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 2asl_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 3.960 3.960 0.000 0.000 0.244 1001 G C 0.000 174.939 174.900 0.065 0.000 0.946 1001 G CA 0.000 45.123 45.100 0.038 0.000 0.502 1002 I N -0.185 120.433 120.570 0.081 0.000 2.646 1002 I HA 0.675 4.845 4.170 0.000 0.000 0.299 1002 I C -0.377 175.844 176.117 0.173 0.000 1.036 1002 I CA -1.131 60.259 61.300 0.151 0.000 1.074 1002 I CB 2.501 40.564 38.000 0.105 0.000 1.258 1002 I HN 0.309 nan 8.210 nan 0.000 0.430 1003 V N 6.130 126.179 119.914 0.224 0.000 2.638 1003 V HA 0.462 4.582 4.120 0.000 0.000 0.306 1003 V C -0.797 175.438 176.094 0.235 0.000 1.052 1003 V CA -0.623 61.813 62.300 0.226 0.000 0.885 1003 V CB 2.188 34.161 31.823 0.251 0.000 0.999 1003 V HN 0.485 nan 8.190 nan 0.000 0.424 1004 L N 5.183 126.535 121.223 0.215 0.000 2.345 1004 L HA 0.621 4.961 4.340 0.000 0.000 0.274 1004 L C -1.225 175.745 176.870 0.166 0.000 0.999 1004 L CA -0.448 54.492 54.840 0.165 0.000 0.849 1004 L CB 1.022 43.136 42.059 0.092 0.000 1.220 1004 L HN 0.679 nan 8.230 nan 0.000 0.422 1005 F N 5.860 125.804 119.950 -0.010 0.000 2.408 1005 F HA 0.643 5.170 4.527 0.000 0.000 0.344 1005 F C -0.937 174.755 175.800 -0.180 0.000 1.112 1005 F CA -0.511 57.383 58.000 -0.177 0.000 1.096 1005 F CB 1.354 40.208 39.000 -0.243 0.000 1.129 1005 F HN 0.070 nan 8.300 nan 0.000 0.486 1006 V N 6.127 125.508 119.914 -0.888 0.000 2.409 1006 V HA 0.283 4.403 4.120 0.000 0.000 0.291 1006 V C -0.785 174.648 176.094 -1.102 0.000 1.020 1006 V CA -0.797 61.081 62.300 -0.703 0.000 0.848 1006 V CB 1.388 33.026 31.823 -0.309 0.000 0.990 1006 V HN 0.743 nan 8.190 nan 0.000 0.430 1007 D N 4.170 124.105 120.400 -0.775 0.000 2.391 1007 D HA 0.376 5.017 4.640 0.000 0.000 0.245 1007 D C -1.127 175.032 176.300 -0.236 0.000 1.069 1007 D CA -0.451 53.167 54.000 -0.636 0.000 0.831 1007 D CB 1.585 42.209 40.800 -0.294 0.000 1.204 1007 D HN 0.209 nan 8.370 nan 0.000 0.503 1008 F N 2.234 122.000 119.950 -0.308 0.000 2.438 1008 F HA 0.199 4.726 4.527 0.000 0.000 0.356 1008 F C 1.013 176.746 175.800 -0.112 0.000 1.099 1008 F CA -1.000 56.865 58.000 -0.226 0.000 1.185 1008 F CB 0.132 38.907 39.000 -0.374 0.000 1.115 1008 F HN 0.088 nan 8.300 nan 0.000 0.526 1009 D N 3.214 123.661 120.400 0.077 0.000 2.424 1009 D HA -0.032 4.608 4.640 0.000 0.000 0.244 1009 D C 0.506 176.723 176.300 -0.138 0.000 1.134 1009 D CA 0.040 54.063 54.000 0.038 0.000 0.881 1009 D CB 0.147 40.980 40.800 0.054 0.000 1.191 1009 D HN 0.650 nan 8.370 nan 0.000 0.445 1010 Y N 0.149 120.498 120.300 0.080 0.000 2.952 1010 Y HA -0.340 4.210 4.550 0.000 0.000 0.219 1010 Y C 0.718 176.627 175.900 0.015 0.000 1.085 1010 Y CA -0.352 57.724 58.100 -0.041 0.000 0.872 1010 Y CB -2.271 36.089 38.460 -0.167 0.000 1.114 1010 Y HN 0.320 nan 8.280 nan 0.000 0.482 1011 F N 1.544 121.408 119.950 -0.143 0.000 2.063 1011 F HA -0.285 4.242 4.527 0.000 0.000 0.298 1011 F C 2.003 177.742 175.800 -0.101 0.000 1.109 1011 F CA 1.948 59.876 58.000 -0.120 0.000 1.212 1011 F CB -0.672 38.306 39.000 -0.037 0.000 0.973 1011 F HN 0.374 nan 8.300 nan 0.000 0.480 1012 Y N 0.351 120.390 120.300 -0.435 0.000 2.145 1012 Y HA -0.105 4.445 4.550 0.000 0.000 0.286 1012 Y C 2.726 178.294 175.900 -0.554 0.000 1.145 1012 Y CA 0.773 58.307 58.100 -0.943 0.000 1.148 1012 Y CB -1.807 36.207 38.460 -0.744 0.000 0.981 1012 Y HN 0.162 nan 8.280 nan 0.000 0.507 1013 A N -0.297 122.528 122.820 0.008 0.000 1.933 1013 A HA -0.255 4.065 4.320 0.000 0.000 0.218 1013 A C 2.280 179.960 177.584 0.160 0.000 1.175 1013 A CA 1.740 53.851 52.037 0.124 0.000 0.628 1013 A CB -0.828 18.290 19.000 0.196 0.000 0.814 1013 A HN 0.537 nan 8.150 nan 0.000 0.444 1014 Q N -0.426 119.418 119.800 0.074 0.000 2.124 1014 Q HA -0.113 4.227 4.340 0.000 0.000 0.202 1014 Q C 1.847 177.795 176.000 -0.086 0.000 0.977 1014 Q CA 1.707 57.464 55.803 -0.077 0.000 0.850 1014 Q CB -0.130 28.379 28.738 -0.382 0.000 0.901 1014 Q HN 0.447 nan 8.270 nan 0.000 0.429 1015 V N 1.100 120.897 119.914 -0.196 0.000 2.667 1015 V HA -0.164 3.956 4.120 0.000 0.000 0.252 1015 V C 1.998 178.089 176.094 -0.004 0.000 1.065 1015 V CA 1.389 63.608 62.300 -0.135 0.000 1.083 1015 V CB -0.341 31.344 31.823 -0.230 0.000 0.692 1015 V HN 0.323 nan 8.190 nan 0.000 0.468 1016 E N 0.260 120.471 120.200 0.019 0.000 2.150 1016 E HA -0.208 4.142 4.350 0.000 0.000 0.193 1016 E C 2.153 178.784 176.600 0.053 0.000 0.985 1016 E CA 1.046 57.487 56.400 0.068 0.000 0.814 1016 E CB -0.061 29.688 29.700 0.081 0.000 0.752 1016 E HN 0.699 nan 8.360 nan 0.000 0.466 1017 E N 0.313 120.546 120.200 0.054 0.000 2.072 1017 E HA -0.098 4.252 4.350 0.000 0.000 0.191 1017 E C 2.222 178.845 176.600 0.038 0.000 0.985 1017 E CA 0.800 57.234 56.400 0.058 0.000 0.801 1017 E CB 0.118 29.874 29.700 0.093 0.000 0.750 1017 E HN 0.005 nan 8.360 nan 0.000 0.452 1018 V N 1.072 121.000 119.914 0.023 0.000 2.343 1018 V HA -0.245 3.875 4.120 0.000 0.000 0.247 1018 V C 2.131 178.236 176.094 0.019 0.000 1.051 1018 V CA 1.360 63.669 62.300 0.014 0.000 1.036 1018 V CB -0.287 31.537 31.823 0.001 0.000 0.654 1018 V HN 0.206 nan 8.190 nan 0.000 0.451 1019 L N 0.005 121.243 121.223 0.024 0.000 2.217 1019 L HA 0.091 4.431 4.340 0.000 0.000 0.211 1019 L C 1.109 177.994 176.870 0.025 0.000 1.107 1019 L CA 1.362 56.217 54.840 0.025 0.000 0.783 1019 L CB -0.341 41.737 42.059 0.031 0.000 0.919 1019 L HN 0.414 nan 8.230 nan 0.000 0.442 1020 N N -1.267 117.450 118.700 0.030 0.000 2.725 1020 N HA 0.197 4.937 4.740 0.000 0.000 0.248 1020 N C -2.229 173.299 175.510 0.030 0.000 1.402 1020 N CA -1.575 51.491 53.050 0.028 0.000 0.766 1020 N CB 1.019 39.525 38.487 0.030 0.000 1.223 1020 N HN -0.206 nan 8.380 nan 0.000 0.515 1021 P HA -0.146 nan 4.420 nan 0.000 0.222 1021 P C 1.254 178.572 177.300 0.029 0.000 1.142 1021 P CA 1.165 64.283 63.100 0.030 0.000 0.788 1021 P CB 0.210 31.924 31.700 0.024 0.000 0.767 1022 S N -1.336 114.379 115.700 0.025 0.000 2.442 1022 S HA -0.124 4.346 4.470 0.000 0.000 0.236 1022 S C 1.766 176.380 174.600 0.024 0.000 1.007 1022 S CA 0.841 59.055 58.200 0.023 0.000 0.965 1022 S CB -1.301 61.910 63.200 0.019 0.000 0.773 1022 S HN -0.050 nan 8.310 nan 0.000 0.504 1023 L N 1.216 122.455 121.223 0.027 0.000 2.127 1023 L HA 0.194 4.534 4.340 0.000 0.000 0.211 1023 L C 1.288 178.177 176.870 0.031 0.000 1.089 1023 L CA 1.143 55.998 54.840 0.026 0.000 0.757 1023 L CB -1.497 40.582 42.059 0.033 0.000 0.899 1023 L HN 0.306 nan 8.230 nan 0.000 0.434 1024 K N 0.163 120.588 120.400 0.042 0.000 2.504 1024 K HA 0.219 4.539 4.320 0.000 0.000 0.278 1024 K C 1.204 177.829 176.600 0.041 0.000 1.025 1024 K CA 1.073 57.391 56.287 0.052 0.000 1.093 1024 K CB -0.284 32.246 32.500 0.050 0.000 0.873 1024 K HN 0.369 nan 8.250 nan 0.000 0.483 1025 G N 2.998 111.824 108.800 0.044 0.000 2.175 1025 G HA2 -0.251 3.709 3.960 0.000 0.000 0.244 1025 G HA3 -0.251 3.709 3.960 0.000 0.000 0.244 1025 G C -0.331 174.585 174.900 0.026 0.000 0.982 1025 G CA 0.278 45.400 45.100 0.037 0.000 0.641 1025 G HN 0.535 nan 8.290 nan 0.000 0.527 1026 K N 1.095 121.502 120.400 0.011 0.000 2.156 1026 K HA 0.513 4.833 4.320 0.000 0.000 0.250 1026 K C -2.746 173.832 176.600 -0.036 0.000 0.955 1026 K CA -1.952 54.330 56.287 -0.008 0.000 0.855 1026 K CB 2.383 34.874 32.500 -0.016 0.000 1.101 1026 K HN 0.042 nan 8.250 nan 0.000 0.434 1027 P HA 0.108 nan 4.420 nan 0.000 0.276 1027 P C -0.682 176.520 177.300 -0.164 0.000 1.243 1027 P CA -0.235 62.804 63.100 -0.101 0.000 0.768 1027 P CB 0.688 32.328 31.700 -0.100 0.000 0.856 1028 V N 4.866 124.670 119.914 -0.183 0.000 2.588 1028 V HA 0.328 4.448 4.120 0.000 0.000 0.304 1028 V C 0.010 175.984 176.094 -0.200 0.000 1.042 1028 V CA -0.706 61.489 62.300 -0.175 0.000 0.877 1028 V CB 2.467 34.237 31.823 -0.089 0.000 0.996 1028 V HN 0.241 nan 8.190 nan 0.000 0.425 1029 V N 5.296 125.066 119.914 -0.240 0.000 2.380 1029 V HA 0.387 4.507 4.120 0.000 0.000 0.286 1029 V C -0.166 175.903 176.094 -0.040 0.000 1.015 1029 V CA -0.632 61.553 62.300 -0.192 0.000 0.834 1029 V CB 1.728 33.315 31.823 -0.393 0.000 1.009 1029 V HN 0.607 nan 8.190 nan 0.000 0.428 1030 V N 3.824 123.749 119.914 0.019 0.000 2.498 1030 V HA 0.409 4.529 4.120 0.000 0.000 0.279 1030 V C 0.186 176.318 176.094 0.063 0.000 1.048 1030 V CA -0.051 62.300 62.300 0.085 0.000 0.967 1030 V CB 1.187 33.086 31.823 0.126 0.000 0.988 1030 V HN 0.988 nan 8.190 nan 0.000 0.473 1031 C N 3.855 123.167 119.300 0.020 0.000 2.802 1031 C HA 0.645 5.105 4.460 0.000 0.000 0.307 1031 C C -0.101 174.775 174.990 -0.190 0.000 1.222 1031 C CA -0.832 58.081 59.018 -0.174 0.000 1.580 1031 C CB 1.994 29.422 27.740 -0.520 0.000 2.119 1031 C HN 0.608 nan 8.230 nan 0.000 0.479 1032 V N 2.425 122.213 119.914 -0.209 0.000 2.333 1032 V HA 0.375 4.496 4.120 0.000 0.000 0.274 1032 V C -0.704 175.280 176.094 -0.183 0.000 1.028 1032 V CA -0.041 62.202 62.300 -0.096 0.000 0.851 1032 V CB 0.087 31.902 31.823 -0.014 0.000 1.000 1032 V HN 0.649 nan 8.190 nan 0.000 0.456 1033 F N 3.034 123.018 119.950 0.057 0.000 2.410 1033 F HA 0.324 4.851 4.527 0.000 0.000 0.349 1033 F C 1.576 177.398 175.800 0.037 0.000 1.117 1033 F CA -0.211 57.817 58.000 0.048 0.000 1.104 1033 F CB 2.114 41.141 39.000 0.045 0.000 1.122 1033 F HN 0.584 nan 8.300 nan 0.000 0.483 1034 S N 1.167 116.988 115.700 0.201 0.000 2.425 1034 S HA 0.271 4.741 4.470 0.000 0.000 0.225 1034 S C 1.753 176.400 174.600 0.079 0.000 1.024 1034 S CA 0.571 58.835 58.200 0.106 0.000 0.951 1034 S CB -0.015 63.222 63.200 0.062 0.000 0.796 1034 S HN 1.162 nan 8.310 nan 0.000 0.498 1035 G N 1.878 110.733 108.800 0.090 0.000 2.345 1035 G HA2 -0.312 3.648 3.960 0.000 0.000 0.218 1035 G HA3 -0.312 3.648 3.960 0.000 0.000 0.218 1035 G C 1.045 175.902 174.900 -0.072 0.000 1.058 1035 G CA 0.253 45.367 45.100 0.023 0.000 0.632 1035 G HN 0.409 nan 8.290 nan 0.000 0.508 1036 R N -0.401 120.011 120.500 -0.146 0.000 2.165 1036 R HA -0.081 4.259 4.340 0.000 0.000 0.254 1036 R C 0.616 176.428 176.300 -0.813 0.000 1.153 1036 R CA 2.134 57.957 56.100 -0.461 0.000 0.971 1036 R CB -0.211 29.857 30.300 -0.386 0.000 0.878 1036 R HN 0.477 nan 8.270 nan 0.000 0.449 1037 F N -2.304 117.670 119.950 0.039 0.000 2.789 1037 F HA 0.231 4.758 4.527 0.000 0.000 0.319 1037 F C -0.380 175.439 175.800 0.032 0.000 1.168 1037 F CA -1.203 56.813 58.000 0.027 0.000 0.934 1037 F CB 0.982 39.995 39.000 0.021 0.000 1.375 1037 F HN -0.280 nan 8.300 nan 0.000 0.480 1038 E N 1.045 121.388 120.200 0.239 0.000 2.493 1038 E HA 0.045 4.395 4.350 0.000 0.000 0.255 1038 E C -0.700 175.995 176.600 0.158 0.000 0.999 1038 E CA 0.977 57.448 56.400 0.118 0.000 0.934 1038 E CB 0.071 29.809 29.700 0.063 0.000 0.940 1038 E HN 0.615 nan 8.360 nan 0.000 0.473 1039 D N 0.712 121.232 120.400 0.200 0.000 2.202 1039 D HA -0.192 4.448 4.640 0.000 0.000 0.165 1039 D C -0.086 176.382 176.300 0.280 0.000 1.170 1039 D CA 1.427 55.597 54.000 0.282 0.000 1.110 1039 D CB -1.458 39.396 40.800 0.091 0.000 1.160 1039 D HN 0.526 nan 8.370 nan 0.000 0.496 1040 S N 0.268 116.140 115.700 0.287 0.000 2.546 1040 S HA 0.459 4.929 4.470 0.000 0.000 0.290 1040 S C 0.816 175.511 174.600 0.160 0.000 1.290 1040 S CA 0.906 59.248 58.200 0.237 0.000 1.069 1040 S CB 1.716 65.118 63.200 0.337 0.000 0.846 1040 S HN 1.024 nan 8.310 nan 0.000 0.495 1041 G N 1.346 110.178 108.800 0.053 0.000 2.350 1041 G HA2 0.586 4.546 3.960 0.000 0.000 0.276 1041 G HA3 0.586 4.546 3.960 0.000 0.000 0.276 1041 G C -1.215 173.645 174.900 -0.068 0.000 1.313 1041 G CA -0.295 44.783 45.100 -0.037 0.000 0.903 1041 G HN 1.730 nan 8.290 nan 0.000 0.490 1042 A N -1.196 121.561 122.820 -0.106 0.000 2.515 1042 A HA 0.805 5.125 4.320 0.000 0.000 0.298 1042 A C -0.580 176.959 177.584 -0.075 0.000 1.059 1042 A CA -0.385 51.614 52.037 -0.063 0.000 0.698 1042 A CB 1.834 20.821 19.000 -0.022 0.000 1.289 1042 A HN 1.725 nan 8.150 nan 0.000 0.404 1043 V N 1.753 121.649 119.914 -0.030 0.000 2.488 1043 V HA 0.415 4.535 4.120 0.000 0.000 0.277 1043 V C 1.250 177.356 176.094 0.020 0.000 1.046 1043 V CA 0.778 63.075 62.300 -0.005 0.000 0.986 1043 V CB 0.839 32.671 31.823 0.016 0.000 0.989 1043 V HN 1.210 nan 8.190 nan 0.000 0.475 1044 A N 3.921 126.775 122.820 0.056 0.000 2.014 1044 A HA 0.429 4.749 4.320 0.000 0.000 0.210 1044 A C 0.966 178.608 177.584 0.098 0.000 1.188 1044 A CA 1.000 53.110 52.037 0.121 0.000 0.731 1044 A CB 0.441 19.581 19.000 0.234 0.000 0.858 1044 A HN 0.896 nan 8.150 nan 0.000 0.464 1045 T N -2.506 112.093 114.554 0.076 0.000 2.907 1045 T HA 0.551 4.901 4.350 0.000 0.000 0.344 1045 T C -1.647 173.037 174.700 -0.027 0.000 1.675 1045 T CA 0.196 62.295 62.100 -0.001 0.000 1.076 1045 T CB 0.830 69.661 68.868 -0.062 0.000 1.483 1045 T HN 1.289 nan 8.240 nan 0.000 0.487 1046 A N 2.995 125.756 122.820 -0.099 0.000 2.401 1046 A HA 0.831 5.151 4.320 0.000 0.000 0.310 1046 A C 0.046 177.424 177.584 -0.344 0.000 1.075 1046 A CA -0.869 51.064 52.037 -0.173 0.000 0.746 1046 A CB 1.292 20.195 19.000 -0.161 0.000 1.277 1046 A HN 1.133 nan 8.150 nan 0.000 0.425 1047 N N 0.049 118.454 118.700 -0.490 0.000 2.327 1047 N HA 0.137 4.877 4.740 0.000 0.000 0.257 1047 N C 0.311 175.305 175.510 -0.861 0.000 1.281 1047 N CA 0.053 52.414 53.050 -1.148 0.000 0.942 1047 N CB -0.187 37.602 38.487 -1.163 0.000 1.199 1047 N HN 0.580 nan 8.380 nan 0.000 0.532 1048 Y N -1.017 118.875 120.300 -0.681 0.000 2.352 1048 Y HA -0.080 4.470 4.550 0.000 0.000 0.292 1048 Y C 1.899 177.708 175.900 -0.151 0.000 1.136 1048 Y CA 1.195 59.136 58.100 -0.266 0.000 1.227 1048 Y CB -0.021 38.357 38.460 -0.136 0.000 0.991 1048 Y HN 0.528 nan 8.280 nan 0.000 0.545 1049 E N 0.060 120.232 120.200 -0.045 0.000 2.110 1049 E HA -0.199 4.151 4.350 0.000 0.000 0.193 1049 E C 2.299 178.970 176.600 0.118 0.000 0.988 1049 E CA 1.298 57.725 56.400 0.045 0.000 0.804 1049 E CB -0.473 29.241 29.700 0.024 0.000 0.745 1049 E HN 0.438 nan 8.360 nan 0.000 0.458 1050 A N 0.541 123.355 122.820 -0.010 0.000 1.898 1050 A HA -0.070 4.250 4.320 0.000 0.000 0.214 1050 A C 2.035 179.653 177.584 0.057 0.000 1.183 1050 A CA 1.052 53.100 52.037 0.019 0.000 0.622 1050 A CB -0.214 18.716 19.000 -0.117 0.000 0.824 1050 A HN 0.050 nan 8.150 nan 0.000 0.444 1051 R N -0.245 120.224 120.500 -0.052 0.000 2.148 1051 R HA -0.061 4.279 4.340 0.000 0.000 0.227 1051 R C 2.030 178.341 176.300 0.018 0.000 1.103 1051 R CA 1.288 57.364 56.100 -0.041 0.000 0.983 1051 R CB -0.213 30.002 30.300 -0.141 0.000 0.874 1051 R HN 0.473 nan 8.270 nan 0.000 0.451 1052 K N -0.188 120.220 120.400 0.014 0.000 2.103 1052 K HA -0.143 4.177 4.320 0.000 0.000 0.207 1052 K C 1.556 178.042 176.600 -0.190 0.000 1.048 1052 K CA 1.502 57.727 56.287 -0.103 0.000 0.930 1052 K CB -0.072 32.299 32.500 -0.214 0.000 0.716 1052 K HN 0.084 nan 8.250 nan 0.000 0.444 1053 F N -1.060 118.885 119.950 -0.009 0.000 2.512 1053 F HA 0.065 4.592 4.527 0.000 0.000 0.296 1053 F C 1.623 177.420 175.800 -0.004 0.000 1.110 1053 F CA 1.018 59.015 58.000 -0.006 0.000 1.446 1053 F CB 0.691 39.686 39.000 -0.009 0.000 1.092 1053 F HN 0.235 nan 8.300 nan 0.000 0.554 1054 G N -0.530 108.352 108.800 0.138 0.000 2.227 1054 G HA2 -0.187 3.773 3.960 0.000 0.000 0.168 1054 G HA3 -0.187 3.773 3.960 0.000 0.000 0.168 1054 G C -0.161 174.775 174.900 0.060 0.000 1.006 1054 G CA -0.233 44.912 45.100 0.076 0.000 0.684 1054 G HN 0.024 nan 8.290 nan 0.000 0.489 1055 V N 3.183 123.138 119.914 0.068 0.000 2.485 1055 V HA 0.474 4.594 4.120 0.000 0.000 0.287 1055 V C 0.681 176.774 176.094 -0.002 0.000 1.022 1055 V CA 1.011 63.332 62.300 0.035 0.000 1.067 1055 V CB 0.832 32.671 31.823 0.027 0.000 0.967 1055 V HN 0.651 nan 8.190 nan 0.000 0.479 1056 K N 4.133 124.532 120.400 -0.002 0.000 2.509 1056 K HA 0.856 5.176 4.320 0.000 0.000 0.266 1056 K C -0.547 176.046 176.600 -0.012 0.000 0.987 1056 K CA -0.896 55.379 56.287 -0.021 0.000 0.868 1056 K CB 2.151 34.641 32.500 -0.016 0.000 1.421 1056 K HN 0.541 nan 8.250 nan 0.000 0.444 1057 A N 0.209 123.018 122.820 -0.019 0.000 2.540 1057 A HA 0.431 4.751 4.320 0.000 0.000 0.239 1057 A C 1.180 178.765 177.584 0.001 0.000 1.061 1057 A CA 1.280 53.314 52.037 -0.005 0.000 0.758 1057 A CB -0.943 18.051 19.000 -0.009 0.000 0.991 1057 A HN 1.355 nan 8.150 nan 0.000 0.502 1058 G N 1.112 109.917 108.800 0.008 0.000 2.376 1058 G HA2 -0.189 3.772 3.960 0.000 0.000 0.208 1058 G HA3 -0.189 3.772 3.960 0.000 0.000 0.208 1058 G C 0.494 175.397 174.900 0.006 0.000 1.032 1058 G CA 0.061 45.166 45.100 0.007 0.000 0.641 1058 G HN 1.848 nan 8.290 nan 0.000 0.503 1059 I N 0.782 121.356 120.570 0.006 0.000 2.945 1059 I HA 0.668 4.838 4.170 0.000 0.000 0.292 1059 I C -2.336 173.782 176.117 0.003 0.000 1.093 1059 I CA -2.184 59.120 61.300 0.007 0.000 1.336 1059 I CB 1.036 39.044 38.000 0.013 0.000 1.435 1059 I HN -0.004 nan 8.210 nan 0.000 0.593 1060 P HA 0.303 nan 4.420 nan 0.000 0.275 1060 P C 0.606 177.898 177.300 -0.014 0.000 1.228 1060 P CA -0.213 62.882 63.100 -0.009 0.000 0.786 1060 P CB 0.945 32.642 31.700 -0.005 0.000 0.927 1061 I N 1.779 122.325 120.570 -0.040 0.000 2.194 1061 I HA -0.264 3.906 4.170 0.000 0.000 0.246 1061 I C 2.075 178.146 176.117 -0.077 0.000 1.093 1061 I CA 1.577 62.840 61.300 -0.062 0.000 1.355 1061 I CB -0.351 37.572 38.000 -0.128 0.000 1.046 1061 I HN 0.165 nan 8.210 nan 0.000 0.413 1062 V N 0.258 120.137 119.914 -0.058 0.000 2.490 1062 V HA -0.286 3.834 4.120 0.000 0.000 0.250 1062 V C 2.415 178.486 176.094 -0.039 0.000 1.061 1062 V CA 1.901 64.163 62.300 -0.063 0.000 1.064 1062 V CB -0.563 31.231 31.823 -0.049 0.000 0.670 1062 V HN 0.459 nan 8.190 nan 0.000 0.461 1063 E N 0.041 120.232 120.200 -0.016 0.000 2.072 1063 E HA -0.197 4.153 4.350 0.000 0.000 0.191 1063 E C 2.312 178.928 176.600 0.025 0.000 0.985 1063 E CA 1.218 57.620 56.400 0.003 0.000 0.801 1063 E CB -0.215 29.490 29.700 0.007 0.000 0.750 1063 E HN 0.578 nan 8.360 nan 0.000 0.452 1064 A N 1.284 124.134 122.820 0.050 0.000 1.933 1064 A HA -0.203 4.117 4.320 0.000 0.000 0.218 1064 A C 1.949 179.621 177.584 0.146 0.000 1.175 1064 A CA 1.391 53.502 52.037 0.123 0.000 0.628 1064 A CB -0.296 18.841 19.000 0.230 0.000 0.814 1064 A HN 0.097 nan 8.150 nan 0.000 0.444 1065 K N -0.309 120.113 120.400 0.038 0.000 2.211 1065 K HA -0.082 4.239 4.320 0.000 0.000 0.203 1065 K C 1.882 178.483 176.600 0.002 0.000 1.050 1065 K CA 1.271 57.547 56.287 -0.019 0.000 0.945 1065 K CB -0.118 32.275 32.500 -0.178 0.000 0.732 1065 K HN 0.448 nan 8.250 nan 0.000 0.451 1066 K N 0.602 121.001 120.400 -0.001 0.000 2.148 1066 K HA -0.045 4.275 4.320 0.000 0.000 0.204 1066 K C 2.016 178.619 176.600 0.006 0.000 1.050 1066 K CA 0.988 57.274 56.287 -0.002 0.000 0.942 1066 K CB 0.017 32.515 32.500 -0.002 0.000 0.724 1066 K HN 0.088 nan 8.250 nan 0.000 0.446 1067 I N 0.235 120.817 120.570 0.020 0.000 2.339 1067 I HA -0.122 4.048 4.170 0.000 0.000 0.245 1067 I C 0.721 176.803 176.117 -0.057 0.000 1.096 1067 I CA 0.826 62.133 61.300 0.012 0.000 1.408 1067 I CB 0.274 38.304 38.000 0.049 0.000 1.092 1067 I HN -0.032 nan 8.210 nan 0.000 0.423 1068 L N 1.451 122.657 121.223 -0.029 0.000 2.457 1068 L HA 0.271 4.611 4.340 0.000 0.000 0.252 1068 L C -1.831 175.079 176.870 0.066 0.000 1.132 1068 L CA -1.325 53.464 54.840 -0.085 0.000 0.938 1068 L CB 1.137 43.109 42.059 -0.144 0.000 1.246 1068 L HN -0.118 nan 8.230 nan 0.000 0.476 1069 P HA -0.119 nan 4.420 nan 0.000 0.216 1069 P C 0.672 178.033 177.300 0.101 0.000 1.150 1069 P CA 1.282 64.411 63.100 0.049 0.000 0.843 1069 P CB 0.238 31.938 31.700 -0.000 0.000 0.787 1070 N N -1.199 117.531 118.700 0.052 0.000 2.328 1070 N HA 0.237 4.977 4.740 0.000 0.000 0.247 1070 N C 0.102 175.627 175.510 0.025 0.000 1.165 1070 N CA -0.119 52.961 53.050 0.051 0.000 0.873 1070 N CB 0.327 38.818 38.487 0.006 0.000 1.125 1070 N HN 0.032 nan 8.380 nan 0.000 0.513 1071 A N 0.133 122.961 122.820 0.014 0.000 2.313 1071 A HA 0.391 4.711 4.320 0.000 0.000 0.261 1071 A C 0.400 177.895 177.584 -0.149 0.000 1.090 1071 A CA -0.228 51.716 52.037 -0.156 0.000 0.807 1071 A CB 0.600 19.382 19.000 -0.363 0.000 1.055 1071 A HN 0.008 nan 8.150 nan 0.000 0.492 1072 V N 1.372 121.169 119.914 -0.195 0.000 2.408 1072 V HA 0.182 4.302 4.120 0.000 0.000 0.267 1072 V C -1.025 174.955 176.094 -0.191 0.000 1.047 1072 V CA 0.186 62.436 62.300 -0.083 0.000 0.937 1072 V CB -0.480 31.322 31.823 -0.036 0.000 0.999 1072 V HN 0.627 nan 8.190 nan 0.000 0.472 1073 Y N 5.630 125.980 120.300 0.084 0.000 2.369 1073 Y HA 0.595 5.145 4.550 0.000 0.000 0.337 1073 Y C 0.110 176.136 175.900 0.210 0.000 0.961 1073 Y CA -0.433 57.752 58.100 0.142 0.000 1.186 1073 Y CB 1.120 39.697 38.460 0.195 0.000 1.139 1073 Y HN 0.461 nan 8.280 nan 0.000 0.494 1074 L N 6.556 127.950 121.223 0.285 0.000 2.331 1074 L HA 0.578 4.918 4.340 0.000 0.000 0.275 1074 L C -2.263 174.835 176.870 0.379 0.000 1.022 1074 L CA -2.325 52.680 54.840 0.275 0.000 0.812 1074 L CB 1.835 43.995 42.059 0.167 0.000 1.257 1074 L HN 0.365 nan 8.230 nan 0.000 0.435 1075 P HA 0.082 nan 4.420 nan 0.000 0.274 1075 P C -0.790 176.645 177.300 0.224 0.000 1.237 1075 P CA -0.525 62.832 63.100 0.429 0.000 0.793 1075 P CB 0.910 32.797 31.700 0.312 0.000 0.977 1076 M N 2.566 122.266 119.600 0.166 0.000 2.217 1076 M HA 0.120 4.600 4.480 0.000 0.000 0.354 1076 M C 0.492 176.764 176.300 -0.047 0.000 1.225 1076 M CA 0.308 55.665 55.300 0.096 0.000 1.137 1076 M CB 0.264 32.897 32.600 0.054 0.000 1.576 1076 M HN 0.211 nan 8.290 nan 0.000 0.461 1077 R N 3.858 124.181 120.500 -0.296 0.000 2.724 1077 R HA 0.136 4.476 4.340 0.000 0.000 0.284 1077 R C 0.281 175.934 176.300 -1.080 0.000 1.481 1077 R CA -0.280 55.475 56.100 -0.574 0.000 1.652 1077 R CB 0.641 30.635 30.300 -0.511 0.000 1.175 1077 R HN 0.702 nan 8.270 nan 0.000 0.613 1078 K N 1.517 121.589 120.400 -0.547 0.000 2.057 1078 K HA -0.178 4.142 4.320 0.000 0.000 0.206 1078 K C 0.998 177.448 176.600 -0.250 0.000 1.050 1078 K CA 1.829 57.903 56.287 -0.355 0.000 0.935 1078 K CB 0.404 32.850 32.500 -0.091 0.000 0.715 1078 K HN 0.259 nan 8.250 nan 0.000 0.439 1079 E N 0.158 120.244 120.200 -0.190 0.000 2.086 1079 E HA -0.231 4.119 4.350 0.000 0.000 0.200 1079 E C 1.925 178.446 176.600 -0.131 0.000 1.012 1079 E CA 1.801 58.140 56.400 -0.102 0.000 0.812 1079 E CB -0.747 28.910 29.700 -0.071 0.000 0.743 1079 E HN 0.094 nan 8.360 nan 0.000 0.453 1080 V N 0.394 120.137 119.914 -0.286 0.000 2.343 1080 V HA -0.263 3.857 4.120 0.000 0.000 0.247 1080 V C 1.978 178.014 176.094 -0.098 0.000 1.051 1080 V CA 1.905 64.066 62.300 -0.233 0.000 1.036 1080 V CB -0.717 30.911 31.823 -0.326 0.000 0.654 1080 V HN 0.248 nan 8.190 nan 0.000 0.451 1081 Y N 0.149 120.433 120.300 -0.025 0.000 2.314 1081 Y HA -0.140 4.410 4.550 0.000 0.000 0.293 1081 Y C 2.552 178.614 175.900 0.270 0.000 1.129 1081 Y CA 0.987 59.107 58.100 0.034 0.000 1.201 1081 Y CB -1.072 37.379 38.460 -0.017 0.000 0.999 1081 Y HN 0.264 nan 8.280 nan 0.000 0.541 1082 Q N 0.592 120.571 119.800 0.298 0.000 2.170 1082 Q HA -0.162 4.178 4.340 0.000 0.000 0.203 1082 Q C 1.914 178.035 176.000 0.201 0.000 0.976 1082 Q CA 1.661 57.618 55.803 0.256 0.000 0.858 1082 Q CB -0.212 28.615 28.738 0.149 0.000 0.907 1082 Q HN 0.476 nan 8.270 nan 0.000 0.433 1083 Q N -0.929 118.960 119.800 0.149 0.000 2.123 1083 Q HA -0.052 4.288 4.340 0.000 0.000 0.199 1083 Q C 2.098 178.184 176.000 0.143 0.000 0.966 1083 Q CA 1.432 57.303 55.803 0.113 0.000 0.845 1083 Q CB 0.138 28.916 28.738 0.066 0.000 0.907 1083 Q HN 0.314 nan 8.270 nan 0.000 0.439 1084 V N 0.484 120.524 119.914 0.209 0.000 2.307 1084 V HA -0.220 3.900 4.120 0.000 0.000 0.245 1084 V C 2.427 178.675 176.094 0.257 0.000 1.045 1084 V CA 1.859 64.295 62.300 0.227 0.000 1.024 1084 V CB -0.663 31.325 31.823 0.275 0.000 0.651 1084 V HN 0.318 nan 8.190 nan 0.000 0.449 1085 S N -0.297 115.655 115.700 0.421 0.000 2.374 1085 S HA -0.238 4.232 4.470 0.000 0.000 0.227 1085 S C 2.242 176.943 174.600 0.169 0.000 1.037 1085 S CA 2.237 60.612 58.200 0.291 0.000 1.024 1085 S CB -0.312 63.088 63.200 0.334 0.000 0.861 1085 S HN 0.604 nan 8.310 nan 0.000 0.456 1086 S N 0.863 116.651 115.700 0.147 0.000 2.383 1086 S HA 0.054 4.524 4.470 0.000 0.000 0.227 1086 S C 1.953 176.591 174.600 0.064 0.000 1.026 1086 S CA 0.613 58.869 58.200 0.093 0.000 0.981 1086 S CB -0.228 63.020 63.200 0.079 0.000 0.818 1086 S HN 0.493 nan 8.310 nan 0.000 0.472 1087 R N 0.601 121.136 120.500 0.058 0.000 2.081 1087 R HA -0.012 4.328 4.340 0.000 0.000 0.235 1087 R C 2.114 178.420 176.300 0.011 0.000 1.131 1087 R CA 1.300 57.418 56.100 0.030 0.000 0.960 1087 R CB -0.497 29.818 30.300 0.026 0.000 0.856 1087 R HN 0.424 nan 8.270 nan 0.000 0.436 1088 I N 0.320 120.883 120.570 -0.012 0.000 2.286 1088 I HA -0.233 3.937 4.170 0.000 0.000 0.245 1088 I C 2.203 178.340 176.117 0.034 0.000 1.104 1088 I CA 0.796 62.058 61.300 -0.063 0.000 1.397 1088 I CB -0.179 37.633 38.000 -0.313 0.000 1.072 1088 I HN 0.097 nan 8.210 nan 0.000 0.417 1089 M N 0.426 120.076 119.600 0.084 0.000 2.202 1089 M HA -0.189 4.291 4.480 0.000 0.000 0.262 1089 M C 1.803 178.140 176.300 0.061 0.000 1.063 1089 M CA 1.589 56.941 55.300 0.088 0.000 1.097 1089 M CB -1.545 31.102 32.600 0.078 0.000 1.382 1089 M HN 0.253 nan 8.290 nan 0.000 0.413 1090 N N 0.250 118.977 118.700 0.045 0.000 2.300 1090 N HA 0.044 4.784 4.740 0.000 0.000 0.179 1090 N C 1.859 177.386 175.510 0.028 0.000 1.016 1090 N CA 0.773 53.841 53.050 0.030 0.000 0.876 1090 N CB -0.226 38.272 38.487 0.019 0.000 0.979 1090 N HN 0.358 nan 8.380 nan 0.000 0.432 1091 L N 0.463 121.708 121.223 0.038 0.000 2.046 1091 L HA -0.084 4.256 4.340 0.000 0.000 0.208 1091 L C 2.043 179.001 176.870 0.146 0.000 1.077 1091 L CA 0.804 55.681 54.840 0.061 0.000 0.747 1091 L CB -0.421 41.680 42.059 0.071 0.000 0.896 1091 L HN 0.133 nan 8.230 nan 0.000 0.432 1092 L N -0.674 120.639 121.223 0.149 0.000 2.131 1092 L HA -0.197 4.143 4.340 0.000 0.000 0.210 1092 L C 2.675 179.641 176.870 0.160 0.000 1.092 1092 L CA 1.062 56.017 54.840 0.192 0.000 0.759 1092 L CB -0.448 41.678 42.059 0.111 0.000 0.903 1092 L HN 0.219 nan 8.230 nan 0.000 0.435 1093 R N -0.441 120.110 120.500 0.085 0.000 2.189 1093 R HA -0.104 4.236 4.340 0.000 0.000 0.218 1093 R C 2.101 178.408 176.300 0.010 0.000 1.074 1093 R CA 0.529 56.659 56.100 0.050 0.000 0.991 1093 R CB 0.082 30.400 30.300 0.030 0.000 0.883 1093 R HN 0.277 nan 8.270 nan 0.000 0.457 1094 E N -0.564 119.606 120.200 -0.050 0.000 2.216 1094 E HA -0.137 4.213 4.350 0.000 0.000 0.192 1094 E C 1.215 177.679 176.600 -0.226 0.000 0.988 1094 E CA 1.006 57.302 56.400 -0.174 0.000 0.834 1094 E CB 0.141 29.667 29.700 -0.290 0.000 0.772 1094 E HN 0.387 nan 8.360 nan 0.000 0.479 1095 Y N -0.054 120.252 120.300 0.009 0.000 2.337 1095 Y HA 0.034 4.584 4.550 0.000 0.000 0.293 1095 Y C 1.443 177.356 175.900 0.021 0.000 1.123 1095 Y CA 0.601 58.708 58.100 0.013 0.000 1.201 1095 Y CB 0.407 38.873 38.460 0.010 0.000 1.011 1095 Y HN -0.191 nan 8.280 nan 0.000 0.545 1096 S N -1.575 114.218 115.700 0.155 0.000 2.550 1096 S HA 0.338 4.808 4.470 0.000 0.000 0.270 1096 S C -0.009 174.633 174.600 0.071 0.000 1.145 1096 S CA -0.640 57.621 58.200 0.101 0.000 0.852 1096 S CB 1.393 64.660 63.200 0.110 0.000 1.119 1096 S HN 0.109 nan 8.310 nan 0.000 0.465 1097 E N 1.520 121.753 120.200 0.054 0.000 2.102 1097 E HA 0.179 4.529 4.350 0.000 0.000 0.190 1097 E C -0.171 176.458 176.600 0.049 0.000 0.971 1097 E CA 0.706 57.131 56.400 0.042 0.000 0.821 1097 E CB 0.126 29.844 29.700 0.030 0.000 0.777 1097 E HN 0.465 nan 8.360 nan 0.000 0.460 1098 K N 1.434 121.869 120.400 0.057 0.000 2.292 1098 K HA 0.293 4.613 4.320 0.000 0.000 0.290 1098 K C -0.544 176.106 176.600 0.083 0.000 1.083 1098 K CA 0.063 56.387 56.287 0.062 0.000 0.918 1098 K CB 0.684 33.219 32.500 0.059 0.000 1.089 1098 K HN 0.117 nan 8.250 nan 0.000 0.473 1099 I N 1.336 121.956 120.570 0.082 0.000 2.607 1099 I HA 0.149 4.319 4.170 0.000 0.000 0.290 1099 I C -1.432 174.749 176.117 0.107 0.000 1.129 1099 I CA -0.603 60.758 61.300 0.101 0.000 1.042 1099 I CB 2.125 40.175 38.000 0.083 0.000 1.242 1099 I HN 0.567 nan 8.210 nan 0.000 0.421 1100 E N 8.175 128.470 120.200 0.158 0.000 2.102 1100 E HA 0.319 4.670 4.350 0.000 0.000 0.263 1100 E C -0.966 175.741 176.600 0.180 0.000 0.894 1100 E CA -0.786 55.718 56.400 0.173 0.000 0.746 1100 E CB 0.917 30.745 29.700 0.214 0.000 1.129 1100 E HN 0.479 nan 8.360 nan 0.000 0.416 1101 I N 4.779 125.410 120.570 0.102 0.000 2.372 1101 I HA 0.039 4.209 4.170 0.000 0.000 0.298 1101 I C 1.275 177.440 176.117 0.081 0.000 1.137 1101 I CA 0.253 61.585 61.300 0.054 0.000 1.314 1101 I CB -0.401 37.617 38.000 0.030 0.000 1.444 1101 I HN 0.632 nan 8.210 nan 0.000 0.541 1102 A N 5.431 128.322 122.820 0.118 0.000 1.969 1102 A HA 0.035 4.355 4.320 0.000 0.000 0.218 1102 A C 1.179 178.804 177.584 0.069 0.000 1.169 1102 A CA 1.462 53.597 52.037 0.164 0.000 0.635 1102 A CB 0.043 19.235 19.000 0.321 0.000 0.810 1102 A HN 0.767 nan 8.150 nan 0.000 0.445 1103 S N -3.284 112.410 115.700 -0.009 0.000 2.683 1103 S HA 0.367 4.837 4.470 0.000 0.000 0.269 1103 S C 0.530 175.085 174.600 -0.074 0.000 1.165 1103 S CA 0.082 58.270 58.200 -0.020 0.000 0.840 1103 S CB -0.186 63.003 63.200 -0.019 0.000 1.169 1103 S HN 0.355 nan 8.310 nan 0.000 0.490 1104 I N 1.178 121.741 120.570 -0.012 0.000 2.567 1104 I HA -0.089 4.081 4.170 0.000 0.000 0.257 1104 I C 0.851 176.836 176.117 -0.220 0.000 1.184 1104 I CA 2.166 63.485 61.300 0.033 0.000 1.451 1104 I CB -0.191 37.968 38.000 0.265 0.000 1.089 1104 I HN 0.803 nan 8.210 nan 0.000 0.441 1105 D N -0.420 119.723 120.400 -0.429 0.000 2.501 1105 D HA 0.134 4.774 4.640 0.000 0.000 0.224 1105 D C -0.180 175.392 176.300 -1.212 0.000 1.202 1105 D CA -0.139 53.266 54.000 -0.991 0.000 0.829 1105 D CB 0.080 40.539 40.800 -0.567 0.000 1.023 1105 D HN 0.321 nan 8.370 nan 0.000 0.499 1106 E N -0.050 119.652 120.200 -0.830 0.000 2.278 1106 E HA 0.677 5.027 4.350 0.000 0.000 0.272 1106 E C -1.492 174.786 176.600 -0.537 0.000 0.890 1106 E CA -0.968 55.002 56.400 -0.717 0.000 0.770 1106 E CB 2.378 31.921 29.700 -0.261 0.000 1.212 1106 E HN 0.203 nan 8.360 nan 0.000 0.415 1107 A N 2.774 125.190 122.820 -0.674 0.000 2.422 1107 A HA 0.648 4.968 4.320 0.000 0.000 0.302 1107 A C -1.814 175.564 177.584 -0.343 0.000 1.041 1107 A CA -0.574 51.264 52.037 -0.332 0.000 0.708 1107 A CB 0.735 19.619 19.000 -0.193 0.000 1.257 1107 A HN 0.539 nan 8.150 nan 0.000 0.414 1108 Y N 0.931 121.291 120.300 0.100 0.000 2.342 1108 Y HA 0.585 5.135 4.550 0.000 0.000 0.334 1108 Y C -0.309 175.654 175.900 0.104 0.000 1.067 1108 Y CA -0.449 57.759 58.100 0.181 0.000 1.128 1108 Y CB 1.702 40.287 38.460 0.208 0.000 1.200 1108 Y HN 0.470 nan 8.280 nan 0.000 0.464 1109 L N 3.782 125.149 121.223 0.239 0.000 2.316 1109 L HA 0.266 4.606 4.340 0.000 0.000 0.280 1109 L C -0.460 176.512 176.870 0.170 0.000 1.006 1109 L CA -0.509 54.430 54.840 0.165 0.000 0.836 1109 L CB 1.046 43.172 42.059 0.111 0.000 1.221 1109 L HN 0.546 nan 8.230 nan 0.000 0.418 1110 D N 4.229 124.717 120.400 0.148 0.000 2.382 1110 D HA 0.101 4.742 4.640 0.000 0.000 0.259 1110 D C 0.462 176.825 176.300 0.104 0.000 1.224 1110 D CA 0.249 54.321 54.000 0.121 0.000 0.894 1110 D CB 0.760 41.615 40.800 0.093 0.000 1.127 1110 D HN 0.531 nan 8.370 nan 0.000 0.487 1111 I N 0.710 121.343 120.570 0.105 0.000 3.424 1111 I HA 0.207 4.377 4.170 0.000 0.000 0.339 1111 I C 0.897 177.057 176.117 0.071 0.000 1.549 1111 I CA -0.618 60.737 61.300 0.091 0.000 1.049 1111 I CB 0.539 38.599 38.000 0.100 0.000 1.439 1111 I HN -0.043 nan 8.210 nan 0.000 0.500 1112 S N 1.220 116.956 115.700 0.061 0.000 2.387 1112 S HA -0.058 4.412 4.470 0.000 0.000 0.226 1112 S C 0.918 175.535 174.600 0.028 0.000 1.026 1112 S CA 1.300 59.523 58.200 0.038 0.000 0.972 1112 S CB -0.163 63.057 63.200 0.034 0.000 0.814 1112 S HN 0.589 nan 8.310 nan 0.000 0.477 1113 D N 0.416 120.837 120.400 0.035 0.000 2.427 1113 D HA 0.187 4.827 4.640 0.000 0.000 0.224 1113 D C 0.952 177.274 176.300 0.036 0.000 1.157 1113 D CA 0.128 54.145 54.000 0.029 0.000 0.828 1113 D CB 0.346 41.163 40.800 0.027 0.000 0.974 1113 D HN 0.210 nan 8.370 nan 0.000 0.498 1114 K N -0.153 120.274 120.400 0.045 0.000 2.474 1114 K HA 0.169 4.489 4.320 0.000 0.000 0.202 1114 K C 0.765 177.395 176.600 0.050 0.000 1.248 1114 K CA 0.378 56.698 56.287 0.055 0.000 0.946 1114 K CB 1.945 34.491 32.500 0.077 0.000 1.102 1114 K HN 0.121 nan 8.250 nan 0.000 0.541 1115 V N -2.130 117.809 119.914 0.042 0.000 3.188 1115 V HA 0.495 4.615 4.120 0.000 0.000 0.305 1115 V C 0.236 176.335 176.094 0.008 0.000 1.232 1115 V CA -1.072 61.249 62.300 0.034 0.000 1.043 1115 V CB 2.457 34.311 31.823 0.051 0.000 1.068 1115 V HN -0.060 nan 8.190 nan 0.000 0.439 1116 R N 0.323 120.820 120.500 -0.005 0.000 2.335 1116 R HA 0.348 4.688 4.340 0.000 0.000 0.210 1116 R C -0.483 175.771 176.300 -0.077 0.000 0.892 1116 R CA 0.749 56.829 56.100 -0.033 0.000 1.048 1116 R CB 0.407 30.695 30.300 -0.020 0.000 1.067 1116 R HN 1.029 nan 8.270 nan 0.000 0.524 1117 D N -3.237 117.116 120.400 -0.077 0.000 2.825 1117 D HA 0.013 4.653 4.640 0.000 0.000 0.327 1117 D C -0.043 176.203 176.300 -0.090 0.000 1.277 1117 D CA -0.704 53.205 54.000 -0.152 0.000 0.950 1117 D CB -0.151 40.600 40.800 -0.081 0.000 1.438 1117 D HN -0.274 nan 8.370 nan 0.000 0.526 1118 Y N -0.621 119.701 120.300 0.036 0.000 2.519 1118 Y HA 0.279 4.829 4.550 0.000 0.000 0.287 1118 Y C 2.352 178.294 175.900 0.070 0.000 1.128 1118 Y CA 0.312 58.444 58.100 0.053 0.000 1.282 1118 Y CB -0.156 38.324 38.460 0.033 0.000 1.027 1118 Y HN 0.335 nan 8.280 nan 0.000 0.551 1119 R N 0.356 120.960 120.500 0.173 0.000 2.115 1119 R HA -0.120 4.220 4.340 0.000 0.000 0.226 1119 R C 1.568 177.967 176.300 0.166 0.000 1.100 1119 R CA 1.414 57.590 56.100 0.126 0.000 0.980 1119 R CB 0.097 30.434 30.300 0.062 0.000 0.875 1119 R HN 0.353 nan 8.270 nan 0.000 0.445 1120 E N -0.801 119.478 120.200 0.132 0.000 2.216 1120 E HA 0.032 4.383 4.350 0.000 0.000 0.192 1120 E C 1.720 178.394 176.600 0.123 0.000 0.973 1120 E CA 0.547 57.013 56.400 0.110 0.000 0.851 1120 E CB 0.241 29.982 29.700 0.068 0.000 0.804 1120 E HN 0.355 nan 8.360 nan 0.000 0.477 1121 A N 0.608 123.522 122.820 0.157 0.000 1.902 1121 A HA -0.227 4.093 4.320 0.000 0.000 0.217 1121 A C 1.977 179.656 177.584 0.158 0.000 1.181 1121 A CA 1.333 53.470 52.037 0.167 0.000 0.623 1121 A CB -0.691 18.463 19.000 0.256 0.000 0.818 1121 A HN 0.439 nan 8.150 nan 0.000 0.443 1122 Y N 0.947 121.293 120.300 0.076 0.000 2.163 1122 Y HA -0.182 4.368 4.550 0.000 0.000 0.288 1122 Y C 2.119 178.028 175.900 0.015 0.000 1.136 1122 Y CA 2.096 60.221 58.100 0.041 0.000 1.147 1122 Y CB -0.265 38.221 38.460 0.045 0.000 0.987 1122 Y HN 0.322 nan 8.280 nan 0.000 0.509 1123 N N 0.224 119.003 118.700 0.132 0.000 2.289 1123 N HA -0.142 4.598 4.740 0.000 0.000 0.184 1123 N C 1.608 177.085 175.510 -0.055 0.000 1.016 1123 N CA 1.070 54.136 53.050 0.027 0.000 0.872 1123 N CB -0.422 38.124 38.487 0.099 0.000 0.973 1123 N HN 0.401 nan 8.380 nan 0.000 0.433 1124 L N 0.078 121.276 121.223 -0.042 0.000 2.109 1124 L HA 0.164 4.504 4.340 0.000 0.000 0.207 1124 L C 1.960 178.701 176.870 -0.214 0.000 1.086 1124 L CA 1.342 56.124 54.840 -0.097 0.000 0.760 1124 L CB -1.064 40.975 42.059 -0.034 0.000 0.910 1124 L HN 0.126 nan 8.230 nan 0.000 0.437 1125 G N -0.439 108.243 108.800 -0.197 0.000 2.422 1125 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 1125 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 1125 G C 1.590 176.320 174.900 -0.283 0.000 1.146 1125 G CA 1.044 45.999 45.100 -0.242 0.000 0.769 1125 G HN 0.432 nan 8.290 nan 0.000 0.547 1126 L N -0.242 120.792 121.223 -0.315 0.000 2.141 1126 L HA 0.022 4.362 4.340 0.000 0.000 0.209 1126 L C 2.766 179.532 176.870 -0.175 0.000 1.094 1126 L CA 0.946 55.635 54.840 -0.252 0.000 0.763 1126 L CB -0.279 41.634 42.059 -0.242 0.000 0.908 1126 L HN 0.246 nan 8.230 nan 0.000 0.437 1127 E N 0.250 120.344 120.200 -0.177 0.000 2.106 1127 E HA -0.177 4.173 4.350 0.000 0.000 0.192 1127 E C 2.282 178.743 176.600 -0.232 0.000 0.984 1127 E CA 0.957 57.274 56.400 -0.138 0.000 0.806 1127 E CB 0.054 29.700 29.700 -0.089 0.000 0.750 1127 E HN 0.464 nan 8.360 nan 0.000 0.458 1128 I N 0.693 121.017 120.570 -0.411 0.000 2.286 1128 I HA -0.241 3.929 4.170 0.000 0.000 0.245 1128 I C 2.330 178.327 176.117 -0.200 0.000 1.104 1128 I CA 1.014 62.054 61.300 -0.434 0.000 1.397 1128 I CB -0.057 37.660 38.000 -0.470 0.000 1.072 1128 I HN -0.033 nan 8.210 nan 0.000 0.417 1129 K N 0.574 120.869 120.400 -0.175 0.000 2.026 1129 K HA -0.152 4.168 4.320 0.000 0.000 0.208 1129 K C 1.927 178.475 176.600 -0.088 0.000 1.048 1129 K CA 1.512 57.726 56.287 -0.122 0.000 0.929 1129 K CB -0.112 32.314 32.500 -0.123 0.000 0.713 1129 K HN 0.220 nan 8.250 nan 0.000 0.439 1130 N N 0.930 119.582 118.700 -0.079 0.000 2.142 1130 N HA -0.153 4.587 4.740 0.000 0.000 0.186 1130 N C 1.559 177.054 175.510 -0.025 0.000 1.023 1130 N CA 1.101 54.124 53.050 -0.045 0.000 0.852 1130 N CB -0.133 38.334 38.487 -0.034 0.000 0.998 1130 N HN 0.000 nan 8.380 nan 0.000 0.424 1131 K N 1.173 121.566 120.400 -0.012 0.000 2.097 1131 K HA 0.120 4.440 4.320 0.000 0.000 0.205 1131 K C 1.725 178.330 176.600 0.008 0.000 1.050 1131 K CA 0.816 57.123 56.287 0.034 0.000 0.938 1131 K CB -0.335 32.248 32.500 0.137 0.000 0.718 1131 K HN 0.188 nan 8.250 nan 0.000 0.442 1132 I N 0.009 120.562 120.570 -0.029 0.000 2.439 1132 I HA -0.176 3.994 4.170 0.000 0.000 0.251 1132 I C 1.847 177.924 176.117 -0.067 0.000 1.139 1132 I CA 0.288 61.549 61.300 -0.066 0.000 1.438 1132 I CB -0.109 37.819 38.000 -0.120 0.000 1.085 1132 I HN 0.118 nan 8.210 nan 0.000 0.427 1133 L N 0.927 122.118 121.223 -0.053 0.000 2.044 1133 L HA -0.148 4.192 4.340 0.000 0.000 0.205 1133 L C 2.299 179.152 176.870 -0.027 0.000 1.075 1133 L CA 1.849 56.663 54.840 -0.043 0.000 0.747 1133 L CB -0.634 41.403 42.059 -0.037 0.000 0.903 1133 L HN 0.150 nan 8.230 nan 0.000 0.435 1134 E N -0.720 119.469 120.200 -0.018 0.000 2.086 1134 E HA -0.254 4.096 4.350 0.000 0.000 0.200 1134 E C 2.008 178.601 176.600 -0.011 0.000 1.012 1134 E CA 1.668 58.062 56.400 -0.009 0.000 0.812 1134 E CB 0.008 29.707 29.700 -0.001 0.000 0.743 1134 E HN 0.336 nan 8.360 nan 0.000 0.453 1135 K N -0.473 119.918 120.400 -0.015 0.000 2.284 1135 K HA 0.022 4.342 4.320 0.000 0.000 0.198 1135 K C 1.097 177.684 176.600 -0.021 0.000 1.048 1135 K CA 0.652 56.931 56.287 -0.014 0.000 0.987 1135 K CB 0.644 33.138 32.500 -0.010 0.000 0.800 1135 K HN 0.022 nan 8.250 nan 0.000 0.486 1136 E N -0.009 120.170 120.200 -0.035 0.000 2.676 1136 E HA 0.084 4.434 4.350 0.000 0.000 0.225 1136 E C -0.354 176.224 176.600 -0.036 0.000 0.944 1136 E CA -0.022 56.355 56.400 -0.037 0.000 1.156 1136 E CB 0.915 30.578 29.700 -0.062 0.000 1.117 1136 E HN 0.029 nan 8.360 nan 0.000 0.523 1137 K N 0.805 121.184 120.400 -0.036 0.000 3.088 1137 K HA -0.172 4.148 4.320 0.000 0.000 0.273 1137 K C -0.027 176.546 176.600 -0.045 0.000 1.111 1137 K CA 0.621 56.890 56.287 -0.031 0.000 0.803 1137 K CB -1.402 31.089 32.500 -0.015 0.000 1.226 1137 K HN 0.144 nan 8.250 nan 0.000 0.485 1138 I N 2.014 122.541 120.570 -0.072 0.000 2.339 1138 I HA 0.071 4.241 4.170 0.000 0.000 0.290 1138 I C 1.312 177.371 176.117 -0.097 0.000 0.994 1138 I CA -0.345 60.899 61.300 -0.093 0.000 1.191 1138 I CB 1.176 39.093 38.000 -0.137 0.000 1.343 1138 I HN 0.095 nan 8.210 nan 0.000 0.458 1139 T N 4.809 119.315 114.554 -0.079 0.000 2.918 1139 T HA 0.584 4.934 4.350 0.000 0.000 0.302 1139 T C 0.153 174.824 174.700 -0.048 0.000 1.045 1139 T CA -0.467 61.596 62.100 -0.061 0.000 1.114 1139 T CB 1.410 70.254 68.868 -0.042 0.000 0.965 1139 T HN 0.485 nan 8.240 nan 0.000 0.540 1140 V N -0.566 119.331 119.914 -0.029 0.000 3.156 1140 V HA 0.920 5.040 4.120 0.000 0.000 0.310 1140 V C -0.459 175.628 176.094 -0.012 0.000 1.234 1140 V CA -1.055 61.253 62.300 0.014 0.000 1.065 1140 V CB 1.728 33.581 31.823 0.050 0.000 1.088 1140 V HN 1.038 nan 8.190 nan 0.000 0.451 1141 T N 0.695 115.236 114.554 -0.022 0.000 2.861 1141 T HA 0.717 5.067 4.350 0.000 0.000 0.287 1141 T C -0.907 173.765 174.700 -0.047 0.000 1.003 1141 T CA -0.371 61.717 62.100 -0.020 0.000 0.977 1141 T CB 1.640 70.521 68.868 0.022 0.000 0.996 1141 T HN 0.774 nan 8.240 nan 0.000 0.448 1142 V N 2.188 122.084 119.914 -0.029 0.000 2.495 1142 V HA 0.817 4.937 4.120 0.000 0.000 0.298 1142 V C 0.543 176.672 176.094 0.058 0.000 1.031 1142 V CA -0.658 61.630 62.300 -0.020 0.000 0.871 1142 V CB 1.789 33.570 31.823 -0.070 0.000 0.988 1142 V HN 1.044 nan 8.190 nan 0.000 0.432 1143 G N 4.123 113.008 108.800 0.142 0.000 2.452 1143 G HA2 0.802 4.762 3.960 0.000 0.000 0.324 1143 G HA3 0.802 4.762 3.960 0.000 0.000 0.324 1143 G C -1.224 173.760 174.900 0.140 0.000 1.214 1143 G CA -0.530 44.654 45.100 0.142 0.000 0.947 1143 G HN 0.581 nan 8.290 nan 0.000 0.478 1144 I N 0.849 121.471 120.570 0.086 0.000 2.545 1144 I HA 0.671 4.842 4.170 0.000 0.000 0.292 1144 I C 0.102 176.212 176.117 -0.012 0.000 1.040 1144 I CA -0.309 61.040 61.300 0.082 0.000 1.068 1144 I CB 2.409 40.462 38.000 0.088 0.000 1.251 1144 I HN 0.567 nan 8.210 nan 0.000 0.424 1145 S N 2.170 117.931 115.700 0.101 0.000 2.669 1145 S HA 0.227 4.697 4.470 0.000 0.000 0.266 1145 S C 0.131 174.892 174.600 0.268 0.000 1.149 1145 S CA -0.728 57.529 58.200 0.095 0.000 0.842 1145 S CB 1.171 64.434 63.200 0.104 0.000 1.160 1145 S HN 0.705 nan 8.310 nan 0.000 0.487 1146 K N 0.410 120.955 120.400 0.240 0.000 2.288 1146 K HA 0.083 4.403 4.320 0.000 0.000 0.201 1146 K C 0.386 177.102 176.600 0.193 0.000 1.048 1146 K CA 1.164 57.578 56.287 0.212 0.000 0.956 1146 K CB -0.460 32.128 32.500 0.148 0.000 0.746 1146 K HN 0.458 nan 8.250 nan 0.000 0.461 1147 N N -0.611 118.226 118.700 0.229 0.000 2.697 1147 N HA 0.192 4.932 4.740 0.000 0.000 0.272 1147 N C -0.258 175.387 175.510 0.224 0.000 1.381 1147 N CA -1.129 52.076 53.050 0.258 0.000 0.797 1147 N CB 1.153 39.875 38.487 0.391 0.000 1.523 1147 N HN -0.268 nan 8.380 nan 0.000 0.518 1148 K N -0.494 120.017 120.400 0.185 0.000 2.032 1148 K HA -0.098 4.222 4.320 0.000 0.000 0.209 1148 K C 1.406 177.985 176.600 -0.035 0.000 1.048 1148 K CA 1.648 57.931 56.287 -0.008 0.000 0.927 1148 K CB -0.434 31.897 32.500 -0.282 0.000 0.712 1148 K HN 0.348 nan 8.250 nan 0.000 0.441 1149 V N 0.561 120.362 119.914 -0.188 0.000 2.295 1149 V HA -0.224 3.896 4.120 0.000 0.000 0.246 1149 V C 1.945 177.831 176.094 -0.346 0.000 1.049 1149 V CA 1.745 63.816 62.300 -0.381 0.000 1.024 1149 V CB -0.451 30.925 31.823 -0.745 0.000 0.648 1149 V HN 0.188 nan 8.190 nan 0.000 0.447 1150 F N 0.185 120.060 119.950 -0.124 0.000 2.558 1150 F HA 0.114 4.641 4.527 0.000 0.000 0.298 1150 F C 2.227 177.995 175.800 -0.052 0.000 1.119 1150 F CA 0.815 58.764 58.000 -0.084 0.000 1.451 1150 F CB -0.554 38.410 39.000 -0.061 0.000 1.091 1150 F HN 0.072 nan 8.300 nan 0.000 0.563 1151 A N -0.123 122.774 122.820 0.128 0.000 1.897 1151 A HA -0.174 4.146 4.320 0.000 0.000 0.215 1151 A C 2.228 179.784 177.584 -0.047 0.000 1.181 1151 A CA 1.554 53.662 52.037 0.117 0.000 0.620 1151 A CB -0.521 18.625 19.000 0.244 0.000 0.821 1151 A HN 0.303 nan 8.150 nan 0.000 0.443 1152 K N -0.179 120.036 120.400 -0.308 0.000 2.001 1152 K HA -0.066 4.254 4.320 0.000 0.000 0.208 1152 K C 1.779 178.215 176.600 -0.273 0.000 1.048 1152 K CA 1.543 57.424 56.287 -0.676 0.000 0.932 1152 K CB -0.359 31.699 32.500 -0.737 0.000 0.715 1152 K HN 0.440 nan 8.250 nan 0.000 0.437 1153 I N 1.181 121.626 120.570 -0.208 0.000 2.151 1153 I HA -0.351 3.819 4.170 0.000 0.000 0.243 1153 I C 2.435 178.532 176.117 -0.032 0.000 1.080 1153 I CA 1.450 62.671 61.300 -0.132 0.000 1.339 1153 I CB -0.417 37.476 38.000 -0.179 0.000 1.039 1153 I HN 0.316 nan 8.210 nan 0.000 0.409 1154 A N 0.570 123.397 122.820 0.012 0.000 1.917 1154 A HA -0.248 4.072 4.320 0.000 0.000 0.219 1154 A C 2.516 180.131 177.584 0.052 0.000 1.182 1154 A CA 2.174 54.236 52.037 0.043 0.000 0.633 1154 A CB -0.931 18.103 19.000 0.056 0.000 0.819 1154 A HN 0.477 nan 8.150 nan 0.000 0.448 1155 A N -0.233 122.634 122.820 0.078 0.000 1.930 1155 A HA -0.132 4.188 4.320 0.000 0.000 0.217 1155 A C 1.680 179.314 177.584 0.083 0.000 1.175 1155 A CA 1.767 53.878 52.037 0.124 0.000 0.627 1155 A CB -0.528 18.650 19.000 0.297 0.000 0.815 1155 A HN 0.452 nan 8.150 nan 0.000 0.443 1156 D N -0.387 120.040 120.400 0.046 0.000 2.218 1156 D HA -0.104 4.536 4.640 0.000 0.000 0.204 1156 D C 1.918 178.237 176.300 0.032 0.000 0.976 1156 D CA 1.155 55.176 54.000 0.036 0.000 0.853 1156 D CB -0.279 40.521 40.800 -0.001 0.000 0.939 1156 D HN 0.526 nan 8.370 nan 0.000 0.481 1157 M N -0.094 119.521 119.600 0.025 0.000 2.248 1157 M HA 0.051 4.531 4.480 0.000 0.000 0.265 1157 M C 1.981 178.291 176.300 0.017 0.000 1.079 1157 M CA 0.957 56.269 55.300 0.019 0.000 1.150 1157 M CB 0.078 32.689 32.600 0.018 0.000 1.366 1157 M HN -0.072 nan 8.290 nan 0.000 0.433 1158 A N 0.021 122.856 122.820 0.025 0.000 2.251 1158 A HA 0.076 4.396 4.320 0.000 0.000 0.209 1158 A C 0.950 178.537 177.584 0.005 0.000 1.187 1158 A CA 0.046 52.094 52.037 0.017 0.000 0.823 1158 A CB -0.274 18.744 19.000 0.031 0.000 0.846 1158 A HN 0.211 nan 8.150 nan 0.000 0.486 1159 K N 0.520 120.929 120.400 0.016 0.000 2.296 1159 K HA 0.015 4.335 4.320 0.000 0.000 0.259 1159 K C -1.977 174.568 176.600 -0.091 0.000 1.000 1159 K CA -0.544 55.752 56.287 0.015 0.000 0.844 1159 K CB -0.657 31.893 32.500 0.083 0.000 1.008 1159 K HN 0.094 nan 8.250 nan 0.000 0.532 1160 P HA -0.261 nan 4.420 nan 0.000 0.261 1160 P C -0.126 177.134 177.300 -0.067 0.000 1.101 1160 P CA 0.829 63.837 63.100 -0.155 0.000 0.751 1160 P CB -0.111 31.331 31.700 -0.430 0.000 0.683 1161 N N 0.404 119.094 118.700 -0.017 0.000 2.727 1161 N HA -0.159 4.581 4.740 0.000 0.000 0.251 1161 N C 0.039 175.534 175.510 -0.025 0.000 1.040 1161 N CA 1.500 54.538 53.050 -0.021 0.000 0.712 1161 N CB -1.126 37.349 38.487 -0.020 0.000 0.912 1161 N HN 0.715 nan 8.380 nan 0.000 0.545 1162 G N -0.155 108.634 108.800 -0.019 0.000 2.644 1162 G HA2 0.816 4.776 3.960 0.000 0.000 0.307 1162 G HA3 0.816 4.776 3.960 0.000 0.000 0.307 1162 G C -0.949 173.942 174.900 -0.014 0.000 1.250 1162 G CA -0.439 44.655 45.100 -0.009 0.000 0.996 1162 G HN 0.549 nan 8.290 nan 0.000 0.489 1163 I N -0.763 119.815 120.570 0.013 0.000 2.702 1163 I HA 0.627 4.797 4.170 0.000 0.000 0.287 1163 I C -1.169 175.016 176.117 0.113 0.000 1.342 1163 I CA -0.678 60.635 61.300 0.021 0.000 1.063 1163 I CB 1.986 39.932 38.000 -0.090 0.000 1.331 1163 I HN 0.561 nan 8.210 nan 0.000 0.427 1164 K N 5.321 125.785 120.400 0.107 0.000 2.523 1164 K HA 0.831 5.152 4.320 0.000 0.000 0.257 1164 K C -2.098 174.541 176.600 0.065 0.000 0.932 1164 K CA -0.652 55.692 56.287 0.094 0.000 0.812 1164 K CB 2.339 34.870 32.500 0.052 0.000 1.326 1164 K HN 0.389 nan 8.250 nan 0.000 0.433 1165 V N 5.082 125.001 119.914 0.008 0.000 2.513 1165 V HA 0.501 4.621 4.120 0.000 0.000 0.299 1165 V C -0.535 175.461 176.094 -0.163 0.000 1.035 1165 V CA -0.683 61.544 62.300 -0.122 0.000 0.889 1165 V CB 1.650 33.377 31.823 -0.161 0.000 0.988 1165 V HN 0.666 nan 8.190 nan 0.000 0.440 1166 I N 5.480 125.913 120.570 -0.229 0.000 2.503 1166 I HA 0.264 4.434 4.170 0.000 0.000 0.277 1166 I C -0.028 175.916 176.117 -0.287 0.000 1.078 1166 I CA -0.646 60.548 61.300 -0.177 0.000 1.184 1166 I CB 1.045 39.017 38.000 -0.046 0.000 1.353 1166 I HN 0.705 nan 8.210 nan 0.000 0.490 1167 D N 3.185 123.426 120.400 -0.264 0.000 2.369 1167 D HA -0.048 4.592 4.640 0.000 0.000 0.241 1167 D C 0.647 176.918 176.300 -0.047 0.000 1.271 1167 D CA -0.099 53.816 54.000 -0.141 0.000 0.942 1167 D CB 0.902 41.715 40.800 0.021 0.000 1.129 1167 D HN 0.275 nan 8.370 nan 0.000 0.476 1168 D N -0.520 119.923 120.400 0.071 0.000 2.172 1168 D HA -0.170 4.470 4.640 0.000 0.000 0.196 1168 D C 1.685 177.945 176.300 -0.066 0.000 0.999 1168 D CA 1.251 55.248 54.000 -0.006 0.000 0.856 1168 D CB 0.120 40.938 40.800 0.030 0.000 0.934 1168 D HN 0.408 nan 8.370 nan 0.000 0.453 1169 E N 0.204 120.379 120.200 -0.042 0.000 2.072 1169 E HA -0.135 4.215 4.350 0.000 0.000 0.190 1169 E C 1.904 178.459 176.600 -0.075 0.000 0.982 1169 E CA 0.554 56.923 56.400 -0.051 0.000 0.803 1169 E CB -0.133 29.550 29.700 -0.028 0.000 0.755 1169 E HN 0.458 nan 8.360 nan 0.000 0.453 1170 E N 0.506 120.654 120.200 -0.087 0.000 2.358 1170 E HA -0.075 4.275 4.350 0.000 0.000 0.195 1170 E C 1.991 178.502 176.600 -0.148 0.000 1.010 1170 E CA 0.118 56.464 56.400 -0.089 0.000 0.856 1170 E CB 0.355 30.012 29.700 -0.071 0.000 0.795 1170 E HN -0.040 nan 8.360 nan 0.000 0.504 1171 V N 1.439 121.192 119.914 -0.269 0.000 2.261 1171 V HA -0.250 3.870 4.120 0.000 0.000 0.246 1171 V C 2.287 178.180 176.094 -0.335 0.000 1.047 1171 V CA 1.557 63.524 62.300 -0.555 0.000 1.015 1171 V CB -0.342 31.060 31.823 -0.702 0.000 0.642 1171 V HN 0.180 nan 8.190 nan 0.000 0.446 1172 K N -0.090 120.191 120.400 -0.198 0.000 2.147 1172 K HA -0.162 4.158 4.320 0.000 0.000 0.205 1172 K C 2.220 178.784 176.600 -0.060 0.000 1.049 1172 K CA 1.295 57.518 56.287 -0.108 0.000 0.936 1172 K CB -0.401 32.054 32.500 -0.075 0.000 0.722 1172 K HN 0.390 nan 8.250 nan 0.000 0.446 1173 R N 0.730 121.197 120.500 -0.056 0.000 2.093 1173 R HA 0.039 4.379 4.340 0.000 0.000 0.224 1173 R C 2.244 178.546 176.300 0.003 0.000 1.101 1173 R CA 0.620 56.706 56.100 -0.023 0.000 0.979 1173 R CB -0.044 30.242 30.300 -0.023 0.000 0.877 1173 R HN 0.076 nan 8.270 nan 0.000 0.441 1174 L N 0.461 121.695 121.223 0.019 0.000 2.291 1174 L HA -0.058 4.282 4.340 0.000 0.000 0.214 1174 L C 2.171 179.116 176.870 0.125 0.000 1.120 1174 L CA 0.568 55.465 54.840 0.095 0.000 0.799 1174 L CB -0.132 42.052 42.059 0.208 0.000 0.925 1174 L HN 0.235 nan 8.230 nan 0.000 0.446 1175 I N -0.491 120.138 120.570 0.099 0.000 2.454 1175 I HA -0.271 3.899 4.170 0.000 0.000 0.254 1175 I C 2.697 178.844 176.117 0.050 0.000 1.156 1175 I CA 1.276 62.633 61.300 0.096 0.000 1.433 1175 I CB -0.121 37.911 38.000 0.052 0.000 1.082 1175 I HN 0.207 nan 8.210 nan 0.000 0.432 1176 R N -0.087 120.431 120.500 0.031 0.000 2.156 1176 R HA 0.046 4.386 4.340 0.000 0.000 0.207 1176 R C 1.486 177.797 176.300 0.018 0.000 1.040 1176 R CA 0.683 56.794 56.100 0.019 0.000 1.013 1176 R CB 0.348 30.654 30.300 0.009 0.000 0.931 1176 R HN 0.338 nan 8.270 nan 0.000 0.465 1177 E N -0.288 119.926 120.200 0.023 0.000 2.514 1177 E HA 0.041 4.391 4.350 0.000 0.000 0.215 1177 E C -0.533 176.078 176.600 0.018 0.000 0.946 1177 E CA -0.235 56.175 56.400 0.017 0.000 1.038 1177 E CB 0.664 30.371 29.700 0.012 0.000 1.069 1177 E HN -0.021 nan 8.360 nan 0.000 0.503 1178 L N 2.907 124.147 121.223 0.028 0.000 2.360 1178 L HA 0.098 4.438 4.340 0.000 0.000 0.276 1178 L C 0.105 176.978 176.870 0.004 0.000 1.121 1178 L CA 0.026 54.878 54.840 0.019 0.000 0.845 1178 L CB 0.523 42.600 42.059 0.030 0.000 1.143 1178 L HN -0.122 nan 8.230 nan 0.000 0.452 1179 D N 3.847 124.246 120.400 -0.002 0.000 2.658 1179 D HA -0.182 4.458 4.640 0.000 0.000 0.230 1179 D C 1.180 177.471 176.300 -0.016 0.000 1.118 1179 D CA 0.685 54.681 54.000 -0.007 0.000 0.848 1179 D CB 0.716 41.512 40.800 -0.008 0.000 1.160 1179 D HN 0.667 nan 8.370 nan 0.000 0.497 1180 I N 3.266 123.827 120.570 -0.014 0.000 3.111 1180 I HA -0.143 4.027 4.170 0.000 0.000 0.272 1180 I C 2.053 178.157 176.117 -0.022 0.000 1.268 1180 I CA 0.533 61.821 61.300 -0.020 0.000 1.467 1180 I CB 0.214 38.207 38.000 -0.012 0.000 1.087 1180 I HN 0.468 nan 8.210 nan 0.000 0.467 1181 A N -0.294 122.515 122.820 -0.019 0.000 2.119 1181 A HA -0.129 4.191 4.320 0.000 0.000 0.217 1181 A C 1.591 179.159 177.584 -0.027 0.000 1.153 1181 A CA 1.320 53.346 52.037 -0.019 0.000 0.692 1181 A CB -0.317 18.674 19.000 -0.014 0.000 0.799 1181 A HN 0.407 nan 8.150 nan 0.000 0.458 1182 D N -0.419 119.960 120.400 -0.035 0.000 2.339 1182 D HA 0.147 4.787 4.640 0.000 0.000 0.217 1182 D C 0.071 176.322 176.300 -0.082 0.000 1.050 1182 D CA 0.143 54.114 54.000 -0.047 0.000 0.856 1182 D CB 0.276 41.053 40.800 -0.038 0.000 0.922 1182 D HN 0.142 nan 8.370 nan 0.000 0.518 1183 V N 2.887 122.749 119.914 -0.086 0.000 2.572 1183 V HA 0.091 4.211 4.120 0.000 0.000 0.291 1183 V C -1.985 174.059 176.094 -0.083 0.000 1.039 1183 V CA -1.324 60.901 62.300 -0.124 0.000 1.055 1183 V CB 0.831 32.597 31.823 -0.096 0.000 0.969 1183 V HN -0.088 nan 8.190 nan 0.000 0.482 1184 P HA 0.172 nan 4.420 nan 0.000 0.262 1184 P C 0.948 178.228 177.300 -0.034 0.000 1.182 1184 P CA 1.482 64.535 63.100 -0.078 0.000 0.761 1184 P CB 0.440 32.071 31.700 -0.116 0.000 0.795 1185 G N 2.649 111.411 108.800 -0.064 0.000 2.213 1185 G HA2 -0.186 3.774 3.960 0.000 0.000 0.236 1185 G HA3 -0.186 3.774 3.960 0.000 0.000 0.236 1185 G C 0.013 174.870 174.900 -0.073 0.000 0.991 1185 G CA -0.469 44.567 45.100 -0.107 0.000 0.629 1185 G HN 0.470 nan 8.290 nan 0.000 0.517 1186 I N 2.283 122.833 120.570 -0.033 0.000 2.315 1186 I HA 0.623 4.793 4.170 0.000 0.000 0.291 1186 I C 1.146 177.248 176.117 -0.026 0.000 1.006 1186 I CA -0.257 61.030 61.300 -0.022 0.000 1.265 1186 I CB 0.349 38.346 38.000 -0.006 0.000 1.387 1186 I HN 0.183 nan 8.210 nan 0.000 0.475 1187 G N 4.627 113.412 108.800 -0.025 0.000 2.828 1187 G HA2 0.280 4.240 3.960 0.000 0.000 0.244 1187 G HA3 0.280 4.240 3.960 0.000 0.000 0.244 1187 G C 0.578 175.468 174.900 -0.016 0.000 1.365 1187 G CA -0.473 44.614 45.100 -0.021 0.000 1.041 1187 G HN 0.565 nan 8.290 nan 0.000 0.560 1188 N N -0.784 117.908 118.700 -0.013 0.000 2.036 1188 N HA -0.151 4.589 4.740 0.000 0.000 0.195 1188 N C 2.183 177.686 175.510 -0.011 0.000 1.037 1188 N CA 1.612 54.656 53.050 -0.010 0.000 0.855 1188 N CB -0.127 38.355 38.487 -0.008 0.000 1.033 1188 N HN 0.419 nan 8.380 nan 0.000 0.423 1189 I N 0.016 120.578 120.570 -0.013 0.000 2.286 1189 I HA -0.180 3.990 4.170 0.000 0.000 0.245 1189 I C 1.842 177.950 176.117 -0.015 0.000 1.104 1189 I CA 0.999 62.291 61.300 -0.013 0.000 1.397 1189 I CB -0.373 37.618 38.000 -0.014 0.000 1.072 1189 I HN 0.177 nan 8.210 nan 0.000 0.417 1190 T N 0.776 115.320 114.554 -0.017 0.000 2.867 1190 T HA -0.082 4.268 4.350 0.000 0.000 0.268 1190 T C 2.019 176.711 174.700 -0.013 0.000 1.057 1190 T CA 1.251 63.341 62.100 -0.017 0.000 1.136 1190 T CB -0.205 68.651 68.868 -0.019 0.000 0.874 1190 T HN 0.447 nan 8.240 nan 0.000 0.466 1191 A N 1.704 124.517 122.820 -0.012 0.000 1.930 1191 A HA -0.083 4.237 4.320 0.000 0.000 0.217 1191 A C 2.298 179.877 177.584 -0.010 0.000 1.175 1191 A CA 1.041 53.072 52.037 -0.010 0.000 0.627 1191 A CB -0.257 18.737 19.000 -0.011 0.000 0.815 1191 A HN 0.293 nan 8.150 nan 0.000 0.443 1192 E N 0.528 120.722 120.200 -0.010 0.000 2.106 1192 E HA -0.154 4.196 4.350 0.000 0.000 0.192 1192 E C 1.862 178.456 176.600 -0.010 0.000 0.984 1192 E CA 1.235 57.630 56.400 -0.009 0.000 0.806 1192 E CB -0.328 29.367 29.700 -0.009 0.000 0.750 1192 E HN 0.670 nan 8.360 nan 0.000 0.458 1193 K N 0.462 120.855 120.400 -0.013 0.000 2.057 1193 K HA -0.035 4.285 4.320 0.000 0.000 0.206 1193 K C 2.388 178.979 176.600 -0.014 0.000 1.050 1193 K CA 0.754 57.032 56.287 -0.015 0.000 0.935 1193 K CB -0.163 32.326 32.500 -0.018 0.000 0.715 1193 K HN 0.042 nan 8.250 nan 0.000 0.439 1194 L N 1.070 122.286 121.223 -0.012 0.000 2.056 1194 L HA -0.193 4.147 4.340 0.000 0.000 0.207 1194 L C 2.526 179.391 176.870 -0.008 0.000 1.078 1194 L CA 1.220 56.054 54.840 -0.010 0.000 0.749 1194 L CB -0.296 41.759 42.059 -0.008 0.000 0.901 1194 L HN 0.116 nan 8.230 nan 0.000 0.433 1195 K N 0.140 120.535 120.400 -0.008 0.000 2.057 1195 K HA -0.176 4.144 4.320 0.000 0.000 0.207 1195 K C 2.103 178.700 176.600 -0.006 0.000 1.049 1195 K CA 1.248 57.532 56.287 -0.006 0.000 0.931 1195 K CB 0.089 32.585 32.500 -0.006 0.000 0.714 1195 K HN -0.066 nan 8.250 nan 0.000 0.440 1196 K N 0.549 120.945 120.400 -0.008 0.000 2.283 1196 K HA -0.039 4.281 4.320 0.000 0.000 0.202 1196 K C 1.815 178.410 176.600 -0.008 0.000 1.048 1196 K CA 0.881 57.164 56.287 -0.008 0.000 0.948 1196 K CB -0.031 32.463 32.500 -0.009 0.000 0.742 1196 K HN 0.307 nan 8.250 nan 0.000 0.458 1197 L N -0.568 120.649 121.223 -0.009 0.000 2.509 1197 L HA 0.051 4.391 4.340 0.000 0.000 0.222 1197 L C 0.857 177.724 176.870 -0.006 0.000 1.123 1197 L CA 0.531 55.365 54.840 -0.010 0.000 0.856 1197 L CB -0.002 42.049 42.059 -0.014 0.000 0.985 1197 L HN 0.362 nan 8.230 nan 0.000 0.456 1198 G N 1.041 109.838 108.800 -0.004 0.000 2.140 1198 G HA2 -0.242 3.718 3.960 0.000 0.000 0.211 1198 G HA3 -0.242 3.718 3.960 0.000 0.000 0.211 1198 G C -0.082 174.818 174.900 -0.001 0.000 1.013 1198 G CA -0.371 44.728 45.100 -0.002 0.000 0.705 1198 G HN 0.247 nan 8.290 nan 0.000 0.508 1199 I N 1.222 121.791 120.570 -0.002 0.000 2.405 1199 I HA 0.323 4.493 4.170 0.000 0.000 0.280 1199 I C 0.678 176.794 176.117 -0.001 0.000 1.027 1199 I CA -0.900 60.400 61.300 -0.000 0.000 1.161 1199 I CB 1.043 39.043 38.000 -0.001 0.000 1.300 1199 I HN 0.111 nan 8.210 nan 0.000 0.463 1200 N N 4.374 123.074 118.700 0.000 0.000 2.332 1200 N HA 0.144 4.884 4.740 0.000 0.000 0.190 1200 N C 0.083 175.593 175.510 -0.000 0.000 1.117 1200 N CA -0.039 53.010 53.050 -0.001 0.000 0.883 1200 N CB 0.822 39.309 38.487 -0.001 0.000 1.089 1200 N HN 0.364 nan 8.380 nan 0.000 0.480 1201 K N 0.858 121.260 120.400 0.003 0.000 2.295 1201 K HA 0.383 4.703 4.320 0.000 0.000 0.239 1201 K C 1.299 177.902 176.600 0.006 0.000 0.991 1201 K CA -0.677 55.614 56.287 0.006 0.000 0.845 1201 K CB 1.632 34.137 32.500 0.009 0.000 1.197 1201 K HN -0.147 nan 8.250 nan 0.000 0.441 1202 L N 0.730 121.958 121.223 0.008 0.000 2.042 1202 L HA -0.157 4.183 4.340 0.000 0.000 0.210 1202 L C 2.149 179.029 176.870 0.016 0.000 1.076 1202 L CA 1.005 55.849 54.840 0.008 0.000 0.749 1202 L CB -0.209 41.858 42.059 0.014 0.000 0.893 1202 L HN 0.392 nan 8.230 nan 0.000 0.432 1203 V N -0.297 119.629 119.914 0.020 0.000 2.913 1203 V HA -0.217 3.904 4.120 0.000 0.000 0.260 1203 V C 1.222 177.327 176.094 0.019 0.000 1.098 1203 V CA 1.531 63.843 62.300 0.020 0.000 1.121 1203 V CB -0.452 31.382 31.823 0.017 0.000 0.714 1203 V HN 0.434 nan 8.190 nan 0.000 0.487 1204 D N 0.036 120.446 120.400 0.016 0.000 2.352 1204 D HA -0.025 4.615 4.640 0.000 0.000 0.232 1204 D C 1.889 178.200 176.300 0.019 0.000 1.055 1204 D CA 1.158 55.166 54.000 0.015 0.000 0.891 1204 D CB 0.047 40.853 40.800 0.010 0.000 0.897 1204 D HN 0.696 nan 8.370 nan 0.000 0.529 1205 T N -2.452 112.117 114.554 0.025 0.000 3.107 1205 T HA 0.130 4.480 4.350 0.000 0.000 0.249 1205 T C 1.551 176.283 174.700 0.054 0.000 1.096 1205 T CA -0.024 62.098 62.100 0.037 0.000 1.012 1205 T CB -0.128 68.765 68.868 0.042 0.000 0.977 1205 T HN 0.116 nan 8.240 nan 0.000 0.527 1206 L N -0.164 121.084 121.223 0.043 0.000 2.766 1206 L HA 0.399 4.739 4.340 0.000 0.000 0.242 1206 L C 2.214 179.106 176.870 0.036 0.000 1.136 1206 L CA -0.179 54.688 54.840 0.045 0.000 0.933 1206 L CB 0.011 42.091 42.059 0.035 0.000 1.241 1206 L HN 0.113 nan 8.230 nan 0.000 0.522 1207 S N 0.112 115.829 115.700 0.029 0.000 2.470 1207 S HA 0.187 4.657 4.470 0.000 0.000 0.225 1207 S C 0.779 175.395 174.600 0.025 0.000 1.006 1207 S CA 0.278 58.491 58.200 0.023 0.000 0.934 1207 S CB 0.284 63.493 63.200 0.016 0.000 0.778 1207 S HN 0.244 nan 8.310 nan 0.000 0.517 1208 I N 1.552 122.140 120.570 0.031 0.000 2.525 1208 I HA 0.261 4.431 4.170 0.000 0.000 0.301 1208 I C -0.320 175.827 176.117 0.051 0.000 0.992 1208 I CA -0.805 60.512 61.300 0.029 0.000 1.162 1208 I CB 1.614 39.623 38.000 0.015 0.000 1.332 1208 I HN 0.018 nan 8.210 nan 0.000 0.458 1209 E N 4.274 124.503 120.200 0.048 0.000 2.390 1209 E HA -0.004 4.346 4.350 0.000 0.000 0.261 1209 E C 0.015 176.677 176.600 0.103 0.000 1.076 1209 E CA 0.055 56.504 56.400 0.081 0.000 0.905 1209 E CB 1.017 30.755 29.700 0.062 0.000 0.984 1209 E HN 0.556 nan 8.360 nan 0.000 0.427 1210 F N 2.403 122.358 119.950 0.009 0.000 2.113 1210 F HA -0.179 4.348 4.527 0.000 0.000 0.297 1210 F C 1.495 177.302 175.800 0.011 0.000 1.103 1210 F CA 1.682 59.689 58.000 0.011 0.000 1.248 1210 F CB 0.182 39.189 39.000 0.012 0.000 0.999 1210 F HN 0.476 nan 8.300 nan 0.000 0.475 1211 D N 0.049 120.460 120.400 0.019 0.000 2.269 1211 D HA -0.125 4.515 4.640 0.000 0.000 0.208 1211 D C 2.110 178.342 176.300 -0.114 0.000 0.963 1211 D CA 0.802 54.758 54.000 -0.074 0.000 0.864 1211 D CB -0.232 40.596 40.800 0.046 0.000 0.936 1211 D HN 0.309 nan 8.370 nan 0.000 0.505 1212 K N -0.020 120.333 120.400 -0.079 0.000 2.057 1212 K HA -0.090 4.230 4.320 0.000 0.000 0.206 1212 K C 1.907 178.441 176.600 -0.110 0.000 1.050 1212 K CA 0.433 56.678 56.287 -0.069 0.000 0.935 1212 K CB -0.049 32.431 32.500 -0.033 0.000 0.715 1212 K HN -0.021 nan 8.250 nan 0.000 0.439 1213 L N 1.825 122.952 121.223 -0.161 0.000 2.056 1213 L HA -0.141 4.199 4.340 0.000 0.000 0.207 1213 L C 2.113 178.840 176.870 -0.239 0.000 1.078 1213 L CA 1.791 56.522 54.840 -0.180 0.000 0.749 1213 L CB -0.508 41.440 42.059 -0.186 0.000 0.901 1213 L HN 0.069 nan 8.230 nan 0.000 0.433 1214 K N -0.559 119.603 120.400 -0.397 0.000 2.074 1214 K HA -0.169 4.151 4.320 0.000 0.000 0.209 1214 K C 1.802 178.300 176.600 -0.170 0.000 1.048 1214 K CA 1.551 57.632 56.287 -0.343 0.000 0.926 1214 K CB -0.581 31.663 32.500 -0.426 0.000 0.713 1214 K HN 0.515 nan 8.250 nan 0.000 0.444 1215 G N 0.173 108.892 108.800 -0.136 0.000 2.598 1215 G HA2 -0.150 3.811 3.960 0.000 0.000 0.215 1215 G HA3 -0.150 3.811 3.960 0.000 0.000 0.215 1215 G C 1.190 176.051 174.900 -0.065 0.000 1.131 1215 G CA 0.269 45.321 45.100 -0.080 0.000 0.785 1215 G HN 0.224 nan 8.290 nan 0.000 0.539 1216 M N -0.127 119.429 119.600 -0.074 0.000 2.800 1216 M HA 0.353 4.833 4.480 0.000 0.000 0.257 1216 M C 1.933 178.204 176.300 -0.050 0.000 1.309 1216 M CA 0.573 55.840 55.300 -0.055 0.000 1.202 1216 M CB 0.300 32.869 32.600 -0.051 0.000 1.273 1216 M HN 0.297 nan 8.290 nan 0.000 0.528 1217 I N -2.932 117.603 120.570 -0.059 0.000 4.154 1217 I HA 0.630 4.800 4.170 0.000 0.000 0.334 1217 I C 0.665 176.754 176.117 -0.046 0.000 1.371 1217 I CA -0.070 61.203 61.300 -0.046 0.000 1.110 1217 I CB -0.274 37.705 38.000 -0.035 0.000 1.085 1217 I HN 0.264 nan 8.210 nan 0.000 0.398 1218 G N 1.998 110.763 108.800 -0.058 0.000 2.746 1218 G HA2 -0.233 3.727 3.960 0.000 0.000 0.685 1218 G HA3 -0.233 3.727 3.960 0.000 0.000 0.685 1218 G C 0.113 174.980 174.900 -0.055 0.000 1.350 1218 G CA 0.172 45.242 45.100 -0.049 0.000 0.837 1218 G HN 0.430 nan 8.290 nan 0.000 0.564 1219 E N -0.062 120.121 120.200 -0.029 0.000 2.152 1219 E HA 0.052 4.402 4.350 0.000 0.000 0.192 1219 E C 2.738 179.372 176.600 0.057 0.000 0.983 1219 E CA 1.701 58.106 56.400 0.009 0.000 0.818 1219 E CB -0.190 29.539 29.700 0.049 0.000 0.758 1219 E HN 0.923 nan 8.360 nan 0.000 0.467 1220 A N 1.442 124.283 122.820 0.035 0.000 1.855 1220 A HA -0.163 4.157 4.320 0.000 0.000 0.215 1220 A C 2.008 179.634 177.584 0.070 0.000 1.191 1220 A CA 1.526 53.590 52.037 0.044 0.000 0.613 1220 A CB -0.299 18.697 19.000 -0.006 0.000 0.829 1220 A HN 0.098 nan 8.150 nan 0.000 0.442 1221 K N -0.130 120.287 120.400 0.028 0.000 2.211 1221 K HA 0.040 4.360 4.320 0.000 0.000 0.203 1221 K C 2.158 178.852 176.600 0.155 0.000 1.050 1221 K CA 0.866 57.201 56.287 0.080 0.000 0.945 1221 K CB -0.243 32.267 32.500 0.016 0.000 0.732 1221 K HN 0.450 nan 8.250 nan 0.000 0.451 1222 A N 1.751 124.620 122.820 0.081 0.000 1.873 1222 A HA -0.148 4.172 4.320 0.000 0.000 0.215 1222 A C 1.935 179.642 177.584 0.206 0.000 1.186 1222 A CA 1.308 53.376 52.037 0.052 0.000 0.616 1222 A CB -0.219 18.690 19.000 -0.152 0.000 0.823 1222 A HN 0.110 nan 8.150 nan 0.000 0.442 1223 K N -1.881 118.679 120.400 0.267 0.000 2.148 1223 K HA -0.139 4.181 4.320 0.000 0.000 0.204 1223 K C 1.897 178.650 176.600 0.255 0.000 1.050 1223 K CA 1.563 58.030 56.287 0.299 0.000 0.942 1223 K CB -0.272 32.374 32.500 0.245 0.000 0.724 1223 K HN 0.656 nan 8.250 nan 0.000 0.446 1224 Y N 1.183 121.555 120.300 0.121 0.000 2.153 1224 Y HA -0.135 4.415 4.550 0.000 0.000 0.289 1224 Y C 1.792 177.748 175.900 0.093 0.000 1.127 1224 Y CA 1.245 59.418 58.100 0.123 0.000 1.131 1224 Y CB -0.227 38.283 38.460 0.083 0.000 0.995 1224 Y HN -0.099 nan 8.280 nan 0.000 0.505 1225 L N -0.217 121.060 121.223 0.091 0.000 2.046 1225 L HA -0.215 4.125 4.340 0.000 0.000 0.208 1225 L C 2.407 179.260 176.870 -0.029 0.000 1.077 1225 L CA 1.432 56.246 54.840 -0.043 0.000 0.747 1225 L CB -0.486 41.610 42.059 0.062 0.000 0.896 1225 L HN 0.304 nan 8.230 nan 0.000 0.432 1226 I N -1.103 119.503 120.570 0.060 0.000 2.226 1226 I HA -0.308 3.862 4.170 0.000 0.000 0.245 1226 I C 2.806 178.953 176.117 0.049 0.000 1.100 1226 I CA 1.313 62.660 61.300 0.077 0.000 1.374 1226 I CB -0.275 37.820 38.000 0.157 0.000 1.057 1226 I HN 0.216 nan 8.210 nan 0.000 0.413 1227 S N 0.949 116.680 115.700 0.051 0.000 2.383 1227 S HA -0.143 4.327 4.470 0.000 0.000 0.229 1227 S C 2.003 176.634 174.600 0.052 0.000 1.030 1227 S CA 1.345 59.582 58.200 0.060 0.000 1.002 1227 S CB -0.261 63.005 63.200 0.110 0.000 0.829 1227 S HN 0.347 nan 8.310 nan 0.000 0.467 1228 L N 0.742 121.942 121.223 -0.039 0.000 2.240 1228 L HA 0.127 4.467 4.340 0.000 0.000 0.211 1228 L C 2.804 179.704 176.870 0.050 0.000 1.106 1228 L CA 0.957 55.782 54.840 -0.024 0.000 0.793 1228 L CB -0.486 41.431 42.059 -0.237 0.000 0.927 1228 L HN 0.391 nan 8.230 nan 0.000 0.446 1229 A N 0.100 122.934 122.820 0.023 0.000 1.897 1229 A HA -0.130 4.190 4.320 0.000 0.000 0.215 1229 A C 2.290 179.894 177.584 0.034 0.000 1.181 1229 A CA 1.036 53.094 52.037 0.035 0.000 0.620 1229 A CB -0.344 18.673 19.000 0.028 0.000 0.821 1229 A HN 0.279 nan 8.150 nan 0.000 0.443 1230 R N -0.811 119.708 120.500 0.033 0.000 2.339 1230 R HA -0.034 4.306 4.340 0.000 0.000 0.199 1230 R C 0.043 176.359 176.300 0.027 0.000 1.018 1230 R CA 0.642 56.757 56.100 0.025 0.000 1.036 1230 R CB -0.162 30.152 30.300 0.023 0.000 0.899 1230 R HN 0.469 nan 8.270 nan 0.000 0.473 1231 D N 0.402 120.827 120.400 0.042 0.000 2.772 1231 D HA -0.191 4.450 4.640 0.000 0.000 0.233 1231 D C -0.184 176.148 176.300 0.054 0.000 1.143 1231 D CA 0.980 55.007 54.000 0.044 0.000 0.700 1231 D CB -0.907 39.892 40.800 -0.001 0.000 1.076 1231 D HN 0.418 nan 8.370 nan 0.000 0.430 1232 E N -1.058 119.183 120.200 0.069 0.000 2.501 1232 E HA 0.079 4.429 4.350 0.000 0.000 0.201 1232 E C -0.035 176.607 176.600 0.070 0.000 1.016 1232 E CA -0.425 56.005 56.400 0.050 0.000 0.920 1232 E CB 0.374 30.089 29.700 0.025 0.000 1.023 1232 E HN 0.459 nan 8.360 nan 0.000 0.474 1233 Y N 1.143 121.443 120.300 0.000 0.000 2.465 1233 Y HA 0.132 4.682 4.550 0.000 0.000 0.331 1233 Y C 0.218 176.128 175.900 0.017 0.000 1.102 1233 Y CA 0.366 58.464 58.100 -0.003 0.000 1.358 1233 Y CB 0.421 38.862 38.460 -0.031 0.000 1.213 1233 Y HN -0.126 nan 8.280 nan 0.000 0.525 1234 N N 3.729 122.213 118.700 -0.360 0.000 2.528 1234 N HA 0.005 4.745 4.740 0.000 0.000 0.266 1234 N C -1.604 173.725 175.510 -0.302 0.000 1.528 1234 N CA -0.183 52.751 53.050 -0.193 0.000 0.959 1234 N CB 0.154 38.602 38.487 -0.065 0.000 1.430 1234 N HN 0.611 nan 8.380 nan 0.000 0.511 1235 E N 1.369 121.207 120.200 -0.604 0.000 2.384 1235 E HA 0.183 4.533 4.350 0.000 0.000 0.266 1235 E C -2.047 174.464 176.600 -0.148 0.000 1.012 1235 E CA -1.010 55.174 56.400 -0.360 0.000 0.901 1235 E CB 0.540 30.002 29.700 -0.396 0.000 0.967 1235 E HN 0.355 nan 8.360 nan 0.000 0.435 1236 P HA 0.202 nan 4.420 nan 0.000 0.276 1236 P C -0.093 177.196 177.300 -0.018 0.000 1.244 1236 P CA -0.587 62.493 63.100 -0.033 0.000 0.801 1236 P CB 0.663 32.349 31.700 -0.023 0.000 1.006 1237 I N 2.547 123.125 120.570 0.014 0.000 2.618 1237 I HA 0.134 4.305 4.170 0.000 0.000 0.284 1237 I C 1.183 177.322 176.117 0.037 0.000 1.146 1237 I CA 0.944 62.268 61.300 0.039 0.000 1.425 1237 I CB -0.504 37.549 38.000 0.088 0.000 1.383 1237 I HN 0.507 nan 8.210 nan 0.000 0.562 1238 R N 1.974 122.499 120.500 0.041 0.000 2.687 1238 R HA 0.423 4.763 4.340 0.000 0.000 0.265 1238 R C -1.247 175.079 176.300 0.044 0.000 1.048 1238 R CA -0.771 55.350 56.100 0.035 0.000 0.884 1238 R CB -0.016 30.295 30.300 0.019 0.000 1.258 1238 R HN 0.292 nan 8.270 nan 0.000 0.469 1239 T N 2.911 117.488 114.554 0.038 0.000 2.754 1239 T HA 0.133 4.483 4.350 0.000 0.000 0.282 1239 T C 0.013 174.735 174.700 0.037 0.000 0.923 1239 T CA -0.052 62.071 62.100 0.038 0.000 1.164 1239 T CB -0.174 68.711 68.868 0.027 0.000 0.873 1239 T HN 0.276 nan 8.240 nan 0.000 0.537 1240 R N 2.410 122.937 120.500 0.045 0.000 2.484 1240 R HA 0.206 4.546 4.340 0.000 0.000 0.293 1240 R C -0.310 176.014 176.300 0.040 0.000 1.023 1240 R CA -0.209 55.918 56.100 0.045 0.000 1.037 1240 R CB 0.322 30.654 30.300 0.054 0.000 0.951 1240 R HN 0.371 nan 8.270 nan 0.000 0.418 1241 V N 5.242 125.183 119.914 0.045 0.000 2.350 1241 V HA 0.167 4.287 4.120 0.000 0.000 0.276 1241 V C 0.348 176.491 176.094 0.081 0.000 1.028 1241 V CA -0.846 61.484 62.300 0.050 0.000 0.860 1241 V CB 1.185 33.043 31.823 0.059 0.000 0.990 1241 V HN 0.602 nan 8.190 nan 0.000 0.453 1242 R N 4.091 124.634 120.500 0.071 0.000 2.494 1242 R HA 0.012 4.352 4.340 0.000 0.000 0.291 1242 R C 1.120 177.599 176.300 0.298 0.000 0.953 1242 R CA 0.454 56.633 56.100 0.133 0.000 1.098 1242 R CB -0.047 30.294 30.300 0.067 0.000 0.911 1242 R HN 0.558 nan 8.270 nan 0.000 0.407 1243 K N 0.572 121.131 120.400 0.264 0.000 2.354 1243 K HA 0.098 4.418 4.320 0.000 0.000 0.194 1243 K C 0.002 176.702 176.600 0.166 0.000 1.038 1243 K CA 0.431 56.859 56.287 0.235 0.000 1.052 1243 K CB 0.476 33.034 32.500 0.096 0.000 0.861 1243 K HN 0.708 nan 8.250 nan 0.000 0.535 1244 S N -0.097 115.765 115.700 0.269 0.000 2.570 1244 S HA 0.604 5.074 4.470 0.000 0.000 0.270 1244 S C -0.928 173.898 174.600 0.375 0.000 1.149 1244 S CA -0.995 57.356 58.200 0.252 0.000 0.837 1244 S CB 1.932 65.182 63.200 0.083 0.000 1.124 1244 S HN -0.095 nan 8.310 nan 0.000 0.465 1245 I N 0.885 121.719 120.570 0.440 0.000 2.686 1245 I HA 0.893 5.063 4.170 0.000 0.000 0.295 1245 I C 0.504 176.818 176.117 0.328 0.000 1.114 1245 I CA -0.103 61.388 61.300 0.319 0.000 1.038 1245 I CB 1.592 39.747 38.000 0.259 0.000 1.238 1245 I HN 1.228 nan 8.210 nan 0.000 0.420 1246 G N 4.028 112.975 108.800 0.245 0.000 2.441 1246 G HA2 0.635 4.595 3.960 0.000 0.000 0.294 1246 G HA3 0.635 4.595 3.960 0.000 0.000 0.294 1246 G C -1.924 173.084 174.900 0.179 0.000 1.393 1246 G CA -0.775 44.470 45.100 0.241 0.000 0.796 1246 G HN 0.562 nan 8.290 nan 0.000 0.494 1247 R N -0.843 119.754 120.500 0.161 0.000 2.566 1247 R HA 0.695 5.035 4.340 0.000 0.000 0.271 1247 R C -1.649 174.710 176.300 0.099 0.000 1.071 1247 R CA -0.699 55.480 56.100 0.131 0.000 0.915 1247 R CB 1.688 32.079 30.300 0.152 0.000 1.228 1247 R HN 1.030 nan 8.270 nan 0.000 0.449 1248 I N 4.536 125.152 120.570 0.077 0.000 2.534 1248 I HA 0.638 4.808 4.170 0.000 0.000 0.288 1248 I C -1.378 174.771 176.117 0.053 0.000 1.077 1248 I CA -0.851 60.482 61.300 0.054 0.000 1.051 1248 I CB 1.884 39.903 38.000 0.031 0.000 1.234 1248 I HN 0.525 nan 8.210 nan 0.000 0.425 1249 V N 2.499 122.444 119.914 0.052 0.000 2.815 1249 V HA 0.647 4.767 4.120 0.000 0.000 0.314 1249 V C 0.018 176.114 176.094 0.002 0.000 1.064 1249 V CA -0.315 62.021 62.300 0.060 0.000 0.952 1249 V CB 1.550 33.449 31.823 0.127 0.000 1.020 1249 V HN 0.776 nan 8.190 nan 0.000 0.439 1250 T N 5.588 120.139 114.554 -0.005 0.000 2.856 1250 T HA 0.486 4.836 4.350 0.000 0.000 0.292 1250 T C 0.111 174.714 174.700 -0.162 0.000 0.980 1250 T CA -0.156 61.900 62.100 -0.075 0.000 1.091 1250 T CB 0.614 69.459 68.868 -0.038 0.000 0.936 1250 T HN 0.700 nan 8.240 nan 0.000 0.503 1251 M N 2.691 122.073 119.600 -0.363 0.000 2.255 1251 M HA 0.271 4.752 4.480 0.000 0.000 0.336 1251 M C 1.599 177.714 176.300 -0.309 0.000 1.135 1251 M CA -0.686 54.187 55.300 -0.711 0.000 1.145 1251 M CB 0.844 32.893 32.600 -0.919 0.000 1.473 1251 M HN 0.476 nan 8.290 nan 0.000 0.462 1252 K N 1.793 122.105 120.400 -0.147 0.000 2.044 1252 K HA -0.128 4.192 4.320 0.000 0.000 0.210 1252 K C 0.482 177.004 176.600 -0.130 0.000 1.049 1252 K CA 1.656 57.913 56.287 -0.050 0.000 0.927 1252 K CB 0.226 32.764 32.500 0.063 0.000 0.713 1252 K HN 0.724 nan 8.250 nan 0.000 0.443 1253 R N -0.779 119.641 120.500 -0.133 0.000 2.799 1253 R HA 0.352 4.692 4.340 0.000 0.000 0.270 1253 R C -0.939 175.278 176.300 -0.138 0.000 1.010 1253 R CA -0.965 55.056 56.100 -0.132 0.000 0.916 1253 R CB 0.488 30.735 30.300 -0.089 0.000 1.228 1253 R HN -0.182 nan 8.270 nan 0.000 0.469 1254 N N 0.431 119.066 118.700 -0.107 0.000 2.416 1254 N HA 0.157 4.897 4.740 0.000 0.000 0.246 1254 N C -0.617 174.848 175.510 -0.076 0.000 1.260 1254 N CA 0.201 53.195 53.050 -0.093 0.000 0.897 1254 N CB 1.155 39.605 38.487 -0.061 0.000 1.110 1254 N HN 0.607 nan 8.380 nan 0.000 0.439 1255 S N -0.526 115.131 115.700 -0.073 0.000 2.595 1255 S HA 0.463 4.933 4.470 0.000 0.000 0.270 1255 S C -0.758 173.813 174.600 -0.048 0.000 1.145 1255 S CA -0.722 57.445 58.200 -0.055 0.000 0.825 1255 S CB 0.988 64.153 63.200 -0.060 0.000 1.107 1255 S HN 0.616 nan 8.310 nan 0.000 0.461 1256 R N 1.118 121.598 120.500 -0.034 0.000 2.544 1256 R HA 0.258 4.598 4.340 0.000 0.000 0.426 1256 R C -0.309 175.978 176.300 -0.023 0.000 0.943 1256 R CA -0.241 55.841 56.100 -0.029 0.000 1.162 1256 R CB 0.390 30.676 30.300 -0.022 0.000 1.588 1256 R HN 0.548 nan 8.270 nan 0.000 0.563 1257 N N 1.874 120.561 118.700 -0.022 0.000 2.457 1257 N HA 0.038 4.779 4.740 0.000 0.000 0.250 1257 N C 0.922 176.421 175.510 -0.018 0.000 0.982 1257 N CA -0.073 52.969 53.050 -0.014 0.000 0.941 1257 N CB 1.387 39.870 38.487 -0.007 0.000 1.120 1257 N HN 0.035 nan 8.380 nan 0.000 0.505 1258 L N 4.533 125.745 121.223 -0.018 0.000 1.991 1258 L HA -0.235 4.105 4.340 0.000 0.000 0.221 1258 L C 1.999 178.846 176.870 -0.038 0.000 1.079 1258 L CA 1.942 56.766 54.840 -0.028 0.000 0.778 1258 L CB -0.206 41.846 42.059 -0.012 0.000 0.893 1258 L HN 0.605 nan 8.230 nan 0.000 0.437 1259 E N -0.604 119.587 120.200 -0.015 0.000 2.204 1259 E HA -0.263 4.087 4.350 0.000 0.000 0.194 1259 E C 2.066 178.660 176.600 -0.011 0.000 0.989 1259 E CA 1.311 57.706 56.400 -0.010 0.000 0.824 1259 E CB -0.224 29.483 29.700 0.013 0.000 0.756 1259 E HN 0.735 nan 8.360 nan 0.000 0.477 1260 E N 0.402 120.604 120.200 0.003 0.000 2.285 1260 E HA -0.055 4.295 4.350 0.000 0.000 0.194 1260 E C 1.903 178.556 176.600 0.087 0.000 0.997 1260 E CA 0.338 56.762 56.400 0.040 0.000 0.845 1260 E CB 0.114 29.834 29.700 0.035 0.000 0.782 1260 E HN 0.207 nan 8.360 nan 0.000 0.491 1261 I N 0.109 120.688 120.570 0.015 0.000 2.585 1261 I HA -0.100 4.070 4.170 0.000 0.000 0.254 1261 I C 2.258 178.333 176.117 -0.071 0.000 1.129 1261 I CA 0.305 61.611 61.300 0.010 0.000 1.455 1261 I CB -0.085 37.876 38.000 -0.065 0.000 1.111 1261 I HN -0.029 nan 8.210 nan 0.000 0.433 1262 K N 1.153 121.406 120.400 -0.246 0.000 2.034 1262 K HA -0.208 4.112 4.320 0.000 0.000 0.214 1262 K C -0.514 175.632 176.600 -0.756 0.000 1.051 1262 K CA 2.172 58.043 56.287 -0.695 0.000 0.931 1262 K CB -1.287 30.820 32.500 -0.655 0.000 0.715 1262 K HN 0.196 nan 8.250 nan 0.000 0.446 1263 P HA -0.206 nan 4.420 nan 0.000 0.216 1263 P C 0.878 178.068 177.300 -0.183 0.000 1.157 1263 P CA 1.565 64.559 63.100 -0.178 0.000 0.880 1263 P CB -0.084 31.492 31.700 -0.206 0.000 0.791 1264 Y N -1.418 118.803 120.300 -0.132 0.000 2.200 1264 Y HA -0.118 4.432 4.550 0.000 0.000 0.290 1264 Y C 2.330 178.176 175.900 -0.090 0.000 1.137 1264 Y CA 0.690 58.741 58.100 -0.082 0.000 1.163 1264 Y CB -1.215 37.199 38.460 -0.077 0.000 0.988 1264 Y HN -0.120 nan 8.280 nan 0.000 0.518 1265 L N -1.103 120.098 121.223 -0.037 0.000 2.093 1265 L HA -0.159 4.181 4.340 0.000 0.000 0.208 1265 L C 1.773 178.637 176.870 -0.010 0.000 1.085 1265 L CA 1.670 56.461 54.840 -0.081 0.000 0.755 1265 L CB -0.848 41.081 42.059 -0.217 0.000 0.904 1265 L HN 0.050 nan 8.230 nan 0.000 0.435 1266 F N -0.073 119.786 119.950 -0.152 0.000 2.206 1266 F HA -0.030 4.497 4.527 0.000 0.000 0.298 1266 F C 2.773 178.489 175.800 -0.141 0.000 1.090 1266 F CA 1.113 58.903 58.000 -0.350 0.000 1.323 1266 F CB -1.050 37.739 39.000 -0.353 0.000 1.028 1266 F HN 0.114 nan 8.300 nan 0.000 0.492 1267 R N 0.276 120.858 120.500 0.137 0.000 2.081 1267 R HA -0.114 4.226 4.340 0.000 0.000 0.235 1267 R C 2.340 178.722 176.300 0.136 0.000 1.131 1267 R CA 1.216 57.384 56.100 0.114 0.000 0.960 1267 R CB -0.386 29.947 30.300 0.055 0.000 0.856 1267 R HN 0.211 nan 8.270 nan 0.000 0.436 1268 A N 0.735 123.636 122.820 0.135 0.000 1.933 1268 A HA -0.147 4.173 4.320 0.000 0.000 0.218 1268 A C 2.076 179.796 177.584 0.227 0.000 1.175 1268 A CA 1.295 53.427 52.037 0.158 0.000 0.628 1268 A CB -0.409 18.667 19.000 0.127 0.000 0.814 1268 A HN 0.319 nan 8.150 nan 0.000 0.444 1269 I N -0.618 120.093 120.570 0.236 0.000 2.252 1269 I HA -0.176 3.994 4.170 0.000 0.000 0.245 1269 I C 2.497 178.835 176.117 0.368 0.000 1.102 1269 I CA 1.038 62.558 61.300 0.366 0.000 1.385 1269 I CB -0.258 37.896 38.000 0.256 0.000 1.064 1269 I HN 0.270 nan 8.210 nan 0.000 0.414 1270 E N 0.938 121.306 120.200 0.280 0.000 2.031 1270 E HA -0.232 4.118 4.350 0.000 0.000 0.193 1270 E C 2.070 178.826 176.600 0.259 0.000 0.994 1270 E CA 1.371 57.929 56.400 0.263 0.000 0.800 1270 E CB -0.276 29.543 29.700 0.199 0.000 0.752 1270 E HN 0.545 nan 8.360 nan 0.000 0.447 1271 E N 0.528 120.861 120.200 0.222 0.000 2.153 1271 E HA -0.109 4.241 4.350 0.000 0.000 0.194 1271 E C 2.210 178.955 176.600 0.243 0.000 0.988 1271 E CA 0.975 57.505 56.400 0.217 0.000 0.811 1271 E CB -0.004 29.798 29.700 0.170 0.000 0.746 1271 E HN 0.024 nan 8.360 nan 0.000 0.466 1272 S N 0.044 115.912 115.700 0.279 0.000 2.356 1272 S HA -0.147 4.323 4.470 0.000 0.000 0.223 1272 S C 1.638 176.340 174.600 0.169 0.000 1.032 1272 S CA 0.901 59.274 58.200 0.288 0.000 1.005 1272 S CB -0.251 63.257 63.200 0.514 0.000 0.867 1272 S HN 0.326 nan 8.310 nan 0.000 0.449 1273 Y N -0.372 119.984 120.300 0.093 0.000 2.516 1273 Y HA 0.010 4.560 4.550 0.000 0.000 0.291 1273 Y C 2.007 177.960 175.900 0.088 0.000 1.131 1273 Y CA 0.582 58.678 58.100 -0.007 0.000 1.281 1273 Y CB -0.039 38.416 38.460 -0.007 0.000 1.013 1273 Y HN 0.289 nan 8.280 nan 0.000 0.554 1274 Y N 0.541 120.907 120.300 0.110 0.000 2.231 1274 Y HA -0.078 4.472 4.550 0.000 0.000 0.294 1274 Y C 2.073 177.974 175.900 0.003 0.000 1.120 1274 Y CA 1.366 59.501 58.100 0.057 0.000 1.141 1274 Y CB -0.289 38.209 38.460 0.064 0.000 1.022 1274 Y HN -0.124 nan 8.280 nan 0.000 0.523 1275 K N 0.059 120.458 120.400 -0.002 0.000 2.218 1275 K HA -0.196 4.124 4.320 0.000 0.000 0.205 1275 K C 2.065 178.559 176.600 -0.177 0.000 1.046 1275 K CA 1.436 57.664 56.287 -0.099 0.000 0.933 1275 K CB -0.354 32.150 32.500 0.007 0.000 0.728 1275 K HN 0.354 nan 8.250 nan 0.000 0.454 1276 L N 0.655 121.755 121.223 -0.205 0.000 2.083 1276 L HA -0.175 4.165 4.340 0.000 0.000 0.209 1276 L C 0.212 176.904 176.870 -0.298 0.000 1.083 1276 L CA 0.820 55.471 54.840 -0.316 0.000 0.752 1276 L CB -0.558 41.191 42.059 -0.516 0.000 0.899 1276 L HN 0.376 nan 8.230 nan 0.000 0.433 1277 D N 1.147 121.397 120.400 -0.250 0.000 3.205 1277 D HA -0.229 4.411 4.640 0.000 0.000 0.227 1277 D C 0.354 176.549 176.300 -0.175 0.000 1.171 1277 D CA 0.591 54.460 54.000 -0.218 0.000 0.929 1277 D CB -0.338 40.318 40.800 -0.239 0.000 0.900 1277 D HN 0.388 nan 8.370 nan 0.000 0.404 1278 K N -0.861 119.464 120.400 -0.126 0.000 3.349 1278 K HA -0.278 4.042 4.320 0.000 0.000 0.310 1278 K C 0.070 176.602 176.600 -0.113 0.000 1.267 1278 K CA 1.215 57.449 56.287 -0.089 0.000 0.920 1278 K CB -1.350 31.110 32.500 -0.066 0.000 1.240 1278 K HN 0.598 nan 8.250 nan 0.000 0.453 1279 R N 0.846 121.233 120.500 -0.189 0.000 2.346 1279 R HA 0.409 4.749 4.340 0.000 0.000 0.311 1279 R C 0.201 176.433 176.300 -0.114 0.000 0.983 1279 R CA -0.797 55.182 56.100 -0.202 0.000 0.880 1279 R CB 0.926 30.945 30.300 -0.468 0.000 1.100 1279 R HN -0.039 nan 8.270 nan 0.000 0.453 1280 I N 5.233 125.825 120.570 0.037 0.000 2.330 1280 I HA 0.287 4.457 4.170 0.000 0.000 0.289 1280 I C -2.118 174.143 176.117 0.240 0.000 1.001 1280 I CA -3.247 58.108 61.300 0.092 0.000 1.193 1280 I CB 1.036 39.087 38.000 0.087 0.000 1.345 1280 I HN 0.333 nan 8.210 nan 0.000 0.461 1281 P HA 0.324 nan 4.420 nan 0.000 0.284 1281 P C -0.047 177.359 177.300 0.176 0.000 1.253 1281 P CA -0.493 62.735 63.100 0.214 0.000 0.800 1281 P CB 1.673 33.539 31.700 0.277 0.000 0.961 1282 K N 0.830 121.308 120.400 0.129 0.000 2.352 1282 K HA 0.307 4.627 4.320 0.000 0.000 0.194 1282 K C 0.690 177.421 176.600 0.218 0.000 1.038 1282 K CA 0.207 56.595 56.287 0.168 0.000 1.023 1282 K CB 0.564 33.140 32.500 0.126 0.000 0.840 1282 K HN 0.520 nan 8.250 nan 0.000 0.519 1283 A N 1.516 124.437 122.820 0.169 0.000 2.365 1283 A HA 0.668 4.988 4.320 0.000 0.000 0.318 1283 A C -1.235 176.460 177.584 0.184 0.000 1.091 1283 A CA -0.689 51.444 52.037 0.161 0.000 0.763 1283 A CB 1.099 20.156 19.000 0.095 0.000 1.248 1283 A HN 0.219 nan 8.150 nan 0.000 0.442 1284 I N 1.179 121.796 120.570 0.079 0.000 2.730 1284 I HA 0.567 4.737 4.170 0.000 0.000 0.298 1284 I C -1.525 174.449 176.117 -0.238 0.000 1.089 1284 I CA -0.491 60.748 61.300 -0.102 0.000 1.041 1284 I CB 1.803 39.786 38.000 -0.028 0.000 1.235 1284 I HN 0.735 nan 8.210 nan 0.000 0.423 1285 H N 6.269 125.212 119.070 -0.211 0.000 3.108 1285 H HA 0.306 4.862 4.556 0.000 0.000 0.329 1285 H C -1.226 174.020 175.328 -0.137 0.000 0.978 1285 H CA -0.422 55.550 56.048 -0.126 0.000 1.413 1285 H CB 2.269 31.972 29.762 -0.098 0.000 1.670 1285 H HN 0.293 nan 8.280 nan 0.000 0.512 1286 V N 4.938 124.846 119.914 -0.009 0.000 2.439 1286 V HA 0.052 4.172 4.120 0.000 0.000 0.271 1286 V C 0.400 176.502 176.094 0.015 0.000 1.040 1286 V CA -0.324 61.969 62.300 -0.012 0.000 1.002 1286 V CB 1.024 32.837 31.823 -0.016 0.000 1.000 1286 V HN 0.386 nan 8.190 nan 0.000 0.477 1287 V N 5.366 125.282 119.914 0.004 0.000 2.334 1287 V HA 0.664 4.784 4.120 0.000 0.000 0.281 1287 V C 0.468 176.556 176.094 -0.011 0.000 1.016 1287 V CA -0.527 61.774 62.300 0.002 0.000 0.832 1287 V CB 1.326 33.147 31.823 -0.002 0.000 0.999 1287 V HN 0.930 nan 8.190 nan 0.000 0.439 1288 A N 5.008 127.819 122.820 -0.015 0.000 2.301 1288 A HA 0.801 5.121 4.320 0.000 0.000 0.312 1288 A C -0.496 177.073 177.584 -0.025 0.000 1.182 1288 A CA -0.478 51.543 52.037 -0.027 0.000 0.826 1288 A CB 1.227 20.208 19.000 -0.030 0.000 1.134 1288 A HN 0.637 nan 8.150 nan 0.000 0.501 1289 V N 3.378 123.273 119.914 -0.032 0.000 2.347 1289 V HA 0.388 4.508 4.120 0.000 0.000 0.280 1289 V C 0.919 176.992 176.094 -0.034 0.000 1.021 1289 V CA -0.080 62.204 62.300 -0.028 0.000 0.847 1289 V CB 1.184 32.992 31.823 -0.025 0.000 0.990 1289 V HN 1.132 nan 8.190 nan 0.000 0.444 1290 T N 1.160 115.698 114.554 -0.027 0.000 2.698 1290 T HA 0.194 4.544 4.350 0.000 0.000 0.295 1290 T C 1.181 175.866 174.700 -0.026 0.000 1.007 1290 T CA -0.231 61.852 62.100 -0.028 0.000 0.980 1290 T CB 0.726 69.581 68.868 -0.021 0.000 1.036 1290 T HN 0.652 nan 8.240 nan 0.000 0.526 1291 E N 1.171 121.357 120.200 -0.024 0.000 2.136 1291 E HA -0.239 4.111 4.350 0.000 0.000 0.208 1291 E C 1.073 177.668 176.600 -0.008 0.000 1.035 1291 E CA 2.169 58.559 56.400 -0.016 0.000 0.838 1291 E CB -0.309 29.384 29.700 -0.011 0.000 0.748 1291 E HN 0.874 nan 8.360 nan 0.000 0.459 1292 D N -0.654 119.741 120.400 -0.007 0.000 2.427 1292 D HA 0.117 4.757 4.640 0.000 0.000 0.224 1292 D C 0.618 176.915 176.300 -0.004 0.000 1.157 1292 D CA -0.092 53.906 54.000 -0.003 0.000 0.828 1292 D CB -0.149 40.649 40.800 -0.004 0.000 0.974 1292 D HN 0.149 nan 8.370 nan 0.000 0.498 1293 L N -1.196 120.023 121.223 -0.007 0.000 4.625 1293 L HA -0.245 4.095 4.340 0.000 0.000 0.428 1293 L C -0.620 176.245 176.870 -0.008 0.000 1.129 1293 L CA 0.676 55.512 54.840 -0.007 0.000 0.978 1293 L CB -1.763 40.295 42.059 -0.002 0.000 2.043 1293 L HN 0.172 nan 8.230 nan 0.000 0.847 1294 D N 0.536 120.930 120.400 -0.010 0.000 2.358 1294 D HA 0.584 5.224 4.640 0.000 0.000 0.244 1294 D C 0.467 176.760 176.300 -0.013 0.000 1.163 1294 D CA 0.067 54.061 54.000 -0.010 0.000 0.945 1294 D CB 1.004 41.798 40.800 -0.010 0.000 1.152 1294 D HN 0.101 nan 8.370 nan 0.000 0.451 1295 I N 1.056 121.619 120.570 -0.013 0.000 2.447 1295 I HA 0.255 4.425 4.170 0.000 0.000 0.287 1295 I C -0.811 175.299 176.117 -0.012 0.000 1.023 1295 I CA -0.887 60.404 61.300 -0.013 0.000 1.083 1295 I CB 1.746 39.737 38.000 -0.015 0.000 1.245 1295 I HN -0.066 nan 8.210 nan 0.000 0.434 1296 V N 4.754 124.662 119.914 -0.010 0.000 2.459 1296 V HA 0.451 4.571 4.120 0.000 0.000 0.295 1296 V C -0.015 176.079 176.094 0.001 0.000 1.029 1296 V CA -0.358 61.939 62.300 -0.006 0.000 0.874 1296 V CB 1.953 33.771 31.823 -0.008 0.000 0.985 1296 V HN 0.816 nan 8.190 nan 0.000 0.438 1297 S N 6.405 122.112 115.700 0.013 0.000 2.594 1297 S HA 0.688 5.158 4.470 0.000 0.000 0.296 1297 S C -0.909 173.729 174.600 0.063 0.000 1.124 1297 S CA -0.906 57.318 58.200 0.040 0.000 1.011 1297 S CB 1.234 64.460 63.200 0.042 0.000 1.016 1297 S HN 0.610 nan 8.310 nan 0.000 0.485 1298 R N 2.635 123.169 120.500 0.056 0.000 2.494 1298 R HA 0.730 5.070 4.340 0.000 0.000 0.305 1298 R C 0.311 176.601 176.300 -0.017 0.000 0.959 1298 R CA -0.488 55.628 56.100 0.026 0.000 0.864 1298 R CB 1.382 31.679 30.300 -0.004 0.000 1.159 1298 R HN 0.848 nan 8.270 nan 0.000 0.446 1299 G N 0.743 109.459 108.800 -0.139 0.000 2.921 1299 G HA2 0.726 4.686 3.960 0.000 0.000 0.291 1299 G HA3 0.726 4.686 3.960 0.000 0.000 0.291 1299 G C -1.379 173.301 174.900 -0.365 0.000 1.370 1299 G CA -0.591 44.208 45.100 -0.503 0.000 0.847 1299 G HN 0.409 nan 8.290 nan 0.000 0.532 1300 R N -0.933 119.328 120.500 -0.399 0.000 2.644 1300 R HA 0.503 4.843 4.340 0.000 0.000 0.257 1300 R C -1.686 174.499 176.300 -0.191 0.000 1.082 1300 R CA -0.456 55.485 56.100 -0.266 0.000 0.927 1300 R CB 1.581 31.721 30.300 -0.267 0.000 1.258 1300 R HN 0.579 nan 8.270 nan 0.000 0.459 1301 T N 4.031 118.472 114.554 -0.188 0.000 2.794 1301 T HA 0.499 4.849 4.350 0.000 0.000 0.280 1301 T C -0.881 173.717 174.700 -0.169 0.000 0.987 1301 T CA -0.123 61.937 62.100 -0.066 0.000 0.993 1301 T CB 0.393 69.242 68.868 -0.031 0.000 0.939 1301 T HN 0.247 nan 8.240 nan 0.000 0.449 1302 F N 3.292 123.239 119.950 -0.006 0.000 2.425 1302 F HA 0.395 4.922 4.527 0.000 0.000 0.331 1302 F C -1.370 174.403 175.800 -0.044 0.000 1.085 1302 F CA -2.341 55.653 58.000 -0.010 0.000 1.028 1302 F CB 1.424 40.445 39.000 0.036 0.000 1.177 1302 F HN 0.397 nan 8.300 nan 0.000 0.487 1303 P HA 0.000 nan 4.420 nan 0.000 0.241 1303 P C -0.335 176.810 177.300 -0.258 0.000 1.191 1303 P CA 1.255 64.260 63.100 -0.158 0.000 0.771 1303 P CB 0.197 31.713 31.700 -0.307 0.000 0.929 1304 H N -1.734 117.435 119.070 0.164 0.000 3.043 1304 H HA 0.540 5.096 4.556 0.000 0.000 0.302 1304 H C 0.676 176.066 175.328 0.103 0.000 1.506 1304 H CA -0.944 55.170 56.048 0.110 0.000 1.282 1304 H CB 0.157 29.968 29.762 0.082 0.000 1.914 1304 H HN -0.171 nan 8.280 nan 0.000 0.625 1305 G N 0.112 109.038 108.800 0.211 0.000 2.569 1305 G HA2 0.417 4.377 3.960 0.000 0.000 0.249 1305 G HA3 0.417 4.377 3.960 0.000 0.000 0.249 1305 G C -0.238 174.694 174.900 0.053 0.000 1.216 1305 G CA -0.405 44.772 45.100 0.127 0.000 0.845 1305 G HN 0.385 nan 8.290 nan 0.000 0.568 1306 I N 1.351 121.956 120.570 0.059 0.000 2.330 1306 I HA 0.207 4.377 4.170 0.000 0.000 0.289 1306 I C 0.716 176.895 176.117 0.103 0.000 1.001 1306 I CA -0.503 60.797 61.300 -0.001 0.000 1.193 1306 I CB 1.646 39.700 38.000 0.091 0.000 1.345 1306 I HN 0.542 nan 8.210 nan 0.000 0.461 1307 S N 4.762 120.461 115.700 -0.001 0.000 2.617 1307 S HA 0.234 4.704 4.470 0.000 0.000 0.269 1307 S C 1.057 175.537 174.600 -0.199 0.000 1.292 1307 S CA -0.659 57.516 58.200 -0.042 0.000 1.010 1307 S CB 1.723 64.875 63.200 -0.080 0.000 0.944 1307 S HN 0.731 nan 8.310 nan 0.000 0.536 1308 K N 0.877 120.955 120.400 -0.537 0.000 2.127 1308 K HA -0.216 4.104 4.320 0.000 0.000 0.208 1308 K C 1.642 178.082 176.600 -0.267 0.000 1.047 1308 K CA 2.147 58.007 56.287 -0.711 0.000 0.927 1308 K CB -0.251 31.804 32.500 -0.741 0.000 0.716 1308 K HN 0.774 nan 8.250 nan 0.000 0.450 1309 E N -0.931 119.117 120.200 -0.254 0.000 2.152 1309 E HA -0.073 4.277 4.350 0.000 0.000 0.192 1309 E C 1.796 178.353 176.600 -0.071 0.000 0.983 1309 E CA 1.425 57.698 56.400 -0.211 0.000 0.818 1309 E CB 0.034 29.607 29.700 -0.212 0.000 0.758 1309 E HN 0.225 nan 8.360 nan 0.000 0.467 1310 T N 0.308 114.821 114.554 -0.069 0.000 2.951 1310 T HA -0.032 4.318 4.350 0.000 0.000 0.268 1310 T C 1.858 176.580 174.700 0.037 0.000 1.073 1310 T CA 0.958 63.028 62.100 -0.051 0.000 1.134 1310 T CB -0.140 68.624 68.868 -0.174 0.000 0.884 1310 T HN 0.260 nan 8.240 nan 0.000 0.479 1311 A N 0.375 123.260 122.820 0.109 0.000 1.854 1311 A HA -0.010 4.310 4.320 0.000 0.000 0.214 1311 A C 1.915 179.662 177.584 0.271 0.000 1.192 1311 A CA 1.128 53.328 52.037 0.272 0.000 0.611 1311 A CB -1.118 18.142 19.000 0.434 0.000 0.832 1311 A HN 0.523 nan 8.150 nan 0.000 0.442 1312 Y N 0.090 120.412 120.300 0.036 0.000 2.002 1312 Y HA -0.307 4.243 4.550 0.000 0.000 0.268 1312 Y C 3.267 179.212 175.900 0.074 0.000 1.177 1312 Y CA 2.095 60.183 58.100 -0.020 0.000 1.111 1312 Y CB -0.403 37.896 38.460 -0.269 0.000 0.952 1312 Y HN 0.361 nan 8.280 nan 0.000 0.491 1313 S N -0.628 115.193 115.700 0.201 0.000 2.370 1313 S HA -0.265 4.205 4.470 0.000 0.000 0.226 1313 S C 1.896 176.594 174.600 0.162 0.000 1.033 1313 S CA 1.844 60.135 58.200 0.151 0.000 1.011 1313 S CB -0.318 62.938 63.200 0.094 0.000 0.852 1313 S HN 0.485 nan 8.310 nan 0.000 0.457 1314 E N 0.589 120.893 120.200 0.172 0.000 2.318 1314 E HA 0.029 4.379 4.350 0.000 0.000 0.193 1314 E C 2.014 178.703 176.600 0.149 0.000 0.998 1314 E CA 1.073 57.584 56.400 0.185 0.000 0.859 1314 E CB -0.189 29.675 29.700 0.274 0.000 0.812 1314 E HN 0.588 nan 8.360 nan 0.000 0.492 1315 S N -1.105 114.689 115.700 0.155 0.000 2.461 1315 S HA -0.047 4.423 4.470 0.000 0.000 0.228 1315 S C 1.947 176.607 174.600 0.101 0.000 1.005 1315 S CA 0.774 59.041 58.200 0.112 0.000 0.942 1315 S CB -0.230 63.041 63.200 0.118 0.000 0.776 1315 S HN 0.103 nan 8.310 nan 0.000 0.514 1316 V N 2.332 122.340 119.914 0.156 0.000 2.307 1316 V HA -0.136 3.984 4.120 0.000 0.000 0.245 1316 V C 2.705 178.843 176.094 0.075 0.000 1.045 1316 V CA 1.926 64.299 62.300 0.122 0.000 1.024 1316 V CB -0.683 31.256 31.823 0.194 0.000 0.651 1316 V HN 0.482 nan 8.190 nan 0.000 0.449 1317 K N -0.011 120.441 120.400 0.085 0.000 2.009 1317 K HA -0.176 4.144 4.320 0.000 0.000 0.210 1317 K C 2.076 178.697 176.600 0.035 0.000 1.049 1317 K CA 1.617 57.940 56.287 0.060 0.000 0.929 1317 K CB -0.425 32.118 32.500 0.071 0.000 0.714 1317 K HN 0.352 nan 8.250 nan 0.000 0.440 1318 L N 0.723 121.965 121.223 0.033 0.000 2.201 1318 L HA -0.158 4.182 4.340 0.000 0.000 0.212 1318 L C 2.369 179.239 176.870 0.002 0.000 1.105 1318 L CA 0.256 55.100 54.840 0.008 0.000 0.775 1318 L CB -0.350 41.707 42.059 -0.003 0.000 0.913 1318 L HN 0.158 nan 8.230 nan 0.000 0.440 1319 L N -0.343 120.882 121.223 0.003 0.000 2.044 1319 L HA -0.180 4.160 4.340 0.000 0.000 0.205 1319 L C 2.510 179.374 176.870 -0.010 0.000 1.075 1319 L CA 1.698 56.531 54.840 -0.013 0.000 0.747 1319 L CB -0.616 41.424 42.059 -0.031 0.000 0.903 1319 L HN 0.200 nan 8.230 nan 0.000 0.435 1320 Q N -0.356 119.445 119.800 0.001 0.000 2.133 1320 Q HA -0.325 4.015 4.340 0.000 0.000 0.208 1320 Q C 2.292 178.292 176.000 0.000 0.000 0.991 1320 Q CA 2.472 58.277 55.803 0.003 0.000 0.867 1320 Q CB -0.195 28.552 28.738 0.015 0.000 0.911 1320 Q HN 0.515 nan 8.270 nan 0.000 0.417 1321 K N 0.415 120.816 120.400 0.001 0.000 2.097 1321 K HA -0.140 4.180 4.320 0.000 0.000 0.206 1321 K C 1.810 178.407 176.600 -0.006 0.000 1.049 1321 K CA 1.032 57.317 56.287 -0.003 0.000 0.933 1321 K CB -0.043 32.455 32.500 -0.005 0.000 0.717 1321 K HN 0.151 nan 8.250 nan 0.000 0.442 1322 I N 0.772 121.338 120.570 -0.008 0.000 2.179 1322 I HA -0.281 3.889 4.170 0.000 0.000 0.242 1322 I C 1.897 178.007 176.117 -0.012 0.000 1.088 1322 I CA 0.657 61.951 61.300 -0.010 0.000 1.357 1322 I CB -0.210 37.783 38.000 -0.013 0.000 1.051 1322 I HN 0.181 nan 8.210 nan 0.000 0.409 1323 L N 0.489 121.704 121.223 -0.013 0.000 2.042 1323 L HA -0.225 4.115 4.340 0.000 0.000 0.210 1323 L C 2.450 179.315 176.870 -0.009 0.000 1.076 1323 L CA 1.881 56.713 54.840 -0.013 0.000 0.749 1323 L CB -1.389 40.662 42.059 -0.014 0.000 0.893 1323 L HN 0.357 nan 8.230 nan 0.000 0.432 1324 E N -0.343 119.853 120.200 -0.007 0.000 2.153 1324 E HA -0.194 4.157 4.350 0.000 0.000 0.194 1324 E C 1.105 177.702 176.600 -0.006 0.000 0.988 1324 E CA 1.038 57.435 56.400 -0.005 0.000 0.811 1324 E CB 0.123 29.821 29.700 -0.003 0.000 0.746 1324 E HN 0.589 nan 8.360 nan 0.000 0.466 1325 E N -0.068 120.128 120.200 -0.006 0.000 2.603 1325 E HA 0.129 4.479 4.350 0.000 0.000 0.211 1325 E C -0.781 175.815 176.600 -0.007 0.000 0.995 1325 E CA -0.092 56.304 56.400 -0.006 0.000 0.990 1325 E CB 0.789 30.485 29.700 -0.006 0.000 1.036 1325 E HN -0.004 nan 8.360 nan 0.000 0.475 1326 D N 0.067 120.462 120.400 -0.008 0.000 2.990 1326 D HA 0.103 4.743 4.640 0.000 0.000 0.227 1326 D C 0.263 176.557 176.300 -0.011 0.000 1.249 1326 D CA -0.255 53.739 54.000 -0.010 0.000 0.891 1326 D CB 1.429 42.222 40.800 -0.011 0.000 1.647 1326 D HN -0.137 nan 8.370 nan 0.000 0.530 1327 E N 1.485 121.679 120.200 -0.010 0.000 2.371 1327 E HA 0.052 4.402 4.350 0.000 0.000 0.194 1327 E C 0.302 176.895 176.600 -0.012 0.000 1.012 1327 E CA 0.386 56.781 56.400 -0.010 0.000 0.860 1327 E CB 0.467 30.163 29.700 -0.008 0.000 0.811 1327 E HN 0.250 nan 8.360 nan 0.000 0.502 1328 R N 1.641 122.133 120.500 -0.013 0.000 2.615 1328 R HA 0.182 4.522 4.340 0.000 0.000 0.270 1328 R C 0.126 176.413 176.300 -0.021 0.000 1.081 1328 R CA -0.087 56.003 56.100 -0.015 0.000 1.154 1328 R CB 0.686 30.977 30.300 -0.015 0.000 1.063 1328 R HN -0.094 nan 8.270 nan 0.000 0.519 1329 K N 1.689 122.075 120.400 -0.023 0.000 2.270 1329 K HA 0.193 4.513 4.320 0.000 0.000 0.276 1329 K C -0.098 176.477 176.600 -0.041 0.000 1.023 1329 K CA -0.087 56.181 56.287 -0.032 0.000 0.955 1329 K CB 0.678 33.159 32.500 -0.031 0.000 0.975 1329 K HN 0.351 nan 8.250 nan 0.000 0.471 1330 I N 2.648 123.186 120.570 -0.054 0.000 2.395 1330 I HA 0.134 4.304 4.170 0.000 0.000 0.289 1330 I C 1.475 177.536 176.117 -0.094 0.000 1.023 1330 I CA -0.015 61.244 61.300 -0.068 0.000 1.350 1330 I CB 1.192 39.148 38.000 -0.072 0.000 1.409 1330 I HN 0.702 nan 8.210 nan 0.000 0.507 1331 R N 5.328 125.773 120.500 -0.091 0.000 2.164 1331 R HA 0.302 4.642 4.340 0.000 0.000 0.198 1331 R C 0.143 176.363 176.300 -0.133 0.000 1.028 1331 R CA 0.138 56.175 56.100 -0.106 0.000 1.083 1331 R CB 0.576 30.836 30.300 -0.067 0.000 1.026 1331 R HN 0.549 nan 8.270 nan 0.000 0.514 1332 R N 0.015 120.453 120.500 -0.102 0.000 2.803 1332 R HA 0.474 4.814 4.340 0.000 0.000 0.276 1332 R C -1.484 174.764 176.300 -0.085 0.000 0.978 1332 R CA -0.926 55.115 56.100 -0.099 0.000 0.939 1332 R CB 2.202 32.471 30.300 -0.053 0.000 1.179 1332 R HN 0.033 nan 8.270 nan 0.000 0.472 1333 I N 0.001 120.525 120.570 -0.077 0.000 2.802 1333 I HA 0.760 4.930 4.170 0.000 0.000 0.298 1333 I C -0.668 175.445 176.117 -0.008 0.000 1.176 1333 I CA -0.145 61.126 61.300 -0.049 0.000 1.025 1333 I CB 2.392 40.350 38.000 -0.070 0.000 1.243 1333 I HN 0.780 nan 8.210 nan 0.000 0.424 1334 G N 4.137 112.936 108.800 -0.001 0.000 2.494 1334 G HA2 0.607 4.567 3.960 0.000 0.000 0.308 1334 G HA3 0.607 4.567 3.960 0.000 0.000 0.308 1334 G C -2.174 172.730 174.900 0.006 0.000 1.263 1334 G CA -0.074 45.041 45.100 0.024 0.000 0.840 1334 G HN 0.974 nan 8.290 nan 0.000 0.479 1335 V N -0.592 119.328 119.914 0.011 0.000 3.048 1335 V HA 0.892 5.012 4.120 0.000 0.000 0.303 1335 V C -1.400 174.642 176.094 -0.087 0.000 1.214 1335 V CA -0.883 61.372 62.300 -0.076 0.000 0.984 1335 V CB 2.234 33.987 31.823 -0.116 0.000 1.054 1335 V HN 1.075 nan 8.190 nan 0.000 0.430 1336 R N 4.006 124.396 120.500 -0.184 0.000 2.502 1336 R HA 0.655 4.995 4.340 0.000 0.000 0.300 1336 R C -2.123 174.063 176.300 -0.190 0.000 0.984 1336 R CA -0.328 55.724 56.100 -0.080 0.000 0.882 1336 R CB 1.465 31.755 30.300 -0.017 0.000 1.180 1336 R HN 0.574 nan 8.270 nan 0.000 0.444 1337 F N 2.774 122.802 119.950 0.131 0.000 2.436 1337 F HA 0.534 5.061 4.527 0.000 0.000 0.340 1337 F C 0.412 176.168 175.800 -0.072 0.000 1.113 1337 F CA -0.050 58.008 58.000 0.097 0.000 1.022 1337 F CB 2.121 41.218 39.000 0.161 0.000 1.128 1337 F HN 0.652 nan 8.300 nan 0.000 0.466 1338 S N 0.730 116.380 115.700 -0.082 0.000 2.794 1338 S HA 0.618 5.088 4.470 0.000 0.000 0.299 1338 S C -0.992 173.255 174.600 -0.588 0.000 1.179 1338 S CA -1.347 56.559 58.200 -0.491 0.000 0.838 1338 S CB 1.612 64.699 63.200 -0.189 0.000 1.206 1338 S HN 0.582 nan 8.310 nan 0.000 0.523 1339 K N 0.451 120.529 120.400 -0.536 0.000 3.619 1339 K HA -0.140 4.180 4.320 0.000 0.000 0.275 1339 K C -1.124 175.347 176.600 -0.216 0.000 0.993 1339 K CA 0.264 56.392 56.287 -0.265 0.000 0.787 1339 K CB -2.017 30.431 32.500 -0.086 0.000 1.431 1339 K HN 0.422 nan 8.250 nan 0.000 0.451 1340 F N 0.659 120.648 119.950 0.065 0.000 2.435 1340 F HA 0.325 4.852 4.527 0.000 0.000 0.316 1340 F C 1.834 177.659 175.800 0.042 0.000 1.220 1340 F CA -0.641 57.386 58.000 0.044 0.000 1.241 1340 F CB 0.324 39.336 39.000 0.020 0.000 1.234 1340 F HN 0.037 nan 8.300 nan 0.000 0.569 1341 I N 0.000 120.719 120.570 0.248 0.000 2.984 1341 I HA 0.000 4.170 4.170 0.000 0.000 0.288 1341 I CA 0.000 61.387 61.300 0.145 0.000 1.566 1341 I CB 0.000 38.066 38.000 0.110 0.000 1.214 1341 I HN 0.000 nan 8.210 nan 0.000 0.494