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 2oec_1_F DATA FIRST_RESID 1004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRRFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNAET MXXXESHAVK IVVEAARRLL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1004 S HA 0.000 nan 4.470 nan 0.000 0.327 1004 S C 0.000 174.586 174.600 -0.024 0.000 1.055 1004 S CA 0.000 58.172 58.200 -0.046 0.000 1.107 1004 S CB 0.000 63.186 63.200 -0.024 0.000 0.593 1005 D N 2.213 122.607 120.400 -0.008 0.000 2.347 1005 D HA 0.144 4.792 4.640 0.014 0.000 0.215 1005 D C 0.524 176.837 176.300 0.021 0.000 0.976 1005 D CA 0.840 54.844 54.000 0.007 0.000 0.884 1005 D CB 0.327 41.134 40.800 0.010 0.000 0.915 1005 D HN 0.442 nan 8.370 nan 0.000 0.526 1006 V N -3.029 116.894 119.914 0.014 0.000 3.102 1006 V HA 0.371 4.499 4.120 0.014 0.000 0.312 1006 V C 0.583 176.699 176.094 0.037 0.000 1.135 1006 V CA -1.073 61.257 62.300 0.049 0.000 1.022 1006 V CB 1.617 33.467 31.823 0.045 0.000 1.056 1006 V HN -0.158 nan 8.190 nan 0.000 0.436 1007 F N 0.396 120.309 119.950 -0.061 0.000 2.367 1007 F HA 0.136 4.672 4.527 0.014 0.000 0.298 1007 F C 1.735 177.328 175.800 -0.345 0.000 1.094 1007 F CA 2.069 59.954 58.000 -0.191 0.000 1.409 1007 F CB 0.099 38.972 39.000 -0.211 0.000 1.064 1007 F HN 0.820 nan 8.300 nan 0.000 0.528 1008 H N -1.434 117.600 119.070 -0.059 0.000 2.426 1008 H HA 0.238 4.802 4.556 0.014 0.000 0.286 1008 H C 2.056 177.312 175.328 -0.120 0.000 0.990 1008 H CA 0.891 56.872 56.048 -0.111 0.000 1.237 1008 H CB -0.230 29.488 29.762 -0.074 0.000 1.466 1008 H HN 0.044 nan 8.280 nan 0.000 0.525 1009 L N -0.092 121.115 121.223 -0.026 0.000 2.201 1009 L HA 0.079 4.427 4.340 0.014 0.000 0.212 1009 L C 1.097 178.042 176.870 0.123 0.000 1.105 1009 L CA 0.923 55.779 54.840 0.027 0.000 0.775 1009 L CB -0.471 41.568 42.059 -0.034 0.000 0.913 1009 L HN 0.599 nan 8.230 nan 0.000 0.440 1010 G N 1.101 109.884 108.800 -0.028 0.000 2.225 1010 G HA2 -0.262 3.706 3.960 0.014 0.000 0.264 1010 G HA3 -0.262 3.706 3.960 0.014 0.000 0.264 1010 G C -0.184 174.747 174.900 0.051 0.000 1.060 1010 G CA 0.027 45.105 45.100 -0.038 0.000 0.833 1010 G HN 0.239 nan 8.290 nan 0.000 0.498 1011 L N -0.685 120.551 121.223 0.023 0.000 2.323 1011 L HA 0.802 5.150 4.340 0.014 0.000 0.265 1011 L C 0.493 177.367 176.870 0.008 0.000 1.012 1011 L CA -0.998 53.855 54.840 0.023 0.000 0.820 1011 L CB 2.342 44.418 42.059 0.029 0.000 1.334 1011 L HN 0.138 nan 8.230 nan 0.000 0.427 1012 T N -0.587 113.969 114.554 0.005 0.000 2.932 1012 T HA 0.228 4.586 4.350 0.014 0.000 0.289 1012 T C 0.675 175.377 174.700 0.003 0.000 1.039 1012 T CA -0.651 61.450 62.100 0.002 0.000 1.024 1012 T CB 2.201 71.067 68.868 -0.003 0.000 1.090 1012 T HN 0.430 nan 8.240 nan 0.000 0.496 1013 K N 1.305 121.708 120.400 0.003 0.000 2.074 1013 K HA -0.163 4.165 4.320 0.014 0.000 0.209 1013 K C 2.130 178.729 176.600 -0.002 0.000 1.048 1013 K CA 1.448 57.736 56.287 0.002 0.000 0.926 1013 K CB -0.184 32.318 32.500 0.003 0.000 0.713 1013 K HN 0.449 nan 8.250 nan 0.000 0.444 1014 N N 0.978 119.676 118.700 -0.004 0.000 2.104 1014 N HA -0.184 4.564 4.740 0.014 0.000 0.190 1014 N C 0.960 176.464 175.510 -0.010 0.000 1.024 1014 N CA 1.788 54.834 53.050 -0.007 0.000 0.853 1014 N CB -0.211 38.270 38.487 -0.009 0.000 1.008 1014 N HN 0.162 nan 8.380 nan 0.000 0.424 1015 D N -0.294 120.100 120.400 -0.010 0.000 2.190 1015 D HA -0.148 4.500 4.640 0.014 0.000 0.200 1015 D C 1.751 178.044 176.300 -0.011 0.000 0.992 1015 D CA 0.761 54.752 54.000 -0.015 0.000 0.854 1015 D CB -0.198 40.595 40.800 -0.012 0.000 0.936 1015 D HN 0.291 nan 8.370 nan 0.000 0.462 1016 L N 0.283 121.502 121.223 -0.007 0.000 2.156 1016 L HA -0.040 4.308 4.340 0.014 0.000 0.208 1016 L C 0.763 177.628 176.870 -0.009 0.000 1.095 1016 L CA 0.725 55.561 54.840 -0.007 0.000 0.770 1016 L CB -0.302 41.751 42.059 -0.010 0.000 0.914 1016 L HN -0.034 nan 8.230 nan 0.000 0.439 1017 Q N -0.280 119.515 119.800 -0.009 0.000 2.478 1017 Q HA -0.231 4.117 4.340 0.014 0.000 0.286 1017 Q C 1.110 177.104 176.000 -0.010 0.000 1.299 1017 Q CA 0.888 56.686 55.803 -0.009 0.000 0.826 1017 Q CB -2.381 26.353 28.738 -0.008 0.000 1.199 1017 Q HN 0.672 nan 8.270 nan 0.000 0.451 1018 G N -1.667 107.126 108.800 -0.012 0.000 2.143 1018 G HA2 -0.247 3.722 3.960 0.014 0.000 0.248 1018 G HA3 -0.247 3.722 3.960 0.014 0.000 0.248 1018 G C 0.345 175.232 174.900 -0.021 0.000 0.991 1018 G CA 0.540 45.632 45.100 -0.014 0.000 0.689 1018 G HN 1.255 nan 8.290 nan 0.000 0.522 1019 A N -0.387 122.417 122.820 -0.026 0.000 2.477 1019 A HA 0.596 4.924 4.320 0.014 0.000 0.246 1019 A C 1.159 178.707 177.584 -0.061 0.000 1.078 1019 A CA 1.055 53.068 52.037 -0.040 0.000 0.770 1019 A CB 0.265 19.242 19.000 -0.038 0.000 1.011 1019 A HN 0.555 nan 8.150 nan 0.000 0.494 1020 Q N 1.441 121.196 119.800 -0.076 0.000 2.245 1020 Q HA 0.275 4.623 4.340 0.014 0.000 0.236 1020 Q C -0.233 175.667 176.000 -0.167 0.000 0.842 1020 Q CA 0.006 55.750 55.803 -0.099 0.000 0.945 1020 Q CB 0.622 29.322 28.738 -0.064 0.000 1.122 1020 Q HN 0.722 nan 8.270 nan 0.000 0.506 1021 L N 0.823 121.951 121.223 -0.157 0.000 2.346 1021 L HA 0.791 5.139 4.340 0.014 0.000 0.274 1021 L C -1.609 175.134 176.870 -0.210 0.000 1.007 1021 L CA -0.664 54.056 54.840 -0.200 0.000 0.818 1021 L CB 1.756 43.746 42.059 -0.115 0.000 1.284 1021 L HN -0.052 nan 8.230 nan 0.000 0.424 1022 A N 5.474 128.120 122.820 -0.289 0.000 2.393 1022 A HA 0.691 5.020 4.320 0.014 0.000 0.306 1022 A C -1.049 176.497 177.584 -0.063 0.000 1.050 1022 A CA -0.565 51.367 52.037 -0.174 0.000 0.724 1022 A CB 1.159 20.026 19.000 -0.223 0.000 1.248 1022 A HN 0.657 nan 8.150 nan 0.000 0.424 1023 I N 2.563 123.132 120.570 -0.001 0.000 2.331 1023 I HA 0.395 4.573 4.170 0.014 0.000 0.292 1023 I C -0.288 175.872 176.117 0.071 0.000 0.998 1023 I CA -0.733 60.586 61.300 0.033 0.000 1.267 1023 I CB 1.704 39.713 38.000 0.016 0.000 1.386 1023 I HN 0.456 nan 8.210 nan 0.000 0.476 1024 V N 5.567 125.541 119.914 0.099 0.000 2.305 1024 V HA 0.523 4.651 4.120 0.014 0.000 0.275 1024 V C -2.591 173.553 176.094 0.083 0.000 1.020 1024 V CA -1.899 60.472 62.300 0.119 0.000 0.811 1024 V CB 0.546 32.478 31.823 0.181 0.000 1.031 1024 V HN 0.458 nan 8.190 nan 0.000 0.439 1025 P HA 0.390 nan 4.420 nan 0.000 0.279 1025 P C 0.857 178.185 177.300 0.046 0.000 1.276 1025 P CA 0.169 63.294 63.100 0.041 0.000 0.801 1025 P CB 1.868 33.580 31.700 0.019 0.000 1.127 1026 G N -0.788 108.027 108.800 0.026 0.000 2.437 1026 G HA2 -0.044 3.924 3.960 0.014 0.000 0.212 1026 G HA3 -0.044 3.924 3.960 0.014 0.000 0.212 1026 G C 0.188 175.087 174.900 -0.001 0.000 1.174 1026 G CA 0.397 45.507 45.100 0.016 0.000 0.811 1026 G HN 0.514 nan 8.290 nan 0.000 0.537 1027 D N 1.009 121.404 120.400 -0.009 0.000 2.343 1027 D HA 0.209 4.857 4.640 0.014 0.000 0.255 1027 D C -0.921 175.372 176.300 -0.012 0.000 1.187 1027 D CA -2.405 51.582 54.000 -0.022 0.000 0.875 1027 D CB 1.946 42.729 40.800 -0.028 0.000 1.136 1027 D HN 0.020 nan 8.370 nan 0.000 0.469 1028 P HA -0.163 nan 4.420 nan 0.000 0.218 1028 P C 0.467 177.768 177.300 0.002 0.000 1.148 1028 P CA 1.049 64.158 63.100 0.015 0.000 0.822 1028 P CB 0.301 32.005 31.700 0.008 0.000 0.784 1029 E N -0.395 119.794 120.200 -0.018 0.000 2.516 1029 E HA -0.099 4.259 4.350 0.014 0.000 0.199 1029 E C 1.848 178.410 176.600 -0.062 0.000 1.069 1029 E CA 0.246 56.628 56.400 -0.031 0.000 0.876 1029 E CB -0.316 29.367 29.700 -0.029 0.000 0.843 1029 E HN 0.420 nan 8.360 nan 0.000 0.530 1030 R N -0.914 119.545 120.500 -0.069 0.000 2.509 1030 R HA 0.155 4.503 4.340 0.014 0.000 0.297 1030 R C 1.190 177.408 176.300 -0.137 0.000 0.951 1030 R CA -0.021 56.021 56.100 -0.098 0.000 1.103 1030 R CB 0.121 30.382 30.300 -0.065 0.000 1.283 1030 R HN -0.068 nan 8.270 nan 0.000 0.534 1031 V N 2.006 121.841 119.914 -0.133 0.000 2.261 1031 V HA -0.260 3.868 4.120 0.014 0.000 0.246 1031 V C 2.456 178.286 176.094 -0.440 0.000 1.047 1031 V CA 2.452 64.653 62.300 -0.164 0.000 1.015 1031 V CB -0.468 31.341 31.823 -0.024 0.000 0.642 1031 V HN 0.510 nan 8.190 nan 0.000 0.446 1032 E N -0.070 119.689 120.200 -0.736 0.000 2.118 1032 E HA -0.277 4.081 4.350 0.014 0.000 0.195 1032 E C 2.191 178.374 176.600 -0.695 0.000 0.992 1032 E CA 1.220 56.851 56.400 -1.282 0.000 0.804 1032 E CB 0.022 29.086 29.700 -1.061 0.000 0.741 1032 E HN 0.383 nan 8.360 nan 0.000 0.458 1033 K N 0.444 120.607 120.400 -0.395 0.000 2.097 1033 K HA -0.073 4.255 4.320 0.014 0.000 0.205 1033 K C 2.159 178.639 176.600 -0.200 0.000 1.050 1033 K CA 0.820 56.959 56.287 -0.247 0.000 0.938 1033 K CB -0.324 32.079 32.500 -0.162 0.000 0.718 1033 K HN 0.330 nan 8.250 nan 0.000 0.442 1034 I N 0.778 121.233 120.570 -0.191 0.000 2.286 1034 I HA -0.206 3.973 4.170 0.014 0.000 0.245 1034 I C 2.320 178.359 176.117 -0.130 0.000 1.104 1034 I CA 0.972 62.195 61.300 -0.128 0.000 1.397 1034 I CB -0.362 37.585 38.000 -0.089 0.000 1.072 1034 I HN 0.002 nan 8.210 nan 0.000 0.417 1035 A N 0.848 123.553 122.820 -0.193 0.000 1.978 1035 A HA -0.187 4.142 4.320 0.014 0.000 0.220 1035 A C 2.406 179.929 177.584 -0.102 0.000 1.170 1035 A CA 1.859 53.821 52.037 -0.125 0.000 0.636 1035 A CB -0.763 18.139 19.000 -0.164 0.000 0.810 1035 A HN 0.442 nan 8.150 nan 0.000 0.448 1036 A N -0.882 121.831 122.820 -0.177 0.000 2.209 1036 A HA 0.231 4.559 4.320 0.014 0.000 0.212 1036 A C 1.814 179.358 177.584 -0.068 0.000 1.158 1036 A CA 0.756 52.725 52.037 -0.113 0.000 0.742 1036 A CB -0.436 18.475 19.000 -0.149 0.000 0.790 1036 A HN 0.478 nan 8.150 nan 0.000 0.472 1037 L N -1.386 119.797 121.223 -0.067 0.000 2.492 1037 L HA 0.149 4.497 4.340 0.014 0.000 0.223 1037 L C 0.948 177.801 176.870 -0.030 0.000 1.132 1037 L CA 0.219 55.029 54.840 -0.049 0.000 0.850 1037 L CB -0.195 41.832 42.059 -0.054 0.000 0.966 1037 L HN 0.450 nan 8.230 nan 0.000 0.454 1038 M N -1.736 117.853 119.600 -0.018 0.000 2.861 1038 M HA 0.308 4.796 4.480 0.014 0.000 0.294 1038 M C -0.728 175.579 176.300 0.012 0.000 1.185 1038 M CA -0.904 54.395 55.300 -0.002 0.000 0.809 1038 M CB 1.191 33.794 32.600 0.004 0.000 1.722 1038 M HN -0.226 nan 8.290 nan 0.000 0.496 1039 D N 0.996 121.406 120.400 0.017 0.000 2.313 1039 D HA 0.168 4.817 4.640 0.014 0.000 0.247 1039 D C -0.420 175.905 176.300 0.041 0.000 1.094 1039 D CA 0.060 54.074 54.000 0.023 0.000 0.925 1039 D CB 0.627 41.436 40.800 0.015 0.000 1.188 1039 D HN 0.411 nan 8.370 nan 0.000 0.430 1040 K N -0.073 120.354 120.400 0.044 0.000 3.311 1040 K HA -0.142 4.186 4.320 0.014 0.000 0.270 1040 K C -2.241 174.415 176.600 0.093 0.000 0.927 1040 K CA 0.094 56.414 56.287 0.055 0.000 0.706 1040 K CB -1.278 31.243 32.500 0.034 0.000 1.418 1040 K HN 0.368 nan 8.250 nan 0.000 0.459 1041 P HA 0.052 nan 4.420 nan 0.000 0.271 1041 P C -0.320 177.161 177.300 0.302 0.000 1.226 1041 P CA 0.021 63.293 63.100 0.287 0.000 0.765 1041 P CB 1.375 33.262 31.700 0.312 0.000 0.835 1042 V N 3.577 123.596 119.914 0.175 0.000 2.577 1042 V HA 0.363 4.491 4.120 0.014 0.000 0.303 1042 V C -0.189 175.526 176.094 -0.633 0.000 1.042 1042 V CA -1.163 61.027 62.300 -0.184 0.000 0.872 1042 V CB 1.789 33.539 31.823 -0.122 0.000 0.998 1042 V HN 0.448 nan 8.190 nan 0.000 0.423 1043 K N 4.426 123.951 120.400 -1.458 0.000 2.382 1043 K HA 0.334 4.662 4.320 0.014 0.000 0.275 1043 K C 0.115 176.276 176.600 -0.732 0.000 1.009 1043 K CA -0.064 55.141 56.287 -1.803 0.000 0.970 1043 K CB 0.996 32.533 32.500 -1.605 0.000 0.934 1043 K HN 0.862 nan 8.250 nan 0.000 0.479 1044 L N 2.060 122.984 121.223 -0.499 0.000 2.519 1044 L HA 0.373 4.722 4.340 0.014 0.000 0.194 1044 L C 0.366 177.149 176.870 -0.145 0.000 1.072 1044 L CA 0.035 54.742 54.840 -0.223 0.000 0.845 1044 L CB 0.426 42.423 42.059 -0.102 0.000 1.138 1044 L HN 0.742 nan 8.230 nan 0.000 0.487 1045 A N -0.980 121.777 122.820 -0.106 0.000 2.601 1045 A HA 0.639 4.968 4.320 0.014 0.000 0.291 1045 A C -1.195 176.355 177.584 -0.056 0.000 1.075 1045 A CA -0.256 51.742 52.037 -0.064 0.000 0.671 1045 A CB 1.703 20.745 19.000 0.070 0.000 1.277 1045 A HN -0.134 nan 8.150 nan 0.000 0.417 1046 S N 0.625 116.193 115.700 -0.219 0.000 2.511 1046 S HA 0.549 5.027 4.470 0.014 0.000 0.233 1046 S C -1.633 172.736 174.600 -0.385 0.000 1.104 1046 S CA -0.473 57.632 58.200 -0.158 0.000 1.129 1046 S CB 0.031 63.179 63.200 -0.087 0.000 1.159 1046 S HN 0.712 nan 8.310 nan 0.000 0.451 1047 H N 3.230 122.369 119.070 0.116 0.000 2.600 1047 H HA 0.567 5.131 4.556 0.014 0.000 0.357 1047 H C 0.668 176.068 175.328 0.121 0.000 1.106 1047 H CA -0.590 55.522 56.048 0.107 0.000 1.193 1047 H CB 1.511 31.340 29.762 0.112 0.000 1.594 1047 H HN 0.687 nan 8.280 nan 0.000 0.526 1048 R N 0.622 121.206 120.500 0.141 0.000 3.750 1048 R HA -0.294 4.055 4.340 0.014 0.000 0.495 1048 R C 0.522 176.729 176.300 -0.155 0.000 0.241 1048 R CA 1.947 58.041 56.100 -0.010 0.000 1.551 1048 R CB -0.741 29.558 30.300 -0.000 0.000 0.956 1048 R HN 0.645 nan 8.270 nan 0.000 0.584 1049 E N 0.501 120.420 120.200 -0.468 0.000 2.489 1049 E HA 0.112 4.470 4.350 0.014 0.000 0.193 1049 E C -0.410 175.940 176.600 -0.417 0.000 1.057 1049 E CA 0.432 56.553 56.400 -0.465 0.000 0.866 1049 E CB 0.097 29.479 29.700 -0.530 0.000 0.916 1049 E HN 0.190 nan 8.360 nan 0.000 0.500 1050 F N 1.064 121.064 119.950 0.084 0.000 2.303 1050 F HA 0.333 4.868 4.527 0.012 0.000 0.368 1050 F C 0.188 176.047 175.800 0.099 0.000 1.105 1050 F CA -0.851 57.207 58.000 0.097 0.000 1.153 1050 F CB 0.851 39.925 39.000 0.124 0.000 1.362 1050 F HN -0.343 nan 8.300 nan 0.000 0.511 1051 T N 2.048 116.740 114.554 0.229 0.000 2.758 1051 T HA 0.491 4.850 4.350 0.014 0.000 0.285 1051 T C -0.175 174.680 174.700 0.260 0.000 0.981 1051 T CA -0.775 61.449 62.100 0.207 0.000 0.965 1051 T CB 0.913 69.890 68.868 0.182 0.000 0.927 1051 T HN 0.510 nan 8.240 nan 0.000 0.448 1052 S N 2.471 118.313 115.700 0.238 0.000 2.473 1052 S HA 0.747 5.225 4.470 0.014 0.000 0.307 1052 S C -1.407 173.331 174.600 0.229 0.000 1.094 1052 S CA -0.992 57.345 58.200 0.229 0.000 1.070 1052 S CB 1.102 64.389 63.200 0.146 0.000 1.019 1052 S HN 0.659 nan 8.310 nan 0.000 0.480 1053 W N 1.354 122.671 121.300 0.027 0.000 2.864 1053 W HA 0.629 5.297 4.660 0.013 0.000 0.343 1053 W C 0.245 176.768 176.519 0.008 0.000 1.109 1053 W CA -0.820 56.533 57.345 0.014 0.000 1.192 1053 W CB 1.768 31.233 29.460 0.009 0.000 1.426 1053 W HN 0.646 nan 8.180 nan 0.000 0.529 1054 R N 1.688 122.301 120.500 0.188 0.000 2.589 1054 R HA 0.873 5.221 4.340 0.014 0.000 0.293 1054 R C -0.699 175.695 176.300 0.156 0.000 0.963 1054 R CA -0.302 55.870 56.100 0.121 0.000 0.905 1054 R CB 1.517 31.840 30.300 0.038 0.000 1.144 1054 R HN 0.656 nan 8.270 nan 0.000 0.459 1055 A N 2.315 125.200 122.820 0.107 0.000 2.507 1055 A HA 0.525 4.853 4.320 0.014 0.000 0.284 1055 A C -1.527 176.085 177.584 0.046 0.000 1.281 1055 A CA -0.661 51.429 52.037 0.089 0.000 0.744 1055 A CB 1.770 20.820 19.000 0.083 0.000 1.332 1055 A HN 0.736 nan 8.150 nan 0.000 0.454 1056 E N -0.388 119.832 120.200 0.034 0.000 2.292 1056 E HA 0.564 4.922 4.350 0.014 0.000 0.272 1056 E C -2.404 174.201 176.600 0.010 0.000 0.881 1056 E CA -0.554 55.856 56.400 0.017 0.000 0.754 1056 E CB 1.813 31.522 29.700 0.015 0.000 1.201 1056 E HN 0.504 nan 8.360 nan 0.000 0.425 1057 L N 4.285 125.509 121.223 0.002 0.000 2.406 1057 L HA 0.378 4.726 4.340 0.014 0.000 0.272 1057 L C -1.059 175.808 176.870 -0.005 0.000 0.980 1057 L CA -0.041 54.797 54.840 -0.003 0.000 0.831 1057 L CB 1.479 43.533 42.059 -0.007 0.000 1.253 1057 L HN 0.702 nan 8.230 nan 0.000 0.406 1058 D N 4.484 124.880 120.400 -0.005 0.000 2.701 1058 D HA -0.201 4.448 4.640 0.014 0.000 0.235 1058 D C 1.138 177.435 176.300 -0.005 0.000 1.155 1058 D CA 1.604 55.601 54.000 -0.006 0.000 0.649 1058 D CB -0.980 39.815 40.800 -0.008 0.000 1.050 1058 D HN 1.208 nan 8.370 nan 0.000 0.425 1059 G N -0.736 108.062 108.800 -0.003 0.000 2.148 1059 G HA2 -0.367 3.601 3.960 0.014 0.000 0.254 1059 G HA3 -0.367 3.601 3.960 0.014 0.000 0.254 1059 G C 0.255 175.153 174.900 -0.003 0.000 0.981 1059 G CA 0.791 45.889 45.100 -0.002 0.000 0.670 1059 G HN 0.507 nan 8.290 nan 0.000 0.528 1060 K N 0.041 120.439 120.400 -0.005 0.000 2.259 1060 K HA 0.729 5.057 4.320 0.014 0.000 0.249 1060 K C 0.403 177.000 176.600 -0.006 0.000 0.942 1060 K CA -0.223 56.059 56.287 -0.007 0.000 0.816 1060 K CB 1.916 34.409 32.500 -0.012 0.000 1.155 1060 K HN 0.472 nan 8.250 nan 0.000 0.428 1061 A N 2.053 124.868 122.820 -0.008 0.000 2.450 1061 A HA 0.377 4.705 4.320 0.014 0.000 0.255 1061 A C -0.422 177.155 177.584 -0.011 0.000 1.096 1061 A CA -0.202 51.832 52.037 -0.005 0.000 0.778 1061 A CB 0.243 19.239 19.000 -0.007 0.000 1.031 1061 A HN 0.392 nan 8.150 nan 0.000 0.494 1062 V N 4.269 124.183 119.914 -0.001 0.000 2.709 1062 V HA 0.368 4.496 4.120 0.014 0.000 0.308 1062 V C -0.398 175.703 176.094 0.012 0.000 1.062 1062 V CA -0.636 61.659 62.300 -0.008 0.000 0.901 1062 V CB 1.855 33.675 31.823 -0.005 0.000 1.003 1062 V HN 0.758 nan 8.190 nan 0.000 0.425 1063 I N 4.125 124.693 120.570 -0.002 0.000 2.392 1063 I HA 0.485 4.663 4.170 0.014 0.000 0.295 1063 I C -0.346 175.800 176.117 0.047 0.000 0.985 1063 I CA -0.473 60.846 61.300 0.030 0.000 1.221 1063 I CB 1.964 39.968 38.000 0.007 0.000 1.366 1063 I HN 0.271 nan 8.210 nan 0.000 0.467 1064 V N 5.545 125.520 119.914 0.101 0.000 2.409 1064 V HA 0.411 4.539 4.120 0.014 0.000 0.291 1064 V C -0.353 175.828 176.094 0.145 0.000 1.020 1064 V CA -0.490 61.870 62.300 0.100 0.000 0.848 1064 V CB 1.965 33.835 31.823 0.079 0.000 0.990 1064 V HN 0.895 nan 8.190 nan 0.000 0.430 1065 C N 5.050 124.431 119.300 0.135 0.000 2.551 1065 C HA 0.698 5.167 4.460 0.014 0.000 0.332 1065 C C 0.467 175.562 174.990 0.175 0.000 1.139 1065 C CA -0.385 58.736 59.018 0.172 0.000 1.328 1065 C CB 1.119 28.961 27.740 0.171 0.000 1.903 1065 C HN 1.041 nan 8.230 nan 0.000 0.459 1066 S N 3.378 119.190 115.700 0.186 0.000 2.580 1066 S HA 0.381 4.859 4.470 0.014 0.000 0.274 1066 S C 0.942 175.682 174.600 0.233 0.000 1.329 1066 S CA 0.377 58.670 58.200 0.155 0.000 1.036 1066 S CB 1.354 64.613 63.200 0.097 0.000 0.919 1066 S HN 1.029 nan 8.310 nan 0.000 0.515 1067 T N -0.945 113.707 114.554 0.164 0.000 3.037 1067 T HA 0.511 4.869 4.350 0.014 0.000 0.252 1067 T C 1.222 175.976 174.700 0.090 0.000 1.073 1067 T CA 0.268 62.489 62.100 0.202 0.000 1.091 1067 T CB -0.969 67.971 68.868 0.120 0.000 0.935 1067 T HN 1.903 nan 8.240 nan 0.000 0.488 1068 G N 1.526 110.319 108.800 -0.012 0.000 2.828 1068 G HA2 -0.126 3.843 3.960 0.014 0.000 0.463 1068 G HA3 -0.126 3.843 3.960 0.014 0.000 0.463 1068 G C -0.582 174.297 174.900 -0.035 0.000 1.394 1068 G CA -0.521 44.530 45.100 -0.082 0.000 0.862 1068 G HN 0.647 nan 8.290 nan 0.000 0.540 1069 I N 2.186 122.727 120.570 -0.049 0.000 2.416 1069 I HA 0.513 4.691 4.170 0.014 0.000 0.288 1069 I C 1.116 177.223 176.117 -0.016 0.000 1.051 1069 I CA 1.150 62.432 61.300 -0.029 0.000 1.375 1069 I CB 0.516 38.490 38.000 -0.043 0.000 1.407 1069 I HN 1.960 nan 8.210 nan 0.000 0.516 1070 G N 3.930 112.728 108.800 -0.003 0.000 2.629 1070 G HA2 -0.073 3.896 3.960 0.014 0.000 0.686 1070 G HA3 -0.073 3.896 3.960 0.014 0.000 0.686 1070 G C 0.514 175.417 174.900 0.004 0.000 1.232 1070 G CA -0.486 44.614 45.100 -0.001 0.000 0.803 1070 G HN 0.899 nan 8.290 nan 0.000 0.638 1071 G N 0.365 109.165 108.800 -0.001 0.000 2.440 1071 G HA2 0.051 4.019 3.960 0.014 0.000 0.218 1071 G HA3 0.051 4.019 3.960 0.014 0.000 0.218 1071 G C 0.134 175.036 174.900 0.003 0.000 1.154 1071 G CA 2.108 47.208 45.100 -0.002 0.000 0.767 1071 G HN 0.685 nan 8.290 nan 0.000 0.552 1072 P HA -0.105 nan 4.420 nan 0.000 0.215 1072 P C 2.391 179.711 177.300 0.034 0.000 1.153 1072 P CA 2.263 65.358 63.100 -0.009 0.000 0.853 1072 P CB -0.146 31.543 31.700 -0.018 0.000 0.788 1073 S N -2.509 113.231 115.700 0.066 0.000 2.425 1073 S HA -0.056 4.422 4.470 0.014 0.000 0.225 1073 S C 1.905 176.637 174.600 0.221 0.000 1.024 1073 S CA 1.328 59.638 58.200 0.183 0.000 0.951 1073 S CB -1.806 61.460 63.200 0.110 0.000 0.796 1073 S HN 0.051 nan 8.310 nan 0.000 0.498 1074 T N 3.234 117.852 114.554 0.107 0.000 2.720 1074 T HA -0.126 4.232 4.350 0.014 0.000 0.268 1074 T C 2.310 177.005 174.700 -0.010 0.000 1.037 1074 T CA 1.920 64.054 62.100 0.057 0.000 1.144 1074 T CB -0.739 68.132 68.868 0.005 0.000 0.864 1074 T HN 0.779 nan 8.240 nan 0.000 0.444 1075 S N 1.186 116.884 115.700 -0.004 0.000 2.399 1075 S HA -0.024 4.454 4.470 0.014 0.000 0.231 1075 S C 2.079 176.667 174.600 -0.020 0.000 1.022 1075 S CA 0.704 58.902 58.200 -0.004 0.000 0.983 1075 S CB -0.729 62.552 63.200 0.135 0.000 0.803 1075 S HN 0.511 nan 8.310 nan 0.000 0.480 1076 I N 2.176 122.719 120.570 -0.044 0.000 2.163 1076 I HA -0.112 4.067 4.170 0.014 0.000 0.240 1076 I C 3.167 179.146 176.117 -0.229 0.000 1.081 1076 I CA 1.102 62.302 61.300 -0.166 0.000 1.353 1076 I CB -0.863 36.950 38.000 -0.310 0.000 1.054 1076 I HN 0.435 nan 8.210 nan 0.000 0.407 1077 A N 0.709 123.392 122.820 -0.227 0.000 1.873 1077 A HA -0.198 4.130 4.320 0.014 0.000 0.218 1077 A C 2.433 179.982 177.584 -0.059 0.000 1.193 1077 A CA 2.219 54.145 52.037 -0.185 0.000 0.629 1077 A CB -1.164 17.858 19.000 0.037 0.000 0.826 1077 A HN 0.244 nan 8.150 nan 0.000 0.447 1078 V N 0.249 120.090 119.914 -0.121 0.000 2.287 1078 V HA -0.283 3.845 4.120 0.014 0.000 0.248 1078 V C 2.665 178.662 176.094 -0.162 0.000 1.053 1078 V CA 2.612 64.720 62.300 -0.321 0.000 1.027 1078 V CB -0.859 30.580 31.823 -0.640 0.000 0.646 1078 V HN 0.797 nan 8.190 nan 0.000 0.447 1079 E N 0.777 120.911 120.200 -0.110 0.000 2.051 1079 E HA -0.244 4.115 4.350 0.014 0.000 0.192 1079 E C 2.074 178.694 176.600 0.033 0.000 0.991 1079 E CA 2.029 58.417 56.400 -0.020 0.000 0.799 1079 E CB -0.304 29.412 29.700 0.027 0.000 0.748 1079 E HN 0.691 nan 8.360 nan 0.000 0.449 1080 E N -0.111 120.099 120.200 0.016 0.000 2.112 1080 E HA -0.066 4.292 4.350 0.014 0.000 0.190 1080 E C 2.282 178.920 176.600 0.064 0.000 0.979 1080 E CA 0.784 57.204 56.400 0.033 0.000 0.814 1080 E CB -0.102 29.598 29.700 0.001 0.000 0.762 1080 E HN 0.300 nan 8.360 nan 0.000 0.460 1081 L N 0.794 122.081 121.223 0.106 0.000 2.042 1081 L HA -0.209 4.139 4.340 0.014 0.000 0.210 1081 L C 2.626 179.611 176.870 0.192 0.000 1.076 1081 L CA 1.081 56.022 54.840 0.168 0.000 0.749 1081 L CB -0.521 41.727 42.059 0.314 0.000 0.893 1081 L HN 0.153 nan 8.230 nan 0.000 0.432 1082 A N -0.392 122.595 122.820 0.278 0.000 1.883 1082 A HA -0.268 4.061 4.320 0.014 0.000 0.217 1082 A C 2.204 179.855 177.584 0.111 0.000 1.186 1082 A CA 1.671 53.843 52.037 0.225 0.000 0.624 1082 A CB -0.527 18.589 19.000 0.194 0.000 0.822 1082 A HN 0.488 nan 8.150 nan 0.000 0.444 1083 Q N -1.078 118.773 119.800 0.085 0.000 2.096 1083 Q HA -0.162 4.187 4.340 0.014 0.000 0.204 1083 Q C 1.729 177.757 176.000 0.047 0.000 0.982 1083 Q CA 1.264 57.102 55.803 0.058 0.000 0.850 1083 Q CB -0.309 28.460 28.738 0.052 0.000 0.901 1083 Q HN 0.474 nan 8.270 nan 0.000 0.422 1084 L N -1.110 120.142 121.223 0.048 0.000 2.456 1084 L HA -0.017 4.331 4.340 0.014 0.000 0.224 1084 L C 1.450 178.332 176.870 0.019 0.000 1.148 1084 L CA 1.954 56.812 54.840 0.030 0.000 0.825 1084 L CB -0.403 41.673 42.059 0.028 0.000 0.937 1084 L HN 0.471 nan 8.230 nan 0.000 0.450 1085 G N -2.029 106.786 108.800 0.025 0.000 2.205 1085 G HA2 -0.164 3.804 3.960 0.014 0.000 0.180 1085 G HA3 -0.164 3.804 3.960 0.014 0.000 0.180 1085 G C 0.347 175.234 174.900 -0.020 0.000 1.004 1085 G CA -0.380 44.725 45.100 0.008 0.000 0.670 1085 G HN 0.070 nan 8.290 nan 0.000 0.496 1086 I N 1.228 121.772 120.570 -0.043 0.000 2.556 1086 I HA 0.317 4.495 4.170 0.014 0.000 0.284 1086 I C 1.272 177.309 176.117 -0.133 0.000 1.114 1086 I CA 0.148 61.329 61.300 -0.197 0.000 1.418 1086 I CB 1.077 38.807 38.000 -0.450 0.000 1.394 1086 I HN 0.066 nan 8.210 nan 0.000 0.552 1087 R N 2.959 123.364 120.500 -0.158 0.000 2.394 1087 R HA 0.192 4.541 4.340 0.014 0.000 0.220 1087 R C -0.085 176.213 176.300 -0.003 0.000 0.887 1087 R CA 0.267 56.363 56.100 -0.007 0.000 1.034 1087 R CB 0.430 30.733 30.300 0.005 0.000 1.179 1087 R HN 0.514 nan 8.270 nan 0.000 0.561 1088 T N 1.394 115.833 114.554 -0.192 0.000 2.841 1088 T HA 0.581 4.939 4.350 0.014 0.000 0.285 1088 T C -1.036 173.487 174.700 -0.295 0.000 0.991 1088 T CA -0.280 61.759 62.100 -0.101 0.000 0.966 1088 T CB 1.214 70.044 68.868 -0.065 0.000 0.962 1088 T HN -0.178 nan 8.240 nan 0.000 0.438 1089 F N 2.738 122.685 119.950 -0.005 0.000 2.493 1089 F HA 0.567 5.104 4.527 0.016 0.000 0.329 1089 F C -0.274 175.523 175.800 -0.005 0.000 1.126 1089 F CA -1.092 56.905 58.000 -0.005 0.000 0.937 1089 F CB 1.321 40.313 39.000 -0.013 0.000 1.146 1089 F HN 0.229 nan 8.300 nan 0.000 0.442 1090 L N 4.157 125.459 121.223 0.131 0.000 2.316 1090 L HA 0.535 4.884 4.340 0.014 0.000 0.280 1090 L C -0.070 176.852 176.870 0.086 0.000 1.006 1090 L CA -0.748 54.142 54.840 0.084 0.000 0.836 1090 L CB 1.698 43.778 42.059 0.035 0.000 1.221 1090 L HN 0.573 nan 8.230 nan 0.000 0.418 1091 R N 3.325 123.872 120.500 0.078 0.000 2.265 1091 R HA 0.517 4.865 4.340 0.014 0.000 0.314 1091 R C -0.921 175.403 176.300 0.040 0.000 1.053 1091 R CA -0.480 55.656 56.100 0.062 0.000 0.931 1091 R CB 1.110 31.439 30.300 0.048 0.000 1.024 1091 R HN 0.565 nan 8.270 nan 0.000 0.457 1092 I N 3.949 124.540 120.570 0.036 0.000 2.404 1092 I HA 0.652 4.830 4.170 0.014 0.000 0.293 1092 I C -0.510 175.621 176.117 0.023 0.000 0.992 1092 I CA -0.018 61.297 61.300 0.024 0.000 1.149 1092 I CB 1.804 39.814 38.000 0.016 0.000 1.315 1092 I HN 0.784 nan 8.210 nan 0.000 0.446 1093 G N 3.985 112.798 108.800 0.021 0.000 2.788 1093 G HA2 0.669 4.637 3.960 0.014 0.000 0.293 1093 G HA3 0.669 4.637 3.960 0.014 0.000 0.293 1093 G C -1.102 173.811 174.900 0.022 0.000 1.392 1093 G CA -0.216 44.897 45.100 0.021 0.000 0.810 1093 G HN 0.658 nan 8.290 nan 0.000 0.508 1094 T N -2.887 111.682 114.554 0.026 0.000 2.950 1094 T HA 0.778 5.136 4.350 0.014 0.000 0.288 1094 T C -0.310 174.413 174.700 0.039 0.000 1.035 1094 T CA -0.565 61.553 62.100 0.031 0.000 1.028 1094 T CB 2.094 70.982 68.868 0.032 0.000 1.109 1094 T HN 0.921 nan 8.240 nan 0.000 0.514 1095 T N -0.759 113.818 114.554 0.038 0.000 2.821 1095 T HA 0.656 5.014 4.350 0.014 0.000 0.306 1095 T C -0.791 173.928 174.700 0.032 0.000 1.313 1095 T CA -0.415 61.707 62.100 0.037 0.000 1.012 1095 T CB 1.345 70.226 68.868 0.021 0.000 1.298 1095 T HN 1.179 nan 8.240 nan 0.000 0.502 1096 G N 1.374 110.197 108.800 0.037 0.000 2.422 1096 G HA2 0.653 4.622 3.960 0.014 0.000 0.317 1096 G HA3 0.653 4.622 3.960 0.014 0.000 0.317 1096 G C -0.075 174.824 174.900 -0.001 0.000 1.210 1096 G CA -0.199 44.919 45.100 0.030 0.000 0.930 1096 G HN 0.962 nan 8.290 nan 0.000 0.468 1097 A N 2.310 125.105 122.820 -0.041 0.000 2.425 1097 A HA 0.529 4.858 4.320 0.014 0.000 0.249 1097 A C 1.115 178.641 177.584 -0.097 0.000 1.084 1097 A CA -0.405 51.570 52.037 -0.104 0.000 0.781 1097 A CB 0.186 19.099 19.000 -0.146 0.000 1.019 1097 A HN 1.253 nan 8.150 nan 0.000 0.490 1098 I N -1.899 118.586 120.570 -0.142 0.000 4.154 1098 I HA 0.237 4.416 4.170 0.014 0.000 0.334 1098 I C -0.260 175.800 176.117 -0.096 0.000 1.371 1098 I CA -0.317 60.919 61.300 -0.108 0.000 1.110 1098 I CB 0.159 38.060 38.000 -0.165 0.000 1.085 1098 I HN 0.346 nan 8.210 nan 0.000 0.398 1099 Q N 2.893 122.596 119.800 -0.161 0.000 2.256 1099 Q HA 0.381 4.729 4.340 0.014 0.000 0.257 1099 Q C -1.829 174.053 176.000 -0.197 0.000 0.936 1099 Q CA -2.101 53.602 55.803 -0.166 0.000 0.903 1099 Q CB 1.879 30.455 28.738 -0.269 0.000 1.263 1099 Q HN 0.038 nan 8.270 nan 0.000 0.440 1100 P HA -0.170 nan 4.420 nan 0.000 0.222 1100 P C 0.712 178.005 177.300 -0.011 0.000 1.147 1100 P CA 1.495 64.589 63.100 -0.010 0.000 0.790 1100 P CB 0.180 31.910 31.700 0.051 0.000 0.780 1101 H N -1.791 117.250 119.070 -0.049 0.000 2.575 1101 H HA 0.262 4.826 4.556 0.013 0.000 0.267 1101 H C 0.702 175.995 175.328 -0.058 0.000 0.966 1101 H CA -0.414 55.613 56.048 -0.034 0.000 1.165 1101 H CB -0.463 29.290 29.762 -0.016 0.000 1.433 1101 H HN 0.108 nan 8.280 nan 0.000 0.544 1102 I N 2.865 123.104 120.570 -0.553 0.000 2.416 1102 I HA 0.005 4.183 4.170 0.014 0.000 0.288 1102 I C 0.199 176.224 176.117 -0.154 0.000 1.051 1102 I CA -0.307 60.730 61.300 -0.439 0.000 1.375 1102 I CB 0.714 38.348 38.000 -0.611 0.000 1.407 1102 I HN 0.095 nan 8.210 nan 0.000 0.516 1103 N N 5.512 124.194 118.700 -0.030 0.000 2.487 1103 N HA 0.208 4.957 4.740 0.014 0.000 0.292 1103 N C -0.633 174.876 175.510 -0.002 0.000 1.108 1103 N CA -0.499 52.550 53.050 -0.003 0.000 0.956 1103 N CB 1.704 40.206 38.487 0.026 0.000 1.176 1103 N HN 0.367 nan 8.380 nan 0.000 0.484 1104 V N 3.170 123.082 119.914 -0.004 0.000 2.617 1104 V HA 0.394 4.523 4.120 0.014 0.000 0.304 1104 V C 1.245 177.342 176.094 0.005 0.000 1.040 1104 V CA 1.479 63.781 62.300 0.003 0.000 1.149 1104 V CB -0.197 31.630 31.823 0.007 0.000 0.914 1104 V HN 1.031 nan 8.190 nan 0.000 0.487 1105 G N 4.123 112.929 108.800 0.009 0.000 2.232 1105 G HA2 -0.201 3.767 3.960 0.014 0.000 0.226 1105 G HA3 -0.201 3.767 3.960 0.014 0.000 0.226 1105 G C -0.034 174.861 174.900 -0.009 0.000 0.996 1105 G CA 0.158 45.259 45.100 0.001 0.000 0.626 1105 G HN 0.869 nan 8.290 nan 0.000 0.509 1106 D N 0.366 120.776 120.400 0.016 0.000 2.400 1106 D HA 0.440 5.089 4.640 0.014 0.000 0.238 1106 D C 0.601 176.935 176.300 0.058 0.000 1.157 1106 D CA 0.190 54.219 54.000 0.050 0.000 0.889 1106 D CB 1.544 42.447 40.800 0.172 0.000 1.199 1106 D HN 0.231 nan 8.370 nan 0.000 0.436 1107 V N 2.749 122.693 119.914 0.049 0.000 2.370 1107 V HA 0.279 4.408 4.120 0.014 0.000 0.279 1107 V C 0.126 176.265 176.094 0.075 0.000 1.029 1107 V CA -0.676 61.652 62.300 0.047 0.000 0.870 1107 V CB 0.944 32.781 31.823 0.024 0.000 0.984 1107 V HN 0.263 nan 8.190 nan 0.000 0.451 1108 L N 5.746 127.010 121.223 0.069 0.000 2.287 1108 L HA 0.587 4.935 4.340 0.014 0.000 0.287 1108 L C -0.548 176.346 176.870 0.041 0.000 1.022 1108 L CA -0.713 54.170 54.840 0.072 0.000 0.814 1108 L CB 1.746 43.833 42.059 0.047 0.000 1.217 1108 L HN 0.337 nan 8.230 nan 0.000 0.420 1109 V N 2.058 121.995 119.914 0.039 0.000 2.370 1109 V HA 0.281 4.409 4.120 0.014 0.000 0.279 1109 V C 0.368 176.475 176.094 0.021 0.000 1.029 1109 V CA -0.375 61.938 62.300 0.021 0.000 0.870 1109 V CB 1.597 33.425 31.823 0.008 0.000 0.984 1109 V HN 0.723 nan 8.190 nan 0.000 0.451 1110 T N 3.426 117.989 114.554 0.014 0.000 2.728 1110 T HA 0.201 4.560 4.350 0.014 0.000 0.296 1110 T C 1.337 176.047 174.700 0.017 0.000 0.940 1110 T CA 0.139 62.246 62.100 0.010 0.000 1.013 1110 T CB 1.179 70.049 68.868 0.002 0.000 0.912 1110 T HN 0.963 nan 8.240 nan 0.000 0.484 1111 T N 0.779 115.347 114.554 0.023 0.000 2.896 1111 T HA 0.443 4.801 4.350 0.014 0.000 0.263 1111 T C 0.750 175.468 174.700 0.031 0.000 1.050 1111 T CA 0.324 62.448 62.100 0.039 0.000 1.140 1111 T CB 0.135 69.033 68.868 0.050 0.000 0.877 1111 T HN 0.767 nan 8.240 nan 0.000 0.457 1112 A N -0.070 122.757 122.820 0.011 0.000 2.586 1112 A HA 0.659 4.987 4.320 0.014 0.000 0.291 1112 A C -1.069 176.502 177.584 -0.022 0.000 1.062 1112 A CA -0.870 51.167 52.037 0.001 0.000 0.666 1112 A CB 1.152 20.151 19.000 -0.001 0.000 1.281 1112 A HN 0.218 nan 8.150 nan 0.000 0.421 1113 S N -0.247 115.437 115.700 -0.028 0.000 2.536 1113 S HA 0.596 5.075 4.470 0.014 0.000 0.298 1113 S C -0.380 174.169 174.600 -0.086 0.000 1.083 1113 S CA -0.590 57.574 58.200 -0.060 0.000 0.995 1113 S CB 1.706 64.881 63.200 -0.041 0.000 1.058 1113 S HN 0.927 nan 8.310 nan 0.000 0.488 1114 V N 3.270 123.081 119.914 -0.171 0.000 2.479 1114 V HA 0.159 4.287 4.120 0.014 0.000 0.281 1114 V C 0.601 176.611 176.094 -0.141 0.000 1.031 1114 V CA -0.040 62.121 62.300 -0.232 0.000 1.038 1114 V CB -0.215 31.273 31.823 -0.558 0.000 0.981 1114 V HN 0.697 nan 8.190 nan 0.000 0.478 1115 R N 5.483 125.951 120.500 -0.053 0.000 2.612 1115 R HA 0.288 4.636 4.340 0.014 0.000 0.273 1115 R C -0.056 176.271 176.300 0.046 0.000 1.376 1115 R CA -0.074 56.033 56.100 0.012 0.000 1.171 1115 R CB -0.045 30.287 30.300 0.053 0.000 1.151 1115 R HN 0.664 nan 8.270 nan 0.000 0.560 1116 L N 2.606 123.860 121.223 0.050 0.000 2.978 1116 L HA 0.159 4.507 4.340 0.014 0.000 0.239 1116 L C 0.182 177.127 176.870 0.126 0.000 1.293 1116 L CA -0.300 54.630 54.840 0.151 0.000 1.085 1116 L CB -0.688 41.500 42.059 0.214 0.000 1.432 1116 L HN 0.538 nan 8.230 nan 0.000 0.512 1117 D N -1.515 118.940 120.400 0.092 0.000 2.585 1117 D HA 0.339 4.987 4.640 0.014 0.000 0.254 1117 D C 0.642 176.992 176.300 0.083 0.000 1.067 1117 D CA -0.366 53.676 54.000 0.070 0.000 1.090 1117 D CB 1.912 42.738 40.800 0.042 0.000 1.408 1117 D HN -0.069 nan 8.370 nan 0.000 0.554 1118 G N -1.212 107.623 108.800 0.058 0.000 2.748 1118 G HA2 0.266 4.234 3.960 0.014 0.000 0.204 1118 G HA3 0.266 4.234 3.960 0.014 0.000 0.204 1118 G C 1.233 176.151 174.900 0.031 0.000 1.095 1118 G CA 0.633 45.776 45.100 0.071 0.000 0.775 1118 G HN 0.609 nan 8.290 nan 0.000 0.531 1119 A N 1.817 124.608 122.820 -0.048 0.000 1.930 1119 A HA 0.001 4.329 4.320 0.014 0.000 0.217 1119 A C 2.684 180.365 177.584 0.163 0.000 1.175 1119 A CA 2.382 54.352 52.037 -0.112 0.000 0.627 1119 A CB -0.734 18.243 19.000 -0.038 0.000 0.815 1119 A HN 0.741 nan 8.150 nan 0.000 0.443 1120 S N 0.299 116.107 115.700 0.181 0.000 2.400 1120 S HA -0.141 4.337 4.470 0.014 0.000 0.232 1120 S C 1.720 176.473 174.600 0.256 0.000 1.025 1120 S CA 1.567 59.910 58.200 0.239 0.000 0.993 1120 S CB -0.775 62.504 63.200 0.133 0.000 0.808 1120 S HN 0.453 nan 8.310 nan 0.000 0.478 1121 L N 0.356 121.711 121.223 0.220 0.000 2.362 1121 L HA 0.019 4.367 4.340 0.014 0.000 0.219 1121 L C 1.956 178.907 176.870 0.136 0.000 1.134 1121 L CA 0.934 55.881 54.840 0.177 0.000 0.807 1121 L CB -0.610 41.548 42.059 0.164 0.000 0.927 1121 L HN 0.344 nan 8.230 nan 0.000 0.447 1122 H N -1.892 117.119 119.070 -0.098 0.000 2.547 1122 H HA 0.052 4.615 4.556 0.012 0.000 0.266 1122 H C 1.033 175.993 175.328 -0.613 0.000 0.988 1122 H CA 0.684 56.525 56.048 -0.346 0.000 1.147 1122 H CB 0.081 29.571 29.762 -0.454 0.000 1.365 1122 H HN 0.239 nan 8.280 nan 0.000 0.589 1123 F N -1.296 118.667 119.950 0.023 0.000 2.640 1123 F HA 0.561 5.095 4.527 0.013 0.000 0.285 1123 F C 0.891 176.594 175.800 -0.162 0.000 1.031 1123 F CA 0.285 58.239 58.000 -0.076 0.000 1.240 1123 F CB 0.783 39.721 39.000 -0.103 0.000 1.011 1123 F HN 0.019 nan 8.300 nan 0.000 0.656 1124 A N 0.523 123.361 122.820 0.029 0.000 2.574 1124 A HA 0.661 4.989 4.320 0.014 0.000 0.297 1124 A C -2.764 174.842 177.584 0.037 0.000 1.062 1124 A CA -1.503 50.486 52.037 -0.082 0.000 0.686 1124 A CB 0.755 19.524 19.000 -0.385 0.000 1.285 1124 A HN -0.170 nan 8.150 nan 0.000 0.403 1125 P HA 0.098 nan 4.420 nan 0.000 0.271 1125 P C 0.775 178.151 177.300 0.128 0.000 1.233 1125 P CA -0.208 62.941 63.100 0.081 0.000 0.789 1125 P CB 0.458 32.203 31.700 0.075 0.000 0.951 1126 M N 0.997 120.660 119.600 0.104 0.000 2.279 1126 M HA -0.163 4.325 4.480 0.014 0.000 0.264 1126 M C 1.508 177.880 176.300 0.120 0.000 1.062 1126 M CA 1.870 57.236 55.300 0.110 0.000 1.099 1126 M CB -1.159 31.492 32.600 0.084 0.000 1.394 1126 M HN 0.275 nan 8.290 nan 0.000 0.426 1127 E N -0.611 119.658 120.200 0.116 0.000 2.160 1127 E HA -0.106 4.252 4.350 0.014 0.000 0.195 1127 E C 0.232 176.900 176.600 0.114 0.000 0.991 1127 E CA 0.718 57.176 56.400 0.097 0.000 0.810 1127 E CB -0.443 29.307 29.700 0.083 0.000 0.742 1127 E HN 0.494 nan 8.360 nan 0.000 0.466 1128 F N 2.216 122.185 119.950 0.031 0.000 2.538 1128 F HA 0.143 4.675 4.527 0.008 0.000 0.371 1128 F C -1.975 173.841 175.800 0.026 0.000 1.087 1128 F CA -2.741 55.277 58.000 0.030 0.000 1.250 1128 F CB 0.539 39.563 39.000 0.040 0.000 1.110 1128 F HN -0.112 nan 8.300 nan 0.000 0.570 1129 P HA 0.176 nan 4.420 nan 0.000 0.280 1129 P C -1.268 176.083 177.300 0.085 0.000 1.244 1129 P CA -0.462 62.589 63.100 -0.083 0.000 0.784 1129 P CB 1.254 32.837 31.700 -0.194 0.000 0.913 1130 A N 3.677 126.557 122.820 0.100 0.000 3.063 1130 A HA 0.284 4.612 4.320 0.014 0.000 0.263 1130 A C 0.204 177.824 177.584 0.059 0.000 1.736 1130 A CA -0.329 51.772 52.037 0.107 0.000 1.408 1130 A CB -0.946 18.092 19.000 0.064 0.000 1.108 1130 A HN 0.456 nan 8.150 nan 0.000 0.621 1131 V N 1.626 121.579 119.914 0.065 0.000 2.532 1131 V HA 0.705 4.833 4.120 0.014 0.000 0.295 1131 V C 0.636 176.766 176.094 0.060 0.000 1.041 1131 V CA -0.257 62.066 62.300 0.039 0.000 0.926 1131 V CB 1.415 33.239 31.823 0.002 0.000 0.992 1131 V HN 0.891 nan 8.190 nan 0.000 0.457 1132 A N 4.243 127.097 122.820 0.057 0.000 2.386 1132 A HA 0.362 4.690 4.320 0.014 0.000 0.248 1132 A C 0.103 177.741 177.584 0.090 0.000 1.082 1132 A CA -0.094 51.981 52.037 0.063 0.000 0.789 1132 A CB 0.090 19.120 19.000 0.049 0.000 1.025 1132 A HN 1.047 nan 8.150 nan 0.000 0.490 1133 D N 0.056 120.508 120.400 0.087 0.000 2.424 1133 D HA 0.108 4.757 4.640 0.014 0.000 0.244 1133 D C 0.548 176.925 176.300 0.129 0.000 1.134 1133 D CA -0.028 54.038 54.000 0.109 0.000 0.881 1133 D CB 0.164 41.017 40.800 0.088 0.000 1.191 1133 D HN 0.375 nan 8.370 nan 0.000 0.445 1134 F N 3.810 123.771 119.950 0.018 0.000 2.259 1134 F HA 0.011 4.546 4.527 0.013 0.000 0.298 1134 F C 1.988 177.796 175.800 0.013 0.000 1.088 1134 F CA 1.343 59.351 58.000 0.012 0.000 1.358 1134 F CB -0.280 38.725 39.000 0.008 0.000 1.040 1134 F HN 0.509 nan 8.300 nan 0.000 0.505 1135 A N -0.563 122.261 122.820 0.006 0.000 1.873 1135 A HA -0.194 4.134 4.320 0.014 0.000 0.215 1135 A C 2.373 179.888 177.584 -0.115 0.000 1.186 1135 A CA 1.733 53.723 52.037 -0.077 0.000 0.616 1135 A CB -1.613 17.395 19.000 0.013 0.000 0.823 1135 A HN 0.514 nan 8.150 nan 0.000 0.442 1136 C N -0.866 118.402 119.300 -0.053 0.000 2.413 1136 C HA -0.095 4.373 4.460 0.014 0.000 0.276 1136 C C 3.020 177.961 174.990 -0.083 0.000 1.248 1136 C CA 1.572 60.563 59.018 -0.044 0.000 1.742 1136 C CB -1.605 26.138 27.740 0.004 0.000 2.017 1136 C HN 0.647 nan 8.230 nan 0.000 0.481 1137 T N 0.400 114.884 114.554 -0.117 0.000 2.821 1137 T HA -0.141 4.217 4.350 0.014 0.000 0.267 1137 T C 1.808 176.375 174.700 -0.222 0.000 1.046 1137 T CA 2.029 64.046 62.100 -0.138 0.000 1.139 1137 T CB -0.459 68.344 68.868 -0.109 0.000 0.871 1137 T HN 0.597 nan 8.240 nan 0.000 0.454 1138 T N 2.096 116.421 114.554 -0.382 0.000 2.674 1138 T HA -0.036 4.323 4.350 0.014 0.000 0.265 1138 T C 2.445 177.034 174.700 -0.184 0.000 1.039 1138 T CA 1.213 63.096 62.100 -0.362 0.000 1.150 1138 T CB -0.635 67.946 68.868 -0.478 0.000 0.864 1138 T HN 0.427 nan 8.240 nan 0.000 0.427 1139 A N 1.184 123.917 122.820 -0.145 0.000 1.917 1139 A HA -0.077 4.251 4.320 0.014 0.000 0.219 1139 A C 2.323 179.867 177.584 -0.066 0.000 1.182 1139 A CA 1.453 53.439 52.037 -0.085 0.000 0.633 1139 A CB -0.959 18.003 19.000 -0.064 0.000 0.819 1139 A HN 0.484 nan 8.150 nan 0.000 0.448 1140 L N -0.779 120.403 121.223 -0.067 0.000 2.056 1140 L HA -0.151 4.198 4.340 0.014 0.000 0.207 1140 L C 2.547 179.391 176.870 -0.043 0.000 1.078 1140 L CA 1.101 55.915 54.840 -0.044 0.000 0.749 1140 L CB -0.452 41.586 42.059 -0.034 0.000 0.901 1140 L HN 0.269 nan 8.230 nan 0.000 0.433 1141 V N -0.397 119.480 119.914 -0.062 0.000 2.307 1141 V HA -0.241 3.887 4.120 0.014 0.000 0.245 1141 V C 2.325 178.391 176.094 -0.046 0.000 1.045 1141 V CA 1.667 63.936 62.300 -0.052 0.000 1.024 1141 V CB -0.460 31.325 31.823 -0.063 0.000 0.651 1141 V HN 0.431 nan 8.190 nan 0.000 0.449 1142 E N 0.423 120.590 120.200 -0.055 0.000 2.077 1142 E HA -0.208 4.150 4.350 0.014 0.000 0.193 1142 E C 2.326 178.908 176.600 -0.030 0.000 0.989 1142 E CA 1.370 57.745 56.400 -0.042 0.000 0.800 1142 E CB -0.336 29.335 29.700 -0.048 0.000 0.746 1142 E HN 0.592 nan 8.360 nan 0.000 0.452 1143 A N 1.363 124.165 122.820 -0.030 0.000 1.933 1143 A HA -0.090 4.239 4.320 0.014 0.000 0.218 1143 A C 2.366 179.944 177.584 -0.010 0.000 1.175 1143 A CA 1.572 53.597 52.037 -0.019 0.000 0.628 1143 A CB -0.537 18.451 19.000 -0.020 0.000 0.814 1143 A HN 0.293 nan 8.150 nan 0.000 0.444 1144 A N -0.260 122.554 122.820 -0.011 0.000 1.902 1144 A HA -0.150 4.179 4.320 0.014 0.000 0.217 1144 A C 2.115 179.696 177.584 -0.005 0.000 1.181 1144 A CA 1.745 53.781 52.037 -0.003 0.000 0.623 1144 A CB -0.403 18.589 19.000 -0.013 0.000 0.818 1144 A HN 0.501 nan 8.150 nan 0.000 0.443 1145 K N -0.094 120.297 120.400 -0.015 0.000 2.147 1145 K HA -0.071 4.258 4.320 0.014 0.000 0.205 1145 K C 2.335 178.931 176.600 -0.006 0.000 1.049 1145 K CA 1.317 57.595 56.287 -0.014 0.000 0.936 1145 K CB -0.134 32.355 32.500 -0.018 0.000 0.722 1145 K HN 0.468 nan 8.250 nan 0.000 0.446 1146 S N 1.163 116.860 115.700 -0.005 0.000 2.356 1146 S HA -0.094 4.384 4.470 0.014 0.000 0.223 1146 S C 1.855 176.460 174.600 0.008 0.000 1.032 1146 S CA 0.950 59.149 58.200 -0.002 0.000 1.005 1146 S CB -0.094 63.102 63.200 -0.007 0.000 0.867 1146 S HN 0.161 nan 8.310 nan 0.000 0.449 1147 I N 0.751 121.332 120.570 0.018 0.000 2.394 1147 I HA -0.003 4.175 4.170 0.014 0.000 0.251 1147 I C 2.126 178.283 176.117 0.067 0.000 1.136 1147 I CA 1.373 62.700 61.300 0.045 0.000 1.425 1147 I CB -1.956 36.088 38.000 0.072 0.000 1.079 1147 I HN 0.502 nan 8.210 nan 0.000 0.425 1148 G N 0.528 109.352 108.800 0.040 0.000 2.141 1148 G HA2 -0.169 3.799 3.960 0.014 0.000 0.231 1148 G HA3 -0.169 3.799 3.960 0.014 0.000 0.231 1148 G C 0.593 175.493 174.900 -0.000 0.000 0.984 1148 G CA 0.187 45.299 45.100 0.020 0.000 0.660 1148 G HN 0.737 nan 8.290 nan 0.000 0.525 1149 A N 0.154 122.983 122.820 0.015 0.000 2.483 1149 A HA 0.566 4.894 4.320 0.014 0.000 0.238 1149 A C 0.973 178.497 177.584 -0.100 0.000 1.070 1149 A CA 1.259 53.259 52.037 -0.063 0.000 0.770 1149 A CB 0.201 19.201 19.000 0.001 0.000 1.008 1149 A HN 0.914 nan 8.150 nan 0.000 0.497 1150 T N 3.225 117.695 114.554 -0.140 0.000 2.775 1150 T HA 0.342 4.701 4.350 0.014 0.000 0.281 1150 T C 0.204 174.770 174.700 -0.223 0.000 0.908 1150 T CA 0.655 62.658 62.100 -0.161 0.000 1.123 1150 T CB -0.518 68.283 68.868 -0.112 0.000 0.879 1150 T HN 0.652 nan 8.240 nan 0.000 0.547 1151 T N 4.651 119.032 114.554 -0.289 0.000 2.855 1151 T HA 0.417 4.776 4.350 0.014 0.000 0.281 1151 T C -0.462 173.974 174.700 -0.440 0.000 1.007 1151 T CA -0.808 61.142 62.100 -0.251 0.000 1.009 1151 T CB 0.990 69.792 68.868 -0.110 0.000 0.983 1151 T HN 0.520 nan 8.240 nan 0.000 0.455 1152 H N 0.745 119.821 119.070 0.010 0.000 2.589 1152 H HA 0.552 5.116 4.556 0.014 0.000 0.351 1152 H C -1.111 174.225 175.328 0.014 0.000 1.074 1152 H CA -0.546 55.516 56.048 0.023 0.000 1.203 1152 H CB 1.846 31.624 29.762 0.026 0.000 1.558 1152 H HN 0.267 nan 8.280 nan 0.000 0.522 1153 V N 2.210 122.198 119.914 0.123 0.000 2.448 1153 V HA 0.728 4.856 4.120 0.014 0.000 0.295 1153 V C 0.512 176.648 176.094 0.069 0.000 1.025 1153 V CA -0.182 62.161 62.300 0.072 0.000 0.859 1153 V CB 1.419 33.268 31.823 0.043 0.000 0.988 1153 V HN 1.108 nan 8.190 nan 0.000 0.431 1154 G N 3.191 112.020 108.800 0.048 0.000 2.399 1154 G HA2 0.365 4.334 3.960 0.014 0.000 0.256 1154 G HA3 0.365 4.334 3.960 0.014 0.000 0.256 1154 G C -1.395 173.512 174.900 0.011 0.000 1.236 1154 G CA -0.387 44.733 45.100 0.035 0.000 0.914 1154 G HN 0.514 nan 8.290 nan 0.000 0.482 1155 V N 0.728 120.639 119.914 -0.005 0.000 2.686 1155 V HA 0.663 4.791 4.120 0.014 0.000 0.295 1155 V C 0.297 176.350 176.094 -0.069 0.000 1.057 1155 V CA 0.028 62.308 62.300 -0.034 0.000 1.012 1155 V CB 1.395 33.196 31.823 -0.037 0.000 1.006 1155 V HN 0.805 nan 8.190 nan 0.000 0.477 1156 T N 3.150 117.650 114.554 -0.091 0.000 2.861 1156 T HA 0.642 5.000 4.350 0.014 0.000 0.287 1156 T C -0.210 174.381 174.700 -0.181 0.000 1.003 1156 T CA -0.311 61.717 62.100 -0.119 0.000 0.977 1156 T CB 1.667 70.495 68.868 -0.068 0.000 0.996 1156 T HN 0.908 nan 8.240 nan 0.000 0.448 1157 A N 2.198 124.869 122.820 -0.249 0.000 2.269 1157 A HA 0.622 4.951 4.320 0.014 0.000 0.302 1157 A C 0.373 177.921 177.584 -0.061 0.000 1.266 1157 A CA -0.436 51.424 52.037 -0.296 0.000 0.894 1157 A CB 0.305 18.999 19.000 -0.510 0.000 1.147 1157 A HN 0.631 nan 8.150 nan 0.000 0.537 1158 S N 2.277 117.937 115.700 -0.067 0.000 2.448 1158 S HA 0.517 4.995 4.470 0.014 0.000 0.320 1158 S C -0.110 174.491 174.600 0.002 0.000 1.071 1158 S CA -0.330 57.863 58.200 -0.012 0.000 1.113 1158 S CB 0.375 63.563 63.200 -0.020 0.000 0.972 1158 S HN 0.952 nan 8.310 nan 0.000 0.465 1159 S N 3.337 119.033 115.700 -0.007 0.000 2.475 1159 S HA 0.355 4.834 4.470 0.014 0.000 0.298 1159 S C 0.435 175.003 174.600 -0.055 0.000 1.119 1159 S CA -0.623 57.548 58.200 -0.049 0.000 1.085 1159 S CB 1.194 64.290 63.200 -0.173 0.000 1.028 1159 S HN 0.719 nan 8.310 nan 0.000 0.489 1160 D N 2.053 122.430 120.400 -0.038 0.000 2.371 1160 D HA 0.088 4.736 4.640 0.014 0.000 0.221 1160 D C 0.738 177.012 176.300 -0.044 0.000 0.986 1160 D CA 0.895 54.881 54.000 -0.023 0.000 0.899 1160 D CB 0.153 40.958 40.800 0.009 0.000 0.902 1160 D HN 0.714 nan 8.370 nan 0.000 0.530 1161 T N -4.194 110.297 114.554 -0.104 0.000 2.906 1161 T HA 0.281 4.640 4.350 0.014 0.000 0.295 1161 T C 0.508 175.127 174.700 -0.135 0.000 1.061 1161 T CA -0.896 61.152 62.100 -0.086 0.000 1.000 1161 T CB 1.156 69.962 68.868 -0.103 0.000 1.103 1161 T HN -0.117 nan 8.240 nan 0.000 0.486 1162 F N 0.337 120.131 119.950 -0.260 0.000 2.293 1162 F HA 0.164 4.699 4.527 0.013 0.000 0.297 1162 F C 1.055 176.524 175.800 -0.552 0.000 1.089 1162 F CA 0.850 58.584 58.000 -0.444 0.000 1.377 1162 F CB -0.055 38.600 39.000 -0.575 0.000 1.051 1162 F HN 0.704 nan 8.300 nan 0.000 0.511 1163 Y N 0.555 120.805 120.300 -0.083 0.000 2.414 1163 Y HA 0.122 4.679 4.550 0.012 0.000 0.248 1163 Y C -0.445 175.271 175.900 -0.306 0.000 1.054 1163 Y CA 0.383 58.386 58.100 -0.161 0.000 1.156 1163 Y CB -1.879 36.575 38.460 -0.011 0.000 1.051 1163 Y HN -0.223 nan 8.280 nan 0.000 0.485 1164 P HA -0.111 nan 4.420 nan 0.000 0.217 1164 P C 1.451 178.448 177.300 -0.506 0.000 1.150 1164 P CA 2.195 65.143 63.100 -0.253 0.000 0.832 1164 P CB -0.225 31.382 31.700 -0.155 0.000 0.787 1165 G N -0.028 108.356 108.800 -0.693 0.000 2.509 1165 G HA2 -0.196 3.772 3.960 0.014 0.000 0.218 1165 G HA3 -0.196 3.772 3.960 0.014 0.000 0.218 1165 G C 1.348 175.797 174.900 -0.751 0.000 1.124 1165 G CA 0.294 44.706 45.100 -1.147 0.000 0.776 1165 G HN 0.385 nan 8.290 nan 0.000 0.547 1166 Q N -0.583 118.784 119.800 -0.721 0.000 2.188 1166 Q HA 0.211 4.559 4.340 0.014 0.000 0.212 1166 Q C -0.058 175.626 176.000 -0.527 0.000 0.846 1166 Q CA -0.285 54.864 55.803 -1.089 0.000 0.989 1166 Q CB 0.539 28.479 28.738 -1.329 0.000 1.114 1166 Q HN 0.573 nan 8.270 nan 0.000 0.488 1167 E N 1.733 121.743 120.200 -0.317 0.000 2.228 1167 E HA -0.231 4.127 4.350 0.014 0.000 0.213 1167 E C -0.953 175.505 176.600 -0.236 0.000 1.282 1167 E CA 0.156 56.422 56.400 -0.224 0.000 0.707 1167 E CB -0.358 29.366 29.700 0.040 0.000 1.150 1167 E HN 0.330 nan 8.360 nan 0.000 0.362 1168 R N 0.245 120.585 120.500 -0.267 0.000 2.297 1168 R HA 0.222 4.570 4.340 0.014 0.000 0.308 1168 R C 0.293 176.489 176.300 -0.174 0.000 1.029 1168 R CA -0.191 55.850 56.100 -0.099 0.000 0.929 1168 R CB 0.522 30.835 30.300 0.022 0.000 1.046 1168 R HN 0.219 nan 8.270 nan 0.000 0.461 1169 Y N -0.385 119.950 120.300 0.058 0.000 2.462 1169 Y HA 0.066 4.625 4.550 0.014 0.000 0.253 1169 Y C 0.556 176.475 175.900 0.032 0.000 1.095 1169 Y CA -0.053 58.071 58.100 0.039 0.000 1.283 1169 Y CB 0.737 39.214 38.460 0.027 0.000 1.138 1169 Y HN 0.483 nan 8.280 nan 0.000 0.522 1170 D N 2.146 122.654 120.400 0.179 0.000 2.600 1170 D HA 0.046 4.694 4.640 0.014 0.000 0.226 1170 D C 0.212 176.542 176.300 0.051 0.000 1.119 1170 D CA 0.523 54.593 54.000 0.116 0.000 1.051 1170 D CB 0.021 40.897 40.800 0.127 0.000 1.106 1170 D HN 0.303 nan 8.370 nan 0.000 0.491 1171 T N -2.846 111.712 114.554 0.006 0.000 2.804 1171 T HA 0.104 4.462 4.350 0.014 0.000 0.290 1171 T C 1.063 175.754 174.700 -0.014 0.000 1.099 1171 T CA -0.794 61.257 62.100 -0.083 0.000 1.011 1171 T CB 1.045 69.834 68.868 -0.131 0.000 1.291 1171 T HN 0.064 nan 8.240 nan 0.000 0.523 1172 Y N 1.727 121.948 120.300 -0.130 0.000 2.081 1172 Y HA -0.147 4.410 4.550 0.012 0.000 0.280 1172 Y C 2.775 178.649 175.900 -0.042 0.000 1.163 1172 Y CA 2.909 60.961 58.100 -0.079 0.000 1.135 1172 Y CB -0.624 37.784 38.460 -0.087 0.000 0.970 1172 Y HN 0.749 nan 8.280 nan 0.000 0.498 1173 S N -1.267 114.362 115.700 -0.118 0.000 2.458 1173 S HA 0.172 4.650 4.470 0.014 0.000 0.223 1173 S C 1.878 176.428 174.600 -0.084 0.000 1.019 1173 S CA 0.543 58.638 58.200 -0.175 0.000 0.937 1173 S CB -0.575 62.609 63.200 -0.027 0.000 0.788 1173 S HN 1.005 nan 8.310 nan 0.000 0.511 1174 G N 2.140 110.928 108.800 -0.020 0.000 2.168 1174 G HA2 -0.330 3.638 3.960 0.014 0.000 0.257 1174 G HA3 -0.330 3.638 3.960 0.014 0.000 0.257 1174 G C 0.012 175.003 174.900 0.152 0.000 0.997 1174 G CA 0.576 45.715 45.100 0.066 0.000 0.708 1174 G HN 1.033 nan 8.290 nan 0.000 0.520 1175 R N -1.487 119.064 120.500 0.084 0.000 2.854 1175 R HA 0.844 5.192 4.340 0.014 0.000 0.271 1175 R C -0.402 175.908 176.300 0.016 0.000 0.996 1175 R CA -0.515 55.653 56.100 0.114 0.000 0.961 1175 R CB 2.396 32.741 30.300 0.075 0.000 1.182 1175 R HN 0.988 nan 8.270 nan 0.000 0.479 1176 V N 0.169 120.102 119.914 0.032 0.000 2.709 1176 V HA 0.511 4.639 4.120 0.014 0.000 0.308 1176 V C -0.058 176.090 176.094 0.090 0.000 1.062 1176 V CA -1.033 61.258 62.300 -0.015 0.000 0.901 1176 V CB 1.685 33.402 31.823 -0.176 0.000 1.003 1176 V HN 0.755 nan 8.190 nan 0.000 0.425 1177 V N 5.667 125.654 119.914 0.121 0.000 3.061 1177 V HA 0.099 4.227 4.120 0.014 0.000 0.306 1177 V C 2.019 178.188 176.094 0.125 0.000 1.118 1177 V CA 1.218 63.598 62.300 0.133 0.000 1.231 1177 V CB 0.803 32.726 31.823 0.167 0.000 0.956 1177 V HN 1.177 nan 8.190 nan 0.000 0.499 1178 R N 3.761 124.304 120.500 0.071 0.000 2.112 1178 R HA -0.238 4.110 4.340 0.014 0.000 0.242 1178 R C 2.310 178.604 176.300 -0.012 0.000 1.137 1178 R CA 2.584 58.705 56.100 0.034 0.000 0.944 1178 R CB -0.460 29.847 30.300 0.012 0.000 0.857 1178 R HN 0.860 nan 8.270 nan 0.000 0.435 1179 R N -0.598 119.858 120.500 -0.074 0.000 2.119 1179 R HA -0.192 4.156 4.340 0.014 0.000 0.246 1179 R C 1.446 177.518 176.300 -0.380 0.000 1.146 1179 R CA 2.234 58.168 56.100 -0.277 0.000 0.962 1179 R CB -0.297 29.738 30.300 -0.442 0.000 0.863 1179 R HN 0.325 nan 8.270 nan 0.000 0.442 1180 F N 0.618 120.587 119.950 0.031 0.000 2.727 1180 F HA 0.265 4.805 4.527 0.023 0.000 0.302 1180 F C 0.362 176.173 175.800 0.018 0.000 1.097 1180 F CA -0.078 57.940 58.000 0.031 0.000 1.330 1180 F CB 0.308 39.325 39.000 0.030 0.000 1.084 1180 F HN -0.262 nan 8.300 nan 0.000 0.578 1181 K N 0.735 121.224 120.400 0.149 0.000 2.416 1181 K HA 0.269 4.597 4.320 0.014 0.000 0.283 1181 K C 1.177 177.826 176.600 0.082 0.000 1.037 1181 K CA 0.689 57.068 56.287 0.153 0.000 0.995 1181 K CB 0.151 32.725 32.500 0.123 0.000 0.938 1181 K HN 0.341 nan 8.250 nan 0.000 0.475 1182 G N 2.138 111.003 108.800 0.109 0.000 2.198 1182 G HA2 -0.328 3.641 3.960 0.014 0.000 0.260 1182 G HA3 -0.328 3.641 3.960 0.014 0.000 0.260 1182 G C 0.808 175.666 174.900 -0.070 0.000 1.025 1182 G CA 0.799 45.914 45.100 0.025 0.000 0.769 1182 G HN 0.695 nan 8.290 nan 0.000 0.507 1183 S N -1.153 114.518 115.700 -0.049 0.000 2.404 1183 S HA 0.119 4.597 4.470 0.014 0.000 0.223 1183 S C 2.253 176.630 174.600 -0.372 0.000 1.040 1183 S CA 1.263 59.296 58.200 -0.279 0.000 0.957 1183 S CB -0.251 62.929 63.200 -0.034 0.000 0.826 1183 S HN 0.642 nan 8.310 nan 0.000 0.491 1184 M N 1.671 121.299 119.600 0.045 0.000 2.108 1184 M HA -0.145 4.343 4.480 0.014 0.000 0.261 1184 M C 2.293 178.611 176.300 0.030 0.000 1.066 1184 M CA 2.149 57.561 55.300 0.186 0.000 1.107 1184 M CB -0.300 32.476 32.600 0.294 0.000 1.356 1184 M HN 0.496 nan 8.290 nan 0.000 0.406 1185 E N -0.101 120.089 120.200 -0.015 0.000 2.153 1185 E HA -0.281 4.078 4.350 0.014 0.000 0.194 1185 E C 1.832 178.386 176.600 -0.076 0.000 0.988 1185 E CA 1.703 58.087 56.400 -0.027 0.000 0.811 1185 E CB -0.040 29.646 29.700 -0.025 0.000 0.746 1185 E HN 0.692 nan 8.360 nan 0.000 0.466 1186 E N -0.470 119.605 120.200 -0.208 0.000 2.046 1186 E HA -0.162 4.196 4.350 0.014 0.000 0.190 1186 E C 1.714 178.237 176.600 -0.127 0.000 0.982 1186 E CA 1.162 57.405 56.400 -0.261 0.000 0.800 1186 E CB -0.221 29.188 29.700 -0.486 0.000 0.756 1186 E HN 0.404 nan 8.360 nan 0.000 0.449 1187 W N 1.226 122.531 121.300 0.007 0.000 2.342 1187 W HA -0.195 4.466 4.660 0.003 0.000 0.297 1187 W C 2.621 179.108 176.519 -0.053 0.000 1.213 1187 W CA 0.766 58.091 57.345 -0.032 0.000 1.251 1187 W CB -0.200 29.210 29.460 -0.084 0.000 1.136 1187 W HN 0.275 nan 8.180 nan 0.000 0.526 1188 Q N 0.887 120.773 119.800 0.144 0.000 2.079 1188 Q HA -0.176 4.172 4.340 0.014 0.000 0.200 1188 Q C 2.368 178.403 176.000 0.058 0.000 0.974 1188 Q CA 1.890 57.734 55.803 0.068 0.000 0.840 1188 Q CB -0.383 28.376 28.738 0.036 0.000 0.898 1188 Q HN 0.222 nan 8.270 nan 0.000 0.430 1189 A N 0.373 123.219 122.820 0.044 0.000 2.015 1189 A HA -0.093 4.235 4.320 0.014 0.000 0.219 1189 A C 1.844 179.458 177.584 0.051 0.000 1.163 1189 A CA 1.143 53.199 52.037 0.032 0.000 0.646 1189 A CB -0.340 18.663 19.000 0.006 0.000 0.806 1189 A HN 0.471 nan 8.150 nan 0.000 0.448 1190 M N -1.328 118.325 119.600 0.088 0.000 2.561 1190 M HA 0.157 4.646 4.480 0.014 0.000 0.238 1190 M C 1.363 177.715 176.300 0.087 0.000 1.131 1190 M CA 0.770 56.133 55.300 0.106 0.000 1.046 1190 M CB 0.223 32.935 32.600 0.188 0.000 1.532 1190 M HN 0.612 nan 8.290 nan 0.000 0.497 1191 G N 0.521 109.365 108.800 0.074 0.000 2.176 1191 G HA2 -0.211 3.757 3.960 0.014 0.000 0.253 1191 G HA3 -0.211 3.757 3.960 0.014 0.000 0.253 1191 G C 0.127 175.051 174.900 0.040 0.000 0.979 1191 G CA -0.130 45.004 45.100 0.057 0.000 0.641 1191 G HN 0.308 nan 8.290 nan 0.000 0.530 1192 V N 1.721 121.661 119.914 0.044 0.000 2.694 1192 V HA 0.127 4.256 4.120 0.014 0.000 0.306 1192 V C 1.882 177.937 176.094 -0.066 0.000 1.054 1192 V CA 1.306 63.594 62.300 -0.020 0.000 1.161 1192 V CB 1.137 32.942 31.823 -0.030 0.000 0.916 1192 V HN 0.398 nan 8.190 nan 0.000 0.490 1193 M N 2.983 122.527 119.600 -0.093 0.000 2.248 1193 M HA 0.100 4.588 4.480 0.014 0.000 0.265 1193 M C 0.637 176.837 176.300 -0.168 0.000 1.079 1193 M CA 1.029 56.258 55.300 -0.118 0.000 1.150 1193 M CB 0.054 32.605 32.600 -0.081 0.000 1.366 1193 M HN 0.985 nan 8.290 nan 0.000 0.433 1194 N N -1.878 116.706 118.700 -0.192 0.000 3.116 1194 N HA 0.183 4.931 4.740 0.014 0.000 0.244 1194 N C -1.937 173.425 175.510 -0.246 0.000 1.485 1194 N CA -0.656 52.279 53.050 -0.192 0.000 0.884 1194 N CB 1.138 39.569 38.487 -0.094 0.000 1.415 1194 N HN -0.128 nan 8.380 nan 0.000 0.524 1195 Y N -0.356 119.896 120.300 -0.079 0.000 2.429 1195 Y HA 0.519 5.075 4.550 0.011 0.000 0.342 1195 Y C 0.231 176.079 175.900 -0.087 0.000 1.004 1195 Y CA -0.224 57.816 58.100 -0.100 0.000 1.075 1195 Y CB 1.620 40.005 38.460 -0.126 0.000 1.214 1195 Y HN 0.814 nan 8.280 nan 0.000 0.455 1196 E N -0.139 120.124 120.200 0.106 0.000 2.368 1196 E HA 0.506 4.864 4.350 0.014 0.000 0.257 1196 E C -1.010 175.604 176.600 0.024 0.000 1.022 1196 E CA -0.707 55.722 56.400 0.049 0.000 0.886 1196 E CB 1.093 30.814 29.700 0.035 0.000 1.740 1196 E HN 0.422 nan 8.360 nan 0.000 0.456 1197 M N -0.624 118.987 119.600 0.018 0.000 2.289 1197 M HA 0.350 4.838 4.480 0.014 0.000 0.335 1197 M C -0.061 176.242 176.300 0.004 0.000 0.961 1197 M CA 0.228 55.532 55.300 0.006 0.000 1.018 1197 M CB 0.683 33.289 32.600 0.012 0.000 1.678 1197 M HN 0.487 nan 8.290 nan 0.000 0.589 1198 E N -0.512 119.690 120.200 0.004 0.000 2.500 1198 E HA 0.065 4.423 4.350 0.014 0.000 0.217 1198 E C 1.848 178.442 176.600 -0.011 0.000 0.848 1198 E CA 0.628 57.027 56.400 -0.001 0.000 1.217 1198 E CB 0.361 30.064 29.700 0.005 0.000 1.217 1198 E HN 0.308 nan 8.360 nan 0.000 0.573 1199 S N 0.917 116.612 115.700 -0.007 0.000 2.382 1199 S HA -0.117 4.362 4.470 0.014 0.000 0.228 1199 S C 2.215 176.805 174.600 -0.016 0.000 1.027 1199 S CA 0.995 59.188 58.200 -0.012 0.000 0.991 1199 S CB -0.305 62.891 63.200 -0.008 0.000 0.823 1199 S HN 0.231 nan 8.310 nan 0.000 0.469 1200 A N 1.892 124.705 122.820 -0.011 0.000 1.877 1200 A HA -0.044 4.284 4.320 0.014 0.000 0.216 1200 A C 2.462 180.045 177.584 -0.002 0.000 1.186 1200 A CA 2.178 54.215 52.037 0.001 0.000 0.620 1200 A CB -1.749 17.256 19.000 0.008 0.000 0.822 1200 A HN 0.566 nan 8.150 nan 0.000 0.443 1201 T N 0.165 114.712 114.554 -0.012 0.000 2.674 1201 T HA -0.160 4.198 4.350 0.014 0.000 0.265 1201 T C 1.878 176.501 174.700 -0.128 0.000 1.039 1201 T CA 1.612 63.691 62.100 -0.035 0.000 1.150 1201 T CB -0.492 68.363 68.868 -0.021 0.000 0.864 1201 T HN 0.352 nan 8.240 nan 0.000 0.427 1202 L N 1.114 122.266 121.223 -0.118 0.000 1.989 1202 L HA -0.038 4.310 4.340 0.014 0.000 0.211 1202 L C 2.189 178.965 176.870 -0.157 0.000 1.071 1202 L CA 1.757 56.495 54.840 -0.169 0.000 0.749 1202 L CB -0.829 41.168 42.059 -0.104 0.000 0.890 1202 L HN 0.268 nan 8.230 nan 0.000 0.431 1203 L N -1.391 119.788 121.223 -0.073 0.000 2.093 1203 L HA -0.150 4.199 4.340 0.014 0.000 0.208 1203 L C 2.309 179.175 176.870 -0.006 0.000 1.085 1203 L CA 1.470 56.295 54.840 -0.024 0.000 0.755 1203 L CB -1.098 40.969 42.059 0.014 0.000 0.904 1203 L HN 0.315 nan 8.230 nan 0.000 0.435 1204 T N 0.720 115.263 114.554 -0.019 0.000 2.701 1204 T HA -0.201 4.157 4.350 0.014 0.000 0.263 1204 T C 1.880 176.470 174.700 -0.182 0.000 1.040 1204 T CA 1.840 63.943 62.100 0.006 0.000 1.147 1204 T CB -0.247 68.651 68.868 0.051 0.000 0.865 1204 T HN 0.429 nan 8.240 nan 0.000 0.426 1205 M N 0.349 119.702 119.600 -0.413 0.000 2.213 1205 M HA -0.028 4.460 4.480 0.014 0.000 0.263 1205 M C 2.211 178.223 176.300 -0.480 0.000 1.062 1205 M CA 1.500 56.294 55.300 -0.842 0.000 1.105 1205 M CB -1.113 30.516 32.600 -1.618 0.000 1.385 1205 M HN 0.190 nan 8.290 nan 0.000 0.417 1206 C N 1.310 120.426 119.300 -0.307 0.000 2.500 1206 C HA 0.188 4.656 4.460 0.014 0.000 0.279 1206 C C 3.261 178.225 174.990 -0.044 0.000 1.288 1206 C CA 0.956 59.876 59.018 -0.163 0.000 1.710 1206 C CB -1.104 26.569 27.740 -0.112 0.000 2.052 1206 C HN 0.759 nan 8.230 nan 0.000 0.488 1207 A N 0.809 123.643 122.820 0.024 0.000 2.070 1207 A HA -0.110 4.219 4.320 0.014 0.000 0.220 1207 A C 2.080 179.770 177.584 0.177 0.000 1.159 1207 A CA 2.042 54.175 52.037 0.160 0.000 0.656 1207 A CB -0.504 18.675 19.000 0.299 0.000 0.800 1207 A HN 0.717 nan 8.150 nan 0.000 0.453 1208 S N -2.269 113.394 115.700 -0.062 0.000 2.554 1208 S HA 0.240 4.718 4.470 0.014 0.000 0.226 1208 S C 0.738 175.277 174.600 -0.101 0.000 0.980 1208 S CA -0.020 58.036 58.200 -0.239 0.000 0.939 1208 S CB 0.121 62.893 63.200 -0.713 0.000 0.832 1208 S HN 0.578 nan 8.310 nan 0.000 0.486 1209 Q N 0.470 120.239 119.800 -0.051 0.000 2.084 1209 Q HA 0.343 4.692 4.340 0.014 0.000 0.230 1209 Q C 0.556 176.566 176.000 0.016 0.000 0.806 1209 Q CA 0.006 55.799 55.803 -0.016 0.000 1.083 1209 Q CB 1.018 29.735 28.738 -0.036 0.000 1.208 1209 Q HN 0.635 nan 8.270 nan 0.000 0.462 1210 G N 1.455 110.277 108.800 0.036 0.000 2.249 1210 G HA2 -0.279 3.690 3.960 0.014 0.000 0.273 1210 G HA3 -0.279 3.690 3.960 0.014 0.000 0.273 1210 G C -0.158 174.779 174.900 0.062 0.000 1.036 1210 G CA 0.365 45.497 45.100 0.053 0.000 0.824 1210 G HN 0.281 nan 8.290 nan 0.000 0.504 1211 L N -0.852 120.409 121.223 0.063 0.000 2.334 1211 L HA 0.659 5.007 4.340 0.014 0.000 0.273 1211 L C 0.894 177.832 176.870 0.112 0.000 1.013 1211 L CA -1.196 53.708 54.840 0.107 0.000 0.816 1211 L CB 1.524 43.659 42.059 0.127 0.000 1.278 1211 L HN 0.068 nan 8.230 nan 0.000 0.431 1212 R N 1.598 122.182 120.500 0.141 0.000 2.368 1212 R HA 0.781 5.130 4.340 0.014 0.000 0.302 1212 R C -0.783 175.613 176.300 0.160 0.000 1.002 1212 R CA -0.541 55.631 56.100 0.119 0.000 0.929 1212 R CB 1.658 32.009 30.300 0.084 0.000 1.073 1212 R HN 0.694 nan 8.270 nan 0.000 0.464 1213 A N 1.379 124.268 122.820 0.115 0.000 2.455 1213 A HA 0.748 5.076 4.320 0.014 0.000 0.300 1213 A C -0.735 176.893 177.584 0.072 0.000 1.040 1213 A CA -0.647 51.458 52.037 0.114 0.000 0.697 1213 A CB 2.126 21.167 19.000 0.069 0.000 1.265 1213 A HN 0.766 nan 8.150 nan 0.000 0.407 1214 G N -0.036 108.804 108.800 0.067 0.000 2.533 1214 G HA2 0.687 4.655 3.960 0.014 0.000 0.304 1214 G HA3 0.687 4.655 3.960 0.014 0.000 0.304 1214 G C -1.084 173.838 174.900 0.036 0.000 1.263 1214 G CA -0.590 44.532 45.100 0.037 0.000 0.964 1214 G HN 1.064 nan 8.290 nan 0.000 0.479 1215 M N 1.722 121.335 119.600 0.023 0.000 2.267 1215 M HA 0.720 5.208 4.480 0.014 0.000 0.289 1215 M C -1.773 174.537 176.300 0.016 0.000 1.043 1215 M CA -0.864 54.449 55.300 0.020 0.000 0.928 1215 M CB 1.911 34.520 32.600 0.015 0.000 1.613 1215 M HN 0.723 nan 8.290 nan 0.000 0.450 1216 V N 3.795 123.720 119.914 0.018 0.000 3.012 1216 V HA 1.048 5.176 4.120 0.014 0.000 0.307 1216 V C -1.843 174.264 176.094 0.021 0.000 1.166 1216 V CA 0.210 62.521 62.300 0.018 0.000 0.974 1216 V CB 2.159 33.991 31.823 0.015 0.000 1.040 1216 V HN 1.281 nan 8.190 nan 0.000 0.428 1217 A N 3.237 126.071 122.820 0.024 0.000 2.594 1217 A HA 0.903 5.232 4.320 0.014 0.000 0.295 1217 A C -0.348 177.254 177.584 0.030 0.000 1.071 1217 A CA -0.125 51.927 52.037 0.025 0.000 0.685 1217 A CB 1.780 20.794 19.000 0.022 0.000 1.285 1217 A HN 1.715 nan 8.150 nan 0.000 0.405 1218 G N 0.016 108.834 108.800 0.030 0.000 2.348 1218 G HA2 0.534 4.502 3.960 0.014 0.000 0.312 1218 G HA3 0.534 4.502 3.960 0.014 0.000 0.312 1218 G C -0.457 174.460 174.900 0.027 0.000 1.126 1218 G CA -0.362 44.757 45.100 0.033 0.000 0.865 1218 G HN 0.958 nan 8.290 nan 0.000 0.474 1219 V N 3.469 123.397 119.914 0.024 0.000 2.470 1219 V HA 0.118 4.247 4.120 0.014 0.000 0.276 1219 V C 1.329 177.434 176.094 0.017 0.000 1.040 1219 V CA 0.173 62.481 62.300 0.013 0.000 1.008 1219 V CB 0.869 32.691 31.823 -0.002 0.000 0.990 1219 V HN 0.771 nan 8.190 nan 0.000 0.477 1220 I N 3.074 123.657 120.570 0.023 0.000 4.154 1220 I HA 0.466 4.644 4.170 0.014 0.000 0.334 1220 I C -0.274 175.861 176.117 0.030 0.000 1.371 1220 I CA 0.049 61.366 61.300 0.028 0.000 1.110 1220 I CB 0.966 38.988 38.000 0.036 0.000 1.085 1220 I HN 0.356 nan 8.210 nan 0.000 0.398 1221 V N 0.859 120.787 119.914 0.024 0.000 2.969 1221 V HA 0.405 4.534 4.120 0.014 0.000 0.304 1221 V C -1.143 174.953 176.094 0.004 0.000 1.192 1221 V CA -0.701 61.612 62.300 0.022 0.000 0.962 1221 V CB 1.636 33.480 31.823 0.035 0.000 1.045 1221 V HN 0.254 nan 8.190 nan 0.000 0.428 1222 N N 2.614 121.314 118.700 0.001 0.000 2.444 1222 N HA 0.339 5.087 4.740 0.014 0.000 0.262 1222 N C 0.681 176.194 175.510 0.006 0.000 0.974 1222 N CA -0.572 52.469 53.050 -0.014 0.000 0.933 1222 N CB 1.690 40.161 38.487 -0.027 0.000 1.137 1222 N HN 0.557 nan 8.380 nan 0.000 0.498 1223 R N 0.985 121.493 120.500 0.014 0.000 2.276 1223 R HA -0.016 4.332 4.340 0.014 0.000 0.203 1223 R C 1.365 177.691 176.300 0.044 0.000 1.017 1223 R CA 0.696 56.822 56.100 0.043 0.000 1.010 1223 R CB -0.654 29.699 30.300 0.089 0.000 0.900 1223 R HN 0.670 nan 8.270 nan 0.000 0.469 1224 T N -2.686 111.881 114.554 0.021 0.000 3.160 1224 T HA 0.005 4.363 4.350 0.014 0.000 0.257 1224 T C 1.414 176.128 174.700 0.022 0.000 1.147 1224 T CA 0.736 62.849 62.100 0.022 0.000 1.064 1224 T CB 0.208 69.080 68.868 0.006 0.000 0.949 1224 T HN 0.238 nan 8.240 nan 0.000 0.526 1225 Q N 0.119 119.933 119.800 0.023 0.000 2.534 1225 Q HA 0.268 4.616 4.340 0.014 0.000 0.252 1225 Q C 0.560 176.579 176.000 0.032 0.000 0.850 1225 Q CA -0.079 55.738 55.803 0.023 0.000 0.974 1225 Q CB 0.703 29.451 28.738 0.016 0.000 1.205 1225 Q HN 0.784 nan 8.270 nan 0.000 0.593 1226 Q N -1.129 118.693 119.800 0.037 0.000 2.633 1226 Q HA 0.298 4.646 4.340 0.014 0.000 0.289 1226 Q C -0.645 175.386 176.000 0.052 0.000 0.940 1226 Q CA -0.502 55.329 55.803 0.047 0.000 0.785 1226 Q CB 0.951 29.716 28.738 0.044 0.000 1.467 1226 Q HN -0.045 nan 8.270 nan 0.000 0.401 1227 E N 0.101 120.340 120.200 0.066 0.000 2.190 1227 E HA 0.174 4.533 4.350 0.014 0.000 0.191 1227 E C -0.140 176.503 176.600 0.071 0.000 0.978 1227 E CA 0.607 57.043 56.400 0.060 0.000 0.839 1227 E CB 0.526 30.282 29.700 0.094 0.000 0.787 1227 E HN 0.391 nan 8.360 nan 0.000 0.473 1228 I N 1.279 121.910 120.570 0.101 0.000 2.582 1228 I HA 0.203 4.381 4.170 0.014 0.000 0.292 1228 I C -2.445 173.727 176.117 0.091 0.000 1.066 1228 I CA -2.786 58.593 61.300 0.131 0.000 1.053 1228 I CB 2.124 40.223 38.000 0.166 0.000 1.241 1228 I HN -0.201 nan 8.210 nan 0.000 0.421 1229 P HA 0.186 nan 4.420 nan 0.000 0.272 1229 P C -0.425 176.906 177.300 0.051 0.000 1.230 1229 P CA -0.117 63.019 63.100 0.060 0.000 0.788 1229 P CB 0.867 32.600 31.700 0.056 0.000 0.949 1230 N N 0.381 119.104 118.700 0.039 0.000 2.148 1230 N HA -0.051 4.697 4.740 0.014 0.000 0.186 1230 N C 1.386 176.913 175.510 0.027 0.000 1.031 1230 N CA 1.759 54.828 53.050 0.033 0.000 0.848 1230 N CB -0.458 38.045 38.487 0.027 0.000 1.005 1230 N HN 0.506 nan 8.380 nan 0.000 0.427 1231 A N 0.228 123.061 122.820 0.022 0.000 1.971 1231 A HA 0.260 4.588 4.320 0.014 0.000 0.200 1231 A C 0.724 178.318 177.584 0.017 0.000 1.658 1231 A CA 0.143 52.193 52.037 0.022 0.000 0.962 1231 A CB 0.235 19.249 19.000 0.024 0.000 1.053 1231 A HN 0.105 nan 8.150 nan 0.000 0.533 1232 E N -0.636 119.572 120.200 0.014 0.000 2.734 1232 E HA 0.178 4.536 4.350 0.014 0.000 0.211 1232 E C 0.688 177.293 176.600 0.009 0.000 0.991 1232 E CA 0.577 56.985 56.400 0.012 0.000 1.065 1232 E CB 0.911 30.617 29.700 0.010 0.000 1.047 1232 E HN 0.479 nan 8.360 nan 0.000 0.470 1233 T N -1.398 113.162 114.554 0.010 0.000 3.111 1233 T HA 0.289 4.648 4.350 0.014 0.000 0.236 1233 T C 0.568 175.276 174.700 0.012 0.000 0.984 1233 T CA 0.160 62.267 62.100 0.013 0.000 1.195 1233 T CB 0.214 69.091 68.868 0.016 0.000 0.929 1233 T HN 0.114 nan 8.240 nan 0.000 0.431 1239 S N 1.442 117.166 115.700 0.040 0.000 2.465 1239 S HA -0.226 4.252 4.470 0.014 0.000 0.241 1239 S C 1.478 176.051 174.600 -0.045 0.000 1.000 1239 S CA 1.499 59.683 58.200 -0.026 0.000 0.964 1239 S CB -0.341 62.813 63.200 -0.075 0.000 0.763 1239 S HN 0.615 nan 8.310 nan 0.000 0.512 1240 H N 1.870 120.933 119.070 -0.011 0.000 2.321 1240 H HA 0.152 4.716 4.556 0.014 0.000 0.300 1240 H C 2.550 177.872 175.328 -0.011 0.000 1.087 1240 H CA 1.841 57.883 56.048 -0.011 0.000 1.319 1240 H CB -0.561 29.196 29.762 -0.008 0.000 1.379 1240 H HN 0.584 nan 8.280 nan 0.000 0.501 1241 A N 0.078 122.967 122.820 0.115 0.000 1.930 1241 A HA -0.115 4.214 4.320 0.014 0.000 0.217 1241 A C 2.538 180.136 177.584 0.025 0.000 1.175 1241 A CA 1.527 53.599 52.037 0.058 0.000 0.627 1241 A CB -0.656 18.373 19.000 0.047 0.000 0.815 1241 A HN 0.250 nan 8.150 nan 0.000 0.443 1242 V N -0.139 119.780 119.914 0.009 0.000 2.358 1242 V HA -0.215 3.913 4.120 0.014 0.000 0.246 1242 V C 2.469 178.547 176.094 -0.027 0.000 1.047 1242 V CA 2.281 64.573 62.300 -0.014 0.000 1.035 1242 V CB -0.580 31.226 31.823 -0.028 0.000 0.658 1242 V HN 0.593 nan 8.190 nan 0.000 0.452 1243 K N -0.277 120.097 120.400 -0.042 0.000 2.148 1243 K HA -0.062 4.267 4.320 0.014 0.000 0.204 1243 K C 2.039 178.621 176.600 -0.030 0.000 1.050 1243 K CA 1.215 57.471 56.287 -0.053 0.000 0.942 1243 K CB -0.168 32.274 32.500 -0.097 0.000 0.724 1243 K HN 0.399 nan 8.250 nan 0.000 0.446 1244 I N -0.101 120.463 120.570 -0.010 0.000 2.252 1244 I HA -0.251 3.927 4.170 0.014 0.000 0.245 1244 I C 2.160 178.273 176.117 -0.007 0.000 1.102 1244 I CA 0.808 62.108 61.300 -0.001 0.000 1.385 1244 I CB -0.106 37.905 38.000 0.018 0.000 1.064 1244 I HN 0.031 nan 8.210 nan 0.000 0.414 1245 V N 0.377 120.288 119.914 -0.005 0.000 2.515 1245 V HA -0.189 3.939 4.120 0.014 0.000 0.250 1245 V C 2.287 178.374 176.094 -0.012 0.000 1.058 1245 V CA 1.518 63.815 62.300 -0.005 0.000 1.064 1245 V CB 0.182 32.005 31.823 0.001 0.000 0.675 1245 V HN 0.206 nan 8.190 nan 0.000 0.461 1246 V N -0.502 119.401 119.914 -0.017 0.000 2.323 1246 V HA -0.142 3.987 4.120 0.014 0.000 0.244 1246 V C 2.632 178.714 176.094 -0.020 0.000 1.041 1246 V CA 1.964 64.251 62.300 -0.020 0.000 1.025 1246 V CB -0.699 31.108 31.823 -0.026 0.000 0.656 1246 V HN 0.506 nan 8.190 nan 0.000 0.451 1247 E N 0.388 120.575 120.200 -0.021 0.000 2.097 1247 E HA -0.243 4.116 4.350 0.014 0.000 0.196 1247 E C 2.319 178.907 176.600 -0.021 0.000 1.000 1247 E CA 1.658 58.046 56.400 -0.020 0.000 0.804 1247 E CB -0.333 29.355 29.700 -0.019 0.000 0.740 1247 E HN 0.548 nan 8.360 nan 0.000 0.454 1248 A N 1.123 123.930 122.820 -0.020 0.000 1.877 1248 A HA -0.100 4.228 4.320 0.014 0.000 0.216 1248 A C 2.430 180.000 177.584 -0.024 0.000 1.186 1248 A CA 2.185 54.208 52.037 -0.024 0.000 0.620 1248 A CB -0.682 18.305 19.000 -0.022 0.000 0.822 1248 A HN 0.294 nan 8.150 nan 0.000 0.443 1249 A N -0.333 122.475 122.820 -0.021 0.000 1.978 1249 A HA -0.194 4.134 4.320 0.014 0.000 0.220 1249 A C 2.224 179.795 177.584 -0.023 0.000 1.170 1249 A CA 1.798 53.821 52.037 -0.023 0.000 0.636 1249 A CB -0.530 18.457 19.000 -0.022 0.000 0.810 1249 A HN 0.592 nan 8.150 nan 0.000 0.448 1250 R N -0.229 120.259 120.500 -0.021 0.000 2.081 1250 R HA -0.116 4.232 4.340 0.014 0.000 0.235 1250 R C 2.097 178.385 176.300 -0.019 0.000 1.131 1250 R CA 1.615 57.704 56.100 -0.019 0.000 0.960 1250 R CB -0.222 30.068 30.300 -0.017 0.000 0.856 1250 R HN 0.525 nan 8.270 nan 0.000 0.436 1251 R N -0.110 120.377 120.500 -0.021 0.000 2.235 1251 R HA 0.022 4.371 4.340 0.014 0.000 0.213 1251 R C 1.492 177.779 176.300 -0.021 0.000 1.059 1251 R CA 0.623 56.710 56.100 -0.022 0.000 0.997 1251 R CB 0.115 30.399 30.300 -0.028 0.000 0.884 1251 R HN 0.280 nan 8.270 nan 0.000 0.462 1252 L N 0.465 121.674 121.223 -0.022 0.000 2.728 1252 L HA 0.239 4.587 4.340 0.014 0.000 0.238 1252 L C 0.427 177.284 176.870 -0.022 0.000 1.143 1252 L CA -0.199 54.629 54.840 -0.021 0.000 0.937 1252 L CB 0.250 42.294 42.059 -0.024 0.000 1.225 1252 L HN 0.046 nan 8.230 nan 0.000 0.507 1253 L N 0.000 121.211 121.223 -0.021 0.000 2.949 1253 L HA 0.000 4.348 4.340 0.014 0.000 0.249 1253 L CA 0.000 54.827 54.840 -0.021 0.000 0.813 1253 L CB 0.000 42.047 42.059 -0.020 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502