1039 N HA 0.446 5.185 4.740 -0.002 0.000 0.234 1039 N C -1.180 174.287 175.510 -0.072 0.000 1.066 1039 N CA -0.303 52.690 53.050 -0.096 0.000 0.926 1039 N CB 0.637 38.935 38.487 -0.316 0.000 1.176 1039 N HN 0.505 nan 8.380 nan 0.000 0.506 1040 S N -0.120 115.580 115.700 -0.000 0.000 2.549 1040 S HA 0.722 5.191 4.470 -0.002 0.000 0.297 1040 S C 0.210 174.812 174.600 0.003 0.000 1.115 1040 S CA -0.863 57.331 58.200 -0.011 0.000 1.059 1040 S CB 1.870 65.066 63.200 -0.007 0.000 1.046 1040 S HN 0.237 nan 8.310 nan 0.000 0.506 1041 V N 0.278 120.162 119.914 -0.051 0.000 2.686 1041 V HA 0.657 4.776 4.120 -0.002 0.000 0.306 1041 V C -0.773 175.289 176.094 -0.054 0.000 1.065 1041 V CA -1.154 61.111 62.300 -0.058 0.000 0.894 1041 V CB 1.322 33.056 31.823 -0.149 0.000 1.004 1041 V HN 0.732 nan 8.190 nan 0.000 0.424 1042 L N 6.788 128.005 121.223 -0.010 0.000 2.319 1042 L HA 0.751 5.090 4.340 -0.002 0.000 0.280 1042 L C 0.139 177.016 176.870 0.012 0.000 1.099 1042 L CA 0.357 55.208 54.840 0.019 0.000 0.828 1042 L CB 0.993 43.083 42.059 0.052 0.000 1.150 1042 L HN 0.964 nan 8.230 nan 0.000 0.442 1043 V N 2.578 122.493 119.914 0.001 0.000 3.204 1043 V HA 0.721 4.840 4.120 -0.002 0.000 0.316 1043 V C -0.664 175.389 176.094 -0.069 0.000 1.160 1043 V CA -1.055 61.226 62.300 -0.032 0.000 1.044 1043 V CB 1.713 33.491 31.823 -0.075 0.000 1.136 1043 V HN 0.897 nan 8.190 nan 0.000 0.455 1044 K N 1.414 121.725 120.400 -0.148 0.000 2.656 1044 K HA 0.438 4.757 4.320 -0.002 0.000 0.241 1044 K C -0.968 175.490 176.600 -0.236 0.000 0.967 1044 K CA -0.459 55.610 56.287 -0.363 0.000 0.946 1044 K CB 0.725 32.983 32.500 -0.402 0.000 1.164 1044 K HN 0.782 nan 8.250 nan 0.000 0.459 1045 N N 5.245 123.819 118.700 -0.210 0.000 2.394 1045 N HA -0.020 4.719 4.740 -0.002 0.000 0.288 1045 N C 0.761 176.199 175.510 -0.120 0.000 1.272 1045 N CA -0.008 52.984 53.050 -0.095 0.000 1.004 1045 N CB 0.420 38.876 38.487 -0.051 0.000 1.393 1045 N HN 0.518 nan 8.380 nan 0.000 0.488 1046 L N 1.619 122.801 121.223 -0.068 0.000 1.988 1046 L HA -0.038 4.301 4.340 -0.002 0.000 0.207 1046 L C 0.396 177.072 176.870 -0.324 0.000 1.071 1046 L CA 1.519 56.253 54.840 -0.176 0.000 0.744 1046 L CB -0.891 41.165 42.059 -0.004 0.000 0.893 1046 L HN 0.445 nan 8.230 nan 0.000 0.433 1047 Y N -2.412 117.907 120.300 0.031 0.000 2.621 1047 Y HA 0.666 5.215 4.550 -0.002 0.000 0.334 1047 Y C -0.256 175.691 175.900 0.078 0.000 1.074 1047 Y CA -1.239 56.890 58.100 0.049 0.000 1.149 1047 Y CB 1.356 39.876 38.460 0.100 0.000 1.302 1047 Y HN -0.225 nan 8.280 nan 0.000 0.501 1048 L N 0.308 121.680 121.223 0.249 0.000 2.518 1048 L HA 0.591 4.930 4.340 -0.002 0.000 0.257 1048 L C -0.955 176.075 176.870 0.266 0.000 0.980 1048 L CA -0.425 54.545 54.840 0.217 0.000 0.837 1048 L CB 2.492 44.527 42.059 -0.041 0.000 1.410 1048 L HN 0.596 nan 8.230 nan 0.000 0.410 1049 S N 0.901 116.837 115.700 0.393 0.000 2.500 1049 S HA 0.582 5.051 4.470 -0.002 0.000 0.301 1049 S C -1.088 173.767 174.600 0.426 0.000 1.092 1049 S CA -0.435 57.990 58.200 0.375 0.000 1.030 1049 S CB 0.955 64.402 63.200 0.411 0.000 1.031 1049 S HN 0.660 nan 8.310 nan 0.000 0.483 1050 C N 4.917 124.400 119.300 0.305 0.000 2.168 1050 C HA 0.507 4.966 4.460 -0.002 0.000 0.333 1050 C C -0.317 174.775 174.990 0.170 0.000 1.106 1050 C CA -1.008 58.163 59.018 0.256 0.000 1.574 1050 C CB -1.524 26.312 27.740 0.160 0.000 2.055 1050 C HN 0.733 nan 8.230 nan 0.000 0.473 1051 D N 3.940 124.454 120.400 0.190 0.000 2.192 1051 D HA 0.230 4.869 4.640 -0.002 0.000 0.246 1051 D C -1.916 174.477 176.300 0.154 0.000 1.042 1051 D CA -1.253 52.877 54.000 0.216 0.000 0.847 1051 D CB 1.838 42.916 40.800 0.463 0.000 1.186 1051 D HN 0.125 nan 8.370 nan 0.000 0.461 1052 P HA -0.119 nan 4.420 nan 0.000 0.234 1052 P C 1.117 178.619 177.300 0.338 0.000 1.162 1052 P CA 0.703 63.919 63.100 0.193 0.000 0.759 1052 P CB -0.240 31.495 31.700 0.057 0.000 0.813 1053 Y N -1.844 118.610 120.300 0.257 0.000 2.352 1053 Y HA -0.069 4.480 4.550 -0.002 0.000 0.292 1053 Y C 1.849 177.870 175.900 0.202 0.000 1.136 1053 Y CA 0.877 59.140 58.100 0.272 0.000 1.227 1053 Y CB -1.344 37.242 38.460 0.209 0.000 0.991 1053 Y HN -0.142 nan 8.280 nan 0.000 0.545 1054 M N 0.231 119.695 119.600 -0.226 0.000 2.279 1054 M HA -0.147 4.332 4.480 -0.002 0.000 0.264 1054 M C 2.217 178.518 176.300 0.002 0.000 1.062 1054 M CA 1.793 56.956 55.300 -0.229 0.000 1.099 1054 M CB -0.261 32.233 32.600 -0.177 0.000 1.394 1054 M HN 0.240 nan 8.290 nan 0.000 0.426 1055 R N 1.890 122.481 120.500 0.152 0.000 2.075 1055 R HA -0.105 4.234 4.340 -0.002 0.000 0.232 1055 R C 1.776 178.038 176.300 -0.065 0.000 1.126 1055 R CA 1.573 57.687 56.100 0.023 0.000 0.963 1055 R CB -0.911 29.339 30.300 -0.083 0.000 0.858 1055 R HN 0.597 nan 8.270 nan 0.000 0.435 1056 I N -2.091 118.457 120.570 -0.036 0.000 3.001 1056 I HA 0.082 4.251 4.170 -0.002 0.000 0.268 1056 I C 1.956 177.962 176.117 -0.185 0.000 1.267 1056 I CA 1.082 62.275 61.300 -0.179 0.000 1.472 1056 I CB -0.117 37.715 38.000 -0.279 0.000 1.089 1056 I HN 0.001 nan 8.210 nan 0.000 0.468 1057 R N 0.220 120.581 120.500 -0.231 0.000 2.317 1057 R HA 0.303 4.642 4.340 -0.002 0.000 0.208 1057 R C 1.720 177.611 176.300 -0.681 0.000 0.914 1057 R CA 0.180 55.991 56.100 -0.482 0.000 1.060 1057 R CB 0.090 30.009 30.300 -0.636 0.000 1.015 1057 R HN 0.427 nan 8.270 nan 0.000 0.498 1058 M N -0.954 118.437 119.600 -0.349 0.000 2.534 1058 M HA 0.158 4.637 4.480 -0.002 0.000 0.263 1058 M C 1.119 177.425 176.300 0.010 0.000 1.152 1058 M CA 0.243 55.473 55.300 -0.115 0.000 1.145 1058 M CB 0.536 33.132 32.600 -0.006 0.000 1.333 1058 M HN 0.089 nan 8.290 nan 0.000 0.477 1059 G N 1.152 109.905 108.800 -0.078 0.000 2.636 1059 G HA2 0.025 3.984 3.960 -0.002 0.000 0.246 1059 G HA3 0.025 3.984 3.960 -0.002 0.000 0.246 1059 G C -0.277 174.515 174.900 -0.181 0.000 1.216 1059 G CA -0.481 44.567 45.100 -0.087 0.000 0.854 1059 G HN 0.118 nan 8.290 nan 0.000 0.572 1060 K N 1.876 122.091 120.400 -0.310 0.000 2.472 1060 K HA 0.037 4.356 4.320 -0.002 0.000 0.280 1060 K C -1.722 174.597 176.600 -0.468 0.000 1.028 1060 K CA -0.987 54.908 56.287 -0.653 0.000 1.045 1060 K CB 0.626 32.893 32.500 -0.388 0.000 0.902 1060 K HN 0.222 nan 8.250 nan 0.000 0.478 1061 P HA -0.019 nan 4.420 nan 0.000 0.258 1061 P C -0.487 176.695 177.300 -0.196 0.000 1.563 1061 P CA 0.053 62.981 63.100 -0.286 0.000 1.241 1061 P CB 0.102 31.654 31.700 -0.246 0.000 1.811 1062 D N 4.193 124.489 120.400 -0.174 0.000 2.341 1062 D HA 0.062 4.701 4.640 -0.002 0.000 0.245 1062 D C -0.976 175.254 176.300 -0.117 0.000 1.106 1062 D CA -2.010 51.908 54.000 -0.136 0.000 0.905 1062 D CB 1.535 42.255 40.800 -0.133 0.000 1.202 1062 D HN 0.123 nan 8.370 nan 0.000 0.426 1063 P HA -0.135 nan 4.420 nan 0.000 0.216 1063 P C 1.270 178.519 177.300 -0.085 0.000 1.150 1063 P CA 0.913 63.964 63.100 -0.082 0.000 0.843 1063 P CB 0.327 31.986 31.700 -0.069 0.000 0.787 1064 S N -0.035 115.610 115.700 -0.092 0.000 2.359 1064 S HA -0.132 4.337 4.470 -0.002 0.000 0.224 1064 S C 2.072 176.605 174.600 -0.111 0.000 1.035 1064 S CA 2.303 60.445 58.200 -0.096 0.000 1.018 1064 S CB -1.317 61.824 63.200 -0.099 0.000 0.876 1064 S HN 0.487 nan 8.310 nan 0.000 0.448 1065 T N -0.188 114.289 114.554 -0.129 0.000 3.067 1065 T HA 0.280 4.629 4.350 -0.002 0.000 0.261 1065 T C 1.567 176.196 174.700 -0.119 0.000 1.110 1065 T CA 0.728 62.740 62.100 -0.146 0.000 1.113 1065 T CB -0.223 68.539 68.868 -0.177 0.000 0.917 1065 T HN 0.281 nan 8.240 nan 0.000 0.499 1066 A N 0.947 123.704 122.820 -0.104 0.000 2.239 1066 A HA 0.663 4.982 4.320 -0.002 0.000 0.209 1066 A C 1.705 179.246 177.584 -0.071 0.000 1.171 1066 A CA 0.459 52.446 52.037 -0.084 0.000 0.768 1066 A CB -0.716 18.238 19.000 -0.078 0.000 0.790 1066 A HN 0.740 nan 8.150 nan 0.000 0.478 1067 A N 0.373 123.147 122.820 -0.076 0.000 3.249 1067 A HA 0.625 4.944 4.320 -0.002 0.000 0.297 1067 A C -0.245 177.296 177.584 -0.072 0.000 1.302 1067 A CA -0.222 51.774 52.037 -0.069 0.000 1.074 1067 A CB -0.200 18.758 19.000 -0.070 0.000 1.132 1067 A HN 0.393 nan 8.150 nan 0.000 0.575 1068 L N -0.442 120.743 121.223 -0.063 0.000 0.000 1068 L HA 0.970 5.309 4.340 -0.002 0.000 0.000 1068 L C -0.611 176.230 176.870 -0.047 0.000 0.000 1068 L CA 0.109 54.913 54.840 -0.060 0.000 0.000 1068 L CB 1.863 43.889 42.059 -0.055 0.000 0.000 1068 L HN 0.796 nan 8.230 nan 0.000 0.000 1069 A N 0.473 nan 122.820 nan 0.000 0.000 1069 A HA 0.586 4.904 4.320 -0.002 0.000 0.000 1069 A C -1.595 175.966 177.584 -0.039 0.000 0.000 1069 A CA -0.163 51.850 52.037 -0.040 0.000 0.000 1069 A CB 0.873 19.845 19.000 -0.047 0.000 0.000 1069 A HN 0.690 nan 8.150 nan 0.000 0.000 1070 Q N -1.320 118.442 119.800 -0.063 0.000 2.389 1070 Q HA -0.055 4.284 4.340 -0.002 0.000 0.320 1070 Q C 0.233 176.203 176.000 -0.049 0.000 1.284 1070 Q CA 1.055 56.825 55.803 -0.055 0.000 0.829 1070 Q CB -1.501 27.221 28.738 -0.027 0.000 0.948 1070 Q HN 2.564 nan 8.270 nan 0.000 0.310 1071 A N 4.011 126.783 122.820 -0.080 0.000 2.639 1071 A HA -0.020 4.299 4.320 -0.002 0.000 0.229 1071 A C -0.254 177.373 177.584 0.071 0.000 1.062 1071 A CA 0.590 52.585 52.037 -0.069 0.000 0.761 1071 A CB 0.031 19.044 19.000 0.022 0.000 0.988 1071 A HN 0.463 nan 8.150 nan 0.000 0.510 1072 Y N 0.878 121.236 120.300 0.096 0.000 2.569 1072 Y HA 0.086 4.635 4.550 -0.002 0.000 0.332 1072 Y C 1.378 177.297 175.900 0.032 0.000 1.120 1072 Y CA 0.062 58.184 58.100 0.036 0.000 1.416 1072 Y CB 0.138 38.587 38.460 -0.017 0.000 1.210 1072 Y HN 0.630 nan 8.280 nan 0.000 0.528 1073 T N 7.406 122.060 114.554 0.167 0.000 2.736 1073 T HA 0.016 4.365 4.350 -0.002 0.000 0.275 1073 T C -2.194 172.496 174.700 -0.016 0.000 0.962 1073 T CA -1.030 61.117 62.100 0.078 0.000 1.214 1073 T CB -0.286 68.621 68.868 0.065 0.000 0.904 1073 T HN 0.369 nan 8.240 nan 0.000 0.529 1074 P HA 0.235 nan 4.420 nan 0.000 0.265 1074 P C 0.926 178.145 177.300 -0.135 0.000 1.222 1074 P CA 0.381 63.327 63.100 -0.257 0.000 0.767 1074 P CB 0.759 32.103 31.700 -0.592 0.000 0.801 1075 G N 2.779 111.530 108.800 -0.081 0.000 3.031 1075 G HA2 -0.154 3.804 3.960 -0.002 0.000 0.198 1075 G HA3 -0.154 3.804 3.960 -0.002 0.000 0.198 1075 G C 0.081 174.975 174.900 -0.010 0.000 1.242 1075 G CA -0.456 44.620 45.100 -0.041 0.000 0.878 1075 G HN 0.541 nan 8.290 nan 0.000 0.493 1076 Q N 2.198 121.996 119.800 -0.004 0.000 2.312 1076 Q HA 0.415 4.754 4.340 -0.002 0.000 0.236 1076 Q C -1.909 174.094 176.000 0.005 0.000 0.965 1076 Q CA -1.448 54.362 55.803 0.012 0.000 0.894 1076 Q CB 1.136 29.884 28.738 0.018 0.000 1.225 1076 Q HN 0.363 nan 8.270 nan 0.000 0.478 1077 P HA -0.059 nan 4.420 nan 0.000 0.271 1077 P C -0.122 177.098 177.300 -0.134 0.000 1.228 1077 P CA 0.412 63.514 63.100 0.004 0.000 0.797 1077 P CB 0.517 32.255 31.700 0.063 0.000 0.914 1078 I N 0.560 120.981 120.570 -0.248 0.000 2.529 1078 I HA 0.101 4.270 4.170 -0.002 0.000 0.284 1078 I C 1.218 176.975 176.117 -0.601 0.000 1.082 1078 I CA 0.038 60.873 61.300 -0.775 0.000 1.406 1078 I CB 0.238 37.666 38.000 -0.954 0.000 1.405 1078 I HN 0.335 nan 8.210 nan 0.000 0.548 1079 Q N 4.286 123.702 119.800 -0.641 0.000 2.256 1079 Q HA 0.646 4.985 4.340 -0.002 0.000 0.257 1079 Q C -0.521 175.382 176.000 -0.162 0.000 0.936 1079 Q CA -0.481 55.207 55.803 -0.191 0.000 0.903 1079 Q CB 2.026 30.780 28.738 0.025 0.000 1.263 1079 Q HN 0.907 nan 8.270 nan 0.000 0.440 1080 G N 1.772 110.552 108.800 -0.033 0.000 2.600 1080 G HA2 0.272 4.231 3.960 -0.002 0.000 0.293 1080 G HA3 0.272 4.231 3.960 -0.002 0.000 0.293 1080 G C -2.043 172.976 174.900 0.198 0.000 1.408 1080 G CA -0.689 44.452 45.100 0.070 0.000 0.782 1080 G HN 0.568 nan 8.290 nan 0.000 0.482 1081 Y N 0.334 120.887 120.300 0.423 0.000 2.436 1081 Y HA 0.493 5.041 4.550 -0.002 0.000 0.343 1081 Y C 1.082 177.237 175.900 0.425 0.000 1.008 1081 Y CA 0.915 59.281 58.100 0.443 0.000 1.241 1081 Y CB 1.526 40.283 38.460 0.495 0.000 1.153 1081 Y HN 0.739 nan 8.280 nan 0.000 0.521 1082 G N 1.721 110.868 108.800 0.579 0.000 2.684 1082 G HA2 0.541 4.500 3.960 -0.002 0.000 0.290 1082 G HA3 0.541 4.500 3.960 -0.002 0.000 0.290 1082 G C -1.807 173.357 174.900 0.440 0.000 1.425 1082 G CA -0.821 44.553 45.100 0.458 0.000 0.822 1082 G HN 0.375 nan 8.290 nan 0.000 0.482 1083 V N 0.463 120.612 119.914 0.392 0.000 2.567 1083 V HA 0.750 4.869 4.120 -0.002 0.000 0.289 1083 V C 0.223 176.467 176.094 0.250 0.000 1.049 1083 V CA -0.274 62.234 62.300 0.347 0.000 0.969 1083 V CB 1.180 33.202 31.823 0.332 0.000 0.995 1083 V HN 0.801 nan 8.190 nan 0.000 0.471 1084 S N 3.037 118.843 115.700 0.176 0.000 2.550 1084 S HA 0.556 5.025 4.470 -0.002 0.000 0.270 1084 S C -0.909 173.726 174.600 0.059 0.000 1.145 1084 S CA -0.840 57.410 58.200 0.084 0.000 0.852 1084 S CB 2.164 65.387 63.200 0.038 0.000 1.119 1084 S HN 0.735 nan 8.310 nan 0.000 0.465 1085 R N 1.356 121.867 120.500 0.017 0.000 2.445 1085 R HA 0.495 4.834 4.340 -0.002 0.000 0.308 1085 R C -1.300 175.004 176.300 0.008 0.000 0.961 1085 R CA -0.732 55.381 56.100 0.021 0.000 0.862 1085 R CB 0.497 30.801 30.300 0.006 0.000 1.144 1085 R HN 0.561 nan 8.270 nan 0.000 0.447 1086 I N 6.253 126.843 120.570 0.034 0.000 2.483 1086 I HA -0.062 4.107 4.170 -0.002 0.000 0.291 1086 I C 1.354 177.491 176.117 0.033 0.000 1.112 1086 I CA 0.235 61.552 61.300 0.029 0.000 1.350 1086 I CB 0.656 38.701 38.000 0.075 0.000 1.419 1086 I HN 0.648 nan 8.210 nan 0.000 0.523 1087 I N 4.274 124.865 120.570 0.035 0.000 2.876 1087 I HA 0.076 4.245 4.170 -0.002 0.000 0.264 1087 I C 0.856 177.004 176.117 0.053 0.000 1.204 1087 I CA 0.966 62.302 61.300 0.060 0.000 1.485 1087 I CB -0.525 37.541 38.000 0.110 0.000 1.103 1087 I HN 0.500 nan 8.210 nan 0.000 0.446 1088 E N -0.989 119.236 120.200 0.041 0.000 2.392 1088 E HA 0.312 4.661 4.350 -0.002 0.000 0.279 1088 E C 0.426 177.048 176.600 0.036 0.000 0.964 1088 E CA -0.173 56.249 56.400 0.037 0.000 0.777 1088 E CB 2.179 31.900 29.700 0.035 0.000 1.249 1088 E HN -0.202 nan 8.360 nan 0.000 0.449 1089 S N 0.788 116.512 115.700 0.039 0.000 2.555 1089 S HA -0.229 4.240 4.470 -0.002 0.000 0.267 1089 S C 1.464 176.102 174.600 0.065 0.000 1.109 1089 S CA 2.148 60.377 58.200 0.047 0.000 1.578 1089 S CB -0.660 62.563 63.200 0.039 0.000 1.234 1089 S HN 0.900 nan 8.310 nan 0.000 0.413 1090 G N 1.263 110.102 108.800 0.065 0.000 2.746 1090 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.236 1090 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.236 1090 G C 0.204 175.193 174.900 0.147 0.000 1.172 1090 G CA 1.312 46.461 45.100 0.082 0.000 0.736 1090 G HN 1.019 nan 8.290 nan 0.000 0.519 1091 H N 1.142 120.245 119.070 0.055 0.000 2.679 1091 H HA 0.607 5.162 4.556 -0.002 0.000 0.360 1091 H C -1.231 174.165 175.328 0.114 0.000 1.105 1091 H CA -1.519 54.580 56.048 0.085 0.000 1.196 1091 H CB 1.670 31.489 29.762 0.095 0.000 1.636 1091 H HN -0.027 nan 8.280 nan 0.000 0.531 1092 P HA -0.246 nan 4.420 nan 0.000 0.218 1092 P C 0.248 177.410 177.300 -0.230 0.000 1.132 1092 P CA 2.251 65.360 63.100 0.015 0.000 0.968 1092 P CB 0.267 32.093 31.700 0.211 0.000 0.783 1093 D N -3.193 116.903 120.400 -0.506 0.000 2.324 1093 D HA 0.004 4.643 4.640 -0.002 0.000 0.235 1093 D C -0.126 175.780 176.300 -0.657 0.000 1.095 1093 D CA 0.622 54.359 54.000 -0.439 0.000 0.871 1093 D CB -0.366 40.258 40.800 -0.295 0.000 0.906 1093 D HN 0.348 nan 8.370 nan 0.000 0.522 1094 Y N 0.650 120.666 120.300 -0.472 0.000 2.402 1094 Y HA 0.255 4.804 4.550 -0.002 0.000 0.325 1094 Y C 0.155 175.970 175.900 -0.141 0.000 1.009 1094 Y CA -1.083 56.871 58.100 -0.244 0.000 1.278 1094 Y CB 1.106 39.441 38.460 -0.208 0.000 1.105 1094 Y HN -0.403 nan 8.280 nan 0.000 0.476 1095 K N 2.756 123.163 120.400 0.013 0.000 2.126 1095 K HA 0.200 4.519 4.320 -0.002 0.000 0.257 1095 K C 0.874 177.503 176.600 0.047 0.000 1.007 1095 K CA -0.879 55.415 56.287 0.012 0.000 0.928 1095 K CB 0.635 33.123 32.500 -0.020 0.000 1.013 1095 K HN 0.374 nan 8.250 nan 0.000 0.473 1096 K N 0.966 121.387 120.400 0.034 0.000 2.569 1096 K HA 0.017 4.336 4.320 -0.002 0.000 0.193 1096 K C 0.680 177.299 176.600 0.033 0.000 1.026 1096 K CA 0.731 57.041 56.287 0.038 0.000 1.093 1096 K CB -0.103 32.416 32.500 0.031 0.000 0.849 1096 K HN 0.730 nan 8.250 nan 0.000 0.509 1097 G N 0.193 109.010 108.800 0.027 0.000 2.762 1097 G HA2 -0.027 3.932 3.960 -0.002 0.000 0.209 1097 G HA3 -0.027 3.932 3.960 -0.002 0.000 0.209 1097 G C -0.092 174.826 174.900 0.030 0.000 1.134 1097 G CA -0.315 44.798 45.100 0.022 0.000 0.781 1097 G HN 0.248 nan 8.290 nan 0.000 0.528 1098 D N -0.251 120.176 120.400 0.045 0.000 2.341 1098 D HA 0.252 4.891 4.640 -0.002 0.000 0.233 1098 D C -0.368 175.986 176.300 0.091 0.000 1.270 1098 D CA 0.480 54.520 54.000 0.067 0.000 0.883 1098 D CB 1.171 42.036 40.800 0.109 0.000 1.207 1098 D HN 0.051 nan 8.370 nan 0.000 0.471 1099 L N 1.526 122.812 121.223 0.105 0.000 2.620 1099 L HA 0.273 4.612 4.340 -0.002 0.000 0.261 1099 L C -1.475 175.478 176.870 0.139 0.000 0.978 1099 L CA -0.579 54.317 54.840 0.094 0.000 0.897 1099 L CB 0.947 43.027 42.059 0.035 0.000 1.207 1099 L HN 0.294 nan 8.230 nan 0.000 0.425 1100 L N 1.965 123.308 121.223 0.199 0.000 2.376 1100 L HA 0.896 5.235 4.340 -0.002 0.000 0.267 1100 L C -0.690 176.373 176.870 0.322 0.000 1.035 1100 L CA -0.406 54.596 54.840 0.270 0.000 0.800 1100 L CB 1.158 43.355 42.059 0.231 0.000 1.290 1100 L HN 0.611 nan 8.230 nan 0.000 0.462 1101 W N -0.519 120.913 121.300 0.221 0.000 2.962 1101 W HA 0.879 5.538 4.660 -0.002 0.000 0.341 1101 W C -0.365 176.411 176.519 0.429 0.000 1.155 1101 W CA -0.518 57.001 57.345 0.290 0.000 1.165 1101 W CB 0.782 30.427 29.460 0.307 0.000 1.435 1101 W HN 1.022 nan 8.180 nan 0.000 0.546 1102 G N 0.733 109.872 108.800 0.564 0.000 2.403 1102 G HA2 0.189 4.148 3.960 -0.002 0.000 0.223 1102 G HA3 0.189 4.148 3.960 -0.002 0.000 0.223 1102 G C -2.266 172.946 174.900 0.520 0.000 1.287 1102 G CA -1.025 44.344 45.100 0.448 0.000 0.982 1102 G HN 0.648 nan 8.290 nan 0.000 0.471 1103 I N 1.851 122.579 120.570 0.263 0.000 2.359 1103 I HA 0.510 4.679 4.170 -0.002 0.000 0.284 1103 I C 0.396 176.679 176.117 0.276 0.000 1.018 1103 I CA -0.893 60.460 61.300 0.088 0.000 1.173 1103 I CB 1.168 39.022 38.000 -0.244 0.000 1.326 1103 I HN 0.615 nan 8.210 nan 0.000 0.462 1104 V N 4.043 124.091 119.914 0.222 0.000 3.096 1104 V HA 0.878 4.997 4.120 -0.002 0.000 0.319 1104 V C 0.322 176.516 176.094 0.167 0.000 1.103 1104 V CA -0.704 61.705 62.300 0.181 0.000 1.016 1104 V CB 1.517 33.444 31.823 0.173 0.000 1.090 1104 V HN 0.633 nan 8.190 nan 0.000 0.449 1105 A N 0.817 123.724 122.820 0.144 0.000 2.280 1105 A HA 0.529 4.848 4.320 -0.002 0.000 0.268 1105 A C -0.513 177.260 177.584 0.314 0.000 1.111 1105 A CA -0.427 51.705 52.037 0.158 0.000 0.814 1105 A CB 0.123 19.189 19.000 0.110 0.000 1.093 1105 A HN 0.935 nan 8.150 nan 0.000 0.498 1106 W N 1.512 122.804 121.300 -0.014 0.000 1.518 1106 W HA 0.378 5.038 4.660 -0.001 0.000 0.426 1106 W C 0.393 176.918 176.519 0.011 0.000 0.675 1106 W CA -0.112 57.231 57.345 -0.003 0.000 1.936 1106 W CB -0.593 28.852 29.460 -0.023 0.000 1.749 1106 W HN 0.718 nan 8.180 nan 0.000 0.247 1107 E N -1.385 118.902 120.200 0.146 0.000 2.412 1107 E HA 0.255 4.604 4.350 -0.002 0.000 0.279 1107 E C 0.269 176.891 176.600 0.036 0.000 0.984 1107 E CA -0.715 55.737 56.400 0.087 0.000 0.788 1107 E CB 1.514 31.280 29.700 0.111 0.000 1.277 1107 E HN 0.050 nan 8.360 nan 0.000 0.455 1108 E N 0.282 120.508 120.200 0.043 0.000 2.085 1108 E HA -0.145 4.204 4.350 -0.002 0.000 0.194 1108 E C -0.284 176.284 176.600 -0.054 0.000 0.994 1108 E CA 1.446 57.856 56.400 0.018 0.000 0.801 1108 E CB -0.032 29.765 29.700 0.161 0.000 0.743 1108 E HN 0.390 nan 8.360 nan 0.000 0.453 1109 Y N 0.416 120.714 120.300 -0.003 0.000 2.705 1109 Y HA 0.218 4.767 4.550 -0.002 0.000 0.355 1109 Y C -0.328 175.576 175.900 0.007 0.000 1.039 1109 Y CA -0.433 57.666 58.100 -0.001 0.000 1.233 1109 Y CB 1.342 39.798 38.460 -0.006 0.000 1.103 1109 Y HN -0.202 nan 8.280 nan 0.000 0.624 1110 S N 1.139 116.887 115.700 0.081 0.000 2.593 1110 S HA 0.525 4.994 4.470 -0.002 0.000 0.269 1110 S C -0.139 174.488 174.600 0.046 0.000 1.334 1110 S CA -0.588 57.651 58.200 0.065 0.000 1.015 1110 S CB 0.991 64.219 63.200 0.047 0.000 0.912 1110 S HN 0.231 nan 8.310 nan 0.000 0.541 1111 V N 3.441 123.374 119.914 0.032 0.000 2.495 1111 V HA 0.616 4.735 4.120 -0.002 0.000 0.298 1111 V C -0.088 175.995 176.094 -0.018 0.000 1.031 1111 V CA -0.700 61.604 62.300 0.006 0.000 0.871 1111 V CB 0.977 32.810 31.823 0.016 0.000 0.988 1111 V HN 0.804 nan 8.190 nan 0.000 0.432 1112 I N 0.359 120.886 120.570 -0.071 0.000 2.828 1112 I HA 0.724 4.893 4.170 -0.002 0.000 0.302 1112 I C -0.514 175.553 176.117 -0.082 0.000 1.101 1112 I CA -0.529 60.724 61.300 -0.079 0.000 1.031 1112 I CB 2.709 40.570 38.000 -0.231 0.000 1.231 1112 I HN 0.411 nan 8.210 nan 0.000 0.427 1113 T N 4.482 119.031 114.554 -0.009 0.000 2.801 1113 T HA 0.410 4.759 4.350 -0.002 0.000 0.306 1113 T C -2.530 172.195 174.700 0.042 0.000 1.020 1113 T CA -1.026 61.061 62.100 -0.023 0.000 0.948 1113 T CB 0.814 69.672 68.868 -0.017 0.000 0.962 1113 T HN 0.438 nan 8.240 nan 0.000 0.465 1114 P HA 0.202 nan 4.420 nan 0.000 0.267 1114 P C -0.180 177.134 177.300 0.023 0.000 1.328 1114 P CA -0.281 62.878 63.100 0.099 0.000 0.990 1114 P CB 0.179 31.804 31.700 -0.125 0.000 1.168 1115 M N 1.910 121.483 119.600 -0.045 0.000 2.274 1115 M HA 0.122 4.600 4.480 -0.002 0.000 0.344 1115 M C 1.645 177.826 176.300 -0.198 0.000 1.161 1115 M CA 0.016 55.252 55.300 -0.107 0.000 1.126 1115 M CB 0.533 33.073 32.600 -0.101 0.000 1.522 1115 M HN 0.202 nan 8.290 nan 0.000 0.461 1116 T N 0.923 115.415 114.554 -0.104 0.000 2.721 1116 T HA -0.183 4.166 4.350 -0.002 0.000 0.268 1116 T C 0.466 174.929 174.700 -0.396 0.000 1.038 1116 T CA 1.801 63.794 62.100 -0.178 0.000 1.145 1116 T CB -0.356 68.501 68.868 -0.017 0.000 0.858 1116 T HN 0.593 nan 8.240 nan 0.000 0.459 1117 H N -0.555 118.445 119.070 -0.116 0.000 2.534 1117 H HA 0.754 5.309 4.556 -0.002 0.000 0.250 1117 H C 0.769 176.058 175.328 -0.065 0.000 1.256 1117 H CA -0.114 55.987 56.048 0.089 0.000 1.000 1117 H CB 0.113 30.138 29.762 0.437 0.000 1.801 1117 H HN 0.323 nan 8.280 nan 0.000 0.569 1118 A N -0.444 122.081 122.820 -0.492 0.000 1.949 1118 A HA 0.183 4.502 4.320 -0.002 0.000 0.200 1118 A C -0.127 176.858 177.584 -0.999 0.000 1.832 1118 A CA 0.018 51.694 52.037 -0.601 0.000 1.004 1118 A CB 0.592 19.213 19.000 -0.631 0.000 1.102 1118 A HN 0.284 nan 8.150 nan 0.000 0.595 1119 H N -0.475 118.092 119.070 -0.839 0.000 2.511 1119 H HA 0.592 5.147 4.556 -0.002 0.000 0.328 1119 H C -1.800 172.980 175.328 -0.914 0.000 1.044 1119 H CA -0.984 54.629 56.048 -0.725 0.000 1.212 1119 H CB 0.576 30.126 29.762 -0.354 0.000 1.428 1119 H HN 0.299 nan 8.280 nan 0.000 0.483 1120 F N 1.555 121.334 119.950 -0.284 0.000 2.460 1120 F HA 0.267 4.793 4.527 -0.002 0.000 0.341 1120 F C 0.767 176.653 175.800 0.143 0.000 1.130 1120 F CA -0.937 56.961 58.000 -0.169 0.000 0.962 1120 F CB 1.524 40.239 39.000 -0.477 0.000 1.171 1120 F HN 0.202 nan 8.300 nan 0.000 0.436 1121 K N 4.004 124.640 120.400 0.393 0.000 2.416 1121 K HA 0.335 4.654 4.320 -0.002 0.000 0.283 1121 K C -0.330 176.466 176.600 0.326 0.000 1.037 1121 K CA -0.127 56.341 56.287 0.302 0.000 0.995 1121 K CB 0.479 33.016 32.500 0.061 0.000 0.938 1121 K HN 0.630 nan 8.250 nan 0.000 0.475 1122 I N 4.658 125.353 120.570 0.207 0.000 2.529 1122 I HA -0.043 4.126 4.170 -0.002 0.000 0.284 1122 I C 0.943 177.107 176.117 0.079 0.000 1.082 1122 I CA 0.257 61.584 61.300 0.044 0.000 1.406 1122 I CB 1.342 39.147 38.000 -0.325 0.000 1.405 1122 I HN 0.770 nan 8.210 nan 0.000 0.548 1123 Q N 3.055 122.956 119.800 0.168 0.000 2.477 1123 Q HA 0.198 4.537 4.340 -0.002 0.000 0.252 1123 Q C -0.174 175.828 176.000 0.004 0.000 0.869 1123 Q CA 0.171 56.020 55.803 0.077 0.000 0.969 1123 Q CB 0.624 29.420 28.738 0.097 0.000 1.144 1123 Q HN 0.560 nan 8.270 nan 0.000 0.577 1124 H N 0.772 119.899 119.070 0.095 0.000 2.652 1124 H HA 0.311 4.866 4.556 -0.002 0.000 0.298 1124 H C -0.679 174.712 175.328 0.104 0.000 1.076 1124 H CA 0.168 56.270 56.048 0.091 0.000 1.360 1124 H CB 1.095 30.915 29.762 0.097 0.000 1.421 1124 H HN -0.036 nan 8.280 nan 0.000 0.464 1125 T N 3.417 118.032 114.554 0.102 0.000 2.892 1125 T HA 0.181 4.530 4.350 -0.002 0.000 0.311 1125 T C 0.124 174.839 174.700 0.025 0.000 1.033 1125 T CA -0.806 61.331 62.100 0.062 0.000 0.991 1125 T CB 0.514 69.394 68.868 0.020 0.000 0.981 1125 T HN 0.813 nan 8.240 nan 0.000 0.457 1126 D N 0.235 120.645 120.400 0.016 0.000 2.649 1126 D HA 0.049 4.688 4.640 -0.002 0.000 0.507 1126 D C -0.092 176.162 176.300 -0.077 0.000 1.091 1126 D CA -0.311 53.675 54.000 -0.023 0.000 1.076 1126 D CB -0.219 40.576 40.800 -0.008 0.000 1.647 1126 D HN 0.474 nan 8.370 nan 0.000 0.356 1127 V N -1.812 118.049 119.914 -0.088 0.000 2.735 1127 V HA 0.794 4.913 4.120 -0.002 0.000 0.310 1127 V C -2.698 173.257 176.094 -0.232 0.000 1.061 1127 V CA -2.315 59.839 62.300 -0.244 0.000 0.913 1127 V CB 1.337 33.018 31.823 -0.235 0.000 1.005 1127 V HN -0.218 nan 8.190 nan 0.000 0.428 1128 P HA 0.125 nan 4.420 nan 0.000 0.261 1128 P C 0.619 177.861 177.300 -0.097 0.000 1.173 1128 P CA 0.017 62.961 63.100 -0.260 0.000 0.760 1128 P CB 0.495 31.991 31.700 -0.340 0.000 0.783 1129 L N 2.936 124.116 121.223 -0.073 0.000 2.265 1129 L HA -0.175 4.163 4.340 -0.002 0.000 0.215 1129 L C 2.149 178.827 176.870 -0.321 0.000 1.117 1129 L CA 1.953 56.746 54.840 -0.078 0.000 0.782 1129 L CB -1.113 40.906 42.059 -0.066 0.000 0.914 1129 L HN 0.414 nan 8.230 nan 0.000 0.441 1130 S N -2.389 112.947 115.700 -0.607 0.000 2.595 1130 S HA -0.165 4.304 4.470 -0.002 0.000 0.235 1130 S C 1.727 176.383 174.600 0.094 0.000 0.974 1130 S CA 0.499 58.440 58.200 -0.433 0.000 0.942 1130 S CB -0.646 62.409 63.200 -0.242 0.000 0.766 1130 S HN 0.377 nan 8.310 nan 0.000 0.536 1131 Y N 0.363 120.600 120.300 -0.105 0.000 2.519 1131 Y HA 0.276 4.825 4.550 -0.002 0.000 0.287 1131 Y C 0.991 176.679 175.900 -0.354 0.000 1.128 1131 Y CA -0.754 57.228 58.100 -0.196 0.000 1.282 1131 Y CB -0.556 37.724 38.460 -0.301 0.000 1.027 1131 Y HN 0.361 nan 8.280 nan 0.000 0.551 1132 Y N -0.485 119.738 120.300 -0.127 0.000 2.477 1132 Y HA 0.005 4.554 4.550 -0.002 0.000 0.303 1132 Y C 1.799 177.458 175.900 -0.403 0.000 1.202 1132 Y CA 0.891 58.778 58.100 -0.355 0.000 1.282 1132 Y CB -0.145 38.173 38.460 -0.237 0.000 1.071 1132 Y HN 0.107 nan 8.280 nan 0.000 0.510 1133 T N -4.786 109.718 114.554 -0.084 0.000 3.043 1133 T HA 0.470 4.819 4.350 -0.002 0.000 0.272 1133 T C 0.972 175.652 174.700 -0.033 0.000 0.990 1133 T CA 0.337 62.438 62.100 0.003 0.000 0.897 1133 T CB 0.221 69.189 68.868 0.167 0.000 1.111 1133 T HN 0.205 nan 8.240 nan 0.000 0.529 1134 G N 1.328 110.054 108.800 -0.123 0.000 3.359 1134 G HA2 0.470 4.429 3.960 -0.002 0.000 0.187 1134 G HA3 0.470 4.429 3.960 -0.002 0.000 0.187 1134 G C 0.547 175.212 174.900 -0.392 0.000 1.294 1134 G CA -0.057 44.979 45.100 -0.107 0.000 0.769 1134 G HN 0.152 nan 8.290 nan 0.000 0.733 1135 L N -0.321 120.414 121.223 -0.813 0.000 2.082 1135 L HA -0.118 4.221 4.340 -0.002 0.000 0.223 1135 L C 2.345 179.001 176.870 -0.356 0.000 1.086 1135 L CA 1.708 56.096 54.840 -0.754 0.000 0.793 1135 L CB -0.249 41.012 42.059 -1.330 0.000 0.896 1135 L HN 0.259 nan 8.230 nan 0.000 0.441 1136 L N -1.458 119.477 121.223 -0.479 0.000 2.592 1136 L HA 0.296 4.635 4.340 -0.002 0.000 0.227 1136 L C 1.196 177.863 176.870 -0.338 0.000 1.127 1136 L CA 0.790 55.395 54.840 -0.393 0.000 0.884 1136 L CB -0.995 40.461 42.059 -1.006 0.000 1.065 1136 L HN 0.295 nan 8.230 nan 0.000 0.457 1137 G N -2.280 106.150 108.800 -0.617 0.000 3.135 1137 G HA2 0.240 4.199 3.960 -0.002 0.000 0.159 1137 G HA3 0.240 4.199 3.960 -0.002 0.000 0.159 1137 G C 0.932 175.439 174.900 -0.654 0.000 1.244 1137 G CA -0.139 44.213 45.100 -1.247 0.000 0.965 1137 G HN -0.102 nan 8.290 nan 0.000 0.599 1138 M N 0.859 120.141 119.600 -0.530 0.000 2.065 1138 M HA -0.027 4.452 4.480 -0.002 0.000 0.259 1138 M C -0.564 175.658 176.300 -0.130 0.000 1.071 1138 M CA 1.857 57.076 55.300 -0.135 0.000 1.109 1138 M CB -1.614 30.800 32.600 -0.310 0.000 1.313 1138 M HN 0.148 nan 8.290 nan 0.000 0.408 1139 P HA 0.008 nan 4.420 nan 0.000 0.226 1139 P C 1.290 178.521 177.300 -0.115 0.000 1.153 1139 P CA 1.565 64.628 63.100 -0.063 0.000 0.777 1139 P CB -0.530 31.160 31.700 -0.017 0.000 0.794 1140 G N -0.850 107.827 108.800 -0.204 0.000 2.411 1140 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.213 1140 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.213 1140 G C 1.423 176.047 174.900 -0.460 0.000 1.166 1140 G CA 0.361 45.322 45.100 -0.231 0.000 0.802 1140 G HN 0.073 nan 8.290 nan 0.000 0.533 1141 M N 1.297 120.565 119.600 -0.553 0.000 2.296 1141 M HA -0.009 4.470 4.480 -0.002 0.000 0.265 1141 M C 2.500 178.696 176.300 -0.173 0.000 1.064 1141 M CA 1.010 56.012 55.300 -0.496 0.000 1.109 1141 M CB -1.072 31.456 32.600 -0.120 0.000 1.396 1141 M HN 0.158 nan 8.290 nan 0.000 0.430 1142 T N 0.690 115.205 114.554 -0.065 0.000 2.701 1142 T HA -0.041 4.308 4.350 -0.002 0.000 0.263 1142 T C 1.720 176.490 174.700 0.116 0.000 1.040 1142 T CA 1.636 63.797 62.100 0.101 0.000 1.147 1142 T CB -0.272 68.679 68.868 0.139 0.000 0.865 1142 T HN 0.487 nan 8.240 nan 0.000 0.426 1143 A N -0.150 122.663 122.820 -0.010 0.000 2.121 1143 A HA -0.031 4.287 4.320 -0.002 0.000 0.218 1143 A C 1.986 179.490 177.584 -0.133 0.000 1.154 1143 A CA 1.142 53.096 52.037 -0.138 0.000 0.679 1143 A CB -0.683 18.172 19.000 -0.241 0.000 0.795 1143 A HN 0.625 nan 8.150 nan 0.000 0.458 1144 Y N -0.331 119.834 120.300 -0.225 0.000 2.262 1144 Y HA 0.270 4.819 4.550 -0.002 0.000 0.295 1144 Y C 2.499 178.257 175.900 -0.236 0.000 1.121 1144 Y CA 0.872 58.836 58.100 -0.227 0.000 1.144 1144 Y CB -0.381 38.025 38.460 -0.090 0.000 1.043 1144 Y HN 0.227 nan 8.280 nan 0.000 0.528 1145 A N -0.458 122.195 122.820 -0.279 0.000 2.016 1145 A HA 0.103 4.422 4.320 -0.002 0.000 0.217 1145 A C 2.248 179.352 177.584 -0.800 0.000 1.162 1145 A CA 1.254 52.874 52.037 -0.696 0.000 0.662 1145 A CB -1.283 17.088 19.000 -1.050 0.000 0.812 1145 A HN 0.549 nan 8.150 nan 0.000 0.450 1146 G N -2.329 106.174 108.800 -0.495 0.000 2.603 1146 G HA2 0.074 4.033 3.960 -0.002 0.000 0.214 1146 G HA3 0.074 4.033 3.960 -0.002 0.000 0.214 1146 G C 1.198 175.976 174.900 -0.202 0.000 1.140 1146 G CA 0.897 45.568 45.100 -0.715 0.000 0.800 1146 G HN 0.474 nan 8.290 nan 0.000 0.533 1147 F N -0.900 118.921 119.950 -0.215 0.000 2.559 1147 F HA 0.354 4.880 4.527 -0.001 0.000 0.286 1147 F C 2.012 177.665 175.800 -0.244 0.000 1.108 1147 F CA 0.070 57.959 58.000 -0.185 0.000 1.436 1147 F CB 0.581 39.401 39.000 -0.300 0.000 1.130 1147 F HN 0.039 nan 8.300 nan 0.000 0.584 1148 Y N 0.336 120.500 120.300 -0.226 0.000 2.269 1148 Y HA 0.098 4.647 4.550 -0.002 0.000 0.294 1148 Y C 1.973 177.672 175.900 -0.335 0.000 1.120 1148 Y CA 1.035 58.933 58.100 -0.338 0.000 1.159 1148 Y CB -0.657 37.497 38.460 -0.511 0.000 1.024 1148 Y HN 0.115 nan 8.280 nan 0.000 0.532 1149 E N -0.576 119.510 120.200 -0.190 0.000 2.499 1149 E HA 0.239 4.588 4.350 -0.002 0.000 0.199 1149 E C 0.414 176.927 176.600 -0.146 0.000 1.016 1149 E CA 0.028 56.352 56.400 -0.127 0.000 0.933 1149 E CB 0.291 29.965 29.700 -0.042 0.000 1.050 1149 E HN 0.141 nan 8.360 nan 0.000 0.462 1150 V N -1.499 118.261 119.914 -0.258 0.000 4.454 1150 V HA -0.132 3.987 4.120 -0.002 0.000 0.159 1150 V C 1.569 177.509 176.094 -0.256 0.000 1.262 1150 V CA 0.110 62.241 62.300 -0.283 0.000 1.223 1150 V CB 0.085 31.573 31.823 -0.559 0.000 1.452 1150 V HN 0.372 nan 8.190 nan 0.000 0.595 1151 C N 1.599 120.717 119.300 -0.303 0.000 2.402 1151 C HA -0.030 4.429 4.460 -0.002 0.000 0.301 1151 C C 1.495 176.323 174.990 -0.270 0.000 1.455 1151 C CA 0.367 59.215 59.018 -0.283 0.000 1.787 1151 C CB -1.936 25.569 27.740 -0.393 0.000 1.726 1151 C HN 0.703 nan 8.230 nan 0.000 0.565 1152 S N 1.195 116.746 115.700 -0.248 0.000 3.245 1152 S HA -0.143 4.326 4.470 -0.002 0.000 0.306 1152 S C -2.243 172.248 174.600 -0.181 0.000 0.878 1152 S CA 0.284 58.374 58.200 -0.184 0.000 1.354 1152 S CB -1.021 62.110 63.200 -0.115 0.000 0.969 1152 S HN 0.583 nan 8.310 nan 0.000 0.493 1153 P HA 0.477 nan 4.420 nan 0.000 0.281 1153 P C -0.294 176.964 177.300 -0.069 0.000 1.249 1153 P CA -0.572 62.410 63.100 -0.196 0.000 0.810 1153 P CB 0.762 32.250 31.700 -0.354 0.000 1.008 1154 K N 1.592 121.983 120.400 -0.015 0.000 2.316 1154 K HA 0.306 4.625 4.320 -0.002 0.000 0.251 1154 K C -0.071 176.562 176.600 0.056 0.000 0.934 1154 K CA -0.704 55.590 56.287 0.012 0.000 0.802 1154 K CB 1.914 34.416 32.500 0.003 0.000 1.171 1154 K HN 0.490 nan 8.250 nan 0.000 0.426 1155 E N 0.055 120.292 120.200 0.062 0.000 2.481 1155 E HA 0.008 4.357 4.350 -0.002 0.000 0.263 1155 E C 0.849 177.501 176.600 0.086 0.000 0.992 1155 E CA 1.195 57.647 56.400 0.085 0.000 0.938 1155 E CB 0.178 29.919 29.700 0.068 0.000 0.933 1155 E HN 0.885 nan 8.360 nan 0.000 0.453 1156 G N 2.777 111.644 108.800 0.111 0.000 2.241 1156 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.244 1156 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.244 1156 G C 0.122 175.108 174.900 0.144 0.000 0.998 1156 G CA 0.120 45.288 45.100 0.114 0.000 0.621 1156 G HN 0.559 nan 8.290 nan 0.000 0.519 1157 E N 1.309 121.599 120.200 0.149 0.000 2.373 1157 E HA 0.414 4.763 4.350 -0.002 0.000 0.267 1157 E C 0.379 177.129 176.600 0.251 0.000 1.032 1157 E CA 0.155 56.654 56.400 0.165 0.000 0.889 1157 E CB 0.550 30.324 29.700 0.124 0.000 0.984 1157 E HN 0.114 nan 8.360 nan 0.000 0.425 1158 T N 1.964 116.681 114.554 0.271 0.000 2.940 1158 T HA 0.203 4.552 4.350 -0.002 0.000 0.309 1158 T C -0.468 174.446 174.700 0.356 0.000 1.056 1158 T CA -0.142 62.210 62.100 0.421 0.000 1.137 1158 T CB 0.347 69.431 68.868 0.360 0.000 0.976 1158 T HN 0.117 nan 8.240 nan 0.000 0.547 1159 V N 4.040 124.248 119.914 0.491 0.000 2.888 1159 V HA 0.474 4.593 4.120 -0.002 0.000 0.309 1159 V C -1.395 175.065 176.094 0.611 0.000 1.114 1159 V CA -1.059 61.495 62.300 0.423 0.000 0.940 1159 V CB 2.044 34.117 31.823 0.417 0.000 1.021 1159 V HN 0.767 nan 8.190 nan 0.000 0.426 1160 Y N 3.608 124.125 120.300 0.362 0.000 2.391 1160 Y HA 0.836 5.385 4.550 -0.002 0.000 0.341 1160 Y C -0.997 175.171 175.900 0.446 0.000 0.965 1160 Y CA -1.459 56.948 58.100 0.512 0.000 1.067 1160 Y CB 1.932 40.655 38.460 0.439 0.000 1.199 1160 Y HN 0.509 nan 8.280 nan 0.000 0.450 1161 V N 5.020 125.072 119.914 0.230 0.000 2.769 1161 V HA 0.803 4.922 4.120 -0.002 0.000 0.312 1161 V C -1.128 174.781 176.094 -0.309 0.000 1.061 1161 V CA -0.284 61.971 62.300 -0.076 0.000 0.931 1161 V CB 2.172 34.042 31.823 0.078 0.000 1.010 1161 V HN 0.871 nan 8.190 nan 0.000 0.433 1162 S N 3.573 119.082 115.700 -0.319 0.000 2.568 1162 S HA 0.756 5.225 4.470 -0.002 0.000 0.293 1162 S C 0.053 174.564 174.600 -0.147 0.000 1.089 1162 S CA 0.202 58.258 58.200 -0.240 0.000 0.945 1162 S CB 1.534 64.597 63.200 -0.228 0.000 1.077 1162 S HN 2.503 nan 8.310 nan 0.000 0.485 1163 A N 1.271 124.025 122.820 -0.110 0.000 2.667 1163 A HA -0.129 4.190 4.320 -0.002 0.000 0.298 1163 A C 1.103 178.606 177.584 -0.135 0.000 1.483 1163 A CA 0.981 52.968 52.037 -0.083 0.000 0.738 1163 A CB -2.025 16.932 19.000 -0.073 0.000 1.067 1163 A HN 1.655 nan 8.150 nan 0.000 0.451 1164 A N -0.558 122.145 122.820 -0.194 0.000 2.209 1164 A HA 0.384 4.703 4.320 -0.002 0.000 0.212 1164 A C 1.197 178.578 177.584 -0.340 0.000 1.158 1164 A CA 1.409 53.254 52.037 -0.320 0.000 0.742 1164 A CB -0.070 18.614 19.000 -0.527 0.000 0.790 1164 A HN 1.380 nan 8.150 nan 0.000 0.472 1165 S N -0.043 115.522 115.700 -0.225 0.000 2.150 1165 S HA 0.582 5.051 4.470 -0.002 0.000 0.171 1165 S C -0.024 174.495 174.600 -0.134 0.000 1.620 1165 S CA 0.067 58.160 58.200 -0.178 0.000 1.190 1165 S CB 0.653 63.800 63.200 -0.088 0.000 1.102 1165 S HN 0.897 nan 8.310 nan 0.000 0.464 1166 G N 0.182 108.875 108.800 -0.178 0.000 2.579 1166 G HA2 0.555 4.514 3.960 -0.002 0.000 0.292 1166 G HA3 0.555 4.514 3.960 -0.002 0.000 0.292 1166 G C 0.495 175.313 174.900 -0.136 0.000 1.484 1166 G CA -0.107 44.919 45.100 -0.125 0.000 0.813 1166 G HN 0.373 nan 8.290 nan 0.000 0.515 1167 A N -0.371 122.408 122.820 -0.067 0.000 2.038 1167 A HA -0.083 4.236 4.320 -0.002 0.000 0.224 1167 A C 2.198 179.746 177.584 -0.062 0.000 1.190 1167 A CA 3.211 55.247 52.037 -0.001 0.000 0.668 1167 A CB -0.437 18.587 19.000 0.041 0.000 0.820 1167 A HN 1.169 nan 8.150 nan 0.000 0.474 1168 V N -1.547 118.306 119.914 -0.102 0.000 2.502 1168 V HA 0.101 4.220 4.120 -0.002 0.000 0.234 1168 V C 2.648 178.577 176.094 -0.275 0.000 1.072 1168 V CA 1.144 63.349 62.300 -0.158 0.000 1.094 1168 V CB -1.380 30.405 31.823 -0.063 0.000 0.761 1168 V HN 0.528 nan 8.190 nan 0.000 0.489 1169 G N 0.507 109.154 108.800 -0.255 0.000 2.615 1169 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.213 1169 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.213 1169 G C 1.244 176.031 174.900 -0.189 0.000 1.135 1169 G CA 1.104 46.046 45.100 -0.262 0.000 0.772 1169 G HN 0.734 nan 8.290 nan 0.000 0.542 1170 Q N -1.367 118.249 119.800 -0.308 0.000 2.378 1170 Q HA 0.301 4.639 4.340 -0.002 0.000 0.229 1170 Q C 2.075 177.873 176.000 -0.337 0.000 0.882 1170 Q CA -0.185 55.339 55.803 -0.465 0.000 0.936 1170 Q CB -0.223 27.762 28.738 -1.255 0.000 1.092 1170 Q HN 0.288 nan 8.270 nan 0.000 0.535 1171 L N 0.726 121.788 121.223 -0.267 0.000 2.249 1171 L HA 0.099 4.438 4.340 -0.002 0.000 0.207 1171 L C 1.984 178.665 176.870 -0.315 0.000 1.090 1171 L CA 0.787 55.505 54.840 -0.204 0.000 0.802 1171 L CB -0.056 41.916 42.059 -0.146 0.000 0.947 1171 L HN 0.075 nan 8.230 nan 0.000 0.453 1172 V N 0.308 119.963 119.914 -0.430 0.000 2.255 1172 V HA -0.236 3.883 4.120 -0.002 0.000 0.247 1172 V C 2.561 178.259 176.094 -0.659 0.000 1.051 1172 V CA 2.052 63.953 62.300 -0.665 0.000 1.018 1172 V CB -1.369 29.944 31.823 -0.850 0.000 0.641 1172 V HN 0.606 nan 8.190 nan 0.000 0.445 1173 G N -1.685 106.847 108.800 -0.446 0.000 2.499 1173 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.221 1173 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.221 1173 G C 1.466 175.972 174.900 -0.657 0.000 1.109 1173 G CA 0.850 45.534 45.100 -0.694 0.000 0.749 1173 G HN 0.583 nan 8.290 nan 0.000 0.568 1174 Q N -0.944 118.593 119.800 -0.437 0.000 2.134 1174 Q HA 0.120 4.459 4.340 -0.002 0.000 0.195 1174 Q C 2.528 178.395 176.000 -0.222 0.000 0.958 1174 Q CA 0.305 55.952 55.803 -0.260 0.000 0.840 1174 Q CB -0.163 28.506 28.738 -0.115 0.000 0.918 1174 Q HN 0.339 nan 8.270 nan 0.000 0.467 1175 L N 1.025 122.072 121.223 -0.293 0.000 2.127 1175 L HA -0.201 4.138 4.340 -0.002 0.000 0.211 1175 L C 2.177 178.844 176.870 -0.337 0.000 1.089 1175 L CA 1.768 56.453 54.840 -0.259 0.000 0.757 1175 L CB -1.067 40.688 42.059 -0.506 0.000 0.899 1175 L HN 0.160 nan 8.230 nan 0.000 0.434 1176 A N -0.709 121.707 122.820 -0.674 0.000 1.821 1176 A HA -0.204 4.115 4.320 -0.002 0.000 0.215 1176 A C 2.259 179.788 177.584 -0.091 0.000 1.216 1176 A CA 1.530 53.323 52.037 -0.407 0.000 0.615 1176 A CB -0.586 18.144 19.000 -0.450 0.000 0.862 1176 A HN 0.204 nan 8.150 nan 0.000 0.450 1177 K N -0.764 119.552 120.400 -0.141 0.000 2.184 1177 K HA -0.224 4.095 4.320 -0.002 0.000 0.210 1177 K C 1.679 178.294 176.600 0.023 0.000 1.048 1177 K CA 1.960 58.214 56.287 -0.057 0.000 0.931 1177 K CB -0.655 31.776 32.500 -0.115 0.000 0.718 1177 K HN 0.569 nan 8.250 nan 0.000 0.465 1178 M N 0.408 120.034 119.600 0.044 0.000 2.763 1178 M HA -0.065 4.414 4.480 -0.002 0.000 0.244 1178 M C 1.037 177.423 176.300 0.143 0.000 1.065 1178 M CA 0.933 56.303 55.300 0.116 0.000 1.070 1178 M CB -0.139 32.566 32.600 0.174 0.000 1.494 1178 M HN 0.162 nan 8.290 nan 0.000 0.546 1179 M N -3.596 116.087 119.600 0.138 0.000 4.045 1179 M HA 0.460 4.939 4.480 -0.002 0.000 0.498 1179 M C 0.522 176.900 176.300 0.131 0.000 1.896 1179 M CA 0.043 55.428 55.300 0.142 0.000 0.626 1179 M CB -0.054 32.655 32.600 0.181 0.000 1.458 1179 M HN 0.103 nan 8.290 nan 0.000 0.556 1180 G N 1.203 110.070 108.800 0.111 0.000 2.187 1180 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.261 1180 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.261 1180 G C 0.235 175.222 174.900 0.146 0.000 1.000 1180 G CA 0.380 45.547 45.100 0.112 0.000 0.718 1180 G HN 0.697 nan 8.290 nan 0.000 0.519 1181 C N -1.538 117.861 119.300 0.166 0.000 2.639 1181 C HA 0.429 4.888 4.460 -0.002 0.000 0.360 1181 C C 1.075 176.223 174.990 0.263 0.000 1.351 1181 C CA 0.102 59.253 59.018 0.221 0.000 2.408 1181 C CB 0.347 28.239 27.740 0.252 0.000 2.517 1181 C HN 0.488 nan 8.230 nan 0.000 0.696 1182 Y N 1.287 121.702 120.300 0.193 0.000 2.850 1182 Y HA 0.441 4.990 4.550 -0.002 0.000 0.360 1182 Y C 0.081 176.153 175.900 0.287 0.000 1.174 1182 Y CA -0.590 57.631 58.100 0.203 0.000 1.373 1182 Y CB -0.122 38.469 38.460 0.218 0.000 1.487 1182 Y HN 0.482 nan 8.280 nan 0.000 0.553 1183 V N 2.901 122.816 119.914 0.003 0.000 2.529 1183 V HA 0.194 4.313 4.120 -0.002 0.000 0.292 1183 V C 0.221 176.326 176.094 0.018 0.000 1.028 1183 V CA -0.562 61.772 62.300 0.057 0.000 1.074 1183 V CB 0.356 32.126 31.823 -0.088 0.000 0.958 1183 V HN 0.333 nan 8.190 nan 0.000 0.481 1184 V N 3.914 123.964 119.914 0.227 0.000 2.815 1184 V HA 0.937 5.056 4.120 -0.002 0.000 0.314 1184 V C 0.740 177.122 176.094 0.479 0.000 1.064 1184 V CA 0.281 62.711 62.300 0.217 0.000 0.952 1184 V CB 1.968 33.724 31.823 -0.111 0.000 1.020 1184 V HN 1.152 nan 8.190 nan 0.000 0.439 1185 G N 1.553 110.431 108.800 0.130 0.000 3.042 1185 G HA2 0.815 4.774 3.960 -0.002 0.000 0.278 1185 G HA3 0.815 4.774 3.960 -0.002 0.000 0.278 1185 G C -0.858 173.926 174.900 -0.193 0.000 1.371 1185 G CA -0.184 44.811 45.100 -0.175 0.000 1.009 1185 G HN 1.050 nan 8.290 nan 0.000 0.523 1186 S N -2.033 113.515 115.700 -0.252 0.000 2.537 1186 S HA 0.899 5.368 4.470 -0.002 0.000 0.270 1186 S C -0.654 173.864 174.600 -0.137 0.000 1.142 1186 S CA 0.012 58.007 58.200 -0.342 0.000 0.870 1186 S CB 1.728 64.687 63.200 -0.402 0.000 1.112 1186 S HN 2.343 nan 8.310 nan 0.000 0.466 1187 A N 0.776 123.548 122.820 -0.079 0.000 2.601 1187 A HA 0.851 5.170 4.320 -0.002 0.000 0.291 1187 A C 0.584 177.998 177.584 -0.283 0.000 1.075 1187 A CA -0.421 51.602 52.037 -0.023 0.000 0.671 1187 A CB 0.449 19.396 19.000 -0.089 0.000 1.277 1187 A HN 1.612 nan 8.150 nan 0.000 0.417 1188 G N -0.205 108.331 108.800 -0.439 0.000 2.426 1188 G HA2 0.276 4.235 3.960 -0.002 0.000 0.214 1188 G HA3 0.276 4.235 3.960 -0.002 0.000 0.214 1188 G C 0.941 175.656 174.900 -0.308 0.000 1.156 1188 G CA 1.201 45.875 45.100 -0.709 0.000 0.802 1188 G HN 1.280 nan 8.290 nan 0.000 0.534 1189 S N 0.021 115.624 115.700 -0.163 0.000 2.548 1189 S HA 0.210 4.679 4.470 -0.002 0.000 0.277 1189 S C 1.440 175.994 174.600 -0.077 0.000 1.315 1189 S CA -0.370 57.774 58.200 -0.094 0.000 1.050 1189 S CB 1.035 64.203 63.200 -0.053 0.000 0.918 1189 S HN 0.357 nan 8.310 nan 0.000 0.497 1190 K N 2.549 122.915 120.400 -0.057 0.000 2.286 1190 K HA -0.174 4.144 4.320 -0.002 0.000 0.203 1190 K C 1.559 178.145 176.600 -0.024 0.000 1.045 1190 K CA 1.886 58.152 56.287 -0.035 0.000 0.935 1190 K CB -0.053 32.433 32.500 -0.024 0.000 0.737 1190 K HN 0.834 nan 8.250 nan 0.000 0.460 1191 E N 0.485 120.671 120.200 -0.024 0.000 2.431 1191 E HA 0.014 4.362 4.350 -0.002 0.000 0.200 1191 E C 1.501 178.093 176.600 -0.013 0.000 0.995 1191 E CA 0.327 56.718 56.400 -0.015 0.000 0.915 1191 E CB 0.181 29.874 29.700 -0.013 0.000 0.930 1191 E HN 0.031 nan 8.360 nan 0.000 0.496 1192 K N 0.558 120.944 120.400 -0.024 0.000 2.155 1192 K HA -0.019 4.300 4.320 -0.002 0.000 0.203 1192 K C 2.014 178.600 176.600 -0.024 0.000 1.052 1192 K CA 1.008 57.284 56.287 -0.019 0.000 0.948 1192 K CB -0.002 32.475 32.500 -0.038 0.000 0.728 1192 K HN 0.166 nan 8.250 nan 0.000 0.448 1193 V N 1.101 120.991 119.914 -0.040 0.000 2.515 1193 V HA -0.189 3.930 4.120 -0.002 0.000 0.250 1193 V C 1.135 177.227 176.094 -0.004 0.000 1.058 1193 V CA 1.956 64.231 62.300 -0.041 0.000 1.064 1193 V CB -0.196 31.607 31.823 -0.032 0.000 0.675 1193 V HN 0.262 nan 8.190 nan 0.000 0.461 1194 D N -0.092 120.310 120.400 0.005 0.000 2.310 1194 D HA -0.062 4.577 4.640 -0.002 0.000 0.212 1194 D C 1.813 178.129 176.300 0.027 0.000 0.965 1194 D CA 0.980 54.989 54.000 0.015 0.000 0.879 1194 D CB 0.193 40.995 40.800 0.004 0.000 0.921 1194 D HN 0.430 nan 8.370 nan 0.000 0.510 1195 L N 0.077 121.329 121.223 0.048 0.000 2.270 1195 L HA -0.063 4.276 4.340 -0.002 0.000 0.210 1195 L C 2.055 179.049 176.870 0.208 0.000 1.104 1195 L CA 0.549 55.433 54.840 0.072 0.000 0.804 1195 L CB -0.252 41.879 42.059 0.120 0.000 0.937 1195 L HN 0.007 nan 8.230 nan 0.000 0.450 1196 L N -0.646 120.693 121.223 0.194 0.000 2.027 1196 L HA -0.142 4.197 4.340 -0.002 0.000 0.206 1196 L C 2.470 179.518 176.870 0.296 0.000 1.074 1196 L CA 1.584 56.561 54.840 0.229 0.000 0.745 1196 L CB -1.107 40.850 42.059 -0.170 0.000 0.898 1196 L HN 0.174 nan 8.230 nan 0.000 0.433 1197 K N -0.762 119.725 120.400 0.146 0.000 2.057 1197 K HA -0.108 4.211 4.320 -0.002 0.000 0.206 1197 K C 1.904 178.567 176.600 0.104 0.000 1.050 1197 K CA 1.799 58.161 56.287 0.125 0.000 0.935 1197 K CB -0.106 32.437 32.500 0.072 0.000 0.715 1197 K HN 0.601 nan 8.250 nan 0.000 0.439 1198 T N -1.782 112.815 114.554 0.071 0.000 3.535 1198 T HA 0.021 4.370 4.350 -0.002 0.000 0.223 1198 T C 1.934 176.631 174.700 -0.004 0.000 0.933 1198 T CA 0.448 62.563 62.100 0.026 0.000 1.445 1198 T CB -0.319 68.547 68.868 -0.004 0.000 1.286 1198 T HN -0.136 nan 8.240 nan 0.000 0.436 1199 K N 0.710 121.059 120.400 -0.085 0.000 2.059 1199 K HA -0.022 4.297 4.320 -0.002 0.000 0.212 1199 K C 1.849 178.258 176.600 -0.319 0.000 1.050 1199 K CA 1.863 57.995 56.287 -0.257 0.000 0.927 1199 K CB -0.933 31.311 32.500 -0.426 0.000 0.714 1199 K HN 0.461 nan 8.250 nan 0.000 0.447 1200 F N -1.879 118.129 119.950 0.096 0.000 2.387 1200 F HA 0.230 4.756 4.527 -0.001 0.000 0.294 1200 F C 1.912 177.734 175.800 0.036 0.000 1.093 1200 F CA 1.087 59.155 58.000 0.115 0.000 1.420 1200 F CB 0.493 39.656 39.000 0.272 0.000 1.086 1200 F HN 0.351 nan 8.300 nan 0.000 0.531 1201 G N -1.185 107.750 108.800 0.226 0.000 2.797 1201 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.195 1201 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.195 1201 G C 0.230 175.147 174.900 0.029 0.000 1.026 1201 G CA -0.680 44.446 45.100 0.044 0.000 0.759 1201 G HN 0.043 nan 8.290 nan 0.000 0.475 1202 F N 2.954 122.930 119.950 0.043 0.000 2.594 1202 F HA 0.089 4.615 4.527 -0.002 0.000 0.384 1202 F C 1.623 177.403 175.800 -0.034 0.000 1.060 1202 F CA 1.086 59.080 58.000 -0.009 0.000 1.278 1202 F CB 0.477 39.475 39.000 -0.002 0.000 0.977 1202 F HN 0.089 nan 8.300 nan 0.000 0.576 1203 D N 0.808 121.226 120.400 0.030 0.000 2.264 1203 D HA -0.131 4.508 4.640 -0.002 0.000 0.208 1203 D C 0.401 176.709 176.300 0.013 0.000 0.966 1203 D CA 1.469 55.464 54.000 -0.009 0.000 0.864 1203 D CB 0.122 40.840 40.800 -0.137 0.000 0.933 1203 D HN 0.476 nan 8.370 nan 0.000 0.499 1204 D N -1.621 118.782 120.400 0.006 0.000 2.653 1204 D HA 0.556 5.195 4.640 -0.002 0.000 0.258 1204 D C -1.684 174.654 176.300 0.063 0.000 1.252 1204 D CA -0.469 53.550 54.000 0.031 0.000 0.777 1204 D CB 2.047 42.838 40.800 -0.015 0.000 1.339 1204 D HN -0.018 nan 8.370 nan 0.000 0.422 1205 A N 0.198 123.072 122.820 0.089 0.000 2.586 1205 A HA 0.735 5.054 4.320 -0.002 0.000 0.291 1205 A C -1.880 175.819 177.584 0.191 0.000 1.062 1205 A CA -0.729 51.344 52.037 0.060 0.000 0.666 1205 A CB 0.890 19.839 19.000 -0.086 0.000 1.281 1205 A HN 0.595 nan 8.150 nan 0.000 0.421 1206 F N -0.601 119.353 119.950 0.006 0.000 2.662 1206 F HA 0.711 5.237 4.527 -0.002 0.000 0.312 1206 F C -0.615 175.201 175.800 0.028 0.000 1.113 1206 F CA -1.232 56.776 58.000 0.013 0.000 0.951 1206 F CB 1.430 40.442 39.000 0.021 0.000 1.344 1206 F HN 0.420 nan 8.300 nan 0.000 0.462 1207 N N 1.609 120.428 118.700 0.198 0.000 2.558 1207 N HA 0.083 4.822 4.740 -0.002 0.000 0.233 1207 N C 0.456 176.046 175.510 0.133 0.000 1.038 1207 N CA -0.410 52.648 53.050 0.014 0.000 0.934 1207 N CB 0.372 38.855 38.487 -0.007 0.000 1.175 1207 N HN 0.888 nan 8.380 nan 0.000 0.512 1208 Y N 2.785 123.177 120.300 0.153 0.000 2.403 1208 Y HA -0.036 4.513 4.550 -0.002 0.000 0.291 1208 Y C 2.025 178.023 175.900 0.164 0.000 1.143 1208 Y CA 0.915 59.155 58.100 0.233 0.000 1.257 1208 Y CB 0.106 38.652 38.460 0.144 0.000 0.984 1208 Y HN 0.279 nan 8.280 nan 0.000 0.550 1209 K N 1.052 121.380 120.400 -0.121 0.000 2.186 1209 K HA -0.102 4.217 4.320 -0.002 0.000 0.202 1209 K C 1.183 177.794 176.600 0.019 0.000 1.052 1209 K CA 1.096 57.368 56.287 -0.025 0.000 0.965 1209 K CB -0.022 32.351 32.500 -0.211 0.000 0.746 1209 K HN 0.355 nan 8.250 nan 0.000 0.457 1210 E N 1.128 121.332 120.200 0.006 0.000 2.427 1210 E HA -0.012 4.337 4.350 -0.002 0.000 0.196 1210 E C -0.051 176.588 176.600 0.065 0.000 1.028 1210 E CA 0.377 56.795 56.400 0.031 0.000 0.864 1210 E CB 0.261 29.974 29.700 0.021 0.000 0.813 1210 E HN 0.238 nan 8.360 nan 0.000 0.514 1211 E N 0.830 121.100 120.200 0.117 0.000 2.167 1211 E HA 0.100 4.449 4.350 -0.002 0.000 0.284 1211 E C 0.802 177.473 176.600 0.119 0.000 1.016 1211 E CA -0.100 56.373 56.400 0.122 0.000 0.817 1211 E CB 1.481 31.299 29.700 0.196 0.000 1.080 1211 E HN 0.026 nan 8.360 nan 0.000 0.397 1212 S N 2.623 118.365 115.700 0.070 0.000 2.339 1212 S HA -0.029 4.440 4.470 -0.002 0.000 0.213 1212 S C 0.733 175.366 174.600 0.055 0.000 1.033 1212 S CA 0.115 58.353 58.200 0.063 0.000 0.950 1212 S CB 0.016 63.241 63.200 0.042 0.000 0.893 1212 S HN 0.374 nan 8.310 nan 0.000 0.492 1213 D N 1.819 122.237 120.400 0.029 0.000 2.393 1213 D HA 0.201 4.840 4.640 -0.002 0.000 0.232 1213 D C 1.067 177.379 176.300 0.020 0.000 1.192 1213 D CA -0.353 53.661 54.000 0.024 0.000 0.882 1213 D CB 0.400 41.204 40.800 0.006 0.000 1.038 1213 D HN 0.110 nan 8.370 nan 0.000 0.499 1214 L N 3.329 124.587 121.223 0.059 0.000 1.990 1214 L HA -0.220 4.119 4.340 -0.002 0.000 0.213 1214 L C 1.639 178.530 176.870 0.035 0.000 1.072 1214 L CA 1.742 56.638 54.840 0.093 0.000 0.755 1214 L CB -0.908 41.233 42.059 0.136 0.000 0.889 1214 L HN 0.424 nan 8.230 nan 0.000 0.432 1215 T N 0.038 114.609 114.554 0.028 0.000 2.833 1215 T HA -0.140 4.209 4.350 -0.002 0.000 0.269 1215 T C 1.925 176.607 174.700 -0.030 0.000 1.054 1215 T CA 1.135 63.240 62.100 0.008 0.000 1.135 1215 T CB -0.311 68.567 68.868 0.016 0.000 0.869 1215 T HN 0.516 nan 8.240 nan 0.000 0.466 1216 A N 1.621 124.414 122.820 -0.044 0.000 1.902 1216 A HA 0.121 4.440 4.320 -0.002 0.000 0.217 1216 A C 2.689 180.193 177.584 -0.133 0.000 1.181 1216 A CA 1.848 53.845 52.037 -0.066 0.000 0.623 1216 A CB -1.181 17.783 19.000 -0.060 0.000 0.818 1216 A HN 0.523 nan 8.150 nan 0.000 0.443 1217 A N -0.538 122.145 122.820 -0.229 0.000 1.877 1217 A HA -0.043 4.276 4.320 -0.002 0.000 0.216 1217 A C 2.048 179.350 177.584 -0.470 0.000 1.186 1217 A CA 1.709 53.451 52.037 -0.492 0.000 0.620 1217 A CB -0.640 17.810 19.000 -0.917 0.000 0.822 1217 A HN 0.426 nan 8.150 nan 0.000 0.443 1218 L N -0.291 120.775 121.223 -0.261 0.000 2.201 1218 L HA -0.102 4.236 4.340 -0.002 0.000 0.212 1218 L C 2.395 179.315 176.870 0.083 0.000 1.105 1218 L CA 1.862 56.682 54.840 -0.033 0.000 0.775 1218 L CB -0.322 41.766 42.059 0.048 0.000 0.913 1218 L HN 0.453 nan 8.230 nan 0.000 0.440 1219 K N -0.799 119.602 120.400 0.002 0.000 2.211 1219 K HA -0.137 4.182 4.320 -0.002 0.000 0.203 1219 K C 2.241 178.839 176.600 -0.002 0.000 1.050 1219 K CA 0.735 57.036 56.287 0.023 0.000 0.945 1219 K CB 0.173 32.670 32.500 -0.005 0.000 0.732 1219 K HN 0.091 nan 8.250 nan 0.000 0.451 1220 R N 0.498 120.953 120.500 -0.076 0.000 2.052 1220 R HA -0.016 4.323 4.340 -0.002 0.000 0.226 1220 R C 2.434 178.676 176.300 -0.097 0.000 1.145 1220 R CA 1.221 57.268 56.100 -0.089 0.000 0.952 1220 R CB -1.201 29.017 30.300 -0.137 0.000 0.847 1220 R HN 0.297 nan 8.270 nan 0.000 0.431 1221 C N 0.266 119.453 119.300 -0.187 0.000 2.393 1221 C HA -0.114 4.345 4.460 -0.002 0.000 0.276 1221 C C 1.161 175.927 174.990 -0.373 0.000 1.215 1221 C CA 0.467 59.297 59.018 -0.313 0.000 1.743 1221 C CB -1.021 26.421 27.740 -0.497 0.000 2.044 1221 C HN 0.202 nan 8.230 nan 0.000 0.464 1222 F N 1.954 121.977 119.950 0.122 0.000 2.291 1222 F HA 0.314 4.840 4.527 -0.002 0.000 0.368 1222 F C -1.136 174.692 175.800 0.046 0.000 1.085 1222 F CA -2.216 55.867 58.000 0.137 0.000 1.165 1222 F CB 0.078 39.160 39.000 0.137 0.000 1.429 1222 F HN 0.122 nan 8.300 nan 0.000 0.503 1223 P HA -0.122 nan 4.420 nan 0.000 0.225 1223 P C -0.072 177.275 177.300 0.079 0.000 1.148 1223 P CA 1.197 64.340 63.100 0.070 0.000 0.779 1223 P CB 0.270 31.979 31.700 0.015 0.000 0.780 1224 N N -0.139 118.629 118.700 0.114 0.000 2.467 1224 N HA 0.357 5.095 4.740 -0.002 0.000 0.278 1224 N C 0.360 175.945 175.510 0.124 0.000 1.306 1224 N CA -0.025 53.080 53.050 0.092 0.000 0.905 1224 N CB 0.566 39.084 38.487 0.052 0.000 1.236 1224 N HN 0.060 nan 8.380 nan 0.000 0.509 1225 G N 1.114 110.005 108.800 0.151 0.000 2.888 1225 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.441 1225 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.441 1225 G C -0.519 174.364 174.900 -0.027 0.000 1.461 1225 G CA -0.697 44.446 45.100 0.072 0.000 0.897 1225 G HN 0.218 nan 8.290 nan 0.000 0.547 1226 I N 1.289 121.756 120.570 -0.172 0.000 2.354 1226 I HA 0.235 4.404 4.170 -0.002 0.000 0.286 1226 I C 0.778 176.833 176.117 -0.103 0.000 1.007 1226 I CA -0.776 60.322 61.300 -0.337 0.000 1.167 1226 I CB 1.411 39.120 38.000 -0.485 0.000 1.320 1226 I HN 0.594 nan 8.210 nan 0.000 0.458 1227 D N 5.334 125.722 120.400 -0.020 0.000 2.085 1227 D HA 0.073 4.712 4.640 -0.002 0.000 0.199 1227 D C 0.780 177.113 176.300 0.055 0.000 0.981 1227 D CA 1.573 55.596 54.000 0.038 0.000 0.834 1227 D CB 0.492 41.335 40.800 0.071 0.000 0.992 1227 D HN 0.346 nan 8.370 nan 0.000 0.457 1228 I N -0.610 120.015 120.570 0.092 0.000 2.664 1228 I HA 0.182 4.351 4.170 -0.002 0.000 0.308 1228 I C -0.824 175.438 176.117 0.242 0.000 0.984 1228 I CA -0.745 60.631 61.300 0.127 0.000 1.213 1228 I CB 1.540 39.613 38.000 0.121 0.000 1.379 1228 I HN -0.074 nan 8.210 nan 0.000 0.501 1229 Y N 4.953 125.296 120.300 0.071 0.000 2.307 1229 Y HA 0.409 4.958 4.550 -0.002 0.000 0.323 1229 Y C -1.673 174.276 175.900 0.081 0.000 1.100 1229 Y CA -1.276 56.871 58.100 0.079 0.000 1.140 1229 Y CB 1.128 39.612 38.460 0.040 0.000 1.159 1229 Y HN 0.358 nan 8.280 nan 0.000 0.436 1230 F N 5.231 124.932 119.950 -0.415 0.000 2.404 1230 F HA 0.485 5.012 4.527 -0.002 0.000 0.345 1230 F C -0.174 175.082 175.800 -0.907 0.000 1.110 1230 F CA -0.156 57.583 58.000 -0.434 0.000 1.130 1230 F CB 0.881 39.796 39.000 -0.142 0.000 1.129 1230 F HN 0.588 nan 8.300 nan 0.000 0.500 1231 E N 4.664 124.468 120.200 -0.659 0.000 2.244 1231 E HA 0.241 4.590 4.350 -0.002 0.000 0.260 1231 E C -0.706 175.763 176.600 -0.218 0.000 0.884 1231 E CA -0.466 55.599 56.400 -0.557 0.000 0.777 1231 E CB 0.693 30.059 29.700 -0.557 0.000 1.197 1231 E HN 0.650 nan 8.360 nan 0.000 0.416 1232 N N 2.955 121.584 118.700 -0.120 0.000 2.205 1232 N HA 0.063 4.802 4.740 -0.002 0.000 0.201 1232 N C 0.536 175.972 175.510 -0.124 0.000 1.128 1232 N CA 0.271 53.273 53.050 -0.079 0.000 0.867 1232 N CB 1.302 39.772 38.487 -0.028 0.000 0.996 1232 N HN 0.231 nan 8.380 nan 0.000 0.503 1233 V N -0.387 119.462 119.914 -0.108 0.000 2.939 1233 V HA 0.401 4.520 4.120 -0.002 0.000 0.228 1233 V C 1.057 177.126 176.094 -0.042 0.000 1.162 1233 V CA 0.954 63.197 62.300 -0.095 0.000 1.222 1233 V CB -0.204 31.554 31.823 -0.108 0.000 1.053 1233 V HN 0.372 nan 8.190 nan 0.000 0.504 1234 G N -0.943 107.866 108.800 0.014 0.000 2.796 1234 G HA2 0.355 4.314 3.960 -0.002 0.000 0.571 1234 G HA3 0.355 4.314 3.960 -0.002 0.000 0.571 1234 G C 0.610 175.517 174.900 0.012 0.000 1.370 1234 G CA -0.255 44.865 45.100 0.034 0.000 0.856 1234 G HN 1.821 nan 8.290 nan 0.000 0.538 1235 G N -0.149 108.658 108.800 0.011 0.000 2.536 1235 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.280 1235 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.280 1235 G C 1.338 176.225 174.900 -0.021 0.000 1.152 1235 G CA 1.445 46.537 45.100 -0.013 0.000 0.970 1235 G HN 1.884 nan 8.290 nan 0.000 0.549 1236 K N 0.050 120.434 120.400 -0.028 0.000 2.442 1236 K HA -0.069 4.250 4.320 -0.002 0.000 0.200 1236 K C 2.511 179.120 176.600 0.014 0.000 1.045 1236 K CA 2.205 58.480 56.287 -0.020 0.000 0.937 1236 K CB -0.205 32.291 32.500 -0.007 0.000 0.757 1236 K HN 0.412 nan 8.250 nan 0.000 0.474 1237 M N 0.354 119.972 119.600 0.029 0.000 2.171 1237 M HA -0.050 4.429 4.480 -0.002 0.000 0.260 1237 M C 1.737 178.062 176.300 0.043 0.000 1.087 1237 M CA 0.994 56.341 55.300 0.079 0.000 1.154 1237 M CB -0.427 32.240 32.600 0.112 0.000 1.331 1237 M HN 0.179 nan 8.290 nan 0.000 0.431 1238 L N 0.635 121.888 121.223 0.051 0.000 2.129 1238 L HA -0.243 4.096 4.340 -0.002 0.000 0.212 1238 L C 1.437 178.297 176.870 -0.018 0.000 1.087 1238 L CA 2.028 56.880 54.840 0.020 0.000 0.757 1238 L CB -1.083 41.022 42.059 0.077 0.000 0.896 1238 L HN 0.339 nan 8.230 nan 0.000 0.434 1239 D N -0.748 119.647 120.400 -0.007 0.000 2.224 1239 D HA -0.026 4.613 4.640 -0.002 0.000 0.205 1239 D C 2.170 178.470 176.300 0.001 0.000 0.965 1239 D CA 1.204 55.201 54.000 -0.004 0.000 0.852 1239 D CB 0.042 40.833 40.800 -0.016 0.000 0.947 1239 D HN 0.489 nan 8.370 nan 0.000 0.494 1240 A N 0.410 123.234 122.820 0.006 0.000 1.897 1240 A HA -0.068 4.251 4.320 -0.002 0.000 0.215 1240 A C 2.454 180.027 177.584 -0.018 0.000 1.181 1240 A CA 0.804 52.851 52.037 0.016 0.000 0.620 1240 A CB -0.602 18.434 19.000 0.060 0.000 0.821 1240 A HN 0.102 nan 8.150 nan 0.000 0.443 1241 V N 0.375 120.240 119.914 -0.082 0.000 2.237 1241 V HA -0.290 3.829 4.120 -0.002 0.000 0.245 1241 V C 2.548 178.566 176.094 -0.127 0.000 1.046 1241 V CA 2.092 64.275 62.300 -0.196 0.000 1.007 1241 V CB -0.981 30.471 31.823 -0.618 0.000 0.638 1241 V HN 0.580 nan 8.190 nan 0.000 0.445 1242 L N -0.319 120.851 121.223 -0.089 0.000 2.137 1242 L HA -0.240 4.099 4.340 -0.002 0.000 0.213 1242 L C 2.395 179.263 176.870 -0.004 0.000 1.085 1242 L CA 1.252 56.075 54.840 -0.028 0.000 0.760 1242 L CB -0.723 41.337 42.059 0.002 0.000 0.893 1242 L HN 0.224 nan 8.230 nan 0.000 0.434 1243 V N -0.451 119.462 119.914 -0.003 0.000 2.283 1243 V HA -0.235 3.883 4.120 -0.002 0.000 0.243 1243 V C 2.102 178.195 176.094 -0.001 0.000 1.039 1243 V CA 1.871 64.176 62.300 0.008 0.000 1.016 1243 V CB -0.514 31.316 31.823 0.011 0.000 0.650 1243 V HN 0.496 nan 8.190 nan 0.000 0.449 1244 N N -0.722 117.970 118.700 -0.014 0.000 2.459 1244 N HA 0.030 4.769 4.740 -0.002 0.000 0.181 1244 N C 0.911 176.401 175.510 -0.033 0.000 1.046 1244 N CA 0.340 53.383 53.050 -0.013 0.000 0.904 1244 N CB -0.077 38.407 38.487 -0.005 0.000 0.964 1244 N HN 0.375 nan 8.380 nan 0.000 0.444 1245 M N 1.120 120.692 119.600 -0.047 0.000 2.224 1245 M HA -0.073 4.406 4.480 -0.002 0.000 0.297 1245 M C 0.524 176.815 176.300 -0.015 0.000 1.047 1245 M CA 0.803 56.077 55.300 -0.043 0.000 1.125 1245 M CB 0.136 32.721 32.600 -0.025 0.000 1.413 1245 M HN 0.026 nan 8.290 nan 0.000 0.431 1246 N N 0.646 119.343 118.700 -0.006 0.000 2.518 1246 N HA 0.486 5.225 4.740 -0.002 0.000 0.284 1246 N C -0.517 175.004 175.510 0.018 0.000 1.230 1246 N CA -0.485 52.575 53.050 0.016 0.000 0.941 1246 N CB 0.934 39.441 38.487 0.034 0.000 1.219 1246 N HN 0.546 nan 8.380 nan 0.000 0.560 1247 M N 0.354 119.970 119.600 0.025 0.000 2.240 1247 M HA 0.021 4.500 4.480 -0.002 0.000 0.333 1247 M C 0.120 176.465 176.300 0.074 0.000 1.110 1247 M CA 0.499 55.793 55.300 -0.011 0.000 1.173 1247 M CB -0.232 32.374 32.600 0.010 0.000 1.458 1247 M HN 0.652 nan 8.290 nan 0.000 0.458 1248 H N -0.978 118.101 119.070 0.015 0.000 2.884 1248 H HA -0.151 4.404 4.556 -0.002 0.000 0.289 1248 H C 0.745 176.076 175.328 0.005 0.000 1.142 1248 H CA 0.526 56.578 56.048 0.007 0.000 1.158 1248 H CB -1.855 27.909 29.762 0.004 0.000 1.325 1248 H HN 0.909 nan 8.280 nan 0.000 0.366 1249 G N 0.217 109.054 108.800 0.062 0.000 2.554 1249 G HA2 0.368 4.327 3.960 -0.002 0.000 0.238 1249 G HA3 0.368 4.327 3.960 -0.002 0.000 0.238 1249 G C 0.111 175.036 174.900 0.043 0.000 1.259 1249 G CA -0.460 44.669 45.100 0.047 0.000 0.843 1249 G HN 0.316 nan 8.290 nan 0.000 0.582 1250 R N -0.351 120.175 120.500 0.044 0.000 2.795 1250 R HA 0.662 5.001 4.340 -0.002 0.000 0.275 1250 R C -0.680 175.655 176.300 0.058 0.000 0.981 1250 R CA -0.701 55.417 56.100 0.029 0.000 0.917 1250 R CB 2.388 32.683 30.300 -0.008 0.000 1.202 1250 R HN 0.415 nan 8.270 nan 0.000 0.469 1251 I N 1.065 121.660 120.570 0.042 0.000 2.534 1251 I HA 0.513 4.682 4.170 -0.002 0.000 0.288 1251 I C -0.847 175.245 176.117 -0.042 0.000 1.077 1251 I CA -0.879 60.459 61.300 0.064 0.000 1.051 1251 I CB 2.268 40.351 38.000 0.138 0.000 1.234 1251 I HN 0.665 nan 8.210 nan 0.000 0.425 1252 A N 6.420 129.140 122.820 -0.167 0.000 2.287 1252 A HA 0.720 5.039 4.320 -0.002 0.000 0.317 1252 A C -0.762 176.643 177.584 -0.298 0.000 1.220 1252 A CA -0.469 51.427 52.037 -0.235 0.000 0.835 1252 A CB 1.156 19.872 19.000 -0.475 0.000 1.180 1252 A HN 0.428 nan 8.150 nan 0.000 0.500 1253 V N 3.075 122.940 119.914 -0.080 0.000 2.294 1253 V HA 0.102 4.221 4.120 -0.002 0.000 0.272 1253 V C 0.821 176.762 176.094 -0.255 0.000 1.027 1253 V CA -0.306 61.907 62.300 -0.146 0.000 0.823 1253 V CB 0.422 32.209 31.823 -0.061 0.000 1.030 1253 V HN 1.153 nan 8.190 nan 0.000 0.457 1254 C N 3.769 122.859 119.300 -0.350 0.000 2.564 1254 C HA 0.597 5.056 4.460 -0.002 0.000 0.281 1254 C C 1.203 176.043 174.990 -0.251 0.000 1.314 1254 C CA 0.969 59.708 59.018 -0.464 0.000 1.706 1254 C CB -0.284 27.334 27.740 -0.204 0.000 2.109 1254 C HN 0.945 nan 8.230 nan 0.000 0.502 1255 G N -0.946 107.775 108.800 -0.132 0.000 2.601 1255 G HA2 0.519 4.478 3.960 -0.002 0.000 0.291 1255 G HA3 0.519 4.478 3.960 -0.002 0.000 0.291 1255 G C -0.960 173.918 174.900 -0.035 0.000 1.456 1255 G CA -0.429 44.656 45.100 -0.026 0.000 0.804 1255 G HN 0.156 nan 8.290 nan 0.000 0.499 1256 M N 1.934 121.574 119.600 0.066 0.000 3.189 1256 M HA 0.248 4.727 4.480 -0.002 0.000 0.365 1256 M C 0.270 176.502 176.300 -0.114 0.000 1.447 1256 M CA -0.256 55.065 55.300 0.034 0.000 0.739 1256 M CB 0.573 33.258 32.600 0.141 0.000 1.411 1256 M HN 0.539 nan 8.290 nan 0.000 0.494 1257 I N -1.227 119.031 120.570 -0.520 0.000 2.691 1257 I HA 0.171 4.340 4.170 -0.002 0.000 0.288 1257 I C 0.118 176.123 176.117 -0.187 0.000 1.143 1257 I CA 0.477 61.452 61.300 -0.543 0.000 1.364 1257 I CB -0.185 37.539 38.000 -0.461 0.000 1.435 1257 I HN 0.383 nan 8.210 nan 0.000 0.551 1258 S N 2.381 118.029 115.700 -0.088 0.000 4.419 1258 S HA -0.087 4.382 4.470 -0.002 0.000 0.161 1258 S C 1.227 175.817 174.600 -0.018 0.000 1.008 1258 S CA -0.386 57.790 58.200 -0.040 0.000 1.336 1258 S CB -0.342 62.843 63.200 -0.024 0.000 1.536 1258 S HN 0.587 nan 8.310 nan 0.000 0.429 1259 Q N 0.960 120.793 119.800 0.054 0.000 2.167 1259 Q HA 0.213 4.552 4.340 -0.002 0.000 0.202 1259 Q C 1.408 177.444 176.000 0.059 0.000 0.970 1259 Q CA 1.489 57.329 55.803 0.063 0.000 0.855 1259 Q CB -0.543 28.248 28.738 0.088 0.000 0.911 1259 Q HN 0.639 nan 8.270 nan 0.000 0.438 1260 Y N 0.506 120.708 120.300 -0.163 0.000 2.165 1260 Y HA -0.194 4.355 4.550 -0.002 0.000 0.286 1260 Y C 0.951 176.662 175.900 -0.314 0.000 1.155 1260 Y CA 1.480 59.457 58.100 -0.206 0.000 1.164 1260 Y CB -0.499 37.851 38.460 -0.183 0.000 0.978 1260 Y HN 0.277 nan 8.280 nan 0.000 0.513 1261 N N -0.298 118.220 118.700 -0.303 0.000 2.320 1261 N HA 0.224 4.963 4.740 -0.002 0.000 0.237 1261 N C -0.931 174.391 175.510 -0.314 0.000 1.129 1261 N CA 0.065 52.791 53.050 -0.539 0.000 0.854 1261 N CB 0.074 37.730 38.487 -1.385 0.000 1.083 1261 N HN 0.126 nan 8.380 nan 0.000 0.504 1262 L N 0.143 121.268 121.223 -0.163 0.000 2.329 1262 L HA 0.349 4.688 4.340 -0.002 0.000 0.279 1262 L C 1.231 178.061 176.870 -0.066 0.000 1.014 1262 L CA -0.564 54.235 54.840 -0.069 0.000 0.814 1262 L CB 2.153 44.192 42.059 -0.035 0.000 1.257 1262 L HN 0.025 nan 8.230 nan 0.000 0.424 1263 E N 2.477 122.657 120.200 -0.034 0.000 2.170 1263 E HA -0.053 4.296 4.350 -0.002 0.000 0.191 1263 E C 0.046 176.628 176.600 -0.030 0.000 0.981 1263 E CA 0.785 57.164 56.400 -0.034 0.000 0.830 1263 E CB 0.339 30.031 29.700 -0.013 0.000 0.775 1263 E HN 0.683 nan 8.360 nan 0.000 0.470 1264 N N 1.274 119.965 118.700 -0.016 0.000 2.804 1264 N HA 0.142 4.881 4.740 -0.002 0.000 0.251 1264 N C -0.955 174.552 175.510 -0.006 0.000 1.250 1264 N CA -0.478 52.567 53.050 -0.008 0.000 0.820 1264 N CB 0.881 39.370 38.487 0.004 0.000 1.156 1264 N HN -0.059 nan 8.380 nan 0.000 0.512 1265 Q N 1.413 121.202 119.800 -0.017 0.000 2.398 1265 Q HA -0.071 4.268 4.340 -0.002 0.000 0.329 1265 Q C 0.073 176.071 176.000 -0.004 0.000 1.079 1265 Q CA 1.020 56.814 55.803 -0.015 0.000 1.041 1265 Q CB 1.052 29.775 28.738 -0.026 0.000 1.084 1265 Q HN 0.542 nan 8.270 nan 0.000 0.386 1266 E N 0.629 120.827 120.200 -0.003 0.000 2.418 1266 E HA 0.109 4.458 4.350 -0.002 0.000 0.261 1266 E C 0.209 176.799 176.600 -0.016 0.000 1.070 1266 E CA -0.117 56.278 56.400 -0.008 0.000 0.931 1266 E CB 0.528 30.218 29.700 -0.017 0.000 0.954 1266 E HN 0.619 nan 8.360 nan 0.000 0.439 1267 G N 1.130 109.913 108.800 -0.027 0.000 2.327 1267 G HA2 0.313 4.272 3.960 -0.002 0.000 0.302 1267 G HA3 0.313 4.272 3.960 -0.002 0.000 0.302 1267 G C -0.281 174.537 174.900 -0.136 0.000 1.113 1267 G CA -0.559 44.532 45.100 -0.013 0.000 0.921 1267 G HN 0.284 nan 8.290 nan 0.000 0.425 1268 V N 5.003 124.892 119.914 -0.042 0.000 2.313 1268 V HA 0.075 4.194 4.120 -0.002 0.000 0.252 1268 V C 1.032 177.165 176.094 0.064 0.000 1.112 1268 V CA -0.564 61.711 62.300 -0.041 0.000 0.984 1268 V CB -0.493 31.331 31.823 0.002 0.000 1.157 1268 V HN 0.723 nan 8.190 nan 0.000 0.493 1269 H N 2.820 121.901 119.070 0.019 0.000 2.267 1269 H HA -0.068 4.487 4.556 -0.002 0.000 0.302 1269 H C 1.831 177.172 175.328 0.022 0.000 1.056 1269 H CA 1.815 57.875 56.048 0.019 0.000 1.269 1269 H CB -0.426 29.349 29.762 0.021 0.000 1.385 1269 H HN 0.532 nan 8.280 nan 0.000 0.501 1270 N N 1.385 120.190 118.700 0.175 0.000 2.657 1270 N HA -0.170 4.569 4.740 -0.002 0.000 0.201 1270 N C 1.698 177.255 175.510 0.077 0.000 1.103 1270 N CA 0.220 53.334 53.050 0.107 0.000 0.942 1270 N CB -0.305 38.230 38.487 0.079 0.000 0.958 1270 N HN 0.253 nan 8.380 nan 0.000 0.452 1271 L N 1.229 122.490 121.223 0.063 0.000 2.450 1271 L HA -0.175 4.164 4.340 -0.002 0.000 0.224 1271 L C 2.429 179.305 176.870 0.010 0.000 1.149 1271 L CA 0.772 55.632 54.840 0.032 0.000 0.816 1271 L CB -0.239 41.835 42.059 0.025 0.000 0.932 1271 L HN 0.229 nan 8.230 nan 0.000 0.449 1272 S N -1.312 114.405 115.700 0.028 0.000 2.383 1272 S HA -0.215 4.254 4.470 -0.002 0.000 0.227 1272 S C 1.595 176.159 174.600 -0.060 0.000 1.026 1272 S CA 1.381 59.571 58.200 -0.016 0.000 0.981 1272 S CB -0.915 62.321 63.200 0.060 0.000 0.818 1272 S HN 0.608 nan 8.310 nan 0.000 0.472 1273 N N 2.423 121.198 118.700 0.125 0.000 2.133 1273 N HA -0.157 4.582 4.740 -0.002 0.000 0.193 1273 N C 1.870 177.422 175.510 0.070 0.000 1.012 1273 N CA 1.670 54.878 53.050 0.263 0.000 0.871 1273 N CB -0.842 37.754 38.487 0.182 0.000 1.011 1273 N HN 0.768 nan 8.380 nan 0.000 0.435 1274 I N -0.045 120.504 120.570 -0.034 0.000 2.850 1274 I HA -0.125 4.043 4.170 -0.002 0.000 0.266 1274 I C 1.856 177.881 176.117 -0.153 0.000 1.257 1274 I CA 1.029 62.288 61.300 -0.068 0.000 1.465 1274 I CB -0.491 37.479 38.000 -0.050 0.000 1.091 1274 I HN 0.162 nan 8.210 nan 0.000 0.467 1275 I N -2.039 118.334 120.570 -0.328 0.000 2.876 1275 I HA -0.030 4.139 4.170 -0.002 0.000 0.264 1275 I C 1.995 177.897 176.117 -0.358 0.000 1.204 1275 I CA 0.659 61.728 61.300 -0.385 0.000 1.485 1275 I CB -0.669 37.014 38.000 -0.529 0.000 1.103 1275 I HN 0.078 nan 8.210 nan 0.000 0.446 1276 Y N 2.912 123.188 120.300 -0.040 0.000 2.159 1276 Y HA 0.077 4.626 4.550 -0.002 0.000 0.285 1276 Y C 1.492 177.350 175.900 -0.070 0.000 1.106 1276 Y CA 0.521 58.595 58.100 -0.043 0.000 1.095 1276 Y CB -0.154 38.287 38.460 -0.032 0.000 1.015 1276 Y HN 0.046 nan 8.280 nan 0.000 0.491 1277 K N 1.791 122.246 120.400 0.093 0.000 2.765 1277 K HA 0.241 4.560 4.320 -0.002 0.000 0.246 1277 K C -0.173 176.342 176.600 -0.142 0.000 1.254 1277 K CA -0.448 55.819 56.287 -0.033 0.000 1.219 1277 K CB 0.030 32.540 32.500 0.016 0.000 1.747 1277 K HN 0.080 nan 8.250 nan 0.000 0.372 1278 R N 2.195 122.567 120.500 -0.214 0.000 1.379 1278 R HA -0.193 4.146 4.340 -0.002 0.000 0.158 1278 R C -0.679 175.537 176.300 -0.141 0.000 0.371 1278 R CA 0.274 56.245 56.100 -0.216 0.000 0.294 1278 R CB -0.850 29.260 30.300 -0.317 0.000 1.725 1278 R HN 0.565 nan 8.270 nan 0.000 0.582 1279 N N 1.252 119.905 118.700 -0.078 0.000 2.508 1279 N HA 0.033 4.772 4.740 -0.002 0.000 0.264 1279 N C -0.220 175.281 175.510 -0.014 0.000 1.216 1279 N CA 0.170 53.203 53.050 -0.028 0.000 0.943 1279 N CB 1.015 39.494 38.487 -0.014 0.000 1.113 1279 N HN 0.376 nan 8.380 nan 0.000 0.447 1280 R N 2.682 123.184 120.500 0.004 0.000 2.409 1280 R HA 0.419 4.758 4.340 -0.002 0.000 0.313 1280 R C -0.799 175.507 176.300 0.009 0.000 0.953 1280 R CA -0.489 55.613 56.100 0.003 0.000 0.849 1280 R CB 0.525 30.827 30.300 0.004 0.000 1.171 1280 R HN 0.514 nan 8.270 nan 0.000 0.458 1281 I N 3.516 124.091 120.570 0.008 0.000 2.353 1281 I HA 0.266 4.435 4.170 -0.002 0.000 0.293 1281 I C -0.055 176.068 176.117 0.010 0.000 0.992 1281 I CA -0.402 60.908 61.300 0.016 0.000 1.268 1281 I CB 1.659 39.669 38.000 0.018 0.000 1.387 1281 I HN 0.485 nan 8.210 nan 0.000 0.478 1282 Q N 4.105 123.914 119.800 0.016 0.000 2.271 1282 Q HA 0.422 4.761 4.340 -0.002 0.000 0.268 1282 Q C -0.788 175.262 176.000 0.083 0.000 1.021 1282 Q CA -0.562 55.262 55.803 0.035 0.000 0.802 1282 Q CB 2.624 31.378 28.738 0.026 0.000 1.282 1282 Q HN 0.861 nan 8.270 nan 0.000 0.431 1283 G N 3.040 111.885 108.800 0.075 0.000 2.335 1283 G HA2 0.608 4.567 3.960 -0.002 0.000 0.316 1283 G HA3 0.608 4.567 3.960 -0.002 0.000 0.316 1283 G C -0.708 174.278 174.900 0.143 0.000 1.129 1283 G CA -0.288 44.850 45.100 0.063 0.000 0.899 1283 G HN 0.475 nan 8.290 nan 0.000 0.448 1284 F N 0.848 120.779 119.950 -0.032 0.000 2.654 1284 F HA 0.849 5.375 4.527 -0.002 0.000 0.334 1284 F C -1.029 174.796 175.800 0.043 0.000 1.078 1284 F CA -1.628 56.392 58.000 0.035 0.000 0.986 1284 F CB 2.094 41.186 39.000 0.152 0.000 1.362 1284 F HN 0.297 nan 8.300 nan 0.000 0.498 1285 V N 2.242 122.190 119.914 0.058 0.000 2.509 1285 V HA 0.121 4.240 4.120 -0.002 0.000 0.289 1285 V C 0.583 176.798 176.094 0.201 0.000 1.026 1285 V CA -0.572 61.693 62.300 -0.059 0.000 0.872 1285 V CB 1.239 33.019 31.823 -0.071 0.000 1.017 1285 V HN 0.990 nan 8.190 nan 0.000 0.436 1286 V N 4.323 124.343 119.914 0.177 0.000 2.418 1286 V HA -0.272 3.847 4.120 -0.002 0.000 0.258 1286 V C 2.434 178.435 176.094 -0.157 0.000 1.088 1286 V CA 3.133 65.530 62.300 0.163 0.000 1.091 1286 V CB 0.058 31.900 31.823 0.031 0.000 0.669 1286 V HN 1.031 nan 8.190 nan 0.000 0.461 1287 S N -0.829 114.745 115.700 -0.211 0.000 2.400 1287 S HA -0.225 4.244 4.470 -0.002 0.000 0.232 1287 S C 1.640 176.077 174.600 -0.273 0.000 1.025 1287 S CA 1.844 59.845 58.200 -0.331 0.000 0.993 1287 S CB -0.545 62.635 63.200 -0.033 0.000 0.808 1287 S HN 0.814 nan 8.310 nan 0.000 0.478 1288 D N 0.483 120.795 120.400 -0.147 0.000 2.149 1288 D HA -0.020 4.619 4.640 -0.002 0.000 0.201 1288 D C 0.784 176.968 176.300 -0.194 0.000 0.972 1288 D CA 0.886 54.743 54.000 -0.238 0.000 0.835 1288 D CB -0.316 40.241 40.800 -0.405 0.000 0.966 1288 D HN 0.559 nan 8.370 nan 0.000 0.476 1289 F N -0.359 119.519 119.950 -0.121 0.000 2.663 1289 F HA 0.156 4.682 4.527 -0.002 0.000 0.299 1289 F C 0.863 176.741 175.800 0.131 0.000 1.143 1289 F CA -0.431 57.573 58.000 0.006 0.000 1.387 1289 F CB -1.177 37.839 39.000 0.026 0.000 1.019 1289 F HN -0.022 nan 8.300 nan 0.000 0.523 1290 Y N 0.795 121.385 120.300 0.484 0.000 2.487 1290 Y HA -0.035 4.514 4.550 -0.002 0.000 0.339 1290 Y C 0.664 176.832 175.900 0.448 0.000 1.191 1290 Y CA -0.530 57.842 58.100 0.453 0.000 1.279 1290 Y CB -0.777 37.989 38.460 0.509 0.000 1.122 1290 Y HN 0.253 nan 8.280 nan 0.000 0.500 1291 D N -0.551 120.180 120.400 0.552 0.000 2.259 1291 D HA -0.058 4.581 4.640 -0.002 0.000 0.216 1291 D C 0.865 177.392 176.300 0.379 0.000 0.961 1291 D CA 0.504 54.752 54.000 0.412 0.000 0.878 1291 D CB -0.108 40.892 40.800 0.333 0.000 1.009 1291 D HN 0.066 nan 8.370 nan 0.000 0.490 1292 K N -0.228 120.415 120.400 0.405 0.000 2.790 1292 K HA 0.040 4.359 4.320 -0.002 0.000 0.229 1292 K C 0.078 176.945 176.600 0.444 0.000 1.040 1292 K CA -0.106 56.416 56.287 0.392 0.000 1.211 1292 K CB -0.019 32.722 32.500 0.402 0.000 1.002 1292 K HN 0.208 nan 8.250 nan 0.000 0.479 1293 Y N -0.130 120.351 120.300 0.303 0.000 2.396 1293 Y HA 0.001 4.550 4.550 -0.002 0.000 0.292 1293 Y C 1.943 177.997 175.900 0.257 0.000 1.128 1293 Y CA 0.733 58.998 58.100 0.276 0.000 1.194 1293 Y CB 0.133 38.678 38.460 0.143 0.000 1.124 1293 Y HN -0.010 nan 8.280 nan 0.000 0.543 1294 S N 0.877 116.605 115.700 0.046 0.000 2.356 1294 S HA -0.210 4.259 4.470 -0.002 0.000 0.223 1294 S C 2.030 176.594 174.600 -0.060 0.000 1.032 1294 S CA 1.646 59.806 58.200 -0.066 0.000 1.005 1294 S CB -0.392 62.847 63.200 0.065 0.000 0.867 1294 S HN 0.432 nan 8.310 nan 0.000 0.449 1295 K N 0.523 120.962 120.400 0.064 0.000 2.103 1295 K HA -0.167 4.152 4.320 -0.002 0.000 0.207 1295 K C 1.986 178.610 176.600 0.040 0.000 1.048 1295 K CA 1.424 57.765 56.287 0.089 0.000 0.930 1295 K CB -0.305 32.304 32.500 0.182 0.000 0.716 1295 K HN 0.396 nan 8.250 nan 0.000 0.444 1296 F N 1.724 121.560 119.950 -0.190 0.000 2.134 1296 F HA -0.153 4.373 4.527 -0.002 0.000 0.299 1296 F C 1.677 177.296 175.800 -0.302 0.000 1.097 1296 F CA 1.140 58.856 58.000 -0.475 0.000 1.264 1296 F CB -0.270 38.428 39.000 -0.504 0.000 1.001 1296 F HN -0.044 nan 8.300 nan 0.000 0.479 1297 L N 0.422 121.219 121.223 -0.710 0.000 1.976 1297 L HA -0.241 4.098 4.340 -0.002 0.000 0.209 1297 L C 2.610 179.159 176.870 -0.534 0.000 1.071 1297 L CA 2.071 56.437 54.840 -0.790 0.000 0.746 1297 L CB -0.998 40.694 42.059 -0.611 0.000 0.890 1297 L HN 0.244 nan 8.230 nan 0.000 0.432 1298 E N -0.250 119.761 120.200 -0.316 0.000 2.197 1298 E HA -0.326 4.023 4.350 -0.002 0.000 0.205 1298 E C 2.006 178.548 176.600 -0.097 0.000 1.029 1298 E CA 2.149 58.457 56.400 -0.154 0.000 0.828 1298 E CB -0.132 29.534 29.700 -0.058 0.000 0.737 1298 E HN 0.436 nan 8.360 nan 0.000 0.464 1299 F N -0.213 119.578 119.950 -0.265 0.000 2.123 1299 F HA -0.037 4.489 4.527 -0.001 0.000 0.289 1299 F C 2.059 177.742 175.800 -0.195 0.000 1.099 1299 F CA 1.177 59.071 58.000 -0.177 0.000 1.234 1299 F CB -0.704 38.192 39.000 -0.174 0.000 1.034 1299 F HN -0.090 nan 8.300 nan 0.000 0.479 1300 V N 0.322 119.691 119.914 -0.910 0.000 2.379 1300 V HA -0.157 3.962 4.120 -0.002 0.000 0.245 1300 V C 2.312 178.057 176.094 -0.580 0.000 1.044 1300 V CA 1.557 63.268 62.300 -0.983 0.000 1.036 1300 V CB -0.418 30.810 31.823 -0.992 0.000 0.664 1300 V HN 0.403 nan 8.190 nan 0.000 0.453 1301 L N 0.516 121.427 121.223 -0.520 0.000 2.012 1301 L HA -0.035 4.304 4.340 -0.002 0.000 0.210 1301 L C -0.007 176.710 176.870 -0.254 0.000 1.073 1301 L CA 2.480 57.099 54.840 -0.368 0.000 0.748 1301 L CB -2.003 39.808 42.059 -0.413 0.000 0.891 1301 L HN 0.266 nan 8.230 nan 0.000 0.431 1302 P HA -0.182 nan 4.420 nan 0.000 0.214 1302 P C 1.266 178.422 177.300 -0.240 0.000 1.163 1302 P CA 1.624 64.608 63.100 -0.192 0.000 0.889 1302 P CB -0.065 31.542 31.700 -0.156 0.000 0.790 1303 H N -1.630 117.232 119.070 -0.346 0.000 2.421 1303 H HA -0.054 4.501 4.556 -0.002 0.000 0.298 1303 H C 1.874 177.069 175.328 -0.222 0.000 1.087 1303 H CA 1.071 56.938 56.048 -0.301 0.000 1.330 1303 H CB -0.970 28.515 29.762 -0.463 0.000 1.388 1303 H HN 0.154 nan 8.280 nan 0.000 0.526 1304 I N 0.149 120.640 120.570 -0.130 0.000 2.162 1304 I HA -0.186 3.983 4.170 -0.002 0.000 0.238 1304 I C 1.926 178.000 176.117 -0.071 0.000 1.076 1304 I CA 1.020 62.268 61.300 -0.088 0.000 1.353 1304 I CB -0.265 37.677 38.000 -0.097 0.000 1.063 1304 I HN 0.065 nan 8.210 nan 0.000 0.408 1305 R N 0.975 121.416 120.500 -0.098 0.000 2.417 1305 R HA -0.154 4.185 4.340 -0.002 0.000 0.220 1305 R C 0.918 177.167 176.300 -0.084 0.000 1.128 1305 R CA 0.884 56.932 56.100 -0.086 0.000 1.048 1305 R CB -0.349 29.895 30.300 -0.094 0.000 0.835 1305 R HN 0.570 nan 8.270 nan 0.000 0.483 1306 E N -1.726 118.417 120.200 -0.094 0.000 2.641 1306 E HA 0.134 4.483 4.350 -0.002 0.000 0.224 1306 E C 0.668 177.227 176.600 -0.069 0.000 0.951 1306 E CA 0.321 56.665 56.400 -0.094 0.000 1.102 1306 E CB 1.573 31.188 29.700 -0.142 0.000 1.091 1306 E HN 0.373 nan 8.360 nan 0.000 0.507 1307 G N 2.019 110.790 108.800 -0.049 0.000 2.176 1307 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.232 1307 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.232 1307 G C 1.067 175.958 174.900 -0.015 0.000 0.986 1307 G CA 0.267 45.350 45.100 -0.028 0.000 0.643 1307 G HN -0.016 nan 8.290 nan 0.000 0.522 1308 K N -0.353 120.038 120.400 -0.015 0.000 2.243 1308 K HA 0.292 4.611 4.320 -0.002 0.000 0.201 1308 K C 0.932 177.558 176.600 0.043 0.000 1.051 1308 K CA 0.611 56.915 56.287 0.028 0.000 0.970 1308 K CB 0.424 32.964 32.500 0.068 0.000 0.755 1308 K HN 0.438 nan 8.250 nan 0.000 0.465 1309 I N 2.558 123.141 120.570 0.023 0.000 2.411 1309 I HA 0.099 4.268 4.170 -0.002 0.000 0.284 1309 I C 0.050 176.209 176.117 0.071 0.000 1.012 1309 I CA -0.668 60.650 61.300 0.029 0.000 1.119 1309 I CB 1.192 39.169 38.000 -0.038 0.000 1.261 1309 I HN -0.055 nan 8.210 nan 0.000 0.448 1310 T N 3.416 118.052 114.554 0.137 0.000 2.902 1310 T HA 0.653 5.002 4.350 -0.002 0.000 0.283 1310 T C -0.905 174.041 174.700 0.410 0.000 1.009 1310 T CA -0.675 61.524 62.100 0.164 0.000 1.051 1310 T CB 2.101 70.968 68.868 -0.001 0.000 0.999 1310 T HN 0.431 nan 8.240 nan 0.000 0.474 1311 Y N 2.756 123.161 120.300 0.175 0.000 2.287 1311 Y HA 0.457 5.006 4.550 -0.002 0.000 0.325 1311 Y C -0.786 175.186 175.900 0.120 0.000 1.139 1311 Y CA -1.315 56.897 58.100 0.187 0.000 1.167 1311 Y CB 0.850 39.235 38.460 -0.126 0.000 1.158 1311 Y HN 0.884 nan 8.280 nan 0.000 0.434 1312 V N 2.194 122.120 119.914 0.020 0.000 2.904 1312 V HA 0.695 4.814 4.120 -0.002 0.000 0.305 1312 V C -0.290 175.477 176.094 -0.545 0.000 1.067 1312 V CA -0.294 61.894 62.300 -0.186 0.000 1.044 1312 V CB 1.681 33.495 31.823 -0.014 0.000 1.050 1312 V HN 0.839 nan 8.190 nan 0.000 0.475 1313 E N 0.777 120.766 120.200 -0.352 0.000 2.428 1313 E HA 0.499 4.848 4.350 -0.002 0.000 0.259 1313 E C -1.458 175.065 176.600 -0.128 0.000 0.930 1313 E CA -0.757 55.458 56.400 -0.310 0.000 0.823 1313 E CB 1.977 31.559 29.700 -0.197 0.000 1.403 1313 E HN 0.844 nan 8.360 nan 0.000 0.415 1314 D N 1.234 121.589 120.400 -0.075 0.000 2.336 1314 D HA 0.260 4.899 4.640 -0.002 0.000 0.248 1314 D C -1.348 174.954 176.300 0.003 0.000 1.326 1314 D CA -0.198 53.784 54.000 -0.030 0.000 0.973 1314 D CB 1.337 42.119 40.800 -0.029 0.000 1.255 1314 D HN 0.109 nan 8.370 nan 0.000 0.558 1315 V N 1.270 121.196 119.914 0.020 0.000 2.837 1315 V HA 0.947 5.066 4.120 -0.002 0.000 0.310 1315 V C 0.353 176.460 176.094 0.021 0.000 1.059 1315 V CA -0.586 61.742 62.300 0.047 0.000 1.004 1315 V CB 1.562 33.432 31.823 0.079 0.000 1.045 1315 V HN 0.722 nan 8.190 nan 0.000 0.465 1316 A N 1.448 124.276 122.820 0.013 0.000 2.577 1316 A HA 0.520 4.839 4.320 -0.002 0.000 0.297 1316 A C -1.268 176.289 177.584 -0.045 0.000 1.060 1316 A CA -0.591 51.436 52.037 -0.017 0.000 0.697 1316 A CB 1.463 20.448 19.000 -0.024 0.000 1.281 1316 A HN 0.750 nan 8.150 nan 0.000 0.402 1317 D N 1.196 121.560 120.400 -0.060 0.000 2.225 1317 D HA 0.497 5.136 4.640 -0.002 0.000 0.248 1317 D C 0.848 177.073 176.300 -0.124 0.000 1.096 1317 D CA 1.701 55.645 54.000 -0.094 0.000 0.863 1317 D CB 1.460 42.211 40.800 -0.082 0.000 1.156 1317 D HN 1.577 nan 8.370 nan 0.000 0.450 1318 G N 2.384 111.085 108.800 -0.164 0.000 2.901 1318 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.654 1318 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.654 1318 G C 1.240 175.997 174.900 -0.239 0.000 1.550 1318 G CA -0.113 44.865 45.100 -0.203 0.000 0.978 1318 G HN 0.583 nan 8.290 nan 0.000 0.566 1319 L N 0.181 121.232 121.223 -0.287 0.000 2.089 1319 L HA -0.169 4.170 4.340 -0.002 0.000 0.213 1319 L C 2.815 179.532 176.870 -0.254 0.000 1.079 1319 L CA 2.419 57.064 54.840 -0.326 0.000 0.758 1319 L CB -0.522 41.352 42.059 -0.308 0.000 0.891 1319 L HN 0.741 nan 8.230 nan 0.000 0.433 1320 E N 0.191 120.187 120.200 -0.340 0.000 2.187 1320 E HA -0.217 4.131 4.350 -0.002 0.000 0.199 1320 E C 2.060 178.698 176.600 0.064 0.000 1.004 1320 E CA 1.136 57.403 56.400 -0.221 0.000 0.813 1320 E CB -0.125 29.436 29.700 -0.231 0.000 0.736 1320 E HN 0.358 nan 8.360 nan 0.000 0.468 1321 K N -0.437 119.937 120.400 -0.043 0.000 2.262 1321 K HA 0.222 4.541 4.320 -0.002 0.000 0.200 1321 K C 2.031 178.598 176.600 -0.055 0.000 1.049 1321 K CA 0.798 57.069 56.287 -0.027 0.000 0.979 1321 K CB 0.035 32.500 32.500 -0.058 0.000 0.773 1321 K HN 0.138 nan 8.250 nan 0.000 0.474 1322 A N 2.459 125.181 122.820 -0.163 0.000 1.940 1322 A HA -0.088 4.231 4.320 -0.002 0.000 0.219 1322 A C -0.680 176.840 177.584 -0.106 0.000 1.176 1322 A CA 1.070 52.919 52.037 -0.314 0.000 0.631 1322 A CB -1.322 17.129 19.000 -0.914 0.000 0.814 1322 A HN 0.114 nan 8.150 nan 0.000 0.446 1323 P HA -0.255 nan 4.420 nan 0.000 0.209 1323 P C 1.512 178.775 177.300 -0.061 0.000 1.167 1323 P CA 1.764 64.692 63.100 -0.286 0.000 0.941 1323 P CB -0.120 31.454 31.700 -0.209 0.000 0.787 1324 E N -0.912 119.304 120.200 0.027 0.000 2.219 1324 E HA -0.237 4.112 4.350 -0.002 0.000 0.198 1324 E C 1.736 178.374 176.600 0.063 0.000 0.998 1324 E CA 1.187 57.629 56.400 0.069 0.000 0.818 1324 E CB -0.390 29.345 29.700 0.058 0.000 0.741 1324 E HN 0.096 nan 8.360 nan 0.000 0.477 1325 A N 1.236 124.076 122.820 0.034 0.000 1.840 1325 A HA -0.127 4.192 4.320 -0.002 0.000 0.214 1325 A C 2.110 179.727 177.584 0.055 0.000 1.198 1325 A CA 0.902 52.958 52.037 0.031 0.000 0.608 1325 A CB -0.699 18.303 19.000 0.003 0.000 0.839 1325 A HN 0.368 nan 8.150 nan 0.000 0.443 1326 L N 0.504 121.800 121.223 0.122 0.000 2.042 1326 L HA -0.113 4.226 4.340 -0.002 0.000 0.210 1326 L C 2.406 179.342 176.870 0.109 0.000 1.076 1326 L CA 2.020 56.954 54.840 0.157 0.000 0.749 1326 L CB -1.063 41.172 42.059 0.293 0.000 0.893 1326 L HN 0.211 nan 8.230 nan 0.000 0.432 1327 V N -0.020 120.044 119.914 0.250 0.000 2.515 1327 V HA -0.126 3.993 4.120 -0.002 0.000 0.250 1327 V C 2.678 178.958 176.094 0.311 0.000 1.058 1327 V CA 1.307 63.877 62.300 0.450 0.000 1.064 1327 V CB -1.297 30.799 31.823 0.456 0.000 0.675 1327 V HN 0.594 nan 8.190 nan 0.000 0.461 1328 G N 0.078 108.961 108.800 0.138 0.000 2.462 1328 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.220 1328 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.220 1328 G C 1.534 176.420 174.900 -0.024 0.000 1.121 1328 G CA 0.746 45.907 45.100 0.102 0.000 0.758 1328 G HN 0.493 nan 8.290 nan 0.000 0.559 1329 L N -0.649 120.386 121.223 -0.313 0.000 2.042 1329 L HA -0.038 4.301 4.340 -0.002 0.000 0.210 1329 L C 2.578 179.262 176.870 -0.310 0.000 1.076 1329 L CA 1.006 55.600 54.840 -0.410 0.000 0.749 1329 L CB -0.515 41.144 42.059 -0.666 0.000 0.893 1329 L HN 0.229 nan 8.230 nan 0.000 0.432 1330 F N -1.627 118.375 119.950 0.088 0.000 2.407 1330 F HA -0.119 4.407 4.527 -0.001 0.000 0.299 1330 F C 2.286 178.031 175.800 -0.092 0.000 1.097 1330 F CA 0.579 58.574 58.000 -0.009 0.000 1.422 1330 F CB -0.271 38.737 39.000 0.012 0.000 1.067 1330 F HN 0.181 nan 8.300 nan 0.000 0.539 1331 H N -0.788 118.474 119.070 0.319 0.000 2.705 1331 H HA 0.289 4.844 4.556 -0.002 0.000 0.269 1331 H C 1.666 177.070 175.328 0.126 0.000 0.998 1331 H CA 0.801 56.980 56.048 0.218 0.000 1.193 1331 H CB 0.653 30.508 29.762 0.155 0.000 1.485 1331 H HN 0.227 nan 8.280 nan 0.000 0.521 1332 G N 2.005 110.896 108.800 0.151 0.000 2.248 1332 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.252 1332 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.252 1332 G C 0.144 175.081 174.900 0.062 0.000 1.085 1332 G CA 0.124 45.274 45.100 0.083 0.000 0.845 1332 G HN 0.336 nan 8.290 nan 0.000 0.494 1333 K N 0.508 120.943 120.400 0.059 0.000 2.499 1333 K HA 0.470 4.789 4.320 -0.002 0.000 0.215 1333 K C -0.074 176.532 176.600 0.010 0.000 1.041 1333 K CA -0.280 56.030 56.287 0.037 0.000 1.031 1333 K CB -0.181 32.350 32.500 0.051 0.000 1.479 1333 K HN 0.654 nan 8.250 nan 0.000 0.518 1334 N N -0.731 117.967 118.700 -0.003 0.000 3.063 1334 N HA 0.034 4.773 4.740 -0.002 0.000 0.242 1334 N C -1.204 174.293 175.510 -0.021 0.000 1.146 1334 N CA -0.837 52.202 53.050 -0.019 0.000 0.974 1334 N CB 1.304 39.770 38.487 -0.034 0.000 1.584 1334 N HN -0.095 nan 8.380 nan 0.000 0.636 1335 V N 1.443 121.344 119.914 -0.022 0.000 2.838 1335 V HA 0.829 4.948 4.120 -0.002 0.000 0.356 1335 V C 1.143 177.221 176.094 -0.025 0.000 1.302 1335 V CA 0.542 62.831 62.300 -0.017 0.000 1.495 1335 V CB -0.928 30.891 31.823 -0.008 0.000 1.505 1335 V HN 1.123 nan 8.190 nan 0.000 0.574 1336 G N 1.279 110.047 108.800 -0.053 0.000 2.334 1336 G HA2 0.113 4.072 3.960 -0.002 0.000 0.249 1336 G HA3 0.113 4.072 3.960 -0.002 0.000 0.249 1336 G C -0.822 174.013 174.900 -0.108 0.000 1.327 1336 G CA -0.866 44.175 45.100 -0.098 0.000 0.979 1336 G HN 0.326 nan 8.290 nan 0.000 0.471 1337 K N 0.762 121.061 120.400 -0.168 0.000 2.402 1337 K HA 0.453 4.772 4.320 -0.002 0.000 0.285 1337 K C 0.236 176.808 176.600 -0.046 0.000 1.054 1337 K CA 0.129 56.366 56.287 -0.082 0.000 1.001 1337 K CB 0.908 33.370 32.500 -0.065 0.000 0.946 1337 K HN 0.609 nan 8.250 nan 0.000 0.473 1338 Q N 3.843 123.641 119.800 -0.003 0.000 2.323 1338 Q HA 0.249 4.588 4.340 -0.002 0.000 0.257 1338 Q C -1.297 174.740 176.000 0.061 0.000 1.022 1338 Q CA -0.342 55.470 55.803 0.015 0.000 0.919 1338 Q CB 0.637 29.380 28.738 0.007 0.000 1.220 1338 Q HN 0.428 nan 8.270 nan 0.000 0.427 1339 V N 4.002 123.956 119.914 0.068 0.000 2.769 1339 V HA 0.632 4.751 4.120 -0.002 0.000 0.312 1339 V C -0.495 175.649 176.094 0.084 0.000 1.058 1339 V CA -0.981 61.390 62.300 0.118 0.000 0.952 1339 V CB 2.108 34.036 31.823 0.174 0.000 1.019 1339 V HN 0.530 nan 8.190 nan 0.000 0.445 1340 V N 3.365 123.321 119.914 0.070 0.000 2.483 1340 V HA 0.349 4.468 4.120 -0.002 0.000 0.297 1340 V C -0.374 175.695 176.094 -0.042 0.000 1.027 1340 V CA -0.565 61.713 62.300 -0.036 0.000 0.855 1340 V CB 2.243 33.963 31.823 -0.173 0.000 0.995 1340 V HN 0.684 nan 8.190 nan 0.000 0.424 1341 V N 6.138 125.996 119.914 -0.093 0.000 2.372 1341 V HA 0.166 4.285 4.120 -0.002 0.000 0.261 1341 V C 1.118 177.046 176.094 -0.278 0.000 1.055 1341 V CA -0.120 62.021 62.300 -0.264 0.000 0.930 1341 V CB 0.768 32.429 31.823 -0.270 0.000 1.031 1341 V HN 0.668 nan 8.190 nan 0.000 0.479 1342 V N 3.455 123.189 119.914 -0.300 0.000 2.358 1342 V HA 0.033 4.152 4.120 -0.002 0.000 0.246 1342 V C 1.222 177.176 176.094 -0.234 0.000 1.047 1342 V CA 2.009 64.157 62.300 -0.253 0.000 1.035 1342 V CB -0.156 31.531 31.823 -0.227 0.000 0.658 1342 V HN 1.030 nan 8.190 nan 0.000 0.452 1343 A N -0.330 122.318 122.820 -0.285 0.000 2.497 1343 A HA 0.577 4.896 4.320 -0.002 0.000 0.280 1343 A C -0.290 177.110 177.584 -0.306 0.000 1.065 1343 A CA -0.591 51.302 52.037 -0.239 0.000 0.781 1343 A CB 0.865 19.743 19.000 -0.203 0.000 1.289 1343 A HN 0.221 nan 8.150 nan 0.000 0.415 1344 R N 1.149 121.500 120.500 -0.248 0.000 2.707 1344 R HA 0.590 4.929 4.340 -0.002 0.000 0.270 1344 R C 0.095 176.333 176.300 -0.103 0.000 1.083 1344 R CA 0.277 56.238 56.100 -0.231 0.000 1.182 1344 R CB 0.690 30.919 30.300 -0.118 0.000 1.084 1344 R HN 0.885 nan 8.270 nan 0.000 0.528 1345 E N 0.000 120.199 120.200 -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 56.439 56.400 0.064 0.000 0.976 1345 E CB 0.000 29.734 29.700 0.057 0.000 0.812 1345 E HN 0.000 nan 8.360 nan 0.000 0.440