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 3khh_1_B DATA FIRST_RESID 1001 DATA SEQUENCE GIVLFVDFDY FYAQVEEVLN PSLKGKPVVV CVFSGRFEDS GAVATANYEA DATA SEQUENCE RKFGVKAGIP IVEAKKILPN AVYLPMRKEV YQQVSSRIMN LLREYSEKIE DATA SEQUENCE IASIDEAYLD ISDKVRDYRE AYNLGLEIKN KILEKEKITV TVGISKNKVF DATA SEQUENCE AKIAADMAKP NGIKVIDDEE VKRLIRELDI ADVPGIGNIT AEKLKKLGIN DATA SEQUENCE KLVDTLSIEF DKLKGMIGEA KAKYLISLAR DEYNEPIRTR VRKSIGRIVT DATA SEQUENCE MKRNSRNLEE IKPYLFRAIE ESYYKLDKRI PKAIHVVAVT EDLDIVSRGR DATA SEQUENCE TFPHGISKET AYSESVKLLQ KILEEDERKI RRIGVRFSKF I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 G HA2 0.000 nan 3.960 nan 0.000 0.244 1001 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 1001 G C 0.000 174.934 174.900 0.056 0.000 0.946 1001 G CA 0.000 45.128 45.100 0.047 0.000 0.502 1002 I N 1.458 122.058 120.570 0.051 0.000 2.512 1002 I HA 0.427 4.598 4.170 0.002 0.000 0.287 1002 I C -0.457 175.742 176.117 0.135 0.000 1.069 1002 I CA -1.075 60.274 61.300 0.081 0.000 1.056 1002 I CB 2.378 40.344 38.000 -0.055 0.000 1.229 1002 I HN 0.259 nan 8.210 nan 0.000 0.429 1003 V N 6.868 126.905 119.914 0.206 0.000 2.459 1003 V HA 0.434 4.555 4.120 0.002 0.000 0.295 1003 V C -0.314 175.929 176.094 0.247 0.000 1.029 1003 V CA -0.652 61.787 62.300 0.231 0.000 0.874 1003 V CB 2.271 34.261 31.823 0.279 0.000 0.985 1003 V HN 0.506 nan 8.190 nan 0.000 0.438 1004 L N 5.573 126.925 121.223 0.215 0.000 2.294 1004 L HA 0.586 4.927 4.340 0.002 0.000 0.283 1004 L C -1.126 175.850 176.870 0.178 0.000 1.015 1004 L CA -0.479 54.464 54.840 0.172 0.000 0.831 1004 L CB 0.821 42.934 42.059 0.090 0.000 1.217 1004 L HN 0.671 nan 8.230 nan 0.000 0.420 1005 F N 6.082 126.031 119.950 -0.002 0.000 2.415 1005 F HA 0.579 5.107 4.527 0.001 0.000 0.348 1005 F C -0.918 174.781 175.800 -0.169 0.000 1.119 1005 F CA -0.550 57.343 58.000 -0.179 0.000 1.069 1005 F CB 1.344 40.186 39.000 -0.263 0.000 1.124 1005 F HN 0.078 nan 8.300 nan 0.000 0.472 1006 V N 5.880 125.232 119.914 -0.936 0.000 2.435 1006 V HA 0.334 4.455 4.120 0.002 0.000 0.290 1006 V C -0.871 174.539 176.094 -1.140 0.000 1.030 1006 V CA -0.649 61.199 62.300 -0.754 0.000 0.881 1006 V CB 1.488 33.127 31.823 -0.307 0.000 0.983 1006 V HN 0.705 nan 8.190 nan 0.000 0.445 1007 D N 3.832 123.775 120.400 -0.761 0.000 2.593 1007 D HA 0.386 5.027 4.640 0.002 0.000 0.251 1007 D C -1.033 175.175 176.300 -0.154 0.000 1.140 1007 D CA -0.434 53.212 54.000 -0.590 0.000 0.855 1007 D CB 1.478 42.048 40.800 -0.383 0.000 1.267 1007 D HN 0.158 nan 8.370 nan 0.000 0.532 1008 F N 1.861 121.643 119.950 -0.280 0.000 2.456 1008 F HA 0.236 4.764 4.527 0.001 0.000 0.358 1008 F C 1.208 176.963 175.800 -0.074 0.000 1.095 1008 F CA -0.859 57.028 58.000 -0.189 0.000 1.216 1008 F CB 0.216 39.041 39.000 -0.292 0.000 1.125 1008 F HN 0.085 nan 8.300 nan 0.000 0.549 1009 D N 2.757 123.241 120.400 0.140 0.000 2.350 1009 D HA 0.027 4.668 4.640 0.002 0.000 0.249 1009 D C 0.332 176.624 176.300 -0.014 0.000 1.119 1009 D CA -0.017 54.073 54.000 0.150 0.000 0.886 1009 D CB 0.354 41.265 40.800 0.185 0.000 1.195 1009 D HN 0.662 nan 8.370 nan 0.000 0.437 1010 Y N -0.001 120.422 120.300 0.205 0.000 2.987 1010 Y HA -0.341 4.210 4.550 0.001 0.000 0.218 1010 Y C 0.612 176.536 175.900 0.040 0.000 1.099 1010 Y CA -0.357 57.780 58.100 0.063 0.000 0.818 1010 Y CB -2.225 36.248 38.460 0.023 0.000 1.114 1010 Y HN 0.324 nan 8.280 nan 0.000 0.451 1011 F N 1.716 121.544 119.950 -0.204 0.000 2.046 1011 F HA -0.226 4.302 4.527 0.002 0.000 0.297 1011 F C 1.998 177.667 175.800 -0.218 0.000 1.123 1011 F CA 1.805 59.669 58.000 -0.227 0.000 1.199 1011 F CB -0.625 38.294 39.000 -0.136 0.000 0.972 1011 F HN 0.338 nan 8.300 nan 0.000 0.474 1012 Y N 0.486 120.465 120.300 -0.535 0.000 2.145 1012 Y HA -0.093 4.459 4.550 0.002 0.000 0.286 1012 Y C 2.699 178.235 175.900 -0.607 0.000 1.145 1012 Y CA 0.733 58.211 58.100 -1.035 0.000 1.148 1012 Y CB -1.843 36.073 38.460 -0.907 0.000 0.981 1012 Y HN 0.170 nan 8.280 nan 0.000 0.507 1013 A N -0.325 122.445 122.820 -0.084 0.000 1.969 1013 A HA -0.229 4.092 4.320 0.002 0.000 0.218 1013 A C 2.259 179.885 177.584 0.071 0.000 1.169 1013 A CA 1.623 53.698 52.037 0.063 0.000 0.635 1013 A CB -0.738 18.376 19.000 0.190 0.000 0.810 1013 A HN 0.531 nan 8.150 nan 0.000 0.445 1014 Q N -0.455 119.276 119.800 -0.116 0.000 2.167 1014 Q HA -0.089 4.252 4.340 0.002 0.000 0.202 1014 Q C 1.963 177.849 176.000 -0.191 0.000 0.970 1014 Q CA 1.382 57.029 55.803 -0.261 0.000 0.855 1014 Q CB -0.124 28.168 28.738 -0.742 0.000 0.911 1014 Q HN 0.462 nan 8.270 nan 0.000 0.438 1015 V N 1.271 121.006 119.914 -0.298 0.000 2.343 1015 V HA -0.238 3.883 4.120 0.002 0.000 0.247 1015 V C 2.154 178.234 176.094 -0.023 0.000 1.051 1015 V CA 1.732 63.918 62.300 -0.190 0.000 1.036 1015 V CB -0.400 31.280 31.823 -0.239 0.000 0.654 1015 V HN 0.360 nan 8.190 nan 0.000 0.451 1016 E N 0.092 120.303 120.200 0.018 0.000 2.085 1016 E HA -0.255 4.096 4.350 0.002 0.000 0.194 1016 E C 2.155 178.781 176.600 0.044 0.000 0.994 1016 E CA 1.465 57.904 56.400 0.065 0.000 0.801 1016 E CB -0.299 29.451 29.700 0.085 0.000 0.743 1016 E HN 0.711 nan 8.360 nan 0.000 0.453 1017 E N 0.446 120.673 120.200 0.046 0.000 2.118 1017 E HA -0.138 4.213 4.350 0.002 0.000 0.195 1017 E C 2.245 178.863 176.600 0.031 0.000 0.992 1017 E CA 1.143 57.575 56.400 0.053 0.000 0.804 1017 E CB -0.045 29.713 29.700 0.097 0.000 0.741 1017 E HN 0.053 nan 8.360 nan 0.000 0.458 1018 V N 1.072 120.992 119.914 0.011 0.000 2.427 1018 V HA -0.213 3.908 4.120 0.002 0.000 0.248 1018 V C 2.098 178.199 176.094 0.012 0.000 1.051 1018 V CA 1.163 63.466 62.300 0.005 0.000 1.048 1018 V CB -0.245 31.571 31.823 -0.012 0.000 0.666 1018 V HN 0.198 nan 8.190 nan 0.000 0.456 1019 L N -0.253 120.981 121.223 0.018 0.000 2.240 1019 L HA 0.107 4.448 4.340 0.002 0.000 0.211 1019 L C 1.141 178.022 176.870 0.017 0.000 1.106 1019 L CA 1.379 56.230 54.840 0.018 0.000 0.793 1019 L CB -0.822 41.251 42.059 0.023 0.000 0.927 1019 L HN 0.478 nan 8.230 nan 0.000 0.446 1020 N N -0.819 117.894 118.700 0.022 0.000 2.690 1020 N HA 0.198 4.939 4.740 0.002 0.000 0.255 1020 N C -2.247 173.278 175.510 0.024 0.000 1.195 1020 N CA -1.092 51.970 53.050 0.021 0.000 0.790 1020 N CB 1.437 39.937 38.487 0.022 0.000 1.216 1020 N HN -0.180 nan 8.380 nan 0.000 0.528 1021 P HA 0.020 nan 4.420 nan 0.000 0.239 1021 P C 0.404 177.719 177.300 0.025 0.000 1.184 1021 P CA 0.617 63.732 63.100 0.025 0.000 0.760 1021 P CB 0.289 32.001 31.700 0.019 0.000 0.884 1022 S N -0.795 114.918 115.700 0.022 0.000 2.489 1022 S HA -0.009 4.462 4.470 0.002 0.000 0.228 1022 S C 1.455 176.068 174.600 0.022 0.000 0.995 1022 S CA 0.607 58.819 58.200 0.020 0.000 0.934 1022 S CB -0.540 62.669 63.200 0.016 0.000 0.771 1022 S HN 0.089 nan 8.310 nan 0.000 0.522 1023 L N 1.163 122.401 121.223 0.026 0.000 2.376 1023 L HA 0.229 4.570 4.340 0.002 0.000 0.219 1023 L C 0.914 177.806 176.870 0.037 0.000 1.133 1023 L CA 0.807 55.664 54.840 0.027 0.000 0.816 1023 L CB -0.996 41.083 42.059 0.033 0.000 0.933 1023 L HN 0.074 nan 8.230 nan 0.000 0.449 1024 K N 0.594 121.021 120.400 0.044 0.000 2.416 1024 K HA 0.357 4.678 4.320 0.002 0.000 0.283 1024 K C 1.118 177.743 176.600 0.042 0.000 1.037 1024 K CA 0.833 57.154 56.287 0.056 0.000 0.995 1024 K CB -0.106 32.427 32.500 0.055 0.000 0.938 1024 K HN 0.262 nan 8.250 nan 0.000 0.475 1025 G N 3.117 111.943 108.800 0.043 0.000 2.147 1025 G HA2 -0.224 3.737 3.960 0.002 0.000 0.244 1025 G HA3 -0.224 3.737 3.960 0.002 0.000 0.244 1025 G C -0.364 174.552 174.900 0.027 0.000 1.005 1025 G CA 0.294 45.412 45.100 0.031 0.000 0.713 1025 G HN 0.502 nan 8.290 nan 0.000 0.515 1026 K N -0.373 120.039 120.400 0.020 0.000 2.443 1026 K HA 0.499 4.820 4.320 0.002 0.000 0.251 1026 K C -2.972 173.623 176.600 -0.007 0.000 0.972 1026 K CA -2.147 54.147 56.287 0.010 0.000 0.833 1026 K CB 2.356 34.858 32.500 0.003 0.000 1.317 1026 K HN -0.117 nan 8.250 nan 0.000 0.441 1027 P HA 0.090 nan 4.420 nan 0.000 0.266 1027 P C -0.839 176.393 177.300 -0.112 0.000 1.215 1027 P CA -0.131 62.934 63.100 -0.058 0.000 0.763 1027 P CB 0.420 32.066 31.700 -0.091 0.000 0.806 1028 V N 5.514 125.362 119.914 -0.111 0.000 2.482 1028 V HA 0.319 4.440 4.120 0.002 0.000 0.295 1028 V C -0.209 175.809 176.094 -0.126 0.000 1.026 1028 V CA -0.572 61.663 62.300 -0.108 0.000 0.856 1028 V CB 2.371 34.184 31.823 -0.016 0.000 1.001 1028 V HN 0.164 nan 8.190 nan 0.000 0.424 1029 V N 5.613 125.406 119.914 -0.202 0.000 2.483 1029 V HA 0.481 4.602 4.120 0.002 0.000 0.297 1029 V C -0.264 175.831 176.094 0.002 0.000 1.027 1029 V CA -0.669 61.545 62.300 -0.144 0.000 0.855 1029 V CB 2.110 33.758 31.823 -0.293 0.000 0.995 1029 V HN 0.581 nan 8.190 nan 0.000 0.424 1030 V N 4.025 123.982 119.914 0.072 0.000 2.407 1030 V HA 0.501 4.622 4.120 0.002 0.000 0.278 1030 V C -0.033 176.147 176.094 0.143 0.000 1.037 1030 V CA -0.175 62.212 62.300 0.146 0.000 0.900 1030 V CB 1.338 33.255 31.823 0.157 0.000 0.983 1030 V HN 1.022 nan 8.190 nan 0.000 0.459 1031 C N 3.890 123.292 119.300 0.170 0.000 2.802 1031 C HA 0.638 5.099 4.460 0.002 0.000 0.307 1031 C C -0.033 174.970 174.990 0.022 0.000 1.222 1031 C CA -0.875 58.146 59.018 0.006 0.000 1.580 1031 C CB 1.939 29.524 27.740 -0.257 0.000 2.119 1031 C HN 0.574 nan 8.230 nan 0.000 0.479 1032 V N 2.404 122.264 119.914 -0.090 0.000 2.318 1032 V HA 0.305 4.426 4.120 0.002 0.000 0.271 1032 V C -0.599 175.405 176.094 -0.151 0.000 1.030 1032 V CA 0.024 62.315 62.300 -0.015 0.000 0.844 1032 V CB -0.030 31.801 31.823 0.013 0.000 1.015 1032 V HN 0.691 nan 8.190 nan 0.000 0.460 1033 F N 3.571 123.518 119.950 -0.006 0.000 2.421 1033 F HA 0.207 4.735 4.527 0.002 0.000 0.358 1033 F C 1.674 177.444 175.800 -0.049 0.000 1.115 1033 F CA 0.018 57.992 58.000 -0.044 0.000 1.160 1033 F CB 1.563 40.542 39.000 -0.036 0.000 1.123 1033 F HN 0.601 nan 8.300 nan 0.000 0.508 1034 S N 1.679 117.386 115.700 0.012 0.000 2.478 1034 S HA 0.187 4.658 4.470 0.002 0.000 0.222 1034 S C 1.737 176.342 174.600 0.008 0.000 1.008 1034 S CA 0.381 58.577 58.200 -0.007 0.000 0.928 1034 S CB -0.095 63.058 63.200 -0.078 0.000 0.781 1034 S HN 1.159 nan 8.310 nan 0.000 0.518 1035 G N 1.706 110.497 108.800 -0.014 0.000 2.148 1035 G HA2 -0.306 3.655 3.960 0.002 0.000 0.254 1035 G HA3 -0.306 3.655 3.960 0.002 0.000 0.254 1035 G C 0.878 175.773 174.900 -0.008 0.000 0.981 1035 G CA 0.458 45.563 45.100 0.007 0.000 0.670 1035 G HN 0.536 nan 8.290 nan 0.000 0.528 1036 R N -0.917 119.537 120.500 -0.077 0.000 2.090 1036 R HA 0.290 4.631 4.340 0.002 0.000 0.228 1036 R C 1.247 177.633 176.300 0.143 0.000 1.110 1036 R CA 1.721 57.828 56.100 0.013 0.000 0.973 1036 R CB -0.082 30.229 30.300 0.019 0.000 0.869 1036 R HN 0.807 nan 8.270 nan 0.000 0.440 1037 F N -1.945 118.027 119.950 0.036 0.000 2.789 1037 F HA 0.362 4.890 4.527 0.002 0.000 0.319 1037 F C -0.933 174.897 175.800 0.050 0.000 1.168 1037 F CA -1.923 56.097 58.000 0.033 0.000 0.934 1037 F CB 0.695 39.706 39.000 0.019 0.000 1.375 1037 F HN -0.343 nan 8.300 nan 0.000 0.480 1038 E N 1.228 121.596 120.200 0.281 0.000 2.498 1038 E HA 0.117 4.468 4.350 0.002 0.000 0.252 1038 E C -0.427 176.245 176.600 0.120 0.000 1.025 1038 E CA 1.120 57.620 56.400 0.168 0.000 0.938 1038 E CB -0.448 29.355 29.700 0.171 0.000 0.947 1038 E HN 0.647 nan 8.360 nan 0.000 0.478 1039 D N 2.021 122.446 120.400 0.042 0.000 3.077 1039 D HA -0.186 4.455 4.640 0.002 0.000 0.212 1039 D C -0.677 175.465 176.300 -0.264 0.000 1.125 1039 D CA 1.264 55.281 54.000 0.028 0.000 0.970 1039 D CB -1.687 39.152 40.800 0.065 0.000 1.110 1039 D HN 0.525 nan 8.370 nan 0.000 0.419 1040 S N -0.476 114.811 115.700 -0.688 0.000 2.560 1040 S HA 0.518 4.989 4.470 0.002 0.000 0.284 1040 S C 0.931 175.263 174.600 -0.447 0.000 1.327 1040 S CA 0.757 58.379 58.200 -0.964 0.000 1.055 1040 S CB 2.116 64.453 63.200 -1.439 0.000 0.868 1040 S HN 1.041 nan 8.310 nan 0.000 0.506 1041 G N 0.995 109.600 108.800 -0.326 0.000 2.293 1041 G HA2 0.535 4.496 3.960 0.002 0.000 0.282 1041 G HA3 0.535 4.496 3.960 0.002 0.000 0.282 1041 G C -0.803 173.974 174.900 -0.204 0.000 1.299 1041 G CA -0.199 44.753 45.100 -0.245 0.000 1.018 1041 G HN 1.901 nan 8.290 nan 0.000 0.478 1042 A N -1.652 121.057 122.820 -0.185 0.000 2.594 1042 A HA 0.868 5.189 4.320 0.002 0.000 0.291 1042 A C -0.412 177.112 177.584 -0.100 0.000 1.105 1042 A CA 0.004 51.971 52.037 -0.116 0.000 0.694 1042 A CB 1.487 20.455 19.000 -0.053 0.000 1.291 1042 A HN 1.944 nan 8.150 nan 0.000 0.410 1043 V N 1.539 121.427 119.914 -0.043 0.000 2.521 1043 V HA 0.369 4.490 4.120 0.002 0.000 0.286 1043 V C 1.366 177.477 176.094 0.029 0.000 1.034 1043 V CA 0.852 63.152 62.300 0.001 0.000 1.045 1043 V CB 0.566 32.404 31.823 0.025 0.000 0.974 1043 V HN 1.218 nan 8.190 nan 0.000 0.480 1044 A N 4.215 127.076 122.820 0.069 0.000 1.871 1044 A HA 0.266 4.587 4.320 0.002 0.000 0.211 1044 A C 1.128 178.782 177.584 0.116 0.000 1.207 1044 A CA 1.156 53.272 52.037 0.131 0.000 0.620 1044 A CB 0.258 19.392 19.000 0.224 0.000 0.860 1044 A HN 0.716 nan 8.150 nan 0.000 0.450 1045 T N -1.696 112.922 114.554 0.107 0.000 2.982 1045 T HA 0.583 4.934 4.350 0.002 0.000 0.321 1045 T C -1.574 173.141 174.700 0.025 0.000 1.229 1045 T CA 0.166 62.294 62.100 0.046 0.000 1.044 1045 T CB 1.465 70.342 68.868 0.015 0.000 1.184 1045 T HN 0.994 nan 8.240 nan 0.000 0.477 1046 A N 3.516 126.319 122.820 -0.028 0.000 2.401 1046 A HA 0.801 5.122 4.320 0.002 0.000 0.310 1046 A C -0.091 177.412 177.584 -0.135 0.000 1.075 1046 A CA -0.929 51.068 52.037 -0.068 0.000 0.746 1046 A CB 1.179 20.128 19.000 -0.086 0.000 1.277 1046 A HN 0.945 nan 8.150 nan 0.000 0.425 1047 N N 0.134 118.736 118.700 -0.164 0.000 2.381 1047 N HA 0.134 4.875 4.740 0.002 0.000 0.254 1047 N C 0.193 175.436 175.510 -0.444 0.000 1.264 1047 N CA -0.014 52.768 53.050 -0.446 0.000 0.942 1047 N CB -0.090 38.153 38.487 -0.407 0.000 1.190 1047 N HN 0.558 nan 8.380 nan 0.000 0.495 1048 Y N -0.747 119.238 120.300 -0.525 0.000 2.333 1048 Y HA -0.093 4.458 4.550 0.002 0.000 0.290 1048 Y C 1.885 177.692 175.900 -0.155 0.000 1.144 1048 Y CA 1.227 59.164 58.100 -0.272 0.000 1.228 1048 Y CB -0.123 38.188 38.460 -0.248 0.000 0.985 1048 Y HN 0.580 nan 8.280 nan 0.000 0.542 1049 E N 0.093 120.279 120.200 -0.022 0.000 2.051 1049 E HA -0.205 4.146 4.350 0.002 0.000 0.192 1049 E C 2.407 179.089 176.600 0.137 0.000 0.991 1049 E CA 1.420 57.851 56.400 0.052 0.000 0.799 1049 E CB -0.559 29.168 29.700 0.046 0.000 0.748 1049 E HN 0.400 nan 8.360 nan 0.000 0.449 1050 A N 0.718 123.566 122.820 0.048 0.000 1.930 1050 A HA -0.151 4.170 4.320 0.002 0.000 0.217 1050 A C 2.050 179.680 177.584 0.077 0.000 1.175 1050 A CA 1.373 53.455 52.037 0.076 0.000 0.627 1050 A CB -0.326 18.646 19.000 -0.047 0.000 0.815 1050 A HN 0.064 nan 8.150 nan 0.000 0.443 1051 R N -0.290 120.184 120.500 -0.042 0.000 2.096 1051 R HA -0.092 4.249 4.340 0.002 0.000 0.235 1051 R C 1.963 178.243 176.300 -0.033 0.000 1.127 1051 R CA 1.238 57.293 56.100 -0.074 0.000 0.968 1051 R CB -0.222 29.948 30.300 -0.217 0.000 0.861 1051 R HN 0.312 nan 8.270 nan 0.000 0.440 1052 K N 0.192 120.559 120.400 -0.055 0.000 2.127 1052 K HA -0.170 4.151 4.320 0.002 0.000 0.208 1052 K C 1.632 178.070 176.600 -0.270 0.000 1.047 1052 K CA 1.493 57.666 56.287 -0.190 0.000 0.927 1052 K CB -0.285 32.017 32.500 -0.331 0.000 0.716 1052 K HN 0.212 nan 8.250 nan 0.000 0.450 1053 F N -0.325 119.616 119.950 -0.014 0.000 2.773 1053 F HA 0.148 4.676 4.527 0.002 0.000 0.304 1053 F C 1.507 177.305 175.800 -0.003 0.000 1.129 1053 F CA 0.580 58.577 58.000 -0.005 0.000 1.378 1053 F CB 0.279 39.278 39.000 -0.001 0.000 1.095 1053 F HN 0.244 nan 8.300 nan 0.000 0.565 1054 G N 0.247 109.108 108.800 0.102 0.000 2.176 1054 G HA2 -0.239 3.722 3.960 0.002 0.000 0.232 1054 G HA3 -0.239 3.722 3.960 0.002 0.000 0.232 1054 G C 0.212 175.142 174.900 0.052 0.000 0.986 1054 G CA -0.044 45.092 45.100 0.060 0.000 0.643 1054 G HN 0.439 nan 8.290 nan 0.000 0.522 1055 V N -0.344 119.608 119.914 0.065 0.000 2.686 1055 V HA 0.832 4.953 4.120 0.002 0.000 0.295 1055 V C 0.061 176.155 176.094 -0.000 0.000 1.055 1055 V CA 0.411 62.736 62.300 0.042 0.000 1.050 1055 V CB 1.386 33.243 31.823 0.058 0.000 0.984 1055 V HN 1.037 nan 8.190 nan 0.000 0.482 1056 K N 3.607 124.007 120.400 -0.000 0.000 2.579 1056 K HA 0.802 5.123 4.320 0.002 0.000 0.284 1056 K C -0.609 175.987 176.600 -0.006 0.000 0.990 1056 K CA -0.517 55.757 56.287 -0.021 0.000 0.880 1056 K CB 1.769 34.254 32.500 -0.024 0.000 1.488 1056 K HN 1.243 nan 8.250 nan 0.000 0.425 1057 A N 0.371 123.185 122.820 -0.010 0.000 2.566 1057 A HA 0.419 4.740 4.320 0.002 0.000 0.245 1057 A C 1.232 178.821 177.584 0.009 0.000 1.056 1057 A CA 1.403 53.444 52.037 0.007 0.000 0.757 1057 A CB -1.245 17.759 19.000 0.007 0.000 0.979 1057 A HN 1.484 nan 8.150 nan 0.000 0.508 1058 G N 1.582 110.389 108.800 0.012 0.000 2.339 1058 G HA2 -0.177 3.784 3.960 0.002 0.000 0.209 1058 G HA3 -0.177 3.784 3.960 0.002 0.000 0.209 1058 G C 0.376 175.279 174.900 0.004 0.000 1.015 1058 G CA 0.147 45.252 45.100 0.009 0.000 0.635 1058 G HN 1.999 nan 8.290 nan 0.000 0.499 1059 I N 1.163 121.737 120.570 0.006 0.000 2.696 1059 I HA 0.647 4.818 4.170 0.002 0.000 0.284 1059 I C -2.125 173.990 176.117 -0.002 0.000 1.129 1059 I CA -2.095 59.210 61.300 0.008 0.000 1.410 1059 I CB 0.396 38.407 38.000 0.018 0.000 1.399 1059 I HN -0.033 nan 8.210 nan 0.000 0.579 1060 P HA 0.178 nan 4.420 nan 0.000 0.269 1060 P C 0.635 177.912 177.300 -0.038 0.000 1.209 1060 P CA 0.025 63.113 63.100 -0.020 0.000 0.776 1060 P CB 0.623 32.330 31.700 0.011 0.000 0.876 1061 I N 2.083 122.591 120.570 -0.102 0.000 2.179 1061 I HA -0.234 3.937 4.170 0.002 0.000 0.242 1061 I C 2.214 178.262 176.117 -0.115 0.000 1.088 1061 I CA 1.612 62.822 61.300 -0.150 0.000 1.357 1061 I CB -0.636 37.166 38.000 -0.330 0.000 1.051 1061 I HN 0.225 nan 8.210 nan 0.000 0.409 1062 V N -0.823 119.053 119.914 -0.062 0.000 2.469 1062 V HA -0.275 3.846 4.120 0.002 0.000 0.251 1062 V C 2.245 178.328 176.094 -0.019 0.000 1.064 1062 V CA 2.190 64.475 62.300 -0.026 0.000 1.066 1062 V CB -0.969 30.890 31.823 0.061 0.000 0.667 1062 V HN 0.541 nan 8.190 nan 0.000 0.461 1063 E N 1.224 121.423 120.200 -0.001 0.000 2.107 1063 E HA -0.039 4.312 4.350 0.002 0.000 0.191 1063 E C 2.151 178.767 176.600 0.028 0.000 0.982 1063 E CA 1.287 57.696 56.400 0.015 0.000 0.809 1063 E CB -0.423 29.289 29.700 0.021 0.000 0.756 1063 E HN 0.672 nan 8.360 nan 0.000 0.459 1064 A N 1.471 124.315 122.820 0.039 0.000 1.898 1064 A HA -0.170 4.151 4.320 0.002 0.000 0.216 1064 A C 2.019 179.686 177.584 0.138 0.000 1.181 1064 A CA 1.503 53.614 52.037 0.123 0.000 0.620 1064 A CB -0.382 18.759 19.000 0.234 0.000 0.819 1064 A HN 0.109 nan 8.150 nan 0.000 0.442 1065 K N 0.082 120.459 120.400 -0.038 0.000 2.147 1065 K HA -0.127 4.194 4.320 0.002 0.000 0.205 1065 K C 1.765 178.359 176.600 -0.008 0.000 1.049 1065 K CA 1.529 57.749 56.287 -0.112 0.000 0.936 1065 K CB -0.240 32.092 32.500 -0.281 0.000 0.722 1065 K HN 0.456 nan 8.250 nan 0.000 0.446 1066 K N 0.282 120.681 120.400 -0.001 0.000 2.288 1066 K HA 0.015 4.336 4.320 0.002 0.000 0.201 1066 K C 1.968 178.582 176.600 0.023 0.000 1.048 1066 K CA 0.495 56.788 56.287 0.009 0.000 0.956 1066 K CB 0.143 32.648 32.500 0.009 0.000 0.746 1066 K HN -0.004 nan 8.250 nan 0.000 0.461 1067 I N 0.188 120.783 120.570 0.042 0.000 2.385 1067 I HA -0.040 4.131 4.170 0.002 0.000 0.244 1067 I C 0.761 176.880 176.117 0.003 0.000 1.089 1067 I CA 1.025 62.352 61.300 0.046 0.000 1.410 1067 I CB -0.220 37.826 38.000 0.077 0.000 1.117 1067 I HN 0.031 nan 8.210 nan 0.000 0.429 1068 L N 2.922 124.163 121.223 0.031 0.000 2.408 1068 L HA 0.230 4.571 4.340 0.002 0.000 0.257 1068 L C -1.488 175.443 176.870 0.102 0.000 1.053 1068 L CA -1.149 53.674 54.840 -0.029 0.000 0.922 1068 L CB 1.745 43.758 42.059 -0.075 0.000 1.261 1068 L HN -0.057 nan 8.230 nan 0.000 0.458 1069 P HA -0.093 nan 4.420 nan 0.000 0.219 1069 P C 0.468 177.836 177.300 0.113 0.000 1.150 1069 P CA 1.191 64.333 63.100 0.070 0.000 0.814 1069 P CB 0.265 31.974 31.700 0.016 0.000 0.787 1070 N N -0.529 118.200 118.700 0.049 0.000 2.276 1070 N HA 0.253 4.994 4.740 0.002 0.000 0.212 1070 N C 0.374 175.895 175.510 0.019 0.000 1.127 1070 N CA -0.369 52.704 53.050 0.038 0.000 0.834 1070 N CB 0.080 38.563 38.487 -0.008 0.000 1.014 1070 N HN 0.116 nan 8.380 nan 0.000 0.491 1071 A N 0.290 123.128 122.820 0.031 0.000 2.366 1071 A HA 0.316 4.637 4.320 0.002 0.000 0.249 1071 A C 0.239 177.717 177.584 -0.177 0.000 1.084 1071 A CA -0.292 51.654 52.037 -0.153 0.000 0.794 1071 A CB 0.493 19.271 19.000 -0.369 0.000 1.034 1071 A HN 0.057 nan 8.150 nan 0.000 0.491 1072 V N 2.154 121.924 119.914 -0.239 0.000 2.389 1072 V HA 0.177 4.298 4.120 0.002 0.000 0.264 1072 V C -0.991 174.953 176.094 -0.251 0.000 1.049 1072 V CA 0.193 62.418 62.300 -0.124 0.000 0.932 1072 V CB -0.528 31.266 31.823 -0.048 0.000 1.011 1072 V HN 0.642 nan 8.190 nan 0.000 0.475 1073 Y N 5.738 126.089 120.300 0.085 0.000 2.353 1073 Y HA 0.623 5.175 4.550 0.002 0.000 0.340 1073 Y C 0.132 176.137 175.900 0.175 0.000 0.972 1073 Y CA -0.449 57.740 58.100 0.148 0.000 1.157 1073 Y CB 1.149 39.728 38.460 0.200 0.000 1.157 1073 Y HN 0.436 nan 8.280 nan 0.000 0.495 1074 L N 6.316 127.714 121.223 0.291 0.000 2.342 1074 L HA 0.606 4.947 4.340 0.002 0.000 0.271 1074 L C -2.368 174.709 176.870 0.346 0.000 1.008 1074 L CA -2.378 52.603 54.840 0.234 0.000 0.818 1074 L CB 2.376 44.523 42.059 0.148 0.000 1.296 1074 L HN 0.363 nan 8.230 nan 0.000 0.427 1075 P HA 0.115 nan 4.420 nan 0.000 0.276 1075 P C -0.609 176.813 177.300 0.202 0.000 1.244 1075 P CA -0.697 62.573 63.100 0.283 0.000 0.801 1075 P CB 0.838 32.581 31.700 0.072 0.000 1.006 1076 M N 2.483 122.198 119.600 0.192 0.000 2.252 1076 M HA 0.016 4.497 4.480 0.002 0.000 0.348 1076 M C 0.496 176.779 176.300 -0.028 0.000 1.334 1076 M CA 1.175 56.552 55.300 0.128 0.000 1.071 1076 M CB -0.307 32.348 32.600 0.091 0.000 1.763 1076 M HN 0.185 nan 8.290 nan 0.000 0.452 1077 R N 3.695 124.050 120.500 -0.242 0.000 2.651 1077 R HA 0.113 4.454 4.340 0.002 0.000 0.282 1077 R C 0.561 176.195 176.300 -1.109 0.000 1.565 1077 R CA -0.388 55.352 56.100 -0.600 0.000 1.661 1077 R CB 0.430 30.407 30.300 -0.540 0.000 1.189 1077 R HN 0.685 nan 8.270 nan 0.000 0.621 1078 K N 1.419 121.490 120.400 -0.549 0.000 2.063 1078 K HA -0.208 4.113 4.320 0.002 0.000 0.208 1078 K C 1.061 177.510 176.600 -0.251 0.000 1.048 1078 K CA 1.980 58.072 56.287 -0.326 0.000 0.928 1078 K CB 0.376 32.823 32.500 -0.087 0.000 0.713 1078 K HN 0.258 nan 8.250 nan 0.000 0.442 1079 E N -0.082 119.950 120.200 -0.281 0.000 2.058 1079 E HA -0.171 4.180 4.350 0.002 0.000 0.194 1079 E C 2.019 178.551 176.600 -0.114 0.000 0.997 1079 E CA 1.545 57.804 56.400 -0.235 0.000 0.801 1079 E CB -0.744 28.728 29.700 -0.380 0.000 0.746 1079 E HN 0.087 nan 8.360 nan 0.000 0.450 1080 V N 0.709 120.469 119.914 -0.257 0.000 2.332 1080 V HA -0.295 3.826 4.120 0.002 0.000 0.248 1080 V C 2.017 178.117 176.094 0.009 0.000 1.055 1080 V CA 1.963 64.161 62.300 -0.170 0.000 1.038 1080 V CB -0.742 30.910 31.823 -0.285 0.000 0.651 1080 V HN 0.233 nan 8.190 nan 0.000 0.450 1081 Y N 0.261 120.594 120.300 0.054 0.000 2.200 1081 Y HA -0.175 4.376 4.550 0.002 0.000 0.290 1081 Y C 2.595 178.733 175.900 0.396 0.000 1.137 1081 Y CA 1.223 59.421 58.100 0.163 0.000 1.163 1081 Y CB -1.188 37.358 38.460 0.143 0.000 0.988 1081 Y HN 0.280 nan 8.280 nan 0.000 0.518 1082 Q N 0.759 120.827 119.800 0.448 0.000 2.224 1082 Q HA -0.166 4.175 4.340 0.002 0.000 0.203 1082 Q C 1.861 178.053 176.000 0.319 0.000 0.970 1082 Q CA 1.597 57.640 55.803 0.400 0.000 0.865 1082 Q CB -0.287 28.680 28.738 0.382 0.000 0.922 1082 Q HN 0.576 nan 8.270 nan 0.000 0.445 1083 Q N -1.004 118.966 119.800 0.282 0.000 2.079 1083 Q HA -0.089 4.252 4.340 0.002 0.000 0.200 1083 Q C 2.036 178.156 176.000 0.199 0.000 0.974 1083 Q CA 1.661 57.590 55.803 0.209 0.000 0.840 1083 Q CB 0.092 28.927 28.738 0.162 0.000 0.898 1083 Q HN 0.284 nan 8.270 nan 0.000 0.430 1084 V N 0.171 120.243 119.914 0.263 0.000 2.427 1084 V HA -0.232 3.889 4.120 0.002 0.000 0.248 1084 V C 2.301 178.562 176.094 0.277 0.000 1.051 1084 V CA 1.825 64.281 62.300 0.261 0.000 1.048 1084 V CB -0.515 31.488 31.823 0.299 0.000 0.666 1084 V HN 0.342 nan 8.190 nan 0.000 0.456 1085 S N -0.210 115.737 115.700 0.412 0.000 2.356 1085 S HA -0.204 4.267 4.470 0.002 0.000 0.223 1085 S C 2.265 176.985 174.600 0.199 0.000 1.032 1085 S CA 2.041 60.427 58.200 0.310 0.000 1.005 1085 S CB -0.318 63.067 63.200 0.307 0.000 0.867 1085 S HN 0.595 nan 8.310 nan 0.000 0.449 1086 S N 1.405 117.205 115.700 0.167 0.000 2.365 1086 S HA -0.083 4.388 4.470 0.002 0.000 0.225 1086 S C 2.007 176.655 174.600 0.080 0.000 1.039 1086 S CA 1.243 59.504 58.200 0.102 0.000 1.033 1086 S CB -0.381 62.865 63.200 0.076 0.000 0.887 1086 S HN 0.525 nan 8.310 nan 0.000 0.447 1087 R N 0.384 120.931 120.500 0.078 0.000 2.081 1087 R HA 0.015 4.356 4.340 0.002 0.000 0.235 1087 R C 2.246 178.566 176.300 0.034 0.000 1.131 1087 R CA 1.292 57.421 56.100 0.049 0.000 0.960 1087 R CB -0.516 29.810 30.300 0.043 0.000 0.856 1087 R HN 0.429 nan 8.270 nan 0.000 0.436 1088 I N 0.528 121.108 120.570 0.016 0.000 2.202 1088 I HA -0.279 3.892 4.170 0.002 0.000 0.242 1088 I C 2.231 178.389 176.117 0.069 0.000 1.091 1088 I CA 1.032 62.318 61.300 -0.023 0.000 1.368 1088 I CB -0.262 37.589 38.000 -0.249 0.000 1.058 1088 I HN 0.099 nan 8.210 nan 0.000 0.410 1089 M N 0.510 120.181 119.600 0.118 0.000 2.267 1089 M HA -0.180 4.301 4.480 0.002 0.000 0.263 1089 M C 1.849 178.196 176.300 0.079 0.000 1.063 1089 M CA 1.561 56.927 55.300 0.109 0.000 1.090 1089 M CB -1.635 31.022 32.600 0.095 0.000 1.392 1089 M HN 0.304 nan 8.290 nan 0.000 0.422 1090 N N 0.662 119.399 118.700 0.062 0.000 2.171 1090 N HA -0.012 4.729 4.740 0.002 0.000 0.184 1090 N C 1.952 177.494 175.510 0.053 0.000 1.021 1090 N CA 0.998 54.076 53.050 0.047 0.000 0.854 1090 N CB -0.419 38.087 38.487 0.032 0.000 0.994 1090 N HN 0.361 nan 8.380 nan 0.000 0.426 1091 L N 0.745 122.008 121.223 0.065 0.000 2.042 1091 L HA -0.120 4.221 4.340 0.002 0.000 0.210 1091 L C 2.176 179.161 176.870 0.191 0.000 1.076 1091 L CA 0.886 55.786 54.840 0.099 0.000 0.749 1091 L CB -0.451 41.670 42.059 0.103 0.000 0.893 1091 L HN 0.120 nan 8.230 nan 0.000 0.432 1092 L N -0.937 120.392 121.223 0.175 0.000 2.141 1092 L HA -0.190 4.151 4.340 0.002 0.000 0.209 1092 L C 2.759 179.748 176.870 0.197 0.000 1.094 1092 L CA 1.041 56.009 54.840 0.214 0.000 0.763 1092 L CB -0.480 41.653 42.059 0.123 0.000 0.908 1092 L HN 0.191 nan 8.230 nan 0.000 0.437 1093 R N 0.230 120.800 120.500 0.117 0.000 2.120 1093 R HA -0.169 4.172 4.340 0.002 0.000 0.234 1093 R C 2.060 178.386 176.300 0.044 0.000 1.123 1093 R CA 1.253 57.398 56.100 0.076 0.000 0.975 1093 R CB -0.124 30.205 30.300 0.048 0.000 0.866 1093 R HN 0.441 nan 8.270 nan 0.000 0.446 1094 E N -1.010 119.189 120.200 -0.001 0.000 2.333 1094 E HA -0.204 4.147 4.350 0.002 0.000 0.198 1094 E C 1.046 177.497 176.600 -0.248 0.000 1.007 1094 E CA 1.054 57.367 56.400 -0.145 0.000 0.845 1094 E CB 0.094 29.648 29.700 -0.242 0.000 0.766 1094 E HN 0.465 nan 8.360 nan 0.000 0.507 1095 Y N -0.524 119.783 120.300 0.013 0.000 2.441 1095 Y HA 0.143 4.694 4.550 0.001 0.000 0.288 1095 Y C 1.072 176.985 175.900 0.021 0.000 1.118 1095 Y CA 0.235 58.344 58.100 0.014 0.000 1.215 1095 Y CB 0.926 39.393 38.460 0.013 0.000 1.118 1095 Y HN -0.205 nan 8.280 nan 0.000 0.547 1096 S N -0.773 115.028 115.700 0.169 0.000 2.572 1096 S HA 0.297 4.768 4.470 0.002 0.000 0.274 1096 S C -0.105 174.544 174.600 0.082 0.000 1.150 1096 S CA -0.612 57.655 58.200 0.111 0.000 0.944 1096 S CB 1.237 64.509 63.200 0.119 0.000 1.071 1096 S HN 0.184 nan 8.310 nan 0.000 0.479 1097 E N 2.493 122.728 120.200 0.059 0.000 2.107 1097 E HA 0.074 4.425 4.350 0.002 0.000 0.191 1097 E C -0.077 176.556 176.600 0.055 0.000 0.982 1097 E CA 0.858 57.286 56.400 0.047 0.000 0.809 1097 E CB 0.005 29.725 29.700 0.033 0.000 0.756 1097 E HN 0.442 nan 8.360 nan 0.000 0.459 1098 K N 1.078 121.515 120.400 0.061 0.000 2.237 1098 K HA 0.252 4.573 4.320 0.002 0.000 0.283 1098 K C -0.746 175.907 176.600 0.089 0.000 1.080 1098 K CA 0.195 56.521 56.287 0.066 0.000 0.965 1098 K CB 0.044 32.581 32.500 0.062 0.000 1.098 1098 K HN 0.077 nan 8.250 nan 0.000 0.434 1099 I N 1.123 121.746 120.570 0.089 0.000 2.545 1099 I HA 0.235 4.406 4.170 0.002 0.000 0.292 1099 I C -1.099 175.089 176.117 0.118 0.000 1.040 1099 I CA -0.613 60.755 61.300 0.112 0.000 1.068 1099 I CB 1.567 39.626 38.000 0.099 0.000 1.251 1099 I HN 0.478 nan 8.210 nan 0.000 0.424 1100 E N 8.067 128.370 120.200 0.172 0.000 2.141 1100 E HA 0.376 4.727 4.350 0.002 0.000 0.259 1100 E C -1.289 175.446 176.600 0.225 0.000 0.883 1100 E CA -0.709 55.798 56.400 0.177 0.000 0.744 1100 E CB 1.179 30.973 29.700 0.158 0.000 1.150 1100 E HN 0.541 nan 8.360 nan 0.000 0.420 1101 I N 4.512 125.165 120.570 0.139 0.000 2.347 1101 I HA 0.115 4.286 4.170 0.002 0.000 0.294 1101 I C 1.126 177.312 176.117 0.115 0.000 1.090 1101 I CA 0.049 61.407 61.300 0.097 0.000 1.314 1101 I CB 1.291 39.323 38.000 0.053 0.000 1.423 1101 I HN 0.629 nan 8.210 nan 0.000 0.503 1102 A N 4.641 127.554 122.820 0.155 0.000 1.975 1102 A HA 0.111 4.432 4.320 0.002 0.000 0.215 1102 A C 1.105 178.735 177.584 0.077 0.000 1.170 1102 A CA 1.251 53.385 52.037 0.162 0.000 0.656 1102 A CB -0.052 19.126 19.000 0.297 0.000 0.821 1102 A HN 0.710 nan 8.150 nan 0.000 0.449 1103 S N -2.901 112.805 115.700 0.011 0.000 2.724 1103 S HA 0.401 4.872 4.470 0.002 0.000 0.278 1103 S C 0.649 175.201 174.600 -0.080 0.000 1.190 1103 S CA 0.104 58.297 58.200 -0.012 0.000 0.860 1103 S CB -0.126 63.065 63.200 -0.015 0.000 1.206 1103 S HN 0.292 nan 8.310 nan 0.000 0.507 1104 I N 1.292 121.839 120.570 -0.039 0.000 2.423 1104 I HA -0.145 4.026 4.170 0.002 0.000 0.254 1104 I C 1.234 177.128 176.117 -0.370 0.000 1.151 1104 I CA 2.408 63.684 61.300 -0.040 0.000 1.421 1104 I CB -0.174 37.938 38.000 0.187 0.000 1.079 1104 I HN 0.825 nan 8.210 nan 0.000 0.431 1105 D N -0.970 119.082 120.400 -0.580 0.000 2.433 1105 D HA 0.078 4.719 4.640 0.002 0.000 0.211 1105 D C 0.120 175.558 176.300 -1.437 0.000 1.114 1105 D CA -0.056 53.192 54.000 -1.255 0.000 0.837 1105 D CB 0.115 40.462 40.800 -0.755 0.000 0.984 1105 D HN 0.337 nan 8.370 nan 0.000 0.505 1106 E N -0.003 119.727 120.200 -0.784 0.000 2.248 1106 E HA 0.735 5.086 4.350 0.002 0.000 0.267 1106 E C -1.259 175.122 176.600 -0.366 0.000 0.877 1106 E CA -1.023 55.037 56.400 -0.567 0.000 0.759 1106 E CB 2.496 32.122 29.700 -0.122 0.000 1.182 1106 E HN 0.215 nan 8.360 nan 0.000 0.418 1107 A N 2.389 124.952 122.820 -0.429 0.000 2.574 1107 A HA 0.630 4.951 4.320 0.002 0.000 0.297 1107 A C -1.953 175.551 177.584 -0.133 0.000 1.062 1107 A CA -0.634 51.313 52.037 -0.150 0.000 0.686 1107 A CB 0.811 19.750 19.000 -0.101 0.000 1.285 1107 A HN 0.569 nan 8.150 nan 0.000 0.403 1108 Y N 0.668 121.075 120.300 0.178 0.000 2.377 1108 Y HA 0.628 5.179 4.550 0.001 0.000 0.339 1108 Y C -0.443 175.534 175.900 0.128 0.000 1.011 1108 Y CA -0.708 57.523 58.100 0.218 0.000 1.093 1108 Y CB 1.853 40.437 38.460 0.206 0.000 1.201 1108 Y HN 0.466 nan 8.280 nan 0.000 0.455 1109 L N 3.599 124.977 121.223 0.258 0.000 2.325 1109 L HA 0.299 4.640 4.340 0.002 0.000 0.281 1109 L C -0.474 176.500 176.870 0.174 0.000 1.004 1109 L CA -0.612 54.334 54.840 0.177 0.000 0.823 1109 L CB 1.271 43.403 42.059 0.121 0.000 1.236 1109 L HN 0.562 nan 8.230 nan 0.000 0.415 1110 D N 4.123 124.609 120.400 0.142 0.000 2.336 1110 D HA 0.209 4.850 4.640 0.002 0.000 0.249 1110 D C 0.507 176.862 176.300 0.091 0.000 1.213 1110 D CA -0.054 54.014 54.000 0.113 0.000 0.870 1110 D CB 0.875 41.727 40.800 0.087 0.000 1.076 1110 D HN 0.558 nan 8.370 nan 0.000 0.483 1111 I N 0.673 121.294 120.570 0.084 0.000 3.856 1111 I HA 0.175 4.346 4.170 0.002 0.000 0.330 1111 I C 1.055 177.194 176.117 0.038 0.000 1.546 1111 I CA -0.581 60.759 61.300 0.066 0.000 1.132 1111 I CB 0.449 38.492 38.000 0.072 0.000 1.157 1111 I HN -0.028 nan 8.210 nan 0.000 0.440 1112 S N 2.336 118.056 115.700 0.033 0.000 2.383 1112 S HA -0.199 4.272 4.470 0.002 0.000 0.229 1112 S C 1.299 175.900 174.600 0.002 0.000 1.030 1112 S CA 2.297 60.503 58.200 0.009 0.000 1.002 1112 S CB -0.405 62.805 63.200 0.017 0.000 0.829 1112 S HN 0.838 nan 8.310 nan 0.000 0.467 1113 D N -0.060 120.349 120.400 0.014 0.000 2.340 1113 D HA 0.113 4.754 4.640 0.002 0.000 0.217 1113 D C 1.315 177.625 176.300 0.017 0.000 1.081 1113 D CA 0.125 54.132 54.000 0.012 0.000 0.842 1113 D CB 0.084 40.892 40.800 0.014 0.000 0.934 1113 D HN 0.114 nan 8.370 nan 0.000 0.511 1114 K N 0.165 120.579 120.400 0.024 0.000 2.335 1114 K HA 0.154 4.475 4.320 0.002 0.000 0.195 1114 K C 0.579 177.195 176.600 0.028 0.000 1.058 1114 K CA 0.425 56.733 56.287 0.034 0.000 0.988 1114 K CB 1.338 33.873 32.500 0.057 0.000 0.880 1114 K HN 0.272 nan 8.250 nan 0.000 0.513 1115 V N -2.072 117.849 119.914 0.011 0.000 3.001 1115 V HA 0.443 4.565 4.120 0.002 0.000 0.314 1115 V C 0.740 176.818 176.094 -0.027 0.000 1.099 1115 V CA -0.992 61.308 62.300 -0.000 0.000 0.989 1115 V CB 2.308 34.131 31.823 0.001 0.000 1.040 1115 V HN -0.101 nan 8.190 nan 0.000 0.434 1116 R N 0.631 121.116 120.500 -0.025 0.000 2.112 1116 R HA 0.233 4.574 4.340 0.002 0.000 0.216 1116 R C -0.079 176.174 176.300 -0.078 0.000 1.080 1116 R CA 1.504 57.581 56.100 -0.039 0.000 0.996 1116 R CB 0.173 30.463 30.300 -0.017 0.000 0.902 1116 R HN 1.044 nan 8.270 nan 0.000 0.449 1117 D N -3.673 116.677 120.400 -0.083 0.000 2.664 1117 D HA 0.018 4.659 4.640 0.002 0.000 0.292 1117 D C 0.042 176.268 176.300 -0.122 0.000 1.214 1117 D CA -0.727 53.190 54.000 -0.138 0.000 0.932 1117 D CB -0.226 40.551 40.800 -0.038 0.000 1.420 1117 D HN -0.243 nan 8.370 nan 0.000 0.471 1118 Y N -0.085 120.241 120.300 0.042 0.000 2.224 1118 Y HA -0.028 4.522 4.550 0.001 0.000 0.289 1118 Y C 2.671 178.619 175.900 0.081 0.000 1.146 1118 Y CA 1.635 59.769 58.100 0.058 0.000 1.182 1118 Y CB -0.304 38.178 38.460 0.036 0.000 0.983 1118 Y HN 0.405 nan 8.280 nan 0.000 0.524 1119 R N 0.719 121.332 120.500 0.188 0.000 2.096 1119 R HA -0.266 4.075 4.340 0.002 0.000 0.240 1119 R C 2.179 178.584 176.300 0.174 0.000 1.139 1119 R CA 2.172 58.357 56.100 0.142 0.000 0.952 1119 R CB -0.335 30.012 30.300 0.078 0.000 0.854 1119 R HN 0.473 nan 8.270 nan 0.000 0.436 1120 E N -0.556 119.712 120.200 0.114 0.000 2.106 1120 E HA -0.143 4.208 4.350 0.002 0.000 0.192 1120 E C 1.778 178.439 176.600 0.102 0.000 0.984 1120 E CA 0.974 57.429 56.400 0.091 0.000 0.806 1120 E CB -0.063 29.666 29.700 0.048 0.000 0.750 1120 E HN 0.500 nan 8.360 nan 0.000 0.458 1121 A N 0.369 123.258 122.820 0.116 0.000 1.902 1121 A HA -0.213 4.108 4.320 0.002 0.000 0.217 1121 A C 2.029 179.707 177.584 0.156 0.000 1.181 1121 A CA 1.490 53.603 52.037 0.127 0.000 0.623 1121 A CB -0.954 18.143 19.000 0.162 0.000 0.818 1121 A HN 0.573 nan 8.150 nan 0.000 0.443 1122 Y N 1.585 121.935 120.300 0.084 0.000 2.097 1122 Y HA -0.266 4.285 4.550 0.002 0.000 0.282 1122 Y C 2.221 178.137 175.900 0.027 0.000 1.152 1122 Y CA 2.303 60.438 58.100 0.058 0.000 1.136 1122 Y CB -0.296 38.201 38.460 0.062 0.000 0.975 1122 Y HN 0.334 nan 8.280 nan 0.000 0.498 1123 N N 0.341 119.084 118.700 0.072 0.000 2.166 1123 N HA -0.174 4.567 4.740 0.002 0.000 0.186 1123 N C 1.858 177.322 175.510 -0.077 0.000 1.019 1123 N CA 1.376 54.408 53.050 -0.029 0.000 0.856 1123 N CB -0.613 37.921 38.487 0.079 0.000 0.993 1123 N HN 0.409 nan 8.380 nan 0.000 0.426 1124 L N 1.066 122.265 121.223 -0.039 0.000 2.046 1124 L HA -0.003 4.338 4.340 0.002 0.000 0.208 1124 L C 2.170 178.934 176.870 -0.177 0.000 1.077 1124 L CA 1.612 56.408 54.840 -0.074 0.000 0.747 1124 L CB -1.006 41.039 42.059 -0.024 0.000 0.896 1124 L HN 0.135 nan 8.230 nan 0.000 0.432 1125 G N -0.527 108.176 108.800 -0.162 0.000 2.446 1125 G HA2 -0.269 3.692 3.960 0.002 0.000 0.217 1125 G HA3 -0.269 3.692 3.960 0.002 0.000 0.217 1125 G C 1.609 176.367 174.900 -0.236 0.000 1.168 1125 G CA 1.194 46.178 45.100 -0.193 0.000 0.771 1125 G HN 0.410 nan 8.290 nan 0.000 0.551 1126 L N -0.053 121.000 121.223 -0.284 0.000 2.017 1126 L HA -0.083 4.259 4.340 0.002 0.000 0.208 1126 L C 2.938 179.709 176.870 -0.165 0.000 1.073 1126 L CA 1.441 56.135 54.840 -0.244 0.000 0.745 1126 L CB -0.464 41.424 42.059 -0.285 0.000 0.894 1126 L HN 0.300 nan 8.230 nan 0.000 0.432 1127 E N 0.227 120.339 120.200 -0.147 0.000 2.058 1127 E HA -0.247 4.104 4.350 0.002 0.000 0.194 1127 E C 2.257 178.758 176.600 -0.165 0.000 0.997 1127 E CA 1.392 57.733 56.400 -0.097 0.000 0.801 1127 E CB -0.133 29.548 29.700 -0.030 0.000 0.746 1127 E HN 0.437 nan 8.360 nan 0.000 0.450 1128 I N 1.017 121.379 120.570 -0.347 0.000 2.179 1128 I HA -0.315 3.856 4.170 0.002 0.000 0.242 1128 I C 2.313 178.299 176.117 -0.218 0.000 1.088 1128 I CA 1.308 62.339 61.300 -0.448 0.000 1.357 1128 I CB -0.141 37.529 38.000 -0.550 0.000 1.051 1128 I HN 0.027 nan 8.210 nan 0.000 0.409 1129 K N 0.533 120.825 120.400 -0.180 0.000 2.032 1129 K HA -0.188 4.133 4.320 0.002 0.000 0.209 1129 K C 1.913 178.457 176.600 -0.093 0.000 1.048 1129 K CA 1.638 57.849 56.287 -0.127 0.000 0.927 1129 K CB -0.225 32.202 32.500 -0.122 0.000 0.712 1129 K HN 0.343 nan 8.250 nan 0.000 0.441 1130 N N 0.756 119.406 118.700 -0.082 0.000 2.188 1130 N HA -0.142 4.599 4.740 0.002 0.000 0.184 1130 N C 1.696 177.191 175.510 -0.025 0.000 1.018 1130 N CA 1.046 54.068 53.050 -0.047 0.000 0.858 1130 N CB -0.017 38.447 38.487 -0.037 0.000 0.989 1130 N HN 0.068 nan 8.380 nan 0.000 0.426 1131 K N 1.401 121.796 120.400 -0.009 0.000 2.057 1131 K HA 0.082 4.403 4.320 0.002 0.000 0.207 1131 K C 2.010 178.612 176.600 0.004 0.000 1.049 1131 K CA 0.630 56.936 56.287 0.033 0.000 0.931 1131 K CB -0.194 32.386 32.500 0.132 0.000 0.714 1131 K HN 0.097 nan 8.250 nan 0.000 0.440 1132 I N 0.237 120.788 120.570 -0.032 0.000 2.226 1132 I HA -0.267 3.904 4.170 0.002 0.000 0.245 1132 I C 2.054 178.128 176.117 -0.071 0.000 1.100 1132 I CA 0.698 61.956 61.300 -0.071 0.000 1.374 1132 I CB -0.230 37.693 38.000 -0.128 0.000 1.057 1132 I HN 0.162 nan 8.210 nan 0.000 0.413 1133 L N 0.790 121.978 121.223 -0.059 0.000 2.056 1133 L HA -0.192 4.149 4.340 0.002 0.000 0.207 1133 L C 2.342 179.195 176.870 -0.029 0.000 1.078 1133 L CA 1.869 56.681 54.840 -0.046 0.000 0.749 1133 L CB -0.548 41.488 42.059 -0.038 0.000 0.901 1133 L HN 0.164 nan 8.230 nan 0.000 0.433 1134 E N -0.807 119.382 120.200 -0.019 0.000 2.072 1134 E HA -0.211 4.140 4.350 0.002 0.000 0.191 1134 E C 1.879 178.474 176.600 -0.008 0.000 0.985 1134 E CA 1.292 57.687 56.400 -0.009 0.000 0.801 1134 E CB 0.086 29.786 29.700 -0.000 0.000 0.750 1134 E HN 0.434 nan 8.360 nan 0.000 0.452 1135 K N -0.611 119.782 120.400 -0.010 0.000 2.361 1135 K HA 0.046 4.367 4.320 0.002 0.000 0.194 1135 K C 0.835 177.426 176.600 -0.015 0.000 1.032 1135 K CA 0.415 56.697 56.287 -0.008 0.000 1.048 1135 K CB 0.693 33.193 32.500 0.001 0.000 0.842 1135 K HN -0.061 nan 8.250 nan 0.000 0.526 1136 E N -0.233 119.949 120.200 -0.030 0.000 2.702 1136 E HA 0.066 4.417 4.350 0.002 0.000 0.225 1136 E C -0.390 176.188 176.600 -0.037 0.000 0.942 1136 E CA 0.092 56.471 56.400 -0.035 0.000 1.210 1136 E CB 1.042 30.704 29.700 -0.064 0.000 1.143 1136 E HN -0.038 nan 8.360 nan 0.000 0.544 1137 K N 0.559 120.937 120.400 -0.036 0.000 3.130 1137 K HA -0.179 4.143 4.320 0.002 0.000 0.282 1137 K C 0.116 176.688 176.600 -0.046 0.000 1.145 1137 K CA 0.594 56.863 56.287 -0.030 0.000 0.831 1137 K CB -1.689 30.801 32.500 -0.016 0.000 1.226 1137 K HN 0.191 nan 8.250 nan 0.000 0.478 1138 I N 1.188 121.713 120.570 -0.075 0.000 2.377 1138 I HA 0.144 4.315 4.170 0.002 0.000 0.293 1138 I C 0.807 176.861 176.117 -0.106 0.000 0.987 1138 I CA -0.284 60.954 61.300 -0.105 0.000 1.185 1138 I CB 1.742 39.655 38.000 -0.144 0.000 1.341 1138 I HN -0.142 nan 8.210 nan 0.000 0.455 1139 T N 6.475 120.976 114.554 -0.089 0.000 2.817 1139 T HA 0.494 4.845 4.350 0.002 0.000 0.293 1139 T C -0.103 174.570 174.700 -0.046 0.000 0.964 1139 T CA -0.265 61.802 62.100 -0.056 0.000 1.085 1139 T CB 0.811 69.674 68.868 -0.008 0.000 0.921 1139 T HN 0.485 nan 8.240 nan 0.000 0.502 1140 V N 1.819 121.712 119.914 -0.036 0.000 3.040 1140 V HA 0.837 4.958 4.120 0.002 0.000 0.312 1140 V C -0.312 175.769 176.094 -0.022 0.000 1.115 1140 V CA -0.805 61.495 62.300 0.000 0.000 0.998 1140 V CB 2.237 34.066 31.823 0.009 0.000 1.042 1140 V HN 0.729 nan 8.190 nan 0.000 0.433 1141 T N 2.360 116.897 114.554 -0.028 0.000 2.824 1141 T HA 0.695 5.046 4.350 0.002 0.000 0.280 1141 T C -0.571 174.075 174.700 -0.091 0.000 0.995 1141 T CA -0.336 61.741 62.100 -0.038 0.000 1.009 1141 T CB 1.494 70.364 68.868 0.003 0.000 0.955 1141 T HN 0.746 nan 8.240 nan 0.000 0.452 1142 V N 2.496 122.375 119.914 -0.058 0.000 2.448 1142 V HA 0.773 4.894 4.120 0.002 0.000 0.295 1142 V C 0.488 176.607 176.094 0.041 0.000 1.025 1142 V CA -0.626 61.640 62.300 -0.057 0.000 0.859 1142 V CB 1.865 33.642 31.823 -0.077 0.000 0.988 1142 V HN 1.038 nan 8.190 nan 0.000 0.431 1143 G N 4.829 113.703 108.800 0.123 0.000 2.461 1143 G HA2 0.785 4.747 3.960 0.002 0.000 0.323 1143 G HA3 0.785 4.747 3.960 0.002 0.000 0.323 1143 G C -1.142 173.882 174.900 0.207 0.000 1.229 1143 G CA -0.481 44.736 45.100 0.194 0.000 0.941 1143 G HN 0.591 nan 8.290 nan 0.000 0.477 1144 I N 1.299 121.980 120.570 0.185 0.000 2.466 1144 I HA 0.611 4.782 4.170 0.002 0.000 0.289 1144 I C -0.036 176.208 176.117 0.211 0.000 1.026 1144 I CA -0.469 60.964 61.300 0.222 0.000 1.078 1144 I CB 2.232 40.378 38.000 0.243 0.000 1.249 1144 I HN 0.548 nan 8.210 nan 0.000 0.429 1145 S N 3.086 118.957 115.700 0.286 0.000 2.703 1145 S HA 0.284 4.755 4.470 0.002 0.000 0.273 1145 S C 0.354 175.162 174.600 0.347 0.000 1.178 1145 S CA -0.719 57.637 58.200 0.261 0.000 0.838 1145 S CB 1.448 64.787 63.200 0.231 0.000 1.178 1145 S HN 0.748 nan 8.310 nan 0.000 0.494 1146 K N 0.434 121.013 120.400 0.300 0.000 2.217 1146 K HA 0.032 4.353 4.320 0.002 0.000 0.202 1146 K C 0.383 177.137 176.600 0.258 0.000 1.051 1146 K CA 1.263 57.715 56.287 0.275 0.000 0.952 1146 K CB -0.511 32.115 32.500 0.210 0.000 0.736 1146 K HN 0.501 nan 8.250 nan 0.000 0.453 1147 N N -0.722 118.167 118.700 0.315 0.000 2.774 1147 N HA 0.169 4.910 4.740 0.002 0.000 0.264 1147 N C -0.285 175.387 175.510 0.271 0.000 1.415 1147 N CA -1.088 52.147 53.050 0.308 0.000 0.815 1147 N CB 1.158 39.900 38.487 0.424 0.000 1.514 1147 N HN -0.255 nan 8.380 nan 0.000 0.523 1148 K N -0.548 119.976 120.400 0.207 0.000 2.044 1148 K HA -0.106 4.215 4.320 0.002 0.000 0.210 1148 K C 1.393 178.018 176.600 0.041 0.000 1.049 1148 K CA 1.807 58.146 56.287 0.086 0.000 0.927 1148 K CB -0.462 31.870 32.500 -0.280 0.000 0.713 1148 K HN 0.337 nan 8.250 nan 0.000 0.443 1149 V N 0.629 120.462 119.914 -0.135 0.000 2.307 1149 V HA -0.206 3.915 4.120 0.002 0.000 0.245 1149 V C 1.968 177.836 176.094 -0.377 0.000 1.045 1149 V CA 1.680 63.749 62.300 -0.386 0.000 1.024 1149 V CB -0.507 30.840 31.823 -0.794 0.000 0.651 1149 V HN 0.151 nan 8.190 nan 0.000 0.449 1150 F N 0.725 120.638 119.950 -0.061 0.000 2.259 1150 F HA 0.028 4.557 4.527 0.002 0.000 0.298 1150 F C 2.387 178.194 175.800 0.011 0.000 1.088 1150 F CA 0.974 58.955 58.000 -0.031 0.000 1.358 1150 F CB -0.991 37.999 39.000 -0.017 0.000 1.040 1150 F HN 0.075 nan 8.300 nan 0.000 0.505 1151 A N 0.092 123.036 122.820 0.207 0.000 1.902 1151 A HA -0.244 4.077 4.320 0.002 0.000 0.217 1151 A C 2.204 179.833 177.584 0.076 0.000 1.181 1151 A CA 1.957 54.113 52.037 0.199 0.000 0.623 1151 A CB -0.695 18.481 19.000 0.293 0.000 0.818 1151 A HN 0.309 nan 8.150 nan 0.000 0.443 1152 K N 0.015 120.304 120.400 -0.186 0.000 2.026 1152 K HA -0.081 4.240 4.320 0.002 0.000 0.208 1152 K C 1.658 178.187 176.600 -0.118 0.000 1.048 1152 K CA 1.776 57.782 56.287 -0.470 0.000 0.929 1152 K CB -0.456 31.746 32.500 -0.496 0.000 0.713 1152 K HN 0.470 nan 8.250 nan 0.000 0.439 1153 I N 0.807 121.341 120.570 -0.060 0.000 2.208 1153 I HA -0.284 3.887 4.170 0.002 0.000 0.245 1153 I C 2.395 178.553 176.117 0.068 0.000 1.097 1153 I CA 1.225 62.529 61.300 0.008 0.000 1.363 1153 I CB -0.435 37.583 38.000 0.029 0.000 1.051 1153 I HN 0.311 nan 8.210 nan 0.000 0.413 1154 A N 0.764 123.646 122.820 0.103 0.000 1.883 1154 A HA -0.214 4.107 4.320 0.002 0.000 0.217 1154 A C 2.544 180.200 177.584 0.119 0.000 1.186 1154 A CA 2.106 54.210 52.037 0.111 0.000 0.624 1154 A CB -0.923 18.153 19.000 0.128 0.000 0.822 1154 A HN 0.441 nan 8.150 nan 0.000 0.444 1155 A N -0.200 122.725 122.820 0.175 0.000 1.898 1155 A HA -0.146 4.175 4.320 0.002 0.000 0.216 1155 A C 1.742 179.410 177.584 0.139 0.000 1.181 1155 A CA 1.792 53.942 52.037 0.189 0.000 0.620 1155 A CB -0.619 18.593 19.000 0.353 0.000 0.819 1155 A HN 0.445 nan 8.150 nan 0.000 0.442 1156 D N -0.324 120.152 120.400 0.126 0.000 2.158 1156 D HA -0.167 4.474 4.640 0.002 0.000 0.197 1156 D C 1.795 178.138 176.300 0.073 0.000 0.995 1156 D CA 1.422 55.476 54.000 0.090 0.000 0.846 1156 D CB -0.309 40.525 40.800 0.057 0.000 0.941 1156 D HN 0.497 nan 8.370 nan 0.000 0.456 1157 M N -0.565 119.074 119.600 0.065 0.000 2.558 1157 M HA 0.074 4.555 4.480 0.002 0.000 0.255 1157 M C 1.586 177.912 176.300 0.044 0.000 1.113 1157 M CA 0.492 55.822 55.300 0.050 0.000 1.097 1157 M CB 0.477 33.105 32.600 0.045 0.000 1.426 1157 M HN -0.042 nan 8.290 nan 0.000 0.488 1158 A N -0.499 122.353 122.820 0.052 0.000 2.382 1158 A HA 0.183 4.504 4.320 0.002 0.000 0.228 1158 A C 0.532 178.127 177.584 0.019 0.000 1.217 1158 A CA -0.258 51.800 52.037 0.035 0.000 0.923 1158 A CB 0.158 19.185 19.000 0.044 0.000 0.979 1158 A HN 0.197 nan 8.150 nan 0.000 0.515 1159 K N 1.705 122.129 120.400 0.041 0.000 2.527 1159 K HA 0.144 4.465 4.320 0.002 0.000 0.278 1159 K C -2.188 174.369 176.600 -0.071 0.000 0.981 1159 K CA -0.582 55.727 56.287 0.037 0.000 1.009 1159 K CB 0.322 32.903 32.500 0.134 0.000 0.895 1159 K HN 0.329 nan 8.250 nan 0.000 0.493 1160 P HA 0.038 nan 4.420 nan 0.000 0.301 1160 P C -0.701 176.542 177.300 -0.096 0.000 1.309 1160 P CA -0.569 62.429 63.100 -0.169 0.000 0.782 1160 P CB 0.406 31.826 31.700 -0.467 0.000 1.282 1161 N N -1.697 116.983 118.700 -0.033 0.000 2.708 1161 N HA -0.152 4.589 4.740 0.002 0.000 0.251 1161 N C 0.109 175.599 175.510 -0.032 0.000 1.017 1161 N CA 0.164 53.197 53.050 -0.028 0.000 0.742 1161 N CB -1.050 37.420 38.487 -0.028 0.000 0.943 1161 N HN 0.678 nan 8.380 nan 0.000 0.539 1162 G N 0.344 109.130 108.800 -0.023 0.000 2.509 1162 G HA2 0.713 4.674 3.960 0.002 0.000 0.328 1162 G HA3 0.713 4.674 3.960 0.002 0.000 0.328 1162 G C -0.665 174.229 174.900 -0.010 0.000 1.194 1162 G CA -0.577 44.517 45.100 -0.009 0.000 0.967 1162 G HN 0.332 nan 8.290 nan 0.000 0.488 1163 I N -0.664 119.915 120.570 0.015 0.000 2.644 1163 I HA 0.692 4.863 4.170 0.002 0.000 0.291 1163 I C -1.154 175.024 176.117 0.102 0.000 1.180 1163 I CA -0.846 60.471 61.300 0.028 0.000 1.040 1163 I CB 2.071 40.041 38.000 -0.050 0.000 1.255 1163 I HN 0.527 nan 8.210 nan 0.000 0.422 1164 K N 6.294 126.762 120.400 0.112 0.000 2.550 1164 K HA 0.643 4.964 4.320 0.002 0.000 0.252 1164 K C -2.197 174.469 176.600 0.110 0.000 0.943 1164 K CA -0.638 55.718 56.287 0.114 0.000 0.806 1164 K CB 2.234 34.780 32.500 0.076 0.000 1.289 1164 K HN 0.413 nan 8.250 nan 0.000 0.435 1165 V N 5.618 125.578 119.914 0.077 0.000 2.398 1165 V HA 0.454 4.575 4.120 0.002 0.000 0.286 1165 V C -0.199 175.837 176.094 -0.097 0.000 1.026 1165 V CA -0.666 61.635 62.300 0.001 0.000 0.868 1165 V CB 1.373 33.182 31.823 -0.022 0.000 0.982 1165 V HN 0.660 nan 8.190 nan 0.000 0.443 1166 I N 5.105 125.596 120.570 -0.131 0.000 2.371 1166 I HA 0.293 4.464 4.170 0.002 0.000 0.282 1166 I C -0.028 175.868 176.117 -0.367 0.000 1.031 1166 I CA -0.606 60.586 61.300 -0.179 0.000 1.180 1166 I CB 1.199 39.155 38.000 -0.073 0.000 1.336 1166 I HN 0.747 nan 8.210 nan 0.000 0.467 1167 D N 3.038 123.149 120.400 -0.483 0.000 2.398 1167 D HA 0.059 4.700 4.640 0.002 0.000 0.247 1167 D C 0.608 176.721 176.300 -0.312 0.000 1.227 1167 D CA -0.352 53.251 54.000 -0.661 0.000 0.980 1167 D CB 0.818 41.267 40.800 -0.584 0.000 1.106 1167 D HN 0.302 nan 8.370 nan 0.000 0.493 1168 D N -0.615 119.695 120.400 -0.149 0.000 2.190 1168 D HA -0.158 4.483 4.640 0.002 0.000 0.200 1168 D C 1.579 177.805 176.300 -0.123 0.000 0.992 1168 D CA 1.127 55.075 54.000 -0.086 0.000 0.854 1168 D CB 0.007 40.822 40.800 0.025 0.000 0.936 1168 D HN 0.422 nan 8.370 nan 0.000 0.462 1169 E N 0.531 120.666 120.200 -0.107 0.000 2.072 1169 E HA -0.126 4.225 4.350 0.002 0.000 0.191 1169 E C 1.935 178.457 176.600 -0.129 0.000 0.985 1169 E CA 0.607 56.948 56.400 -0.099 0.000 0.801 1169 E CB -0.121 29.535 29.700 -0.072 0.000 0.750 1169 E HN 0.324 nan 8.360 nan 0.000 0.452 1170 E N 0.761 120.866 120.200 -0.159 0.000 2.268 1170 E HA -0.089 4.262 4.350 0.002 0.000 0.195 1170 E C 2.184 178.655 176.600 -0.216 0.000 0.995 1170 E CA 0.205 56.509 56.400 -0.159 0.000 0.836 1170 E CB 0.032 29.639 29.700 -0.155 0.000 0.763 1170 E HN 0.054 nan 8.360 nan 0.000 0.491 1171 V N 1.824 121.546 119.914 -0.319 0.000 2.295 1171 V HA -0.262 3.859 4.120 0.002 0.000 0.246 1171 V C 2.332 178.226 176.094 -0.333 0.000 1.049 1171 V CA 1.628 63.601 62.300 -0.544 0.000 1.024 1171 V CB -0.358 31.037 31.823 -0.713 0.000 0.648 1171 V HN 0.208 nan 8.190 nan 0.000 0.447 1172 K N -0.022 120.254 120.400 -0.206 0.000 2.044 1172 K HA -0.218 4.104 4.320 0.002 0.000 0.210 1172 K C 2.283 178.831 176.600 -0.086 0.000 1.049 1172 K CA 1.300 57.517 56.287 -0.117 0.000 0.927 1172 K CB -0.516 31.934 32.500 -0.083 0.000 0.713 1172 K HN 0.238 nan 8.250 nan 0.000 0.443 1173 R N 1.419 121.865 120.500 -0.090 0.000 2.081 1173 R HA -0.014 4.327 4.340 0.002 0.000 0.235 1173 R C 2.414 178.688 176.300 -0.043 0.000 1.131 1173 R CA 0.975 57.040 56.100 -0.060 0.000 0.960 1173 R CB -0.531 29.733 30.300 -0.060 0.000 0.856 1173 R HN 0.220 nan 8.270 nan 0.000 0.436 1174 L N 0.264 121.453 121.223 -0.056 0.000 2.027 1174 L HA -0.156 4.185 4.340 0.002 0.000 0.206 1174 L C 2.482 179.375 176.870 0.038 0.000 1.074 1174 L CA 1.065 55.905 54.840 0.000 0.000 0.745 1174 L CB -0.343 41.733 42.059 0.028 0.000 0.898 1174 L HN 0.153 nan 8.230 nan 0.000 0.433 1175 I N -0.342 120.248 120.570 0.033 0.000 2.236 1175 I HA -0.389 3.782 4.170 0.002 0.000 0.249 1175 I C 2.603 178.734 176.117 0.024 0.000 1.102 1175 I CA 1.533 62.867 61.300 0.055 0.000 1.365 1175 I CB -0.270 37.753 38.000 0.039 0.000 1.051 1175 I HN 0.272 nan 8.210 nan 0.000 0.420 1176 R N -0.240 120.264 120.500 0.006 0.000 2.100 1176 R HA -0.089 4.252 4.340 0.002 0.000 0.220 1176 R C 2.032 178.334 176.300 0.003 0.000 1.091 1176 R CA 0.884 56.985 56.100 0.001 0.000 0.986 1176 R CB -0.154 30.141 30.300 -0.007 0.000 0.888 1176 R HN 0.150 nan 8.270 nan 0.000 0.444 1177 E N 0.601 120.803 120.200 0.004 0.000 2.415 1177 E HA 0.059 4.410 4.350 0.002 0.000 0.197 1177 E C -0.362 176.244 176.600 0.010 0.000 1.007 1177 E CA -0.020 56.382 56.400 0.004 0.000 0.890 1177 E CB 0.378 30.078 29.700 -0.001 0.000 0.891 1177 E HN 0.001 nan 8.360 nan 0.000 0.496 1178 L N 2.781 124.016 121.223 0.020 0.000 2.278 1178 L HA 0.221 4.562 4.340 0.002 0.000 0.287 1178 L C -0.691 176.185 176.870 0.010 0.000 1.072 1178 L CA -0.543 54.311 54.840 0.023 0.000 0.819 1178 L CB 0.447 42.535 42.059 0.047 0.000 1.176 1178 L HN -0.005 nan 8.230 nan 0.000 0.435 1179 D N 3.632 124.035 120.400 0.005 0.000 2.399 1179 D HA -0.084 4.557 4.640 0.002 0.000 0.241 1179 D C 1.329 177.626 176.300 -0.006 0.000 1.133 1179 D CA -0.196 53.803 54.000 -0.000 0.000 0.890 1179 D CB 1.205 42.006 40.800 0.001 0.000 1.201 1179 D HN 0.532 nan 8.370 nan 0.000 0.432 1180 I N 1.675 122.240 120.570 -0.009 0.000 2.399 1180 I HA -0.298 3.873 4.170 0.002 0.000 0.254 1180 I C 2.486 178.597 176.117 -0.011 0.000 1.146 1180 I CA 1.485 62.777 61.300 -0.014 0.000 1.412 1180 I CB -0.193 37.801 38.000 -0.010 0.000 1.076 1180 I HN 0.633 nan 8.210 nan 0.000 0.432 1181 A N -0.442 122.374 122.820 -0.006 0.000 1.978 1181 A HA -0.226 4.095 4.320 0.002 0.000 0.220 1181 A C 1.829 179.410 177.584 -0.006 0.000 1.170 1181 A CA 2.048 54.083 52.037 -0.003 0.000 0.636 1181 A CB -0.544 18.455 19.000 -0.001 0.000 0.810 1181 A HN 0.432 nan 8.150 nan 0.000 0.448 1182 D N -0.515 119.879 120.400 -0.009 0.000 2.340 1182 D HA 0.146 4.787 4.640 0.002 0.000 0.220 1182 D C 0.014 176.294 176.300 -0.034 0.000 1.039 1182 D CA 0.139 54.132 54.000 -0.013 0.000 0.866 1182 D CB 0.154 40.952 40.800 -0.004 0.000 0.913 1182 D HN 0.161 nan 8.370 nan 0.000 0.523 1183 V N 2.686 122.575 119.914 -0.042 0.000 2.530 1183 V HA 0.119 4.240 4.120 0.002 0.000 0.282 1183 V C -1.979 174.094 176.094 -0.035 0.000 1.048 1183 V CA -1.453 60.801 62.300 -0.076 0.000 0.997 1183 V CB 1.145 32.914 31.823 -0.091 0.000 0.987 1183 V HN -0.112 nan 8.190 nan 0.000 0.477 1184 P HA 0.153 nan 4.420 nan 0.000 0.264 1184 P C 0.956 178.272 177.300 0.027 0.000 1.183 1184 P CA 1.415 64.495 63.100 -0.034 0.000 0.763 1184 P CB 0.523 32.174 31.700 -0.082 0.000 0.807 1185 G N 2.387 111.173 108.800 -0.023 0.000 2.184 1185 G HA2 -0.207 3.754 3.960 0.002 0.000 0.264 1185 G HA3 -0.207 3.754 3.960 0.002 0.000 0.264 1185 G C 0.051 174.945 174.900 -0.009 0.000 0.975 1185 G CA -0.351 44.713 45.100 -0.060 0.000 0.642 1185 G HN 0.479 nan 8.290 nan 0.000 0.536 1186 I N 1.488 122.076 120.570 0.030 0.000 2.382 1186 I HA 0.628 4.799 4.170 0.002 0.000 0.286 1186 I C 0.917 177.039 176.117 0.008 0.000 1.002 1186 I CA -0.095 61.223 61.300 0.030 0.000 1.135 1186 I CB 0.758 38.788 38.000 0.050 0.000 1.288 1186 I HN 0.165 nan 8.210 nan 0.000 0.448 1187 G N 4.432 113.233 108.800 0.002 0.000 3.075 1187 G HA2 0.322 4.283 3.960 0.002 0.000 0.253 1187 G HA3 0.322 4.283 3.960 0.002 0.000 0.253 1187 G C 0.517 175.417 174.900 -0.001 0.000 1.353 1187 G CA -0.527 44.573 45.100 -0.001 0.000 1.051 1187 G HN 0.596 nan 8.290 nan 0.000 0.553 1188 N N -0.625 118.074 118.700 -0.001 0.000 2.061 1188 N HA -0.157 4.584 4.740 0.002 0.000 0.193 1188 N C 2.140 177.648 175.510 -0.003 0.000 1.030 1188 N CA 1.028 54.077 53.050 -0.002 0.000 0.856 1188 N CB -0.072 38.414 38.487 -0.001 0.000 1.023 1188 N HN 0.283 nan 8.380 nan 0.000 0.424 1189 I N 1.053 121.621 120.570 -0.004 0.000 2.163 1189 I HA -0.223 3.948 4.170 0.002 0.000 0.243 1189 I C 2.067 178.181 176.117 -0.006 0.000 1.085 1189 I CA 1.564 62.860 61.300 -0.006 0.000 1.347 1189 I CB -1.423 36.572 38.000 -0.008 0.000 1.044 1189 I HN 0.211 nan 8.210 nan 0.000 0.408 1190 T N 1.237 115.788 114.554 -0.004 0.000 2.812 1190 T HA -0.028 4.324 4.350 0.002 0.000 0.264 1190 T C 2.071 176.770 174.700 -0.001 0.000 1.042 1190 T CA 1.323 63.422 62.100 -0.001 0.000 1.140 1190 T CB -0.255 68.616 68.868 0.005 0.000 0.870 1190 T HN 0.446 nan 8.240 nan 0.000 0.445 1191 A N 1.750 124.570 122.820 0.000 0.000 1.978 1191 A HA -0.163 4.158 4.320 0.002 0.000 0.220 1191 A C 2.277 179.860 177.584 -0.003 0.000 1.170 1191 A CA 1.386 53.423 52.037 -0.001 0.000 0.636 1191 A CB -0.350 18.649 19.000 -0.001 0.000 0.810 1191 A HN 0.314 nan 8.150 nan 0.000 0.448 1192 E N 0.354 120.551 120.200 -0.004 0.000 2.028 1192 E HA -0.131 4.220 4.350 0.002 0.000 0.191 1192 E C 1.928 178.524 176.600 -0.007 0.000 0.988 1192 E CA 1.312 57.709 56.400 -0.005 0.000 0.799 1192 E CB -0.452 29.245 29.700 -0.005 0.000 0.755 1192 E HN 0.687 nan 8.360 nan 0.000 0.447 1193 K N 0.546 120.941 120.400 -0.008 0.000 2.152 1193 K HA -0.090 4.231 4.320 0.002 0.000 0.206 1193 K C 2.318 178.912 176.600 -0.011 0.000 1.048 1193 K CA 0.925 57.205 56.287 -0.011 0.000 0.933 1193 K CB -0.176 32.316 32.500 -0.014 0.000 0.721 1193 K HN 0.095 nan 8.250 nan 0.000 0.447 1194 L N 0.762 121.980 121.223 -0.008 0.000 2.095 1194 L HA -0.099 4.242 4.340 0.002 0.000 0.204 1194 L C 2.581 179.448 176.870 -0.006 0.000 1.080 1194 L CA 0.950 55.785 54.840 -0.007 0.000 0.759 1194 L CB -0.375 41.681 42.059 -0.005 0.000 0.914 1194 L HN 0.119 nan 8.230 nan 0.000 0.439 1195 K N 1.063 121.460 120.400 -0.005 0.000 2.113 1195 K HA -0.226 4.095 4.320 0.002 0.000 0.208 1195 K C 1.957 178.554 176.600 -0.005 0.000 1.047 1195 K CA 1.552 57.836 56.287 -0.004 0.000 0.928 1195 K CB 0.025 32.523 32.500 -0.004 0.000 0.716 1195 K HN 0.127 nan 8.250 nan 0.000 0.446 1196 K N 0.112 120.508 120.400 -0.006 0.000 2.519 1196 K HA -0.059 4.262 4.320 0.002 0.000 0.196 1196 K C 0.980 177.576 176.600 -0.008 0.000 1.041 1196 K CA 0.641 56.923 56.287 -0.007 0.000 0.954 1196 K CB 0.124 32.619 32.500 -0.009 0.000 0.774 1196 K HN 0.239 nan 8.250 nan 0.000 0.480 1197 L N -1.115 120.103 121.223 -0.008 0.000 3.069 1197 L HA 0.210 4.551 4.340 0.002 0.000 0.271 1197 L C 0.871 177.738 176.870 -0.005 0.000 1.201 1197 L CA -0.073 54.762 54.840 -0.008 0.000 1.015 1197 L CB 1.027 43.079 42.059 -0.011 0.000 1.371 1197 L HN 0.305 nan 8.230 nan 0.000 0.574 1198 G N 0.941 109.738 108.800 -0.004 0.000 2.179 1198 G HA2 -0.290 3.671 3.960 0.002 0.000 0.260 1198 G HA3 -0.290 3.671 3.960 0.002 0.000 0.260 1198 G C 0.314 175.213 174.900 -0.002 0.000 0.977 1198 G CA -0.102 44.997 45.100 -0.002 0.000 0.641 1198 G HN 0.283 nan 8.290 nan 0.000 0.533 1199 I N 1.663 122.232 120.570 -0.002 0.000 2.363 1199 I HA 0.252 4.423 4.170 0.002 0.000 0.292 1199 I C 0.791 176.906 176.117 -0.002 0.000 1.075 1199 I CA -0.397 60.902 61.300 -0.002 0.000 1.333 1199 I CB 0.716 38.715 38.000 -0.002 0.000 1.415 1199 I HN 0.040 nan 8.210 nan 0.000 0.502 1200 N N 4.665 123.364 118.700 -0.002 0.000 2.297 1200 N HA 0.133 4.874 4.740 0.002 0.000 0.208 1200 N C -0.000 175.509 175.510 -0.002 0.000 1.176 1200 N CA 0.198 53.246 53.050 -0.002 0.000 0.882 1200 N CB 0.833 39.319 38.487 -0.001 0.000 1.134 1200 N HN 0.422 nan 8.380 nan 0.000 0.489 1201 K N 0.576 120.975 120.400 -0.002 0.000 2.400 1201 K HA 0.330 4.651 4.320 0.002 0.000 0.246 1201 K C 1.087 177.685 176.600 -0.004 0.000 0.995 1201 K CA -0.695 55.591 56.287 -0.001 0.000 0.840 1201 K CB 1.585 34.086 32.500 0.002 0.000 1.293 1201 K HN -0.177 nan 8.250 nan 0.000 0.445 1202 L N 1.034 122.254 121.223 -0.005 0.000 2.081 1202 L HA -0.201 4.140 4.340 0.002 0.000 0.212 1202 L C 2.079 178.947 176.870 -0.004 0.000 1.080 1202 L CA 1.350 56.182 54.840 -0.014 0.000 0.754 1202 L CB -0.064 41.989 42.059 -0.009 0.000 0.893 1202 L HN 0.436 nan 8.230 nan 0.000 0.433 1203 V N -0.034 119.882 119.914 0.005 0.000 2.490 1203 V HA -0.290 3.831 4.120 0.002 0.000 0.250 1203 V C 1.880 177.978 176.094 0.006 0.000 1.061 1203 V CA 2.159 64.463 62.300 0.007 0.000 1.064 1203 V CB -0.394 31.432 31.823 0.005 0.000 0.670 1203 V HN 0.511 nan 8.190 nan 0.000 0.461 1204 D N 0.185 120.587 120.400 0.004 0.000 2.221 1204 D HA -0.149 4.492 4.640 0.002 0.000 0.204 1204 D C 2.298 178.603 176.300 0.010 0.000 0.982 1204 D CA 1.842 55.845 54.000 0.005 0.000 0.857 1204 D CB -0.491 40.311 40.800 0.003 0.000 0.934 1204 D HN 0.716 nan 8.370 nan 0.000 0.475 1205 T N -1.187 113.373 114.554 0.010 0.000 2.929 1205 T HA -0.087 4.264 4.350 0.002 0.000 0.271 1205 T C 2.053 176.773 174.700 0.033 0.000 1.085 1205 T CA 0.508 62.620 62.100 0.020 0.000 1.125 1205 T CB -0.431 68.447 68.868 0.017 0.000 0.874 1205 T HN 0.176 nan 8.240 nan 0.000 0.494 1206 L N 0.731 121.969 121.223 0.026 0.000 2.552 1206 L HA 0.134 4.475 4.340 0.002 0.000 0.227 1206 L C 2.461 179.347 176.870 0.027 0.000 1.146 1206 L CA 0.438 55.295 54.840 0.029 0.000 0.858 1206 L CB -0.259 41.812 42.059 0.020 0.000 0.969 1206 L HN 0.304 nan 8.230 nan 0.000 0.451 1207 S N -0.705 115.008 115.700 0.023 0.000 2.486 1207 S HA 0.188 4.659 4.470 0.002 0.000 0.220 1207 S C 0.802 175.416 174.600 0.023 0.000 1.011 1207 S CA -0.094 58.117 58.200 0.019 0.000 0.921 1207 S CB 0.428 63.636 63.200 0.012 0.000 0.785 1207 S HN 0.187 nan 8.310 nan 0.000 0.517 1208 I N 1.668 122.254 120.570 0.028 0.000 2.566 1208 I HA 0.238 4.409 4.170 0.002 0.000 0.303 1208 I C 0.211 176.357 176.117 0.049 0.000 0.983 1208 I CA -0.667 60.650 61.300 0.028 0.000 1.235 1208 I CB 1.049 39.059 38.000 0.017 0.000 1.386 1208 I HN -0.001 nan 8.210 nan 0.000 0.494 1209 E N 4.351 124.578 120.200 0.045 0.000 2.383 1209 E HA -0.060 4.291 4.350 0.002 0.000 0.264 1209 E C 0.277 176.937 176.600 0.100 0.000 1.050 1209 E CA 0.090 56.535 56.400 0.075 0.000 0.896 1209 E CB 0.955 30.687 29.700 0.054 0.000 0.982 1209 E HN 0.566 nan 8.360 nan 0.000 0.424 1210 F N 4.108 124.061 119.950 0.005 0.000 2.102 1210 F HA -0.186 4.342 4.527 0.002 0.000 0.298 1210 F C 1.288 177.092 175.800 0.008 0.000 1.105 1210 F CA 1.920 59.925 58.000 0.008 0.000 1.239 1210 F CB 0.138 39.144 39.000 0.009 0.000 0.991 1210 F HN 0.467 nan 8.300 nan 0.000 0.474 1211 D N 0.077 120.401 120.400 -0.127 0.000 2.219 1211 D HA -0.138 4.503 4.640 0.002 0.000 0.205 1211 D C 2.019 178.202 176.300 -0.195 0.000 0.970 1211 D CA 1.056 54.922 54.000 -0.225 0.000 0.851 1211 D CB -0.283 40.500 40.800 -0.029 0.000 0.943 1211 D HN 0.193 nan 8.370 nan 0.000 0.488 1212 K N -0.206 120.124 120.400 -0.117 0.000 2.211 1212 K HA -0.013 4.308 4.320 0.002 0.000 0.203 1212 K C 1.632 178.163 176.600 -0.116 0.000 1.050 1212 K CA 0.420 56.655 56.287 -0.087 0.000 0.945 1212 K CB -0.044 32.431 32.500 -0.041 0.000 0.732 1212 K HN 0.041 nan 8.250 nan 0.000 0.451 1213 L N 0.265 121.386 121.223 -0.171 0.000 2.168 1213 L HA 0.038 4.379 4.340 0.002 0.000 0.203 1213 L C 1.957 178.681 176.870 -0.243 0.000 1.078 1213 L CA 1.402 56.143 54.840 -0.166 0.000 0.780 1213 L CB -0.388 41.601 42.059 -0.117 0.000 0.939 1213 L HN -0.045 nan 8.230 nan 0.000 0.451 1214 K N 0.076 120.192 120.400 -0.472 0.000 2.089 1214 K HA -0.168 4.153 4.320 0.002 0.000 0.210 1214 K C 1.870 178.330 176.600 -0.233 0.000 1.048 1214 K CA 1.692 57.697 56.287 -0.471 0.000 0.926 1214 K CB -0.834 31.213 32.500 -0.755 0.000 0.714 1214 K HN 0.490 nan 8.250 nan 0.000 0.448 1215 G N 0.862 109.546 108.800 -0.193 0.000 2.404 1215 G HA2 -0.270 3.691 3.960 0.002 0.000 0.215 1215 G HA3 -0.270 3.691 3.960 0.002 0.000 0.215 1215 G C 1.550 176.399 174.900 -0.085 0.000 1.174 1215 G CA 1.014 46.046 45.100 -0.113 0.000 0.780 1215 G HN 0.312 nan 8.290 nan 0.000 0.537 1216 M N 1.059 120.608 119.600 -0.085 0.000 2.099 1216 M HA 0.104 4.585 4.480 0.002 0.000 0.262 1216 M C 2.126 178.397 176.300 -0.048 0.000 1.067 1216 M CA 1.396 56.662 55.300 -0.057 0.000 1.124 1216 M CB -0.247 32.322 32.600 -0.050 0.000 1.353 1216 M HN 0.433 nan 8.290 nan 0.000 0.410 1217 I N -3.584 116.954 120.570 -0.054 0.000 4.147 1217 I HA 0.597 4.768 4.170 0.002 0.000 0.329 1217 I C 0.607 176.705 176.117 -0.033 0.000 1.424 1217 I CA -0.068 61.211 61.300 -0.034 0.000 1.127 1217 I CB -0.175 37.815 38.000 -0.018 0.000 1.128 1217 I HN 0.315 nan 8.210 nan 0.000 0.417 1218 G N 1.758 110.527 108.800 -0.052 0.000 2.690 1218 G HA2 -0.201 3.760 3.960 0.002 0.000 0.686 1218 G HA3 -0.201 3.760 3.960 0.002 0.000 0.686 1218 G C 0.074 174.950 174.900 -0.039 0.000 1.277 1218 G CA 0.151 45.225 45.100 -0.043 0.000 0.799 1218 G HN 0.360 nan 8.290 nan 0.000 0.613 1219 E N 0.256 120.445 120.200 -0.018 0.000 2.015 1219 E HA -0.056 4.295 4.350 0.002 0.000 0.191 1219 E C 2.948 179.604 176.600 0.095 0.000 0.991 1219 E CA 1.741 58.161 56.400 0.033 0.000 0.802 1219 E CB -0.218 29.521 29.700 0.066 0.000 0.759 1219 E HN 1.014 nan 8.360 nan 0.000 0.447 1220 A N 1.567 124.427 122.820 0.067 0.000 1.873 1220 A HA -0.248 4.073 4.320 0.002 0.000 0.218 1220 A C 2.081 179.731 177.584 0.111 0.000 1.193 1220 A CA 1.965 54.046 52.037 0.073 0.000 0.629 1220 A CB -0.488 18.523 19.000 0.019 0.000 0.826 1220 A HN 0.148 nan 8.150 nan 0.000 0.447 1221 K N -0.745 119.704 120.400 0.081 0.000 2.211 1221 K HA 0.019 4.340 4.320 0.002 0.000 0.203 1221 K C 2.228 178.930 176.600 0.171 0.000 1.050 1221 K CA 0.853 57.219 56.287 0.133 0.000 0.945 1221 K CB -0.231 32.311 32.500 0.070 0.000 0.732 1221 K HN 0.477 nan 8.250 nan 0.000 0.451 1222 A N 1.637 124.528 122.820 0.118 0.000 1.897 1222 A HA -0.143 4.178 4.320 0.002 0.000 0.215 1222 A C 1.829 179.566 177.584 0.255 0.000 1.181 1222 A CA 1.265 53.376 52.037 0.122 0.000 0.620 1222 A CB -0.141 18.841 19.000 -0.029 0.000 0.821 1222 A HN 0.149 nan 8.150 nan 0.000 0.443 1223 K N -1.647 118.935 120.400 0.303 0.000 2.057 1223 K HA -0.134 4.187 4.320 0.002 0.000 0.206 1223 K C 1.976 178.717 176.600 0.233 0.000 1.050 1223 K CA 1.594 58.048 56.287 0.278 0.000 0.935 1223 K CB -0.362 32.273 32.500 0.224 0.000 0.715 1223 K HN 0.604 nan 8.250 nan 0.000 0.439 1224 Y N 1.836 122.201 120.300 0.109 0.000 2.114 1224 Y HA -0.185 4.366 4.550 0.002 0.000 0.284 1224 Y C 1.796 177.734 175.900 0.064 0.000 1.143 1224 Y CA 1.337 59.497 58.100 0.100 0.000 1.135 1224 Y CB -0.380 38.117 38.460 0.061 0.000 0.980 1224 Y HN -0.088 nan 8.280 nan 0.000 0.499 1225 L N -0.392 120.799 121.223 -0.053 0.000 2.046 1225 L HA -0.241 4.100 4.340 0.002 0.000 0.208 1225 L C 2.469 179.284 176.870 -0.093 0.000 1.077 1225 L CA 1.613 56.351 54.840 -0.170 0.000 0.747 1225 L CB -0.552 41.489 42.059 -0.031 0.000 0.896 1225 L HN 0.290 nan 8.230 nan 0.000 0.432 1226 I N -0.508 120.073 120.570 0.018 0.000 2.226 1226 I HA -0.292 3.879 4.170 0.002 0.000 0.245 1226 I C 2.755 178.886 176.117 0.024 0.000 1.100 1226 I CA 1.583 62.908 61.300 0.042 0.000 1.374 1226 I CB -0.249 37.813 38.000 0.105 0.000 1.057 1226 I HN 0.326 nan 8.210 nan 0.000 0.413 1227 S N 1.002 116.725 115.700 0.038 0.000 2.382 1227 S HA -0.129 4.342 4.470 0.002 0.000 0.228 1227 S C 1.998 176.647 174.600 0.081 0.000 1.027 1227 S CA 0.871 59.117 58.200 0.076 0.000 0.991 1227 S CB -0.883 62.401 63.200 0.139 0.000 0.823 1227 S HN 0.376 nan 8.310 nan 0.000 0.469 1228 L N 1.551 122.744 121.223 -0.051 0.000 1.994 1228 L HA -0.065 4.276 4.340 0.002 0.000 0.208 1228 L C 3.235 180.130 176.870 0.042 0.000 1.071 1228 L CA 1.344 56.130 54.840 -0.090 0.000 0.745 1228 L CB -0.932 40.870 42.059 -0.427 0.000 0.892 1228 L HN 0.468 nan 8.230 nan 0.000 0.431 1229 A N -0.205 122.610 122.820 -0.008 0.000 1.978 1229 A HA -0.203 4.118 4.320 0.002 0.000 0.220 1229 A C 2.309 179.915 177.584 0.037 0.000 1.170 1229 A CA 1.486 53.536 52.037 0.022 0.000 0.636 1229 A CB -0.483 18.519 19.000 0.003 0.000 0.810 1229 A HN 0.358 nan 8.150 nan 0.000 0.448 1230 R N -1.632 118.893 120.500 0.041 0.000 2.299 1230 R HA -0.005 4.337 4.340 0.002 0.000 0.197 1230 R C 0.187 176.517 176.300 0.050 0.000 0.971 1230 R CA 0.588 56.710 56.100 0.038 0.000 1.030 1230 R CB 0.002 30.322 30.300 0.032 0.000 0.932 1230 R HN 0.438 nan 8.270 nan 0.000 0.477 1231 D N 0.157 120.608 120.400 0.084 0.000 3.012 1231 D HA -0.202 4.439 4.640 0.002 0.000 0.222 1231 D C 0.731 177.101 176.300 0.117 0.000 1.167 1231 D CA 1.219 55.285 54.000 0.111 0.000 0.854 1231 D CB -0.711 40.115 40.800 0.042 0.000 1.107 1231 D HN 0.325 nan 8.370 nan 0.000 0.421 1232 E N -1.083 119.183 120.200 0.111 0.000 2.112 1232 E HA -0.026 4.325 4.350 0.002 0.000 0.190 1232 E C 0.638 177.310 176.600 0.120 0.000 0.979 1232 E CA 0.149 56.600 56.400 0.086 0.000 0.814 1232 E CB -0.011 29.723 29.700 0.057 0.000 0.762 1232 E HN 0.560 nan 8.360 nan 0.000 0.460 1233 Y N 0.712 121.034 120.300 0.037 0.000 2.904 1233 Y HA -0.120 4.431 4.550 0.001 0.000 0.336 1233 Y C 0.387 176.320 175.900 0.055 0.000 1.263 1233 Y CA 0.810 58.933 58.100 0.037 0.000 1.547 1233 Y CB 0.325 38.790 38.460 0.007 0.000 1.272 1233 Y HN -0.012 nan 8.280 nan 0.000 0.596 1234 N N 2.299 120.670 118.700 -0.548 0.000 2.073 1234 N HA -0.002 4.739 4.740 0.002 0.000 0.227 1234 N C -1.438 173.840 175.510 -0.387 0.000 1.367 1234 N CA -0.075 52.800 53.050 -0.290 0.000 0.775 1234 N CB 0.243 38.654 38.487 -0.126 0.000 1.234 1234 N HN 0.603 nan 8.380 nan 0.000 0.512 1235 E N 2.132 121.870 120.200 -0.770 0.000 2.652 1235 E HA 0.022 4.374 4.350 0.002 0.000 0.255 1235 E C -2.064 174.427 176.600 -0.182 0.000 0.952 1235 E CA -0.537 55.612 56.400 -0.418 0.000 0.947 1235 E CB 0.158 29.621 29.700 -0.394 0.000 0.912 1235 E HN 0.356 nan 8.360 nan 0.000 0.489 1236 P HA 0.192 nan 4.420 nan 0.000 0.276 1236 P C -0.018 177.253 177.300 -0.047 0.000 1.252 1236 P CA -0.614 62.452 63.100 -0.056 0.000 0.802 1236 P CB 0.620 32.294 31.700 -0.042 0.000 1.035 1237 I N 2.044 122.605 120.570 -0.014 0.000 2.581 1237 I HA -0.002 4.169 4.170 0.002 0.000 0.285 1237 I C 1.491 177.610 176.117 0.004 0.000 1.129 1237 I CA 0.595 61.894 61.300 -0.001 0.000 1.397 1237 I CB -0.410 37.624 38.000 0.057 0.000 1.399 1237 I HN 0.245 nan 8.210 nan 0.000 0.537 1238 R N 4.245 124.742 120.500 -0.006 0.000 2.343 1238 R HA 0.356 4.697 4.340 0.002 0.000 0.320 1238 R C 0.657 176.974 176.300 0.029 0.000 0.956 1238 R CA -0.320 55.784 56.100 0.006 0.000 0.836 1238 R CB 0.694 30.989 30.300 -0.008 0.000 1.151 1238 R HN 0.689 nan 8.270 nan 0.000 0.450 1239 T N 1.206 115.781 114.554 0.036 0.000 2.867 1239 T HA -0.125 4.226 4.350 0.002 0.000 0.268 1239 T C 1.461 176.192 174.700 0.051 0.000 1.057 1239 T CA 0.864 62.992 62.100 0.047 0.000 1.136 1239 T CB -0.060 68.833 68.868 0.042 0.000 0.874 1239 T HN 0.631 nan 8.240 nan 0.000 0.466 1240 R N 0.486 121.015 120.500 0.048 0.000 2.072 1240 R HA 0.292 4.633 4.340 0.002 0.000 0.221 1240 R C 2.234 178.577 176.300 0.072 0.000 1.166 1240 R CA 1.013 57.151 56.100 0.063 0.000 0.917 1240 R CB -1.137 29.200 30.300 0.061 0.000 0.815 1240 R HN 0.154 nan 8.270 nan 0.000 0.444 1241 V N -0.116 119.831 119.914 0.055 0.000 0.465 1241 V HA -0.395 3.727 4.120 0.002 0.000 0.092 1241 V C 0.238 176.374 176.094 0.070 0.000 2.474 1241 V CA 2.452 64.782 62.300 0.049 0.000 3.680 1241 V CB -0.506 31.345 31.823 0.047 0.000 0.959 1241 V HN 0.471 nan 8.190 nan 0.000 1.006 1242 R N 0.404 120.973 120.500 0.115 0.000 2.296 1242 R HA 0.394 4.735 4.340 0.002 0.000 0.323 1242 R C 0.512 176.942 176.300 0.218 0.000 1.067 1242 R CA 0.527 56.731 56.100 0.174 0.000 0.946 1242 R CB 1.080 31.503 30.300 0.206 0.000 0.991 1242 R HN 0.432 nan 8.270 nan 0.000 0.448 1243 K N 0.600 121.054 120.400 0.091 0.000 2.365 1243 K HA 0.212 4.533 4.320 0.002 0.000 0.195 1243 K C -0.508 175.861 176.600 -0.384 0.000 1.079 1243 K CA 0.587 56.787 56.287 -0.145 0.000 0.979 1243 K CB 0.793 33.227 32.500 -0.111 0.000 0.929 1243 K HN 0.652 nan 8.250 nan 0.000 0.523 1244 S N -0.148 115.538 115.700 -0.024 0.000 2.536 1244 S HA 0.650 5.121 4.470 0.002 0.000 0.271 1244 S C -1.020 173.768 174.600 0.314 0.000 1.134 1244 S CA -0.967 57.288 58.200 0.093 0.000 0.897 1244 S CB 1.547 64.753 63.200 0.010 0.000 1.094 1244 S HN -0.094 nan 8.310 nan 0.000 0.473 1245 I N 1.764 122.597 120.570 0.438 0.000 2.619 1245 I HA 0.828 4.999 4.170 0.002 0.000 0.292 1245 I C 0.499 176.806 176.117 0.317 0.000 1.100 1245 I CA -0.236 61.260 61.300 0.327 0.000 1.043 1245 I CB 1.578 39.733 38.000 0.258 0.000 1.239 1245 I HN 1.125 nan 8.210 nan 0.000 0.420 1246 G N 4.356 113.297 108.800 0.235 0.000 2.606 1246 G HA2 0.736 4.697 3.960 0.002 0.000 0.300 1246 G HA3 0.736 4.697 3.960 0.002 0.000 0.300 1246 G C -1.779 173.228 174.900 0.179 0.000 1.360 1246 G CA -0.682 44.548 45.100 0.217 0.000 0.783 1246 G HN 0.555 nan 8.290 nan 0.000 0.484 1247 R N -0.894 119.700 120.500 0.156 0.000 2.522 1247 R HA 0.572 4.913 4.340 0.002 0.000 0.273 1247 R C -1.803 174.558 176.300 0.101 0.000 1.133 1247 R CA -0.632 55.549 56.100 0.134 0.000 0.969 1247 R CB 1.205 31.600 30.300 0.158 0.000 1.235 1247 R HN 1.124 nan 8.270 nan 0.000 0.433 1248 I N 4.186 124.803 120.570 0.078 0.000 2.439 1248 I HA 0.643 4.814 4.170 0.002 0.000 0.285 1248 I C -1.005 175.141 176.117 0.048 0.000 1.021 1248 I CA -0.956 60.376 61.300 0.053 0.000 1.091 1248 I CB 1.914 39.931 38.000 0.028 0.000 1.242 1248 I HN 0.498 nan 8.210 nan 0.000 0.439 1249 V N 2.688 122.632 119.914 0.050 0.000 2.539 1249 V HA 0.584 4.705 4.120 0.002 0.000 0.292 1249 V C 0.351 176.431 176.094 -0.022 0.000 1.045 1249 V CA -0.118 62.214 62.300 0.054 0.000 0.945 1249 V CB 1.184 33.090 31.823 0.139 0.000 0.993 1249 V HN 0.803 nan 8.190 nan 0.000 0.464 1250 T N 7.035 121.570 114.554 -0.031 0.000 2.832 1250 T HA 0.451 4.802 4.350 0.002 0.000 0.296 1250 T C 0.174 174.744 174.700 -0.217 0.000 0.968 1250 T CA -0.081 61.958 62.100 -0.101 0.000 1.107 1250 T CB 0.562 69.396 68.868 -0.057 0.000 0.916 1250 T HN 0.718 nan 8.240 nan 0.000 0.517 1251 M N 2.437 121.791 119.600 -0.411 0.000 2.283 1251 M HA 0.318 4.799 4.480 0.002 0.000 0.314 1251 M C 1.581 177.716 176.300 -0.276 0.000 1.153 1251 M CA -0.559 54.278 55.300 -0.771 0.000 1.084 1251 M CB 0.900 32.930 32.600 -0.949 0.000 1.468 1251 M HN 0.558 nan 8.290 nan 0.000 0.474 1252 K N 0.427 120.767 120.400 -0.101 0.000 2.097 1252 K HA -0.103 4.218 4.320 0.002 0.000 0.205 1252 K C 0.126 176.731 176.600 0.008 0.000 1.050 1252 K CA 1.280 57.589 56.287 0.036 0.000 0.938 1252 K CB 0.123 32.708 32.500 0.141 0.000 0.718 1252 K HN 0.555 nan 8.250 nan 0.000 0.442 1253 R N -0.108 120.379 120.500 -0.022 0.000 2.771 1253 R HA 0.316 4.657 4.340 0.002 0.000 0.274 1253 R C -1.231 175.036 176.300 -0.055 0.000 0.987 1253 R CA -1.091 54.999 56.100 -0.016 0.000 0.908 1253 R CB 0.511 30.822 30.300 0.018 0.000 1.213 1253 R HN -0.242 nan 8.270 nan 0.000 0.468 1254 N N 0.643 119.320 118.700 -0.038 0.000 2.454 1254 N HA 0.164 4.905 4.740 0.002 0.000 0.260 1254 N C -0.900 174.591 175.510 -0.033 0.000 1.218 1254 N CA 0.156 53.179 53.050 -0.045 0.000 0.904 1254 N CB 1.307 39.777 38.487 -0.028 0.000 1.065 1254 N HN 0.605 nan 8.380 nan 0.000 0.462 1255 S N 1.198 116.873 115.700 -0.041 0.000 2.579 1255 S HA 0.531 5.002 4.470 0.002 0.000 0.272 1255 S C 0.120 174.707 174.600 -0.022 0.000 1.141 1255 S CA -0.723 57.463 58.200 -0.023 0.000 0.843 1255 S CB 1.262 64.452 63.200 -0.016 0.000 1.122 1255 S HN 0.601 nan 8.310 nan 0.000 0.468 1256 R N 0.783 121.276 120.500 -0.011 0.000 2.531 1256 R HA 0.240 4.581 4.340 0.002 0.000 0.316 1256 R C -0.396 175.902 176.300 -0.004 0.000 0.955 1256 R CA -0.210 55.885 56.100 -0.009 0.000 1.120 1256 R CB 0.222 30.518 30.300 -0.006 0.000 1.361 1256 R HN 0.558 nan 8.270 nan 0.000 0.534 1257 N N 1.742 120.443 118.700 0.002 0.000 2.420 1257 N HA -0.041 4.700 4.740 0.002 0.000 0.262 1257 N C 0.933 176.446 175.510 0.006 0.000 1.144 1257 N CA -0.041 53.014 53.050 0.009 0.000 0.952 1257 N CB 0.983 39.480 38.487 0.017 0.000 1.081 1257 N HN 0.006 nan 8.380 nan 0.000 0.480 1258 L N 3.610 124.835 121.223 0.003 0.000 2.043 1258 L HA -0.115 4.226 4.340 0.002 0.000 0.212 1258 L C 1.709 178.573 176.870 -0.011 0.000 1.075 1258 L CA 1.818 56.654 54.840 -0.007 0.000 0.752 1258 L CB -0.282 41.778 42.059 0.002 0.000 0.891 1258 L HN 0.609 nan 8.230 nan 0.000 0.432 1259 E N -0.636 119.569 120.200 0.009 0.000 2.208 1259 E HA -0.230 4.121 4.350 0.002 0.000 0.193 1259 E C 2.020 178.629 176.600 0.016 0.000 0.988 1259 E CA 1.071 57.481 56.400 0.016 0.000 0.828 1259 E CB 0.009 29.726 29.700 0.029 0.000 0.763 1259 E HN 0.696 nan 8.360 nan 0.000 0.478 1260 E N 0.343 120.562 120.200 0.031 0.000 2.170 1260 E HA -0.037 4.314 4.350 0.002 0.000 0.191 1260 E C 2.035 178.714 176.600 0.133 0.000 0.981 1260 E CA 0.241 56.684 56.400 0.072 0.000 0.830 1260 E CB 0.138 29.882 29.700 0.073 0.000 0.775 1260 E HN 0.152 nan 8.360 nan 0.000 0.470 1261 I N 0.719 121.332 120.570 0.071 0.000 2.333 1261 I HA -0.177 3.994 4.170 0.002 0.000 0.246 1261 I C 2.359 178.465 176.117 -0.018 0.000 1.106 1261 I CA 0.655 62.002 61.300 0.079 0.000 1.411 1261 I CB -0.131 37.861 38.000 -0.014 0.000 1.082 1261 I HN -0.017 nan 8.210 nan 0.000 0.420 1262 K N 0.783 121.080 120.400 -0.172 0.000 2.052 1262 K HA -0.229 4.092 4.320 0.002 0.000 0.215 1262 K C -0.477 175.743 176.600 -0.633 0.000 1.053 1262 K CA 2.287 58.260 56.287 -0.523 0.000 0.934 1262 K CB -1.292 30.966 32.500 -0.404 0.000 0.717 1262 K HN 0.250 nan 8.250 nan 0.000 0.450 1263 P HA -0.158 nan 4.420 nan 0.000 0.216 1263 P C 0.769 177.951 177.300 -0.195 0.000 1.150 1263 P CA 1.325 64.330 63.100 -0.158 0.000 0.837 1263 P CB -0.029 31.549 31.700 -0.204 0.000 0.786 1264 Y N -0.917 119.321 120.300 -0.103 0.000 2.163 1264 Y HA -0.134 4.417 4.550 0.002 0.000 0.288 1264 Y C 2.306 178.152 175.900 -0.090 0.000 1.136 1264 Y CA 0.823 58.883 58.100 -0.066 0.000 1.147 1264 Y CB -1.403 37.022 38.460 -0.060 0.000 0.987 1264 Y HN -0.138 nan 8.280 nan 0.000 0.509 1265 L N -0.839 120.353 121.223 -0.052 0.000 2.042 1265 L HA -0.225 4.116 4.340 0.002 0.000 0.210 1265 L C 1.903 178.727 176.870 -0.078 0.000 1.076 1265 L CA 1.774 56.533 54.840 -0.135 0.000 0.749 1265 L CB -0.978 40.897 42.059 -0.307 0.000 0.893 1265 L HN 0.076 nan 8.230 nan 0.000 0.432 1266 F N -0.102 119.789 119.950 -0.100 0.000 2.186 1266 F HA -0.097 4.431 4.527 0.002 0.000 0.299 1266 F C 2.785 178.551 175.800 -0.056 0.000 1.090 1266 F CA 1.378 59.249 58.000 -0.215 0.000 1.307 1266 F CB -1.094 37.811 39.000 -0.157 0.000 1.019 1266 F HN 0.122 nan 8.300 nan 0.000 0.489 1267 R N 0.417 121.022 120.500 0.175 0.000 2.091 1267 R HA -0.159 4.182 4.340 0.002 0.000 0.238 1267 R C 2.376 178.766 176.300 0.150 0.000 1.136 1267 R CA 1.378 57.558 56.100 0.134 0.000 0.959 1267 R CB -0.480 29.869 30.300 0.081 0.000 0.856 1267 R HN 0.225 nan 8.270 nan 0.000 0.437 1268 A N 0.998 123.907 122.820 0.149 0.000 1.883 1268 A HA -0.185 4.136 4.320 0.002 0.000 0.217 1268 A C 2.136 179.870 177.584 0.251 0.000 1.186 1268 A CA 1.658 53.798 52.037 0.172 0.000 0.624 1268 A CB -0.566 18.516 19.000 0.136 0.000 0.822 1268 A HN 0.362 nan 8.150 nan 0.000 0.444 1269 I N -0.542 120.185 120.570 0.261 0.000 2.142 1269 I HA -0.229 3.942 4.170 0.002 0.000 0.240 1269 I C 2.546 178.908 176.117 0.408 0.000 1.078 1269 I CA 1.367 62.907 61.300 0.400 0.000 1.343 1269 I CB -0.504 37.642 38.000 0.244 0.000 1.046 1269 I HN 0.286 nan 8.210 nan 0.000 0.405 1270 E N 1.047 121.423 120.200 0.293 0.000 2.049 1270 E HA -0.265 4.086 4.350 0.002 0.000 0.198 1270 E C 2.060 178.823 176.600 0.271 0.000 1.007 1270 E CA 1.567 58.126 56.400 0.264 0.000 0.809 1270 E CB -0.379 29.436 29.700 0.191 0.000 0.749 1270 E HN 0.576 nan 8.360 nan 0.000 0.450 1271 E N 0.462 120.799 120.200 0.227 0.000 2.077 1271 E HA -0.108 4.244 4.350 0.002 0.000 0.193 1271 E C 2.216 178.970 176.600 0.257 0.000 0.989 1271 E CA 1.152 57.678 56.400 0.211 0.000 0.800 1271 E CB -0.020 29.772 29.700 0.155 0.000 0.746 1271 E HN 0.079 nan 8.360 nan 0.000 0.452 1272 S N 0.281 116.148 115.700 0.279 0.000 2.368 1272 S HA -0.151 4.320 4.470 0.002 0.000 0.225 1272 S C 1.755 176.387 174.600 0.053 0.000 1.030 1272 S CA 0.986 59.328 58.200 0.237 0.000 0.999 1272 S CB -0.334 63.132 63.200 0.443 0.000 0.844 1272 S HN 0.313 nan 8.310 nan 0.000 0.459 1273 Y N -0.140 120.178 120.300 0.031 0.000 2.293 1273 Y HA -0.112 4.439 4.550 0.002 0.000 0.291 1273 Y C 2.315 178.222 175.900 0.012 0.000 1.137 1273 Y CA 1.223 59.288 58.100 -0.057 0.000 1.202 1273 Y CB -0.388 38.042 38.460 -0.050 0.000 0.990 1273 Y HN 0.275 nan 8.280 nan 0.000 0.537 1274 Y N 1.032 121.399 120.300 0.111 0.000 2.145 1274 Y HA -0.293 4.258 4.550 0.002 0.000 0.286 1274 Y C 2.471 178.382 175.900 0.018 0.000 1.145 1274 Y CA 2.017 60.153 58.100 0.060 0.000 1.148 1274 Y CB -0.318 38.181 38.460 0.064 0.000 0.981 1274 Y HN -0.026 nan 8.280 nan 0.000 0.507 1275 K N -0.068 120.387 120.400 0.092 0.000 2.097 1275 K HA -0.144 4.177 4.320 0.002 0.000 0.205 1275 K C 2.048 178.569 176.600 -0.131 0.000 1.050 1275 K CA 1.413 57.702 56.287 0.003 0.000 0.938 1275 K CB -0.310 32.253 32.500 0.105 0.000 0.718 1275 K HN 0.397 nan 8.250 nan 0.000 0.442 1276 L N 0.670 121.766 121.223 -0.212 0.000 2.017 1276 L HA -0.184 4.157 4.340 0.002 0.000 0.208 1276 L C 0.279 176.962 176.870 -0.311 0.000 1.073 1276 L CA 1.171 55.788 54.840 -0.372 0.000 0.745 1276 L CB -0.621 41.086 42.059 -0.586 0.000 0.894 1276 L HN 0.446 nan 8.230 nan 0.000 0.432 1277 D N 0.481 120.734 120.400 -0.245 0.000 3.478 1277 D HA -0.247 4.394 4.640 0.002 0.000 0.219 1277 D C 0.605 176.801 176.300 -0.173 0.000 1.143 1277 D CA 0.723 54.599 54.000 -0.206 0.000 1.047 1277 D CB -0.108 40.552 40.800 -0.233 0.000 0.820 1277 D HN 0.336 nan 8.370 nan 0.000 0.393 1278 K N -0.348 119.970 120.400 -0.137 0.000 3.471 1278 K HA -0.249 4.072 4.320 0.002 0.000 0.289 1278 K C 0.536 177.057 176.600 -0.130 0.000 0.879 1278 K CA 1.445 57.669 56.287 -0.105 0.000 1.257 1278 K CB -1.267 31.183 32.500 -0.084 0.000 1.334 1278 K HN 0.644 nan 8.250 nan 0.000 0.491 1279 R N 0.977 121.345 120.500 -0.220 0.000 2.389 1279 R HA 0.368 4.709 4.340 0.002 0.000 0.295 1279 R C 0.287 176.412 176.300 -0.292 0.000 1.075 1279 R CA -0.015 55.915 56.100 -0.284 0.000 1.005 1279 R CB 0.318 30.300 30.300 -0.529 0.000 0.987 1279 R HN 0.102 nan 8.270 nan 0.000 0.452 1280 I N 6.027 126.518 120.570 -0.131 0.000 2.355 1280 I HA 0.284 4.455 4.170 0.002 0.000 0.288 1280 I C -1.992 174.188 176.117 0.105 0.000 0.999 1280 I CA -2.413 58.862 61.300 -0.042 0.000 1.163 1280 I CB 1.739 39.754 38.000 0.025 0.000 1.316 1280 I HN 0.359 nan 8.210 nan 0.000 0.454 1281 P HA 0.224 nan 4.420 nan 0.000 0.277 1281 P C -0.477 177.009 177.300 0.309 0.000 1.240 1281 P CA -0.476 62.874 63.100 0.417 0.000 0.798 1281 P CB 1.459 33.451 31.700 0.487 0.000 0.979 1282 K N 0.446 121.018 120.400 0.287 0.000 2.354 1282 K HA 0.354 4.675 4.320 0.002 0.000 0.194 1282 K C 0.576 177.352 176.600 0.294 0.000 1.038 1282 K CA 0.104 56.541 56.287 0.251 0.000 1.052 1282 K CB 0.651 33.254 32.500 0.172 0.000 0.861 1282 K HN 0.498 nan 8.250 nan 0.000 0.535 1283 A N 1.549 124.533 122.820 0.272 0.000 2.371 1283 A HA 0.637 4.958 4.320 0.002 0.000 0.311 1283 A C -1.333 176.364 177.584 0.190 0.000 1.068 1283 A CA -0.679 51.467 52.037 0.182 0.000 0.744 1283 A CB 1.080 20.141 19.000 0.102 0.000 1.239 1283 A HN 0.214 nan 8.150 nan 0.000 0.435 1284 I N 1.973 122.544 120.570 0.002 0.000 2.608 1284 I HA 0.570 4.741 4.170 0.002 0.000 0.295 1284 I C -1.311 174.531 176.117 -0.458 0.000 1.049 1284 I CA -0.540 60.658 61.300 -0.169 0.000 1.063 1284 I CB 1.589 39.587 38.000 -0.004 0.000 1.248 1284 I HN 0.751 nan 8.210 nan 0.000 0.424 1285 H N 6.172 125.131 119.070 -0.186 0.000 2.689 1285 H HA 0.331 4.888 4.556 0.002 0.000 0.346 1285 H C -1.017 174.228 175.328 -0.138 0.000 1.037 1285 H CA -0.636 55.341 56.048 -0.119 0.000 1.234 1285 H CB 2.316 32.024 29.762 -0.089 0.000 1.572 1285 H HN 0.268 nan 8.280 nan 0.000 0.524 1286 V N 4.115 124.032 119.914 0.005 0.000 2.488 1286 V HA 0.094 4.215 4.120 0.002 0.000 0.277 1286 V C 0.330 176.433 176.094 0.015 0.000 1.046 1286 V CA -0.394 61.903 62.300 -0.006 0.000 0.986 1286 V CB 1.220 33.038 31.823 -0.009 0.000 0.989 1286 V HN 0.422 nan 8.190 nan 0.000 0.475 1287 V N 4.502 124.417 119.914 0.001 0.000 2.409 1287 V HA 0.788 4.909 4.120 0.002 0.000 0.291 1287 V C 0.229 176.315 176.094 -0.012 0.000 1.020 1287 V CA -0.527 61.770 62.300 -0.004 0.000 0.848 1287 V CB 1.588 33.406 31.823 -0.009 0.000 0.990 1287 V HN 0.972 nan 8.190 nan 0.000 0.430 1288 A N 4.542 127.353 122.820 -0.016 0.000 2.342 1288 A HA 0.861 5.182 4.320 0.002 0.000 0.323 1288 A C -0.774 176.795 177.584 -0.024 0.000 1.125 1288 A CA -0.575 51.448 52.037 -0.024 0.000 0.785 1288 A CB 1.625 20.610 19.000 -0.024 0.000 1.221 1288 A HN 0.657 nan 8.150 nan 0.000 0.463 1289 V N 3.067 122.963 119.914 -0.030 0.000 2.370 1289 V HA 0.445 4.566 4.120 0.002 0.000 0.283 1289 V C 0.886 176.960 176.094 -0.032 0.000 1.023 1289 V CA -0.078 62.205 62.300 -0.028 0.000 0.857 1289 V CB 1.159 32.966 31.823 -0.026 0.000 0.985 1289 V HN 1.097 nan 8.190 nan 0.000 0.443 1290 T N 0.937 115.476 114.554 -0.026 0.000 2.788 1290 T HA 0.218 4.569 4.350 0.002 0.000 0.280 1290 T C 1.302 175.988 174.700 -0.024 0.000 0.984 1290 T CA 0.058 62.143 62.100 -0.025 0.000 0.972 1290 T CB 0.839 69.695 68.868 -0.019 0.000 1.039 1290 T HN 0.826 nan 8.240 nan 0.000 0.530 1291 E N 0.793 120.980 120.200 -0.022 0.000 2.147 1291 E HA -0.268 4.083 4.350 0.002 0.000 0.199 1291 E C 0.650 177.243 176.600 -0.012 0.000 1.005 1291 E CA 1.904 58.294 56.400 -0.017 0.000 0.810 1291 E CB -0.643 29.049 29.700 -0.014 0.000 0.736 1291 E HN 0.872 nan 8.360 nan 0.000 0.460 1292 D N 0.601 120.994 120.400 -0.012 0.000 2.460 1292 D HA 0.143 4.784 4.640 0.002 0.000 0.229 1292 D C 0.557 176.851 176.300 -0.010 0.000 1.170 1292 D CA -0.248 53.746 54.000 -0.010 0.000 0.827 1292 D CB -0.116 40.678 40.800 -0.009 0.000 0.973 1292 D HN 0.346 nan 8.370 nan 0.000 0.496 1293 L N -1.838 119.378 121.223 -0.012 0.000 4.696 1293 L HA -0.240 4.101 4.340 0.002 0.000 0.425 1293 L C -0.006 176.856 176.870 -0.013 0.000 1.115 1293 L CA 0.486 55.319 54.840 -0.012 0.000 0.996 1293 L CB -1.761 40.292 42.059 -0.009 0.000 2.077 1293 L HN 0.228 nan 8.230 nan 0.000 0.792 1294 D N 0.696 121.088 120.400 -0.014 0.000 2.372 1294 D HA 0.506 5.147 4.640 0.002 0.000 0.243 1294 D C -0.019 176.271 176.300 -0.016 0.000 1.121 1294 D CA -0.027 53.965 54.000 -0.014 0.000 0.898 1294 D CB 0.843 41.635 40.800 -0.013 0.000 1.202 1294 D HN 0.085 nan 8.370 nan 0.000 0.428 1295 I N 2.866 123.425 120.570 -0.017 0.000 2.321 1295 I HA 0.199 4.370 4.170 0.002 0.000 0.291 1295 I C -0.315 175.791 176.117 -0.018 0.000 0.998 1295 I CA -0.748 60.540 61.300 -0.019 0.000 1.227 1295 I CB 1.520 39.507 38.000 -0.022 0.000 1.368 1295 I HN 0.141 nan 8.210 nan 0.000 0.466 1296 V N 3.519 123.424 119.914 -0.016 0.000 2.487 1296 V HA 0.936 5.057 4.120 0.002 0.000 0.298 1296 V C -0.234 175.855 176.094 -0.008 0.000 1.028 1296 V CA -0.338 61.954 62.300 -0.013 0.000 0.860 1296 V CB 1.514 33.331 31.823 -0.011 0.000 0.991 1296 V HN 0.758 nan 8.190 nan 0.000 0.427 1297 S N 5.044 120.742 115.700 -0.003 0.000 2.568 1297 S HA 0.883 5.354 4.470 0.002 0.000 0.293 1297 S C -0.787 173.835 174.600 0.038 0.000 1.089 1297 S CA -1.067 57.142 58.200 0.016 0.000 0.945 1297 S CB 2.477 65.681 63.200 0.007 0.000 1.077 1297 S HN 0.911 nan 8.310 nan 0.000 0.485 1298 R N 0.475 121.009 120.500 0.057 0.000 2.621 1298 R HA 0.780 5.122 4.340 0.002 0.000 0.284 1298 R C -0.119 176.215 176.300 0.058 0.000 0.998 1298 R CA -0.453 55.678 56.100 0.052 0.000 0.895 1298 R CB 1.804 32.112 30.300 0.015 0.000 1.195 1298 R HN 1.038 nan 8.270 nan 0.000 0.450 1299 G N 0.632 109.443 108.800 0.018 0.000 2.766 1299 G HA2 0.736 4.697 3.960 0.002 0.000 0.288 1299 G HA3 0.736 4.697 3.960 0.002 0.000 0.288 1299 G C -1.435 173.291 174.900 -0.290 0.000 1.408 1299 G CA -0.590 44.344 45.100 -0.276 0.000 0.852 1299 G HN 0.374 nan 8.290 nan 0.000 0.487 1300 R N -0.791 119.466 120.500 -0.406 0.000 2.604 1300 R HA 0.582 4.923 4.340 0.002 0.000 0.270 1300 R C -1.463 174.621 176.300 -0.359 0.000 1.052 1300 R CA -0.468 55.415 56.100 -0.362 0.000 0.902 1300 R CB 1.984 32.044 30.300 -0.399 0.000 1.233 1300 R HN 0.552 nan 8.270 nan 0.000 0.455 1301 T N 4.140 118.485 114.554 -0.349 0.000 2.779 1301 T HA 0.469 4.820 4.350 0.002 0.000 0.280 1301 T C -0.821 173.676 174.700 -0.339 0.000 0.987 1301 T CA -0.236 61.740 62.100 -0.207 0.000 0.966 1301 T CB 0.334 69.141 68.868 -0.102 0.000 0.933 1301 T HN 0.237 nan 8.240 nan 0.000 0.442 1302 F N 3.774 123.664 119.950 -0.101 0.000 2.399 1302 F HA 0.384 4.912 4.527 0.002 0.000 0.328 1302 F C -1.061 174.604 175.800 -0.226 0.000 1.084 1302 F CA -2.370 55.493 58.000 -0.228 0.000 1.053 1302 F CB 1.078 39.870 39.000 -0.346 0.000 1.209 1302 F HN 0.357 nan 8.300 nan 0.000 0.502 1303 P HA -0.053 nan 4.420 nan 0.000 0.241 1303 P C -0.490 176.835 177.300 0.042 0.000 1.191 1303 P CA 1.174 64.258 63.100 -0.026 0.000 0.771 1303 P CB -0.114 31.592 31.700 0.010 0.000 0.929 1304 H N -3.004 116.171 119.070 0.174 0.000 2.931 1304 H HA 0.596 5.153 4.556 0.002 0.000 0.331 1304 H C -0.124 175.271 175.328 0.111 0.000 1.273 1304 H CA -1.153 54.964 56.048 0.114 0.000 1.171 1304 H CB 0.664 30.473 29.762 0.077 0.000 1.898 1304 H HN -0.163 nan 8.280 nan 0.000 0.562 1305 G N 0.241 109.223 108.800 0.303 0.000 2.594 1305 G HA2 0.390 4.351 3.960 0.002 0.000 0.243 1305 G HA3 0.390 4.351 3.960 0.002 0.000 0.243 1305 G C -0.312 174.701 174.900 0.188 0.000 1.229 1305 G CA -0.634 44.589 45.100 0.204 0.000 0.843 1305 G HN 0.500 nan 8.290 nan 0.000 0.578 1306 I N 1.512 122.160 120.570 0.130 0.000 2.330 1306 I HA 0.193 4.364 4.170 0.002 0.000 0.289 1306 I C 0.801 176.992 176.117 0.124 0.000 1.001 1306 I CA -0.522 60.818 61.300 0.067 0.000 1.193 1306 I CB 1.553 39.640 38.000 0.144 0.000 1.345 1306 I HN 0.544 nan 8.210 nan 0.000 0.461 1307 S N 4.516 120.236 115.700 0.035 0.000 2.593 1307 S HA 0.164 4.635 4.470 0.002 0.000 0.269 1307 S C 1.079 175.639 174.600 -0.068 0.000 1.334 1307 S CA -0.587 57.614 58.200 0.001 0.000 1.015 1307 S CB 1.533 64.694 63.200 -0.064 0.000 0.912 1307 S HN 0.731 nan 8.310 nan 0.000 0.541 1308 K N 1.061 121.262 120.400 -0.331 0.000 2.063 1308 K HA -0.193 4.128 4.320 0.002 0.000 0.208 1308 K C 1.811 178.276 176.600 -0.225 0.000 1.048 1308 K CA 2.060 57.948 56.287 -0.666 0.000 0.928 1308 K CB -0.401 31.634 32.500 -0.776 0.000 0.713 1308 K HN 0.765 nan 8.250 nan 0.000 0.442 1309 E N -0.404 119.666 120.200 -0.216 0.000 2.085 1309 E HA -0.166 4.185 4.350 0.002 0.000 0.194 1309 E C 1.975 178.563 176.600 -0.021 0.000 0.994 1309 E CA 1.980 58.279 56.400 -0.168 0.000 0.801 1309 E CB -0.427 29.171 29.700 -0.171 0.000 0.743 1309 E HN 0.306 nan 8.360 nan 0.000 0.453 1310 T N 0.600 115.144 114.554 -0.017 0.000 2.708 1310 T HA -0.184 4.167 4.350 0.002 0.000 0.266 1310 T C 2.004 176.783 174.700 0.132 0.000 1.037 1310 T CA 1.411 63.521 62.100 0.016 0.000 1.146 1310 T CB -0.498 68.309 68.868 -0.102 0.000 0.865 1310 T HN 0.322 nan 8.240 nan 0.000 0.435 1311 A N 0.399 123.343 122.820 0.207 0.000 1.917 1311 A HA -0.165 4.156 4.320 0.002 0.000 0.219 1311 A C 2.038 179.827 177.584 0.342 0.000 1.182 1311 A CA 1.674 53.934 52.037 0.373 0.000 0.633 1311 A CB -1.211 18.135 19.000 0.576 0.000 0.819 1311 A HN 0.612 nan 8.150 nan 0.000 0.448 1312 Y N 0.877 121.251 120.300 0.124 0.000 2.053 1312 Y HA -0.292 4.259 4.550 0.002 0.000 0.277 1312 Y C 3.303 179.321 175.900 0.197 0.000 1.159 1312 Y CA 2.277 60.464 58.100 0.145 0.000 1.125 1312 Y CB -0.185 38.233 38.460 -0.070 0.000 0.969 1312 Y HN 0.527 nan 8.280 nan 0.000 0.492 1313 S N -0.704 115.170 115.700 0.290 0.000 2.387 1313 S HA -0.171 4.300 4.470 0.002 0.000 0.226 1313 S C 1.815 176.531 174.600 0.194 0.000 1.026 1313 S CA 1.261 59.590 58.200 0.214 0.000 0.972 1313 S CB -0.287 63.002 63.200 0.148 0.000 0.814 1313 S HN 0.404 nan 8.310 nan 0.000 0.477 1314 E N 2.351 122.676 120.200 0.208 0.000 2.106 1314 E HA -0.087 4.265 4.350 0.002 0.000 0.192 1314 E C 2.170 178.871 176.600 0.169 0.000 0.984 1314 E CA 1.474 58.003 56.400 0.215 0.000 0.806 1314 E CB -0.477 29.410 29.700 0.311 0.000 0.750 1314 E HN 0.749 nan 8.360 nan 0.000 0.458 1315 S N -0.888 114.916 115.700 0.172 0.000 2.402 1315 S HA -0.108 4.363 4.470 0.002 0.000 0.229 1315 S C 2.111 176.760 174.600 0.082 0.000 1.021 1315 S CA 1.068 59.334 58.200 0.111 0.000 0.974 1315 S CB -0.557 62.708 63.200 0.109 0.000 0.800 1315 S HN 0.117 nan 8.310 nan 0.000 0.484 1316 V N 2.213 122.199 119.914 0.122 0.000 2.343 1316 V HA -0.168 3.953 4.120 0.002 0.000 0.247 1316 V C 2.682 178.817 176.094 0.068 0.000 1.051 1316 V CA 2.092 64.447 62.300 0.091 0.000 1.036 1316 V CB -0.766 31.149 31.823 0.153 0.000 0.654 1316 V HN 0.464 nan 8.190 nan 0.000 0.451 1317 K N -0.045 120.406 120.400 0.084 0.000 2.020 1317 K HA -0.170 4.151 4.320 0.002 0.000 0.212 1317 K C 2.040 178.664 176.600 0.041 0.000 1.050 1317 K CA 1.635 57.960 56.287 0.064 0.000 0.929 1317 K CB -0.396 32.150 32.500 0.077 0.000 0.714 1317 K HN 0.346 nan 8.250 nan 0.000 0.443 1318 L N 0.504 121.750 121.223 0.039 0.000 2.093 1318 L HA -0.166 4.175 4.340 0.002 0.000 0.208 1318 L C 2.345 179.221 176.870 0.010 0.000 1.085 1318 L CA 0.397 55.248 54.840 0.018 0.000 0.755 1318 L CB -0.423 41.642 42.059 0.011 0.000 0.904 1318 L HN 0.183 nan 8.230 nan 0.000 0.435 1319 L N -0.203 121.024 121.223 0.007 0.000 2.083 1319 L HA -0.211 4.130 4.340 0.002 0.000 0.209 1319 L C 2.500 179.369 176.870 -0.002 0.000 1.083 1319 L CA 1.735 56.570 54.840 -0.007 0.000 0.752 1319 L CB -0.578 41.465 42.059 -0.026 0.000 0.899 1319 L HN 0.249 nan 8.230 nan 0.000 0.433 1320 Q N -0.672 119.133 119.800 0.008 0.000 2.170 1320 Q HA -0.237 4.104 4.340 0.002 0.000 0.203 1320 Q C 2.228 178.233 176.000 0.008 0.000 0.976 1320 Q CA 1.606 57.416 55.803 0.011 0.000 0.858 1320 Q CB -0.154 28.596 28.738 0.021 0.000 0.907 1320 Q HN 0.499 nan 8.270 nan 0.000 0.433 1321 K N 0.635 121.040 120.400 0.009 0.000 2.155 1321 K HA -0.085 4.236 4.320 0.002 0.000 0.203 1321 K C 1.884 178.485 176.600 0.002 0.000 1.052 1321 K CA 0.688 56.978 56.287 0.005 0.000 0.948 1321 K CB 0.094 32.596 32.500 0.004 0.000 0.728 1321 K HN 0.163 nan 8.250 nan 0.000 0.448 1322 I N 0.690 121.260 120.570 -0.000 0.000 2.163 1322 I HA -0.277 3.894 4.170 0.002 0.000 0.240 1322 I C 1.908 178.022 176.117 -0.005 0.000 1.081 1322 I CA 0.633 61.931 61.300 -0.004 0.000 1.353 1322 I CB -0.165 37.831 38.000 -0.007 0.000 1.054 1322 I HN 0.115 nan 8.210 nan 0.000 0.407 1323 L N 0.566 121.786 121.223 -0.005 0.000 2.079 1323 L HA -0.210 4.131 4.340 0.002 0.000 0.210 1323 L C 2.378 179.247 176.870 -0.002 0.000 1.081 1323 L CA 1.797 56.634 54.840 -0.005 0.000 0.752 1323 L CB -1.023 41.034 42.059 -0.004 0.000 0.896 1323 L HN 0.293 nan 8.230 nan 0.000 0.433 1324 E N -1.022 119.178 120.200 0.000 0.000 2.299 1324 E HA -0.124 4.227 4.350 0.002 0.000 0.193 1324 E C 1.507 178.107 176.600 -0.000 0.000 0.998 1324 E CA 0.545 56.945 56.400 0.001 0.000 0.851 1324 E CB 0.223 29.926 29.700 0.004 0.000 0.795 1324 E HN 0.585 nan 8.360 nan 0.000 0.492 1325 E N 0.013 120.212 120.200 -0.001 0.000 2.473 1325 E HA 0.033 4.384 4.350 0.002 0.000 0.204 1325 E C 0.035 176.633 176.600 -0.004 0.000 0.994 1325 E CA -0.020 56.378 56.400 -0.002 0.000 0.945 1325 E CB 0.723 30.422 29.700 -0.002 0.000 0.990 1325 E HN -0.030 nan 8.360 nan 0.000 0.493 1326 D N 0.411 120.809 120.400 -0.005 0.000 2.629 1326 D HA 0.066 4.707 4.640 0.002 0.000 0.250 1326 D C -0.241 176.055 176.300 -0.006 0.000 1.126 1326 D CA -0.113 53.883 54.000 -0.006 0.000 0.852 1326 D CB 1.859 42.654 40.800 -0.008 0.000 1.335 1326 D HN -0.108 nan 8.370 nan 0.000 0.518 1327 E N 2.182 122.379 120.200 -0.006 0.000 2.442 1327 E HA 0.044 4.395 4.350 0.002 0.000 0.195 1327 E C 0.189 176.785 176.600 -0.007 0.000 1.030 1327 E CA 0.123 56.519 56.400 -0.006 0.000 0.869 1327 E CB 0.523 30.220 29.700 -0.004 0.000 0.857 1327 E HN 0.313 nan 8.360 nan 0.000 0.505 1328 R N 0.970 121.464 120.500 -0.009 0.000 2.641 1328 R HA 0.182 4.523 4.340 0.002 0.000 0.269 1328 R C -0.090 176.202 176.300 -0.014 0.000 1.074 1328 R CA -0.137 55.957 56.100 -0.011 0.000 1.133 1328 R CB 0.588 30.881 30.300 -0.012 0.000 1.029 1328 R HN -0.097 nan 8.270 nan 0.000 0.488 1329 K N 1.444 121.835 120.400 -0.015 0.000 2.355 1329 K HA 0.147 4.468 4.320 0.002 0.000 0.270 1329 K C -0.022 176.562 176.600 -0.028 0.000 1.003 1329 K CA 0.151 56.427 56.287 -0.019 0.000 0.957 1329 K CB 0.514 33.003 32.500 -0.018 0.000 0.939 1329 K HN 0.358 nan 8.250 nan 0.000 0.482 1330 I N 2.502 123.049 120.570 -0.038 0.000 2.385 1330 I HA 0.189 4.360 4.170 0.002 0.000 0.294 1330 I C 1.384 177.458 176.117 -0.072 0.000 0.988 1330 I CA -0.245 61.025 61.300 -0.051 0.000 1.265 1330 I CB 1.579 39.547 38.000 -0.053 0.000 1.388 1330 I HN 0.679 nan 8.210 nan 0.000 0.480 1331 R N 4.905 125.362 120.500 -0.071 0.000 2.142 1331 R HA 0.280 4.621 4.340 0.002 0.000 0.204 1331 R C 0.201 176.427 176.300 -0.123 0.000 1.059 1331 R CA 0.343 56.391 56.100 -0.087 0.000 1.055 1331 R CB 0.564 30.831 30.300 -0.054 0.000 0.976 1331 R HN 0.555 nan 8.270 nan 0.000 0.483 1332 R N 0.171 120.614 120.500 -0.096 0.000 2.686 1332 R HA 0.411 4.752 4.340 0.002 0.000 0.286 1332 R C -1.522 174.733 176.300 -0.075 0.000 0.969 1332 R CA -0.820 55.223 56.100 -0.095 0.000 0.898 1332 R CB 2.314 32.581 30.300 -0.054 0.000 1.183 1332 R HN 0.024 nan 8.270 nan 0.000 0.456 1333 I N 0.480 121.008 120.570 -0.071 0.000 2.730 1333 I HA 0.787 4.958 4.170 0.002 0.000 0.298 1333 I C -0.440 175.675 176.117 -0.003 0.000 1.089 1333 I CA -0.094 61.182 61.300 -0.040 0.000 1.041 1333 I CB 2.342 40.313 38.000 -0.048 0.000 1.235 1333 I HN 0.769 nan 8.210 nan 0.000 0.423 1334 G N 4.194 112.995 108.800 0.002 0.000 2.428 1334 G HA2 0.554 4.515 3.960 0.002 0.000 0.304 1334 G HA3 0.554 4.515 3.960 0.002 0.000 0.304 1334 G C -2.236 172.669 174.900 0.008 0.000 1.303 1334 G CA -0.153 44.962 45.100 0.025 0.000 0.825 1334 G HN 0.868 nan 8.290 nan 0.000 0.484 1335 V N -0.486 119.436 119.914 0.014 0.000 3.012 1335 V HA 0.902 5.023 4.120 0.002 0.000 0.307 1335 V C -1.111 174.931 176.094 -0.087 0.000 1.166 1335 V CA -0.854 61.403 62.300 -0.071 0.000 0.974 1335 V CB 2.161 33.940 31.823 -0.073 0.000 1.040 1335 V HN 1.108 nan 8.190 nan 0.000 0.428 1336 R N 4.081 124.461 120.500 -0.200 0.000 2.575 1336 R HA 0.696 5.037 4.340 0.002 0.000 0.293 1336 R C -2.134 174.038 176.300 -0.213 0.000 0.983 1336 R CA -0.363 55.690 56.100 -0.078 0.000 0.887 1336 R CB 1.701 32.006 30.300 0.008 0.000 1.184 1336 R HN 0.571 nan 8.270 nan 0.000 0.445 1337 F N 2.368 122.446 119.950 0.213 0.000 2.495 1337 F HA 0.561 5.089 4.527 0.002 0.000 0.327 1337 F C 0.291 176.254 175.800 0.272 0.000 1.103 1337 F CA -0.222 57.933 58.000 0.259 0.000 0.949 1337 F CB 2.313 41.450 39.000 0.229 0.000 1.142 1337 F HN 0.680 nan 8.300 nan 0.000 0.457 1338 S N 0.587 116.453 115.700 0.278 0.000 2.794 1338 S HA 0.642 5.113 4.470 0.002 0.000 0.299 1338 S C -1.097 173.365 174.600 -0.231 0.000 1.179 1338 S CA -1.292 56.783 58.200 -0.209 0.000 0.838 1338 S CB 1.681 64.818 63.200 -0.105 0.000 1.206 1338 S HN 0.621 nan 8.310 nan 0.000 0.523 1339 K N 0.360 120.513 120.400 -0.412 0.000 3.939 1339 K HA -0.125 4.196 4.320 0.002 0.000 0.281 1339 K C -1.324 175.272 176.600 -0.007 0.000 0.981 1339 K CA 0.315 56.499 56.287 -0.172 0.000 0.833 1339 K CB -1.909 30.580 32.500 -0.018 0.000 1.501 1339 K HN 0.419 nan 8.250 nan 0.000 0.445 1340 F N 1.286 121.273 119.950 0.061 0.000 2.412 1340 F HA 0.319 4.847 4.527 0.002 0.000 0.348 1340 F C 1.706 177.529 175.800 0.038 0.000 1.102 1340 F CA -1.306 56.721 58.000 0.044 0.000 1.196 1340 F CB 0.268 39.282 39.000 0.024 0.000 1.144 1340 F HN 0.056 nan 8.300 nan 0.000 0.541 1341 I N 0.000 120.716 120.570 0.244 0.000 2.984 1341 I HA 0.000 4.171 4.170 0.002 0.000 0.288 1341 I CA 0.000 61.386 61.300 0.144 0.000 1.566 1341 I CB 0.000 38.063 38.000 0.105 0.000 1.214 1341 I HN 0.000 nan 8.210 nan 0.000 0.494