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 1s16_1_A DATA FIRST_RESID 1004 DATA SEQUENCE TYNADAIEVL TGLEPVRRRP GMYTDTTRPN HLGQEVIDNS VDEALAGHAK DATA SEQUENCE RVDVILHADQ SLEVIDDGRG MPVDIHPEEG VPAVELILCR LHAGGKFSNK DATA SEQUENCE NYQFSGGLHG VGISVVNALS KRVEVNVRRD GQVYNIAFEN GEKVQDLQVV DATA SEQUENCE GTCGKRNTGT SVHFWPDETF FDSPRFSVSR LTHVLKAKAV LCPGVEITFK DATA SEQUENCE DEINNTEQRW CYQDGLNDYL AEAVNGLPTL PEKPFIGNFA GDTEAVDWAL DATA SEQUENCE LWLPEGGELL TESYVNLIPT MQGGTHVNGL RQGLLDAMRE FCEYRNILPR DATA SEQUENCE GVKLSAEDIW DRCAYVLSVK MQDPQFAGQT KERLSSRQCA AFVSGVVKDA DATA SEQUENCE FILWLNQNVQ AAELLAEMAI SSAQRRMRAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1004 T HA 0.000 nan 4.350 nan 0.000 0.228 1004 T C 0.000 174.798 174.700 0.163 0.000 1.109 1004 T CA 0.000 62.152 62.100 0.087 0.000 1.349 1004 T CB 0.000 68.900 68.868 0.053 0.000 0.612 1005 Y N 1.933 122.233 120.300 0.001 0.000 2.592 1005 Y HA 0.528 5.082 4.550 0.006 0.000 0.354 1005 Y C -0.511 175.390 175.900 0.001 0.000 1.063 1005 Y CA -1.070 57.031 58.100 0.001 0.000 1.205 1005 Y CB 0.195 38.656 38.460 0.001 0.000 1.106 1005 Y HN 0.876 nan 8.280 nan 0.000 0.649 1006 N N 0.885 119.492 118.700 -0.155 0.000 2.725 1006 N HA 0.590 5.334 4.740 0.006 0.000 0.312 1006 N C 0.999 176.373 175.510 -0.227 0.000 1.295 1006 N CA -0.260 52.673 53.050 -0.194 0.000 0.914 1006 N CB 1.022 39.461 38.487 -0.081 0.000 1.177 1006 N HN 0.348 nan 8.380 nan 0.000 0.601 1007 A N 0.747 123.474 122.820 -0.154 0.000 1.948 1007 A HA -0.240 4.084 4.320 0.006 0.000 0.220 1007 A C 1.518 179.053 177.584 -0.083 0.000 1.177 1007 A CA 2.137 54.102 52.037 -0.121 0.000 0.636 1007 A CB -0.891 18.062 19.000 -0.078 0.000 0.815 1007 A HN 0.877 nan 8.150 nan 0.000 0.449 1008 D N 0.222 120.587 120.400 -0.057 0.000 2.351 1008 D HA -0.010 4.634 4.640 0.006 0.000 0.216 1008 D C 1.538 177.832 176.300 -0.011 0.000 0.968 1008 D CA 1.119 55.103 54.000 -0.026 0.000 0.899 1008 D CB -0.345 40.447 40.800 -0.013 0.000 0.907 1008 D HN 0.444 nan 8.370 nan 0.000 0.514 1009 A N 0.444 123.250 122.820 -0.024 0.000 2.067 1009 A HA 0.091 4.415 4.320 0.006 0.000 0.217 1009 A C 1.202 178.811 177.584 0.042 0.000 1.156 1009 A CA 0.054 52.114 52.037 0.039 0.000 0.683 1009 A CB -0.125 18.935 19.000 0.100 0.000 0.808 1009 A HN 0.154 nan 8.150 nan 0.000 0.455 1010 I N 1.723 122.289 120.570 -0.006 0.000 2.352 1010 I HA 0.205 4.378 4.170 0.006 0.000 0.290 1010 I C -0.190 175.934 176.117 0.012 0.000 1.036 1010 I CA -0.128 61.176 61.300 0.007 0.000 1.336 1010 I CB 0.004 37.992 38.000 -0.021 0.000 1.407 1010 I HN 0.306 nan 8.210 nan 0.000 0.497 1011 E N 5.169 125.383 120.200 0.024 0.000 2.191 1011 E HA 0.469 4.823 4.350 0.006 0.000 0.278 1011 E C -0.959 175.653 176.600 0.019 0.000 0.972 1011 E CA -0.726 55.686 56.400 0.021 0.000 0.804 1011 E CB 2.582 32.298 29.700 0.027 0.000 1.110 1011 E HN 0.271 nan 8.360 nan 0.000 0.394 1012 V N 4.865 124.787 119.914 0.014 0.000 2.311 1012 V HA 0.209 4.333 4.120 0.006 0.000 0.275 1012 V C -0.075 176.028 176.094 0.015 0.000 1.022 1012 V CA -0.587 61.721 62.300 0.014 0.000 0.830 1012 V CB 0.311 32.139 31.823 0.008 0.000 1.012 1012 V HN 0.533 nan 8.190 nan 0.000 0.452 1013 L N 5.520 126.754 121.223 0.019 0.000 2.331 1013 L HA 0.586 4.930 4.340 0.006 0.000 0.278 1013 L C 0.741 177.618 176.870 0.011 0.000 1.106 1013 L CA 0.130 54.979 54.840 0.016 0.000 0.824 1013 L CB 1.343 43.415 42.059 0.021 0.000 1.142 1013 L HN 0.784 nan 8.230 nan 0.000 0.443 1014 T N -0.862 113.694 114.554 0.004 0.000 2.888 1014 T HA 0.789 5.143 4.350 0.006 0.000 0.288 1014 T C 0.484 175.175 174.700 -0.014 0.000 1.063 1014 T CA -0.047 62.053 62.100 -0.000 0.000 1.010 1014 T CB 1.974 70.844 68.868 0.003 0.000 1.214 1014 T HN 0.912 nan 8.240 nan 0.000 0.533 1015 G N 0.663 109.452 108.800 -0.019 0.000 2.591 1015 G HA2 -0.244 3.720 3.960 0.006 0.000 0.298 1015 G HA3 -0.244 3.720 3.960 0.006 0.000 0.298 1015 G C 0.537 175.392 174.900 -0.075 0.000 1.195 1015 G CA 0.365 45.444 45.100 -0.035 0.000 0.989 1015 G HN 1.036 nan 8.290 nan 0.000 0.551 1016 L N 1.320 122.490 121.223 -0.087 0.000 2.640 1016 L HA 0.247 4.591 4.340 0.006 0.000 0.230 1016 L C 2.426 179.214 176.870 -0.137 0.000 1.123 1016 L CA 0.602 55.353 54.840 -0.147 0.000 0.900 1016 L CB -0.115 41.857 42.059 -0.145 0.000 1.146 1016 L HN 0.658 nan 8.230 nan 0.000 0.484 1017 E N 1.302 121.458 120.200 -0.075 0.000 2.097 1017 E HA -0.215 4.139 4.350 0.006 0.000 0.196 1017 E C -0.688 175.880 176.600 -0.053 0.000 1.000 1017 E CA 1.453 57.827 56.400 -0.043 0.000 0.804 1017 E CB -0.790 28.903 29.700 -0.012 0.000 0.740 1017 E HN 0.461 nan 8.360 nan 0.000 0.454 1018 P HA -0.113 nan 4.420 nan 0.000 0.218 1018 P C 1.527 178.786 177.300 -0.068 0.000 1.149 1018 P CA 1.088 64.175 63.100 -0.021 0.000 0.817 1018 P CB 0.049 31.762 31.700 0.022 0.000 0.785 1019 V N 0.642 120.376 119.914 -0.300 0.000 2.453 1019 V HA -0.127 3.997 4.120 0.006 0.000 0.247 1019 V C 2.736 178.672 176.094 -0.263 0.000 1.048 1019 V CA 1.656 63.706 62.300 -0.417 0.000 1.049 1019 V CB -1.117 30.332 31.823 -0.624 0.000 0.672 1019 V HN 0.055 nan 8.190 nan 0.000 0.457 1020 R N -0.368 120.003 120.500 -0.216 0.000 2.148 1020 R HA -0.060 4.283 4.340 0.006 0.000 0.223 1020 R C 2.456 178.778 176.300 0.036 0.000 1.088 1020 R CA 0.841 56.846 56.100 -0.159 0.000 0.985 1020 R CB -0.180 30.115 30.300 -0.009 0.000 0.880 1020 R HN 0.256 nan 8.270 nan 0.000 0.451 1021 R N 0.400 120.914 120.500 0.023 0.000 2.100 1021 R HA 0.091 4.435 4.340 0.006 0.000 0.220 1021 R C 0.176 176.514 176.300 0.064 0.000 1.091 1021 R CA 1.127 57.264 56.100 0.061 0.000 0.986 1021 R CB 0.552 30.880 30.300 0.046 0.000 0.888 1021 R HN -0.149 nan 8.270 nan 0.000 0.444 1022 R N -0.076 120.462 120.500 0.065 0.000 2.748 1022 R HA 0.268 4.612 4.340 0.006 0.000 0.283 1022 R C -2.291 174.072 176.300 0.104 0.000 1.507 1022 R CA -2.042 54.107 56.100 0.081 0.000 1.666 1022 R CB 0.905 31.263 30.300 0.095 0.000 1.237 1022 R HN 0.134 nan 8.270 nan 0.000 0.633 1023 P HA -0.114 nan 4.420 nan 0.000 0.216 1023 P C 1.449 178.743 177.300 -0.010 0.000 1.150 1023 P CA 1.275 64.346 63.100 -0.048 0.000 0.837 1023 P CB 0.304 31.921 31.700 -0.138 0.000 0.786 1024 G N -0.469 108.320 108.800 -0.019 0.000 2.462 1024 G HA2 -0.281 3.682 3.960 0.006 0.000 0.220 1024 G HA3 -0.281 3.682 3.960 0.006 0.000 0.220 1024 G C 1.440 176.296 174.900 -0.073 0.000 1.121 1024 G CA 0.710 45.786 45.100 -0.040 0.000 0.758 1024 G HN 0.277 nan 8.290 nan 0.000 0.559 1025 M N -1.190 118.346 119.600 -0.106 0.000 2.506 1025 M HA 0.222 4.706 4.480 0.006 0.000 0.260 1025 M C 1.347 177.373 176.300 -0.457 0.000 1.104 1025 M CA 0.795 55.927 55.300 -0.280 0.000 1.112 1025 M CB 0.317 32.697 32.600 -0.367 0.000 1.401 1025 M HN 0.305 nan 8.290 nan 0.000 0.473 1026 Y N -1.186 119.065 120.300 -0.081 0.000 2.430 1026 Y HA 0.301 4.855 4.550 0.006 0.000 0.248 1026 Y C 0.916 176.773 175.900 -0.071 0.000 1.108 1026 Y CA 0.053 58.105 58.100 -0.080 0.000 1.264 1026 Y CB 0.848 39.248 38.460 -0.100 0.000 1.172 1026 Y HN 0.086 nan 8.280 nan 0.000 0.520 1027 T N -1.458 113.117 114.554 0.034 0.000 2.711 1027 T HA 0.158 4.512 4.350 0.006 0.000 0.302 1027 T C -2.139 172.543 174.700 -0.030 0.000 1.373 1027 T CA -0.745 61.364 62.100 0.015 0.000 1.000 1027 T CB 1.345 70.293 68.868 0.133 0.000 1.483 1027 T HN -0.128 nan 8.240 nan 0.000 0.499 1028 D N 1.220 121.620 120.400 0.000 0.000 2.380 1028 D HA 0.260 4.904 4.640 0.006 0.000 0.230 1028 D C 1.358 177.771 176.300 0.187 0.000 1.154 1028 D CA -0.130 53.888 54.000 0.030 0.000 0.859 1028 D CB 1.243 42.057 40.800 0.022 0.000 1.045 1028 D HN 0.610 nan 8.370 nan 0.000 0.495 1029 T N 0.057 114.677 114.554 0.111 0.000 3.215 1029 T HA -0.039 4.315 4.350 0.006 0.000 0.254 1029 T C 1.535 176.382 174.700 0.245 0.000 1.149 1029 T CA 0.268 62.440 62.100 0.120 0.000 1.042 1029 T CB -0.117 68.718 68.868 -0.055 0.000 0.966 1029 T HN 0.234 nan 8.240 nan 0.000 0.534 1030 T N 2.153 116.824 114.554 0.196 0.000 2.777 1030 T HA 0.010 4.364 4.350 0.006 0.000 0.266 1030 T C 0.910 175.715 174.700 0.175 0.000 1.040 1030 T CA 0.981 63.167 62.100 0.145 0.000 1.141 1030 T CB -0.154 68.764 68.868 0.083 0.000 0.868 1030 T HN 0.757 nan 8.240 nan 0.000 0.444 1031 R N -0.149 120.457 120.500 0.177 0.000 2.728 1031 R HA 0.305 4.648 4.340 0.006 0.000 0.274 1031 R C -2.963 173.128 176.300 -0.348 0.000 1.030 1031 R CA -1.617 54.446 56.100 -0.063 0.000 0.876 1031 R CB 0.461 30.694 30.300 -0.111 0.000 1.259 1031 R HN -0.221 nan 8.270 nan 0.000 0.468 1032 P HA -0.047 nan 4.420 nan 0.000 0.245 1032 P C -0.100 176.906 177.300 -0.489 0.000 1.212 1032 P CA 0.445 62.881 63.100 -1.108 0.000 0.774 1032 P CB 0.043 30.867 31.700 -1.460 0.000 0.999 1033 N N 0.111 118.641 118.700 -0.284 0.000 2.091 1033 N HA -0.220 4.523 4.740 0.006 0.000 0.193 1033 N C 1.823 177.415 175.510 0.137 0.000 1.021 1033 N CA 1.192 54.306 53.050 0.106 0.000 0.862 1033 N CB -0.688 37.854 38.487 0.091 0.000 1.018 1033 N HN 0.364 nan 8.380 nan 0.000 0.429 1034 H N 0.624 119.732 119.070 0.065 0.000 2.421 1034 H HA -0.046 4.513 4.556 0.006 0.000 0.298 1034 H C 1.966 177.343 175.328 0.082 0.000 1.087 1034 H CA 0.774 56.866 56.048 0.072 0.000 1.330 1034 H CB 0.206 30.007 29.762 0.065 0.000 1.388 1034 H HN 0.087 nan 8.280 nan 0.000 0.526 1035 L N 0.013 121.347 121.223 0.185 0.000 2.042 1035 L HA -0.093 4.250 4.340 0.006 0.000 0.210 1035 L C 2.866 179.777 176.870 0.067 0.000 1.076 1035 L CA 1.783 56.678 54.840 0.092 0.000 0.749 1035 L CB -1.135 41.010 42.059 0.143 0.000 0.893 1035 L HN 0.311 nan 8.230 nan 0.000 0.432 1036 G N -1.869 107.141 108.800 0.350 0.000 2.422 1036 G HA2 -0.273 3.691 3.960 0.006 0.000 0.218 1036 G HA3 -0.273 3.691 3.960 0.006 0.000 0.218 1036 G C 1.515 176.467 174.900 0.087 0.000 1.146 1036 G CA 0.546 45.870 45.100 0.374 0.000 0.769 1036 G HN 0.450 nan 8.290 nan 0.000 0.547 1037 Q N -0.127 119.645 119.800 -0.046 0.000 2.167 1037 Q HA -0.071 4.273 4.340 0.006 0.000 0.202 1037 Q C 2.530 178.439 176.000 -0.150 0.000 0.970 1037 Q CA 1.040 56.742 55.803 -0.169 0.000 0.855 1037 Q CB -0.021 28.472 28.738 -0.409 0.000 0.911 1037 Q HN 0.408 nan 8.270 nan 0.000 0.438 1038 E N 0.100 120.221 120.200 -0.131 0.000 2.058 1038 E HA -0.161 4.193 4.350 0.006 0.000 0.194 1038 E C 2.193 178.740 176.600 -0.090 0.000 0.997 1038 E CA 1.212 57.554 56.400 -0.097 0.000 0.801 1038 E CB -0.255 29.398 29.700 -0.077 0.000 0.746 1038 E HN 0.211 nan 8.360 nan 0.000 0.450 1039 V N 1.649 121.516 119.914 -0.079 0.000 2.307 1039 V HA -0.220 3.904 4.120 0.006 0.000 0.245 1039 V C 2.506 178.593 176.094 -0.011 0.000 1.045 1039 V CA 1.413 63.689 62.300 -0.039 0.000 1.024 1039 V CB -0.525 31.306 31.823 0.013 0.000 0.651 1039 V HN 0.159 nan 8.190 nan 0.000 0.449 1040 I N 0.398 120.963 120.570 -0.008 0.000 2.208 1040 I HA -0.247 3.927 4.170 0.006 0.000 0.245 1040 I C 2.323 178.421 176.117 -0.031 0.000 1.097 1040 I CA 1.649 62.942 61.300 -0.012 0.000 1.363 1040 I CB -0.557 37.428 38.000 -0.025 0.000 1.051 1040 I HN 0.313 nan 8.210 nan 0.000 0.413 1041 D N 0.858 121.223 120.400 -0.058 0.000 2.123 1041 D HA -0.172 4.472 4.640 0.006 0.000 0.196 1041 D C 1.908 178.166 176.300 -0.070 0.000 0.992 1041 D CA 1.165 55.123 54.000 -0.070 0.000 0.833 1041 D CB -0.529 40.212 40.800 -0.098 0.000 0.954 1041 D HN 0.291 nan 8.370 nan 0.000 0.455 1042 N N 0.194 118.852 118.700 -0.070 0.000 2.166 1042 N HA -0.072 4.672 4.740 0.006 0.000 0.186 1042 N C 1.822 177.328 175.510 -0.006 0.000 1.019 1042 N CA 0.657 53.665 53.050 -0.069 0.000 0.856 1042 N CB -0.270 38.184 38.487 -0.054 0.000 0.993 1042 N HN 0.017 nan 8.380 nan 0.000 0.426 1043 S N 0.098 115.806 115.700 0.014 0.000 2.387 1043 S HA -0.007 4.467 4.470 0.006 0.000 0.226 1043 S C 2.187 176.818 174.600 0.051 0.000 1.026 1043 S CA 0.452 58.680 58.200 0.046 0.000 0.972 1043 S CB -0.101 63.123 63.200 0.041 0.000 0.814 1043 S HN 0.075 nan 8.310 nan 0.000 0.477 1044 V N 2.503 122.429 119.914 0.020 0.000 2.490 1044 V HA -0.163 3.960 4.120 0.006 0.000 0.250 1044 V C 1.947 178.066 176.094 0.043 0.000 1.061 1044 V CA 1.627 63.937 62.300 0.017 0.000 1.064 1044 V CB -0.669 31.146 31.823 -0.014 0.000 0.670 1044 V HN 0.373 nan 8.190 nan 0.000 0.461 1045 D N -0.312 120.104 120.400 0.026 0.000 2.144 1045 D HA -0.136 4.508 4.640 0.006 0.000 0.199 1045 D C 2.271 178.743 176.300 0.285 0.000 0.984 1045 D CA 0.904 54.934 54.000 0.050 0.000 0.834 1045 D CB -0.116 40.532 40.800 -0.253 0.000 0.955 1045 D HN 0.411 nan 8.370 nan 0.000 0.465 1046 E N 0.574 120.951 120.200 0.295 0.000 2.106 1046 E HA -0.082 4.272 4.350 0.006 0.000 0.192 1046 E C 2.078 178.786 176.600 0.179 0.000 0.984 1046 E CA 0.717 57.314 56.400 0.329 0.000 0.806 1046 E CB -0.156 29.691 29.700 0.245 0.000 0.750 1046 E HN 0.209 nan 8.360 nan 0.000 0.458 1047 A N 1.227 124.114 122.820 0.113 0.000 1.898 1047 A HA -0.117 4.207 4.320 0.006 0.000 0.216 1047 A C 2.375 179.977 177.584 0.031 0.000 1.181 1047 A CA 0.934 53.003 52.037 0.054 0.000 0.620 1047 A CB -0.721 18.302 19.000 0.038 0.000 0.819 1047 A HN 0.174 nan 8.150 nan 0.000 0.442 1048 L N -0.797 120.463 121.223 0.063 0.000 2.127 1048 L HA -0.197 4.147 4.340 0.006 0.000 0.211 1048 L C 2.780 179.677 176.870 0.045 0.000 1.089 1048 L CA 1.033 55.914 54.840 0.069 0.000 0.757 1048 L CB -0.347 41.780 42.059 0.113 0.000 0.899 1048 L HN 0.445 nan 8.230 nan 0.000 0.434 1049 A N -0.684 122.156 122.820 0.033 0.000 2.238 1049 A HA 0.255 4.579 4.320 0.006 0.000 0.208 1049 A C 1.685 179.005 177.584 -0.441 0.000 1.177 1049 A CA 0.728 52.685 52.037 -0.134 0.000 0.804 1049 A CB -0.459 18.504 19.000 -0.061 0.000 0.823 1049 A HN 0.535 nan 8.150 nan 0.000 0.482 1050 G N -1.516 107.118 108.800 -0.276 0.000 2.136 1050 G HA2 -0.269 3.695 3.960 0.006 0.000 0.242 1050 G HA3 -0.269 3.695 3.960 0.006 0.000 0.242 1050 G C 0.605 175.331 174.900 -0.291 0.000 0.989 1050 G CA 0.604 45.546 45.100 -0.263 0.000 0.682 1050 G HN 0.644 nan 8.290 nan 0.000 0.522 1051 H N -0.475 118.598 119.070 0.006 0.000 2.476 1051 H HA 0.502 5.062 4.556 0.007 0.000 0.292 1051 H C 1.775 177.110 175.328 0.012 0.000 1.019 1051 H CA 1.050 57.097 56.048 -0.002 0.000 1.330 1051 H CB 0.217 29.968 29.762 -0.019 0.000 1.451 1051 H HN 0.743 nan 8.280 nan 0.000 0.535 1052 A N 1.119 124.015 122.820 0.126 0.000 2.312 1052 A HA 0.395 4.719 4.320 0.006 0.000 0.326 1052 A C 0.726 178.337 177.584 0.046 0.000 1.172 1052 A CA -0.465 51.623 52.037 0.084 0.000 0.821 1052 A CB 1.312 20.366 19.000 0.088 0.000 1.166 1052 A HN 0.216 nan 8.150 nan 0.000 0.493 1053 K N 0.177 120.598 120.400 0.035 0.000 2.367 1053 K HA 0.117 4.441 4.320 0.006 0.000 0.195 1053 K C 0.257 176.867 176.600 0.016 0.000 1.060 1053 K CA 0.456 56.755 56.287 0.019 0.000 1.022 1053 K CB 0.463 32.970 32.500 0.012 0.000 0.894 1053 K HN 0.811 nan 8.250 nan 0.000 0.540 1054 R N -0.649 119.866 120.500 0.024 0.000 2.680 1054 R HA 0.478 4.822 4.340 0.006 0.000 0.269 1054 R C -1.501 174.818 176.300 0.032 0.000 1.026 1054 R CA -0.865 55.248 56.100 0.023 0.000 0.889 1054 R CB 1.555 31.863 30.300 0.012 0.000 1.241 1054 R HN -0.239 nan 8.270 nan 0.000 0.463 1055 V N 2.016 121.953 119.914 0.038 0.000 2.482 1055 V HA 0.331 4.455 4.120 0.006 0.000 0.295 1055 V C -1.090 175.035 176.094 0.052 0.000 1.026 1055 V CA -0.774 61.553 62.300 0.044 0.000 0.856 1055 V CB 1.791 33.640 31.823 0.044 0.000 1.001 1055 V HN 0.764 nan 8.190 nan 0.000 0.424 1056 D N 3.851 124.273 120.400 0.037 0.000 2.256 1056 D HA 0.563 5.207 4.640 0.006 0.000 0.240 1056 D C -0.617 175.700 176.300 0.028 0.000 1.062 1056 D CA -0.182 53.836 54.000 0.029 0.000 0.832 1056 D CB 2.851 43.647 40.800 -0.006 0.000 1.135 1056 D HN 0.256 nan 8.370 nan 0.000 0.484 1057 V N 2.975 122.928 119.914 0.066 0.000 2.628 1057 V HA 0.525 4.649 4.120 0.006 0.000 0.306 1057 V C 0.167 176.250 176.094 -0.019 0.000 1.045 1057 V CA -0.738 61.603 62.300 0.067 0.000 0.905 1057 V CB 1.979 33.912 31.823 0.183 0.000 0.997 1057 V HN 0.396 nan 8.190 nan 0.000 0.436 1058 I N 4.660 125.123 120.570 -0.178 0.000 2.478 1058 I HA 0.400 4.574 4.170 0.006 0.000 0.287 1058 I C -0.743 175.067 176.117 -0.512 0.000 1.042 1058 I CA -0.381 60.665 61.300 -0.423 0.000 1.067 1058 I CB 2.083 39.743 38.000 -0.568 0.000 1.233 1058 I HN 0.378 nan 8.210 nan 0.000 0.431 1059 L N 6.599 127.536 121.223 -0.477 0.000 2.255 1059 L HA 0.408 4.752 4.340 0.006 0.000 0.289 1059 L C -0.199 176.425 176.870 -0.411 0.000 1.046 1059 L CA -0.380 54.237 54.840 -0.373 0.000 0.816 1059 L CB 0.162 42.131 42.059 -0.151 0.000 1.197 1059 L HN 0.593 nan 8.230 nan 0.000 0.427 1060 H N 3.322 122.245 119.070 -0.244 0.000 2.551 1060 H HA 0.114 4.674 4.556 0.006 0.000 0.358 1060 H C 0.901 176.187 175.328 -0.069 0.000 1.151 1060 H CA 0.254 56.214 56.048 -0.147 0.000 1.374 1060 H CB 1.775 31.466 29.762 -0.118 0.000 1.473 1060 H HN 0.800 nan 8.280 nan 0.000 0.574 1061 A N 2.449 125.324 122.820 0.092 0.000 1.997 1061 A HA -0.244 4.080 4.320 0.006 0.000 0.221 1061 A C 1.539 179.183 177.584 0.100 0.000 1.172 1061 A CA 2.020 54.100 52.037 0.072 0.000 0.645 1061 A CB -0.478 18.562 19.000 0.068 0.000 0.813 1061 A HN 0.792 nan 8.150 nan 0.000 0.454 1062 D N -2.418 118.067 120.400 0.142 0.000 2.324 1062 D HA 0.113 4.757 4.640 0.006 0.000 0.235 1062 D C 0.670 177.064 176.300 0.156 0.000 1.095 1062 D CA 0.631 54.730 54.000 0.166 0.000 0.871 1062 D CB -0.240 40.709 40.800 0.248 0.000 0.906 1062 D HN 0.328 nan 8.370 nan 0.000 0.522 1063 Q N -0.492 119.379 119.800 0.117 0.000 2.503 1063 Q HA -0.204 4.140 4.340 0.006 0.000 0.267 1063 Q C -0.714 175.345 176.000 0.098 0.000 1.030 1063 Q CA 0.848 56.736 55.803 0.142 0.000 1.041 1063 Q CB -2.091 26.750 28.738 0.173 0.000 1.406 1063 Q HN 0.541 nan 8.270 nan 0.000 0.524 1064 S N -1.151 114.492 115.700 -0.095 0.000 2.687 1064 S HA 0.786 5.260 4.470 0.006 0.000 0.283 1064 S C -0.310 174.001 174.600 -0.482 0.000 1.170 1064 S CA -1.007 56.932 58.200 -0.435 0.000 1.008 1064 S CB 2.222 64.740 63.200 -1.136 0.000 1.026 1064 S HN 0.360 nan 8.310 nan 0.000 0.541 1065 L N 1.247 121.994 121.223 -0.794 0.000 2.365 1065 L HA 0.605 4.949 4.340 0.006 0.000 0.273 1065 L C -0.659 175.895 176.870 -0.527 0.000 1.000 1065 L CA -0.257 54.114 54.840 -0.782 0.000 0.819 1065 L CB 1.655 43.054 42.059 -1.101 0.000 1.284 1065 L HN 1.119 nan 8.230 nan 0.000 0.418 1066 E N 3.403 123.370 120.200 -0.388 0.000 2.210 1066 E HA 0.591 4.945 4.350 0.006 0.000 0.266 1066 E C -1.845 174.693 176.600 -0.104 0.000 0.883 1066 E CA -0.584 55.645 56.400 -0.284 0.000 0.761 1066 E CB 2.229 31.657 29.700 -0.453 0.000 1.156 1066 E HN 0.407 nan 8.360 nan 0.000 0.412 1067 V N 6.314 126.238 119.914 0.017 0.000 2.444 1067 V HA 0.450 4.574 4.120 0.006 0.000 0.294 1067 V C -0.330 175.793 176.094 0.048 0.000 1.022 1067 V CA -0.586 61.739 62.300 0.041 0.000 0.850 1067 V CB 1.300 33.175 31.823 0.085 0.000 0.992 1067 V HN 0.626 nan 8.190 nan 0.000 0.426 1068 I N 4.719 125.308 120.570 0.032 0.000 2.465 1068 I HA 0.644 4.818 4.170 0.006 0.000 0.291 1068 I C -0.841 175.300 176.117 0.041 0.000 1.014 1068 I CA -0.465 60.858 61.300 0.039 0.000 1.093 1068 I CB 2.177 40.191 38.000 0.024 0.000 1.267 1068 I HN 0.798 nan 8.210 nan 0.000 0.431 1069 D N 2.714 123.144 120.400 0.050 0.000 2.523 1069 D HA 0.328 4.972 4.640 0.006 0.000 0.236 1069 D C -0.867 175.464 176.300 0.052 0.000 1.094 1069 D CA -0.710 53.320 54.000 0.051 0.000 0.942 1069 D CB 1.531 42.367 40.800 0.060 0.000 1.447 1069 D HN 0.508 nan 8.370 nan 0.000 0.479 1070 D N 0.105 120.536 120.400 0.050 0.000 2.894 1070 D HA 0.254 4.898 4.640 0.006 0.000 0.273 1070 D C 0.694 177.030 176.300 0.060 0.000 1.328 1070 D CA -0.597 53.432 54.000 0.048 0.000 0.845 1070 D CB 0.004 40.826 40.800 0.037 0.000 1.072 1070 D HN 0.456 nan 8.370 nan 0.000 0.484 1071 G N 0.527 109.370 108.800 0.072 0.000 2.504 1071 G HA2 0.086 4.050 3.960 0.006 0.000 0.257 1071 G HA3 0.086 4.050 3.960 0.006 0.000 0.257 1071 G C 0.897 175.823 174.900 0.043 0.000 1.451 1071 G CA -0.733 44.421 45.100 0.089 0.000 1.059 1071 G HN 0.109 nan 8.290 nan 0.000 0.550 1072 R N -0.399 120.095 120.500 -0.010 0.000 2.235 1072 R HA 0.228 4.572 4.340 0.006 0.000 0.213 1072 R C 1.228 177.512 176.300 -0.026 0.000 1.059 1072 R CA 0.721 56.773 56.100 -0.080 0.000 0.997 1072 R CB -0.361 29.802 30.300 -0.229 0.000 0.884 1072 R HN 0.930 nan 8.270 nan 0.000 0.462 1073 G N 1.114 109.923 108.800 0.014 0.000 2.767 1073 G HA2 -0.262 3.702 3.960 0.006 0.000 0.686 1073 G HA3 -0.262 3.702 3.960 0.006 0.000 0.686 1073 G C -0.320 174.593 174.900 0.023 0.000 1.213 1073 G CA -0.830 44.291 45.100 0.034 0.000 0.803 1073 G HN 0.049 nan 8.290 nan 0.000 0.603 1074 M N 2.629 122.252 119.600 0.038 0.000 2.248 1074 M HA 0.185 4.669 4.480 0.006 0.000 0.345 1074 M C -1.760 174.536 176.300 -0.006 0.000 1.243 1074 M CA -0.867 54.450 55.300 0.030 0.000 1.090 1074 M CB 0.310 32.937 32.600 0.045 0.000 1.683 1074 M HN 0.314 nan 8.290 nan 0.000 0.450 1075 P HA -0.040 nan 4.420 nan 0.000 0.264 1075 P C 0.390 177.647 177.300 -0.071 0.000 1.193 1075 P CA 0.007 63.080 63.100 -0.044 0.000 0.763 1075 P CB 0.389 32.079 31.700 -0.017 0.000 0.810 1076 V N -0.083 119.734 119.914 -0.162 0.000 3.605 1076 V HA 0.112 4.236 4.120 0.006 0.000 0.284 1076 V C 0.552 176.537 176.094 -0.182 0.000 1.386 1076 V CA 0.005 62.165 62.300 -0.233 0.000 1.053 1076 V CB -0.626 30.854 31.823 -0.572 0.000 0.857 1076 V HN 0.391 nan 8.190 nan 0.000 0.436 1077 D N 1.209 121.531 120.400 -0.131 0.000 2.361 1077 D HA 0.096 4.740 4.640 0.006 0.000 0.239 1077 D C 0.247 176.533 176.300 -0.024 0.000 1.200 1077 D CA -0.486 53.469 54.000 -0.076 0.000 0.915 1077 D CB 1.163 41.927 40.800 -0.060 0.000 1.170 1077 D HN 0.110 nan 8.370 nan 0.000 0.444 1078 I N 1.100 121.667 120.570 -0.005 0.000 2.618 1078 I HA -0.083 4.091 4.170 0.006 0.000 0.284 1078 I C 1.104 177.250 176.117 0.049 0.000 1.146 1078 I CA 0.175 61.495 61.300 0.033 0.000 1.425 1078 I CB -0.543 37.474 38.000 0.028 0.000 1.383 1078 I HN 0.440 nan 8.210 nan 0.000 0.562 1079 H N 9.747 128.819 119.070 0.004 0.000 2.899 1079 H HA 0.083 4.643 4.556 0.006 0.000 0.303 1079 H C -1.436 173.899 175.328 0.011 0.000 1.042 1079 H CA -1.240 54.815 56.048 0.010 0.000 1.479 1079 H CB 1.353 31.126 29.762 0.019 0.000 1.493 1079 H HN 0.359 nan 8.280 nan 0.000 0.534 1080 P HA -0.175 nan 4.420 nan 0.000 0.218 1080 P C 0.480 177.823 177.300 0.071 0.000 1.146 1080 P CA 1.422 64.483 63.100 -0.065 0.000 0.813 1080 P CB 0.498 32.112 31.700 -0.142 0.000 0.778 1081 E N -0.893 119.470 120.200 0.271 0.000 2.244 1081 E HA -0.010 4.344 4.350 0.006 0.000 0.196 1081 E C 1.860 178.582 176.600 0.204 0.000 0.939 1081 E CA 0.160 56.711 56.400 0.251 0.000 0.884 1081 E CB 0.011 29.872 29.700 0.267 0.000 0.850 1081 E HN 0.181 nan 8.360 nan 0.000 0.481 1082 E N 0.184 120.534 120.200 0.251 0.000 2.385 1082 E HA 0.019 4.373 4.350 0.006 0.000 0.194 1082 E C 1.061 177.701 176.600 0.067 0.000 1.013 1082 E CA 0.651 57.073 56.400 0.036 0.000 0.866 1082 E CB 0.404 30.004 29.700 -0.166 0.000 0.832 1082 E HN 0.344 nan 8.360 nan 0.000 0.500 1083 G N 1.236 110.106 108.800 0.117 0.000 2.249 1083 G HA2 -0.261 3.702 3.960 0.006 0.000 0.273 1083 G HA3 -0.261 3.702 3.960 0.006 0.000 0.273 1083 G C 0.078 175.016 174.900 0.064 0.000 1.036 1083 G CA 0.665 45.812 45.100 0.078 0.000 0.824 1083 G HN 0.162 nan 8.290 nan 0.000 0.504 1084 V N 0.381 120.342 119.914 0.079 0.000 3.049 1084 V HA 0.613 4.737 4.120 0.006 0.000 0.309 1084 V C -2.066 174.074 176.094 0.076 0.000 1.148 1084 V CA -1.603 60.734 62.300 0.061 0.000 0.990 1084 V CB 2.775 34.625 31.823 0.045 0.000 1.039 1084 V HN 0.110 nan 8.190 nan 0.000 0.430 1085 P HA 0.057 nan 4.420 nan 0.000 0.264 1085 P C 0.599 177.938 177.300 0.064 0.000 1.193 1085 P CA 0.394 63.520 63.100 0.043 0.000 0.763 1085 P CB 0.945 32.657 31.700 0.020 0.000 0.810 1086 A N 4.564 127.426 122.820 0.070 0.000 1.940 1086 A HA -0.226 4.097 4.320 0.006 0.000 0.221 1086 A C 2.114 179.737 177.584 0.064 0.000 1.190 1086 A CA 2.545 54.637 52.037 0.091 0.000 0.647 1086 A CB -1.742 17.306 19.000 0.081 0.000 0.821 1086 A HN 0.431 nan 8.150 nan 0.000 0.457 1087 V N -0.245 119.701 119.914 0.054 0.000 2.282 1087 V HA -0.350 3.774 4.120 0.006 0.000 0.249 1087 V C 2.324 178.489 176.094 0.120 0.000 1.057 1087 V CA 2.448 64.796 62.300 0.080 0.000 1.032 1087 V CB -1.165 30.715 31.823 0.094 0.000 0.645 1087 V HN 0.653 nan 8.190 nan 0.000 0.447 1088 E N -0.237 120.052 120.200 0.149 0.000 2.077 1088 E HA -0.228 4.126 4.350 0.006 0.000 0.193 1088 E C 2.161 178.809 176.600 0.080 0.000 0.989 1088 E CA 1.317 57.838 56.400 0.200 0.000 0.800 1088 E CB -0.238 29.567 29.700 0.175 0.000 0.746 1088 E HN 0.402 nan 8.360 nan 0.000 0.452 1089 L N 0.967 122.216 121.223 0.043 0.000 2.017 1089 L HA -0.178 4.166 4.340 0.006 0.000 0.208 1089 L C 2.107 178.966 176.870 -0.017 0.000 1.073 1089 L CA 1.491 56.330 54.840 -0.003 0.000 0.745 1089 L CB -0.272 41.773 42.059 -0.024 0.000 0.894 1089 L HN 0.132 nan 8.230 nan 0.000 0.432 1090 I N -1.588 118.979 120.570 -0.006 0.000 2.226 1090 I HA -0.292 3.882 4.170 0.006 0.000 0.245 1090 I C 2.087 178.149 176.117 -0.091 0.000 1.100 1090 I CA 0.739 62.022 61.300 -0.029 0.000 1.374 1090 I CB -0.233 37.764 38.000 -0.005 0.000 1.057 1090 I HN 0.221 nan 8.210 nan 0.000 0.413 1091 L N -0.343 120.797 121.223 -0.138 0.000 2.209 1091 L HA -0.103 4.241 4.340 0.006 0.000 0.207 1091 L C 2.047 178.702 176.870 -0.359 0.000 1.094 1091 L CA 1.505 56.150 54.840 -0.325 0.000 0.790 1091 L CB -0.679 41.008 42.059 -0.621 0.000 0.932 1091 L HN 0.394 nan 8.230 nan 0.000 0.447 1092 C N -1.555 117.608 119.300 -0.228 0.000 3.038 1092 C HA 0.244 4.708 4.460 0.006 0.000 0.279 1092 C C 1.350 176.278 174.990 -0.104 0.000 1.276 1092 C CA -0.557 58.364 59.018 -0.162 0.000 1.697 1092 C CB -0.037 27.671 27.740 -0.054 0.000 2.032 1092 C HN 0.225 nan 8.230 nan 0.000 0.636 1093 R N 1.141 121.588 120.500 -0.088 0.000 2.480 1093 R HA 0.594 4.937 4.340 0.006 0.000 0.306 1093 R C -0.948 175.315 176.300 -0.061 0.000 0.958 1093 R CA -0.440 55.626 56.100 -0.058 0.000 0.861 1093 R CB 0.643 30.928 30.300 -0.025 0.000 1.171 1093 R HN 0.295 nan 8.270 nan 0.000 0.445 1094 L N 4.756 125.932 121.223 -0.079 0.000 2.426 1094 L HA 0.145 4.489 4.340 0.006 0.000 0.271 1094 L C 0.203 177.067 176.870 -0.009 0.000 1.169 1094 L CA -0.196 54.556 54.840 -0.147 0.000 0.836 1094 L CB 0.429 42.370 42.059 -0.196 0.000 1.112 1094 L HN 0.841 nan 8.230 nan 0.000 0.465 1095 H N 0.356 119.519 119.070 0.156 0.000 2.826 1095 H HA -0.141 4.419 4.556 0.006 0.000 0.306 1095 H C -0.256 175.286 175.328 0.357 0.000 1.235 1095 H CA 0.651 56.878 56.048 0.298 0.000 1.150 1095 H CB -1.178 28.662 29.762 0.129 0.000 1.409 1095 H HN 0.683 nan 8.280 nan 0.000 0.420 1096 A N 0.383 123.404 122.820 0.335 0.000 2.375 1096 A HA 0.744 5.068 4.320 0.006 0.000 0.291 1096 A C 0.637 178.303 177.584 0.137 0.000 1.160 1096 A CA 0.278 52.476 52.037 0.268 0.000 0.747 1096 A CB 1.835 20.897 19.000 0.104 0.000 1.170 1096 A HN 0.745 nan 8.150 nan 0.000 0.458 1097 G N -0.105 108.756 108.800 0.100 0.000 2.488 1097 G HA2 0.523 4.487 3.960 0.006 0.000 0.301 1097 G HA3 0.523 4.487 3.960 0.006 0.000 0.301 1097 G C 0.093 174.927 174.900 -0.110 0.000 1.339 1097 G CA 0.217 45.243 45.100 -0.122 0.000 0.803 1097 G HN 1.278 nan 8.290 nan 0.000 0.482 1098 G N -0.974 107.774 108.800 -0.086 0.000 3.605 1098 G HA2 0.398 4.362 3.960 0.006 0.000 0.277 1098 G HA3 0.398 4.362 3.960 0.006 0.000 0.277 1098 G C 0.446 175.361 174.900 0.025 0.000 1.093 1098 G CA -0.101 45.020 45.100 0.035 0.000 0.821 1098 G HN 0.419 nan 8.290 nan 0.000 0.532 1099 K N 0.271 120.541 120.400 -0.216 0.000 2.646 1099 K HA 0.292 4.616 4.320 0.006 0.000 0.206 1099 K C 0.131 176.640 176.600 -0.151 0.000 1.069 1099 K CA -0.427 55.764 56.287 -0.160 0.000 1.067 1099 K CB 0.335 32.687 32.500 -0.246 0.000 0.807 1099 K HN 0.135 nan 8.250 nan 0.000 0.482 1100 F N 0.671 120.675 119.950 0.090 0.000 2.797 1100 F HA 0.081 4.611 4.527 0.006 0.000 0.302 1100 F C 1.211 177.050 175.800 0.066 0.000 1.130 1100 F CA -0.320 57.729 58.000 0.081 0.000 1.387 1100 F CB 0.107 39.156 39.000 0.082 0.000 1.107 1100 F HN -0.038 nan 8.300 nan 0.000 0.577 1101 S N -0.579 115.239 115.700 0.198 0.000 2.840 1101 S HA 0.325 4.799 4.470 0.006 0.000 0.307 1101 S C 0.057 174.714 174.600 0.094 0.000 1.180 1101 S CA -0.567 57.711 58.200 0.130 0.000 0.846 1101 S CB 1.153 64.421 63.200 0.114 0.000 1.233 1101 S HN 0.128 nan 8.310 nan 0.000 0.548 1102 N N -0.654 118.082 118.700 0.059 0.000 2.275 1102 N HA 0.176 4.920 4.740 0.006 0.000 0.236 1102 N C 0.793 176.314 175.510 0.019 0.000 1.154 1102 N CA 0.207 53.276 53.050 0.033 0.000 0.866 1102 N CB 0.249 38.726 38.487 -0.017 0.000 1.093 1102 N HN 0.711 nan 8.380 nan 0.000 0.515 1103 K N 0.941 121.363 120.400 0.036 0.000 2.228 1103 K HA 0.064 4.387 4.320 0.006 0.000 0.202 1103 K C 1.483 178.076 176.600 -0.013 0.000 1.051 1103 K CA 1.272 57.566 56.287 0.011 0.000 0.960 1103 K CB -0.920 31.593 32.500 0.022 0.000 0.743 1103 K HN 0.556 nan 8.250 nan 0.000 0.458 1104 N N -1.988 116.720 118.700 0.012 0.000 2.414 1104 N HA 0.182 4.926 4.740 0.006 0.000 0.177 1104 N C -0.804 174.518 175.510 -0.314 0.000 1.062 1104 N CA 0.006 52.983 53.050 -0.123 0.000 0.890 1104 N CB 0.605 39.068 38.487 -0.039 0.000 1.070 1104 N HN 0.425 nan 8.380 nan 0.000 0.454 1105 Y N -0.141 120.160 120.300 0.001 0.000 2.441 1105 Y HA 0.230 4.784 4.550 0.006 0.000 0.334 1105 Y C 0.549 176.407 175.900 -0.069 0.000 1.061 1105 Y CA -1.047 57.049 58.100 -0.006 0.000 1.032 1105 Y CB 1.702 40.170 38.460 0.014 0.000 1.266 1105 Y HN -0.279 nan 8.280 nan 0.000 0.441 1106 Q N 1.781 121.573 119.800 -0.013 0.000 1.994 1106 Q HA 0.152 4.496 4.340 0.006 0.000 0.198 1106 Q C -0.772 175.039 176.000 -0.315 0.000 0.976 1106 Q CA 1.742 57.373 55.803 -0.287 0.000 0.828 1106 Q CB 0.180 28.599 28.738 -0.531 0.000 0.894 1106 Q HN 0.514 nan 8.270 nan 0.000 0.432 1107 F N 0.850 120.848 119.950 0.079 0.000 2.403 1107 F HA 0.499 5.030 4.527 0.006 0.000 0.355 1107 F C -0.490 175.342 175.800 0.052 0.000 1.119 1107 F CA -0.956 57.077 58.000 0.054 0.000 1.007 1107 F CB 1.552 40.575 39.000 0.038 0.000 1.194 1107 F HN -0.002 nan 8.300 nan 0.000 0.443 1108 S N 0.174 115.988 115.700 0.190 0.000 2.548 1108 S HA 0.667 5.140 4.470 0.006 0.000 0.286 1108 S C 0.690 175.309 174.600 0.032 0.000 1.098 1108 S CA -0.345 57.873 58.200 0.030 0.000 0.930 1108 S CB 1.749 64.836 63.200 -0.189 0.000 1.070 1108 S HN 0.679 nan 8.310 nan 0.000 0.480 1109 G N 1.041 109.833 108.800 -0.013 0.000 2.448 1109 G HA2 0.330 4.293 3.960 0.006 0.000 0.218 1109 G HA3 0.330 4.293 3.960 0.006 0.000 0.218 1109 G C 0.687 175.551 174.900 -0.059 0.000 1.135 1109 G CA 0.181 45.284 45.100 0.005 0.000 0.784 1109 G HN 1.116 nan 8.290 nan 0.000 0.543 1110 G N -0.317 108.397 108.800 -0.143 0.000 2.444 1110 G HA2 0.478 4.442 3.960 0.006 0.000 0.268 1110 G HA3 0.478 4.442 3.960 0.006 0.000 0.268 1110 G C 0.300 175.100 174.900 -0.168 0.000 1.203 1110 G CA 0.154 45.141 45.100 -0.189 0.000 0.835 1110 G HN 0.610 nan 8.290 nan 0.000 0.543 1111 L N -1.859 119.252 121.223 -0.186 0.000 4.379 1111 L HA 0.277 4.620 4.340 0.006 0.000 0.437 1111 L C 0.908 177.799 176.870 0.035 0.000 0.984 1111 L CA 0.063 54.837 54.840 -0.110 0.000 1.693 1111 L CB -1.013 41.044 42.059 -0.003 0.000 1.966 1111 L HN 0.638 nan 8.230 nan 0.000 0.629 1112 H N 1.486 120.601 119.070 0.076 0.000 2.525 1112 H HA 0.479 5.039 4.556 0.006 0.000 0.275 1112 H C 1.425 176.897 175.328 0.240 0.000 0.984 1112 H CA 0.422 56.620 56.048 0.250 0.000 1.264 1112 H CB 0.384 30.258 29.762 0.186 0.000 1.432 1112 H HN 0.520 nan 8.280 nan 0.000 0.549 1113 G N 0.855 109.666 108.800 0.018 0.000 2.221 1113 G HA2 -0.264 3.700 3.960 0.006 0.000 0.265 1113 G HA3 -0.264 3.700 3.960 0.006 0.000 0.265 1113 G C 0.555 175.471 174.900 0.026 0.000 1.041 1113 G CA 0.637 45.720 45.100 -0.027 0.000 0.807 1113 G HN 0.353 nan 8.290 nan 0.000 0.502 1114 V N -0.833 119.085 119.914 0.007 0.000 3.251 1114 V HA 0.279 4.403 4.120 0.006 0.000 0.239 1114 V C 2.889 178.951 176.094 -0.054 0.000 1.332 1114 V CA 1.706 63.971 62.300 -0.058 0.000 1.224 1114 V CB -0.455 31.354 31.823 -0.023 0.000 1.004 1114 V HN 0.697 nan 8.190 nan 0.000 0.464 1115 G N 1.170 109.959 108.800 -0.018 0.000 2.839 1115 G HA2 -0.378 3.585 3.960 0.006 0.000 0.221 1115 G HA3 -0.378 3.585 3.960 0.006 0.000 0.221 1115 G C 1.472 176.314 174.900 -0.096 0.000 1.271 1115 G CA 1.867 46.944 45.100 -0.039 0.000 0.789 1115 G HN 0.407 nan 8.290 nan 0.000 0.659 1116 I N 1.822 122.322 120.570 -0.116 0.000 2.335 1116 I HA -0.174 4.000 4.170 0.006 0.000 0.251 1116 I C 2.990 178.997 176.117 -0.184 0.000 1.129 1116 I CA 2.041 63.249 61.300 -0.153 0.000 1.402 1116 I CB -0.246 37.681 38.000 -0.122 0.000 1.069 1116 I HN 0.301 nan 8.210 nan 0.000 0.424 1117 S N -1.240 114.355 115.700 -0.175 0.000 2.447 1117 S HA -0.078 4.396 4.470 0.006 0.000 0.233 1117 S C 1.960 176.424 174.600 -0.227 0.000 1.006 1117 S CA 1.082 59.154 58.200 -0.213 0.000 0.957 1117 S CB -0.910 62.172 63.200 -0.196 0.000 0.773 1117 S HN 0.298 nan 8.310 nan 0.000 0.507 1118 V N 1.536 121.330 119.914 -0.200 0.000 2.488 1118 V HA -0.067 4.057 4.120 0.006 0.000 0.246 1118 V C 2.527 178.523 176.094 -0.165 0.000 1.046 1118 V CA 1.111 63.292 62.300 -0.199 0.000 1.053 1118 V CB -0.561 31.200 31.823 -0.104 0.000 0.679 1118 V HN 0.412 nan 8.190 nan 0.000 0.458 1119 V N 0.845 120.648 119.914 -0.184 0.000 2.343 1119 V HA -0.274 3.850 4.120 0.006 0.000 0.247 1119 V C 2.405 178.404 176.094 -0.159 0.000 1.051 1119 V CA 2.442 64.591 62.300 -0.253 0.000 1.036 1119 V CB -0.903 30.633 31.823 -0.478 0.000 0.654 1119 V HN 0.632 nan 8.190 nan 0.000 0.451 1120 N N 0.794 119.388 118.700 -0.176 0.000 2.058 1120 N HA -0.150 4.594 4.740 0.006 0.000 0.191 1120 N C 1.783 177.245 175.510 -0.080 0.000 1.037 1120 N CA 1.949 54.914 53.050 -0.141 0.000 0.848 1120 N CB -0.444 37.855 38.487 -0.313 0.000 1.021 1120 N HN 0.399 nan 8.380 nan 0.000 0.422 1121 A N -0.295 122.438 122.820 -0.145 0.000 1.940 1121 A HA -0.057 4.267 4.320 0.006 0.000 0.219 1121 A C 1.471 178.966 177.584 -0.148 0.000 1.176 1121 A CA 1.054 53.000 52.037 -0.152 0.000 0.631 1121 A CB -0.398 18.451 19.000 -0.251 0.000 0.814 1121 A HN 0.304 nan 8.150 nan 0.000 0.446 1122 L N 0.038 121.177 121.223 -0.139 0.000 2.685 1122 L HA 0.295 4.639 4.340 0.006 0.000 0.233 1122 L C 0.158 177.208 176.870 0.299 0.000 1.173 1122 L CA 0.319 55.100 54.840 -0.099 0.000 0.961 1122 L CB -0.307 41.660 42.059 -0.153 0.000 1.217 1122 L HN 0.074 nan 8.230 nan 0.000 0.478 1123 S N -1.080 114.786 115.700 0.276 0.000 2.482 1123 S HA 0.327 4.801 4.470 0.006 0.000 0.303 1123 S C 1.124 175.927 174.600 0.338 0.000 1.091 1123 S CA -0.738 57.695 58.200 0.388 0.000 1.057 1123 S CB 2.081 65.542 63.200 0.434 0.000 1.031 1123 S HN 0.134 nan 8.310 nan 0.000 0.485 1124 K N 1.160 121.766 120.400 0.343 0.000 2.209 1124 K HA 0.018 4.341 4.320 0.006 0.000 0.204 1124 K C 0.902 177.609 176.600 0.179 0.000 1.048 1124 K CA 0.985 57.409 56.287 0.228 0.000 0.940 1124 K CB 0.156 32.764 32.500 0.179 0.000 0.729 1124 K HN 0.405 nan 8.250 nan 0.000 0.451 1125 R N -0.097 120.570 120.500 0.279 0.000 2.629 1125 R HA 0.292 4.636 4.340 0.006 0.000 0.266 1125 R C -2.105 174.494 176.300 0.498 0.000 1.051 1125 R CA -0.464 55.779 56.100 0.239 0.000 0.895 1125 R CB 1.964 32.190 30.300 -0.123 0.000 1.246 1125 R HN -0.174 nan 8.270 nan 0.000 0.459 1126 V N 2.945 123.124 119.914 0.442 0.000 2.668 1126 V HA 0.390 4.514 4.120 0.006 0.000 0.304 1126 V C -0.978 175.393 176.094 0.462 0.000 1.071 1126 V CA -0.791 61.814 62.300 0.509 0.000 0.894 1126 V CB 2.004 34.069 31.823 0.403 0.000 1.008 1126 V HN 0.766 nan 8.190 nan 0.000 0.425 1127 E N 3.310 123.779 120.200 0.449 0.000 2.187 1127 E HA 0.701 5.055 4.350 0.006 0.000 0.268 1127 E C -1.430 175.359 176.600 0.316 0.000 0.896 1127 E CA -0.679 55.922 56.400 0.336 0.000 0.766 1127 E CB 2.886 32.774 29.700 0.314 0.000 1.142 1127 E HN 0.408 nan 8.360 nan 0.000 0.408 1128 V N 3.050 123.127 119.914 0.270 0.000 2.540 1128 V HA 0.373 4.497 4.120 0.006 0.000 0.302 1128 V C -0.656 175.551 176.094 0.189 0.000 1.035 1128 V CA -0.917 61.524 62.300 0.235 0.000 0.873 1128 V CB 1.858 33.833 31.823 0.254 0.000 0.992 1128 V HN 0.610 nan 8.190 nan 0.000 0.428 1129 N N 2.166 120.968 118.700 0.169 0.000 2.346 1129 N HA 0.728 5.472 4.740 0.006 0.000 0.289 1129 N C -1.235 174.365 175.510 0.149 0.000 1.027 1129 N CA -0.247 52.895 53.050 0.153 0.000 0.864 1129 N CB 2.266 40.832 38.487 0.131 0.000 1.370 1129 N HN 0.437 nan 8.380 nan 0.000 0.481 1130 V N 2.393 122.417 119.914 0.184 0.000 2.604 1130 V HA 0.541 4.665 4.120 0.006 0.000 0.305 1130 V C -0.241 175.994 176.094 0.235 0.000 1.043 1130 V CA -0.751 61.661 62.300 0.186 0.000 0.888 1130 V CB 1.907 33.827 31.823 0.162 0.000 0.995 1130 V HN 0.516 nan 8.190 nan 0.000 0.429 1131 R N 3.932 124.530 120.500 0.164 0.000 2.288 1131 R HA 0.783 5.127 4.340 0.006 0.000 0.326 1131 R C -0.658 175.729 176.300 0.145 0.000 0.959 1131 R CA -0.541 55.642 56.100 0.138 0.000 0.834 1131 R CB 1.534 31.880 30.300 0.078 0.000 1.157 1131 R HN 0.652 nan 8.270 nan 0.000 0.470 1132 R N 1.360 121.985 120.500 0.208 0.000 2.594 1132 R HA 0.159 4.503 4.340 0.006 0.000 0.265 1132 R C -1.136 175.277 176.300 0.188 0.000 1.070 1132 R CA -0.861 55.340 56.100 0.168 0.000 0.909 1132 R CB 1.857 32.238 30.300 0.134 0.000 1.243 1132 R HN 0.640 nan 8.270 nan 0.000 0.455 1133 D N 0.806 121.269 120.400 0.104 0.000 2.945 1133 D HA -0.180 4.464 4.640 0.006 0.000 0.225 1133 D C 0.669 177.003 176.300 0.055 0.000 1.158 1133 D CA 1.735 55.785 54.000 0.084 0.000 0.805 1133 D CB -1.006 39.867 40.800 0.123 0.000 1.098 1133 D HN 1.088 nan 8.370 nan 0.000 0.426 1134 G N -0.209 108.615 108.800 0.039 0.000 2.153 1134 G HA2 -0.340 3.624 3.960 0.006 0.000 0.252 1134 G HA3 -0.340 3.624 3.960 0.006 0.000 0.252 1134 G C 0.113 174.998 174.900 -0.025 0.000 0.994 1134 G CA 0.895 46.000 45.100 0.009 0.000 0.698 1134 G HN 0.519 nan 8.290 nan 0.000 0.521 1135 Q N -1.218 118.559 119.800 -0.040 0.000 2.433 1135 Q HA 0.674 5.018 4.340 0.006 0.000 0.279 1135 Q C -0.766 175.080 176.000 -0.257 0.000 1.105 1135 Q CA -1.002 54.682 55.803 -0.199 0.000 0.815 1135 Q CB 3.095 31.623 28.738 -0.350 0.000 1.403 1135 Q HN 0.190 nan 8.270 nan 0.000 0.435 1136 V N 1.816 121.523 119.914 -0.344 0.000 2.448 1136 V HA 0.441 4.564 4.120 0.006 0.000 0.295 1136 V C -1.275 174.610 176.094 -0.348 0.000 1.025 1136 V CA -0.704 61.473 62.300 -0.205 0.000 0.859 1136 V CB 0.661 32.437 31.823 -0.079 0.000 0.988 1136 V HN 0.604 nan 8.190 nan 0.000 0.431 1137 Y N 2.928 123.247 120.300 0.031 0.000 2.446 1137 Y HA 0.604 5.157 4.550 0.006 0.000 0.338 1137 Y C 0.237 176.162 175.900 0.042 0.000 1.055 1137 Y CA -0.626 57.494 58.100 0.032 0.000 1.101 1137 Y CB 1.887 40.368 38.460 0.035 0.000 1.221 1137 Y HN 0.719 nan 8.280 nan 0.000 0.460 1138 N N 2.028 120.838 118.700 0.183 0.000 2.229 1138 N HA 0.730 5.474 4.740 0.006 0.000 0.298 1138 N C -1.997 173.566 175.510 0.087 0.000 1.114 1138 N CA -0.563 52.559 53.050 0.121 0.000 0.776 1138 N CB 1.853 40.384 38.487 0.073 0.000 1.501 1138 N HN 0.741 nan 8.380 nan 0.000 0.474 1139 I N 1.291 121.898 120.570 0.063 0.000 2.787 1139 I HA 0.725 4.899 4.170 0.006 0.000 0.294 1139 I C -1.782 174.278 176.117 -0.096 0.000 1.365 1139 I CA -0.512 60.761 61.300 -0.045 0.000 1.029 1139 I CB 1.709 39.706 38.000 -0.006 0.000 1.313 1139 I HN 0.770 nan 8.210 nan 0.000 0.431 1140 A N 5.543 128.159 122.820 -0.339 0.000 2.515 1140 A HA 0.937 5.260 4.320 0.006 0.000 0.296 1140 A C -1.918 175.285 177.584 -0.635 0.000 1.094 1140 A CA -0.355 51.525 52.037 -0.261 0.000 0.718 1140 A CB 1.368 20.318 19.000 -0.083 0.000 1.307 1140 A HN 0.524 nan 8.150 nan 0.000 0.408 1141 F N -0.404 119.585 119.950 0.066 0.000 2.629 1141 F HA 0.679 5.210 4.527 0.006 0.000 0.316 1141 F C 0.031 175.866 175.800 0.057 0.000 1.081 1141 F CA -0.390 57.644 58.000 0.056 0.000 0.954 1141 F CB 2.307 41.345 39.000 0.063 0.000 1.337 1141 F HN 0.572 nan 8.300 nan 0.000 0.474 1142 E N 0.115 120.455 120.200 0.234 0.000 2.291 1142 E HA 0.307 4.661 4.350 0.006 0.000 0.276 1142 E C -1.126 175.565 176.600 0.152 0.000 0.896 1142 E CA -0.918 55.572 56.400 0.150 0.000 0.774 1142 E CB 1.672 31.408 29.700 0.060 0.000 1.227 1142 E HN 0.743 nan 8.360 nan 0.000 0.413 1143 N N 1.752 120.549 118.700 0.161 0.000 2.725 1143 N HA -0.299 4.445 4.740 0.006 0.000 0.249 1143 N C 0.732 176.318 175.510 0.127 0.000 1.103 1143 N CA 0.499 53.642 53.050 0.155 0.000 0.707 1143 N CB -0.774 37.788 38.487 0.125 0.000 1.043 1143 N HN 0.945 nan 8.380 nan 0.000 0.553 1144 G N -1.154 107.722 108.800 0.127 0.000 2.225 1144 G HA2 -0.340 3.624 3.960 0.006 0.000 0.254 1144 G HA3 -0.340 3.624 3.960 0.006 0.000 0.254 1144 G C -0.236 174.744 174.900 0.134 0.000 0.988 1144 G CA 0.588 45.727 45.100 0.066 0.000 0.625 1144 G HN 0.515 nan 8.290 nan 0.000 0.527 1145 E N 0.716 121.029 120.200 0.188 0.000 2.191 1145 E HA 0.380 4.734 4.350 0.006 0.000 0.278 1145 E C 0.073 176.841 176.600 0.280 0.000 0.972 1145 E CA -0.787 55.737 56.400 0.208 0.000 0.804 1145 E CB 1.679 31.447 29.700 0.114 0.000 1.110 1145 E HN 0.298 nan 8.360 nan 0.000 0.394 1146 K N 1.821 122.388 120.400 0.279 0.000 2.451 1146 K HA 0.035 4.359 4.320 0.006 0.000 0.280 1146 K C 0.625 177.168 176.600 -0.094 0.000 1.020 1146 K CA 0.058 56.309 56.287 -0.061 0.000 1.008 1146 K CB 0.486 32.929 32.500 -0.095 0.000 0.917 1146 K HN 0.417 nan 8.250 nan 0.000 0.478 1147 V N 0.363 120.169 119.914 -0.180 0.000 3.432 1147 V HA 0.225 4.349 4.120 0.006 0.000 0.298 1147 V C -0.575 175.440 176.094 -0.131 0.000 1.464 1147 V CA -0.221 62.016 62.300 -0.106 0.000 1.046 1147 V CB 0.465 32.248 31.823 -0.067 0.000 0.887 1147 V HN 0.701 nan 8.190 nan 0.000 0.441 1148 Q N 1.353 121.028 119.800 -0.209 0.000 2.309 1148 Q HA 0.414 4.758 4.340 0.006 0.000 0.254 1148 Q C -1.384 174.505 176.000 -0.185 0.000 0.938 1148 Q CA -0.226 55.479 55.803 -0.163 0.000 0.789 1148 Q CB 1.468 30.122 28.738 -0.139 0.000 1.313 1148 Q HN 0.409 nan 8.270 nan 0.000 0.438 1149 D N 1.871 122.206 120.400 -0.108 0.000 2.400 1149 D HA 0.068 4.712 4.640 0.006 0.000 0.238 1149 D C -0.154 176.121 176.300 -0.042 0.000 1.157 1149 D CA -0.178 53.778 54.000 -0.074 0.000 0.889 1149 D CB 0.608 41.389 40.800 -0.032 0.000 1.199 1149 D HN 0.610 nan 8.370 nan 0.000 0.436 1150 L N 2.081 123.298 121.223 -0.010 0.000 2.578 1150 L HA 0.004 4.348 4.340 0.006 0.000 0.279 1150 L C 0.063 176.978 176.870 0.075 0.000 1.227 1150 L CA 0.934 55.801 54.840 0.046 0.000 0.900 1150 L CB -0.199 41.894 42.059 0.056 0.000 1.144 1150 L HN 0.409 nan 8.230 nan 0.000 0.496 1151 Q N 3.159 123.023 119.800 0.107 0.000 2.418 1151 Q HA 0.592 4.936 4.340 0.006 0.000 0.282 1151 Q C -1.654 174.399 176.000 0.089 0.000 1.044 1151 Q CA -1.161 54.695 55.803 0.087 0.000 0.813 1151 Q CB 1.577 30.334 28.738 0.033 0.000 1.428 1151 Q HN 0.346 nan 8.270 nan 0.000 0.402 1152 V N 2.511 122.436 119.914 0.019 0.000 2.488 1152 V HA 0.143 4.267 4.120 0.006 0.000 0.277 1152 V C 0.759 176.795 176.094 -0.096 0.000 1.046 1152 V CA -0.093 62.127 62.300 -0.133 0.000 0.986 1152 V CB 1.144 32.870 31.823 -0.162 0.000 0.989 1152 V HN 0.751 nan 8.190 nan 0.000 0.475 1153 V N 1.850 121.696 119.914 -0.114 0.000 3.319 1153 V HA 0.841 4.965 4.120 0.006 0.000 0.317 1153 V C 0.632 176.683 176.094 -0.071 0.000 1.411 1153 V CA 0.563 62.825 62.300 -0.063 0.000 1.112 1153 V CB -0.355 31.452 31.823 -0.026 0.000 1.031 1153 V HN 1.138 nan 8.190 nan 0.000 0.448 1154 G N 0.359 109.092 108.800 -0.112 0.000 2.352 1154 G HA2 0.421 4.385 3.960 0.006 0.000 0.283 1154 G HA3 0.421 4.385 3.960 0.006 0.000 0.283 1154 G C -0.604 174.229 174.900 -0.111 0.000 1.308 1154 G CA 0.058 45.105 45.100 -0.089 0.000 0.892 1154 G HN 0.846 nan 8.290 nan 0.000 0.504 1155 T N -2.500 112.010 114.554 -0.073 0.000 2.924 1155 T HA 0.829 5.183 4.350 0.006 0.000 0.291 1155 T C 0.294 174.969 174.700 -0.042 0.000 1.045 1155 T CA 0.037 62.099 62.100 -0.064 0.000 1.015 1155 T CB 1.275 70.116 68.868 -0.045 0.000 1.103 1155 T HN 2.305 nan 8.240 nan 0.000 0.496 1156 C N -0.714 118.567 119.300 -0.031 0.000 3.336 1156 C HA 0.970 5.434 4.460 0.006 0.000 0.339 1156 C C 0.842 175.828 174.990 -0.008 0.000 1.468 1156 C CA -0.713 58.296 59.018 -0.015 0.000 1.287 1156 C CB 0.722 28.458 27.740 -0.007 0.000 1.682 1156 C HN 1.321 nan 8.230 nan 0.000 0.451 1157 G N 0.858 109.657 108.800 -0.001 0.000 2.432 1157 G HA2 0.366 4.330 3.960 0.006 0.000 0.239 1157 G HA3 0.366 4.330 3.960 0.006 0.000 0.239 1157 G C 0.549 175.453 174.900 0.006 0.000 1.291 1157 G CA 0.254 45.355 45.100 0.001 0.000 0.863 1157 G HN 1.149 nan 8.290 nan 0.000 0.560 1158 K N 1.721 122.125 120.400 0.006 0.000 2.063 1158 K HA -0.150 4.174 4.320 0.006 0.000 0.208 1158 K C 2.729 179.337 176.600 0.014 0.000 1.048 1158 K CA 2.295 58.588 56.287 0.011 0.000 0.928 1158 K CB -0.215 32.291 32.500 0.008 0.000 0.713 1158 K HN 0.507 nan 8.250 nan 0.000 0.442 1159 R N 0.843 121.350 120.500 0.011 0.000 2.323 1159 R HA 0.087 4.431 4.340 0.006 0.000 0.198 1159 R C 0.700 177.010 176.300 0.016 0.000 0.988 1159 R CA 0.908 57.016 56.100 0.012 0.000 1.041 1159 R CB -1.418 28.888 30.300 0.010 0.000 0.926 1159 R HN 0.344 nan 8.270 nan 0.000 0.476 1160 N N 1.786 120.496 118.700 0.017 0.000 2.469 1160 N HA 0.077 4.821 4.740 0.006 0.000 0.239 1160 N C -0.896 174.632 175.510 0.030 0.000 1.053 1160 N CA 0.573 53.636 53.050 0.021 0.000 0.937 1160 N CB 0.934 39.431 38.487 0.017 0.000 1.163 1160 N HN 0.483 nan 8.380 nan 0.000 0.509 1161 T N 0.170 114.744 114.554 0.033 0.000 2.916 1161 T HA 0.937 5.291 4.350 0.006 0.000 0.292 1161 T C 0.209 174.936 174.700 0.045 0.000 1.055 1161 T CA -0.616 61.508 62.100 0.041 0.000 1.009 1161 T CB 1.896 70.780 68.868 0.027 0.000 1.118 1161 T HN 0.520 nan 8.240 nan 0.000 0.497 1162 G N 0.237 109.070 108.800 0.055 0.000 2.337 1162 G HA2 0.479 4.443 3.960 0.006 0.000 0.298 1162 G HA3 0.479 4.443 3.960 0.006 0.000 0.298 1162 G C -1.299 173.644 174.900 0.071 0.000 1.335 1162 G CA -0.669 44.466 45.100 0.059 0.000 0.875 1162 G HN 0.901 nan 8.290 nan 0.000 0.579 1163 T N -0.149 114.449 114.554 0.073 0.000 2.900 1163 T HA 0.747 5.101 4.350 0.006 0.000 0.295 1163 T C -0.580 174.172 174.700 0.086 0.000 1.044 1163 T CA -0.284 61.866 62.100 0.084 0.000 0.995 1163 T CB 1.708 70.624 68.868 0.081 0.000 1.072 1163 T HN 1.130 nan 8.240 nan 0.000 0.473 1164 S N 1.654 117.416 115.700 0.103 0.000 2.594 1164 S HA 0.711 5.185 4.470 0.006 0.000 0.296 1164 S C -1.243 173.444 174.600 0.145 0.000 1.124 1164 S CA -0.524 57.740 58.200 0.108 0.000 1.011 1164 S CB 0.719 63.981 63.200 0.103 0.000 1.016 1164 S HN 0.493 nan 8.310 nan 0.000 0.485 1165 V N 5.574 125.582 119.914 0.157 0.000 2.531 1165 V HA 0.493 4.617 4.120 0.006 0.000 0.301 1165 V C -0.589 175.680 176.094 0.291 0.000 1.034 1165 V CA -0.677 61.757 62.300 0.223 0.000 0.865 1165 V CB 1.520 33.456 31.823 0.189 0.000 0.995 1165 V HN 0.996 nan 8.190 nan 0.000 0.424 1166 H N 5.524 124.713 119.070 0.199 0.000 2.727 1166 H HA 0.672 5.232 4.556 0.006 0.000 0.330 1166 H C -1.440 173.963 175.328 0.126 0.000 0.986 1166 H CA -0.770 55.300 56.048 0.036 0.000 1.251 1166 H CB 1.289 31.015 29.762 -0.059 0.000 1.493 1166 H HN 0.636 nan 8.280 nan 0.000 0.515 1167 F N 2.699 122.692 119.950 0.073 0.000 2.563 1167 F HA 0.498 5.029 4.527 0.006 0.000 0.316 1167 F C -1.698 174.109 175.800 0.011 0.000 1.076 1167 F CA -1.464 56.624 58.000 0.146 0.000 0.921 1167 F CB 1.158 40.277 39.000 0.199 0.000 1.209 1167 F HN 0.405 nan 8.300 nan 0.000 0.462 1168 W N 3.481 124.898 121.300 0.195 0.000 2.299 1168 W HA 0.350 5.014 4.660 0.007 0.000 0.319 1168 W C -2.645 174.027 176.519 0.255 0.000 1.008 1168 W CA -1.837 55.582 57.345 0.123 0.000 1.384 1168 W CB 1.700 31.199 29.460 0.066 0.000 1.220 1168 W HN 0.286 nan 8.180 nan 0.000 0.402 1169 P HA -0.115 nan 4.420 nan 0.000 0.266 1169 P C -0.061 177.488 177.300 0.415 0.000 1.195 1169 P CA 0.591 63.947 63.100 0.425 0.000 0.768 1169 P CB 0.825 32.611 31.700 0.143 0.000 0.838 1170 D N 3.057 123.775 120.400 0.531 0.000 2.365 1170 D HA -0.030 4.614 4.640 0.006 0.000 0.237 1170 D C 1.277 177.840 176.300 0.438 0.000 1.190 1170 D CA -0.212 54.047 54.000 0.431 0.000 0.867 1170 D CB 0.558 41.651 40.800 0.488 0.000 1.050 1170 D HN 0.370 nan 8.370 nan 0.000 0.491 1171 E N 2.202 122.570 120.200 0.281 0.000 2.273 1171 E HA -0.198 4.155 4.350 0.006 0.000 0.198 1171 E C 0.991 177.674 176.600 0.139 0.000 1.002 1171 E CA 0.916 57.466 56.400 0.250 0.000 0.828 1171 E CB -0.659 29.125 29.700 0.140 0.000 0.747 1171 E HN 0.354 nan 8.360 nan 0.000 0.491 1172 T N 0.504 115.028 114.554 -0.051 0.000 2.929 1172 T HA -0.075 4.279 4.350 0.006 0.000 0.271 1172 T C 1.015 175.471 174.700 -0.407 0.000 1.085 1172 T CA 1.216 63.137 62.100 -0.298 0.000 1.125 1172 T CB -0.333 68.209 68.868 -0.545 0.000 0.874 1172 T HN 0.272 nan 8.240 nan 0.000 0.494 1173 F N -0.692 119.205 119.950 -0.088 0.000 2.749 1173 F HA 0.386 4.917 4.527 0.007 0.000 0.300 1173 F C 0.250 175.652 175.800 -0.663 0.000 1.103 1173 F CA -0.620 57.136 58.000 -0.406 0.000 1.342 1173 F CB 0.228 38.858 39.000 -0.615 0.000 1.098 1173 F HN 0.046 nan 8.300 nan 0.000 0.586 1174 F N -0.196 119.842 119.950 0.146 0.000 2.556 1174 F HA 0.320 4.851 4.527 0.006 0.000 0.327 1174 F C 0.988 176.811 175.800 0.039 0.000 1.059 1174 F CA -1.197 56.852 58.000 0.082 0.000 0.953 1174 F CB 0.699 39.731 39.000 0.053 0.000 1.227 1174 F HN -0.315 nan 8.300 nan 0.000 0.478 1175 D N -0.201 120.326 120.400 0.211 0.000 2.144 1175 D HA -0.067 4.577 4.640 0.006 0.000 0.200 1175 D C 0.506 176.871 176.300 0.109 0.000 0.978 1175 D CA 1.338 55.409 54.000 0.117 0.000 0.833 1175 D CB 0.137 40.991 40.800 0.089 0.000 0.961 1175 D HN 0.235 nan 8.370 nan 0.000 0.470 1176 S N -0.943 114.833 115.700 0.127 0.000 2.547 1176 S HA 0.362 4.836 4.470 0.006 0.000 0.281 1176 S C -2.393 172.230 174.600 0.038 0.000 1.118 1176 S CA -1.378 56.864 58.200 0.070 0.000 0.947 1176 S CB 2.215 65.434 63.200 0.033 0.000 1.053 1176 S HN -0.215 nan 8.310 nan 0.000 0.482 1177 P HA 0.093 nan 4.420 nan 0.000 0.251 1177 P C 0.183 177.401 177.300 -0.137 0.000 1.223 1177 P CA -0.111 62.960 63.100 -0.049 0.000 0.796 1177 P CB 0.139 31.867 31.700 0.047 0.000 1.068 1178 R N 0.265 120.725 120.500 -0.067 0.000 2.438 1178 R HA 0.248 4.592 4.340 0.006 0.000 0.287 1178 R C -0.480 175.769 176.300 -0.086 0.000 1.077 1178 R CA -0.453 55.637 56.100 -0.016 0.000 1.034 1178 R CB 0.036 30.358 30.300 0.036 0.000 0.993 1178 R HN -0.119 nan 8.270 nan 0.000 0.459 1179 F N 1.636 121.571 119.950 -0.026 0.000 2.443 1179 F HA 0.058 4.589 4.527 0.006 0.000 0.353 1179 F C 1.074 176.872 175.800 -0.003 0.000 1.101 1179 F CA 0.469 58.452 58.000 -0.028 0.000 1.226 1179 F CB 1.514 40.500 39.000 -0.023 0.000 1.140 1179 F HN 0.400 nan 8.300 nan 0.000 0.557 1180 S N 3.081 118.871 115.700 0.150 0.000 2.455 1180 S HA 0.172 4.645 4.470 0.006 0.000 0.278 1180 S C 0.954 175.614 174.600 0.101 0.000 1.216 1180 S CA -0.722 57.536 58.200 0.095 0.000 1.055 1180 S CB 0.509 63.738 63.200 0.047 0.000 0.939 1180 S HN 0.507 nan 8.310 nan 0.000 0.494 1181 V N 5.522 125.498 119.914 0.104 0.000 2.358 1181 V HA -0.137 3.987 4.120 0.006 0.000 0.246 1181 V C 2.652 178.758 176.094 0.021 0.000 1.047 1181 V CA 2.234 64.589 62.300 0.093 0.000 1.035 1181 V CB -1.053 30.872 31.823 0.170 0.000 0.658 1181 V HN 1.012 nan 8.190 nan 0.000 0.452 1182 S N 0.551 116.276 115.700 0.042 0.000 2.382 1182 S HA -0.240 4.234 4.470 0.006 0.000 0.228 1182 S C 2.048 176.654 174.600 0.009 0.000 1.027 1182 S CA 1.375 59.594 58.200 0.033 0.000 0.991 1182 S CB -0.503 62.715 63.200 0.030 0.000 0.823 1182 S HN 0.571 nan 8.310 nan 0.000 0.469 1183 R N 0.145 120.643 120.500 -0.004 0.000 2.092 1183 R HA 0.108 4.452 4.340 0.006 0.000 0.231 1183 R C 2.244 178.527 176.300 -0.028 0.000 1.119 1183 R CA 1.069 57.165 56.100 -0.006 0.000 0.970 1183 R CB -0.598 29.702 30.300 0.000 0.000 0.864 1183 R HN 0.296 nan 8.270 nan 0.000 0.440 1184 L N 0.845 122.005 121.223 -0.105 0.000 1.994 1184 L HA -0.175 4.169 4.340 0.006 0.000 0.208 1184 L C 2.558 179.198 176.870 -0.382 0.000 1.071 1184 L CA 2.354 57.034 54.840 -0.266 0.000 0.745 1184 L CB -1.088 40.705 42.059 -0.442 0.000 0.892 1184 L HN 0.331 nan 8.230 nan 0.000 0.431 1185 T N -4.296 110.039 114.554 -0.365 0.000 2.867 1185 T HA -0.261 4.093 4.350 0.006 0.000 0.268 1185 T C 1.938 176.434 174.700 -0.341 0.000 1.057 1185 T CA 1.476 63.396 62.100 -0.301 0.000 1.136 1185 T CB -0.722 68.168 68.868 0.037 0.000 0.874 1185 T HN 0.537 nan 8.240 nan 0.000 0.466 1186 H N 0.942 119.874 119.070 -0.230 0.000 2.321 1186 H HA 0.050 4.610 4.556 0.006 0.000 0.300 1186 H C 2.099 177.303 175.328 -0.206 0.000 1.087 1186 H CA 1.818 57.762 56.048 -0.173 0.000 1.319 1186 H CB -0.556 29.159 29.762 -0.078 0.000 1.379 1186 H HN 0.189 nan 8.280 nan 0.000 0.501 1187 V N 0.692 120.542 119.914 -0.107 0.000 2.343 1187 V HA -0.257 3.867 4.120 0.006 0.000 0.247 1187 V C 2.656 178.582 176.094 -0.280 0.000 1.051 1187 V CA 1.915 64.138 62.300 -0.130 0.000 1.036 1187 V CB -0.587 31.200 31.823 -0.060 0.000 0.654 1187 V HN 0.425 nan 8.190 nan 0.000 0.451 1188 L N -0.259 120.737 121.223 -0.377 0.000 2.056 1188 L HA -0.201 4.142 4.340 0.006 0.000 0.207 1188 L C 2.580 179.068 176.870 -0.638 0.000 1.078 1188 L CA 1.987 56.578 54.840 -0.415 0.000 0.749 1188 L CB -0.659 41.199 42.059 -0.336 0.000 0.901 1188 L HN 0.316 nan 8.230 nan 0.000 0.433 1189 K N 0.597 120.330 120.400 -1.112 0.000 2.063 1189 K HA -0.208 4.115 4.320 0.006 0.000 0.208 1189 K C 2.139 178.367 176.600 -0.620 0.000 1.048 1189 K CA 1.429 57.001 56.287 -1.192 0.000 0.928 1189 K CB -0.111 31.670 32.500 -1.198 0.000 0.713 1189 K HN 0.257 nan 8.250 nan 0.000 0.442 1190 A N 1.686 124.140 122.820 -0.609 0.000 1.940 1190 A HA -0.180 4.144 4.320 0.006 0.000 0.219 1190 A C 1.871 179.154 177.584 -0.503 0.000 1.176 1190 A CA 1.597 53.255 52.037 -0.632 0.000 0.631 1190 A CB -0.372 18.337 19.000 -0.486 0.000 0.814 1190 A HN 0.231 nan 8.150 nan 0.000 0.446 1191 K N 0.071 120.263 120.400 -0.345 0.000 2.063 1191 K HA -0.077 4.247 4.320 0.006 0.000 0.208 1191 K C 2.223 178.721 176.600 -0.170 0.000 1.048 1191 K CA 1.455 57.604 56.287 -0.229 0.000 0.928 1191 K CB -1.030 31.385 32.500 -0.141 0.000 0.713 1191 K HN 0.466 nan 8.250 nan 0.000 0.442 1192 A N 1.116 123.867 122.820 -0.115 0.000 1.933 1192 A HA -0.102 4.222 4.320 0.006 0.000 0.218 1192 A C 2.549 180.174 177.584 0.069 0.000 1.175 1192 A CA 1.506 53.561 52.037 0.030 0.000 0.628 1192 A CB -0.588 18.506 19.000 0.157 0.000 0.814 1192 A HN 0.065 nan 8.150 nan 0.000 0.444 1193 V N -0.006 119.843 119.914 -0.109 0.000 2.307 1193 V HA -0.205 3.919 4.120 0.006 0.000 0.245 1193 V C 2.425 178.352 176.094 -0.279 0.000 1.045 1193 V CA 1.862 63.989 62.300 -0.288 0.000 1.024 1193 V CB -0.656 30.704 31.823 -0.771 0.000 0.651 1193 V HN 0.572 nan 8.190 nan 0.000 0.449 1194 L N -1.015 120.000 121.223 -0.348 0.000 2.395 1194 L HA 0.003 4.347 4.340 0.006 0.000 0.218 1194 L C 1.213 177.982 176.870 -0.168 0.000 1.130 1194 L CA 0.475 55.138 54.840 -0.297 0.000 0.826 1194 L CB -0.042 41.765 42.059 -0.421 0.000 0.941 1194 L HN 0.405 nan 8.230 nan 0.000 0.451 1195 C N 2.394 121.623 119.300 -0.119 0.000 3.003 1195 C HA 0.382 4.846 4.460 0.006 0.000 0.241 1195 C C -2.171 172.799 174.990 -0.033 0.000 1.224 1195 C CA -2.212 56.768 59.018 -0.063 0.000 1.560 1195 C CB -0.193 27.519 27.740 -0.047 0.000 1.768 1195 C HN 0.024 nan 8.230 nan 0.000 0.440 1196 P HA 0.195 nan 4.420 nan 0.000 0.260 1196 P C 0.959 178.258 177.300 -0.001 0.000 1.172 1196 P CA 2.157 65.257 63.100 -0.001 0.000 0.760 1196 P CB 0.494 32.188 31.700 -0.011 0.000 0.773 1197 G N 1.854 110.658 108.800 0.005 0.000 2.317 1197 G HA2 -0.263 3.701 3.960 0.006 0.000 0.227 1197 G HA3 -0.263 3.701 3.960 0.006 0.000 0.227 1197 G C 0.098 174.992 174.900 -0.009 0.000 1.042 1197 G CA 0.035 45.132 45.100 -0.006 0.000 0.623 1197 G HN 0.703 nan 8.290 nan 0.000 0.509 1198 V N 1.969 121.881 119.914 -0.004 0.000 2.655 1198 V HA 0.515 4.639 4.120 0.006 0.000 0.300 1198 V C 0.574 176.669 176.094 0.002 0.000 1.044 1198 V CA 0.662 62.963 62.300 0.000 0.000 1.095 1198 V CB 1.486 33.312 31.823 0.004 0.000 0.952 1198 V HN 0.494 nan 8.190 nan 0.000 0.485 1199 E N 6.315 126.516 120.200 0.002 0.000 2.200 1199 E HA 0.433 4.787 4.350 0.006 0.000 0.283 1199 E C -1.002 175.622 176.600 0.039 0.000 1.015 1199 E CA -0.622 55.779 56.400 0.002 0.000 0.819 1199 E CB 0.939 30.628 29.700 -0.019 0.000 1.081 1199 E HN 0.607 nan 8.360 nan 0.000 0.397 1200 I N 4.287 124.913 120.570 0.093 0.000 2.433 1200 I HA 0.297 4.471 4.170 0.006 0.000 0.292 1200 I C 0.046 176.296 176.117 0.221 0.000 1.001 1200 I CA -0.579 60.827 61.300 0.176 0.000 1.119 1200 I CB 1.193 39.342 38.000 0.248 0.000 1.289 1200 I HN 0.632 nan 8.210 nan 0.000 0.438 1201 T N 2.677 117.334 114.554 0.172 0.000 2.906 1201 T HA 0.726 5.080 4.350 0.006 0.000 0.295 1201 T C -1.120 173.718 174.700 0.230 0.000 1.061 1201 T CA -0.687 61.469 62.100 0.094 0.000 1.000 1201 T CB 2.438 71.290 68.868 -0.026 0.000 1.103 1201 T HN 0.271 nan 8.240 nan 0.000 0.486 1202 F N 1.692 121.633 119.950 -0.015 0.000 2.612 1202 F HA 0.622 5.152 4.527 0.006 0.000 0.332 1202 F C -0.722 175.029 175.800 -0.083 0.000 1.167 1202 F CA -1.134 56.877 58.000 0.017 0.000 0.970 1202 F CB 1.716 40.844 39.000 0.214 0.000 1.234 1202 F HN 0.804 nan 8.300 nan 0.000 0.453 1203 K N 4.923 124.912 120.400 -0.685 0.000 2.293 1203 K HA 0.258 4.581 4.320 0.006 0.000 0.267 1203 K C -1.337 174.691 176.600 -0.954 0.000 1.010 1203 K CA -0.547 55.336 56.287 -0.674 0.000 0.875 1203 K CB 0.768 33.025 32.500 -0.406 0.000 1.106 1203 K HN 0.607 nan 8.250 nan 0.000 0.450 1204 D N 4.176 124.051 120.400 -0.875 0.000 2.373 1204 D HA 0.077 4.721 4.640 0.006 0.000 0.227 1204 D C -0.074 176.024 176.300 -0.338 0.000 1.091 1204 D CA -0.116 53.506 54.000 -0.630 0.000 0.840 1204 D CB 1.201 41.755 40.800 -0.409 0.000 1.060 1204 D HN 0.583 nan 8.370 nan 0.000 0.502 1205 E N 2.976 123.002 120.200 -0.289 0.000 2.479 1205 E HA 0.105 4.459 4.350 0.006 0.000 0.193 1205 E C 1.360 177.904 176.600 -0.094 0.000 1.049 1205 E CA 0.020 56.312 56.400 -0.180 0.000 0.870 1205 E CB 0.914 30.507 29.700 -0.179 0.000 0.944 1205 E HN 0.592 nan 8.360 nan 0.000 0.492 1206 I N 1.048 121.571 120.570 -0.079 0.000 2.628 1206 I HA -0.085 4.089 4.170 0.006 0.000 0.255 1206 I C 1.508 177.615 176.117 -0.016 0.000 1.119 1206 I CA 0.563 61.851 61.300 -0.021 0.000 1.448 1206 I CB 0.185 38.191 38.000 0.011 0.000 1.133 1206 I HN 0.033 nan 8.210 nan 0.000 0.438 1207 N N 1.006 119.689 118.700 -0.029 0.000 2.205 1207 N HA 0.065 4.808 4.740 0.006 0.000 0.201 1207 N C -0.576 174.911 175.510 -0.039 0.000 1.128 1207 N CA 0.110 53.151 53.050 -0.015 0.000 0.867 1207 N CB 0.286 38.782 38.487 0.014 0.000 0.996 1207 N HN 0.203 nan 8.380 nan 0.000 0.503 1208 N N 1.624 120.281 118.700 -0.073 0.000 2.681 1208 N HA -0.129 4.615 4.740 0.006 0.000 0.259 1208 N C -0.542 174.913 175.510 -0.092 0.000 1.066 1208 N CA 1.164 54.163 53.050 -0.085 0.000 0.717 1208 N CB -1.481 36.972 38.487 -0.056 0.000 0.885 1208 N HN 0.430 nan 8.380 nan 0.000 0.547 1209 T N -2.811 111.664 114.554 -0.133 0.000 2.883 1209 T HA 0.733 5.087 4.350 0.006 0.000 0.296 1209 T C -0.715 173.864 174.700 -0.203 0.000 1.117 1209 T CA -0.867 61.158 62.100 -0.125 0.000 1.006 1209 T CB 3.552 72.380 68.868 -0.067 0.000 1.191 1209 T HN 0.220 nan 8.240 nan 0.000 0.508 1210 E N 0.334 120.426 120.200 -0.180 0.000 2.311 1210 E HA 0.370 4.724 4.350 0.006 0.000 0.281 1210 E C -1.543 174.921 176.600 -0.226 0.000 0.905 1210 E CA -0.477 55.786 56.400 -0.228 0.000 0.778 1210 E CB 1.908 31.485 29.700 -0.206 0.000 1.240 1210 E HN 0.729 nan 8.360 nan 0.000 0.410 1211 Q N 2.186 121.811 119.800 -0.292 0.000 2.458 1211 Q HA 0.592 4.936 4.340 0.006 0.000 0.282 1211 Q C -0.989 174.591 176.000 -0.701 0.000 1.106 1211 Q CA -1.126 54.364 55.803 -0.522 0.000 0.814 1211 Q CB 2.767 31.108 28.738 -0.661 0.000 1.425 1211 Q HN 0.256 nan 8.270 nan 0.000 0.437 1212 R N 1.346 121.312 120.500 -0.890 0.000 2.584 1212 R HA 0.399 4.743 4.340 0.006 0.000 0.276 1212 R C -2.049 173.788 176.300 -0.771 0.000 1.046 1212 R CA -0.294 55.416 56.100 -0.650 0.000 0.906 1212 R CB 1.408 31.502 30.300 -0.344 0.000 1.215 1212 R HN 0.723 nan 8.270 nan 0.000 0.449 1213 W N 3.515 124.740 121.300 -0.125 0.000 2.785 1213 W HA 0.542 5.206 4.660 0.006 0.000 0.333 1213 W C -0.737 175.571 176.519 -0.351 0.000 1.062 1213 W CA -0.832 56.355 57.345 -0.263 0.000 1.233 1213 W CB 2.071 31.466 29.460 -0.108 0.000 1.413 1213 W HN 0.473 nan 8.180 nan 0.000 0.489 1214 C N 4.556 123.587 119.300 -0.448 0.000 2.924 1214 C HA 0.589 5.053 4.460 0.006 0.000 0.400 1214 C C -1.673 172.998 174.990 -0.531 0.000 1.032 1214 C CA -0.394 58.424 59.018 -0.333 0.000 1.236 1214 C CB -0.358 27.274 27.740 -0.180 0.000 1.660 1214 C HN 0.554 nan 8.230 nan 0.000 0.510 1215 Y N 4.852 125.162 120.300 0.016 0.000 2.391 1215 Y HA 0.423 4.977 4.550 0.006 0.000 0.341 1215 Y C 1.170 177.056 175.900 -0.023 0.000 0.965 1215 Y CA -0.560 57.537 58.100 -0.004 0.000 1.067 1215 Y CB 1.624 40.070 38.460 -0.023 0.000 1.199 1215 Y HN 0.545 nan 8.280 nan 0.000 0.450 1216 Q N 1.026 120.900 119.800 0.123 0.000 2.123 1216 Q HA -0.024 4.319 4.340 0.006 0.000 0.196 1216 Q C 0.252 176.279 176.000 0.045 0.000 0.958 1216 Q CA 1.135 56.972 55.803 0.056 0.000 0.841 1216 Q CB 0.241 28.999 28.738 0.033 0.000 0.915 1216 Q HN 0.783 nan 8.270 nan 0.000 0.455 1217 D N -1.038 119.396 120.400 0.057 0.000 2.166 1217 D HA 0.270 4.914 4.640 0.006 0.000 0.295 1217 D C 1.120 177.413 176.300 -0.013 0.000 1.145 1217 D CA 1.131 55.137 54.000 0.010 0.000 0.901 1217 D CB 0.190 40.995 40.800 0.007 0.000 0.957 1217 D HN 0.261 nan 8.370 nan 0.000 0.301 1218 G N -0.380 108.384 108.800 -0.060 0.000 1.775 1218 G HA2 -0.169 3.795 3.960 0.006 0.000 0.059 1218 G HA3 -0.169 3.795 3.960 0.006 0.000 0.059 1218 G C 1.020 175.821 174.900 -0.166 0.000 1.152 1218 G CA 0.151 45.158 45.100 -0.154 0.000 1.107 1218 G HN 0.308 nan 8.290 nan 0.000 0.323 1219 L N 1.058 122.198 121.223 -0.138 0.000 1.976 1219 L HA -0.247 4.097 4.340 0.006 0.000 0.223 1219 L C 2.689 179.544 176.870 -0.026 0.000 1.081 1219 L CA 2.956 57.751 54.840 -0.075 0.000 0.784 1219 L CB -0.677 41.327 42.059 -0.092 0.000 0.896 1219 L HN 0.636 nan 8.230 nan 0.000 0.438 1220 N N -0.148 118.513 118.700 -0.065 0.000 2.021 1220 N HA -0.252 4.491 4.740 0.006 0.000 0.198 1220 N C 1.438 176.926 175.510 -0.036 0.000 1.041 1220 N CA 2.226 55.242 53.050 -0.055 0.000 0.862 1220 N CB -0.108 38.343 38.487 -0.060 0.000 1.048 1220 N HN 0.257 nan 8.380 nan 0.000 0.427 1221 D N -1.157 119.220 120.400 -0.038 0.000 2.144 1221 D HA -0.168 4.476 4.640 0.006 0.000 0.199 1221 D C 1.588 177.868 176.300 -0.033 0.000 0.984 1221 D CA 0.712 54.691 54.000 -0.036 0.000 0.834 1221 D CB -0.541 40.233 40.800 -0.042 0.000 0.955 1221 D HN 0.421 nan 8.370 nan 0.000 0.465 1222 Y N 1.219 121.399 120.300 -0.201 0.000 2.128 1222 Y HA -0.195 4.358 4.550 0.006 0.000 0.284 1222 Y C 2.122 177.937 175.900 -0.142 0.000 1.154 1222 Y CA 1.114 59.085 58.100 -0.215 0.000 1.149 1222 Y CB -0.494 37.812 38.460 -0.256 0.000 0.976 1222 Y HN -0.027 nan 8.280 nan 0.000 0.505 1223 L N 0.417 121.560 121.223 -0.133 0.000 2.023 1223 L HA 0.048 4.392 4.340 0.006 0.000 0.205 1223 L C 2.488 179.258 176.870 -0.167 0.000 1.073 1223 L CA 2.100 56.814 54.840 -0.211 0.000 0.745 1223 L CB -1.510 40.479 42.059 -0.117 0.000 0.900 1223 L HN 0.204 nan 8.230 nan 0.000 0.435 1224 A N -0.417 122.344 122.820 -0.098 0.000 1.884 1224 A HA -0.315 4.009 4.320 0.006 0.000 0.219 1224 A C 2.203 179.742 177.584 -0.075 0.000 1.197 1224 A CA 2.281 54.278 52.037 -0.066 0.000 0.637 1224 A CB -0.947 18.033 19.000 -0.033 0.000 0.827 1224 A HN 0.624 nan 8.150 nan 0.000 0.450 1225 E N -0.638 119.514 120.200 -0.080 0.000 2.160 1225 E HA -0.101 4.253 4.350 0.006 0.000 0.195 1225 E C 2.226 178.765 176.600 -0.102 0.000 0.991 1225 E CA 0.935 57.293 56.400 -0.069 0.000 0.810 1225 E CB -0.278 29.394 29.700 -0.047 0.000 0.742 1225 E HN 0.647 nan 8.360 nan 0.000 0.466 1226 A N 0.693 123.407 122.820 -0.177 0.000 1.969 1226 A HA -0.122 4.202 4.320 0.006 0.000 0.218 1226 A C 2.267 179.768 177.584 -0.138 0.000 1.169 1226 A CA 1.523 53.443 52.037 -0.196 0.000 0.635 1226 A CB -0.263 18.544 19.000 -0.321 0.000 0.810 1226 A HN 0.245 nan 8.150 nan 0.000 0.445 1227 V N -2.479 117.363 119.914 -0.120 0.000 3.578 1227 V HA 0.185 4.309 4.120 0.006 0.000 0.290 1227 V C 0.400 176.463 176.094 -0.053 0.000 1.376 1227 V CA 0.035 62.282 62.300 -0.087 0.000 1.083 1227 V CB -1.590 30.179 31.823 -0.089 0.000 0.911 1227 V HN 0.423 nan 8.190 nan 0.000 0.433 1228 N N 2.322 120.993 118.700 -0.047 0.000 2.357 1228 N HA 0.347 5.091 4.740 0.006 0.000 0.257 1228 N C 1.302 176.801 175.510 -0.017 0.000 1.250 1228 N CA 1.975 55.010 53.050 -0.024 0.000 0.862 1228 N CB 0.409 38.885 38.487 -0.019 0.000 1.066 1228 N HN 0.787 nan 8.380 nan 0.000 0.468 1229 G N 1.882 110.678 108.800 -0.007 0.000 2.175 1229 G HA2 -0.203 3.761 3.960 0.006 0.000 0.244 1229 G HA3 -0.203 3.761 3.960 0.006 0.000 0.244 1229 G C -0.323 174.575 174.900 -0.003 0.000 0.982 1229 G CA 0.258 45.356 45.100 -0.003 0.000 0.641 1229 G HN 0.530 nan 8.290 nan 0.000 0.527 1230 L N 0.508 121.728 121.223 -0.005 0.000 2.362 1230 L HA 0.539 4.883 4.340 0.006 0.000 0.271 1230 L C -2.230 174.646 176.870 0.010 0.000 1.002 1230 L CA -2.391 52.447 54.840 -0.002 0.000 0.818 1230 L CB 2.097 44.147 42.059 -0.015 0.000 1.298 1230 L HN -0.157 nan 8.230 nan 0.000 0.420 1231 P HA 0.162 nan 4.420 nan 0.000 0.271 1231 P C -0.673 176.654 177.300 0.045 0.000 1.220 1231 P CA -0.106 63.013 63.100 0.033 0.000 0.768 1231 P CB 0.842 32.561 31.700 0.032 0.000 0.848 1232 T N 0.445 115.036 114.554 0.062 0.000 2.887 1232 T HA 0.762 5.115 4.350 0.006 0.000 0.292 1232 T C -1.290 173.489 174.700 0.131 0.000 1.087 1232 T CA -0.864 61.291 62.100 0.091 0.000 1.009 1232 T CB 1.154 70.066 68.868 0.073 0.000 1.203 1232 T HN 0.172 nan 8.240 nan 0.000 0.518 1233 L N 2.277 123.620 121.223 0.199 0.000 2.528 1233 L HA 0.578 4.922 4.340 0.006 0.000 0.267 1233 L C -2.618 174.486 176.870 0.389 0.000 0.961 1233 L CA -1.720 53.262 54.840 0.236 0.000 0.866 1233 L CB 2.242 44.409 42.059 0.180 0.000 1.248 1233 L HN 0.548 nan 8.230 nan 0.000 0.404 1234 P HA 0.093 nan 4.420 nan 0.000 0.286 1234 P C 0.247 177.679 177.300 0.220 0.000 1.293 1234 P CA -0.138 63.146 63.100 0.307 0.000 0.770 1234 P CB 0.876 32.851 31.700 0.458 0.000 1.206 1235 E N -0.065 120.248 120.200 0.188 0.000 2.085 1235 E HA -0.173 4.181 4.350 0.006 0.000 0.194 1235 E C 0.562 177.234 176.600 0.120 0.000 0.994 1235 E CA 1.269 57.749 56.400 0.133 0.000 0.801 1235 E CB -0.002 29.767 29.700 0.115 0.000 0.743 1235 E HN 0.401 nan 8.360 nan 0.000 0.453 1236 K N 0.508 120.997 120.400 0.148 0.000 2.328 1236 K HA 0.440 4.764 4.320 0.006 0.000 0.246 1236 K C -2.721 173.954 176.600 0.126 0.000 0.955 1236 K CA -2.270 54.085 56.287 0.114 0.000 0.817 1236 K CB 1.830 34.396 32.500 0.109 0.000 1.208 1236 K HN -0.248 nan 8.250 nan 0.000 0.432 1237 P HA -0.120 nan 4.420 nan 0.000 0.265 1237 P C -0.867 176.469 177.300 0.061 0.000 1.187 1237 P CA 0.089 63.214 63.100 0.040 0.000 0.766 1237 P CB 0.258 31.946 31.700 -0.021 0.000 0.820 1238 F N 5.148 125.018 119.950 -0.135 0.000 2.445 1238 F HA 0.404 4.934 4.527 0.006 0.000 0.359 1238 F C 0.328 176.071 175.800 -0.096 0.000 1.101 1238 F CA -0.761 57.083 58.000 -0.261 0.000 1.177 1238 F CB 0.209 38.944 39.000 -0.442 0.000 1.110 1238 F HN 0.208 nan 8.300 nan 0.000 0.522 1239 I N 3.559 123.725 120.570 -0.673 0.000 2.846 1239 I HA 1.039 5.213 4.170 0.006 0.000 0.307 1239 I C -0.375 174.944 176.117 -1.330 0.000 1.053 1239 I CA -0.895 59.855 61.300 -0.918 0.000 1.050 1239 I CB 2.019 39.715 38.000 -0.505 0.000 1.239 1239 I HN 0.738 nan 8.210 nan 0.000 0.439 1240 G N 2.430 110.040 108.800 -1.983 0.000 2.576 1240 G HA2 0.565 4.529 3.960 0.006 0.000 0.290 1240 G HA3 0.565 4.529 3.960 0.006 0.000 0.290 1240 G C -2.096 171.840 174.900 -1.608 0.000 1.442 1240 G CA -0.722 43.255 45.100 -1.871 0.000 0.792 1240 G HN 1.155 nan 8.290 nan 0.000 0.491 1241 N N -1.561 116.676 118.700 -0.772 0.000 3.322 1241 N HA 0.601 5.345 4.740 0.006 0.000 0.233 1241 N C -2.204 173.338 175.510 0.054 0.000 1.399 1241 N CA -0.737 52.136 53.050 -0.295 0.000 0.894 1241 N CB 2.349 40.685 38.487 -0.251 0.000 1.440 1241 N HN 0.916 nan 8.380 nan 0.000 0.503 1242 F N 0.130 120.083 119.950 0.006 0.000 2.635 1242 F HA 0.739 5.269 4.527 0.005 0.000 0.314 1242 F C -1.901 173.976 175.800 0.129 0.000 1.119 1242 F CA -0.206 57.846 58.000 0.086 0.000 1.000 1242 F CB 1.780 40.868 39.000 0.147 0.000 1.278 1242 F HN 0.917 nan 8.300 nan 0.000 0.446 1243 A N 3.553 125.880 122.820 -0.822 0.000 2.381 1243 A HA 0.864 5.187 4.320 0.006 0.000 0.299 1243 A C -0.836 176.338 177.584 -0.684 0.000 1.049 1243 A CA -0.081 51.660 52.037 -0.494 0.000 0.715 1243 A CB 1.197 20.059 19.000 -0.230 0.000 1.222 1243 A HN 1.348 nan 8.150 nan 0.000 0.428 1244 G N 0.084 108.722 108.800 -0.270 0.000 3.042 1244 G HA2 0.462 4.425 3.960 0.006 0.000 0.278 1244 G HA3 0.462 4.425 3.960 0.006 0.000 0.278 1244 G C 0.151 175.086 174.900 0.058 0.000 1.371 1244 G CA 0.281 45.331 45.100 -0.083 0.000 1.009 1244 G HN 0.633 nan 8.290 nan 0.000 0.523 1245 D N -1.494 118.946 120.400 0.066 0.000 2.144 1245 D HA -0.120 4.524 4.640 0.006 0.000 0.200 1245 D C 2.277 178.645 176.300 0.114 0.000 0.978 1245 D CA 2.307 56.345 54.000 0.064 0.000 0.833 1245 D CB 0.247 41.059 40.800 0.019 0.000 0.961 1245 D HN 0.384 nan 8.370 nan 0.000 0.470 1246 T N -2.922 111.712 114.554 0.133 0.000 3.054 1246 T HA 0.168 4.522 4.350 0.006 0.000 0.255 1246 T C 0.144 174.992 174.700 0.247 0.000 1.035 1246 T CA -0.408 61.794 62.100 0.171 0.000 0.941 1246 T CB -0.044 68.855 68.868 0.052 0.000 1.026 1246 T HN 0.412 nan 8.240 nan 0.000 0.533 1247 E N -0.191 120.108 120.200 0.165 0.000 2.401 1247 E HA 0.683 5.037 4.350 0.006 0.000 0.280 1247 E C -1.701 174.910 176.600 0.018 0.000 1.039 1247 E CA -1.551 54.801 56.400 -0.080 0.000 0.814 1247 E CB 1.394 30.776 29.700 -0.530 0.000 1.275 1247 E HN 0.234 nan 8.360 nan 0.000 0.448 1248 A N 0.878 123.741 122.820 0.072 0.000 2.604 1248 A HA 0.728 5.051 4.320 0.006 0.000 0.295 1248 A C -1.749 176.044 177.584 0.349 0.000 1.067 1248 A CA -0.449 51.718 52.037 0.217 0.000 0.683 1248 A CB 2.210 21.167 19.000 -0.070 0.000 1.281 1248 A HN 0.752 nan 8.150 nan 0.000 0.407 1249 V N 1.058 121.168 119.914 0.327 0.000 2.888 1249 V HA 0.779 4.903 4.120 0.006 0.000 0.309 1249 V C -2.049 174.149 176.094 0.174 0.000 1.114 1249 V CA -0.420 62.025 62.300 0.241 0.000 0.940 1249 V CB 2.004 33.905 31.823 0.129 0.000 1.021 1249 V HN 1.012 nan 8.190 nan 0.000 0.426 1250 D N 4.408 124.902 120.400 0.156 0.000 2.857 1250 D HA 0.615 5.259 4.640 0.006 0.000 0.227 1250 D C -1.705 174.679 176.300 0.141 0.000 1.192 1250 D CA 0.002 54.008 54.000 0.010 0.000 0.857 1250 D CB 2.442 43.209 40.800 -0.055 0.000 1.645 1250 D HN 0.702 nan 8.370 nan 0.000 0.482 1251 W N 1.965 123.197 121.300 -0.112 0.000 3.066 1251 W HA 0.778 5.441 4.660 0.006 0.000 0.330 1251 W C -2.246 174.162 176.519 -0.185 0.000 1.253 1251 W CA -0.998 56.274 57.345 -0.121 0.000 1.187 1251 W CB 0.633 30.003 29.460 -0.150 0.000 1.434 1251 W HN 0.472 nan 8.180 nan 0.000 0.572 1252 A N 2.733 125.633 122.820 0.133 0.000 2.459 1252 A HA 0.888 5.212 4.320 0.006 0.000 0.296 1252 A C -1.667 175.967 177.584 0.084 0.000 1.039 1252 A CA -0.483 51.556 52.037 0.004 0.000 0.698 1252 A CB 0.926 19.898 19.000 -0.045 0.000 1.261 1252 A HN 1.683 nan 8.150 nan 0.000 0.405 1253 L N 0.470 121.704 121.223 0.018 0.000 2.671 1253 L HA 1.014 5.358 4.340 0.006 0.000 0.259 1253 L C -1.276 175.444 176.870 -0.250 0.000 1.021 1253 L CA -0.858 53.896 54.840 -0.144 0.000 0.871 1253 L CB 1.499 43.424 42.059 -0.224 0.000 1.472 1253 L HN 1.177 nan 8.230 nan 0.000 0.410 1254 L N -3.331 117.603 121.223 -0.482 0.000 3.119 1254 L HA 0.699 5.043 4.340 0.006 0.000 0.283 1254 L C -1.835 174.743 176.870 -0.486 0.000 1.028 1254 L CA -0.883 53.758 54.840 -0.333 0.000 0.975 1254 L CB 0.914 42.964 42.059 -0.016 0.000 1.543 1254 L HN 0.793 nan 8.230 nan 0.000 0.390 1255 W N 0.884 122.173 121.300 -0.018 0.000 2.706 1255 W HA 0.678 5.341 4.660 0.006 0.000 0.346 1255 W C -0.973 175.532 176.519 -0.024 0.000 1.071 1255 W CA -0.681 56.647 57.345 -0.029 0.000 1.206 1255 W CB 2.323 31.778 29.460 -0.009 0.000 1.413 1255 W HN 0.249 nan 8.180 nan 0.000 0.542 1256 L N 4.443 125.763 121.223 0.163 0.000 2.679 1256 L HA 0.167 4.511 4.340 0.006 0.000 0.238 1256 L C -1.232 175.692 176.870 0.089 0.000 1.330 1256 L CA -1.317 53.573 54.840 0.083 0.000 0.935 1256 L CB 0.271 42.334 42.059 0.007 0.000 1.243 1256 L HN 0.111 nan 8.230 nan 0.000 0.484 1257 P HA -0.153 nan 4.420 nan 0.000 0.218 1257 P C 0.713 178.042 177.300 0.049 0.000 1.149 1257 P CA 1.174 64.322 63.100 0.080 0.000 0.817 1257 P CB 0.563 32.305 31.700 0.070 0.000 0.785 1258 E N -0.133 120.092 120.200 0.042 0.000 2.494 1258 E HA 0.282 4.636 4.350 0.006 0.000 0.193 1258 E C 0.928 177.540 176.600 0.019 0.000 1.074 1258 E CA 0.091 56.508 56.400 0.028 0.000 0.867 1258 E CB -0.217 29.499 29.700 0.027 0.000 0.924 1258 E HN 0.274 nan 8.360 nan 0.000 0.502 1259 G N -0.222 108.589 108.800 0.018 0.000 2.525 1259 G HA2 0.229 4.193 3.960 0.006 0.000 0.685 1259 G HA3 0.229 4.193 3.960 0.006 0.000 0.685 1259 G C -0.029 174.867 174.900 -0.006 0.000 1.290 1259 G CA -0.656 44.447 45.100 0.005 0.000 0.915 1259 G HN 0.634 nan 8.290 nan 0.000 0.548 1260 G N -1.220 107.569 108.800 -0.018 0.000 2.459 1260 G HA2 0.494 4.458 3.960 0.006 0.000 0.685 1260 G HA3 0.494 4.458 3.960 0.006 0.000 0.685 1260 G C -0.542 174.329 174.900 -0.049 0.000 1.303 1260 G CA 0.688 45.771 45.100 -0.030 0.000 0.907 1260 G HN 1.942 nan 8.290 nan 0.000 0.632 1261 E N 0.015 120.180 120.200 -0.059 0.000 2.257 1261 E HA 0.494 4.848 4.350 0.006 0.000 0.278 1261 E C 0.696 177.229 176.600 -0.111 0.000 1.049 1261 E CA -0.262 56.091 56.400 -0.079 0.000 0.876 1261 E CB 0.368 30.023 29.700 -0.074 0.000 1.035 1261 E HN 0.526 nan 8.360 nan 0.000 0.419 1262 L N 4.594 125.736 121.223 -0.135 0.000 2.371 1262 L HA 0.267 4.611 4.340 0.006 0.000 0.272 1262 L C -0.048 176.683 176.870 -0.232 0.000 1.124 1262 L CA -0.737 53.988 54.840 -0.192 0.000 0.816 1262 L CB 0.757 42.685 42.059 -0.218 0.000 1.129 1262 L HN 0.444 nan 8.230 nan 0.000 0.448 1263 L N 3.596 124.646 121.223 -0.288 0.000 2.280 1263 L HA 0.443 4.787 4.340 0.006 0.000 0.287 1263 L C -0.474 176.097 176.870 -0.498 0.000 1.023 1263 L CA -0.010 54.637 54.840 -0.322 0.000 0.819 1263 L CB 1.273 43.147 42.059 -0.309 0.000 1.212 1263 L HN 0.740 nan 8.230 nan 0.000 0.420 1264 T N 1.257 115.489 114.554 -0.537 0.000 3.009 1264 T HA 0.582 4.936 4.350 0.006 0.000 0.346 1264 T C -0.415 173.927 174.700 -0.597 0.000 1.092 1264 T CA -0.690 60.841 62.100 -0.949 0.000 1.080 1264 T CB 0.971 69.398 68.868 -0.735 0.000 1.037 1264 T HN 0.646 nan 8.240 nan 0.000 0.487 1265 E N 1.815 121.711 120.200 -0.506 0.000 2.248 1265 E HA 0.642 4.996 4.350 0.006 0.000 0.267 1265 E C -0.744 175.878 176.600 0.036 0.000 0.877 1265 E CA -0.975 55.335 56.400 -0.149 0.000 0.759 1265 E CB 2.197 31.951 29.700 0.090 0.000 1.182 1265 E HN 0.772 nan 8.360 nan 0.000 0.418 1266 S N 1.621 117.273 115.700 -0.081 0.000 2.548 1266 S HA 0.706 5.180 4.470 0.006 0.000 0.286 1266 S C -1.213 173.310 174.600 -0.128 0.000 1.098 1266 S CA -0.753 57.493 58.200 0.077 0.000 0.930 1266 S CB 0.917 64.126 63.200 0.014 0.000 1.070 1266 S HN 0.424 nan 8.310 nan 0.000 0.480 1267 Y N -0.357 120.117 120.300 0.291 0.000 2.562 1267 Y HA 0.668 5.222 4.550 0.006 0.000 0.345 1267 Y C -0.790 175.252 175.900 0.237 0.000 1.045 1267 Y CA -1.131 57.109 58.100 0.233 0.000 1.028 1267 Y CB 2.303 40.830 38.460 0.112 0.000 1.297 1267 Y HN 0.618 nan 8.280 nan 0.000 0.463 1268 V N 2.704 122.820 119.914 0.337 0.000 2.482 1268 V HA 0.284 4.408 4.120 0.006 0.000 0.295 1268 V C -0.610 175.621 176.094 0.228 0.000 1.026 1268 V CA -1.377 61.050 62.300 0.213 0.000 0.856 1268 V CB 1.312 33.217 31.823 0.137 0.000 1.001 1268 V HN 0.917 nan 8.190 nan 0.000 0.424 1269 N N 3.802 122.576 118.700 0.123 0.000 2.721 1269 N HA -0.215 4.529 4.740 0.006 0.000 0.249 1269 N C 0.461 176.028 175.510 0.095 0.000 1.072 1269 N CA 0.854 53.961 53.050 0.096 0.000 0.710 1269 N CB -0.811 37.758 38.487 0.137 0.000 0.993 1269 N HN 0.789 nan 8.380 nan 0.000 0.547 1270 L N -3.316 117.970 121.223 0.104 0.000 4.937 1270 L HA -0.239 4.104 4.340 0.006 0.000 0.422 1270 L C 0.001 176.981 176.870 0.183 0.000 1.059 1270 L CA 0.969 55.856 54.840 0.079 0.000 1.111 1270 L CB -0.856 41.188 42.059 -0.025 0.000 2.033 1270 L HN 0.374 nan 8.230 nan 0.000 0.708 1271 I N 2.520 123.206 120.570 0.193 0.000 2.371 1271 I HA 0.255 4.429 4.170 0.006 0.000 0.290 1271 I C -1.633 174.584 176.117 0.167 0.000 1.028 1271 I CA -1.744 59.615 61.300 0.098 0.000 1.345 1271 I CB 1.013 38.963 38.000 -0.084 0.000 1.407 1271 I HN -0.063 nan 8.210 nan 0.000 0.501 1272 P HA 0.095 nan 4.420 nan 0.000 0.276 1272 P C -0.209 177.032 177.300 -0.098 0.000 1.264 1272 P CA -0.218 62.778 63.100 -0.174 0.000 0.769 1272 P CB 0.098 31.741 31.700 -0.095 0.000 0.840 1273 T N 1.425 115.940 114.554 -0.066 0.000 3.151 1273 T HA 0.207 4.561 4.350 0.006 0.000 0.332 1273 T C 1.515 176.233 174.700 0.031 0.000 1.245 1273 T CA -0.778 61.370 62.100 0.080 0.000 1.019 1273 T CB -0.168 68.876 68.868 0.294 0.000 1.109 1273 T HN 0.108 nan 8.240 nan 0.000 0.621 1274 M N 1.177 120.777 119.600 0.000 0.000 2.346 1274 M HA -0.054 4.430 4.480 0.006 0.000 0.263 1274 M C 1.725 178.040 176.300 0.024 0.000 1.064 1274 M CA 1.445 56.739 55.300 -0.010 0.000 1.083 1274 M CB -0.954 31.641 32.600 -0.008 0.000 1.399 1274 M HN 0.626 nan 8.290 nan 0.000 0.435 1275 Q N -0.416 119.419 119.800 0.059 0.000 2.188 1275 Q HA 0.308 4.652 4.340 0.006 0.000 0.212 1275 Q C 1.018 177.082 176.000 0.107 0.000 0.846 1275 Q CA 0.123 55.968 55.803 0.072 0.000 0.989 1275 Q CB 0.587 29.363 28.738 0.063 0.000 1.114 1275 Q HN 0.612 nan 8.270 nan 0.000 0.488 1276 G N 0.681 109.561 108.800 0.134 0.000 2.583 1276 G HA2 -0.209 3.755 3.960 0.006 0.000 0.292 1276 G HA3 -0.209 3.755 3.960 0.006 0.000 0.292 1276 G C 0.355 175.421 174.900 0.277 0.000 1.203 1276 G CA -0.163 45.031 45.100 0.156 0.000 0.987 1276 G HN 0.833 nan 8.290 nan 0.000 0.554 1277 G N -3.883 105.030 108.800 0.188 0.000 2.278 1277 G HA2 0.479 4.443 3.960 0.006 0.000 0.265 1277 G HA3 0.479 4.443 3.960 0.006 0.000 0.265 1277 G C 1.067 176.087 174.900 0.199 0.000 1.329 1277 G CA 1.418 46.648 45.100 0.217 0.000 1.017 1277 G HN 2.301 nan 8.290 nan 0.000 0.472 1278 T N -1.687 112.969 114.554 0.170 0.000 2.759 1278 T HA -0.181 4.173 4.350 0.006 0.000 0.269 1278 T C 1.965 176.748 174.700 0.138 0.000 1.042 1278 T CA 2.691 64.849 62.100 0.096 0.000 1.140 1278 T CB -0.833 68.061 68.868 0.044 0.000 0.864 1278 T HN 1.136 nan 8.240 nan 0.000 0.455 1279 H N 0.299 119.359 119.070 -0.017 0.000 2.357 1279 H HA 0.123 4.682 4.556 0.006 0.000 0.301 1279 H C 2.174 177.453 175.328 -0.082 0.000 1.082 1279 H CA 0.798 56.834 56.048 -0.019 0.000 1.342 1279 H CB -0.594 29.190 29.762 0.037 0.000 1.389 1279 H HN 0.221 nan 8.280 nan 0.000 0.511 1280 V N 1.890 121.589 119.914 -0.359 0.000 2.427 1280 V HA -0.243 3.880 4.120 0.006 0.000 0.248 1280 V C 1.881 177.749 176.094 -0.377 0.000 1.051 1280 V CA 1.769 63.835 62.300 -0.390 0.000 1.048 1280 V CB -0.450 31.210 31.823 -0.271 0.000 0.666 1280 V HN 0.514 nan 8.190 nan 0.000 0.456 1281 N N 1.102 119.649 118.700 -0.255 0.000 2.166 1281 N HA -0.126 4.617 4.740 0.006 0.000 0.186 1281 N C 1.902 177.230 175.510 -0.302 0.000 1.019 1281 N CA 1.650 54.525 53.050 -0.292 0.000 0.856 1281 N CB -0.756 37.634 38.487 -0.162 0.000 0.993 1281 N HN 0.518 nan 8.380 nan 0.000 0.426 1282 G N 1.355 110.025 108.800 -0.217 0.000 2.421 1282 G HA2 -0.195 3.769 3.960 0.006 0.000 0.216 1282 G HA3 -0.195 3.769 3.960 0.006 0.000 0.216 1282 G C 1.592 176.313 174.900 -0.299 0.000 1.171 1282 G CA 0.597 45.573 45.100 -0.206 0.000 0.775 1282 G HN 0.268 nan 8.290 nan 0.000 0.543 1283 L N 0.664 121.666 121.223 -0.367 0.000 2.012 1283 L HA 0.008 4.352 4.340 0.006 0.000 0.210 1283 L C 2.728 179.322 176.870 -0.460 0.000 1.073 1283 L CA 2.407 56.980 54.840 -0.444 0.000 0.748 1283 L CB -0.639 41.142 42.059 -0.464 0.000 0.891 1283 L HN 0.247 nan 8.230 nan 0.000 0.431 1284 R N -1.001 119.085 120.500 -0.690 0.000 2.080 1284 R HA -0.258 4.085 4.340 0.006 0.000 0.236 1284 R C 2.430 178.485 176.300 -0.407 0.000 1.137 1284 R CA 2.011 57.609 56.100 -0.837 0.000 0.943 1284 R CB -0.397 29.085 30.300 -1.363 0.000 0.846 1284 R HN 0.485 nan 8.270 nan 0.000 0.431 1285 Q N -0.236 119.359 119.800 -0.343 0.000 2.096 1285 Q HA -0.088 4.256 4.340 0.006 0.000 0.204 1285 Q C 1.850 177.769 176.000 -0.136 0.000 0.982 1285 Q CA 2.209 57.891 55.803 -0.201 0.000 0.850 1285 Q CB -0.737 27.898 28.738 -0.171 0.000 0.901 1285 Q HN 0.504 nan 8.270 nan 0.000 0.422 1286 G N 0.154 108.854 108.800 -0.167 0.000 2.440 1286 G HA2 -0.225 3.739 3.960 0.006 0.000 0.218 1286 G HA3 -0.225 3.739 3.960 0.006 0.000 0.218 1286 G C 1.183 176.066 174.900 -0.028 0.000 1.154 1286 G CA 0.907 45.938 45.100 -0.114 0.000 0.767 1286 G HN 0.354 nan 8.290 nan 0.000 0.552 1287 L N 0.006 121.185 121.223 -0.073 0.000 2.046 1287 L HA 0.044 4.388 4.340 0.006 0.000 0.208 1287 L C 2.676 179.648 176.870 0.171 0.000 1.077 1287 L CA 1.112 55.969 54.840 0.028 0.000 0.747 1287 L CB -1.003 41.038 42.059 -0.030 0.000 0.896 1287 L HN 0.269 nan 8.230 nan 0.000 0.432 1288 L N -0.627 120.639 121.223 0.073 0.000 2.027 1288 L HA -0.166 4.178 4.340 0.006 0.000 0.206 1288 L C 2.082 178.998 176.870 0.077 0.000 1.074 1288 L CA 1.745 56.630 54.840 0.075 0.000 0.745 1288 L CB -0.826 41.240 42.059 0.011 0.000 0.898 1288 L HN 0.230 nan 8.230 nan 0.000 0.433 1289 D N 0.071 120.501 120.400 0.050 0.000 2.123 1289 D HA -0.167 4.476 4.640 0.006 0.000 0.196 1289 D C 2.174 178.522 176.300 0.080 0.000 0.992 1289 D CA 1.611 55.639 54.000 0.047 0.000 0.833 1289 D CB -0.203 40.609 40.800 0.020 0.000 0.954 1289 D HN 0.521 nan 8.370 nan 0.000 0.455 1290 A N 0.528 123.427 122.820 0.133 0.000 1.898 1290 A HA -0.111 4.213 4.320 0.006 0.000 0.216 1290 A C 2.142 179.776 177.584 0.084 0.000 1.181 1290 A CA 1.027 53.141 52.037 0.129 0.000 0.620 1290 A CB -0.337 18.809 19.000 0.244 0.000 0.819 1290 A HN 0.081 nan 8.150 nan 0.000 0.442 1291 M N -0.483 119.203 119.600 0.144 0.000 2.175 1291 M HA -0.055 4.429 4.480 0.006 0.000 0.264 1291 M C 2.179 178.554 176.300 0.126 0.000 1.063 1291 M CA 1.349 56.711 55.300 0.103 0.000 1.119 1291 M CB -0.959 31.727 32.600 0.143 0.000 1.377 1291 M HN 0.421 nan 8.290 nan 0.000 0.415 1292 R N -0.441 120.119 120.500 0.101 0.000 2.081 1292 R HA -0.180 4.164 4.340 0.006 0.000 0.235 1292 R C 2.118 178.468 176.300 0.084 0.000 1.131 1292 R CA 1.649 57.797 56.100 0.079 0.000 0.960 1292 R CB -0.319 30.014 30.300 0.055 0.000 0.856 1292 R HN 0.499 nan 8.270 nan 0.000 0.436 1293 E N 0.038 120.291 120.200 0.087 0.000 2.077 1293 E HA -0.219 4.135 4.350 0.006 0.000 0.193 1293 E C 1.714 178.382 176.600 0.115 0.000 0.989 1293 E CA 1.063 57.511 56.400 0.079 0.000 0.800 1293 E CB -0.105 29.626 29.700 0.050 0.000 0.746 1293 E HN 0.217 nan 8.360 nan 0.000 0.452 1294 F N 1.072 121.005 119.950 -0.029 0.000 2.069 1294 F HA -0.265 4.266 4.527 0.006 0.000 0.298 1294 F C 2.340 178.153 175.800 0.022 0.000 1.113 1294 F CA 1.706 59.689 58.000 -0.028 0.000 1.214 1294 F CB -0.582 38.351 39.000 -0.111 0.000 0.978 1294 F HN 0.163 nan 8.300 nan 0.000 0.474 1295 C N 0.480 119.852 119.300 0.119 0.000 2.429 1295 C HA -0.165 4.299 4.460 0.006 0.000 0.277 1295 C C 2.664 177.625 174.990 -0.048 0.000 1.262 1295 C CA 1.380 60.403 59.018 0.008 0.000 1.733 1295 C CB -1.251 26.536 27.740 0.078 0.000 2.010 1295 C HN 0.540 nan 8.230 nan 0.000 0.483 1296 E N -0.963 119.239 120.200 0.003 0.000 2.106 1296 E HA -0.218 4.136 4.350 0.006 0.000 0.192 1296 E C 1.824 178.419 176.600 -0.008 0.000 0.984 1296 E CA 1.264 57.664 56.400 0.001 0.000 0.806 1296 E CB -0.233 29.486 29.700 0.031 0.000 0.750 1296 E HN 0.838 nan 8.360 nan 0.000 0.458 1297 Y N 1.048 121.268 120.300 -0.133 0.000 2.263 1297 Y HA -0.072 4.482 4.550 0.006 0.000 0.292 1297 Y C 1.870 177.648 175.900 -0.204 0.000 1.130 1297 Y CA 1.140 59.151 58.100 -0.149 0.000 1.179 1297 Y CB 0.369 38.744 38.460 -0.142 0.000 0.998 1297 Y HN -0.171 nan 8.280 nan 0.000 0.532 1298 R N 0.653 121.003 120.500 -0.249 0.000 2.299 1298 R HA -0.071 4.273 4.340 0.006 0.000 0.197 1298 R C 0.455 176.602 176.300 -0.255 0.000 0.971 1298 R CA 0.843 56.737 56.100 -0.343 0.000 1.030 1298 R CB -0.987 29.002 30.300 -0.519 0.000 0.932 1298 R HN 0.425 nan 8.270 nan 0.000 0.477 1299 N N 1.230 119.810 118.700 -0.201 0.000 2.735 1299 N HA -0.171 4.572 4.740 0.006 0.000 0.248 1299 N C 0.380 175.826 175.510 -0.107 0.000 1.083 1299 N CA 0.700 53.666 53.050 -0.140 0.000 0.703 1299 N CB -1.187 37.211 38.487 -0.149 0.000 1.005 1299 N HN 0.557 nan 8.380 nan 0.000 0.550 1300 I N -3.631 116.877 120.570 -0.103 0.000 3.904 1300 I HA 0.286 4.460 4.170 0.006 0.000 0.333 1300 I C 0.116 176.213 176.117 -0.033 0.000 1.361 1300 I CA -0.477 60.784 61.300 -0.065 0.000 1.116 1300 I CB 0.088 38.052 38.000 -0.059 0.000 1.028 1300 I HN 0.030 nan 8.210 nan 0.000 0.398 1301 L N 3.807 125.011 121.223 -0.032 0.000 2.261 1301 L HA 0.588 4.932 4.340 0.006 0.000 0.289 1301 L C -2.148 174.712 176.870 -0.017 0.000 1.059 1301 L CA -1.610 53.221 54.840 -0.014 0.000 0.816 1301 L CB 0.276 42.330 42.059 -0.008 0.000 1.191 1301 L HN -0.024 nan 8.230 nan 0.000 0.431 1302 P HA 0.196 nan 4.420 nan 0.000 0.267 1302 P C -0.529 176.764 177.300 -0.010 0.000 1.200 1302 P CA -0.128 62.965 63.100 -0.012 0.000 0.772 1302 P CB 0.299 31.995 31.700 -0.007 0.000 0.855 1303 R N 1.890 122.383 120.500 -0.012 0.000 2.522 1303 R HA 0.413 4.756 4.340 0.006 0.000 0.284 1303 R C 1.414 177.710 176.300 -0.007 0.000 1.032 1303 R CA 0.317 56.410 56.100 -0.011 0.000 1.049 1303 R CB -1.563 28.730 30.300 -0.012 0.000 0.956 1303 R HN 0.983 nan 8.270 nan 0.000 0.422 1304 G N 0.203 109.000 108.800 -0.005 0.000 2.176 1304 G HA2 -0.195 3.768 3.960 0.006 0.000 0.253 1304 G HA3 -0.195 3.768 3.960 0.006 0.000 0.253 1304 G C 0.131 175.031 174.900 0.001 0.000 0.979 1304 G CA 0.242 45.341 45.100 -0.002 0.000 0.641 1304 G HN 1.329 nan 8.290 nan 0.000 0.530 1305 V N 0.795 120.709 119.914 0.001 0.000 2.370 1305 V HA 0.671 4.795 4.120 0.006 0.000 0.279 1305 V C 0.043 176.141 176.094 0.007 0.000 1.029 1305 V CA -0.505 61.798 62.300 0.004 0.000 0.870 1305 V CB 1.595 33.421 31.823 0.005 0.000 0.984 1305 V HN 0.235 nan 8.190 nan 0.000 0.451 1306 K N 4.635 125.040 120.400 0.010 0.000 2.376 1306 K HA 0.620 4.944 4.320 0.006 0.000 0.257 1306 K C -0.771 175.840 176.600 0.017 0.000 0.939 1306 K CA -0.351 55.943 56.287 0.012 0.000 0.809 1306 K CB 1.699 34.204 32.500 0.009 0.000 1.121 1306 K HN 0.531 nan 8.250 nan 0.000 0.425 1307 L N 2.169 123.405 121.223 0.022 0.000 2.426 1307 L HA 0.350 4.694 4.340 0.006 0.000 0.271 1307 L C 0.495 177.382 176.870 0.028 0.000 1.169 1307 L CA -0.175 54.683 54.840 0.030 0.000 0.836 1307 L CB 0.959 43.041 42.059 0.038 0.000 1.112 1307 L HN 0.760 nan 8.230 nan 0.000 0.465 1308 S N 1.084 116.804 115.700 0.034 0.000 2.677 1308 S HA 0.605 5.079 4.470 0.006 0.000 0.304 1308 S C 0.689 175.314 174.600 0.041 0.000 1.108 1308 S CA -0.236 57.980 58.200 0.028 0.000 0.944 1308 S CB 1.798 65.014 63.200 0.027 0.000 1.127 1308 S HN 0.656 nan 8.310 nan 0.000 0.511 1309 A N 1.061 123.892 122.820 0.019 0.000 1.927 1309 A HA -0.142 4.182 4.320 0.006 0.000 0.220 1309 A C 1.859 179.512 177.584 0.116 0.000 1.185 1309 A CA 2.292 54.339 52.037 0.016 0.000 0.639 1309 A CB -1.445 17.508 19.000 -0.080 0.000 0.820 1309 A HN 0.907 nan 8.150 nan 0.000 0.451 1310 E N 0.730 121.000 120.200 0.117 0.000 2.130 1310 E HA -0.182 4.172 4.350 0.006 0.000 0.196 1310 E C 1.521 178.227 176.600 0.176 0.000 0.998 1310 E CA 1.432 57.935 56.400 0.172 0.000 0.806 1310 E CB -0.366 29.402 29.700 0.114 0.000 0.738 1310 E HN 0.630 nan 8.360 nan 0.000 0.459 1311 D N -0.237 120.239 120.400 0.126 0.000 2.221 1311 D HA -0.136 4.508 4.640 0.006 0.000 0.204 1311 D C 1.598 177.976 176.300 0.129 0.000 0.982 1311 D CA 1.106 55.167 54.000 0.103 0.000 0.857 1311 D CB -0.040 40.798 40.800 0.065 0.000 0.934 1311 D HN 0.405 nan 8.370 nan 0.000 0.475 1312 I N -5.020 115.674 120.570 0.207 0.000 4.082 1312 I HA 0.200 4.374 4.170 0.006 0.000 0.337 1312 I C 1.638 178.105 176.117 0.583 0.000 1.352 1312 I CA -0.479 61.002 61.300 0.303 0.000 1.097 1312 I CB -0.252 37.904 38.000 0.260 0.000 1.048 1312 I HN -0.032 nan 8.210 nan 0.000 0.393 1313 W N 1.679 123.090 121.300 0.185 0.000 2.735 1313 W HA 0.040 4.704 4.660 0.006 0.000 0.264 1313 W C 1.213 177.807 176.519 0.125 0.000 1.233 1313 W CA 0.234 57.659 57.345 0.133 0.000 1.408 1313 W CB 0.554 30.042 29.460 0.047 0.000 1.038 1313 W HN 0.074 nan 8.180 nan 0.000 0.603 1314 D N 0.914 121.439 120.400 0.208 0.000 2.149 1314 D HA -0.191 4.453 4.640 0.006 0.000 0.194 1314 D C 1.449 177.745 176.300 -0.007 0.000 1.001 1314 D CA 1.511 55.558 54.000 0.078 0.000 0.849 1314 D CB -0.142 40.720 40.800 0.103 0.000 0.939 1314 D HN 0.047 nan 8.370 nan 0.000 0.449 1315 R N -0.365 120.178 120.500 0.072 0.000 2.633 1315 R HA 0.173 4.517 4.340 0.006 0.000 0.348 1315 R C -0.460 175.831 176.300 -0.015 0.000 1.100 1315 R CA -0.309 55.822 56.100 0.052 0.000 1.068 1315 R CB -0.385 29.998 30.300 0.139 0.000 1.351 1315 R HN 0.077 nan 8.270 nan 0.000 0.575 1316 C N 1.821 120.977 119.300 -0.240 0.000 2.325 1316 C HA 0.738 5.202 4.460 0.006 0.000 0.347 1316 C C 0.529 175.194 174.990 -0.541 0.000 1.263 1316 C CA -0.573 58.066 59.018 -0.632 0.000 1.806 1316 C CB -0.388 26.925 27.740 -0.712 0.000 2.405 1316 C HN 0.569 nan 8.230 nan 0.000 0.537 1317 A N 6.254 128.782 122.820 -0.488 0.000 2.292 1317 A HA 0.828 5.152 4.320 0.006 0.000 0.319 1317 A C -0.952 176.427 177.584 -0.342 0.000 1.206 1317 A CA -0.344 51.446 52.037 -0.412 0.000 0.835 1317 A CB 0.464 19.279 19.000 -0.309 0.000 1.164 1317 A HN 1.356 nan 8.150 nan 0.000 0.505 1318 Y N -0.904 119.194 120.300 -0.337 0.000 2.624 1318 Y HA 0.669 5.223 4.550 0.007 0.000 0.334 1318 Y C -1.479 174.363 175.900 -0.097 0.000 1.155 1318 Y CA -1.593 56.365 58.100 -0.236 0.000 1.046 1318 Y CB 0.907 39.199 38.460 -0.279 0.000 1.316 1318 Y HN 0.410 nan 8.280 nan 0.000 0.457 1319 V N 3.360 123.390 119.914 0.194 0.000 2.483 1319 V HA 0.524 4.648 4.120 0.006 0.000 0.297 1319 V C -1.286 175.023 176.094 0.358 0.000 1.027 1319 V CA -0.526 61.927 62.300 0.254 0.000 0.855 1319 V CB 1.431 33.401 31.823 0.244 0.000 0.995 1319 V HN 0.769 nan 8.190 nan 0.000 0.424 1320 L N 4.330 125.805 121.223 0.420 0.000 2.325 1320 L HA 0.794 5.138 4.340 0.006 0.000 0.281 1320 L C -0.154 176.928 176.870 0.353 0.000 1.004 1320 L CA 0.347 55.386 54.840 0.332 0.000 0.823 1320 L CB 2.002 44.185 42.059 0.207 0.000 1.236 1320 L HN 0.628 nan 8.230 nan 0.000 0.415 1321 S N 4.330 120.189 115.700 0.266 0.000 2.640 1321 S HA 0.769 5.243 4.470 0.006 0.000 0.320 1321 S C -1.034 173.673 174.600 0.179 0.000 1.097 1321 S CA -0.470 57.862 58.200 0.220 0.000 1.092 1321 S CB 0.855 64.093 63.200 0.064 0.000 0.988 1321 S HN 0.454 nan 8.310 nan 0.000 0.470 1322 V N 5.690 125.729 119.914 0.209 0.000 2.667 1322 V HA 0.651 4.775 4.120 0.006 0.000 0.308 1322 V C -0.527 175.575 176.094 0.014 0.000 1.048 1322 V CA -0.837 61.559 62.300 0.159 0.000 0.928 1322 V CB 2.084 34.046 31.823 0.231 0.000 1.004 1322 V HN 0.681 nan 8.190 nan 0.000 0.444 1323 K N 4.681 125.007 120.400 -0.124 0.000 2.345 1323 K HA 0.739 5.063 4.320 0.006 0.000 0.255 1323 K C -1.113 175.251 176.600 -0.393 0.000 0.934 1323 K CA -0.411 55.590 56.287 -0.477 0.000 0.801 1323 K CB 2.201 34.041 32.500 -1.101 0.000 1.137 1323 K HN 0.596 nan 8.250 nan 0.000 0.424 1324 M N 1.785 121.272 119.600 -0.188 0.000 2.378 1324 M HA 0.236 4.720 4.480 0.006 0.000 0.289 1324 M C 1.026 177.523 176.300 0.328 0.000 1.136 1324 M CA -0.501 54.825 55.300 0.043 0.000 0.917 1324 M CB 2.776 35.357 32.600 -0.030 0.000 1.669 1324 M HN 0.536 nan 8.290 nan 0.000 0.461 1325 Q N 0.935 120.941 119.800 0.343 0.000 2.172 1325 Q HA -0.102 4.242 4.340 0.006 0.000 0.200 1325 Q C -0.447 175.623 176.000 0.118 0.000 0.964 1325 Q CA 1.558 57.496 55.803 0.226 0.000 0.855 1325 Q CB 0.453 29.247 28.738 0.092 0.000 0.918 1325 Q HN 0.677 nan 8.270 nan 0.000 0.444 1326 D N 0.716 121.158 120.400 0.070 0.000 2.621 1326 D HA 0.211 4.855 4.640 0.006 0.000 0.274 1326 D C -2.518 173.764 176.300 -0.030 0.000 1.215 1326 D CA -1.506 52.514 54.000 0.033 0.000 0.810 1326 D CB 0.971 41.790 40.800 0.032 0.000 1.248 1326 D HN 0.113 nan 8.370 nan 0.000 0.517 1327 P HA 0.161 nan 4.420 nan 0.000 0.274 1327 P C -0.742 176.383 177.300 -0.292 0.000 1.256 1327 P CA -0.434 62.502 63.100 -0.272 0.000 0.795 1327 P CB 1.021 32.459 31.700 -0.437 0.000 1.038 1328 Q N 0.773 120.319 119.800 -0.422 0.000 2.303 1328 Q HA 0.425 4.769 4.340 0.006 0.000 0.267 1328 Q C -1.655 174.143 176.000 -0.336 0.000 1.011 1328 Q CA -0.502 55.160 55.803 -0.234 0.000 0.740 1328 Q CB 0.691 29.369 28.738 -0.101 0.000 1.250 1328 Q HN 0.261 nan 8.270 nan 0.000 0.458 1329 F N 0.747 120.739 119.950 0.070 0.000 2.432 1329 F HA 0.519 5.050 4.527 0.007 0.000 0.329 1329 F C 1.031 176.887 175.800 0.093 0.000 1.076 1329 F CA -0.430 57.610 58.000 0.067 0.000 1.018 1329 F CB 1.493 40.530 39.000 0.062 0.000 1.201 1329 F HN 0.725 nan 8.300 nan 0.000 0.489 1330 A N 1.195 124.176 122.820 0.269 0.000 2.206 1330 A HA 0.518 4.842 4.320 0.006 0.000 0.211 1330 A C 0.818 178.472 177.584 0.117 0.000 1.158 1330 A CA 1.007 53.133 52.037 0.148 0.000 0.761 1330 A CB -0.862 18.199 19.000 0.102 0.000 0.801 1330 A HN 0.912 nan 8.150 nan 0.000 0.473 1331 G N -2.477 106.423 108.800 0.166 0.000 2.523 1331 G HA2 0.370 4.334 3.960 0.006 0.000 0.291 1331 G HA3 0.370 4.334 3.960 0.006 0.000 0.291 1331 G C -0.043 174.943 174.900 0.143 0.000 1.450 1331 G CA 0.267 45.414 45.100 0.078 0.000 0.790 1331 G HN -0.042 nan 8.290 nan 0.000 0.496 1332 Q N -0.349 119.483 119.800 0.053 0.000 2.170 1332 Q HA -0.051 4.293 4.340 0.006 0.000 0.203 1332 Q C 2.174 178.203 176.000 0.049 0.000 0.976 1332 Q CA 2.931 58.817 55.803 0.139 0.000 0.858 1332 Q CB -0.467 28.307 28.738 0.060 0.000 0.907 1332 Q HN 0.522 nan 8.270 nan 0.000 0.433 1333 T N 0.647 115.154 114.554 -0.079 0.000 3.035 1333 T HA -0.022 4.332 4.350 0.006 0.000 0.268 1333 T C -0.127 174.509 174.700 -0.107 0.000 1.109 1333 T CA 0.742 62.701 62.100 -0.235 0.000 1.119 1333 T CB -0.123 68.516 68.868 -0.381 0.000 0.900 1333 T HN 0.473 nan 8.240 nan 0.000 0.503 1334 K N 0.937 121.269 120.400 -0.113 0.000 3.077 1334 K HA -0.223 4.101 4.320 0.006 0.000 0.264 1334 K C 0.583 177.122 176.600 -0.101 0.000 1.008 1334 K CA 0.545 56.664 56.287 -0.279 0.000 0.740 1334 K CB -1.216 30.748 32.500 -0.893 0.000 1.273 1334 K HN 0.521 nan 8.250 nan 0.000 0.477 1335 E N 0.210 120.417 120.200 0.012 0.000 2.285 1335 E HA -0.057 4.297 4.350 0.006 0.000 0.194 1335 E C 0.674 177.350 176.600 0.126 0.000 0.997 1335 E CA 0.478 56.908 56.400 0.050 0.000 0.845 1335 E CB 0.226 29.941 29.700 0.025 0.000 0.782 1335 E HN 0.274 nan 8.360 nan 0.000 0.491 1336 R N 0.886 121.500 120.500 0.189 0.000 2.574 1336 R HA 0.280 4.624 4.340 0.006 0.000 0.288 1336 R C -1.685 174.783 176.300 0.281 0.000 1.004 1336 R CA -0.719 55.512 56.100 0.219 0.000 0.895 1336 R CB 1.259 31.642 30.300 0.139 0.000 1.191 1336 R HN -0.052 nan 8.270 nan 0.000 0.444 1337 L N 3.662 124.998 121.223 0.190 0.000 2.290 1337 L HA 0.314 4.658 4.340 0.006 0.000 0.284 1337 L C 0.334 177.192 176.870 -0.021 0.000 1.078 1337 L CA 0.556 55.366 54.840 -0.050 0.000 0.815 1337 L CB 1.662 43.522 42.059 -0.332 0.000 1.162 1337 L HN 0.810 nan 8.230 nan 0.000 0.435 1338 S N 0.803 116.468 115.700 -0.058 0.000 2.578 1338 S HA 0.121 4.595 4.470 0.006 0.000 0.231 1338 S C 0.679 175.249 174.600 -0.049 0.000 0.994 1338 S CA -0.045 58.142 58.200 -0.021 0.000 0.956 1338 S CB -0.122 63.084 63.200 0.010 0.000 0.870 1338 S HN 0.639 nan 8.310 nan 0.000 0.494 1339 S N 3.085 118.724 115.700 -0.103 0.000 2.519 1339 S HA 0.059 4.533 4.470 0.006 0.000 0.310 1339 S C 1.699 176.274 174.600 -0.040 0.000 1.201 1339 S CA -0.519 57.628 58.200 -0.089 0.000 1.179 1339 S CB 0.106 63.220 63.200 -0.143 0.000 1.104 1339 S HN 0.661 nan 8.310 nan 0.000 0.527 1340 R N 4.419 124.905 120.500 -0.024 0.000 2.113 1340 R HA -0.230 4.114 4.340 0.006 0.000 0.244 1340 R C 1.699 178.001 176.300 0.003 0.000 1.142 1340 R CA 2.117 58.212 56.100 -0.009 0.000 0.953 1340 R CB -0.609 29.687 30.300 -0.008 0.000 0.860 1340 R HN 0.664 nan 8.270 nan 0.000 0.438 1341 Q N 0.053 119.855 119.800 0.004 0.000 2.436 1341 Q HA -0.052 4.292 4.340 0.006 0.000 0.209 1341 Q C 2.106 178.147 176.000 0.069 0.000 0.965 1341 Q CA 1.007 56.824 55.803 0.024 0.000 0.910 1341 Q CB -0.058 28.686 28.738 0.010 0.000 0.980 1341 Q HN 0.463 nan 8.270 nan 0.000 0.491 1342 C N -0.013 119.328 119.300 0.068 0.000 2.432 1342 C HA 0.009 4.473 4.460 0.006 0.000 0.282 1342 C C 2.586 177.670 174.990 0.157 0.000 1.388 1342 C CA 0.688 59.801 59.018 0.159 0.000 1.777 1342 C CB -0.900 26.902 27.740 0.104 0.000 1.882 1342 C HN 0.626 nan 8.230 nan 0.000 0.520 1343 A N 0.517 123.380 122.820 0.072 0.000 1.858 1343 A HA 0.093 4.416 4.320 0.006 0.000 0.216 1343 A C 2.487 180.074 177.584 0.006 0.000 1.190 1343 A CA 2.086 54.133 52.037 0.017 0.000 0.617 1343 A CB -1.228 17.764 19.000 -0.014 0.000 0.827 1343 A HN 0.724 nan 8.150 nan 0.000 0.443 1344 A N -1.031 121.810 122.820 0.034 0.000 1.902 1344 A HA -0.038 4.286 4.320 0.006 0.000 0.217 1344 A C 2.036 179.661 177.584 0.067 0.000 1.181 1344 A CA 1.750 53.805 52.037 0.031 0.000 0.623 1344 A CB -0.759 18.265 19.000 0.039 0.000 0.818 1344 A HN 0.753 nan 8.150 nan 0.000 0.443 1345 F N 1.104 121.038 119.950 -0.028 0.000 2.026 1345 F HA -0.183 4.347 4.527 0.006 0.000 0.296 1345 F C 2.230 178.014 175.800 -0.027 0.000 1.133 1345 F CA 2.182 60.169 58.000 -0.023 0.000 1.188 1345 F CB -0.854 38.152 39.000 0.009 0.000 0.968 1345 F HN 0.020 nan 8.300 nan 0.000 0.476 1346 V N -0.294 119.406 119.914 -0.358 0.000 2.343 1346 V HA -0.281 3.843 4.120 0.006 0.000 0.247 1346 V C 2.738 178.626 176.094 -0.343 0.000 1.051 1346 V CA 1.972 63.985 62.300 -0.479 0.000 1.036 1346 V CB -1.215 30.461 31.823 -0.246 0.000 0.654 1346 V HN 0.559 nan 8.190 nan 0.000 0.451 1347 S N 0.390 115.959 115.700 -0.218 0.000 2.359 1347 S HA -0.173 4.300 4.470 0.006 0.000 0.224 1347 S C 2.101 176.611 174.600 -0.151 0.000 1.035 1347 S CA 1.963 60.056 58.200 -0.179 0.000 1.018 1347 S CB -0.730 62.399 63.200 -0.119 0.000 0.876 1347 S HN 0.647 nan 8.310 nan 0.000 0.448 1348 G N 0.743 109.466 108.800 -0.128 0.000 2.459 1348 G HA2 -0.155 3.809 3.960 0.006 0.000 0.217 1348 G HA3 -0.155 3.809 3.960 0.006 0.000 0.217 1348 G C 1.516 176.350 174.900 -0.110 0.000 1.183 1348 G CA 1.167 46.210 45.100 -0.095 0.000 0.776 1348 G HN 0.477 nan 8.290 nan 0.000 0.552 1349 V N 0.406 120.203 119.914 -0.195 0.000 2.295 1349 V HA -0.171 3.953 4.120 0.006 0.000 0.246 1349 V C 3.033 179.125 176.094 -0.003 0.000 1.049 1349 V CA 1.538 63.768 62.300 -0.118 0.000 1.024 1349 V CB -0.445 31.267 31.823 -0.185 0.000 0.648 1349 V HN 0.243 nan 8.190 nan 0.000 0.447 1350 V N 0.010 119.803 119.914 -0.202 0.000 2.307 1350 V HA -0.283 3.841 4.120 0.006 0.000 0.245 1350 V C 2.449 178.542 176.094 -0.002 0.000 1.045 1350 V CA 2.394 64.499 62.300 -0.326 0.000 1.024 1350 V CB -0.668 30.795 31.823 -0.600 0.000 0.651 1350 V HN 0.577 nan 8.190 nan 0.000 0.449 1351 K N -0.021 120.377 120.400 -0.004 0.000 2.032 1351 K HA -0.261 4.063 4.320 0.006 0.000 0.209 1351 K C 1.862 178.552 176.600 0.150 0.000 1.048 1351 K CA 2.184 58.525 56.287 0.091 0.000 0.927 1351 K CB -0.316 32.205 32.500 0.034 0.000 0.712 1351 K HN 0.434 nan 8.250 nan 0.000 0.441 1352 D N 0.360 120.829 120.400 0.115 0.000 2.117 1352 D HA -0.147 4.496 4.640 0.006 0.000 0.197 1352 D C 1.814 178.254 176.300 0.234 0.000 0.987 1352 D CA 1.503 55.584 54.000 0.134 0.000 0.829 1352 D CB -0.270 40.584 40.800 0.090 0.000 0.961 1352 D HN 0.399 nan 8.370 nan 0.000 0.460 1353 A N 0.227 123.258 122.820 0.352 0.000 1.898 1353 A HA -0.149 4.175 4.320 0.006 0.000 0.216 1353 A C 2.057 180.055 177.584 0.689 0.000 1.181 1353 A CA 0.815 53.180 52.037 0.547 0.000 0.620 1353 A CB -0.812 18.644 19.000 0.761 0.000 0.819 1353 A HN 0.193 nan 8.150 nan 0.000 0.442 1354 F N 0.014 120.202 119.950 0.396 0.000 2.146 1354 F HA -0.069 4.462 4.527 0.006 0.000 0.298 1354 F C 1.836 177.684 175.800 0.081 0.000 1.096 1354 F CA 0.947 58.998 58.000 0.084 0.000 1.275 1354 F CB -0.355 38.629 39.000 -0.026 0.000 1.008 1354 F HN 0.222 nan 8.300 nan 0.000 0.480 1355 I N -0.282 120.333 120.570 0.074 0.000 2.315 1355 I HA -0.190 3.984 4.170 0.006 0.000 0.248 1355 I C 2.149 178.267 176.117 0.002 0.000 1.117 1355 I CA 1.144 62.414 61.300 -0.050 0.000 1.404 1355 I CB -0.783 37.225 38.000 0.014 0.000 1.071 1355 I HN 0.185 nan 8.210 nan 0.000 0.419 1356 L N -0.472 120.816 121.223 0.110 0.000 2.056 1356 L HA -0.184 4.160 4.340 0.006 0.000 0.207 1356 L C 2.212 179.159 176.870 0.127 0.000 1.078 1356 L CA 1.962 56.871 54.840 0.115 0.000 0.749 1356 L CB -1.248 40.913 42.059 0.168 0.000 0.901 1356 L HN 0.525 nan 8.230 nan 0.000 0.433 1357 W N -0.542 120.774 121.300 0.027 0.000 2.358 1357 W HA -0.234 4.430 4.660 0.006 0.000 0.303 1357 W C 2.190 178.611 176.519 -0.164 0.000 1.208 1357 W CA 1.417 58.768 57.345 0.011 0.000 1.274 1357 W CB -0.191 29.324 29.460 0.093 0.000 1.138 1357 W HN 0.156 nan 8.180 nan 0.000 0.515 1358 L N 1.221 122.373 121.223 -0.118 0.000 2.012 1358 L HA -0.266 4.078 4.340 0.006 0.000 0.210 1358 L C 1.975 178.635 176.870 -0.350 0.000 1.073 1358 L CA 2.248 56.805 54.840 -0.472 0.000 0.748 1358 L CB -1.698 39.910 42.059 -0.752 0.000 0.891 1358 L HN 0.151 nan 8.230 nan 0.000 0.431 1359 N N -1.165 117.458 118.700 -0.128 0.000 2.289 1359 N HA -0.190 4.554 4.740 0.006 0.000 0.184 1359 N C 1.145 176.605 175.510 -0.084 0.000 1.016 1359 N CA 0.715 53.759 53.050 -0.010 0.000 0.872 1359 N CB -0.022 38.464 38.487 -0.001 0.000 0.973 1359 N HN 0.551 nan 8.380 nan 0.000 0.433 1360 Q N -0.048 119.642 119.800 -0.184 0.000 2.247 1360 Q HA 0.127 4.471 4.340 0.006 0.000 0.204 1360 Q C -0.404 175.399 176.000 -0.329 0.000 0.872 1360 Q CA 0.218 55.903 55.803 -0.197 0.000 0.951 1360 Q CB 0.398 29.049 28.738 -0.145 0.000 1.099 1360 Q HN 0.312 nan 8.270 nan 0.000 0.501 1361 N N -0.605 117.801 118.700 -0.490 0.000 2.672 1361 N HA 0.087 4.830 4.740 0.006 0.000 0.295 1361 N C 0.461 175.725 175.510 -0.409 0.000 1.924 1361 N CA -0.010 52.691 53.050 -0.581 0.000 0.851 1361 N CB 1.300 39.064 38.487 -1.205 0.000 1.281 1361 N HN -0.146 nan 8.380 nan 0.000 0.494 1362 V N 0.262 120.057 119.914 -0.199 0.000 2.278 1362 V HA -0.376 3.748 4.120 0.006 0.000 0.251 1362 V C 2.493 178.563 176.094 -0.040 0.000 1.062 1362 V CA 2.062 64.335 62.300 -0.045 0.000 1.038 1362 V CB -0.384 31.454 31.823 0.024 0.000 0.646 1362 V HN 0.617 nan 8.190 nan 0.000 0.447 1363 Q N -0.293 119.469 119.800 -0.064 0.000 2.002 1363 Q HA -0.246 4.098 4.340 0.006 0.000 0.204 1363 Q C 2.285 178.263 176.000 -0.036 0.000 0.988 1363 Q CA 2.291 58.075 55.803 -0.032 0.000 0.843 1363 Q CB -0.353 28.367 28.738 -0.029 0.000 0.908 1363 Q HN 0.634 nan 8.270 nan 0.000 0.420 1364 A N 0.459 123.239 122.820 -0.067 0.000 1.972 1364 A HA -0.097 4.227 4.320 0.006 0.000 0.219 1364 A C 2.214 179.775 177.584 -0.037 0.000 1.169 1364 A CA 1.616 53.652 52.037 -0.002 0.000 0.635 1364 A CB -0.851 18.197 19.000 0.079 0.000 0.810 1364 A HN 0.576 nan 8.150 nan 0.000 0.446 1365 A N -0.059 122.648 122.820 -0.189 0.000 1.877 1365 A HA -0.172 4.151 4.320 0.006 0.000 0.216 1365 A C 1.906 179.352 177.584 -0.231 0.000 1.186 1365 A CA 1.622 53.426 52.037 -0.388 0.000 0.620 1365 A CB -0.543 17.962 19.000 -0.825 0.000 0.822 1365 A HN 0.614 nan 8.150 nan 0.000 0.443 1366 E N -0.198 120.001 120.200 -0.001 0.000 2.153 1366 E HA -0.143 4.211 4.350 0.006 0.000 0.194 1366 E C 1.925 178.548 176.600 0.038 0.000 0.988 1366 E CA 1.017 57.491 56.400 0.124 0.000 0.811 1366 E CB -0.276 29.497 29.700 0.123 0.000 0.746 1366 E HN 0.630 nan 8.360 nan 0.000 0.466 1367 L N 0.426 121.650 121.223 0.002 0.000 2.056 1367 L HA -0.195 4.149 4.340 0.006 0.000 0.207 1367 L C 2.423 179.266 176.870 -0.045 0.000 1.078 1367 L CA 0.880 55.717 54.840 -0.005 0.000 0.749 1367 L CB -0.347 41.719 42.059 0.011 0.000 0.901 1367 L HN 0.179 nan 8.230 nan 0.000 0.433 1368 L N -0.409 120.757 121.223 -0.094 0.000 2.046 1368 L HA -0.199 4.144 4.340 0.006 0.000 0.208 1368 L C 2.897 179.666 176.870 -0.169 0.000 1.077 1368 L CA 1.196 55.910 54.840 -0.211 0.000 0.747 1368 L CB -0.717 41.162 42.059 -0.300 0.000 0.896 1368 L HN 0.236 nan 8.230 nan 0.000 0.432 1369 A N -0.176 122.593 122.820 -0.086 0.000 1.883 1369 A HA -0.292 4.031 4.320 0.006 0.000 0.217 1369 A C 2.277 179.864 177.584 0.004 0.000 1.186 1369 A CA 2.048 54.093 52.037 0.013 0.000 0.624 1369 A CB -0.617 18.493 19.000 0.183 0.000 0.822 1369 A HN 0.505 nan 8.150 nan 0.000 0.444 1370 E N -0.734 119.468 120.200 0.004 0.000 2.110 1370 E HA -0.237 4.117 4.350 0.006 0.000 0.193 1370 E C 2.009 178.600 176.600 -0.016 0.000 0.988 1370 E CA 1.412 57.813 56.400 0.001 0.000 0.804 1370 E CB -0.222 29.481 29.700 0.005 0.000 0.745 1370 E HN 0.677 nan 8.360 nan 0.000 0.458 1371 M N 0.182 119.755 119.600 -0.044 0.000 2.117 1371 M HA -0.154 4.330 4.480 0.006 0.000 0.262 1371 M C 2.185 178.456 176.300 -0.048 0.000 1.065 1371 M CA 1.872 57.140 55.300 -0.054 0.000 1.114 1371 M CB -0.110 32.426 32.600 -0.107 0.000 1.361 1371 M HN 0.220 nan 8.290 nan 0.000 0.408 1372 A N 0.607 123.388 122.820 -0.064 0.000 1.897 1372 A HA -0.067 4.257 4.320 0.006 0.000 0.215 1372 A C 1.939 179.523 177.584 0.001 0.000 1.181 1372 A CA 1.329 53.347 52.037 -0.031 0.000 0.620 1372 A CB -0.815 18.165 19.000 -0.034 0.000 0.821 1372 A HN 0.600 nan 8.150 nan 0.000 0.443 1373 I N 0.778 121.350 120.570 0.003 0.000 2.202 1373 I HA -0.243 3.931 4.170 0.006 0.000 0.242 1373 I C 2.876 178.999 176.117 0.010 0.000 1.091 1373 I CA 1.614 62.920 61.300 0.011 0.000 1.368 1373 I CB -0.315 37.693 38.000 0.012 0.000 1.058 1373 I HN 0.495 nan 8.210 nan 0.000 0.410 1374 S N -0.443 115.261 115.700 0.006 0.000 2.399 1374 S HA -0.200 4.274 4.470 0.006 0.000 0.231 1374 S C 2.121 176.729 174.600 0.013 0.000 1.022 1374 S CA 1.459 59.664 58.200 0.008 0.000 0.983 1374 S CB -0.560 62.644 63.200 0.007 0.000 0.803 1374 S HN 0.444 nan 8.310 nan 0.000 0.480 1375 S N 1.892 117.601 115.700 0.015 0.000 2.383 1375 S HA 0.089 4.563 4.470 0.006 0.000 0.227 1375 S C 2.100 176.715 174.600 0.026 0.000 1.026 1375 S CA 1.048 59.263 58.200 0.024 0.000 0.981 1375 S CB -0.850 62.369 63.200 0.032 0.000 0.818 1375 S HN 0.779 nan 8.310 nan 0.000 0.472 1376 A N 1.014 123.848 122.820 0.023 0.000 1.930 1376 A HA -0.079 4.245 4.320 0.006 0.000 0.217 1376 A C 2.168 179.763 177.584 0.017 0.000 1.175 1376 A CA 1.453 53.503 52.037 0.022 0.000 0.627 1376 A CB -0.652 18.361 19.000 0.021 0.000 0.815 1376 A HN 0.738 nan 8.150 nan 0.000 0.443 1377 Q N -0.967 118.841 119.800 0.014 0.000 2.123 1377 Q HA -0.121 4.223 4.340 0.006 0.000 0.199 1377 Q C 2.318 178.326 176.000 0.012 0.000 0.966 1377 Q CA 1.248 57.057 55.803 0.011 0.000 0.845 1377 Q CB -0.199 28.545 28.738 0.009 0.000 0.907 1377 Q HN 0.700 nan 8.270 nan 0.000 0.439 1378 R N 1.356 121.864 120.500 0.014 0.000 2.073 1378 R HA -0.145 4.199 4.340 0.006 0.000 0.234 1378 R C 2.332 178.642 176.300 0.016 0.000 1.134 1378 R CA 1.460 57.569 56.100 0.015 0.000 0.952 1378 R CB -0.080 30.231 30.300 0.018 0.000 0.850 1378 R HN 0.070 nan 8.270 nan 0.000 0.433 1379 R N -0.030 120.482 120.500 0.020 0.000 2.096 1379 R HA -0.106 4.238 4.340 0.006 0.000 0.235 1379 R C 2.233 178.543 176.300 0.016 0.000 1.127 1379 R CA 1.814 57.927 56.100 0.021 0.000 0.968 1379 R CB -0.099 30.217 30.300 0.026 0.000 0.861 1379 R HN 0.291 nan 8.270 nan 0.000 0.440 1380 M N -0.455 119.153 119.600 0.014 0.000 2.123 1380 M HA -0.101 4.383 4.480 0.006 0.000 0.263 1380 M C 2.287 178.593 176.300 0.009 0.000 1.069 1380 M CA 1.595 56.902 55.300 0.011 0.000 1.133 1380 M CB -0.138 32.467 32.600 0.009 0.000 1.356 1380 M HN 0.073 nan 8.290 nan 0.000 0.415 1381 R N 0.185 120.690 120.500 0.009 0.000 2.120 1381 R HA -0.098 4.246 4.340 0.006 0.000 0.234 1381 R C 2.298 178.603 176.300 0.008 0.000 1.123 1381 R CA 1.422 57.527 56.100 0.008 0.000 0.975 1381 R CB -0.548 29.757 30.300 0.008 0.000 0.866 1381 R HN 0.385 nan 8.270 nan 0.000 0.446 1382 A N 1.520 124.346 122.820 0.010 0.000 1.877 1382 A HA 0.017 4.341 4.320 0.006 0.000 0.216 1382 A C 1.438 179.028 177.584 0.010 0.000 1.186 1382 A CA 1.365 53.408 52.037 0.011 0.000 0.620 1382 A CB -0.408 18.600 19.000 0.013 0.000 0.822 1382 A HN 0.389 nan 8.150 nan 0.000 0.443 1383 A N 0.000 122.826 122.820 0.010 0.000 2.254 1383 A HA 0.000 4.324 4.320 0.006 0.000 0.244 1383 A CA 0.000 52.042 52.037 0.009 0.000 0.836 1383 A CB 0.000 19.006 19.000 0.009 0.000 0.831 1383 A HN 0.000 nan 8.150 nan 0.000 0.486