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 1fp7_1_A DATA FIRST_RESID 1007 DATA SEQUENCE DIEIAQAAKM KPVMELARGL GIQEDEVELY GKYKAKISLD VYRRLKDKPD DATA SEQUENCE GKLILVTAIT PTPAGEGKTT TSVGLTDALA RLGKRVMVCL REPSLGPSFG DATA SEQUENCE IKGGAAGGGY AQVVPMEDIN LHFTGDIHAV TYAHNLLAAM VDNHLQQGNV DATA SEQUENCE LNIDPRTITW RRVIDLNDRA LRNIVIGLGG KANGVPRETG FDISVASEVM DATA SEQUENCE ACLCLASDLM DLKERFSRIV VGYTYDGKPV TAGDLEAQGS MALLMKDAIK DATA SEQUENCE PNLVQTLENT PAFIHGGPFA NIAHGCNSII ATKTALKLAD YVVTEAGFGA DATA SEQUENCE DLGAEKFYDV KCRYAGFKPD ATVIVATVRA LKMHGGVPKS DLATENLEAL DATA SEQUENCE REGFANLEKH IENIGKFGVP AVVAINAFPT DTEAELNLLY ELCAKAGAEV DATA SEQUENCE ALSXXWAKGG EGGLELARKV LQTLESRPSN FHVLYNLDLS IKDKIAKIAT DATA SEQUENCE EIYGADGVNY TAEADKAIQR YESLGYGNLP VVMAKTQYSF SDDMTKLGRP DATA SEQUENCE RNFTITVREV RLSAGGRLIV PITGAIMTMP GLPKRPAACN IDIDADGVIT DATA SEQUENCE G 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 1007 D HA 0.000 nan 4.640 nan 0.000 0.175 1007 D C 0.000 176.234 176.300 -0.110 0.000 2.045 1007 D CA 0.000 53.953 54.000 -0.078 0.000 0.868 1007 D CB 0.000 40.794 40.800 -0.011 0.000 0.688 1008 I N -1.271 119.234 120.570 -0.108 0.000 2.474 1008 I HA 0.512 4.682 4.170 0.001 0.000 0.294 1008 I C 1.230 177.273 176.117 -0.123 0.000 1.005 1008 I CA -0.579 60.680 61.300 -0.069 0.000 1.113 1008 I CB 1.878 39.859 38.000 -0.032 0.000 1.289 1008 I HN -0.250 nan 8.210 nan 0.000 0.436 1009 E N 4.268 124.413 120.200 -0.091 0.000 2.055 1009 E HA -0.285 4.066 4.350 0.001 0.000 0.209 1009 E C 1.715 178.245 176.600 -0.117 0.000 1.036 1009 E CA 2.359 58.689 56.400 -0.117 0.000 0.849 1009 E CB -0.135 29.549 29.700 -0.027 0.000 0.767 1009 E HN 0.856 nan 8.360 nan 0.000 0.461 1010 I N 0.638 121.162 120.570 -0.077 0.000 2.454 1010 I HA -0.161 4.009 4.170 0.001 0.000 0.254 1010 I C 1.518 177.586 176.117 -0.081 0.000 1.156 1010 I CA 0.792 62.048 61.300 -0.074 0.000 1.433 1010 I CB 0.008 37.974 38.000 -0.057 0.000 1.082 1010 I HN -0.020 nan 8.210 nan 0.000 0.432 1011 A N 0.684 123.452 122.820 -0.086 0.000 2.543 1011 A HA 0.172 4.493 4.320 0.001 0.000 0.258 1011 A C 0.633 178.148 177.584 -0.115 0.000 1.391 1011 A CA -0.009 51.979 52.037 -0.083 0.000 1.066 1011 A CB -0.486 18.474 19.000 -0.067 0.000 0.972 1011 A HN 0.651 nan 8.150 nan 0.000 0.560 1012 Q N -0.144 119.573 119.800 -0.139 0.000 2.706 1012 Q HA 0.332 4.673 4.340 0.001 0.000 0.335 1012 Q C -0.526 175.387 176.000 -0.145 0.000 0.796 1012 Q CA -0.110 55.585 55.803 -0.180 0.000 1.046 1012 Q CB 1.275 29.823 28.738 -0.317 0.000 1.448 1012 Q HN 0.495 nan 8.270 nan 0.000 0.385 1013 A N 0.833 123.589 122.820 -0.107 0.000 2.786 1013 A HA 0.791 5.112 4.320 0.001 0.000 0.346 1013 A C -0.440 177.088 177.584 -0.092 0.000 1.265 1013 A CA -0.290 51.688 52.037 -0.099 0.000 0.858 1013 A CB 0.389 19.339 19.000 -0.084 0.000 1.118 1013 A HN 0.338 nan 8.150 nan 0.000 0.482 1014 A N 1.631 124.397 122.820 -0.089 0.000 2.386 1014 A HA 0.789 5.110 4.320 0.001 0.000 0.311 1014 A C -0.007 177.530 177.584 -0.078 0.000 1.068 1014 A CA -0.886 51.106 52.037 -0.074 0.000 0.743 1014 A CB 0.628 19.599 19.000 -0.049 0.000 1.258 1014 A HN 0.946 nan 8.150 nan 0.000 0.429 1015 K N 0.483 120.837 120.400 -0.077 0.000 4.609 1015 K HA -0.165 4.155 4.320 0.001 0.000 0.563 1015 K C -0.706 175.849 176.600 -0.076 0.000 1.612 1015 K CA 1.663 57.910 56.287 -0.066 0.000 1.197 1015 K CB -1.041 31.444 32.500 -0.025 0.000 1.866 1015 K HN 0.726 nan 8.250 nan 0.000 0.266 1016 M N 3.214 122.752 119.600 -0.104 0.000 2.433 1016 M HA 0.386 4.867 4.480 0.001 0.000 0.290 1016 M C -0.354 176.019 176.300 0.123 0.000 1.173 1016 M CA -1.055 54.208 55.300 -0.061 0.000 0.905 1016 M CB 2.509 34.986 32.600 -0.205 0.000 1.692 1016 M HN 0.217 nan 8.290 nan 0.000 0.462 1017 K N 1.370 121.860 120.400 0.149 0.000 2.237 1017 K HA 0.439 4.759 4.320 0.001 0.000 0.270 1017 K C -2.540 174.213 176.600 0.255 0.000 1.015 1017 K CA -1.525 54.871 56.287 0.182 0.000 0.949 1017 K CB 0.170 32.724 32.500 0.089 0.000 0.976 1017 K HN 0.262 nan 8.250 nan 0.000 0.472 1018 P HA -0.116 nan 4.420 nan 0.000 0.264 1018 P C 0.948 178.249 177.300 0.001 0.000 1.193 1018 P CA -0.051 63.016 63.100 -0.055 0.000 0.763 1018 P CB 0.525 32.152 31.700 -0.121 0.000 0.810 1019 V N 1.420 121.333 119.914 -0.000 0.000 2.453 1019 V HA -0.277 3.843 4.120 0.001 0.000 0.252 1019 V C 1.888 177.979 176.094 -0.005 0.000 1.068 1019 V CA 1.703 64.014 62.300 0.019 0.000 1.070 1019 V CB -1.348 30.494 31.823 0.031 0.000 0.664 1019 V HN 0.420 nan 8.190 nan 0.000 0.461 1020 M N 0.575 120.158 119.600 -0.028 0.000 2.065 1020 M HA -0.190 4.291 4.480 0.001 0.000 0.259 1020 M C 2.326 178.620 176.300 -0.011 0.000 1.069 1020 M CA 2.539 57.827 55.300 -0.020 0.000 1.110 1020 M CB -1.086 31.493 32.600 -0.034 0.000 1.328 1020 M HN 0.713 nan 8.290 nan 0.000 0.405 1021 E N -0.021 120.172 120.200 -0.012 0.000 2.097 1021 E HA -0.227 4.124 4.350 0.001 0.000 0.196 1021 E C 2.086 178.688 176.600 0.002 0.000 1.000 1021 E CA 1.342 57.741 56.400 -0.002 0.000 0.804 1021 E CB -0.126 29.576 29.700 0.004 0.000 0.740 1021 E HN 0.515 nan 8.360 nan 0.000 0.454 1022 L N 0.151 121.376 121.223 0.004 0.000 2.093 1022 L HA -0.152 4.189 4.340 0.001 0.000 0.208 1022 L C 2.685 179.548 176.870 -0.012 0.000 1.085 1022 L CA 0.923 55.761 54.840 -0.004 0.000 0.755 1022 L CB -0.525 41.531 42.059 -0.006 0.000 0.904 1022 L HN 0.227 nan 8.230 nan 0.000 0.435 1023 A N 0.438 123.254 122.820 -0.008 0.000 1.845 1023 A HA -0.217 4.104 4.320 0.001 0.000 0.215 1023 A C 2.360 179.949 177.584 0.008 0.000 1.195 1023 A CA 1.541 53.578 52.037 0.001 0.000 0.616 1023 A CB -0.513 18.495 19.000 0.012 0.000 0.832 1023 A HN 0.269 nan 8.150 nan 0.000 0.443 1024 R N -0.858 119.645 120.500 0.006 0.000 2.096 1024 R HA -0.153 4.188 4.340 0.001 0.000 0.240 1024 R C 2.160 178.465 176.300 0.007 0.000 1.139 1024 R CA 1.421 57.526 56.100 0.007 0.000 0.952 1024 R CB -0.804 29.498 30.300 0.004 0.000 0.854 1024 R HN 0.531 nan 8.270 nan 0.000 0.436 1025 G N -0.182 108.621 108.800 0.004 0.000 2.708 1025 G HA2 -0.129 3.832 3.960 0.001 0.000 0.210 1025 G HA3 -0.129 3.832 3.960 0.001 0.000 0.210 1025 G C 1.012 175.916 174.900 0.005 0.000 1.141 1025 G CA 0.190 45.293 45.100 0.005 0.000 0.788 1025 G HN 0.101 nan 8.290 nan 0.000 0.531 1026 L N -1.281 119.946 121.223 0.006 0.000 2.685 1026 L HA 0.459 4.800 4.340 0.001 0.000 0.235 1026 L C 1.730 178.614 176.870 0.023 0.000 1.070 1026 L CA 1.287 56.133 54.840 0.010 0.000 0.888 1026 L CB 0.539 42.597 42.059 -0.002 0.000 1.203 1026 L HN 0.273 nan 8.230 nan 0.000 0.499 1027 G N -0.330 108.484 108.800 0.022 0.000 2.173 1027 G HA2 -0.119 3.841 3.960 0.001 0.000 0.142 1027 G HA3 -0.119 3.841 3.960 0.001 0.000 0.142 1027 G C 0.182 175.102 174.900 0.033 0.000 1.019 1027 G CA -0.116 45.000 45.100 0.026 0.000 0.699 1027 G HN 0.151 nan 8.290 nan 0.000 0.495 1028 I N 1.189 121.780 120.570 0.035 0.000 2.532 1028 I HA 0.384 4.555 4.170 0.001 0.000 0.292 1028 I C 0.753 176.887 176.117 0.029 0.000 1.014 1028 I CA -0.630 60.695 61.300 0.042 0.000 1.340 1028 I CB 1.103 39.134 38.000 0.051 0.000 1.422 1028 I HN 0.106 nan 8.210 nan 0.000 0.528 1029 Q N 3.072 122.889 119.800 0.029 0.000 2.193 1029 Q HA 0.178 4.518 4.340 0.001 0.000 0.246 1029 Q C 0.620 176.631 176.000 0.018 0.000 0.959 1029 Q CA -0.566 55.249 55.803 0.020 0.000 0.904 1029 Q CB 1.712 30.461 28.738 0.018 0.000 1.238 1029 Q HN 0.573 nan 8.270 nan 0.000 0.469 1030 E N 1.032 121.238 120.200 0.011 0.000 2.110 1030 E HA -0.230 4.120 4.350 0.001 0.000 0.193 1030 E C 0.972 177.578 176.600 0.010 0.000 0.988 1030 E CA 1.668 58.072 56.400 0.006 0.000 0.804 1030 E CB 0.150 29.850 29.700 -0.001 0.000 0.745 1030 E HN 0.688 nan 8.360 nan 0.000 0.458 1031 D N -0.020 120.387 120.400 0.011 0.000 2.378 1031 D HA -0.137 4.503 4.640 0.001 0.000 0.227 1031 D C 0.443 176.757 176.300 0.023 0.000 1.012 1031 D CA 0.602 54.610 54.000 0.013 0.000 0.905 1031 D CB -0.136 40.671 40.800 0.011 0.000 0.895 1031 D HN 0.316 nan 8.370 nan 0.000 0.532 1032 E N -0.298 119.920 120.200 0.031 0.000 2.569 1032 E HA 0.253 4.603 4.350 0.001 0.000 0.205 1032 E C -0.664 175.968 176.600 0.054 0.000 1.006 1032 E CA -0.234 56.193 56.400 0.045 0.000 0.985 1032 E CB 1.387 31.119 29.700 0.053 0.000 1.060 1032 E HN 0.034 nan 8.360 nan 0.000 0.460 1033 V N 0.941 120.880 119.914 0.043 0.000 2.789 1033 V HA 0.328 4.449 4.120 0.001 0.000 0.311 1033 V C -0.592 175.527 176.094 0.042 0.000 1.073 1033 V CA -0.797 61.532 62.300 0.049 0.000 0.921 1033 V CB 2.294 34.138 31.823 0.035 0.000 1.009 1033 V HN 0.065 nan 8.190 nan 0.000 0.426 1034 E N 3.188 123.430 120.200 0.070 0.000 2.325 1034 E HA 0.470 4.821 4.350 0.001 0.000 0.248 1034 E C -1.148 175.513 176.600 0.101 0.000 0.912 1034 E CA -0.441 55.996 56.400 0.062 0.000 0.782 1034 E CB 1.440 31.210 29.700 0.117 0.000 1.264 1034 E HN 0.584 nan 8.360 nan 0.000 0.417 1035 L N 3.637 124.856 121.223 -0.007 0.000 2.456 1035 L HA 0.121 4.462 4.340 0.001 0.000 0.272 1035 L C -0.670 176.122 176.870 -0.129 0.000 1.189 1035 L CA 0.254 55.087 54.840 -0.011 0.000 0.846 1035 L CB 0.317 42.337 42.059 -0.066 0.000 1.111 1035 L HN 0.647 nan 8.230 nan 0.000 0.475 1036 Y N 2.278 122.535 120.300 -0.072 0.000 2.662 1036 Y HA 0.467 5.017 4.550 0.001 0.000 0.358 1036 Y C 0.659 176.529 175.900 -0.050 0.000 1.041 1036 Y CA -0.042 58.016 58.100 -0.069 0.000 1.184 1036 Y CB 1.125 39.518 38.460 -0.112 0.000 1.114 1036 Y HN 0.780 nan 8.280 nan 0.000 0.650 1037 G N 1.547 110.351 108.800 0.008 0.000 2.757 1037 G HA2 -0.215 3.746 3.960 0.001 0.000 0.638 1037 G HA3 -0.215 3.746 3.960 0.001 0.000 0.638 1037 G C 0.326 175.168 174.900 -0.097 0.000 1.344 1037 G CA -0.883 44.218 45.100 0.002 0.000 0.855 1037 G HN 0.241 nan 8.290 nan 0.000 0.537 1038 K N -0.279 119.962 120.400 -0.265 0.000 2.525 1038 K HA 0.112 4.433 4.320 0.001 0.000 0.192 1038 K C 0.763 176.835 176.600 -0.880 0.000 1.029 1038 K CA 1.154 57.064 56.287 -0.628 0.000 1.029 1038 K CB -0.108 31.846 32.500 -0.910 0.000 0.814 1038 K HN 0.628 nan 8.250 nan 0.000 0.503 1039 Y N -0.382 119.937 120.300 0.032 0.000 2.738 1039 Y HA 0.323 4.874 4.550 0.001 0.000 0.249 1039 Y C -0.135 175.787 175.900 0.035 0.000 1.157 1039 Y CA -0.579 57.542 58.100 0.034 0.000 1.189 1039 Y CB 0.908 39.391 38.460 0.039 0.000 1.262 1039 Y HN -0.253 nan 8.280 nan 0.000 0.554 1040 K N 1.277 121.744 120.400 0.111 0.000 2.482 1040 K HA 0.847 5.168 4.320 0.001 0.000 0.251 1040 K C -1.217 175.421 176.600 0.064 0.000 0.936 1040 K CA -0.695 55.617 56.287 0.040 0.000 0.791 1040 K CB 2.341 34.813 32.500 -0.047 0.000 1.213 1040 K HN 0.069 nan 8.250 nan 0.000 0.428 1041 A N 2.704 125.539 122.820 0.025 0.000 2.475 1041 A HA 0.571 4.892 4.320 0.001 0.000 0.301 1041 A C -1.344 176.264 177.584 0.040 0.000 1.059 1041 A CA -0.832 51.252 52.037 0.078 0.000 0.710 1041 A CB 1.358 20.398 19.000 0.066 0.000 1.288 1041 A HN 0.496 nan 8.150 nan 0.000 0.408 1042 K N 2.501 122.954 120.400 0.088 0.000 2.367 1042 K HA 0.437 4.758 4.320 0.001 0.000 0.263 1042 K C -1.028 175.619 176.600 0.079 0.000 1.000 1042 K CA -0.139 56.169 56.287 0.036 0.000 0.891 1042 K CB 1.218 33.746 32.500 0.048 0.000 1.117 1042 K HN 0.663 nan 8.250 nan 0.000 0.443 1043 I N 1.843 122.470 120.570 0.095 0.000 2.352 1043 I HA 0.051 4.222 4.170 0.001 0.000 0.290 1043 I C 0.923 177.092 176.117 0.086 0.000 1.036 1043 I CA -0.265 61.105 61.300 0.117 0.000 1.336 1043 I CB 1.246 39.371 38.000 0.208 0.000 1.407 1043 I HN 0.392 nan 8.210 nan 0.000 0.497 1044 S N 4.614 120.360 115.700 0.078 0.000 2.558 1044 S HA 0.041 4.512 4.470 0.001 0.000 0.288 1044 S C 1.032 175.681 174.600 0.082 0.000 1.318 1044 S CA -0.446 57.795 58.200 0.068 0.000 1.056 1044 S CB 0.462 63.697 63.200 0.059 0.000 0.853 1044 S HN 0.414 nan 8.310 nan 0.000 0.505 1045 L N 3.179 124.447 121.223 0.075 0.000 2.622 1045 L HA -0.001 4.340 4.340 0.001 0.000 0.233 1045 L C 1.743 178.694 176.870 0.135 0.000 1.156 1045 L CA 1.042 55.942 54.840 0.100 0.000 0.866 1045 L CB -0.339 41.765 42.059 0.074 0.000 0.980 1045 L HN 0.640 nan 8.230 nan 0.000 0.448 1046 D N -1.173 119.285 120.400 0.097 0.000 2.149 1046 D HA -0.117 4.524 4.640 0.001 0.000 0.201 1046 D C 2.265 178.609 176.300 0.074 0.000 0.972 1046 D CA 1.002 55.046 54.000 0.074 0.000 0.835 1046 D CB 0.196 41.026 40.800 0.050 0.000 0.966 1046 D HN 0.158 nan 8.370 nan 0.000 0.476 1047 V N 1.376 121.347 119.914 0.096 0.000 2.220 1047 V HA -0.327 3.793 4.120 0.001 0.000 0.250 1047 V C 2.331 178.479 176.094 0.089 0.000 1.056 1047 V CA 1.999 64.357 62.300 0.097 0.000 1.016 1047 V CB -0.821 31.085 31.823 0.139 0.000 0.639 1047 V HN 0.217 nan 8.190 nan 0.000 0.446 1048 Y N 1.051 121.381 120.300 0.049 0.000 2.114 1048 Y HA -0.269 4.281 4.550 0.001 0.000 0.284 1048 Y C 2.772 178.691 175.900 0.031 0.000 1.143 1048 Y CA 2.304 60.430 58.100 0.045 0.000 1.135 1048 Y CB -0.450 38.033 38.460 0.039 0.000 0.980 1048 Y HN 0.051 nan 8.280 nan 0.000 0.499 1049 R N 0.701 121.169 120.500 -0.053 0.000 2.154 1049 R HA -0.232 4.109 4.340 0.001 0.000 0.248 1049 R C 2.299 178.493 176.300 -0.177 0.000 1.155 1049 R CA 2.078 58.109 56.100 -0.115 0.000 0.979 1049 R CB -0.238 30.088 30.300 0.043 0.000 0.869 1049 R HN 0.623 nan 8.270 nan 0.000 0.452 1050 R N -0.685 119.738 120.500 -0.129 0.000 2.254 1050 R HA 0.068 4.409 4.340 0.001 0.000 0.195 1050 R C 0.847 177.070 176.300 -0.129 0.000 0.957 1050 R CA 0.484 56.525 56.100 -0.099 0.000 1.024 1050 R CB 0.179 30.453 30.300 -0.043 0.000 0.952 1050 R HN 0.189 nan 8.270 nan 0.000 0.484 1051 L N 1.630 122.738 121.223 -0.192 0.000 3.108 1051 L HA 0.328 4.669 4.340 0.001 0.000 0.251 1051 L C 1.345 178.055 176.870 -0.267 0.000 1.315 1051 L CA -0.237 54.504 54.840 -0.165 0.000 1.048 1051 L CB 0.648 42.659 42.059 -0.080 0.000 1.432 1051 L HN 0.177 nan 8.230 nan 0.000 0.543 1052 K N 0.005 120.195 120.400 -0.349 0.000 2.305 1052 K HA -0.062 4.258 4.320 0.001 0.000 0.199 1052 K C 0.775 177.296 176.600 -0.132 0.000 1.047 1052 K CA 0.832 56.910 56.287 -0.348 0.000 0.976 1052 K CB 0.463 32.744 32.500 -0.366 0.000 0.765 1052 K HN 0.234 nan 8.250 nan 0.000 0.474 1053 D N 0.963 121.304 120.400 -0.098 0.000 2.347 1053 D HA -0.031 4.610 4.640 0.001 0.000 0.213 1053 D C -0.155 176.126 176.300 -0.030 0.000 0.985 1053 D CA 0.658 54.629 54.000 -0.049 0.000 0.879 1053 D CB 0.254 41.028 40.800 -0.043 0.000 0.919 1053 D HN 0.011 nan 8.370 nan 0.000 0.526 1054 K N 2.187 122.566 120.400 -0.035 0.000 2.218 1054 K HA 0.254 4.575 4.320 0.001 0.000 0.276 1054 K C -2.038 174.563 176.600 0.002 0.000 1.022 1054 K CA -1.884 54.393 56.287 -0.016 0.000 0.946 1054 K CB 0.226 32.717 32.500 -0.016 0.000 1.000 1054 K HN 0.051 nan 8.250 nan 0.000 0.468 1055 P HA 0.092 nan 4.420 nan 0.000 0.274 1055 P C -0.587 176.728 177.300 0.025 0.000 1.260 1055 P CA -0.228 62.882 63.100 0.017 0.000 0.793 1055 P CB 0.649 32.352 31.700 0.006 0.000 1.048 1056 D N -0.882 119.541 120.400 0.037 0.000 2.312 1056 D HA 0.300 4.940 4.640 0.001 0.000 0.248 1056 D C 1.076 177.367 176.300 -0.015 0.000 1.086 1056 D CA -0.131 53.891 54.000 0.037 0.000 0.948 1056 D CB 0.953 41.792 40.800 0.065 0.000 1.162 1056 D HN 0.417 nan 8.370 nan 0.000 0.446 1057 G N 0.353 109.129 108.800 -0.041 0.000 2.580 1057 G HA2 0.114 4.074 3.960 0.001 0.000 0.225 1057 G HA3 0.114 4.074 3.960 0.001 0.000 0.225 1057 G C -0.024 174.820 174.900 -0.094 0.000 1.521 1057 G CA -0.227 44.804 45.100 -0.116 0.000 1.068 1057 G HN 0.184 nan 8.290 nan 0.000 0.564 1058 K N 0.255 120.590 120.400 -0.107 0.000 2.265 1058 K HA 0.373 4.693 4.320 0.001 0.000 0.267 1058 K C -1.124 175.508 176.600 0.052 0.000 0.994 1058 K CA -0.706 55.587 56.287 0.010 0.000 0.860 1058 K CB 1.827 34.396 32.500 0.115 0.000 1.099 1058 K HN 0.188 nan 8.250 nan 0.000 0.448 1059 L N 4.882 126.115 121.223 0.016 0.000 2.276 1059 L HA 0.411 4.752 4.340 0.001 0.000 0.286 1059 L C -0.683 176.213 176.870 0.044 0.000 1.061 1059 L CA -0.132 54.704 54.840 -0.006 0.000 0.807 1059 L CB 0.371 42.382 42.059 -0.081 0.000 1.177 1059 L HN 0.487 nan 8.230 nan 0.000 0.429 1060 I N 6.253 126.843 120.570 0.032 0.000 2.382 1060 I HA 0.313 4.484 4.170 0.001 0.000 0.286 1060 I C -0.825 175.260 176.117 -0.054 0.000 1.002 1060 I CA -0.609 60.703 61.300 0.020 0.000 1.135 1060 I CB 1.673 39.687 38.000 0.023 0.000 1.288 1060 I HN 0.469 nan 8.210 nan 0.000 0.448 1061 L N 8.464 129.635 121.223 -0.085 0.000 2.295 1061 L HA 0.672 5.013 4.340 0.001 0.000 0.285 1061 L C -0.675 176.073 176.870 -0.204 0.000 1.035 1061 L CA -0.315 54.347 54.840 -0.296 0.000 0.806 1061 L CB 1.643 43.383 42.059 -0.533 0.000 1.214 1061 L HN 0.445 nan 8.230 nan 0.000 0.426 1062 V N 5.372 125.148 119.914 -0.231 0.000 2.459 1062 V HA 0.781 4.902 4.120 0.001 0.000 0.295 1062 V C -0.359 175.624 176.094 -0.186 0.000 1.029 1062 V CA 0.391 62.600 62.300 -0.152 0.000 0.874 1062 V CB 1.624 33.382 31.823 -0.107 0.000 0.985 1062 V HN 1.030 nan 8.190 nan 0.000 0.438 1063 T N 4.196 118.667 114.554 -0.137 0.000 2.654 1063 T HA 0.924 5.275 4.350 0.001 0.000 0.289 1063 T C -0.611 174.020 174.700 -0.116 0.000 1.062 1063 T CA 0.178 62.194 62.100 -0.141 0.000 1.041 1063 T CB 1.783 70.568 68.868 -0.139 0.000 1.417 1063 T HN 1.564 nan 8.240 nan 0.000 0.510 1064 A N 0.351 123.083 122.820 -0.147 0.000 2.524 1064 A HA 0.855 5.176 4.320 0.001 0.000 0.289 1064 A C -0.620 176.752 177.584 -0.353 0.000 1.248 1064 A CA -0.838 51.092 52.037 -0.179 0.000 0.712 1064 A CB 0.473 19.395 19.000 -0.129 0.000 1.312 1064 A HN 1.026 nan 8.150 nan 0.000 0.441 1065 I N -2.032 118.325 120.570 -0.354 0.000 3.021 1065 I HA 0.477 4.648 4.170 0.001 0.000 0.303 1065 I C 0.295 176.193 176.117 -0.364 0.000 1.044 1065 I CA -0.373 60.590 61.300 -0.560 0.000 1.266 1065 I CB 0.489 38.346 38.000 -0.238 0.000 1.447 1065 I HN 0.454 nan 8.210 nan 0.000 0.593 1066 T N 5.215 119.579 114.554 -0.316 0.000 2.666 1066 T HA 0.053 4.404 4.350 0.001 0.000 0.265 1066 T C -2.111 172.612 174.700 0.037 0.000 1.009 1066 T CA -0.252 61.738 62.100 -0.183 0.000 1.238 1066 T CB -0.783 67.898 68.868 -0.311 0.000 0.969 1066 T HN 0.504 nan 8.240 nan 0.000 0.515 1067 P HA 0.146 nan 4.420 nan 0.000 0.269 1067 P C -0.097 177.296 177.300 0.154 0.000 1.209 1067 P CA -0.218 62.901 63.100 0.032 0.000 0.776 1067 P CB 0.640 32.338 31.700 -0.004 0.000 0.876 1068 T N -1.823 112.774 114.554 0.071 0.000 2.864 1068 T HA 0.513 4.863 4.350 0.001 0.000 0.289 1068 T C -2.060 172.615 174.700 -0.041 0.000 1.082 1068 T CA -1.818 60.273 62.100 -0.016 0.000 1.009 1068 T CB 1.299 70.047 68.868 -0.199 0.000 1.234 1068 T HN 0.192 nan 8.240 nan 0.000 0.526 1069 P HA 0.198 nan 4.420 nan 0.000 0.242 1069 P C 0.757 177.984 177.300 -0.122 0.000 1.197 1069 P CA 0.120 63.139 63.100 -0.135 0.000 0.765 1069 P CB -0.280 31.297 31.700 -0.205 0.000 0.936 1070 A N -0.016 122.719 122.820 -0.143 0.000 2.411 1070 A HA 0.532 4.853 4.320 0.001 0.000 0.251 1070 A C 1.094 178.577 177.584 -0.167 0.000 1.317 1070 A CA 0.259 52.198 52.037 -0.164 0.000 0.904 1070 A CB -1.096 17.787 19.000 -0.195 0.000 0.993 1070 A HN 0.346 nan 8.150 nan 0.000 0.504 1071 G N -0.293 108.436 108.800 -0.118 0.000 2.888 1071 G HA2 -0.026 3.934 3.960 0.001 0.000 0.441 1071 G HA3 -0.026 3.934 3.960 0.001 0.000 0.441 1071 G C -0.047 174.789 174.900 -0.107 0.000 1.461 1071 G CA 0.543 45.580 45.100 -0.105 0.000 0.897 1071 G HN 0.920 nan 8.290 nan 0.000 0.547 1072 E N -2.314 117.834 120.200 -0.086 0.000 2.384 1072 E HA 0.432 4.783 4.350 0.001 0.000 0.274 1072 E C 1.220 177.788 176.600 -0.054 0.000 1.095 1072 E CA 0.921 57.279 56.400 -0.071 0.000 1.979 1072 E CB -0.712 28.953 29.700 -0.058 0.000 2.946 1072 E HN 2.567 nan 8.360 nan 0.000 1.059 1073 G N 2.127 110.897 108.800 -0.049 0.000 2.940 1073 G HA2 -0.264 3.697 3.960 0.001 0.000 0.273 1073 G HA3 -0.264 3.697 3.960 0.001 0.000 0.273 1073 G C 0.155 175.038 174.900 -0.028 0.000 1.030 1073 G CA 0.445 45.522 45.100 -0.038 0.000 1.066 1073 G HN 0.241 nan 8.290 nan 0.000 0.466 1074 K N 0.495 120.870 120.400 -0.041 0.000 2.020 1074 K HA 0.017 4.338 4.320 0.001 0.000 0.206 1074 K C 2.716 179.293 176.600 -0.038 0.000 1.038 1074 K CA 1.469 57.725 56.287 -0.052 0.000 0.947 1074 K CB -0.148 32.303 32.500 -0.081 0.000 0.744 1074 K HN 0.428 nan 8.250 nan 0.000 0.442 1075 T N 0.947 115.477 114.554 -0.041 0.000 2.737 1075 T HA -0.156 4.195 4.350 0.001 0.000 0.269 1075 T C 1.710 176.415 174.700 0.008 0.000 1.040 1075 T CA 1.970 64.053 62.100 -0.028 0.000 1.142 1075 T CB -0.460 68.387 68.868 -0.035 0.000 0.861 1075 T HN 0.377 nan 8.240 nan 0.000 0.456 1076 T N 1.642 116.221 114.554 0.041 0.000 2.653 1076 T HA -0.165 4.186 4.350 0.001 0.000 0.268 1076 T C 2.227 176.974 174.700 0.079 0.000 1.035 1076 T CA 1.924 64.084 62.100 0.101 0.000 1.154 1076 T CB -0.718 68.257 68.868 0.178 0.000 0.862 1076 T HN 0.433 nan 8.240 nan 0.000 0.441 1077 T N 1.696 116.281 114.554 0.051 0.000 2.777 1077 T HA -0.070 4.280 4.350 0.001 0.000 0.266 1077 T C 2.438 177.145 174.700 0.010 0.000 1.040 1077 T CA 1.323 63.444 62.100 0.035 0.000 1.141 1077 T CB -0.395 68.485 68.868 0.019 0.000 0.868 1077 T HN 0.349 nan 8.240 nan 0.000 0.444 1078 S N 1.142 116.837 115.700 -0.008 0.000 2.365 1078 S HA -0.121 4.349 4.470 0.001 0.000 0.225 1078 S C 2.282 176.876 174.600 -0.011 0.000 1.039 1078 S CA 1.157 59.342 58.200 -0.024 0.000 1.033 1078 S CB -0.596 62.580 63.200 -0.040 0.000 0.887 1078 S HN 0.300 nan 8.310 nan 0.000 0.447 1079 V N 1.490 121.405 119.914 0.001 0.000 2.346 1079 V HA -0.032 4.088 4.120 0.001 0.000 0.244 1079 V C 2.693 178.794 176.094 0.011 0.000 1.037 1079 V CA 1.760 64.063 62.300 0.005 0.000 1.029 1079 V CB -1.541 30.288 31.823 0.009 0.000 0.663 1079 V HN 0.574 nan 8.190 nan 0.000 0.454 1080 G N 0.354 109.168 108.800 0.025 0.000 2.440 1080 G HA2 -0.275 3.685 3.960 0.001 0.000 0.218 1080 G HA3 -0.275 3.685 3.960 0.001 0.000 0.218 1080 G C 1.608 176.512 174.900 0.007 0.000 1.154 1080 G CA 1.276 46.392 45.100 0.026 0.000 0.767 1080 G HN 0.440 nan 8.290 nan 0.000 0.552 1081 L N 1.167 122.391 121.223 0.001 0.000 2.012 1081 L HA -0.065 4.275 4.340 0.001 0.000 0.210 1081 L C 2.817 179.671 176.870 -0.026 0.000 1.073 1081 L CA 2.859 57.689 54.840 -0.016 0.000 0.748 1081 L CB -1.207 40.839 42.059 -0.021 0.000 0.891 1081 L HN 0.212 nan 8.230 nan 0.000 0.431 1082 T N -0.175 114.369 114.554 -0.016 0.000 2.569 1082 T HA -0.210 4.140 4.350 0.001 0.000 0.263 1082 T C 1.547 176.238 174.700 -0.015 0.000 1.074 1082 T CA 1.659 63.752 62.100 -0.013 0.000 1.176 1082 T CB -0.618 68.248 68.868 -0.002 0.000 0.863 1082 T HN 0.398 nan 8.240 nan 0.000 0.410 1083 D N 1.223 121.618 120.400 -0.008 0.000 2.220 1083 D HA -0.117 4.523 4.640 0.001 0.000 0.198 1083 D C 2.188 178.479 176.300 -0.016 0.000 1.001 1083 D CA 1.338 55.334 54.000 -0.008 0.000 0.875 1083 D CB -0.421 40.378 40.800 -0.001 0.000 0.921 1083 D HN 0.455 nan 8.370 nan 0.000 0.454 1084 A N 0.283 123.090 122.820 -0.023 0.000 1.872 1084 A HA -0.049 4.272 4.320 0.001 0.000 0.214 1084 A C 2.414 179.969 177.584 -0.049 0.000 1.187 1084 A CA 0.567 52.585 52.037 -0.032 0.000 0.614 1084 A CB -0.678 18.302 19.000 -0.032 0.000 0.826 1084 A HN 0.198 nan 8.150 nan 0.000 0.442 1085 L N -0.569 120.615 121.223 -0.065 0.000 2.079 1085 L HA -0.239 4.102 4.340 0.001 0.000 0.210 1085 L C 3.087 179.921 176.870 -0.060 0.000 1.081 1085 L CA 1.087 55.864 54.840 -0.106 0.000 0.752 1085 L CB -0.518 41.455 42.059 -0.144 0.000 0.896 1085 L HN 0.468 nan 8.230 nan 0.000 0.433 1086 A N 0.161 122.965 122.820 -0.027 0.000 1.902 1086 A HA -0.211 4.109 4.320 0.001 0.000 0.217 1086 A C 2.345 179.925 177.584 -0.008 0.000 1.181 1086 A CA 1.493 53.528 52.037 -0.004 0.000 0.623 1086 A CB -0.450 18.550 19.000 0.000 0.000 0.818 1086 A HN 0.329 nan 8.150 nan 0.000 0.443 1087 R N -0.614 119.876 120.500 -0.018 0.000 2.120 1087 R HA 0.018 4.359 4.340 0.001 0.000 0.234 1087 R C 1.429 177.718 176.300 -0.018 0.000 1.123 1087 R CA 1.136 57.226 56.100 -0.018 0.000 0.975 1087 R CB -0.436 29.850 30.300 -0.023 0.000 0.866 1087 R HN 0.467 nan 8.270 nan 0.000 0.446 1088 L N -0.011 121.195 121.223 -0.028 0.000 2.650 1088 L HA 0.079 4.420 4.340 0.001 0.000 0.235 1088 L C 1.090 177.954 176.870 -0.011 0.000 1.149 1088 L CA 0.500 55.323 54.840 -0.028 0.000 0.887 1088 L CB 0.018 42.045 42.059 -0.053 0.000 1.021 1088 L HN 0.534 nan 8.230 nan 0.000 0.441 1089 G N -1.030 107.771 108.800 0.002 0.000 2.175 1089 G HA2 -0.225 3.736 3.960 0.001 0.000 0.244 1089 G HA3 -0.225 3.736 3.960 0.001 0.000 0.244 1089 G C 0.300 175.231 174.900 0.052 0.000 0.982 1089 G CA -0.307 44.807 45.100 0.022 0.000 0.641 1089 G HN 0.180 nan 8.290 nan 0.000 0.527 1090 K N 0.433 120.869 120.400 0.060 0.000 2.258 1090 K HA 0.348 4.668 4.320 0.001 0.000 0.264 1090 K C 0.565 177.261 176.600 0.159 0.000 1.007 1090 K CA -0.607 55.775 56.287 0.159 0.000 0.941 1090 K CB 0.742 33.309 32.500 0.112 0.000 0.966 1090 K HN 0.337 nan 8.250 nan 0.000 0.480 1091 R N 1.752 122.371 120.500 0.200 0.000 2.205 1091 R HA 0.266 4.607 4.340 0.001 0.000 0.342 1091 R C -0.765 175.631 176.300 0.160 0.000 1.058 1091 R CA -0.230 55.941 56.100 0.118 0.000 0.904 1091 R CB 0.395 30.731 30.300 0.060 0.000 1.089 1091 R HN 0.375 nan 8.270 nan 0.000 0.471 1092 V N 4.964 124.950 119.914 0.120 0.000 3.159 1092 V HA 0.621 4.741 4.120 0.001 0.000 0.308 1092 V C -1.139 174.990 176.094 0.058 0.000 1.190 1092 V CA -0.777 61.597 62.300 0.123 0.000 1.037 1092 V CB 2.708 34.613 31.823 0.136 0.000 1.060 1092 V HN 0.792 nan 8.190 nan 0.000 0.437 1093 M N 2.432 122.066 119.600 0.057 0.000 2.716 1093 M HA 0.719 5.199 4.480 0.001 0.000 0.278 1093 M C -1.821 174.503 176.300 0.041 0.000 1.281 1093 M CA -0.849 54.464 55.300 0.022 0.000 0.814 1093 M CB 2.547 35.156 32.600 0.016 0.000 1.719 1093 M HN 0.446 nan 8.290 nan 0.000 0.457 1094 V N -0.014 119.921 119.914 0.035 0.000 2.686 1094 V HA 0.484 4.604 4.120 0.001 0.000 0.306 1094 V C -1.204 174.948 176.094 0.096 0.000 1.065 1094 V CA -0.883 61.445 62.300 0.046 0.000 0.894 1094 V CB 1.627 33.462 31.823 0.020 0.000 1.004 1094 V HN 0.931 nan 8.190 nan 0.000 0.424 1095 C N 5.890 125.254 119.300 0.106 0.000 2.322 1095 C HA 0.839 5.299 4.460 0.001 0.000 0.324 1095 C C -0.001 175.036 174.990 0.080 0.000 1.284 1095 C CA -0.481 58.633 59.018 0.158 0.000 1.606 1095 C CB -0.002 27.831 27.740 0.155 0.000 2.251 1095 C HN 0.794 nan 8.230 nan 0.000 0.502 1096 L N 2.310 123.585 121.223 0.087 0.000 2.359 1096 L HA 0.648 4.988 4.340 0.001 0.000 0.256 1096 L C -0.137 176.743 176.870 0.016 0.000 1.026 1096 L CA -0.909 53.944 54.840 0.021 0.000 0.828 1096 L CB 1.488 43.542 42.059 -0.008 0.000 1.406 1096 L HN 0.591 nan 8.230 nan 0.000 0.413 1097 R N 0.222 120.703 120.500 -0.033 0.000 2.528 1097 R HA 0.293 4.634 4.340 0.001 0.000 0.271 1097 R C -0.483 175.776 176.300 -0.068 0.000 1.056 1097 R CA -0.621 55.455 56.100 -0.041 0.000 1.117 1097 R CB 0.979 31.235 30.300 -0.074 0.000 1.085 1097 R HN 0.469 nan 8.270 nan 0.000 0.530 1098 E N 3.730 123.897 120.200 -0.055 0.000 2.167 1098 E HA 0.185 4.535 4.350 0.001 0.000 0.284 1098 E C -1.972 174.576 176.600 -0.086 0.000 1.016 1098 E CA -2.128 54.203 56.400 -0.116 0.000 0.817 1098 E CB 0.937 30.601 29.700 -0.060 0.000 1.080 1098 E HN 0.319 nan 8.360 nan 0.000 0.397 1099 P HA -0.050 nan 4.420 nan 0.000 0.270 1099 P C -0.320 176.964 177.300 -0.027 0.000 1.223 1099 P CA -0.227 62.833 63.100 -0.066 0.000 0.785 1099 P CB 1.083 32.733 31.700 -0.082 0.000 0.923 1100 S N 0.444 116.150 115.700 0.011 0.000 2.603 1100 S HA 0.090 4.561 4.470 0.001 0.000 0.268 1100 S C 1.234 175.867 174.600 0.056 0.000 1.317 1100 S CA -0.666 57.562 58.200 0.046 0.000 1.012 1100 S CB 0.030 63.278 63.200 0.080 0.000 0.926 1100 S HN 0.449 nan 8.310 nan 0.000 0.539 1101 L N 4.882 126.153 121.223 0.080 0.000 2.072 1101 L HA 0.219 4.559 4.340 0.001 0.000 0.205 1101 L C 2.352 179.349 176.870 0.212 0.000 1.079 1101 L CA 2.315 57.231 54.840 0.128 0.000 0.752 1101 L CB -1.287 40.839 42.059 0.111 0.000 0.906 1101 L HN 0.918 nan 8.230 nan 0.000 0.436 1102 G N 0.109 108.996 108.800 0.146 0.000 2.599 1102 G HA2 -0.297 3.664 3.960 0.001 0.000 0.219 1102 G HA3 -0.297 3.664 3.960 0.001 0.000 0.219 1102 G C -0.543 174.480 174.900 0.204 0.000 1.193 1102 G CA 1.191 46.385 45.100 0.156 0.000 0.778 1102 G HN 0.375 nan 8.290 nan 0.000 0.589 1103 P HA -0.062 nan 4.420 nan 0.000 0.218 1103 P C 2.070 179.403 177.300 0.054 0.000 1.146 1103 P CA 1.610 64.757 63.100 0.078 0.000 0.820 1103 P CB -0.097 31.626 31.700 0.039 0.000 0.778 1104 S N -1.975 113.759 115.700 0.057 0.000 2.423 1104 S HA -0.049 4.421 4.470 0.001 0.000 0.231 1104 S C 1.195 175.601 174.600 -0.323 0.000 1.014 1104 S CA 1.098 59.203 58.200 -0.158 0.000 0.965 1104 S CB -0.745 62.293 63.200 -0.271 0.000 0.785 1104 S HN 0.177 nan 8.310 nan 0.000 0.495 1105 F N 0.669 120.614 119.950 -0.008 0.000 2.678 1105 F HA 0.356 4.883 4.527 0.001 0.000 0.291 1105 F C 2.280 178.077 175.800 -0.004 0.000 1.123 1105 F CA -0.002 57.995 58.000 -0.005 0.000 1.395 1105 F CB -0.889 38.108 39.000 -0.004 0.000 1.121 1105 F HN 0.189 nan 8.300 nan 0.000 0.592 1106 G N 1.345 110.251 108.800 0.177 0.000 2.499 1106 G HA2 -0.029 3.931 3.960 0.001 0.000 0.213 1106 G HA3 -0.029 3.931 3.960 0.001 0.000 0.213 1106 G C 1.187 176.117 174.900 0.050 0.000 1.230 1106 G CA 0.878 46.036 45.100 0.097 0.000 0.813 1106 G HN 0.378 nan 8.290 nan 0.000 0.542 1107 I N -2.929 117.660 120.570 0.031 0.000 3.762 1107 I HA 0.489 4.660 4.170 0.001 0.000 0.333 1107 I C -0.526 175.583 176.117 -0.014 0.000 1.566 1107 I CA -0.704 60.600 61.300 0.007 0.000 1.129 1107 I CB -0.119 37.885 38.000 0.007 0.000 1.218 1107 I HN -0.061 nan 8.210 nan 0.000 0.456 1108 K N 0.973 121.353 120.400 -0.033 0.000 5.248 1108 K HA -0.087 4.234 4.320 0.001 0.000 0.573 1108 K C 0.000 176.561 176.600 -0.066 0.000 2.577 1108 K CA 0.658 56.903 56.287 -0.070 0.000 2.028 1108 K CB -0.641 31.826 32.500 -0.056 0.000 2.551 1108 K HN 0.639 nan 8.250 nan 0.000 0.155 1109 G N 1.258 110.001 108.800 -0.095 0.000 2.437 1109 G HA2 0.585 4.546 3.960 0.001 0.000 0.315 1109 G HA3 0.585 4.546 3.960 0.001 0.000 0.315 1109 G C 0.163 175.025 174.900 -0.064 0.000 1.210 1109 G CA 0.079 45.133 45.100 -0.077 0.000 0.943 1109 G HN 0.683 nan 8.290 nan 0.000 0.471 1110 G N 0.571 109.343 108.800 -0.046 0.000 2.507 1110 G HA2 0.652 4.613 3.960 0.001 0.000 0.271 1110 G HA3 0.652 4.613 3.960 0.001 0.000 0.271 1110 G C 0.547 175.423 174.900 -0.039 0.000 1.189 1110 G CA 0.283 45.363 45.100 -0.032 0.000 0.859 1110 G HN 0.988 nan 8.290 nan 0.000 0.542 1111 A N 0.158 122.960 122.820 -0.030 0.000 2.262 1111 A HA 0.628 4.949 4.320 0.001 0.000 0.273 1111 A C 1.181 178.743 177.584 -0.037 0.000 1.202 1111 A CA 0.282 52.294 52.037 -0.042 0.000 0.811 1111 A CB -0.016 18.957 19.000 -0.044 0.000 1.159 1111 A HN 1.825 nan 8.150 nan 0.000 0.505 1112 A N -0.333 122.458 122.820 -0.050 0.000 2.899 1112 A HA 0.509 4.830 4.320 0.001 0.000 0.287 1112 A C 1.399 178.974 177.584 -0.015 0.000 1.715 1112 A CA 0.914 52.923 52.037 -0.047 0.000 1.393 1112 A CB -1.720 17.241 19.000 -0.064 0.000 1.070 1112 A HN 2.704 nan 8.150 nan 0.000 0.587 1113 G N 0.941 109.746 108.800 0.009 0.000 3.226 1113 G HA2 0.362 4.322 3.960 0.001 0.000 0.270 1113 G HA3 0.362 4.322 3.960 0.001 0.000 0.270 1113 G C 1.155 176.128 174.900 0.122 0.000 1.592 1113 G CA 0.460 45.596 45.100 0.060 0.000 1.055 1113 G HN 2.869 nan 8.290 nan 0.000 0.582 1114 G N -2.383 106.487 108.800 0.117 0.000 2.346 1114 G HA2 0.573 4.533 3.960 0.001 0.000 0.294 1114 G HA3 0.573 4.533 3.960 0.001 0.000 0.294 1114 G C 1.012 175.874 174.900 -0.064 0.000 1.294 1114 G CA 0.965 46.139 45.100 0.124 0.000 0.962 1114 G HN 2.845 nan 8.290 nan 0.000 0.508 1115 G N -0.531 108.045 108.800 -0.374 0.000 2.646 1115 G HA2 -0.177 3.783 3.960 0.001 0.000 0.324 1115 G HA3 -0.177 3.783 3.960 0.001 0.000 0.324 1115 G C 0.575 174.993 174.900 -0.803 0.000 1.195 1115 G CA 1.723 46.167 45.100 -1.093 0.000 0.976 1115 G HN 1.812 nan 8.290 nan 0.000 0.546 1116 Y N 1.828 121.875 120.300 -0.421 0.000 2.669 1116 Y HA 0.651 5.201 4.550 0.001 0.000 0.302 1116 Y C 0.902 176.722 175.900 -0.133 0.000 1.000 1116 Y CA 0.222 58.185 58.100 -0.228 0.000 1.222 1116 Y CB 0.773 39.107 38.460 -0.210 0.000 1.209 1116 Y HN 0.964 nan 8.280 nan 0.000 0.571 1117 A N 1.902 124.710 122.820 -0.021 0.000 3.082 1117 A HA 0.648 4.969 4.320 0.001 0.000 0.328 1117 A C -0.584 177.004 177.584 0.008 0.000 1.089 1117 A CA -0.462 51.591 52.037 0.027 0.000 0.802 1117 A CB 0.244 19.296 19.000 0.086 0.000 1.138 1117 A HN 0.416 nan 8.150 nan 0.000 0.474 1118 Q N -0.232 119.556 119.800 -0.019 0.000 2.594 1118 Q HA 0.630 4.970 4.340 0.001 0.000 0.278 1118 Q C -1.726 174.254 176.000 -0.033 0.000 0.961 1118 Q CA -0.948 54.838 55.803 -0.029 0.000 0.844 1118 Q CB 1.309 30.019 28.738 -0.046 0.000 1.475 1118 Q HN 0.156 nan 8.270 nan 0.000 0.389 1119 V N 1.412 121.307 119.914 -0.032 0.000 2.785 1119 V HA 0.685 4.805 4.120 0.001 0.000 0.300 1119 V C 0.304 176.380 176.094 -0.029 0.000 1.062 1119 V CA -0.213 62.072 62.300 -0.024 0.000 1.029 1119 V CB 1.281 33.093 31.823 -0.018 0.000 1.024 1119 V HN 0.697 nan 8.190 nan 0.000 0.477 1120 V N 1.000 120.908 119.914 -0.010 0.000 3.167 1120 V HA 0.710 4.830 4.120 0.001 0.000 0.310 1120 V C -2.822 173.304 176.094 0.052 0.000 1.207 1120 V CA -2.559 59.737 62.300 -0.007 0.000 1.059 1120 V CB 2.050 33.842 31.823 -0.051 0.000 1.079 1120 V HN 0.695 nan 8.190 nan 0.000 0.446 1121 P HA 0.156 nan 4.420 nan 0.000 0.271 1121 P C 0.536 177.858 177.300 0.036 0.000 1.220 1121 P CA -0.007 63.108 63.100 0.025 0.000 0.768 1121 P CB 1.264 32.993 31.700 0.049 0.000 0.848 1122 M N 3.443 123.035 119.600 -0.013 0.000 2.218 1122 M HA -0.191 4.289 4.480 0.001 0.000 0.262 1122 M C 1.930 178.224 176.300 -0.010 0.000 1.081 1122 M CA 1.929 57.211 55.300 -0.030 0.000 1.100 1122 M CB -0.649 31.921 32.600 -0.050 0.000 1.258 1122 M HN 0.359 nan 8.290 nan 0.000 0.438 1123 E N 0.198 120.395 120.200 -0.005 0.000 2.200 1123 E HA -0.308 4.043 4.350 0.001 0.000 0.211 1123 E C 1.409 178.042 176.600 0.055 0.000 1.048 1123 E CA 2.292 58.698 56.400 0.010 0.000 0.851 1123 E CB -0.315 29.395 29.700 0.017 0.000 0.747 1123 E HN 0.626 nan 8.360 nan 0.000 0.462 1124 D N -0.359 120.106 120.400 0.109 0.000 2.183 1124 D HA -0.068 4.573 4.640 0.001 0.000 0.203 1124 D C 1.757 178.223 176.300 0.276 0.000 0.969 1124 D CA 0.725 54.848 54.000 0.206 0.000 0.842 1124 D CB 0.006 40.954 40.800 0.247 0.000 0.957 1124 D HN 0.241 nan 8.370 nan 0.000 0.484 1125 I N 0.306 120.952 120.570 0.127 0.000 2.761 1125 I HA -0.112 4.058 4.170 0.001 0.000 0.261 1125 I C 1.109 177.111 176.117 -0.192 0.000 1.198 1125 I CA 0.660 61.823 61.300 -0.228 0.000 1.482 1125 I CB -0.114 37.602 38.000 -0.474 0.000 1.100 1125 I HN -0.083 nan 8.210 nan 0.000 0.445 1126 N N 0.201 118.853 118.700 -0.080 0.000 2.415 1126 N HA 0.112 4.852 4.740 0.001 0.000 0.176 1126 N C 1.261 176.752 175.510 -0.032 0.000 1.042 1126 N CA 0.628 53.635 53.050 -0.072 0.000 0.902 1126 N CB 0.302 38.746 38.487 -0.072 0.000 0.986 1126 N HN 0.220 nan 8.380 nan 0.000 0.447 1127 L N -0.714 120.508 121.223 -0.002 0.000 2.541 1127 L HA 0.160 4.500 4.340 0.001 0.000 0.189 1127 L C 1.479 178.296 176.870 -0.088 0.000 1.374 1127 L CA -0.180 54.630 54.840 -0.051 0.000 2.938 1127 L CB -0.354 41.699 42.059 -0.010 0.000 2.789 1127 L HN 0.230 nan 8.230 nan 0.000 1.068 1128 H N -0.887 118.285 119.070 0.171 0.000 2.544 1128 H HA 0.011 4.567 4.556 0.001 0.000 0.269 1128 H C 0.932 176.339 175.328 0.132 0.000 0.970 1128 H CA 0.343 56.468 56.048 0.128 0.000 1.219 1128 H CB 0.335 30.210 29.762 0.190 0.000 1.421 1128 H HN 0.253 nan 8.280 nan 0.000 0.555 1129 F N 1.115 121.109 119.950 0.073 0.000 2.784 1129 F HA -0.463 4.064 4.527 0.001 0.000 0.231 1129 F C 1.820 177.605 175.800 -0.024 0.000 1.467 1129 F CA 2.775 60.784 58.000 0.014 0.000 1.913 1129 F CB -1.076 37.907 39.000 -0.028 0.000 0.488 1129 F HN 0.208 nan 8.300 nan 0.000 0.282 1130 T N -1.202 113.138 114.554 -0.357 0.000 3.174 1130 T HA 0.510 4.861 4.350 0.001 0.000 0.269 1130 T C 1.045 175.587 174.700 -0.264 0.000 1.017 1130 T CA 0.729 62.485 62.100 -0.573 0.000 0.899 1130 T CB -0.163 68.116 68.868 -0.982 0.000 1.077 1130 T HN 1.971 nan 8.240 nan 0.000 0.552 1131 G N 1.664 110.414 108.800 -0.083 0.000 2.160 1131 G HA2 -0.247 3.713 3.960 0.001 0.000 0.244 1131 G HA3 -0.247 3.713 3.960 0.001 0.000 0.244 1131 G C 0.433 175.315 174.900 -0.030 0.000 1.022 1131 G CA 0.238 45.306 45.100 -0.053 0.000 0.741 1131 G HN 0.488 nan 8.290 nan 0.000 0.508 1132 D N 0.159 120.551 120.400 -0.014 0.000 2.103 1132 D HA 0.005 4.646 4.640 0.001 0.000 0.199 1132 D C 2.688 179.039 176.300 0.085 0.000 0.978 1132 D CA 0.999 55.036 54.000 0.062 0.000 0.829 1132 D CB -0.126 40.744 40.800 0.118 0.000 0.981 1132 D HN 0.558 nan 8.370 nan 0.000 0.464 1133 I N 0.766 121.349 120.570 0.023 0.000 2.614 1133 I HA -0.214 3.957 4.170 0.001 0.000 0.258 1133 I C 1.904 178.143 176.117 0.204 0.000 1.189 1133 I CA 0.829 62.173 61.300 0.074 0.000 1.462 1133 I CB -0.216 37.808 38.000 0.039 0.000 1.092 1133 I HN 0.064 nan 8.210 nan 0.000 0.442 1134 H N 0.794 119.983 119.070 0.198 0.000 2.415 1134 H HA 0.143 4.699 4.556 0.001 0.000 0.297 1134 H C 2.403 177.904 175.328 0.288 0.000 1.048 1134 H CA 1.065 57.268 56.048 0.258 0.000 1.365 1134 H CB -0.404 29.496 29.762 0.230 0.000 1.421 1134 H HN 0.277 nan 8.280 nan 0.000 0.533 1135 A N 0.785 123.798 122.820 0.322 0.000 1.902 1135 A HA -0.108 4.213 4.320 0.001 0.000 0.217 1135 A C 2.694 180.445 177.584 0.278 0.000 1.181 1135 A CA 1.703 53.896 52.037 0.259 0.000 0.623 1135 A CB -0.822 18.293 19.000 0.192 0.000 0.818 1135 A HN 0.219 nan 8.150 nan 0.000 0.443 1136 V N -0.463 119.603 119.914 0.254 0.000 2.427 1136 V HA -0.190 3.931 4.120 0.001 0.000 0.248 1136 V C 2.666 178.898 176.094 0.231 0.000 1.051 1136 V CA 2.346 64.789 62.300 0.238 0.000 1.048 1136 V CB -1.209 30.732 31.823 0.197 0.000 0.666 1136 V HN 0.580 nan 8.190 nan 0.000 0.456 1137 T N -1.033 113.661 114.554 0.233 0.000 2.867 1137 T HA -0.156 4.195 4.350 0.001 0.000 0.268 1137 T C 1.704 176.457 174.700 0.088 0.000 1.057 1137 T CA 1.712 63.888 62.100 0.128 0.000 1.136 1137 T CB -0.261 68.694 68.868 0.145 0.000 0.874 1137 T HN 0.509 nan 8.240 nan 0.000 0.466 1138 Y N 0.698 121.082 120.300 0.139 0.000 2.389 1138 Y HA 0.374 4.924 4.550 0.001 0.000 0.292 1138 Y C 2.579 178.555 175.900 0.127 0.000 1.117 1138 Y CA 0.043 58.217 58.100 0.123 0.000 1.195 1138 Y CB -0.689 37.832 38.460 0.102 0.000 1.076 1138 Y HN 0.134 nan 8.280 nan 0.000 0.548 1139 A N 0.079 123.067 122.820 0.280 0.000 1.884 1139 A HA -0.321 4.000 4.320 0.001 0.000 0.219 1139 A C 2.178 179.826 177.584 0.107 0.000 1.197 1139 A CA 2.389 54.514 52.037 0.147 0.000 0.637 1139 A CB -1.152 17.924 19.000 0.127 0.000 0.827 1139 A HN 0.567 nan 8.150 nan 0.000 0.450 1140 H N 0.430 119.552 119.070 0.086 0.000 2.256 1140 H HA -0.107 4.449 4.556 0.001 0.000 0.299 1140 H C 1.826 177.266 175.328 0.188 0.000 1.071 1140 H CA 2.043 58.211 56.048 0.199 0.000 1.280 1140 H CB -0.463 29.364 29.762 0.107 0.000 1.370 1140 H HN 0.391 nan 8.280 nan 0.000 0.490 1141 N N 0.961 119.880 118.700 0.365 0.000 2.348 1141 N HA -0.133 4.607 4.740 0.001 0.000 0.185 1141 N C 2.090 177.686 175.510 0.144 0.000 1.019 1141 N CA 0.749 53.903 53.050 0.173 0.000 0.880 1141 N CB -0.422 38.008 38.487 -0.094 0.000 0.965 1141 N HN 0.334 nan 8.380 nan 0.000 0.437 1142 L N 0.142 121.453 121.223 0.146 0.000 2.156 1142 L HA 0.033 4.374 4.340 0.001 0.000 0.208 1142 L C 1.857 178.762 176.870 0.058 0.000 1.095 1142 L CA 1.046 55.947 54.840 0.101 0.000 0.770 1142 L CB -0.615 41.500 42.059 0.094 0.000 0.914 1142 L HN 0.027 nan 8.230 nan 0.000 0.439 1143 L N 0.013 121.264 121.223 0.046 0.000 2.027 1143 L HA -0.037 4.304 4.340 0.001 0.000 0.206 1143 L C 2.581 179.487 176.870 0.060 0.000 1.074 1143 L CA 2.021 56.812 54.840 -0.081 0.000 0.745 1143 L CB -1.296 40.528 42.059 -0.393 0.000 0.898 1143 L HN 0.299 nan 8.230 nan 0.000 0.433 1144 A N -0.260 122.745 122.820 0.308 0.000 1.859 1144 A HA -0.288 4.032 4.320 0.001 0.000 0.218 1144 A C 2.487 180.135 177.584 0.107 0.000 1.209 1144 A CA 2.797 54.985 52.037 0.251 0.000 0.639 1144 A CB -1.507 17.577 19.000 0.140 0.000 0.835 1144 A HN 0.591 nan 8.150 nan 0.000 0.450 1145 A N -0.869 121.999 122.820 0.080 0.000 1.903 1145 A HA -0.266 4.054 4.320 0.001 0.000 0.219 1145 A C 2.316 179.927 177.584 0.045 0.000 1.191 1145 A CA 2.351 54.422 52.037 0.057 0.000 0.638 1145 A CB -0.652 18.383 19.000 0.059 0.000 0.823 1145 A HN 0.589 nan 8.150 nan 0.000 0.451 1146 M N -1.174 118.443 119.600 0.027 0.000 2.229 1146 M HA -0.107 4.374 4.480 0.001 0.000 0.264 1146 M C 2.126 178.435 176.300 0.014 0.000 1.063 1146 M CA 1.068 56.373 55.300 0.008 0.000 1.114 1146 M CB -0.387 32.191 32.600 -0.036 0.000 1.387 1146 M HN 0.298 nan 8.290 nan 0.000 0.420 1147 V N 0.553 120.471 119.914 0.007 0.000 2.237 1147 V HA -0.297 3.824 4.120 0.001 0.000 0.245 1147 V C 1.949 178.085 176.094 0.071 0.000 1.046 1147 V CA 1.975 64.286 62.300 0.019 0.000 1.007 1147 V CB -0.558 31.281 31.823 0.027 0.000 0.638 1147 V HN 0.433 nan 8.190 nan 0.000 0.445 1148 D N -0.283 120.154 120.400 0.062 0.000 2.116 1148 D HA -0.239 4.401 4.640 0.001 0.000 0.193 1148 D C 2.062 178.396 176.300 0.057 0.000 0.998 1148 D CA 1.828 55.862 54.000 0.056 0.000 0.836 1148 D CB -0.400 40.428 40.800 0.047 0.000 0.951 1148 D HN 0.542 nan 8.370 nan 0.000 0.449 1149 N N 0.233 118.969 118.700 0.060 0.000 2.036 1149 N HA -0.242 4.498 4.740 0.001 0.000 0.195 1149 N C 2.019 177.570 175.510 0.068 0.000 1.037 1149 N CA 1.154 54.238 53.050 0.056 0.000 0.855 1149 N CB -0.271 38.249 38.487 0.055 0.000 1.033 1149 N HN 0.359 nan 8.380 nan 0.000 0.423 1150 H N 1.178 120.247 119.070 -0.002 0.000 2.325 1150 H HA -0.169 4.387 4.556 0.000 0.000 0.293 1150 H C 2.290 177.622 175.328 0.006 0.000 1.106 1150 H CA 2.090 58.136 56.048 -0.003 0.000 1.247 1150 H CB -0.182 29.570 29.762 -0.016 0.000 1.359 1150 H HN 0.251 nan 8.280 nan 0.000 0.488 1151 L N 0.320 121.503 121.223 -0.066 0.000 1.955 1151 L HA -0.243 4.098 4.340 0.001 0.000 0.213 1151 L C 2.907 179.721 176.870 -0.093 0.000 1.072 1151 L CA 1.664 56.442 54.840 -0.104 0.000 0.755 1151 L CB -0.954 41.102 42.059 -0.005 0.000 0.888 1151 L HN 0.285 nan 8.230 nan 0.000 0.432 1152 Q N 0.456 120.236 119.800 -0.034 0.000 2.182 1152 Q HA -0.258 4.082 4.340 0.001 0.000 0.213 1152 Q C 1.775 177.752 176.000 -0.038 0.000 1.000 1152 Q CA 1.787 57.578 55.803 -0.020 0.000 0.889 1152 Q CB -0.276 28.463 28.738 0.003 0.000 0.932 1152 Q HN 0.435 nan 8.270 nan 0.000 0.415 1153 Q N -1.359 118.402 119.800 -0.064 0.000 2.239 1153 Q HA 0.269 4.610 4.340 0.001 0.000 0.219 1153 Q C 0.778 176.714 176.000 -0.106 0.000 0.901 1153 Q CA 0.622 56.386 55.803 -0.064 0.000 0.949 1153 Q CB 0.270 28.988 28.738 -0.033 0.000 1.038 1153 Q HN 0.571 nan 8.270 nan 0.000 0.458 1154 G N 1.568 110.297 108.800 -0.118 0.000 2.232 1154 G HA2 -0.282 3.679 3.960 0.001 0.000 0.226 1154 G HA3 -0.282 3.679 3.960 0.001 0.000 0.226 1154 G C 0.324 175.125 174.900 -0.164 0.000 0.996 1154 G CA -0.179 44.856 45.100 -0.108 0.000 0.626 1154 G HN 0.369 nan 8.290 nan 0.000 0.509 1155 N N -0.599 117.875 118.700 -0.378 0.000 2.608 1155 N HA -0.169 4.572 4.740 0.001 0.000 0.273 1155 N C 1.232 176.629 175.510 -0.189 0.000 1.133 1155 N CA 1.094 53.858 53.050 -0.477 0.000 0.726 1155 N CB -1.025 37.378 38.487 -0.140 0.000 0.890 1155 N HN 0.908 nan 8.380 nan 0.000 0.548 1156 V N 2.406 122.236 119.914 -0.140 0.000 2.488 1156 V HA -0.141 3.979 4.120 0.001 0.000 0.246 1156 V C 2.422 178.644 176.094 0.214 0.000 1.046 1156 V CA 1.566 63.944 62.300 0.130 0.000 1.053 1156 V CB -0.186 31.751 31.823 0.190 0.000 0.679 1156 V HN 0.518 nan 8.190 nan 0.000 0.458 1157 L N -0.158 121.299 121.223 0.391 0.000 2.376 1157 L HA 0.067 4.408 4.340 0.001 0.000 0.219 1157 L C 0.761 177.723 176.870 0.153 0.000 1.133 1157 L CA 0.582 55.531 54.840 0.182 0.000 0.816 1157 L CB -0.661 41.405 42.059 0.012 0.000 0.933 1157 L HN 0.473 nan 8.230 nan 0.000 0.449 1158 N N 0.495 119.312 118.700 0.195 0.000 2.643 1158 N HA -0.152 4.589 4.740 0.001 0.000 0.267 1158 N C -0.922 174.613 175.510 0.042 0.000 1.158 1158 N CA 0.297 53.444 53.050 0.162 0.000 0.684 1158 N CB -0.884 37.718 38.487 0.191 0.000 0.879 1158 N HN 0.215 nan 8.380 nan 0.000 0.553 1159 I N -0.024 120.534 120.570 -0.021 0.000 2.359 1159 I HA 0.214 4.385 4.170 0.001 0.000 0.294 1159 I C 0.460 176.316 176.117 -0.435 0.000 0.987 1159 I CA -0.813 60.392 61.300 -0.159 0.000 1.225 1159 I CB 1.312 39.293 38.000 -0.032 0.000 1.366 1159 I HN 0.203 nan 8.210 nan 0.000 0.466 1160 D N 9.004 129.016 120.400 -0.648 0.000 2.359 1160 D HA 0.142 4.782 4.640 0.001 0.000 0.250 1160 D C -1.651 174.516 176.300 -0.222 0.000 1.264 1160 D CA -2.131 51.417 54.000 -0.753 0.000 0.911 1160 D CB 1.355 41.797 40.800 -0.597 0.000 1.056 1160 D HN 0.202 nan 8.370 nan 0.000 0.499 1161 P HA -0.197 nan 4.420 nan 0.000 0.218 1161 P C 0.883 178.187 177.300 0.006 0.000 1.152 1161 P CA 1.360 64.450 63.100 -0.016 0.000 0.857 1161 P CB 0.124 31.837 31.700 0.021 0.000 0.787 1162 R N -1.036 119.470 120.500 0.010 0.000 2.377 1162 R HA -0.030 4.311 4.340 0.001 0.000 0.207 1162 R C 1.642 177.959 176.300 0.028 0.000 1.075 1162 R CA 1.592 57.709 56.100 0.027 0.000 1.035 1162 R CB -1.030 29.295 30.300 0.042 0.000 0.857 1162 R HN 0.379 nan 8.270 nan 0.000 0.475 1163 T N -2.689 111.882 114.554 0.027 0.000 3.054 1163 T HA 0.257 4.607 4.350 0.001 0.000 0.255 1163 T C 0.722 175.504 174.700 0.137 0.000 1.035 1163 T CA -0.365 61.782 62.100 0.080 0.000 0.941 1163 T CB 0.155 69.084 68.868 0.101 0.000 1.026 1163 T HN -0.007 nan 8.240 nan 0.000 0.533 1164 I N 4.190 124.811 120.570 0.085 0.000 2.671 1164 I HA 0.038 4.209 4.170 0.001 0.000 0.285 1164 I C 1.909 178.091 176.117 0.109 0.000 1.148 1164 I CA 0.163 61.518 61.300 0.091 0.000 1.386 1164 I CB 0.789 38.828 38.000 0.066 0.000 1.406 1164 I HN 0.422 nan 8.210 nan 0.000 0.540 1165 T N 2.979 117.622 114.554 0.148 0.000 3.044 1165 T HA -0.071 4.280 4.350 0.001 0.000 0.255 1165 T C 0.615 175.401 174.700 0.144 0.000 1.073 1165 T CA -0.183 62.004 62.100 0.144 0.000 1.125 1165 T CB 0.102 69.084 68.868 0.191 0.000 0.908 1165 T HN 0.601 nan 8.240 nan 0.000 0.480 1166 W N 4.305 125.583 121.300 -0.037 0.000 2.585 1166 W HA 0.333 4.994 4.660 0.001 0.000 0.337 1166 W C -0.120 176.366 176.519 -0.055 0.000 1.226 1166 W CA -1.020 56.283 57.345 -0.070 0.000 1.463 1166 W CB 0.292 29.674 29.460 -0.130 0.000 1.458 1166 W HN 0.206 nan 8.180 nan 0.000 0.458 1167 R N 3.233 123.464 120.500 -0.447 0.000 2.696 1167 R HA 0.457 4.797 4.340 0.001 0.000 0.218 1167 R C 0.141 176.104 176.300 -0.561 0.000 1.202 1167 R CA -0.548 55.306 56.100 -0.410 0.000 1.043 1167 R CB 0.467 30.578 30.300 -0.316 0.000 1.292 1167 R HN 0.383 nan 8.270 nan 0.000 0.521 1168 R N -0.773 119.359 120.500 -0.613 0.000 2.943 1168 R HA 0.650 4.991 4.340 0.001 0.000 0.246 1168 R C -1.564 174.184 176.300 -0.920 0.000 1.201 1168 R CA -0.747 54.865 56.100 -0.813 0.000 1.056 1168 R CB 1.850 31.324 30.300 -1.376 0.000 1.243 1168 R HN 0.276 nan 8.270 nan 0.000 0.498 1169 V N 1.673 121.089 119.914 -0.829 0.000 3.077 1169 V HA 0.607 4.728 4.120 0.001 0.000 0.299 1169 V C -1.768 174.301 176.094 -0.042 0.000 1.276 1169 V CA -0.628 61.396 62.300 -0.460 0.000 0.993 1169 V CB 2.066 33.374 31.823 -0.859 0.000 1.076 1169 V HN 0.711 nan 8.190 nan 0.000 0.434 1170 I N 2.913 123.522 120.570 0.065 0.000 3.102 1170 I HA 0.640 4.811 4.170 0.001 0.000 0.310 1170 I C -0.809 175.307 176.117 -0.002 0.000 1.246 1170 I CA -0.142 61.180 61.300 0.036 0.000 0.979 1170 I CB 2.394 40.399 38.000 0.009 0.000 1.267 1170 I HN 0.661 nan 8.210 nan 0.000 0.451 1171 D N 4.259 124.666 120.400 0.011 0.000 2.722 1171 D HA 0.416 5.056 4.640 0.001 0.000 0.239 1171 D C -0.571 175.739 176.300 0.017 0.000 1.249 1171 D CA 0.340 54.360 54.000 0.034 0.000 0.830 1171 D CB -0.207 40.649 40.800 0.093 0.000 1.025 1171 D HN 0.422 nan 8.370 nan 0.000 0.486 1172 L N -0.782 120.431 121.223 -0.017 0.000 2.161 1172 L HA 0.510 4.851 4.340 0.001 0.000 0.248 1172 L C -0.001 176.862 176.870 -0.011 0.000 1.088 1172 L CA -1.142 53.676 54.840 -0.035 0.000 0.987 1172 L CB 1.029 43.024 42.059 -0.108 0.000 1.563 1172 L HN -0.287 nan 8.230 nan 0.000 0.472 1173 N N 1.002 119.695 118.700 -0.012 0.000 2.707 1173 N HA 0.257 4.997 4.740 0.001 0.000 0.235 1173 N C -1.561 173.936 175.510 -0.021 0.000 1.028 1173 N CA -0.297 52.757 53.050 0.005 0.000 0.906 1173 N CB 1.069 39.574 38.487 0.031 0.000 1.131 1173 N HN 0.427 nan 8.380 nan 0.000 0.509 1174 D N 1.006 121.384 120.400 -0.038 0.000 2.438 1174 D HA 0.249 4.890 4.640 0.001 0.000 0.257 1174 D C 1.177 177.455 176.300 -0.037 0.000 1.148 1174 D CA -0.388 53.577 54.000 -0.059 0.000 0.902 1174 D CB 0.947 41.673 40.800 -0.123 0.000 1.062 1174 D HN 0.178 nan 8.370 nan 0.000 0.518 1175 R N 1.597 122.088 120.500 -0.016 0.000 2.096 1175 R HA -0.188 4.153 4.340 0.001 0.000 0.240 1175 R C 1.859 178.154 176.300 -0.009 0.000 1.139 1175 R CA 1.530 57.629 56.100 -0.001 0.000 0.952 1175 R CB -0.132 30.169 30.300 0.002 0.000 0.854 1175 R HN 0.365 nan 8.270 nan 0.000 0.436 1176 A N 0.943 123.746 122.820 -0.027 0.000 2.148 1176 A HA -0.155 4.166 4.320 0.001 0.000 0.222 1176 A C 1.932 179.493 177.584 -0.037 0.000 1.161 1176 A CA 1.311 53.328 52.037 -0.034 0.000 0.662 1176 A CB -0.437 18.532 19.000 -0.051 0.000 0.799 1176 A HN 0.246 nan 8.150 nan 0.000 0.466 1177 L N -2.208 118.988 121.223 -0.045 0.000 2.585 1177 L HA 0.067 4.408 4.340 0.001 0.000 0.226 1177 L C 2.412 179.334 176.870 0.088 0.000 1.113 1177 L CA -0.035 54.793 54.840 -0.019 0.000 0.876 1177 L CB -0.291 41.673 42.059 -0.159 0.000 1.072 1177 L HN 0.342 nan 8.230 nan 0.000 0.468 1178 R N 0.893 121.424 120.500 0.051 0.000 2.132 1178 R HA -0.096 4.245 4.340 0.001 0.000 0.233 1178 R C 0.243 176.575 176.300 0.054 0.000 1.125 1178 R CA 1.162 57.294 56.100 0.054 0.000 0.914 1178 R CB -0.230 30.091 30.300 0.034 0.000 0.845 1178 R HN 0.351 nan 8.270 nan 0.000 0.431 1179 N N 0.803 119.528 118.700 0.042 0.000 2.392 1179 N HA 0.338 5.079 4.740 0.001 0.000 0.283 1179 N C -0.372 175.163 175.510 0.043 0.000 1.003 1179 N CA -0.266 52.807 53.050 0.038 0.000 0.892 1179 N CB 2.153 40.657 38.487 0.027 0.000 1.193 1179 N HN 0.215 nan 8.380 nan 0.000 0.487 1180 I N -2.501 118.100 120.570 0.051 0.000 3.354 1180 I HA 0.691 4.862 4.170 0.001 0.000 0.316 1180 I C -1.240 174.904 176.117 0.045 0.000 1.182 1180 I CA -1.063 60.269 61.300 0.053 0.000 0.942 1180 I CB 2.071 40.123 38.000 0.087 0.000 1.299 1180 I HN -0.013 nan 8.210 nan 0.000 0.473 1181 V N 3.152 123.091 119.914 0.043 0.000 2.656 1181 V HA 0.535 4.655 4.120 0.001 0.000 0.307 1181 V C -0.139 175.980 176.094 0.042 0.000 1.051 1181 V CA -0.442 61.880 62.300 0.037 0.000 0.893 1181 V CB 1.807 33.648 31.823 0.029 0.000 0.999 1181 V HN 0.470 nan 8.190 nan 0.000 0.426 1182 I N 1.960 122.554 120.570 0.040 0.000 3.573 1182 I HA 0.580 4.750 4.170 0.001 0.000 0.285 1182 I C 1.582 177.720 176.117 0.035 0.000 1.203 1182 I CA 0.257 61.582 61.300 0.042 0.000 1.033 1182 I CB 1.078 39.102 38.000 0.040 0.000 1.348 1182 I HN 0.831 nan 8.210 nan 0.000 0.525 1183 G N 1.490 110.311 108.800 0.034 0.000 2.244 1183 G HA2 -0.247 3.713 3.960 0.001 0.000 0.274 1183 G HA3 -0.247 3.713 3.960 0.001 0.000 0.274 1183 G C 0.289 175.204 174.900 0.026 0.000 1.002 1183 G CA 0.372 45.490 45.100 0.030 0.000 0.740 1183 G HN 0.389 nan 8.290 nan 0.000 0.516 1184 L N -1.237 120.002 121.223 0.025 0.000 2.436 1184 L HA 0.554 4.895 4.340 0.001 0.000 0.265 1184 L C 1.660 178.542 176.870 0.019 0.000 1.168 1184 L CA 0.699 55.552 54.840 0.021 0.000 0.815 1184 L CB 1.037 43.108 42.059 0.020 0.000 1.109 1184 L HN 0.587 nan 8.230 nan 0.000 0.462 1185 G N 0.589 109.398 108.800 0.016 0.000 3.180 1185 G HA2 0.197 4.157 3.960 0.001 0.000 0.197 1185 G HA3 0.197 4.157 3.960 0.001 0.000 0.197 1185 G C 0.195 175.103 174.900 0.013 0.000 1.149 1185 G CA 0.014 45.123 45.100 0.015 0.000 0.847 1185 G HN 1.318 nan 8.290 nan 0.000 0.469 1186 G N -0.381 108.427 108.800 0.014 0.000 2.368 1186 G HA2 0.516 4.477 3.960 0.001 0.000 0.302 1186 G HA3 0.516 4.477 3.960 0.001 0.000 0.302 1186 G C 0.408 175.315 174.900 0.012 0.000 1.329 1186 G CA 0.446 45.553 45.100 0.012 0.000 0.935 1186 G HN 1.143 nan 8.290 nan 0.000 0.590 1187 K N -0.813 119.593 120.400 0.010 0.000 2.442 1187 K HA 0.175 4.495 4.320 0.001 0.000 0.199 1187 K C 1.681 178.286 176.600 0.009 0.000 1.044 1187 K CA 2.003 58.296 56.287 0.009 0.000 0.941 1187 K CB 0.060 32.564 32.500 0.007 0.000 0.759 1187 K HN 0.944 nan 8.250 nan 0.000 0.472 1188 A N 1.203 124.029 122.820 0.010 0.000 2.379 1188 A HA 0.138 4.458 4.320 0.001 0.000 0.236 1188 A C 0.397 177.989 177.584 0.014 0.000 1.272 1188 A CA -0.358 51.685 52.037 0.011 0.000 0.886 1188 A CB 0.058 19.065 19.000 0.010 0.000 0.962 1188 A HN 0.286 nan 8.150 nan 0.000 0.504 1189 N N 0.211 118.920 118.700 0.015 0.000 2.299 1189 N HA 0.337 5.078 4.740 0.001 0.000 0.246 1189 N C 0.565 176.088 175.510 0.021 0.000 1.254 1189 N CA 0.854 53.915 53.050 0.018 0.000 0.879 1189 N CB 1.018 39.516 38.487 0.019 0.000 1.214 1189 N HN 0.562 nan 8.380 nan 0.000 0.510 1190 G N -0.093 108.718 108.800 0.018 0.000 2.660 1190 G HA2 -0.202 3.759 3.960 0.001 0.000 0.247 1190 G HA3 -0.202 3.759 3.960 0.001 0.000 0.247 1190 G C -0.954 173.959 174.900 0.021 0.000 1.328 1190 G CA -0.681 44.431 45.100 0.020 0.000 0.884 1190 G HN 0.013 nan 8.290 nan 0.000 0.531 1191 V N 1.648 121.576 119.914 0.023 0.000 2.427 1191 V HA 0.529 4.650 4.120 0.001 0.000 0.286 1191 V C -1.762 174.350 176.094 0.030 0.000 1.034 1191 V CA -1.224 61.092 62.300 0.027 0.000 0.893 1191 V CB 1.742 33.583 31.823 0.029 0.000 0.982 1191 V HN 0.651 nan 8.190 nan 0.000 0.452 1192 P HA 0.345 nan 4.420 nan 0.000 0.267 1192 P C -0.559 176.761 177.300 0.033 0.000 1.205 1192 P CA -0.037 63.081 63.100 0.030 0.000 0.765 1192 P CB 0.371 32.088 31.700 0.028 0.000 0.828 1193 R N 0.675 121.194 120.500 0.032 0.000 2.728 1193 R HA 0.495 4.835 4.340 0.001 0.000 0.274 1193 R C -1.394 174.924 176.300 0.030 0.000 1.030 1193 R CA -1.035 55.084 56.100 0.032 0.000 0.876 1193 R CB 1.286 31.605 30.300 0.032 0.000 1.259 1193 R HN 0.223 nan 8.270 nan 0.000 0.468 1194 E N 1.038 121.255 120.200 0.028 0.000 2.134 1194 E HA 0.409 4.759 4.350 0.001 0.000 0.278 1194 E C -0.712 175.900 176.600 0.020 0.000 0.959 1194 E CA -0.552 55.863 56.400 0.026 0.000 0.783 1194 E CB 2.203 31.918 29.700 0.026 0.000 1.095 1194 E HN 0.612 nan 8.360 nan 0.000 0.399 1195 T N 0.468 115.032 114.554 0.017 0.000 2.570 1195 T HA 0.815 5.166 4.350 0.001 0.000 0.239 1195 T C 0.033 174.736 174.700 0.005 0.000 0.829 1195 T CA -0.501 61.594 62.100 -0.008 0.000 1.264 1195 T CB 1.421 70.263 68.868 -0.043 0.000 1.546 1195 T HN 0.640 nan 8.240 nan 0.000 0.465 1196 G N -0.289 108.494 108.800 -0.028 0.000 2.320 1196 G HA2 0.462 4.423 3.960 0.001 0.000 0.297 1196 G HA3 0.462 4.423 3.960 0.001 0.000 0.297 1196 G C -2.375 172.504 174.900 -0.035 0.000 1.344 1196 G CA -0.890 44.249 45.100 0.064 0.000 0.851 1196 G HN 0.413 nan 8.290 nan 0.000 0.567 1197 F N 0.776 120.667 119.950 -0.098 0.000 2.522 1197 F HA 0.631 5.159 4.527 0.001 0.000 0.324 1197 F C 0.129 175.846 175.800 -0.139 0.000 1.077 1197 F CA -0.577 57.339 58.000 -0.141 0.000 0.944 1197 F CB 2.355 41.277 39.000 -0.130 0.000 1.175 1197 F HN 0.291 nan 8.300 nan 0.000 0.468 1198 D N 1.069 121.441 120.400 -0.046 0.000 2.467 1198 D HA 0.317 4.957 4.640 0.001 0.000 0.245 1198 D C -0.947 175.300 176.300 -0.088 0.000 1.038 1198 D CA -0.383 53.563 54.000 -0.090 0.000 1.038 1198 D CB 2.708 43.389 40.800 -0.198 0.000 1.278 1198 D HN 0.313 nan 8.370 nan 0.000 0.564 1199 I N 0.997 121.507 120.570 -0.100 0.000 2.337 1199 I HA 0.030 4.200 4.170 0.001 0.000 0.291 1199 I C 1.316 177.342 176.117 -0.152 0.000 1.046 1199 I CA 0.450 61.710 61.300 -0.066 0.000 1.324 1199 I CB 0.377 38.405 38.000 0.048 0.000 1.409 1199 I HN 0.248 nan 8.210 nan 0.000 0.494 1200 S N 4.627 120.257 115.700 -0.118 0.000 2.472 1200 S HA -0.319 4.151 4.470 0.001 0.000 0.292 1200 S C 1.931 176.458 174.600 -0.122 0.000 1.175 1200 S CA 2.692 60.819 58.200 -0.120 0.000 1.249 1200 S CB -1.025 62.164 63.200 -0.020 0.000 1.208 1200 S HN 0.881 nan 8.310 nan 0.000 0.442 1201 V N -0.082 119.786 119.914 -0.077 0.000 2.764 1201 V HA -0.131 3.990 4.120 0.001 0.000 0.261 1201 V C 1.889 177.826 176.094 -0.262 0.000 1.108 1201 V CA 1.867 64.127 62.300 -0.067 0.000 1.129 1201 V CB -1.369 30.498 31.823 0.072 0.000 0.701 1201 V HN 0.557 nan 8.190 nan 0.000 0.495 1202 A N 0.048 122.544 122.820 -0.541 0.000 2.275 1202 A HA 0.285 4.605 4.320 0.001 0.000 0.212 1202 A C 1.484 178.862 177.584 -0.344 0.000 1.201 1202 A CA 0.718 52.288 52.037 -0.779 0.000 0.843 1202 A CB -0.326 17.972 19.000 -1.170 0.000 0.873 1202 A HN 0.630 nan 8.150 nan 0.000 0.492 1203 S N 0.121 115.694 115.700 -0.212 0.000 2.549 1203 S HA 0.020 4.491 4.470 0.001 0.000 0.286 1203 S C 1.000 175.642 174.600 0.070 0.000 1.314 1203 S CA 0.242 58.407 58.200 -0.058 0.000 1.062 1203 S CB 0.707 63.928 63.200 0.036 0.000 0.865 1203 S HN 0.559 nan 8.310 nan 0.000 0.498 1204 E N 3.306 123.589 120.200 0.139 0.000 2.333 1204 E HA -0.099 4.251 4.350 0.001 0.000 0.198 1204 E C 1.411 178.178 176.600 0.280 0.000 1.007 1204 E CA 0.968 57.497 56.400 0.216 0.000 0.845 1204 E CB -0.017 29.865 29.700 0.304 0.000 0.766 1204 E HN 0.640 nan 8.360 nan 0.000 0.507 1205 V N 0.800 120.915 119.914 0.336 0.000 2.515 1205 V HA -0.227 3.893 4.120 0.001 0.000 0.250 1205 V C 2.231 178.511 176.094 0.309 0.000 1.058 1205 V CA 1.697 64.216 62.300 0.364 0.000 1.064 1205 V CB -0.272 31.738 31.823 0.312 0.000 0.675 1205 V HN 0.427 nan 8.190 nan 0.000 0.461 1206 M N 0.454 120.181 119.600 0.211 0.000 2.349 1206 M HA 0.110 4.591 4.480 0.001 0.000 0.266 1206 M C 1.899 178.285 176.300 0.144 0.000 1.076 1206 M CA 1.791 57.181 55.300 0.151 0.000 1.126 1206 M CB -0.470 32.181 32.600 0.084 0.000 1.392 1206 M HN 0.210 nan 8.290 nan 0.000 0.440 1207 A N -0.622 122.299 122.820 0.167 0.000 1.872 1207 A HA -0.125 4.195 4.320 0.001 0.000 0.214 1207 A C 2.261 179.947 177.584 0.171 0.000 1.187 1207 A CA 1.676 53.831 52.037 0.198 0.000 0.614 1207 A CB -1.446 17.665 19.000 0.184 0.000 0.826 1207 A HN 0.666 nan 8.150 nan 0.000 0.442 1208 C N -1.036 118.368 119.300 0.173 0.000 2.413 1208 C HA -0.098 4.363 4.460 0.001 0.000 0.276 1208 C C 2.509 177.529 174.990 0.050 0.000 1.248 1208 C CA 1.049 60.137 59.018 0.116 0.000 1.742 1208 C CB -1.592 26.246 27.740 0.164 0.000 2.017 1208 C HN 0.660 nan 8.230 nan 0.000 0.481 1209 L N 1.173 122.448 121.223 0.086 0.000 2.021 1209 L HA -0.192 4.149 4.340 0.001 0.000 0.215 1209 L C 2.221 179.056 176.870 -0.058 0.000 1.074 1209 L CA 2.078 56.931 54.840 0.021 0.000 0.760 1209 L CB -0.832 41.271 42.059 0.074 0.000 0.889 1209 L HN 0.441 nan 8.230 nan 0.000 0.433 1210 C N -0.866 118.435 119.300 0.002 0.000 2.539 1210 C HA 0.123 4.583 4.460 0.001 0.000 0.271 1210 C C 2.168 177.185 174.990 0.046 0.000 1.412 1210 C CA 0.283 59.314 59.018 0.022 0.000 1.729 1210 C CB -1.450 26.372 27.740 0.136 0.000 1.739 1210 C HN 0.558 nan 8.230 nan 0.000 0.570 1211 L N -0.921 120.287 121.223 -0.024 0.000 3.128 1211 L HA 0.297 4.638 4.340 0.001 0.000 0.277 1211 L C 1.320 178.186 176.870 -0.007 0.000 1.171 1211 L CA 0.016 54.809 54.840 -0.078 0.000 1.008 1211 L CB -0.259 41.692 42.059 -0.180 0.000 1.442 1211 L HN 0.101 nan 8.230 nan 0.000 0.584 1212 A N -0.156 122.640 122.820 -0.040 0.000 2.425 1212 A HA 0.299 4.620 4.320 0.001 0.000 0.242 1212 A C 1.266 178.796 177.584 -0.090 0.000 1.077 1212 A CA 0.300 52.295 52.037 -0.069 0.000 0.781 1212 A CB 0.585 19.515 19.000 -0.117 0.000 1.020 1212 A HN 0.167 nan 8.150 nan 0.000 0.494 1213 S N 0.361 116.005 115.700 -0.094 0.000 2.362 1213 S HA 0.009 4.480 4.470 0.001 0.000 0.221 1213 S C 0.650 175.191 174.600 -0.098 0.000 1.032 1213 S CA 1.211 59.346 58.200 -0.108 0.000 0.973 1213 S CB -0.282 62.866 63.200 -0.087 0.000 0.849 1213 S HN 0.943 nan 8.310 nan 0.000 0.465 1214 D N -1.589 118.765 120.400 -0.077 0.000 2.851 1214 D HA 0.103 4.743 4.640 0.001 0.000 0.339 1214 D C 0.576 176.837 176.300 -0.064 0.000 1.347 1214 D CA -0.697 53.273 54.000 -0.051 0.000 0.888 1214 D CB 0.312 41.101 40.800 -0.019 0.000 1.431 1214 D HN -0.046 nan 8.370 nan 0.000 0.509 1215 L N -0.387 120.811 121.223 -0.041 0.000 2.079 1215 L HA -0.143 4.197 4.340 0.001 0.000 0.210 1215 L C 2.186 179.008 176.870 -0.080 0.000 1.081 1215 L CA 1.423 56.231 54.840 -0.053 0.000 0.752 1215 L CB -0.326 41.723 42.059 -0.016 0.000 0.896 1215 L HN 0.380 nan 8.230 nan 0.000 0.433 1216 M N -1.404 118.159 119.600 -0.060 0.000 2.349 1216 M HA -0.129 4.352 4.480 0.001 0.000 0.266 1216 M C 1.708 177.955 176.300 -0.088 0.000 1.076 1216 M CA 1.104 56.367 55.300 -0.063 0.000 1.126 1216 M CB -1.192 31.385 32.600 -0.038 0.000 1.392 1216 M HN 0.162 nan 8.290 nan 0.000 0.440 1217 D N 0.532 120.872 120.400 -0.099 0.000 2.194 1217 D HA -0.093 4.547 4.640 0.001 0.000 0.204 1217 D C 1.979 178.176 176.300 -0.170 0.000 0.964 1217 D CA 0.579 54.512 54.000 -0.111 0.000 0.846 1217 D CB 0.180 40.921 40.800 -0.099 0.000 0.962 1217 D HN 0.156 nan 8.370 nan 0.000 0.490 1218 L N 1.281 122.366 121.223 -0.231 0.000 1.955 1218 L HA -0.113 4.228 4.340 0.001 0.000 0.213 1218 L C 2.254 178.777 176.870 -0.578 0.000 1.072 1218 L CA 1.927 56.501 54.840 -0.443 0.000 0.755 1218 L CB -0.683 41.095 42.059 -0.467 0.000 0.888 1218 L HN -0.079 nan 8.230 nan 0.000 0.432 1219 K N -0.755 119.423 120.400 -0.371 0.000 2.293 1219 K HA -0.284 4.037 4.320 0.001 0.000 0.204 1219 K C 2.054 178.611 176.600 -0.072 0.000 1.045 1219 K CA 1.929 58.113 56.287 -0.171 0.000 0.933 1219 K CB -0.121 32.345 32.500 -0.057 0.000 0.736 1219 K HN 0.602 nan 8.250 nan 0.000 0.463 1220 E N 0.258 120.396 120.200 -0.103 0.000 2.051 1220 E HA -0.138 4.213 4.350 0.001 0.000 0.189 1220 E C 1.899 178.482 176.600 -0.029 0.000 0.979 1220 E CA 0.483 56.851 56.400 -0.053 0.000 0.803 1220 E CB 0.147 29.809 29.700 -0.064 0.000 0.761 1220 E HN 0.299 nan 8.360 nan 0.000 0.451 1221 R N 0.111 120.574 120.500 -0.061 0.000 2.080 1221 R HA -0.143 4.198 4.340 0.001 0.000 0.236 1221 R C 2.416 178.788 176.300 0.120 0.000 1.137 1221 R CA 1.718 57.820 56.100 0.003 0.000 0.943 1221 R CB -0.837 29.448 30.300 -0.025 0.000 0.846 1221 R HN 0.282 nan 8.270 nan 0.000 0.431 1222 F N 1.570 121.485 119.950 -0.059 0.000 2.257 1222 F HA -0.246 4.282 4.527 0.001 0.000 0.302 1222 F C 2.356 178.072 175.800 -0.141 0.000 1.056 1222 F CA 0.965 58.902 58.000 -0.104 0.000 1.353 1222 F CB -0.160 38.791 39.000 -0.082 0.000 1.064 1222 F HN 0.233 nan 8.300 nan 0.000 0.520 1223 S N -0.851 114.900 115.700 0.086 0.000 2.556 1223 S HA 0.121 4.592 4.470 0.001 0.000 0.216 1223 S C 1.297 175.879 174.600 -0.031 0.000 0.970 1223 S CA -0.469 57.727 58.200 -0.008 0.000 0.912 1223 S CB 0.094 63.291 63.200 -0.005 0.000 0.790 1223 S HN 0.286 nan 8.310 nan 0.000 0.504 1224 R N 0.630 121.127 120.500 -0.006 0.000 2.362 1224 R HA 0.403 4.744 4.340 0.001 0.000 0.227 1224 R C 0.320 176.617 176.300 -0.006 0.000 0.905 1224 R CA -0.146 55.960 56.100 0.011 0.000 1.067 1224 R CB 0.075 30.399 30.300 0.040 0.000 1.078 1224 R HN 0.469 nan 8.270 nan 0.000 0.516 1225 I N 2.357 122.883 120.570 -0.073 0.000 2.517 1225 I HA 0.018 4.189 4.170 0.001 0.000 0.285 1225 I C -0.293 175.696 176.117 -0.212 0.000 1.106 1225 I CA -0.177 61.032 61.300 -0.151 0.000 1.402 1225 I CB 0.813 38.637 38.000 -0.292 0.000 1.399 1225 I HN -0.259 nan 8.210 nan 0.000 0.535 1226 V N 8.422 128.230 119.914 -0.177 0.000 2.427 1226 V HA 0.029 4.150 4.120 0.001 0.000 0.268 1226 V C 1.088 177.074 176.094 -0.181 0.000 1.046 1226 V CA -0.165 62.008 62.300 -0.211 0.000 0.970 1226 V CB 0.880 32.561 31.823 -0.237 0.000 1.001 1226 V HN 0.797 nan 8.190 nan 0.000 0.476 1227 V N 2.784 122.561 119.914 -0.227 0.000 2.426 1227 V HA 0.541 4.661 4.120 0.001 0.000 0.242 1227 V C 0.977 177.042 176.094 -0.048 0.000 1.036 1227 V CA 1.340 63.560 62.300 -0.132 0.000 1.044 1227 V CB -0.751 30.936 31.823 -0.228 0.000 0.688 1227 V HN 0.907 nan 8.190 nan 0.000 0.462 1228 G N -1.986 106.715 108.800 -0.165 0.000 2.650 1228 G HA2 0.611 4.572 3.960 0.001 0.000 0.310 1228 G HA3 0.611 4.572 3.960 0.001 0.000 0.310 1228 G C -2.160 172.532 174.900 -0.346 0.000 1.270 1228 G CA -0.734 44.304 45.100 -0.102 0.000 0.810 1228 G HN 0.120 nan 8.290 nan 0.000 0.493 1229 Y N -0.514 119.764 120.300 -0.037 0.000 2.598 1229 Y HA 0.652 5.202 4.550 0.001 0.000 0.340 1229 Y C 1.123 176.966 175.900 -0.094 0.000 1.038 1229 Y CA -0.238 57.838 58.100 -0.040 0.000 1.100 1229 Y CB 2.018 40.467 38.460 -0.019 0.000 1.281 1229 Y HN 0.765 nan 8.280 nan 0.000 0.488 1230 T N -3.007 111.597 114.554 0.084 0.000 2.770 1230 T HA 0.125 4.475 4.350 0.001 0.000 0.281 1230 T C 0.343 175.036 174.700 -0.012 0.000 0.981 1230 T CA -0.094 62.008 62.100 0.003 0.000 0.955 1230 T CB 0.217 69.130 68.868 0.074 0.000 1.060 1230 T HN 0.575 nan 8.240 nan 0.000 0.531 1231 Y N -0.372 119.978 120.300 0.083 0.000 2.578 1231 Y HA 0.115 4.665 4.550 0.001 0.000 0.297 1231 Y C 1.642 177.576 175.900 0.057 0.000 1.176 1231 Y CA 0.068 58.207 58.100 0.064 0.000 1.315 1231 Y CB 0.045 38.533 38.460 0.046 0.000 1.031 1231 Y HN 0.591 nan 8.280 nan 0.000 0.524 1232 D N -1.853 118.655 120.400 0.179 0.000 2.441 1232 D HA 0.175 4.816 4.640 0.001 0.000 0.210 1232 D C 1.918 178.284 176.300 0.110 0.000 1.102 1232 D CA 0.979 55.056 54.000 0.129 0.000 0.840 1232 D CB 0.767 41.635 40.800 0.113 0.000 0.990 1232 D HN 0.323 nan 8.370 nan 0.000 0.505 1233 G N 1.581 110.460 108.800 0.132 0.000 2.258 1233 G HA2 -0.295 3.666 3.960 0.001 0.000 0.233 1233 G HA3 -0.295 3.666 3.960 0.001 0.000 0.233 1233 G C 0.550 175.632 174.900 0.303 0.000 1.006 1233 G CA 0.176 45.359 45.100 0.138 0.000 0.620 1233 G HN 0.370 nan 8.290 nan 0.000 0.511 1234 K N 2.036 122.562 120.400 0.211 0.000 2.489 1234 K HA 0.319 4.639 4.320 0.001 0.000 0.278 1234 K C -2.373 174.326 176.600 0.164 0.000 1.000 1234 K CA -0.749 55.646 56.287 0.180 0.000 1.012 1234 K CB 0.498 33.060 32.500 0.103 0.000 0.903 1234 K HN 0.135 nan 8.250 nan 0.000 0.485 1235 P HA 0.069 nan 4.420 nan 0.000 0.281 1235 P C -1.290 175.911 177.300 -0.164 0.000 1.252 1235 P CA -0.453 62.534 63.100 -0.188 0.000 0.778 1235 P CB 1.125 32.786 31.700 -0.065 0.000 0.895 1236 V N 3.734 123.493 119.914 -0.259 0.000 2.384 1236 V HA 0.421 4.541 4.120 0.001 0.000 0.287 1236 V C 0.587 176.552 176.094 -0.216 0.000 1.020 1236 V CA -0.312 61.876 62.300 -0.186 0.000 0.850 1236 V CB 1.316 33.040 31.823 -0.166 0.000 0.987 1236 V HN 0.628 nan 8.190 nan 0.000 0.436 1237 T N 1.791 116.241 114.554 -0.174 0.000 2.952 1237 T HA 0.640 4.991 4.350 0.001 0.000 0.286 1237 T C 1.270 175.843 174.700 -0.211 0.000 1.024 1237 T CA -0.005 61.986 62.100 -0.182 0.000 1.029 1237 T CB 1.974 70.773 68.868 -0.115 0.000 1.094 1237 T HN 0.694 nan 8.240 nan 0.000 0.515 1238 A N 0.999 123.662 122.820 -0.261 0.000 2.084 1238 A HA 0.120 4.440 4.320 0.001 0.000 0.221 1238 A C 2.281 179.748 177.584 -0.195 0.000 1.161 1238 A CA 1.890 53.749 52.037 -0.297 0.000 0.653 1238 A CB -1.589 17.173 19.000 -0.397 0.000 0.802 1238 A HN 1.109 nan 8.150 nan 0.000 0.457 1239 G N -0.240 108.475 108.800 -0.141 0.000 2.404 1239 G HA2 -0.213 3.748 3.960 0.001 0.000 0.215 1239 G HA3 -0.213 3.748 3.960 0.001 0.000 0.215 1239 G C 1.139 175.975 174.900 -0.106 0.000 1.174 1239 G CA 0.980 46.022 45.100 -0.096 0.000 0.780 1239 G HN 0.479 nan 8.290 nan 0.000 0.537 1240 D N 0.479 120.805 120.400 -0.123 0.000 2.228 1240 D HA -0.078 4.563 4.640 0.001 0.000 0.203 1240 D C 2.151 178.351 176.300 -0.167 0.000 0.988 1240 D CA 0.657 54.578 54.000 -0.133 0.000 0.864 1240 D CB 0.003 40.715 40.800 -0.146 0.000 0.928 1240 D HN 0.290 nan 8.370 nan 0.000 0.469 1241 L N 0.623 121.735 121.223 -0.186 0.000 2.611 1241 L HA 0.025 4.365 4.340 0.001 0.000 0.229 1241 L C 0.147 176.941 176.870 -0.126 0.000 1.137 1241 L CA -0.005 54.720 54.840 -0.191 0.000 0.901 1241 L CB 0.107 42.039 42.059 -0.212 0.000 1.098 1241 L HN -0.170 nan 8.230 nan 0.000 0.456 1242 E N -0.439 119.699 120.200 -0.102 0.000 2.440 1242 E HA -0.283 4.068 4.350 0.001 0.000 0.246 1242 E C 0.996 177.560 176.600 -0.061 0.000 1.165 1242 E CA 0.790 57.150 56.400 -0.066 0.000 0.726 1242 E CB -1.250 28.421 29.700 -0.048 0.000 1.271 1242 E HN 0.580 nan 8.360 nan 0.000 0.397 1243 A N 0.277 123.044 122.820 -0.087 0.000 2.169 1243 A HA -0.068 4.253 4.320 0.001 0.000 0.210 1243 A C 2.144 179.694 177.584 -0.056 0.000 1.168 1243 A CA 0.688 52.672 52.037 -0.088 0.000 0.813 1243 A CB 0.094 19.003 19.000 -0.152 0.000 0.861 1243 A HN 0.276 nan 8.150 nan 0.000 0.481 1244 Q N 0.382 120.168 119.800 -0.024 0.000 2.181 1244 Q HA -0.140 4.200 4.340 0.001 0.000 0.205 1244 Q C 1.756 177.816 176.000 0.101 0.000 0.980 1244 Q CA 2.050 57.901 55.803 0.080 0.000 0.862 1244 Q CB -1.400 27.393 28.738 0.093 0.000 0.905 1244 Q HN 0.391 nan 8.270 nan 0.000 0.429 1245 G N 1.340 110.167 108.800 0.045 0.000 2.545 1245 G HA2 -0.317 3.644 3.960 0.001 0.000 0.217 1245 G HA3 -0.317 3.644 3.960 0.001 0.000 0.217 1245 G C 1.599 176.535 174.900 0.060 0.000 1.218 1245 G CA 1.617 46.744 45.100 0.045 0.000 0.787 1245 G HN 0.478 nan 8.290 nan 0.000 0.571 1246 S N 0.390 116.114 115.700 0.041 0.000 2.353 1246 S HA -0.157 4.314 4.470 0.001 0.000 0.222 1246 S C 2.441 177.085 174.600 0.075 0.000 1.035 1246 S CA 1.752 59.980 58.200 0.046 0.000 1.025 1246 S CB -0.368 62.848 63.200 0.026 0.000 0.902 1246 S HN 0.378 nan 8.310 nan 0.000 0.440 1247 M N 1.295 120.932 119.600 0.062 0.000 2.226 1247 M HA -0.273 4.208 4.480 0.001 0.000 0.257 1247 M C 2.511 178.969 176.300 0.262 0.000 1.070 1247 M CA 1.895 57.243 55.300 0.081 0.000 1.087 1247 M CB -0.852 31.661 32.600 -0.146 0.000 1.278 1247 M HN 0.417 nan 8.290 nan 0.000 0.426 1248 A N 0.253 123.288 122.820 0.358 0.000 1.896 1248 A HA -0.268 4.052 4.320 0.001 0.000 0.220 1248 A C 2.109 179.792 177.584 0.165 0.000 1.206 1248 A CA 2.300 54.492 52.037 0.258 0.000 0.647 1248 A CB -1.257 17.824 19.000 0.136 0.000 0.828 1248 A HN 0.529 nan 8.150 nan 0.000 0.455 1249 L N -0.911 120.385 121.223 0.121 0.000 2.189 1249 L HA -0.131 4.209 4.340 0.001 0.000 0.214 1249 L C 1.890 178.818 176.870 0.097 0.000 1.097 1249 L CA 1.515 56.408 54.840 0.088 0.000 0.764 1249 L CB -0.266 41.833 42.059 0.066 0.000 0.900 1249 L HN 0.325 nan 8.230 nan 0.000 0.436 1250 L N -1.132 120.166 121.223 0.125 0.000 2.418 1250 L HA 0.028 4.368 4.340 0.001 0.000 0.218 1250 L C 1.699 178.661 176.870 0.152 0.000 1.125 1250 L CA 0.842 55.758 54.840 0.127 0.000 0.835 1250 L CB -0.768 41.377 42.059 0.145 0.000 0.953 1250 L HN 0.392 nan 8.230 nan 0.000 0.454 1251 M N -0.971 118.738 119.600 0.182 0.000 2.404 1251 M HA 0.043 4.523 4.480 0.001 0.000 0.271 1251 M C 1.747 178.121 176.300 0.124 0.000 1.128 1251 M CA 0.136 55.547 55.300 0.185 0.000 0.982 1251 M CB -0.018 32.742 32.600 0.266 0.000 1.445 1251 M HN 0.169 nan 8.290 nan 0.000 0.495 1252 K N 1.312 121.773 120.400 0.101 0.000 2.044 1252 K HA -0.216 4.105 4.320 0.001 0.000 0.210 1252 K C 0.599 177.239 176.600 0.067 0.000 1.049 1252 K CA 2.050 58.381 56.287 0.073 0.000 0.927 1252 K CB 0.224 32.762 32.500 0.063 0.000 0.713 1252 K HN 0.131 nan 8.250 nan 0.000 0.443 1253 D N -0.765 119.679 120.400 0.072 0.000 2.354 1253 D HA 0.088 4.729 4.640 0.001 0.000 0.209 1253 D C 1.015 177.337 176.300 0.037 0.000 1.015 1253 D CA 0.583 54.621 54.000 0.062 0.000 0.867 1253 D CB 0.538 41.389 40.800 0.086 0.000 0.933 1253 D HN 0.346 nan 8.370 nan 0.000 0.520 1254 A N 0.074 122.934 122.820 0.067 0.000 2.251 1254 A HA 0.081 4.402 4.320 0.001 0.000 0.209 1254 A C 1.718 179.382 177.584 0.134 0.000 1.187 1254 A CA 0.031 52.116 52.037 0.080 0.000 0.823 1254 A CB -0.203 18.880 19.000 0.138 0.000 0.846 1254 A HN 0.164 nan 8.150 nan 0.000 0.486 1255 I N -0.546 120.085 120.570 0.102 0.000 3.684 1255 I HA 0.090 4.261 4.170 0.001 0.000 0.304 1255 I C 0.248 176.437 176.117 0.120 0.000 1.278 1255 I CA 0.354 61.733 61.300 0.132 0.000 1.272 1255 I CB -0.186 37.852 38.000 0.064 0.000 1.029 1255 I HN 0.050 nan 8.210 nan 0.000 0.458 1256 K N 3.171 123.561 120.400 -0.016 0.000 2.156 1256 K HA 0.366 4.687 4.320 0.001 0.000 0.271 1256 K C -2.343 174.029 176.600 -0.380 0.000 0.995 1256 K CA -1.909 54.323 56.287 -0.092 0.000 0.890 1256 K CB 0.696 33.169 32.500 -0.045 0.000 1.073 1256 K HN -0.065 nan 8.250 nan 0.000 0.454 1257 P HA -0.031 nan 4.420 nan 0.000 0.271 1257 P C -1.053 176.172 177.300 -0.124 0.000 1.233 1257 P CA -0.266 62.620 63.100 -0.357 0.000 0.789 1257 P CB 0.570 32.015 31.700 -0.425 0.000 0.951 1258 N N 1.018 119.752 118.700 0.058 0.000 2.417 1258 N HA 0.293 5.034 4.740 0.001 0.000 0.274 1258 N C -0.675 175.013 175.510 0.297 0.000 0.987 1258 N CA -0.497 52.607 53.050 0.090 0.000 0.912 1258 N CB 1.244 39.754 38.487 0.039 0.000 1.177 1258 N HN 0.298 nan 8.380 nan 0.000 0.490 1259 L N 3.615 124.942 121.223 0.174 0.000 2.292 1259 L HA 0.595 4.936 4.340 0.001 0.000 0.284 1259 L C -0.459 176.452 176.870 0.070 0.000 1.065 1259 L CA -0.492 54.388 54.840 0.067 0.000 0.806 1259 L CB 0.960 43.014 42.059 -0.009 0.000 1.175 1259 L HN 0.394 nan 8.230 nan 0.000 0.431 1260 V N 2.842 122.791 119.914 0.059 0.000 3.167 1260 V HA 0.534 4.655 4.120 0.001 0.000 0.293 1260 V C -0.974 175.145 176.094 0.043 0.000 1.379 1260 V CA -0.916 61.446 62.300 0.103 0.000 1.019 1260 V CB 1.380 33.337 31.823 0.223 0.000 1.115 1260 V HN 0.978 nan 8.190 nan 0.000 0.442 1261 Q N 1.342 121.169 119.800 0.046 0.000 2.207 1261 Q HA 0.648 4.988 4.340 0.001 0.000 0.237 1261 Q C -0.280 175.725 176.000 0.008 0.000 0.998 1261 Q CA -0.397 55.414 55.803 0.013 0.000 0.951 1261 Q CB 1.610 30.358 28.738 0.017 0.000 1.213 1261 Q HN 0.801 nan 8.270 nan 0.000 0.499 1262 T N 0.347 114.899 114.554 -0.003 0.000 2.833 1262 T HA 0.215 4.565 4.350 0.001 0.000 0.312 1262 T C 1.570 176.261 174.700 -0.015 0.000 1.085 1262 T CA -0.545 61.549 62.100 -0.009 0.000 0.955 1262 T CB 0.132 68.996 68.868 -0.006 0.000 1.353 1262 T HN 0.516 nan 8.240 nan 0.000 0.544 1263 L N 0.198 121.411 121.223 -0.018 0.000 2.023 1263 L HA -0.003 4.337 4.340 0.001 0.000 0.205 1263 L C 2.355 179.221 176.870 -0.007 0.000 1.073 1263 L CA 1.442 56.269 54.840 -0.022 0.000 0.745 1263 L CB -0.458 41.591 42.059 -0.016 0.000 0.900 1263 L HN 0.686 nan 8.230 nan 0.000 0.435 1264 E N 0.341 120.543 120.200 0.002 0.000 2.485 1264 E HA -0.060 4.290 4.350 0.001 0.000 0.194 1264 E C -0.159 176.442 176.600 0.001 0.000 1.098 1264 E CA -0.038 56.364 56.400 0.003 0.000 0.878 1264 E CB -0.061 29.641 29.700 0.003 0.000 0.939 1264 E HN 0.411 nan 8.360 nan 0.000 0.503 1265 N N 0.491 119.191 118.700 0.000 0.000 2.901 1265 N HA -0.114 4.626 4.740 0.001 0.000 0.248 1265 N C -0.615 174.895 175.510 -0.000 0.000 1.044 1265 N CA 1.044 54.097 53.050 0.004 0.000 0.847 1265 N CB -1.628 36.865 38.487 0.010 0.000 1.127 1265 N HN 0.135 nan 8.380 nan 0.000 0.562 1266 T N 1.830 116.381 114.554 -0.005 0.000 2.913 1266 T HA 0.367 4.717 4.350 0.001 0.000 0.297 1266 T C -2.191 172.494 174.700 -0.025 0.000 1.029 1266 T CA -0.655 61.440 62.100 -0.010 0.000 1.104 1266 T CB 1.651 70.516 68.868 -0.006 0.000 0.964 1266 T HN -0.038 nan 8.240 nan 0.000 0.532 1267 P HA 0.544 nan 4.420 nan 0.000 0.276 1267 P C -1.324 175.907 177.300 -0.116 0.000 1.244 1267 P CA -0.432 62.610 63.100 -0.097 0.000 0.801 1267 P CB 0.697 32.312 31.700 -0.140 0.000 1.006 1268 A N 1.444 124.173 122.820 -0.153 0.000 2.572 1268 A HA 0.736 5.057 4.320 0.001 0.000 0.295 1268 A C -1.782 175.735 177.584 -0.111 0.000 1.072 1268 A CA -0.311 51.671 52.037 -0.092 0.000 0.691 1268 A CB 0.876 19.872 19.000 -0.007 0.000 1.291 1268 A HN 0.291 nan 8.150 nan 0.000 0.404 1269 F N 0.868 120.860 119.950 0.070 0.000 2.467 1269 F HA 0.617 5.145 4.527 0.001 0.000 0.336 1269 F C -0.057 175.804 175.800 0.101 0.000 1.123 1269 F CA -0.875 57.182 58.000 0.096 0.000 0.964 1269 F CB 1.802 40.860 39.000 0.097 0.000 1.136 1269 F HN 0.366 nan 8.300 nan 0.000 0.447 1270 I N 4.111 124.910 120.570 0.382 0.000 2.382 1270 I HA 0.331 4.502 4.170 0.001 0.000 0.286 1270 I C -0.990 175.327 176.117 0.333 0.000 1.002 1270 I CA -0.384 61.060 61.300 0.241 0.000 1.135 1270 I CB 1.385 39.438 38.000 0.088 0.000 1.288 1270 I HN 0.616 nan 8.210 nan 0.000 0.448 1271 H N 5.310 124.443 119.070 0.105 0.000 3.222 1271 H HA 0.442 4.999 4.556 0.001 0.000 0.315 1271 H C -0.174 175.177 175.328 0.038 0.000 1.116 1271 H CA 0.060 56.155 56.048 0.078 0.000 1.511 1271 H CB 1.290 31.068 29.762 0.026 0.000 2.059 1271 H HN 0.843 nan 8.280 nan 0.000 0.420 1272 G N 1.999 110.915 108.800 0.193 0.000 2.627 1272 G HA2 0.335 4.296 3.960 0.001 0.000 0.214 1272 G HA3 0.335 4.296 3.960 0.001 0.000 0.214 1272 G C -0.047 174.862 174.900 0.016 0.000 1.331 1272 G CA -0.482 44.638 45.100 0.032 0.000 0.891 1272 G HN 1.649 nan 8.290 nan 0.000 0.539 1273 G N -0.501 108.286 108.800 -0.022 0.000 2.486 1273 G HA2 0.581 4.542 3.960 0.001 0.000 0.220 1273 G HA3 0.581 4.542 3.960 0.001 0.000 0.220 1273 G C -2.462 172.427 174.900 -0.018 0.000 1.313 1273 G CA 0.687 45.761 45.100 -0.043 0.000 1.187 1273 G HN 1.091 nan 8.290 nan 0.000 0.599 1274 P HA 0.794 nan 4.420 nan 0.000 0.310 1274 P C -0.639 176.738 177.300 0.128 0.000 1.292 1274 P CA -1.096 62.021 63.100 0.028 0.000 0.861 1274 P CB 1.512 33.202 31.700 -0.017 0.000 1.337 1275 F N -0.201 119.699 119.950 -0.083 0.000 2.459 1275 F HA 0.325 4.852 4.527 0.001 0.000 0.346 1275 F C 1.556 177.297 175.800 -0.099 0.000 1.128 1275 F CA -0.398 57.554 58.000 -0.079 0.000 1.268 1275 F CB -0.146 38.858 39.000 0.007 0.000 1.161 1275 F HN 0.345 nan 8.300 nan 0.000 0.583 1276 A N 2.735 125.519 122.820 -0.061 0.000 2.684 1276 A HA 0.211 4.531 4.320 0.001 0.000 0.288 1276 A C 0.709 178.436 177.584 0.240 0.000 1.337 1276 A CA 0.166 52.177 52.037 -0.044 0.000 0.946 1276 A CB -0.986 17.786 19.000 -0.381 0.000 1.093 1276 A HN 0.904 nan 8.150 nan 0.000 0.543 1277 N N -2.142 116.726 118.700 0.279 0.000 2.160 1277 N HA 0.098 4.838 4.740 0.001 0.000 0.242 1277 N C 0.226 175.878 175.510 0.237 0.000 1.204 1277 N CA -0.105 53.105 53.050 0.266 0.000 0.813 1277 N CB 0.279 38.913 38.487 0.245 0.000 1.384 1277 N HN 0.156 nan 8.380 nan 0.000 0.476 1278 I N 1.159 121.900 120.570 0.285 0.000 4.082 1278 I HA 0.459 4.629 4.170 0.001 0.000 0.337 1278 I C 0.072 176.307 176.117 0.198 0.000 1.352 1278 I CA -0.327 61.111 61.300 0.231 0.000 1.097 1278 I CB 0.673 38.819 38.000 0.243 0.000 1.048 1278 I HN 0.372 nan 8.210 nan 0.000 0.393 1279 A N -0.969 121.982 122.820 0.218 0.000 2.586 1279 A HA 0.408 4.729 4.320 0.001 0.000 0.290 1279 A C 0.583 178.301 177.584 0.224 0.000 1.086 1279 A CA -0.380 51.797 52.037 0.233 0.000 0.665 1279 A CB 0.179 19.299 19.000 0.199 0.000 1.279 1279 A HN 0.278 nan 8.150 nan 0.000 0.423 1280 H N 0.060 119.158 119.070 0.046 0.000 2.543 1280 H HA 0.099 4.656 4.556 0.001 0.000 0.286 1280 H C 1.298 176.638 175.328 0.021 0.000 1.037 1280 H CA 1.302 57.369 56.048 0.031 0.000 1.250 1280 H CB -0.793 28.956 29.762 -0.023 0.000 1.373 1280 H HN 2.148 nan 8.280 nan 0.000 0.580 1281 G N 0.368 108.987 108.800 -0.301 0.000 2.258 1281 G HA2 -0.307 3.654 3.960 0.001 0.000 0.274 1281 G HA3 -0.307 3.654 3.960 0.001 0.000 0.274 1281 G C -0.051 174.663 174.900 -0.311 0.000 1.021 1281 G CA 0.500 45.425 45.100 -0.291 0.000 0.798 1281 G HN 0.679 nan 8.290 nan 0.000 0.507 1282 C N -0.520 118.497 119.300 -0.470 0.000 2.630 1282 C HA 0.785 5.245 4.460 0.001 0.000 0.346 1282 C C 0.697 175.567 174.990 -0.200 0.000 1.245 1282 C CA -0.564 58.336 59.018 -0.196 0.000 1.804 1282 C CB 1.444 29.253 27.740 0.114 0.000 2.279 1282 C HN 0.855 nan 8.230 nan 0.000 0.498 1283 N N 0.093 118.762 118.700 -0.051 0.000 2.405 1283 N HA 0.398 5.139 4.740 0.001 0.000 0.269 1283 N C -0.140 175.363 175.510 -0.011 0.000 1.249 1283 N CA -0.316 52.710 53.050 -0.040 0.000 0.974 1283 N CB 0.269 38.752 38.487 -0.007 0.000 1.204 1283 N HN 0.803 nan 8.380 nan 0.000 0.565 1284 S N -0.800 114.836 115.700 -0.107 0.000 2.561 1284 S HA -0.055 4.416 4.470 0.001 0.000 0.294 1284 S C 1.015 175.575 174.600 -0.067 0.000 1.294 1284 S CA -0.537 57.553 58.200 -0.184 0.000 1.055 1284 S CB -0.327 62.523 63.200 -0.583 0.000 0.819 1284 S HN 0.568 nan 8.310 nan 0.000 0.503 1285 I N 2.574 123.118 120.570 -0.043 0.000 2.439 1285 I HA -0.082 4.088 4.170 0.001 0.000 0.251 1285 I C 2.135 178.243 176.117 -0.015 0.000 1.139 1285 I CA 1.068 62.391 61.300 0.037 0.000 1.438 1285 I CB -0.384 37.588 38.000 -0.047 0.000 1.085 1285 I HN 0.875 nan 8.210 nan 0.000 0.427 1286 I N 0.219 120.713 120.570 -0.127 0.000 2.252 1286 I HA -0.147 4.024 4.170 0.001 0.000 0.245 1286 I C 2.503 178.495 176.117 -0.207 0.000 1.102 1286 I CA 1.808 62.999 61.300 -0.181 0.000 1.385 1286 I CB -0.931 36.983 38.000 -0.144 0.000 1.064 1286 I HN -0.005 nan 8.210 nan 0.000 0.414 1287 A N 0.476 123.168 122.820 -0.214 0.000 1.972 1287 A HA -0.135 4.186 4.320 0.001 0.000 0.219 1287 A C 2.303 179.689 177.584 -0.330 0.000 1.169 1287 A CA 2.436 54.177 52.037 -0.493 0.000 0.635 1287 A CB -1.498 17.338 19.000 -0.274 0.000 0.810 1287 A HN 0.596 nan 8.150 nan 0.000 0.446 1288 T N 0.532 115.037 114.554 -0.081 0.000 2.809 1288 T HA -0.101 4.249 4.350 0.001 0.000 0.260 1288 T C 1.901 176.621 174.700 0.033 0.000 1.039 1288 T CA 1.532 63.635 62.100 0.005 0.000 1.141 1288 T CB -0.265 68.605 68.868 0.003 0.000 0.869 1288 T HN 0.827 nan 8.240 nan 0.000 0.437 1289 K N 0.977 121.452 120.400 0.125 0.000 2.280 1289 K HA -0.038 4.283 4.320 0.001 0.000 0.202 1289 K C 1.994 178.688 176.600 0.158 0.000 1.047 1289 K CA 1.309 57.706 56.287 0.183 0.000 0.942 1289 K CB -0.460 32.057 32.500 0.028 0.000 0.739 1289 K HN 0.115 nan 8.250 nan 0.000 0.457 1290 T N 0.791 115.390 114.554 0.074 0.000 2.896 1290 T HA 0.080 4.431 4.350 0.001 0.000 0.263 1290 T C 2.016 176.892 174.700 0.294 0.000 1.050 1290 T CA 0.958 63.182 62.100 0.207 0.000 1.140 1290 T CB -0.123 68.781 68.868 0.059 0.000 0.877 1290 T HN 0.461 nan 8.240 nan 0.000 0.457 1291 A N 1.272 124.273 122.820 0.301 0.000 1.933 1291 A HA 0.027 4.347 4.320 0.001 0.000 0.218 1291 A C 2.193 179.881 177.584 0.174 0.000 1.175 1291 A CA 1.159 53.396 52.037 0.334 0.000 0.628 1291 A CB -0.822 18.378 19.000 0.332 0.000 0.814 1291 A HN 0.479 nan 8.150 nan 0.000 0.444 1292 L N -1.489 119.808 121.223 0.124 0.000 2.191 1292 L HA -0.163 4.177 4.340 0.001 0.000 0.212 1292 L C 2.380 179.307 176.870 0.094 0.000 1.103 1292 L CA 1.382 56.267 54.840 0.076 0.000 0.769 1292 L CB -0.178 41.913 42.059 0.054 0.000 0.908 1292 L HN 0.227 nan 8.230 nan 0.000 0.438 1293 K N -0.343 120.145 120.400 0.146 0.000 2.202 1293 K HA 0.095 4.416 4.320 0.001 0.000 0.201 1293 K C 1.777 178.428 176.600 0.085 0.000 1.051 1293 K CA 0.683 57.037 56.287 0.112 0.000 0.977 1293 K CB 0.031 32.611 32.500 0.133 0.000 0.792 1293 K HN 0.136 nan 8.250 nan 0.000 0.469 1294 L N -0.198 121.094 121.223 0.115 0.000 2.492 1294 L HA 0.196 4.537 4.340 0.001 0.000 0.223 1294 L C 0.837 177.740 176.870 0.055 0.000 1.132 1294 L CA -0.103 54.791 54.840 0.089 0.000 0.850 1294 L CB -0.204 41.928 42.059 0.121 0.000 0.966 1294 L HN 0.020 nan 8.230 nan 0.000 0.454 1295 A N -0.926 121.924 122.820 0.050 0.000 2.483 1295 A HA 0.509 4.830 4.320 0.001 0.000 0.286 1295 A C -0.373 177.190 177.584 -0.036 0.000 1.207 1295 A CA -0.471 51.580 52.037 0.023 0.000 0.764 1295 A CB 1.175 20.205 19.000 0.050 0.000 1.341 1295 A HN -0.041 nan 8.150 nan 0.000 0.428 1296 D N -1.761 118.584 120.400 -0.092 0.000 2.449 1296 D HA 0.253 4.894 4.640 0.001 0.000 0.210 1296 D C -1.310 174.621 176.300 -0.614 0.000 1.094 1296 D CA 1.202 55.001 54.000 -0.334 0.000 0.846 1296 D CB 0.445 41.010 40.800 -0.390 0.000 1.003 1296 D HN 0.356 nan 8.370 nan 0.000 0.504 1297 Y N -0.251 120.056 120.300 0.012 0.000 2.401 1297 Y HA 0.425 4.975 4.550 0.001 0.000 0.330 1297 Y C -0.632 175.271 175.900 0.004 0.000 1.071 1297 Y CA -1.002 57.101 58.100 0.005 0.000 1.049 1297 Y CB 2.005 40.468 38.460 0.004 0.000 1.239 1297 Y HN -0.423 nan 8.280 nan 0.000 0.437 1298 V N 4.381 124.378 119.914 0.138 0.000 2.483 1298 V HA 0.615 4.735 4.120 0.001 0.000 0.297 1298 V C -0.675 175.448 176.094 0.049 0.000 1.027 1298 V CA -0.921 61.425 62.300 0.077 0.000 0.855 1298 V CB 1.750 33.591 31.823 0.030 0.000 0.995 1298 V HN 0.520 nan 8.190 nan 0.000 0.424 1299 V N 3.366 123.301 119.914 0.036 0.000 2.483 1299 V HA 0.823 4.944 4.120 0.001 0.000 0.295 1299 V C 0.110 176.192 176.094 -0.020 0.000 1.035 1299 V CA -0.238 62.060 62.300 -0.003 0.000 0.896 1299 V CB 1.781 33.600 31.823 -0.007 0.000 0.986 1299 V HN 0.956 nan 8.190 nan 0.000 0.447 1300 T N 2.906 117.415 114.554 -0.075 0.000 2.889 1300 T HA 0.536 4.887 4.350 0.001 0.000 0.315 1300 T C -1.061 173.517 174.700 -0.205 0.000 1.291 1300 T CA -0.567 61.476 62.100 -0.096 0.000 1.028 1300 T CB 1.934 70.770 68.868 -0.054 0.000 1.235 1300 T HN 1.005 nan 8.240 nan 0.000 0.491 1301 E N 1.803 121.887 120.200 -0.194 0.000 2.316 1301 E HA 0.834 5.185 4.350 0.001 0.000 0.258 1301 E C -1.141 175.290 176.600 -0.283 0.000 0.952 1301 E CA -1.374 54.881 56.400 -0.243 0.000 0.818 1301 E CB 2.079 31.682 29.700 -0.162 0.000 1.260 1301 E HN 0.731 nan 8.360 nan 0.000 0.416 1302 A N 0.580 123.229 122.820 -0.285 0.000 2.488 1302 A HA 0.640 4.961 4.320 0.001 0.000 0.298 1302 A C 0.126 177.576 177.584 -0.222 0.000 1.044 1302 A CA -0.337 51.550 52.037 -0.251 0.000 0.693 1302 A CB 1.305 20.126 19.000 -0.298 0.000 1.272 1302 A HN 0.790 nan 8.150 nan 0.000 0.402 1303 G N 0.746 109.393 108.800 -0.255 0.000 2.905 1303 G HA2 0.361 4.322 3.960 0.001 0.000 0.233 1303 G HA3 0.361 4.322 3.960 0.001 0.000 0.233 1303 G C 0.340 175.087 174.900 -0.254 0.000 1.243 1303 G CA 0.740 45.611 45.100 -0.381 0.000 0.856 1303 G HN 1.051 nan 8.290 nan 0.000 0.594 1304 F N -0.424 119.432 119.950 -0.157 0.000 1.383 1304 F HA -0.233 4.294 4.527 0.001 0.000 0.066 1304 F C 2.029 177.726 175.800 -0.170 0.000 0.134 1304 F CA 1.128 59.019 58.000 -0.182 0.000 0.284 1304 F CB -1.450 37.431 39.000 -0.199 0.000 0.713 1304 F HN 0.872 nan 8.300 nan 0.000 0.665 1305 G N -0.878 107.968 108.800 0.076 0.000 2.529 1305 G HA2 0.440 4.400 3.960 0.001 0.000 0.277 1305 G HA3 0.440 4.400 3.960 0.001 0.000 0.277 1305 G C 0.585 175.476 174.900 -0.015 0.000 1.383 1305 G CA 0.073 45.129 45.100 -0.074 0.000 1.050 1305 G HN 1.175 nan 8.290 nan 0.000 0.526 1306 A N -0.933 121.891 122.820 0.007 0.000 2.275 1306 A HA 0.178 4.498 4.320 0.001 0.000 0.212 1306 A C 1.609 179.416 177.584 0.371 0.000 1.201 1306 A CA 1.219 53.364 52.037 0.179 0.000 0.843 1306 A CB -0.006 19.151 19.000 0.262 0.000 0.873 1306 A HN 0.580 nan 8.150 nan 0.000 0.492 1307 D N -0.455 120.199 120.400 0.424 0.000 2.354 1307 D HA 0.054 4.695 4.640 0.001 0.000 0.209 1307 D C 1.409 177.965 176.300 0.426 0.000 1.015 1307 D CA 0.289 54.601 54.000 0.520 0.000 0.867 1307 D CB 0.089 41.236 40.800 0.579 0.000 0.933 1307 D HN 0.481 nan 8.370 nan 0.000 0.520 1308 L N 0.110 121.493 121.223 0.266 0.000 2.924 1308 L HA 0.284 4.625 4.340 0.001 0.000 0.172 1308 L C 2.643 179.613 176.870 0.168 0.000 1.292 1308 L CA 0.663 55.647 54.840 0.240 0.000 0.870 1308 L CB -0.859 41.337 42.059 0.228 0.000 1.305 1308 L HN 0.026 nan 8.230 nan 0.000 0.535 1309 G N 0.155 109.012 108.800 0.094 0.000 2.446 1309 G HA2 -0.265 3.695 3.960 0.001 0.000 0.217 1309 G HA3 -0.265 3.695 3.960 0.001 0.000 0.217 1309 G C 1.646 176.514 174.900 -0.053 0.000 1.168 1309 G CA 1.143 46.242 45.100 -0.002 0.000 0.771 1309 G HN 0.439 nan 8.290 nan 0.000 0.551 1310 A N 1.424 124.186 122.820 -0.097 0.000 1.837 1310 A HA -0.172 4.149 4.320 0.001 0.000 0.216 1310 A C 2.149 179.525 177.584 -0.347 0.000 1.210 1310 A CA 2.784 54.649 52.037 -0.285 0.000 0.632 1310 A CB -1.014 17.938 19.000 -0.080 0.000 0.843 1310 A HN 0.502 nan 8.150 nan 0.000 0.448 1311 E N 0.486 120.670 120.200 -0.027 0.000 2.110 1311 E HA -0.300 4.051 4.350 0.001 0.000 0.225 1311 E C 1.776 178.466 176.600 0.151 0.000 1.063 1311 E CA 2.671 59.161 56.400 0.150 0.000 0.906 1311 E CB -0.544 29.369 29.700 0.353 0.000 0.795 1311 E HN 0.646 nan 8.360 nan 0.000 0.479 1312 K N -0.784 119.715 120.400 0.165 0.000 2.152 1312 K HA -0.154 4.166 4.320 0.001 0.000 0.206 1312 K C 2.238 178.911 176.600 0.121 0.000 1.048 1312 K CA 1.233 57.623 56.287 0.171 0.000 0.933 1312 K CB -0.487 32.131 32.500 0.197 0.000 0.721 1312 K HN 0.220 nan 8.250 nan 0.000 0.447 1313 F N 1.163 121.035 119.950 -0.130 0.000 2.134 1313 F HA -0.240 4.287 4.527 0.001 0.000 0.299 1313 F C 1.787 177.555 175.800 -0.054 0.000 1.097 1313 F CA 1.433 59.326 58.000 -0.178 0.000 1.264 1313 F CB -0.296 38.449 39.000 -0.426 0.000 1.001 1313 F HN -0.016 nan 8.300 nan 0.000 0.479 1314 Y N -0.196 120.169 120.300 0.109 0.000 2.176 1314 Y HA -0.120 4.430 4.550 0.001 0.000 0.291 1314 Y C 2.137 178.150 175.900 0.189 0.000 1.122 1314 Y CA 0.537 58.767 58.100 0.217 0.000 1.128 1314 Y CB -0.529 38.069 38.460 0.229 0.000 1.005 1314 Y HN -0.092 nan 8.280 nan 0.000 0.509 1315 D N -0.508 120.061 120.400 0.283 0.000 2.363 1315 D HA -0.031 4.610 4.640 0.001 0.000 0.220 1315 D C 1.190 177.507 176.300 0.028 0.000 0.994 1315 D CA 0.606 54.652 54.000 0.077 0.000 0.890 1315 D CB 0.370 41.201 40.800 0.053 0.000 0.906 1315 D HN 0.174 nan 8.370 nan 0.000 0.530 1316 V N -0.445 119.460 119.914 -0.014 0.000 4.508 1316 V HA 0.020 4.140 4.120 0.001 0.000 0.169 1316 V C 1.982 177.849 176.094 -0.377 0.000 1.084 1316 V CA -0.212 61.959 62.300 -0.216 0.000 1.371 1316 V CB -0.195 31.465 31.823 -0.271 0.000 1.878 1316 V HN -0.172 nan 8.190 nan 0.000 0.506 1317 K N -0.027 120.130 120.400 -0.405 0.000 2.013 1317 K HA -0.315 4.006 4.320 0.001 0.000 0.225 1317 K C 2.108 178.531 176.600 -0.294 0.000 1.056 1317 K CA 2.910 58.976 56.287 -0.370 0.000 0.971 1317 K CB -0.674 31.663 32.500 -0.271 0.000 0.731 1317 K HN 0.600 nan 8.250 nan 0.000 0.450 1318 C N 0.327 119.436 119.300 -0.318 0.000 2.422 1318 C HA -0.042 4.419 4.460 0.001 0.000 0.279 1318 C C 2.755 177.699 174.990 -0.076 0.000 1.305 1318 C CA 0.743 59.639 59.018 -0.203 0.000 1.757 1318 C CB -1.058 26.491 27.740 -0.319 0.000 1.962 1318 C HN 0.559 nan 8.230 nan 0.000 0.499 1319 R N -0.259 120.261 120.500 0.034 0.000 2.070 1319 R HA -0.138 4.203 4.340 0.001 0.000 0.233 1319 R C 2.159 178.527 176.300 0.113 0.000 1.137 1319 R CA 1.837 58.010 56.100 0.121 0.000 0.945 1319 R CB -0.572 29.814 30.300 0.145 0.000 0.845 1319 R HN 0.653 nan 8.270 nan 0.000 0.430 1320 Y N -0.709 119.502 120.300 -0.148 0.000 2.224 1320 Y HA -0.172 4.378 4.550 0.001 0.000 0.289 1320 Y C 2.085 177.823 175.900 -0.270 0.000 1.146 1320 Y CA 0.458 58.448 58.100 -0.182 0.000 1.182 1320 Y CB 0.090 38.434 38.460 -0.194 0.000 0.983 1320 Y HN 0.286 nan 8.280 nan 0.000 0.524 1321 A N -0.435 122.221 122.820 -0.273 0.000 2.345 1321 A HA 0.381 4.702 4.320 0.001 0.000 0.225 1321 A C 1.706 178.942 177.584 -0.580 0.000 1.243 1321 A CA 0.568 52.235 52.037 -0.617 0.000 0.875 1321 A CB -0.747 17.452 19.000 -1.334 0.000 0.929 1321 A HN 0.505 nan 8.150 nan 0.000 0.502 1322 G N -0.661 107.970 108.800 -0.281 0.000 2.258 1322 G HA2 -0.306 3.655 3.960 0.001 0.000 0.274 1322 G HA3 -0.306 3.655 3.960 0.001 0.000 0.274 1322 G C 0.114 174.970 174.900 -0.073 0.000 1.021 1322 G CA 0.385 45.409 45.100 -0.128 0.000 0.798 1322 G HN 0.462 nan 8.290 nan 0.000 0.507 1323 F N -0.325 119.534 119.950 -0.151 0.000 2.444 1323 F HA 0.483 5.011 4.527 0.001 0.000 0.331 1323 F C 1.303 176.869 175.800 -0.391 0.000 1.167 1323 F CA -0.186 57.678 58.000 -0.227 0.000 1.262 1323 F CB 0.846 39.672 39.000 -0.289 0.000 1.196 1323 F HN -0.112 nan 8.300 nan 0.000 0.583 1324 K N 2.712 123.036 120.400 -0.127 0.000 2.803 1324 K HA 0.266 4.586 4.320 0.001 0.000 0.229 1324 K C -2.648 173.851 176.600 -0.168 0.000 1.084 1324 K CA -1.714 54.393 56.287 -0.300 0.000 1.063 1324 K CB 1.432 33.912 32.500 -0.033 0.000 1.254 1324 K HN 0.143 nan 8.250 nan 0.000 0.551 1325 P HA -0.120 nan 4.420 nan 0.000 0.266 1325 P C -0.208 177.143 177.300 0.084 0.000 1.180 1325 P CA 0.388 63.515 63.100 0.046 0.000 0.765 1325 P CB 0.637 32.485 31.700 0.247 0.000 0.806 1326 D N 0.441 120.894 120.400 0.089 0.000 2.423 1326 D HA 0.299 4.940 4.640 0.001 0.000 0.208 1326 D C 0.483 176.844 176.300 0.101 0.000 1.068 1326 D CA 0.545 54.598 54.000 0.089 0.000 0.860 1326 D CB 0.713 41.563 40.800 0.082 0.000 0.992 1326 D HN 0.432 nan 8.370 nan 0.000 0.504 1327 A N -0.417 122.469 122.820 0.111 0.000 2.544 1327 A HA 0.562 4.882 4.320 0.001 0.000 0.291 1327 A C -1.329 176.318 177.584 0.105 0.000 1.055 1327 A CA -0.494 51.605 52.037 0.104 0.000 0.651 1327 A CB 1.477 20.523 19.000 0.078 0.000 1.296 1327 A HN -0.122 nan 8.150 nan 0.000 0.431 1328 T N 0.742 115.356 114.554 0.100 0.000 3.011 1328 T HA 0.525 4.875 4.350 0.001 0.000 0.303 1328 T C -0.969 173.763 174.700 0.053 0.000 0.997 1328 T CA -0.309 61.838 62.100 0.079 0.000 1.007 1328 T CB 1.369 70.324 68.868 0.145 0.000 1.017 1328 T HN 0.815 nan 8.240 nan 0.000 0.443 1329 V N 4.593 124.516 119.914 0.014 0.000 2.567 1329 V HA 0.558 4.679 4.120 0.001 0.000 0.289 1329 V C 0.014 176.107 176.094 -0.001 0.000 1.049 1329 V CA -0.651 61.655 62.300 0.009 0.000 0.969 1329 V CB 1.504 33.322 31.823 -0.008 0.000 0.995 1329 V HN 0.783 nan 8.190 nan 0.000 0.471 1330 I N 4.741 125.317 120.570 0.011 0.000 2.466 1330 I HA 0.520 4.691 4.170 0.001 0.000 0.289 1330 I C -0.699 175.412 176.117 -0.010 0.000 1.026 1330 I CA -0.521 60.775 61.300 -0.007 0.000 1.078 1330 I CB 1.880 39.890 38.000 0.017 0.000 1.249 1330 I HN 0.338 nan 8.210 nan 0.000 0.429 1331 V N 6.987 126.879 119.914 -0.037 0.000 2.644 1331 V HA 0.856 4.976 4.120 0.001 0.000 0.295 1331 V C 0.222 176.295 176.094 -0.034 0.000 1.053 1331 V CA -0.155 62.130 62.300 -0.025 0.000 0.987 1331 V CB 1.262 33.064 31.823 -0.035 0.000 1.006 1331 V HN 0.861 nan 8.190 nan 0.000 0.472 1332 A N 2.878 125.695 122.820 -0.005 0.000 2.594 1332 A HA 0.816 5.137 4.320 0.001 0.000 0.296 1332 A C -0.391 177.200 177.584 0.011 0.000 1.061 1332 A CA -0.267 51.767 52.037 -0.004 0.000 0.689 1332 A CB 1.967 20.973 19.000 0.011 0.000 1.280 1332 A HN 0.892 nan 8.150 nan 0.000 0.406 1333 T N -1.198 113.347 114.554 -0.014 0.000 2.942 1333 T HA 0.591 4.941 4.350 0.001 0.000 0.289 1333 T C 0.855 175.533 174.700 -0.037 0.000 1.044 1333 T CA -0.099 61.979 62.100 -0.036 0.000 1.023 1333 T CB 1.172 69.971 68.868 -0.115 0.000 1.123 1333 T HN 0.730 nan 8.240 nan 0.000 0.512 1334 V N 1.087 120.970 119.914 -0.052 0.000 2.323 1334 V HA -0.073 4.047 4.120 0.001 0.000 0.244 1334 V C 2.928 178.971 176.094 -0.086 0.000 1.041 1334 V CA 1.350 63.623 62.300 -0.044 0.000 1.025 1334 V CB -0.858 30.945 31.823 -0.034 0.000 0.656 1334 V HN 0.795 nan 8.190 nan 0.000 0.451 1335 R N 0.773 121.167 120.500 -0.177 0.000 2.082 1335 R HA -0.116 4.224 4.340 0.001 0.000 0.234 1335 R C 2.313 178.513 176.300 -0.167 0.000 1.136 1335 R CA 1.625 57.601 56.100 -0.206 0.000 0.935 1335 R CB -0.787 29.300 30.300 -0.356 0.000 0.842 1335 R HN 0.484 nan 8.270 nan 0.000 0.430 1336 A N 0.631 123.346 122.820 -0.175 0.000 2.259 1336 A HA -0.091 4.230 4.320 0.001 0.000 0.212 1336 A C 1.775 179.309 177.584 -0.083 0.000 1.178 1336 A CA 0.901 52.842 52.037 -0.161 0.000 0.734 1336 A CB -0.141 18.777 19.000 -0.137 0.000 0.774 1336 A HN 0.136 nan 8.150 nan 0.000 0.481 1337 L N -1.482 119.730 121.223 -0.019 0.000 2.408 1337 L HA 0.209 4.550 4.340 0.001 0.000 0.215 1337 L C 1.929 178.837 176.870 0.063 0.000 1.081 1337 L CA 1.394 56.282 54.840 0.081 0.000 0.840 1337 L CB -0.173 41.935 42.059 0.082 0.000 1.002 1337 L HN 0.228 nan 8.230 nan 0.000 0.468 1338 K N -1.334 119.062 120.400 -0.006 0.000 2.418 1338 K HA 0.029 4.349 4.320 0.001 0.000 0.195 1338 K C 1.917 178.494 176.600 -0.039 0.000 1.035 1338 K CA 0.565 56.845 56.287 -0.011 0.000 1.003 1338 K CB 0.136 32.616 32.500 -0.034 0.000 0.793 1338 K HN 0.271 nan 8.250 nan 0.000 0.494 1339 M N -0.123 119.418 119.600 -0.098 0.000 2.160 1339 M HA -0.114 4.367 4.480 0.001 0.000 0.264 1339 M C 1.692 177.919 176.300 -0.123 0.000 1.073 1339 M CA 1.363 56.568 55.300 -0.159 0.000 1.142 1339 M CB -0.153 32.279 32.600 -0.279 0.000 1.358 1339 M HN 0.223 nan 8.290 nan 0.000 0.422 1340 H N -0.755 118.298 119.070 -0.029 0.000 2.489 1340 H HA -0.031 4.526 4.556 0.001 0.000 0.293 1340 H C 2.003 177.336 175.328 0.007 0.000 1.066 1340 H CA 1.481 57.523 56.048 -0.010 0.000 1.305 1340 H CB -0.619 29.145 29.762 0.003 0.000 1.386 1340 H HN 0.440 nan 8.280 nan 0.000 0.551 1341 G N -0.960 107.906 108.800 0.111 0.000 2.650 1341 G HA2 0.132 4.093 3.960 0.001 0.000 0.214 1341 G HA3 0.132 4.093 3.960 0.001 0.000 0.214 1341 G C 1.353 176.276 174.900 0.039 0.000 1.136 1341 G CA 0.838 45.983 45.100 0.076 0.000 0.789 1341 G HN 0.622 nan 8.290 nan 0.000 0.536 1342 G N -1.277 107.532 108.800 0.015 0.000 2.481 1342 G HA2 -0.217 3.743 3.960 0.001 0.000 0.200 1342 G HA3 -0.217 3.743 3.960 0.001 0.000 0.200 1342 G C 0.403 175.285 174.900 -0.029 0.000 1.012 1342 G CA -0.039 45.057 45.100 -0.006 0.000 0.676 1342 G HN 0.593 nan 8.290 nan 0.000 0.488 1343 V N 3.448 123.343 119.914 -0.033 0.000 2.928 1343 V HA 0.272 4.393 4.120 0.001 0.000 0.307 1343 V C -1.004 175.051 176.094 -0.065 0.000 1.105 1343 V CA 0.196 62.469 62.300 -0.045 0.000 1.223 1343 V CB 0.856 32.651 31.823 -0.047 0.000 0.930 1343 V HN 0.278 nan 8.190 nan 0.000 0.499 1344 P HA 0.170 nan 4.420 nan 0.000 0.275 1344 P C 0.545 177.793 177.300 -0.086 0.000 1.266 1344 P CA -0.552 62.505 63.100 -0.072 0.000 0.793 1344 P CB 0.540 32.206 31.700 -0.057 0.000 1.074 1345 K N 0.226 120.570 120.400 -0.094 0.000 2.296 1345 K HA -0.041 4.280 4.320 0.001 0.000 0.200 1345 K C 1.433 177.983 176.600 -0.083 0.000 1.048 1345 K CA 1.174 57.399 56.287 -0.103 0.000 0.966 1345 K CB -0.136 32.298 32.500 -0.111 0.000 0.754 1345 K HN 0.283 nan 8.250 nan 0.000 0.466 1346 S N 1.577 117.237 115.700 -0.067 0.000 2.355 1346 S HA -0.084 4.387 4.470 0.001 0.000 0.222 1346 S C 0.652 175.224 174.600 -0.046 0.000 1.031 1346 S CA 1.323 59.492 58.200 -0.052 0.000 0.993 1346 S CB -0.065 63.108 63.200 -0.044 0.000 0.859 1346 S HN 0.387 nan 8.310 nan 0.000 0.453 1347 D N 0.887 121.259 120.400 -0.047 0.000 2.427 1347 D HA 0.276 4.917 4.640 0.001 0.000 0.224 1347 D C 1.120 177.392 176.300 -0.047 0.000 1.157 1347 D CA -0.058 53.919 54.000 -0.040 0.000 0.828 1347 D CB -0.133 40.647 40.800 -0.033 0.000 0.974 1347 D HN 0.269 nan 8.370 nan 0.000 0.498 1348 L N 0.615 121.799 121.223 -0.065 0.000 2.187 1348 L HA -0.125 4.216 4.340 0.001 0.000 0.213 1348 L C 2.189 179.016 176.870 -0.073 0.000 1.100 1348 L CA 0.922 55.712 54.840 -0.083 0.000 0.765 1348 L CB -0.224 41.762 42.059 -0.123 0.000 0.904 1348 L HN 0.067 nan 8.230 nan 0.000 0.437 1349 A N -1.055 121.735 122.820 -0.049 0.000 2.206 1349 A HA 0.005 4.326 4.320 0.001 0.000 0.211 1349 A C 0.999 178.577 177.584 -0.010 0.000 1.158 1349 A CA 0.468 52.493 52.037 -0.019 0.000 0.761 1349 A CB -0.447 18.557 19.000 0.007 0.000 0.801 1349 A HN 0.290 nan 8.150 nan 0.000 0.473 1350 T N 1.253 115.796 114.554 -0.019 0.000 2.743 1350 T HA 0.309 4.660 4.350 0.001 0.000 0.293 1350 T C 0.008 174.699 174.700 -0.015 0.000 0.945 1350 T CA -0.455 61.637 62.100 -0.013 0.000 1.030 1350 T CB 1.138 69.997 68.868 -0.015 0.000 0.912 1350 T HN 0.534 nan 8.240 nan 0.000 0.483 1351 E N 2.653 122.847 120.200 -0.010 0.000 2.508 1351 E HA -0.098 4.252 4.350 0.001 0.000 0.266 1351 E C 0.065 176.657 176.600 -0.013 0.000 1.010 1351 E CA 0.226 56.620 56.400 -0.012 0.000 0.955 1351 E CB 0.273 29.968 29.700 -0.008 0.000 0.946 1351 E HN 0.589 nan 8.360 nan 0.000 0.454 1352 N N 3.799 122.491 118.700 -0.014 0.000 3.286 1352 N HA -0.003 4.737 4.740 0.001 0.000 0.169 1352 N C -0.381 175.124 175.510 -0.009 0.000 1.375 1352 N CA -0.108 52.935 53.050 -0.011 0.000 1.093 1352 N CB -0.363 38.117 38.487 -0.012 0.000 1.659 1352 N HN 0.419 nan 8.380 nan 0.000 0.629 1353 L N 0.369 121.585 121.223 -0.012 0.000 2.270 1353 L HA -0.170 4.170 4.340 0.001 0.000 0.217 1353 L C 2.126 178.994 176.870 -0.004 0.000 1.107 1353 L CA 1.466 56.298 54.840 -0.014 0.000 0.772 1353 L CB -0.257 41.789 42.059 -0.022 0.000 0.902 1353 L HN 0.373 nan 8.230 nan 0.000 0.439 1354 E N 0.546 120.746 120.200 -0.000 0.000 2.001 1354 E HA -0.151 4.199 4.350 0.001 0.000 0.193 1354 E C 2.466 179.080 176.600 0.022 0.000 0.994 1354 E CA 1.436 57.841 56.400 0.008 0.000 0.815 1354 E CB -1.018 28.685 29.700 0.006 0.000 0.770 1354 E HN 0.393 nan 8.360 nan 0.000 0.453 1355 A N 2.312 125.143 122.820 0.018 0.000 1.927 1355 A HA -0.205 4.115 4.320 0.001 0.000 0.220 1355 A C 2.354 179.965 177.584 0.046 0.000 1.185 1355 A CA 1.699 53.752 52.037 0.027 0.000 0.639 1355 A CB -0.997 18.008 19.000 0.009 0.000 0.820 1355 A HN 0.277 nan 8.150 nan 0.000 0.451 1356 L N -0.790 120.454 121.223 0.035 0.000 1.990 1356 L HA -0.244 4.096 4.340 0.001 0.000 0.213 1356 L C 2.807 179.739 176.870 0.103 0.000 1.072 1356 L CA 2.389 57.261 54.840 0.054 0.000 0.755 1356 L CB -0.368 41.704 42.059 0.022 0.000 0.889 1356 L HN 0.584 nan 8.230 nan 0.000 0.432 1357 R N -0.669 119.873 120.500 0.069 0.000 2.189 1357 R HA -0.152 4.189 4.340 0.001 0.000 0.223 1357 R C 1.878 178.258 176.300 0.134 0.000 1.092 1357 R CA 1.093 57.238 56.100 0.076 0.000 0.989 1357 R CB 0.063 30.368 30.300 0.007 0.000 0.876 1357 R HN 0.389 nan 8.270 nan 0.000 0.457 1358 E N -0.619 119.649 120.200 0.113 0.000 2.250 1358 E HA 0.008 4.359 4.350 0.001 0.000 0.192 1358 E C 1.704 178.392 176.600 0.147 0.000 0.986 1358 E CA 1.009 57.478 56.400 0.116 0.000 0.849 1358 E CB 0.167 29.913 29.700 0.078 0.000 0.797 1358 E HN 0.549 nan 8.360 nan 0.000 0.482 1359 G N 0.123 109.018 108.800 0.159 0.000 2.511 1359 G HA2 -0.211 3.750 3.960 0.001 0.000 0.217 1359 G HA3 -0.211 3.750 3.960 0.001 0.000 0.217 1359 G C 1.381 176.378 174.900 0.161 0.000 1.133 1359 G CA -0.078 45.130 45.100 0.179 0.000 0.792 1359 G HN 0.207 nan 8.290 nan 0.000 0.539 1360 F N 2.612 122.604 119.950 0.071 0.000 2.154 1360 F HA -0.098 4.429 4.527 0.001 0.000 0.301 1360 F C 2.696 178.543 175.800 0.079 0.000 1.087 1360 F CA 1.180 59.222 58.000 0.070 0.000 1.274 1360 F CB -0.106 38.926 39.000 0.054 0.000 1.009 1360 F HN 0.225 nan 8.300 nan 0.000 0.485 1361 A N 0.052 122.968 122.820 0.160 0.000 1.997 1361 A HA -0.331 3.989 4.320 0.001 0.000 0.221 1361 A C 1.994 179.573 177.584 -0.008 0.000 1.172 1361 A CA 2.174 54.265 52.037 0.089 0.000 0.645 1361 A CB -1.216 17.848 19.000 0.107 0.000 0.813 1361 A HN 0.579 nan 8.150 nan 0.000 0.454 1362 N N -0.590 118.088 118.700 -0.036 0.000 2.058 1362 N HA -0.134 4.606 4.740 0.001 0.000 0.191 1362 N C 1.585 177.152 175.510 0.095 0.000 1.037 1362 N CA 1.570 54.619 53.050 -0.001 0.000 0.848 1362 N CB -0.302 38.001 38.487 -0.306 0.000 1.021 1362 N HN 0.322 nan 8.380 nan 0.000 0.422 1363 L N 1.574 122.702 121.223 -0.159 0.000 2.017 1363 L HA -0.089 4.252 4.340 0.001 0.000 0.208 1363 L C 2.079 178.774 176.870 -0.291 0.000 1.073 1363 L CA 1.840 56.526 54.840 -0.256 0.000 0.745 1363 L CB -1.234 40.479 42.059 -0.576 0.000 0.894 1363 L HN 0.346 nan 8.230 nan 0.000 0.432 1364 E N -0.576 119.298 120.200 -0.543 0.000 2.097 1364 E HA -0.339 4.011 4.350 0.001 0.000 0.196 1364 E C 2.194 178.780 176.600 -0.023 0.000 1.000 1364 E CA 1.671 57.958 56.400 -0.189 0.000 0.804 1364 E CB -0.087 29.646 29.700 0.055 0.000 0.740 1364 E HN 0.380 nan 8.360 nan 0.000 0.454 1365 K N 0.129 120.502 120.400 -0.045 0.000 2.026 1365 K HA -0.177 4.144 4.320 0.001 0.000 0.208 1365 K C 2.072 178.637 176.600 -0.057 0.000 1.048 1365 K CA 1.880 58.098 56.287 -0.115 0.000 0.929 1365 K CB -0.340 31.971 32.500 -0.315 0.000 0.713 1365 K HN 0.318 nan 8.250 nan 0.000 0.439 1366 H N 0.213 119.376 119.070 0.156 0.000 2.387 1366 H HA -0.098 4.459 4.556 0.001 0.000 0.299 1366 H C 1.963 177.378 175.328 0.145 0.000 1.090 1366 H CA 1.639 57.808 56.048 0.202 0.000 1.332 1366 H CB -0.041 29.820 29.762 0.166 0.000 1.386 1366 H HN 0.152 nan 8.280 nan 0.000 0.516 1367 I N 1.333 122.022 120.570 0.198 0.000 2.099 1367 I HA -0.239 3.932 4.170 0.001 0.000 0.239 1367 I C 2.278 178.486 176.117 0.152 0.000 1.066 1367 I CA 1.203 62.597 61.300 0.157 0.000 1.324 1367 I CB -1.146 36.927 38.000 0.121 0.000 1.037 1367 I HN 0.287 nan 8.210 nan 0.000 0.401 1368 E N 0.815 121.081 120.200 0.111 0.000 2.038 1368 E HA -0.243 4.108 4.350 0.001 0.000 0.195 1368 E C 1.988 178.654 176.600 0.110 0.000 1.000 1368 E CA 1.414 57.865 56.400 0.085 0.000 0.803 1368 E CB -0.223 29.499 29.700 0.037 0.000 0.750 1368 E HN 0.474 nan 8.360 nan 0.000 0.448 1369 N N 1.108 119.885 118.700 0.128 0.000 2.036 1369 N HA -0.186 4.555 4.740 0.001 0.000 0.195 1369 N C 1.897 177.640 175.510 0.388 0.000 1.037 1369 N CA 1.140 54.320 53.050 0.217 0.000 0.855 1369 N CB -0.470 38.181 38.487 0.272 0.000 1.033 1369 N HN 0.175 nan 8.380 nan 0.000 0.423 1370 I N 0.399 121.207 120.570 0.396 0.000 2.623 1370 I HA -0.188 3.982 4.170 0.001 0.000 0.261 1370 I C 2.062 178.387 176.117 0.348 0.000 1.204 1370 I CA 1.044 62.604 61.300 0.434 0.000 1.444 1370 I CB -0.442 37.745 38.000 0.311 0.000 1.094 1370 I HN 0.183 nan 8.210 nan 0.000 0.451 1371 G N 0.294 109.237 108.800 0.238 0.000 2.539 1371 G HA2 -0.108 3.852 3.960 0.001 0.000 0.215 1371 G HA3 -0.108 3.852 3.960 0.001 0.000 0.215 1371 G C 1.594 176.550 174.900 0.093 0.000 1.141 1371 G CA -0.070 45.120 45.100 0.150 0.000 0.806 1371 G HN 0.291 nan 8.290 nan 0.000 0.533 1372 K N -0.359 120.055 120.400 0.024 0.000 2.515 1372 K HA 0.103 4.424 4.320 0.001 0.000 0.196 1372 K C 0.902 177.286 176.600 -0.361 0.000 1.038 1372 K CA 0.359 56.528 56.287 -0.195 0.000 0.967 1372 K CB -0.105 32.205 32.500 -0.316 0.000 0.780 1372 K HN 0.398 nan 8.250 nan 0.000 0.483 1373 F N -0.417 119.524 119.950 -0.015 0.000 2.695 1373 F HA 0.212 4.739 4.527 0.001 0.000 0.303 1373 F C 1.257 176.951 175.800 -0.177 0.000 1.091 1373 F CA -0.026 57.876 58.000 -0.163 0.000 1.300 1373 F CB 0.947 39.651 39.000 -0.493 0.000 1.071 1373 F HN 0.054 nan 8.300 nan 0.000 0.578 1374 G N 1.613 110.490 108.800 0.128 0.000 2.198 1374 G HA2 -0.162 3.799 3.960 0.001 0.000 0.257 1374 G HA3 -0.162 3.799 3.960 0.001 0.000 0.257 1374 G C -0.217 174.695 174.900 0.019 0.000 1.042 1374 G CA 0.242 45.356 45.100 0.023 0.000 0.791 1374 G HN 0.583 nan 8.290 nan 0.000 0.502 1375 V N -2.610 117.360 119.914 0.094 0.000 2.656 1375 V HA 0.909 5.029 4.120 0.001 0.000 0.307 1375 V C -2.121 174.047 176.094 0.123 0.000 1.051 1375 V CA -2.462 59.909 62.300 0.119 0.000 0.893 1375 V CB 2.357 34.280 31.823 0.167 0.000 0.999 1375 V HN 0.179 nan 8.190 nan 0.000 0.426 1376 P HA 0.355 nan 4.420 nan 0.000 0.271 1376 P C -0.135 177.227 177.300 0.103 0.000 1.233 1376 P CA 0.419 63.577 63.100 0.096 0.000 0.764 1376 P CB 1.230 32.977 31.700 0.079 0.000 0.825 1377 A N 3.934 126.819 122.820 0.108 0.000 2.293 1377 A HA 0.613 4.933 4.320 0.001 0.000 0.302 1377 A C -0.387 177.249 177.584 0.087 0.000 1.119 1377 A CA -0.515 51.587 52.037 0.108 0.000 0.823 1377 A CB 0.870 19.947 19.000 0.127 0.000 1.097 1377 A HN 0.405 nan 8.150 nan 0.000 0.491 1378 V N 2.125 122.084 119.914 0.074 0.000 2.686 1378 V HA 0.364 4.484 4.120 0.001 0.000 0.306 1378 V C -0.214 175.915 176.094 0.059 0.000 1.065 1378 V CA -0.541 61.795 62.300 0.061 0.000 0.894 1378 V CB 1.742 33.589 31.823 0.040 0.000 1.004 1378 V HN 0.754 nan 8.190 nan 0.000 0.424 1379 V N 2.732 122.689 119.914 0.071 0.000 2.863 1379 V HA 0.793 4.914 4.120 0.001 0.000 0.307 1379 V C 0.586 176.719 176.094 0.065 0.000 1.061 1379 V CA -0.031 62.313 62.300 0.075 0.000 1.024 1379 V CB 1.798 33.690 31.823 0.114 0.000 1.049 1379 V HN 1.067 nan 8.190 nan 0.000 0.471 1380 A N 3.664 126.521 122.820 0.063 0.000 3.266 1380 A HA 0.494 4.814 4.320 0.001 0.000 0.310 1380 A C -0.344 177.289 177.584 0.081 0.000 1.066 1380 A CA -0.568 51.506 52.037 0.061 0.000 0.839 1380 A CB -0.064 18.958 19.000 0.036 0.000 1.192 1380 A HN 0.593 nan 8.150 nan 0.000 0.496 1381 I N 1.244 121.889 120.570 0.125 0.000 2.948 1381 I HA -0.078 4.092 4.170 0.001 0.000 0.284 1381 I C 0.636 176.825 176.117 0.120 0.000 1.181 1381 I CA 0.324 61.706 61.300 0.136 0.000 1.372 1381 I CB -1.273 36.855 38.000 0.214 0.000 1.443 1381 I HN 0.562 nan 8.210 nan 0.000 0.554 1382 N N 5.365 124.120 118.700 0.091 0.000 2.452 1382 N HA 0.154 4.895 4.740 0.001 0.000 0.266 1382 N C 0.134 175.728 175.510 0.140 0.000 1.209 1382 N CA -0.083 53.028 53.050 0.101 0.000 0.929 1382 N CB 1.166 39.694 38.487 0.069 0.000 1.063 1382 N HN 0.763 nan 8.380 nan 0.000 0.472 1383 A N 3.484 126.397 122.820 0.155 0.000 2.475 1383 A HA 0.335 4.655 4.320 0.001 0.000 0.239 1383 A C -0.481 177.249 177.584 0.243 0.000 1.087 1383 A CA 0.432 52.572 52.037 0.172 0.000 0.779 1383 A CB 0.070 19.153 19.000 0.138 0.000 1.036 1383 A HN 0.706 nan 8.150 nan 0.000 0.506 1384 F N 0.217 120.178 119.950 0.018 0.000 2.669 1384 F HA 0.416 4.944 4.527 0.001 0.000 0.315 1384 F C -2.125 173.677 175.800 0.004 0.000 1.109 1384 F CA -0.961 57.032 58.000 -0.012 0.000 1.028 1384 F CB 1.694 40.669 39.000 -0.043 0.000 1.287 1384 F HN 0.438 nan 8.300 nan 0.000 0.452 1385 P HA -0.213 nan 4.420 nan 0.000 0.216 1385 P C 1.447 178.791 177.300 0.075 0.000 1.167 1385 P CA 3.024 66.075 63.100 -0.081 0.000 0.914 1385 P CB -0.064 31.518 31.700 -0.197 0.000 0.793 1386 T N -4.644 110.030 114.554 0.201 0.000 3.055 1386 T HA -0.022 4.329 4.350 0.001 0.000 0.265 1386 T C 0.498 175.272 174.700 0.123 0.000 1.111 1386 T CA 0.219 62.412 62.100 0.156 0.000 1.118 1386 T CB -0.838 68.129 68.868 0.164 0.000 0.909 1386 T HN -0.021 nan 8.240 nan 0.000 0.501 1387 D N 3.354 123.851 120.400 0.162 0.000 2.443 1387 D HA 0.249 4.889 4.640 0.001 0.000 0.239 1387 D C 0.952 177.286 176.300 0.056 0.000 1.136 1387 D CA 0.401 54.454 54.000 0.088 0.000 0.879 1387 D CB 1.219 42.082 40.800 0.106 0.000 1.195 1387 D HN 0.558 nan 8.370 nan 0.000 0.443 1388 T N -1.191 113.376 114.554 0.022 0.000 2.876 1388 T HA 0.295 4.646 4.350 0.001 0.000 0.277 1388 T C 1.005 175.702 174.700 -0.006 0.000 0.997 1388 T CA -0.674 61.434 62.100 0.012 0.000 0.966 1388 T CB 1.338 70.208 68.868 0.004 0.000 1.312 1388 T HN 0.130 nan 8.240 nan 0.000 0.598 1389 E N 0.338 120.535 120.200 -0.005 0.000 2.086 1389 E HA 0.103 4.453 4.350 0.001 0.000 0.190 1389 E C 2.336 178.909 176.600 -0.045 0.000 0.975 1389 E CA 1.086 57.477 56.400 -0.015 0.000 0.813 1389 E CB -0.915 28.791 29.700 0.011 0.000 0.768 1389 E HN 0.788 nan 8.360 nan 0.000 0.457 1390 A N 1.305 124.107 122.820 -0.030 0.000 2.272 1390 A HA -0.193 4.127 4.320 0.001 0.000 0.213 1390 A C 1.675 179.225 177.584 -0.056 0.000 1.183 1390 A CA 1.275 53.291 52.037 -0.035 0.000 0.719 1390 A CB -0.276 18.711 19.000 -0.021 0.000 0.771 1390 A HN 0.209 nan 8.150 nan 0.000 0.484 1391 E N -0.957 119.199 120.200 -0.073 0.000 2.357 1391 E HA 0.175 4.526 4.350 0.001 0.000 0.190 1391 E C 1.697 178.188 176.600 -0.181 0.000 1.022 1391 E CA -0.039 56.307 56.400 -0.091 0.000 1.068 1391 E CB -0.253 29.414 29.700 -0.056 0.000 1.465 1391 E HN 0.379 nan 8.360 nan 0.000 0.503 1392 L N 2.026 123.121 121.223 -0.213 0.000 2.011 1392 L HA -0.315 4.025 4.340 0.001 0.000 0.225 1392 L C 2.197 178.553 176.870 -0.856 0.000 1.084 1392 L CA 1.274 55.832 54.840 -0.470 0.000 0.791 1392 L CB -0.955 40.922 42.059 -0.303 0.000 0.898 1392 L HN 0.231 nan 8.230 nan 0.000 0.440 1393 N N 0.057 118.459 118.700 -0.497 0.000 2.091 1393 N HA -0.240 4.501 4.740 0.001 0.000 0.193 1393 N C 1.760 177.122 175.510 -0.247 0.000 1.021 1393 N CA 1.606 54.468 53.050 -0.312 0.000 0.862 1393 N CB -0.490 37.956 38.487 -0.068 0.000 1.018 1393 N HN 0.223 nan 8.380 nan 0.000 0.429 1394 L N 0.646 121.748 121.223 -0.202 0.000 2.141 1394 L HA 0.016 4.356 4.340 0.001 0.000 0.209 1394 L C 1.904 178.678 176.870 -0.160 0.000 1.094 1394 L CA 1.077 55.834 54.840 -0.140 0.000 0.763 1394 L CB -0.592 41.404 42.059 -0.105 0.000 0.908 1394 L HN 0.062 nan 8.230 nan 0.000 0.437 1395 L N -1.605 119.487 121.223 -0.217 0.000 2.275 1395 L HA -0.148 4.193 4.340 0.001 0.000 0.215 1395 L C 1.926 178.813 176.870 0.028 0.000 1.119 1395 L CA 1.624 56.407 54.840 -0.095 0.000 0.790 1395 L CB -0.601 41.405 42.059 -0.088 0.000 0.919 1395 L HN 0.377 nan 8.230 nan 0.000 0.443 1396 Y N -0.083 120.239 120.300 0.036 0.000 2.177 1396 Y HA -0.153 4.397 4.550 0.001 0.000 0.291 1396 Y C 2.431 178.335 175.900 0.007 0.000 1.117 1396 Y CA 0.681 58.805 58.100 0.039 0.000 1.114 1396 Y CB -0.320 38.158 38.460 0.031 0.000 1.017 1396 Y HN 0.283 nan 8.280 nan 0.000 0.505 1397 E N 0.123 120.403 120.200 0.134 0.000 2.333 1397 E HA -0.184 4.167 4.350 0.001 0.000 0.198 1397 E C 1.794 178.359 176.600 -0.059 0.000 1.007 1397 E CA 0.830 57.253 56.400 0.038 0.000 0.845 1397 E CB -0.242 29.464 29.700 0.011 0.000 0.766 1397 E HN 0.293 nan 8.360 nan 0.000 0.507 1398 L N 0.785 121.918 121.223 -0.150 0.000 2.395 1398 L HA 0.040 4.380 4.340 0.001 0.000 0.218 1398 L C 1.083 177.706 176.870 -0.411 0.000 1.130 1398 L CA 0.603 55.158 54.840 -0.474 0.000 0.826 1398 L CB -0.320 41.282 42.059 -0.760 0.000 0.941 1398 L HN 0.319 nan 8.230 nan 0.000 0.451 1399 C N 1.017 120.329 119.300 0.021 0.000 2.269 1399 C HA 0.376 4.837 4.460 0.001 0.000 0.378 1399 C C 1.450 176.538 174.990 0.162 0.000 1.319 1399 C CA -0.705 58.463 59.018 0.250 0.000 1.721 1399 C CB -2.091 25.823 27.740 0.288 0.000 1.998 1399 C HN 0.461 nan 8.230 nan 0.000 0.582 1400 A N 1.562 124.431 122.820 0.082 0.000 2.752 1400 A HA 0.263 4.583 4.320 0.001 0.000 0.292 1400 A C 1.156 178.803 177.584 0.105 0.000 1.597 1400 A CA 0.992 53.070 52.037 0.069 0.000 1.241 1400 A CB -0.337 18.679 19.000 0.028 0.000 1.061 1400 A HN 0.837 nan 8.150 nan 0.000 0.576 1401 K N 0.032 120.499 120.400 0.112 0.000 2.619 1401 K HA 0.232 4.553 4.320 0.001 0.000 0.218 1401 K C 0.194 176.856 176.600 0.104 0.000 2.664 1401 K CA 0.487 56.841 56.287 0.111 0.000 1.426 1401 K CB -0.578 32.008 32.500 0.142 0.000 2.917 1401 K HN 0.892 nan 8.250 nan 0.000 0.403 1402 A N 0.957 123.851 122.820 0.122 0.000 2.354 1402 A HA 0.723 5.044 4.320 0.001 0.000 0.321 1402 A C -0.143 177.498 177.584 0.095 0.000 1.125 1402 A CA -0.188 51.911 52.037 0.104 0.000 0.799 1402 A CB 1.351 20.418 19.000 0.112 0.000 1.293 1402 A HN 0.361 nan 8.150 nan 0.000 0.452 1403 G N -0.044 108.797 108.800 0.070 0.000 2.313 1403 G HA2 0.570 4.530 3.960 0.001 0.000 0.250 1403 G HA3 0.570 4.530 3.960 0.001 0.000 0.250 1403 G C 0.131 175.063 174.900 0.054 0.000 1.281 1403 G CA 0.664 45.793 45.100 0.048 0.000 0.917 1403 G HN 1.427 nan 8.290 nan 0.000 0.501 1404 A N 2.884 125.729 122.820 0.041 0.000 2.340 1404 A HA 0.914 5.234 4.320 0.001 0.000 0.331 1404 A C -0.080 177.469 177.584 -0.057 0.000 1.140 1404 A CA -0.687 51.383 52.037 0.055 0.000 0.801 1404 A CB 1.265 20.361 19.000 0.160 0.000 1.234 1404 A HN 0.980 nan 8.150 nan 0.000 0.469 1405 E N 0.372 120.557 120.200 -0.025 0.000 2.400 1405 E HA 0.376 4.727 4.350 0.001 0.000 0.285 1405 E C -1.815 174.797 176.600 0.019 0.000 1.005 1405 E CA -0.774 55.573 56.400 -0.088 0.000 0.816 1405 E CB 1.285 30.941 29.700 -0.075 0.000 1.220 1405 E HN 0.722 nan 8.360 nan 0.000 0.426 1406 V N 1.676 121.608 119.914 0.030 0.000 2.530 1406 V HA 0.608 4.728 4.120 0.001 0.000 0.282 1406 V C -0.232 175.907 176.094 0.074 0.000 1.048 1406 V CA 0.355 62.721 62.300 0.111 0.000 0.997 1406 V CB 0.828 32.755 31.823 0.174 0.000 0.987 1406 V HN 0.804 nan 8.190 nan 0.000 0.477 1407 A N 7.284 130.157 122.820 0.089 0.000 2.690 1407 A HA 0.530 4.850 4.320 0.001 0.000 0.342 1407 A C 0.231 177.878 177.584 0.104 0.000 1.410 1407 A CA -0.467 51.617 52.037 0.079 0.000 0.958 1407 A CB -0.029 19.014 19.000 0.072 0.000 1.153 1407 A HN 0.932 nan 8.150 nan 0.000 0.497 1408 L N 1.882 123.159 121.223 0.090 0.000 2.873 1408 L HA 0.055 4.395 4.340 0.001 0.000 0.252 1408 L C 1.385 178.320 176.870 0.108 0.000 1.266 1408 L CA -0.070 54.834 54.840 0.107 0.000 1.111 1408 L CB -0.546 41.553 42.059 0.067 0.000 1.440 1408 L HN 0.694 nan 8.230 nan 0.000 0.427 1413 A N 1.273 124.193 122.820 0.166 0.000 1.845 1413 A HA -0.057 4.264 4.320 0.001 0.000 0.215 1413 A C 1.428 178.922 177.584 -0.150 0.000 1.195 1413 A CA 1.955 53.977 52.037 -0.025 0.000 0.616 1413 A CB -0.704 18.349 19.000 0.089 0.000 0.832 1413 A HN 0.253 nan 8.150 nan 0.000 0.443 1414 K N 0.207 120.543 120.400 -0.106 0.000 2.708 1414 K HA 0.366 4.687 4.320 0.001 0.000 0.219 1414 K C 0.961 177.464 176.600 -0.161 0.000 1.068 1414 K CA 0.218 56.392 56.287 -0.188 0.000 1.212 1414 K CB -0.394 32.043 32.500 -0.106 0.000 0.978 1414 K HN 0.606 nan 8.250 nan 0.000 0.475 1415 G N 1.319 110.055 108.800 -0.106 0.000 2.581 1415 G HA2 -0.400 3.561 3.960 0.001 0.000 0.289 1415 G HA3 -0.400 3.561 3.960 0.001 0.000 0.289 1415 G C 1.032 175.922 174.900 -0.017 0.000 1.303 1415 G CA -0.093 44.997 45.100 -0.017 0.000 0.931 1415 G HN 0.380 nan 8.290 nan 0.000 0.555 1416 G N -0.712 108.079 108.800 -0.014 0.000 2.517 1416 G HA2 -0.187 3.773 3.960 0.001 0.000 0.222 1416 G HA3 -0.187 3.773 3.960 0.001 0.000 0.222 1416 G C 1.456 176.341 174.900 -0.024 0.000 1.109 1416 G CA 1.747 46.838 45.100 -0.015 0.000 0.746 1416 G HN 0.996 nan 8.290 nan 0.000 0.576 1417 E N 0.044 120.220 120.200 -0.039 0.000 2.153 1417 E HA -0.035 4.315 4.350 0.001 0.000 0.194 1417 E C 2.584 179.168 176.600 -0.027 0.000 0.988 1417 E CA 0.885 57.260 56.400 -0.041 0.000 0.811 1417 E CB -0.423 29.241 29.700 -0.060 0.000 0.746 1417 E HN 0.357 nan 8.360 nan 0.000 0.466 1418 G N -0.468 108.321 108.800 -0.018 0.000 2.650 1418 G HA2 -0.085 3.875 3.960 0.001 0.000 0.214 1418 G HA3 -0.085 3.875 3.960 0.001 0.000 0.214 1418 G C 1.217 176.125 174.900 0.015 0.000 1.136 1418 G CA 0.437 45.541 45.100 0.005 0.000 0.789 1418 G HN 0.341 nan 8.290 nan 0.000 0.536 1419 G N 0.057 108.861 108.800 0.006 0.000 3.233 1419 G HA2 0.179 4.139 3.960 0.001 0.000 0.234 1419 G HA3 0.179 4.139 3.960 0.001 0.000 0.234 1419 G C 1.362 176.253 174.900 -0.015 0.000 1.137 1419 G CA -0.221 44.881 45.100 0.003 0.000 0.763 1419 G HN 0.206 nan 8.290 nan 0.000 0.549 1420 L N 0.831 122.042 121.223 -0.019 0.000 2.012 1420 L HA -0.075 4.265 4.340 0.001 0.000 0.210 1420 L C 2.526 179.377 176.870 -0.032 0.000 1.073 1420 L CA 1.919 56.742 54.840 -0.029 0.000 0.748 1420 L CB -0.779 41.263 42.059 -0.028 0.000 0.891 1420 L HN 0.415 nan 8.230 nan 0.000 0.431 1421 E N -0.402 119.782 120.200 -0.027 0.000 2.023 1421 E HA -0.284 4.066 4.350 0.001 0.000 0.196 1421 E C 2.207 178.787 176.600 -0.034 0.000 1.003 1421 E CA 1.411 57.791 56.400 -0.033 0.000 0.809 1421 E CB -0.148 29.531 29.700 -0.034 0.000 0.755 1421 E HN 0.224 nan 8.360 nan 0.000 0.449 1422 L N 0.956 122.164 121.223 -0.025 0.000 2.089 1422 L HA -0.226 4.115 4.340 0.001 0.000 0.213 1422 L C 2.158 179.006 176.870 -0.036 0.000 1.079 1422 L CA 2.382 57.209 54.840 -0.022 0.000 0.758 1422 L CB -0.847 41.207 42.059 -0.008 0.000 0.891 1422 L HN 0.218 nan 8.230 nan 0.000 0.433 1423 A N -0.589 122.203 122.820 -0.047 0.000 1.877 1423 A HA -0.219 4.102 4.320 0.001 0.000 0.216 1423 A C 2.438 179.975 177.584 -0.077 0.000 1.186 1423 A CA 1.803 53.795 52.037 -0.075 0.000 0.620 1423 A CB -0.544 18.409 19.000 -0.080 0.000 0.822 1423 A HN 0.500 nan 8.150 nan 0.000 0.443 1424 R N -0.366 120.100 120.500 -0.058 0.000 2.120 1424 R HA -0.065 4.276 4.340 0.001 0.000 0.234 1424 R C 1.967 178.244 176.300 -0.039 0.000 1.123 1424 R CA 1.535 57.606 56.100 -0.049 0.000 0.975 1424 R CB -0.166 30.111 30.300 -0.039 0.000 0.866 1424 R HN 0.468 nan 8.270 nan 0.000 0.446 1425 K N -0.104 120.276 120.400 -0.034 0.000 2.365 1425 K HA 0.016 4.336 4.320 0.001 0.000 0.197 1425 K C 1.842 178.434 176.600 -0.014 0.000 1.042 1425 K CA 0.477 56.751 56.287 -0.021 0.000 0.987 1425 K CB 0.358 32.846 32.500 -0.021 0.000 0.779 1425 K HN 0.010 nan 8.250 nan 0.000 0.484 1426 V N 1.727 121.625 119.914 -0.028 0.000 2.283 1426 V HA -0.202 3.918 4.120 0.001 0.000 0.243 1426 V C 2.115 178.196 176.094 -0.021 0.000 1.039 1426 V CA 1.449 63.736 62.300 -0.022 0.000 1.016 1426 V CB -0.308 31.488 31.823 -0.046 0.000 0.650 1426 V HN 0.233 nan 8.190 nan 0.000 0.449 1427 L N -0.176 121.013 121.223 -0.056 0.000 2.187 1427 L HA -0.264 4.077 4.340 0.001 0.000 0.213 1427 L C 2.554 179.426 176.870 0.004 0.000 1.100 1427 L CA 1.779 56.592 54.840 -0.044 0.000 0.765 1427 L CB -0.582 41.428 42.059 -0.082 0.000 0.904 1427 L HN 0.427 nan 8.230 nan 0.000 0.437 1428 Q N 0.013 119.812 119.800 -0.002 0.000 1.990 1428 Q HA -0.218 4.123 4.340 0.001 0.000 0.200 1428 Q C 2.281 178.295 176.000 0.023 0.000 0.980 1428 Q CA 2.430 58.239 55.803 0.010 0.000 0.832 1428 Q CB -0.058 28.682 28.738 0.002 0.000 0.897 1428 Q HN 0.558 nan 8.270 nan 0.000 0.427 1429 T N -1.180 113.389 114.554 0.026 0.000 2.995 1429 T HA -0.077 4.273 4.350 0.001 0.000 0.269 1429 T C 1.679 176.408 174.700 0.049 0.000 1.091 1429 T CA 0.595 62.718 62.100 0.038 0.000 1.128 1429 T CB -0.075 68.818 68.868 0.043 0.000 0.891 1429 T HN 0.218 nan 8.240 nan 0.000 0.492 1430 L N 0.958 122.212 121.223 0.051 0.000 2.291 1430 L HA 0.280 4.620 4.340 0.001 0.000 0.214 1430 L C 2.370 179.286 176.870 0.077 0.000 1.120 1430 L CA 1.528 56.413 54.840 0.075 0.000 0.799 1430 L CB -0.465 41.651 42.059 0.094 0.000 0.925 1430 L HN 0.383 nan 8.230 nan 0.000 0.446 1431 E N -1.872 118.365 120.200 0.061 0.000 2.201 1431 E HA -0.057 4.294 4.350 0.001 0.000 0.193 1431 E C 2.052 178.679 176.600 0.045 0.000 0.957 1431 E CA 0.843 57.276 56.400 0.055 0.000 0.858 1431 E CB 0.184 29.912 29.700 0.047 0.000 0.816 1431 E HN 0.481 nan 8.360 nan 0.000 0.475 1432 S N -0.736 114.988 115.700 0.041 0.000 2.497 1432 S HA 0.221 4.692 4.470 0.001 0.000 0.221 1432 S C 0.936 175.560 174.600 0.040 0.000 1.037 1432 S CA -0.393 57.829 58.200 0.036 0.000 0.920 1432 S CB 0.200 63.418 63.200 0.031 0.000 0.800 1432 S HN -0.003 nan 8.310 nan 0.000 0.505 1433 R N 2.883 123.410 120.500 0.045 0.000 2.505 1433 R HA 0.407 4.747 4.340 0.001 0.000 0.284 1433 R C -2.900 173.433 176.300 0.054 0.000 1.324 1433 R CA -1.889 54.240 56.100 0.049 0.000 1.432 1433 R CB 1.092 31.422 30.300 0.052 0.000 1.107 1433 R HN 0.378 nan 8.270 nan 0.000 0.587 1434 P HA 0.003 nan 4.420 nan 0.000 0.272 1434 P C -0.339 176.994 177.300 0.055 0.000 1.223 1434 P CA -0.171 62.961 63.100 0.053 0.000 0.784 1434 P CB 1.213 32.941 31.700 0.046 0.000 0.923 1435 S N 1.024 116.760 115.700 0.060 0.000 2.586 1435 S HA 0.284 4.754 4.470 0.001 0.000 0.274 1435 S C 0.126 174.753 174.600 0.044 0.000 1.281 1435 S CA -0.641 57.596 58.200 0.061 0.000 1.035 1435 S CB 0.307 63.559 63.200 0.086 0.000 0.962 1435 S HN 0.468 nan 8.310 nan 0.000 0.512 1436 N N 1.200 119.901 118.700 0.002 0.000 2.841 1436 N HA 0.289 5.029 4.740 0.001 0.000 0.257 1436 N C -1.529 173.781 175.510 -0.334 0.000 1.396 1436 N CA -0.717 52.293 53.050 -0.067 0.000 0.823 1436 N CB -0.010 38.468 38.487 -0.015 0.000 1.162 1436 N HN 0.643 nan 8.380 nan 0.000 0.503 1437 F N 3.289 123.046 119.950 -0.321 0.000 2.456 1437 F HA 0.349 4.877 4.527 0.001 0.000 0.358 1437 F C -0.490 175.083 175.800 -0.379 0.000 1.095 1437 F CA -0.017 57.754 58.000 -0.382 0.000 1.216 1437 F CB 0.365 39.294 39.000 -0.119 0.000 1.125 1437 F HN 0.464 nan 8.300 nan 0.000 0.549 1438 H N 3.974 122.534 119.070 -0.850 0.000 2.966 1438 H HA 0.448 5.005 4.556 0.001 0.000 0.347 1438 H C -0.717 174.144 175.328 -0.777 0.000 1.048 1438 H CA -1.403 54.263 56.048 -0.637 0.000 1.295 1438 H CB -0.130 29.461 29.762 -0.286 0.000 1.744 1438 H HN 0.578 nan 8.280 nan 0.000 0.513 1439 V N 1.190 120.857 119.914 -0.412 0.000 3.209 1439 V HA -0.060 4.061 4.120 0.001 0.000 0.305 1439 V C 1.152 177.152 176.094 -0.157 0.000 1.127 1439 V CA -0.246 61.927 62.300 -0.212 0.000 1.235 1439 V CB 0.518 32.255 31.823 -0.144 0.000 0.987 1439 V HN 0.855 nan 8.190 nan 0.000 0.499 1440 L N 3.338 124.527 121.223 -0.056 0.000 2.291 1440 L HA 0.235 4.576 4.340 0.001 0.000 0.214 1440 L C 0.475 177.355 176.870 0.016 0.000 1.120 1440 L CA 1.254 56.020 54.840 -0.123 0.000 0.799 1440 L CB -0.469 41.609 42.059 0.031 0.000 0.925 1440 L HN 0.964 nan 8.230 nan 0.000 0.446 1441 Y N -3.183 117.120 120.300 0.006 0.000 2.597 1441 Y HA 0.452 5.003 4.550 0.001 0.000 0.340 1441 Y C -0.557 175.354 175.900 0.020 0.000 1.097 1441 Y CA -2.036 56.065 58.100 0.000 0.000 1.037 1441 Y CB 0.098 38.571 38.460 0.022 0.000 1.305 1441 Y HN -0.159 nan 8.280 nan 0.000 0.463 1442 N N 1.496 120.336 118.700 0.233 0.000 2.508 1442 N HA 0.132 4.872 4.740 0.001 0.000 0.285 1442 N C 0.056 175.721 175.510 0.258 0.000 1.144 1442 N CA -0.300 52.842 53.050 0.153 0.000 0.978 1442 N CB 1.631 40.166 38.487 0.080 0.000 1.180 1442 N HN 0.887 nan 8.380 nan 0.000 0.484 1443 L N 2.047 123.381 121.223 0.185 0.000 2.217 1443 L HA 0.010 4.351 4.340 0.001 0.000 0.211 1443 L C 0.559 177.499 176.870 0.116 0.000 1.107 1443 L CA 1.336 56.288 54.840 0.187 0.000 0.783 1443 L CB -0.517 41.616 42.059 0.124 0.000 0.919 1443 L HN 0.563 nan 8.230 nan 0.000 0.442 1444 D N -0.389 120.060 120.400 0.081 0.000 3.038 1444 D HA 0.223 4.863 4.640 0.001 0.000 0.243 1444 D C 0.001 176.325 176.300 0.040 0.000 1.245 1444 D CA 0.253 54.282 54.000 0.049 0.000 0.871 1444 D CB -0.074 40.745 40.800 0.031 0.000 1.089 1444 D HN 0.117 nan 8.370 nan 0.000 0.464 1445 L N -0.795 120.456 121.223 0.045 0.000 2.256 1445 L HA 0.425 4.766 4.340 0.001 0.000 0.261 1445 L C 0.725 177.598 176.870 0.005 0.000 1.022 1445 L CA -1.022 53.829 54.840 0.019 0.000 0.828 1445 L CB 1.717 43.785 42.059 0.014 0.000 1.374 1445 L HN -0.083 nan 8.230 nan 0.000 0.436 1446 S N -0.373 115.320 115.700 -0.011 0.000 2.608 1446 S HA 0.275 4.746 4.470 0.001 0.000 0.261 1446 S C 1.091 175.677 174.600 -0.024 0.000 1.314 1446 S CA -0.281 57.910 58.200 -0.015 0.000 0.992 1446 S CB 0.522 63.705 63.200 -0.028 0.000 0.935 1446 S HN 0.469 nan 8.310 nan 0.000 0.564 1447 I N 1.611 122.174 120.570 -0.012 0.000 2.353 1447 I HA -0.059 4.112 4.170 0.001 0.000 0.248 1447 I C 2.247 178.361 176.117 -0.005 0.000 1.119 1447 I CA 1.005 62.304 61.300 -0.001 0.000 1.417 1447 I CB -0.251 37.778 38.000 0.047 0.000 1.078 1447 I HN 0.656 nan 8.210 nan 0.000 0.421 1448 K N 0.377 120.758 120.400 -0.033 0.000 2.365 1448 K HA -0.121 4.200 4.320 0.001 0.000 0.199 1448 K C 1.228 177.826 176.600 -0.003 0.000 1.045 1448 K CA 0.863 57.139 56.287 -0.019 0.000 0.962 1448 K CB 0.012 32.397 32.500 -0.191 0.000 0.759 1448 K HN 0.194 nan 8.250 nan 0.000 0.469 1449 D N 0.720 121.097 120.400 -0.037 0.000 2.162 1449 D HA -0.040 4.600 4.640 0.001 0.000 0.205 1449 D C 1.466 177.716 176.300 -0.083 0.000 0.964 1449 D CA 1.083 55.055 54.000 -0.046 0.000 0.847 1449 D CB 0.302 41.077 40.800 -0.041 0.000 0.988 1449 D HN 0.027 nan 8.370 nan 0.000 0.480 1450 K N 0.051 120.365 120.400 -0.143 0.000 2.103 1450 K HA 0.046 4.367 4.320 0.001 0.000 0.204 1450 K C 2.074 178.526 176.600 -0.246 0.000 1.052 1450 K CA 0.563 56.657 56.287 -0.321 0.000 0.945 1450 K CB 0.080 32.236 32.500 -0.574 0.000 0.722 1450 K HN 0.156 nan 8.250 nan 0.000 0.443 1451 I N 1.119 121.622 120.570 -0.112 0.000 2.454 1451 I HA -0.282 3.888 4.170 0.001 0.000 0.254 1451 I C 2.391 178.485 176.117 -0.038 0.000 1.156 1451 I CA 0.903 62.187 61.300 -0.028 0.000 1.433 1451 I CB -0.298 37.772 38.000 0.116 0.000 1.082 1451 I HN 0.180 nan 8.210 nan 0.000 0.432 1452 A N 0.797 123.598 122.820 -0.032 0.000 1.855 1452 A HA -0.144 4.176 4.320 0.001 0.000 0.213 1452 A C 2.301 179.827 177.584 -0.096 0.000 1.195 1452 A CA 1.080 53.090 52.037 -0.044 0.000 0.610 1452 A CB -0.393 18.595 19.000 -0.020 0.000 0.837 1452 A HN 0.200 nan 8.150 nan 0.000 0.444 1453 K N -0.254 120.092 120.400 -0.090 0.000 2.052 1453 K HA -0.225 4.096 4.320 0.001 0.000 0.215 1453 K C 1.829 178.361 176.600 -0.113 0.000 1.053 1453 K CA 2.029 58.266 56.287 -0.083 0.000 0.934 1453 K CB -0.605 31.871 32.500 -0.041 0.000 0.717 1453 K HN 0.558 nan 8.250 nan 0.000 0.450 1454 I N 0.458 120.946 120.570 -0.137 0.000 2.208 1454 I HA -0.275 3.896 4.170 0.001 0.000 0.245 1454 I C 2.372 178.135 176.117 -0.589 0.000 1.097 1454 I CA 1.407 62.567 61.300 -0.233 0.000 1.363 1454 I CB -0.282 37.614 38.000 -0.174 0.000 1.051 1454 I HN 0.190 nan 8.210 nan 0.000 0.413 1455 A N -0.834 121.687 122.820 -0.498 0.000 2.147 1455 A HA -0.007 4.313 4.320 0.001 0.000 0.211 1455 A C 2.229 179.698 177.584 -0.192 0.000 1.160 1455 A CA 1.058 52.831 52.037 -0.440 0.000 0.781 1455 A CB -0.405 18.531 19.000 -0.106 0.000 0.842 1455 A HN 0.299 nan 8.150 nan 0.000 0.475 1456 T N -0.667 113.783 114.554 -0.173 0.000 2.901 1456 T HA 0.001 4.351 4.350 0.001 0.000 0.252 1456 T C 1.778 176.402 174.700 -0.127 0.000 1.035 1456 T CA 1.258 63.277 62.100 -0.135 0.000 1.142 1456 T CB 0.015 68.819 68.868 -0.106 0.000 0.869 1456 T HN 0.548 nan 8.240 nan 0.000 0.442 1457 E N 0.171 120.294 120.200 -0.128 0.000 2.102 1457 E HA 0.078 4.428 4.350 0.001 0.000 0.190 1457 E C 1.910 178.458 176.600 -0.087 0.000 0.971 1457 E CA 0.538 56.873 56.400 -0.109 0.000 0.821 1457 E CB 0.206 29.838 29.700 -0.113 0.000 0.777 1457 E HN 0.295 nan 8.360 nan 0.000 0.460 1458 I N 0.040 120.561 120.570 -0.082 0.000 2.731 1458 I HA -0.105 4.066 4.170 0.001 0.000 0.260 1458 I C 1.660 177.884 176.117 0.179 0.000 1.138 1458 I CA 0.950 62.282 61.300 0.054 0.000 1.461 1458 I CB -0.548 37.548 38.000 0.160 0.000 1.128 1458 I HN 0.110 nan 8.210 nan 0.000 0.438 1459 Y N 1.402 121.730 120.300 0.046 0.000 2.511 1459 Y HA 0.332 4.883 4.550 0.001 0.000 0.279 1459 Y C 1.966 177.850 175.900 -0.027 0.000 1.157 1459 Y CA -0.180 57.984 58.100 0.106 0.000 1.300 1459 Y CB -1.075 37.550 38.460 0.276 0.000 1.052 1459 Y HN 0.342 nan 8.280 nan 0.000 0.529 1460 G N 0.449 109.247 108.800 -0.004 0.000 2.249 1460 G HA2 -0.155 3.805 3.960 0.001 0.000 0.273 1460 G HA3 -0.155 3.805 3.960 0.001 0.000 0.273 1460 G C 0.405 175.201 174.900 -0.173 0.000 1.036 1460 G CA 0.225 45.270 45.100 -0.092 0.000 0.824 1460 G HN 0.655 nan 8.290 nan 0.000 0.504 1461 A N -0.839 121.799 122.820 -0.303 0.000 2.286 1461 A HA 0.686 5.007 4.320 0.001 0.000 0.286 1461 A C 1.163 178.463 177.584 -0.472 0.000 1.097 1461 A CA 0.464 52.013 52.037 -0.814 0.000 0.821 1461 A CB 0.621 19.243 19.000 -0.629 0.000 1.076 1461 A HN 0.119 nan 8.150 nan 0.000 0.490 1462 D N 0.316 120.422 120.400 -0.490 0.000 2.087 1462 D HA 0.210 4.850 4.640 0.001 0.000 0.201 1462 D C 1.109 177.308 176.300 -0.169 0.000 0.980 1462 D CA 2.130 55.982 54.000 -0.247 0.000 0.849 1462 D CB -0.152 40.538 40.800 -0.183 0.000 1.001 1462 D HN 0.712 nan 8.370 nan 0.000 0.452 1463 G N -1.159 107.554 108.800 -0.144 0.000 2.911 1463 G HA2 0.541 4.501 3.960 0.001 0.000 0.299 1463 G HA3 0.541 4.501 3.960 0.001 0.000 0.299 1463 G C -1.557 173.320 174.900 -0.039 0.000 1.283 1463 G CA -0.376 44.684 45.100 -0.067 0.000 0.805 1463 G HN 0.036 nan 8.290 nan 0.000 0.548 1464 V N 0.091 120.018 119.914 0.022 0.000 2.876 1464 V HA 0.502 4.622 4.120 0.001 0.000 0.312 1464 V C -0.661 175.459 176.094 0.042 0.000 1.085 1464 V CA -0.952 61.349 62.300 0.003 0.000 0.945 1464 V CB 1.916 33.741 31.823 0.002 0.000 1.017 1464 V HN 0.718 nan 8.190 nan 0.000 0.428 1465 N N 1.680 120.323 118.700 -0.094 0.000 2.321 1465 N HA 0.701 5.442 4.740 0.001 0.000 0.299 1465 N C -1.910 173.493 175.510 -0.179 0.000 1.048 1465 N CA -0.588 52.459 53.050 -0.005 0.000 0.836 1465 N CB 2.059 40.550 38.487 0.007 0.000 1.269 1465 N HN 0.571 nan 8.380 nan 0.000 0.486 1466 Y N -0.100 120.216 120.300 0.026 0.000 2.524 1466 Y HA 0.390 4.941 4.550 0.001 0.000 0.344 1466 Y C 0.621 176.533 175.900 0.020 0.000 1.012 1466 Y CA -0.948 57.168 58.100 0.027 0.000 1.068 1466 Y CB 1.640 40.113 38.460 0.023 0.000 1.249 1466 Y HN 0.383 nan 8.280 nan 0.000 0.468 1467 T N -1.934 112.716 114.554 0.160 0.000 2.934 1467 T HA 0.580 4.930 4.350 0.001 0.000 0.283 1467 T C 1.193 175.946 174.700 0.089 0.000 1.005 1467 T CA -0.278 61.878 62.100 0.094 0.000 1.041 1467 T CB 1.688 70.592 68.868 0.060 0.000 1.042 1467 T HN 0.811 nan 8.240 nan 0.000 0.505 1468 A N 1.074 123.927 122.820 0.053 0.000 1.903 1468 A HA -0.206 4.115 4.320 0.001 0.000 0.219 1468 A C 2.202 179.800 177.584 0.023 0.000 1.191 1468 A CA 2.108 54.163 52.037 0.031 0.000 0.638 1468 A CB -1.161 17.849 19.000 0.017 0.000 0.823 1468 A HN 0.989 nan 8.150 nan 0.000 0.451 1469 E N -0.670 119.544 120.200 0.023 0.000 2.097 1469 E HA -0.196 4.154 4.350 0.001 0.000 0.196 1469 E C 2.379 178.991 176.600 0.021 0.000 1.000 1469 E CA 1.063 57.468 56.400 0.009 0.000 0.804 1469 E CB -0.331 29.378 29.700 0.015 0.000 0.740 1469 E HN 0.657 nan 8.360 nan 0.000 0.454 1470 A N 1.736 124.598 122.820 0.070 0.000 1.908 1470 A HA -0.241 4.080 4.320 0.001 0.000 0.218 1470 A C 1.722 179.371 177.584 0.108 0.000 1.181 1470 A CA 1.926 54.043 52.037 0.133 0.000 0.627 1470 A CB -0.398 18.740 19.000 0.230 0.000 0.818 1470 A HN 0.121 nan 8.150 nan 0.000 0.445 1471 D N -0.146 120.293 120.400 0.066 0.000 2.081 1471 D HA -0.120 4.520 4.640 0.001 0.000 0.194 1471 D C 1.884 178.159 176.300 -0.041 0.000 0.986 1471 D CA 1.493 55.488 54.000 -0.008 0.000 0.837 1471 D CB -0.520 40.268 40.800 -0.021 0.000 0.985 1471 D HN 0.437 nan 8.370 nan 0.000 0.448 1472 K N 0.734 121.105 120.400 -0.050 0.000 2.117 1472 K HA -0.263 4.058 4.320 0.001 0.000 0.215 1472 K C 2.099 178.604 176.600 -0.158 0.000 1.053 1472 K CA 1.825 58.059 56.287 -0.088 0.000 0.935 1472 K CB -0.308 32.141 32.500 -0.084 0.000 0.719 1472 K HN 0.107 nan 8.250 nan 0.000 0.460 1473 A N 1.507 124.211 122.820 -0.194 0.000 1.855 1473 A HA -0.116 4.205 4.320 0.001 0.000 0.215 1473 A C 1.985 179.356 177.584 -0.354 0.000 1.191 1473 A CA 1.333 53.115 52.037 -0.423 0.000 0.613 1473 A CB -0.619 18.185 19.000 -0.327 0.000 0.829 1473 A HN 0.266 nan 8.150 nan 0.000 0.442 1474 I N -0.312 120.224 120.570 -0.056 0.000 3.330 1474 I HA -0.206 3.965 4.170 0.001 0.000 0.298 1474 I C 2.164 178.311 176.117 0.049 0.000 1.317 1474 I CA 1.084 62.437 61.300 0.088 0.000 1.334 1474 I CB -0.246 37.789 38.000 0.059 0.000 1.031 1474 I HN 0.560 nan 8.210 nan 0.000 0.547 1475 Q N 0.052 119.840 119.800 -0.020 0.000 2.427 1475 Q HA 0.089 4.429 4.340 0.001 0.000 0.249 1475 Q C 2.061 178.064 176.000 0.005 0.000 0.783 1475 Q CA -0.240 55.564 55.803 0.002 0.000 0.978 1475 Q CB 0.396 29.116 28.738 -0.030 0.000 1.273 1475 Q HN 0.352 nan 8.270 nan 0.000 0.524 1476 R N -0.157 120.285 120.500 -0.097 0.000 2.127 1476 R HA -0.143 4.197 4.340 0.001 0.000 0.238 1476 R C 1.763 178.129 176.300 0.110 0.000 1.134 1476 R CA 1.478 57.536 56.100 -0.070 0.000 0.975 1476 R CB -0.102 30.061 30.300 -0.229 0.000 0.865 1476 R HN 0.226 nan 8.270 nan 0.000 0.447 1477 Y N 1.221 121.577 120.300 0.092 0.000 2.084 1477 Y HA -0.138 4.412 4.550 0.001 0.000 0.279 1477 Y C 2.324 178.321 175.900 0.161 0.000 1.119 1477 Y CA 0.622 58.816 58.100 0.157 0.000 1.101 1477 Y CB -0.947 37.586 38.460 0.123 0.000 0.989 1477 Y HN 0.044 nan 8.280 nan 0.000 0.484 1478 E N 0.102 120.470 120.200 0.280 0.000 2.055 1478 E HA -0.275 4.076 4.350 0.001 0.000 0.209 1478 E C 2.230 178.903 176.600 0.121 0.000 1.036 1478 E CA 2.386 58.882 56.400 0.161 0.000 0.849 1478 E CB -0.412 29.346 29.700 0.097 0.000 0.767 1478 E HN 0.462 nan 8.360 nan 0.000 0.461 1479 S N 0.326 116.086 115.700 0.100 0.000 2.493 1479 S HA -0.135 4.336 4.470 0.001 0.000 0.243 1479 S C 1.637 176.290 174.600 0.089 0.000 0.991 1479 S CA 0.714 58.956 58.200 0.071 0.000 0.957 1479 S CB 0.019 63.251 63.200 0.054 0.000 0.756 1479 S HN 0.091 nan 8.310 nan 0.000 0.521 1480 L N 0.847 122.162 121.223 0.154 0.000 2.607 1480 L HA 0.461 4.802 4.340 0.001 0.000 0.228 1480 L C 1.774 178.677 176.870 0.054 0.000 1.123 1480 L CA 0.747 55.696 54.840 0.181 0.000 0.890 1480 L CB -0.311 41.967 42.059 0.365 0.000 1.103 1480 L HN 0.566 nan 8.230 nan 0.000 0.468 1481 G N -1.182 107.621 108.800 0.005 0.000 2.279 1481 G HA2 -0.356 3.604 3.960 0.001 0.000 0.223 1481 G HA3 -0.356 3.604 3.960 0.001 0.000 0.223 1481 G C 0.410 175.185 174.900 -0.208 0.000 1.015 1481 G CA 0.201 45.203 45.100 -0.162 0.000 0.621 1481 G HN 0.285 nan 8.290 nan 0.000 0.506 1482 Y N 2.134 122.459 120.300 0.041 0.000 2.976 1482 Y HA 0.466 5.016 4.550 0.001 0.000 0.389 1482 Y C 1.978 177.890 175.900 0.020 0.000 1.072 1482 Y CA 0.336 58.438 58.100 0.004 0.000 1.809 1482 Y CB 0.130 38.553 38.460 -0.062 0.000 1.736 1482 Y HN 0.266 nan 8.280 nan 0.000 0.471 1483 G N -0.290 108.581 108.800 0.118 0.000 2.796 1483 G HA2 -0.088 3.872 3.960 0.001 0.000 0.210 1483 G HA3 -0.088 3.872 3.960 0.001 0.000 0.210 1483 G C 0.940 175.886 174.900 0.076 0.000 1.146 1483 G CA -0.116 45.047 45.100 0.105 0.000 0.779 1483 G HN 0.267 nan 8.290 nan 0.000 0.535 1484 N N 0.972 119.710 118.700 0.063 0.000 2.453 1484 N HA 0.282 5.022 4.740 0.001 0.000 0.270 1484 N C -0.203 175.361 175.510 0.089 0.000 1.195 1484 N CA 0.040 53.129 53.050 0.064 0.000 0.902 1484 N CB 0.936 39.445 38.487 0.036 0.000 1.186 1484 N HN 0.250 nan 8.380 nan 0.000 0.510 1485 L N 0.277 121.568 121.223 0.113 0.000 2.365 1485 L HA 0.611 4.952 4.340 0.001 0.000 0.267 1485 L C -2.226 174.763 176.870 0.199 0.000 1.033 1485 L CA -2.089 52.838 54.840 0.144 0.000 0.802 1485 L CB 0.639 42.781 42.059 0.139 0.000 1.267 1485 L HN -0.224 nan 8.230 nan 0.000 0.457 1486 P HA 0.142 nan 4.420 nan 0.000 0.274 1486 P C -1.161 176.293 177.300 0.257 0.000 1.237 1486 P CA -0.300 63.033 63.100 0.389 0.000 0.793 1486 P CB 0.841 32.764 31.700 0.370 0.000 0.977 1487 V N 1.720 121.775 119.914 0.236 0.000 2.398 1487 V HA 0.293 4.414 4.120 0.001 0.000 0.286 1487 V C 0.056 176.265 176.094 0.191 0.000 1.026 1487 V CA -0.669 61.707 62.300 0.127 0.000 0.868 1487 V CB 1.672 33.485 31.823 -0.016 0.000 0.982 1487 V HN 0.183 nan 8.190 nan 0.000 0.443 1488 V N 5.658 125.675 119.914 0.172 0.000 2.240 1488 V HA 0.300 4.420 4.120 0.001 0.000 0.265 1488 V C 0.304 176.510 176.094 0.186 0.000 1.073 1488 V CA -0.465 61.949 62.300 0.190 0.000 0.857 1488 V CB 0.866 32.793 31.823 0.173 0.000 1.114 1488 V HN 0.786 nan 8.190 nan 0.000 0.469 1489 M N 3.601 123.329 119.600 0.214 0.000 2.303 1489 M HA 0.243 4.723 4.480 0.001 0.000 0.350 1489 M C 0.478 176.895 176.300 0.195 0.000 1.518 1489 M CA 0.379 55.812 55.300 0.221 0.000 1.070 1489 M CB 0.459 33.257 32.600 0.330 0.000 1.910 1489 M HN 0.621 nan 8.290 nan 0.000 0.458 1490 A N 6.535 129.446 122.820 0.153 0.000 2.394 1490 A HA 0.543 4.863 4.320 0.001 0.000 0.333 1490 A C 0.174 177.800 177.584 0.070 0.000 1.397 1490 A CA -0.698 51.413 52.037 0.124 0.000 0.884 1490 A CB 0.326 19.403 19.000 0.129 0.000 1.147 1490 A HN 0.852 nan 8.150 nan 0.000 0.505 1491 K N 0.256 120.665 120.400 0.016 0.000 2.149 1491 K HA 0.736 5.057 4.320 0.001 0.000 0.241 1491 K C -0.078 176.426 176.600 -0.160 0.000 1.083 1491 K CA -0.730 55.526 56.287 -0.053 0.000 0.885 1491 K CB 0.629 33.088 32.500 -0.068 0.000 1.374 1491 K HN 0.200 nan 8.250 nan 0.000 0.511 1492 T N 0.513 114.954 114.554 -0.187 0.000 2.907 1492 T HA -0.013 4.338 4.350 0.001 0.000 0.298 1492 T C 0.809 175.244 174.700 -0.442 0.000 1.017 1492 T CA -0.419 61.516 62.100 -0.275 0.000 1.118 1492 T CB 0.726 69.510 68.868 -0.141 0.000 0.948 1492 T HN 0.675 nan 8.240 nan 0.000 0.531 1493 Q N 3.662 122.993 119.800 -0.782 0.000 2.392 1493 Q HA -0.015 4.325 4.340 0.001 0.000 0.203 1493 Q C 0.517 176.115 176.000 -0.670 0.000 0.917 1493 Q CA 0.954 56.210 55.803 -0.913 0.000 0.939 1493 Q CB -0.258 27.411 28.738 -1.782 0.000 1.063 1493 Q HN 0.941 nan 8.270 nan 0.000 0.516 1494 Y N 1.199 121.296 120.300 -0.338 0.000 2.465 1494 Y HA 0.272 4.823 4.550 0.001 0.000 0.311 1494 Y C 0.732 176.517 175.900 -0.192 0.000 1.204 1494 Y CA 0.062 58.025 58.100 -0.228 0.000 1.272 1494 Y CB 0.495 38.840 38.460 -0.192 0.000 1.083 1494 Y HN 0.103 nan 8.280 nan 0.000 0.508 1495 S N -1.835 113.763 115.700 -0.171 0.000 2.627 1495 S HA 0.252 4.723 4.470 0.001 0.000 0.268 1495 S C -0.762 173.665 174.600 -0.289 0.000 1.130 1495 S CA -0.712 57.369 58.200 -0.199 0.000 0.819 1495 S CB -0.141 62.977 63.200 -0.138 0.000 1.100 1495 S HN 0.010 nan 8.310 nan 0.000 0.465 1496 F N 2.628 122.461 119.950 -0.196 0.000 2.731 1496 F HA 0.354 4.882 4.527 0.001 0.000 0.304 1496 F C 1.310 176.986 175.800 -0.207 0.000 1.133 1496 F CA 0.505 58.397 58.000 -0.179 0.000 1.380 1496 F CB 0.042 39.016 39.000 -0.044 0.000 1.079 1496 F HN 0.562 nan 8.300 nan 0.000 0.550 1497 S N -1.882 113.696 115.700 -0.202 0.000 2.811 1497 S HA 0.302 4.773 4.470 0.001 0.000 0.311 1497 S C 0.282 174.798 174.600 -0.141 0.000 1.152 1497 S CA -0.526 57.514 58.200 -0.266 0.000 0.864 1497 S CB 1.500 64.185 63.200 -0.859 0.000 1.226 1497 S HN 0.158 nan 8.310 nan 0.000 0.541 1498 D N -0.711 119.662 120.400 -0.045 0.000 2.328 1498 D HA 0.096 4.737 4.640 0.001 0.000 0.221 1498 D C -0.512 175.755 176.300 -0.055 0.000 1.072 1498 D CA 0.024 54.001 54.000 -0.039 0.000 0.850 1498 D CB -0.215 40.596 40.800 0.020 0.000 0.922 1498 D HN 0.438 nan 8.370 nan 0.000 0.516 1499 D N 1.546 121.891 120.400 -0.092 0.000 2.427 1499 D HA 0.106 4.747 4.640 0.001 0.000 0.226 1499 D C 1.582 177.829 176.300 -0.087 0.000 1.076 1499 D CA -0.528 53.424 54.000 -0.080 0.000 0.849 1499 D CB 1.141 41.888 40.800 -0.087 0.000 1.052 1499 D HN 0.045 nan 8.370 nan 0.000 0.515 1500 M N 1.543 121.110 119.600 -0.055 0.000 2.763 1500 M HA -0.015 4.466 4.480 0.001 0.000 0.244 1500 M C 0.913 177.178 176.300 -0.058 0.000 1.065 1500 M CA 0.884 56.167 55.300 -0.028 0.000 1.070 1500 M CB -0.611 31.999 32.600 0.017 0.000 1.494 1500 M HN 0.204 nan 8.290 nan 0.000 0.546 1501 T N -3.182 111.331 114.554 -0.069 0.000 2.990 1501 T HA 0.198 4.549 4.350 0.001 0.000 0.250 1501 T C 0.730 175.392 174.700 -0.063 0.000 1.041 1501 T CA -0.330 61.728 62.100 -0.071 0.000 1.010 1501 T CB 0.049 68.879 68.868 -0.063 0.000 1.003 1501 T HN 0.410 nan 8.240 nan 0.000 0.499 1502 K N 2.129 122.479 120.400 -0.083 0.000 2.111 1502 K HA 0.321 4.642 4.320 0.001 0.000 0.249 1502 K C -0.509 176.059 176.600 -0.053 0.000 1.157 1502 K CA -0.485 55.746 56.287 -0.093 0.000 1.048 1502 K CB 0.091 32.478 32.500 -0.190 0.000 1.498 1502 K HN 0.122 nan 8.250 nan 0.000 0.344 1503 L N 0.939 122.169 121.223 0.012 0.000 2.420 1503 L HA 0.148 4.489 4.340 0.001 0.000 0.198 1503 L C 1.705 178.672 176.870 0.162 0.000 1.165 1503 L CA 1.239 56.163 54.840 0.141 0.000 0.863 1503 L CB -0.564 41.571 42.059 0.126 0.000 1.371 1503 L HN 0.825 nan 8.230 nan 0.000 0.536 1504 G N 0.078 109.086 108.800 0.346 0.000 2.578 1504 G HA2 -0.384 3.576 3.960 0.001 0.000 0.313 1504 G HA3 -0.384 3.576 3.960 0.001 0.000 0.313 1504 G C 0.234 175.147 174.900 0.021 0.000 1.324 1504 G CA 0.694 45.829 45.100 0.058 0.000 0.955 1504 G HN 0.758 nan 8.290 nan 0.000 0.541 1505 R N 1.919 122.465 120.500 0.076 0.000 2.825 1505 R HA 0.410 4.750 4.340 0.001 0.000 0.261 1505 R C -1.952 174.406 176.300 0.096 0.000 1.341 1505 R CA -1.306 54.868 56.100 0.124 0.000 1.353 1505 R CB 0.548 30.889 30.300 0.067 0.000 1.191 1505 R HN 0.468 nan 8.270 nan 0.000 0.590 1506 P HA 0.050 nan 4.420 nan 0.000 0.267 1506 P C -0.966 176.487 177.300 0.255 0.000 1.209 1506 P CA 0.121 63.236 63.100 0.025 0.000 0.763 1506 P CB 0.936 32.457 31.700 -0.298 0.000 0.816 1507 R N 2.819 123.466 120.500 0.246 0.000 2.778 1507 R HA 0.309 4.649 4.340 0.001 0.000 0.277 1507 R C 0.020 176.490 176.300 0.283 0.000 0.977 1507 R CA -0.771 55.486 56.100 0.261 0.000 0.950 1507 R CB 0.838 31.210 30.300 0.120 0.000 1.165 1507 R HN 0.454 nan 8.270 nan 0.000 0.474 1508 N N 1.528 120.333 118.700 0.174 0.000 2.648 1508 N HA -0.211 4.529 4.740 0.001 0.000 0.265 1508 N C -1.227 174.406 175.510 0.205 0.000 1.100 1508 N CA 1.373 54.486 53.050 0.105 0.000 0.715 1508 N CB -1.097 37.437 38.487 0.078 0.000 0.881 1508 N HN 0.441 nan 8.380 nan 0.000 0.548 1509 F N -2.167 117.795 119.950 0.020 0.000 2.726 1509 F HA 0.844 5.372 4.527 0.001 0.000 0.324 1509 F C -0.446 175.370 175.800 0.028 0.000 1.140 1509 F CA -0.801 57.214 58.000 0.024 0.000 0.964 1509 F CB 1.355 40.374 39.000 0.031 0.000 1.399 1509 F HN -0.105 nan 8.300 nan 0.000 0.491 1510 T N 2.681 117.335 114.554 0.167 0.000 2.952 1510 T HA 0.512 4.862 4.350 0.001 0.000 0.305 1510 T C -0.825 173.980 174.700 0.174 0.000 1.064 1510 T CA -0.533 61.586 62.100 0.032 0.000 1.008 1510 T CB 1.739 70.621 68.868 0.023 0.000 1.078 1510 T HN 0.542 nan 8.240 nan 0.000 0.459 1511 I N 2.179 122.819 120.570 0.117 0.000 2.581 1511 I HA 0.341 4.511 4.170 0.001 0.000 0.288 1511 I C 0.641 176.760 176.117 0.004 0.000 1.047 1511 I CA -0.035 61.342 61.300 0.128 0.000 1.374 1511 I CB 1.033 39.116 38.000 0.138 0.000 1.423 1511 I HN 0.635 nan 8.210 nan 0.000 0.549 1512 T N 5.101 119.647 114.554 -0.014 0.000 3.009 1512 T HA 0.232 4.582 4.350 0.001 0.000 0.346 1512 T C -0.522 174.115 174.700 -0.105 0.000 1.092 1512 T CA -0.314 61.741 62.100 -0.075 0.000 1.080 1512 T CB 0.759 69.618 68.868 -0.015 0.000 1.037 1512 T HN 0.437 nan 8.240 nan 0.000 0.487 1513 V N 5.618 125.387 119.914 -0.242 0.000 2.508 1513 V HA 0.462 4.583 4.120 0.001 0.000 0.281 1513 V C 0.670 176.715 176.094 -0.083 0.000 1.041 1513 V CA 0.153 62.348 62.300 -0.176 0.000 1.016 1513 V CB 0.624 32.273 31.823 -0.290 0.000 0.984 1513 V HN 0.850 nan 8.190 nan 0.000 0.478 1514 R N 4.102 124.597 120.500 -0.009 0.000 2.437 1514 R HA 0.449 4.790 4.340 0.001 0.000 0.257 1514 R C 0.248 176.576 176.300 0.047 0.000 0.927 1514 R CA -0.011 56.103 56.100 0.023 0.000 1.078 1514 R CB 0.738 31.049 30.300 0.018 0.000 1.161 1514 R HN 0.874 nan 8.270 nan 0.000 0.529 1515 E N 0.183 120.421 120.200 0.063 0.000 2.401 1515 E HA 0.325 4.675 4.350 0.001 0.000 0.280 1515 E C -1.833 174.834 176.600 0.112 0.000 1.039 1515 E CA -0.636 55.810 56.400 0.077 0.000 0.814 1515 E CB 2.571 32.310 29.700 0.065 0.000 1.275 1515 E HN -0.179 nan 8.360 nan 0.000 0.448 1516 V N 2.938 122.937 119.914 0.142 0.000 2.668 1516 V HA 0.523 4.644 4.120 0.001 0.000 0.304 1516 V C -0.452 175.822 176.094 0.300 0.000 1.071 1516 V CA -0.730 61.700 62.300 0.216 0.000 0.894 1516 V CB 1.888 33.871 31.823 0.267 0.000 1.008 1516 V HN 0.592 nan 8.190 nan 0.000 0.425 1517 R N 2.695 123.343 120.500 0.246 0.000 2.856 1517 R HA 0.793 5.133 4.340 0.001 0.000 0.258 1517 R C -1.497 174.837 176.300 0.057 0.000 1.066 1517 R CA -1.022 55.210 56.100 0.220 0.000 1.045 1517 R CB 2.371 32.752 30.300 0.136 0.000 1.178 1517 R HN 0.476 nan 8.270 nan 0.000 0.499 1518 L N -0.286 120.902 121.223 -0.059 0.000 2.386 1518 L HA 0.406 4.746 4.340 0.001 0.000 0.271 1518 L C -1.035 175.751 176.870 -0.139 0.000 0.993 1518 L CA 0.087 54.744 54.840 -0.305 0.000 0.819 1518 L CB 2.396 44.023 42.059 -0.721 0.000 1.294 1518 L HN 0.482 nan 8.230 nan 0.000 0.414 1519 S N 4.032 119.666 115.700 -0.110 0.000 2.130 1519 S HA 0.416 4.887 4.470 0.001 0.000 0.165 1519 S C 1.022 175.611 174.600 -0.019 0.000 1.677 1519 S CA 0.024 58.216 58.200 -0.013 0.000 1.227 1519 S CB 1.210 64.442 63.200 0.053 0.000 1.115 1519 S HN 0.860 nan 8.310 nan 0.000 0.452 1520 A N 1.646 124.416 122.820 -0.083 0.000 2.139 1520 A HA 0.033 4.354 4.320 0.001 0.000 0.221 1520 A C 1.635 179.263 177.584 0.073 0.000 1.159 1520 A CA 1.341 53.375 52.037 -0.005 0.000 0.662 1520 A CB -0.381 18.603 19.000 -0.027 0.000 0.796 1520 A HN 0.717 nan 8.150 nan 0.000 0.463 1521 G N -1.739 107.106 108.800 0.075 0.000 3.943 1521 G HA2 0.485 4.446 3.960 0.001 0.000 0.275 1521 G HA3 0.485 4.446 3.960 0.001 0.000 0.275 1521 G C 0.593 175.568 174.900 0.126 0.000 1.234 1521 G CA 0.521 45.685 45.100 0.107 0.000 1.522 1521 G HN 1.199 nan 8.290 nan 0.000 0.636 1522 G N 0.706 109.586 108.800 0.133 0.000 2.191 1522 G HA2 0.277 4.237 3.960 0.001 0.000 0.090 1522 G HA3 0.277 4.237 3.960 0.001 0.000 0.090 1522 G C 0.127 175.141 174.900 0.189 0.000 1.980 1522 G CA 0.502 45.721 45.100 0.198 0.000 1.116 1522 G HN 0.993 nan 8.290 nan 0.000 0.313 1523 R N -0.900 119.676 120.500 0.127 0.000 4.167 1523 R HA 0.614 4.955 4.340 0.001 0.000 0.251 1523 R C -1.315 175.009 176.300 0.041 0.000 0.942 1523 R CA -0.701 55.465 56.100 0.109 0.000 0.731 1523 R CB -0.451 29.949 30.300 0.167 0.000 1.870 1523 R HN 0.562 nan 8.270 nan 0.000 0.379 1524 L N 2.189 123.446 121.223 0.056 0.000 2.259 1524 L HA 0.437 4.778 4.340 0.001 0.000 0.288 1524 L C -0.186 176.729 176.870 0.074 0.000 1.051 1524 L CA -0.834 54.020 54.840 0.023 0.000 0.824 1524 L CB 0.766 42.844 42.059 0.032 0.000 1.206 1524 L HN 0.333 nan 8.230 nan 0.000 0.429 1525 I N 3.371 123.982 120.570 0.069 0.000 3.079 1525 I HA 0.195 4.366 4.170 0.001 0.000 0.295 1525 I C 0.287 176.481 176.117 0.128 0.000 1.094 1525 I CA -0.014 61.351 61.300 0.108 0.000 1.295 1525 I CB 1.822 39.885 38.000 0.105 0.000 1.443 1525 I HN 0.311 nan 8.210 nan 0.000 0.607 1526 V N 6.087 126.081 119.914 0.134 0.000 3.266 1526 V HA 0.309 4.430 4.120 0.001 0.000 0.246 1526 V C -2.706 173.455 176.094 0.113 0.000 0.914 1526 V CA -0.976 61.405 62.300 0.134 0.000 1.015 1526 V CB 1.696 33.606 31.823 0.144 0.000 0.975 1526 V HN 0.588 nan 8.190 nan 0.000 0.512 1527 P HA 0.395 nan 4.420 nan 0.000 0.274 1527 P C 0.298 177.630 177.300 0.053 0.000 1.231 1527 P CA -0.186 62.961 63.100 0.080 0.000 0.790 1527 P CB 1.781 33.529 31.700 0.079 0.000 0.951 1528 I N 0.696 121.289 120.570 0.039 0.000 4.056 1528 I HA 0.026 4.197 4.170 0.001 0.000 0.232 1528 I C 1.965 178.091 176.117 0.014 0.000 1.031 1528 I CA 0.915 62.226 61.300 0.018 0.000 1.571 1528 I CB -1.920 36.090 38.000 0.018 0.000 1.470 1528 I HN 0.369 nan 8.210 nan 0.000 0.463 1529 T N -0.236 114.323 114.554 0.009 0.000 4.536 1529 T HA 0.201 4.552 4.350 0.001 0.000 0.337 1529 T C 1.207 175.917 174.700 0.016 0.000 1.148 1529 T CA 0.305 62.409 62.100 0.007 0.000 0.923 1529 T CB -0.624 68.242 68.868 -0.004 0.000 1.977 1529 T HN 0.358 nan 8.240 nan 0.000 0.477 1530 G N 0.143 108.952 108.800 0.014 0.000 3.474 1530 G HA2 0.457 4.417 3.960 0.001 0.000 0.269 1530 G HA3 0.457 4.417 3.960 0.001 0.000 0.269 1530 G C 0.926 175.843 174.900 0.030 0.000 1.339 1530 G CA 0.065 45.179 45.100 0.023 0.000 1.258 1530 G HN 0.991 nan 8.290 nan 0.000 0.560 1531 A N 0.251 123.088 122.820 0.029 0.000 2.247 1531 A HA 0.178 4.498 4.320 0.001 0.000 0.205 1531 A C 1.725 179.359 177.584 0.083 0.000 1.261 1531 A CA 0.094 52.153 52.037 0.036 0.000 0.853 1531 A CB -0.277 18.738 19.000 0.026 0.000 0.793 1531 A HN 0.577 nan 8.150 nan 0.000 0.487 1532 I N -1.455 119.162 120.570 0.078 0.000 3.419 1532 I HA 0.054 4.225 4.170 0.001 0.000 0.286 1532 I C 1.140 177.327 176.117 0.117 0.000 1.268 1532 I CA 0.088 61.445 61.300 0.094 0.000 1.414 1532 I CB -0.057 37.983 38.000 0.066 0.000 1.074 1532 I HN 0.354 nan 8.210 nan 0.000 0.457 1533 M N 2.369 122.035 119.600 0.110 0.000 3.510 1533 M HA -0.096 4.385 4.480 0.001 0.000 0.205 1533 M C 0.781 177.223 176.300 0.236 0.000 1.846 1533 M CA 0.681 56.056 55.300 0.124 0.000 1.795 1533 M CB -1.096 31.553 32.600 0.083 0.000 1.454 1533 M HN 0.246 nan 8.290 nan 0.000 0.505 1534 T N 1.190 115.868 114.554 0.207 0.000 3.251 1534 T HA 0.478 4.828 4.350 0.001 0.000 0.259 1534 T C 0.141 174.918 174.700 0.129 0.000 0.998 1534 T CA -0.504 61.727 62.100 0.218 0.000 0.905 1534 T CB -0.313 68.582 68.868 0.045 0.000 1.067 1534 T HN 0.616 nan 8.240 nan 0.000 0.569 1535 M N 0.915 120.609 119.600 0.156 0.000 2.719 1535 M HA 0.384 4.864 4.480 0.001 0.000 0.149 1535 M C -3.293 173.062 176.300 0.091 0.000 0.965 1535 M CA -1.981 53.381 55.300 0.103 0.000 0.745 1535 M CB 0.816 33.452 32.600 0.060 0.000 3.178 1535 M HN -0.181 nan 8.290 nan 0.000 0.333 1536 P HA 0.425 nan 4.420 nan 0.000 0.270 1536 P C 0.042 177.371 177.300 0.047 0.000 1.221 1536 P CA 0.160 63.304 63.100 0.073 0.000 0.788 1536 P CB 0.632 32.379 31.700 0.079 0.000 0.904 1537 G N 1.092 109.913 108.800 0.035 0.000 2.470 1537 G HA2 0.515 4.476 3.960 0.001 0.000 0.320 1537 G HA3 0.515 4.476 3.960 0.001 0.000 0.320 1537 G C -0.827 174.086 174.900 0.023 0.000 1.245 1537 G CA -0.723 44.391 45.100 0.023 0.000 0.935 1537 G HN 0.382 nan 8.290 nan 0.000 0.476 1538 L N 2.829 124.064 121.223 0.020 0.000 2.559 1538 L HA 0.120 4.461 4.340 0.001 0.000 0.274 1538 L C -1.636 175.245 176.870 0.019 0.000 1.205 1538 L CA -1.090 53.766 54.840 0.026 0.000 0.907 1538 L CB 0.414 42.487 42.059 0.025 0.000 1.153 1538 L HN 0.291 nan 8.230 nan 0.000 0.490 1539 P HA -0.007 nan 4.420 nan 0.000 0.269 1539 P C 0.265 177.571 177.300 0.010 0.000 1.217 1539 P CA -0.385 62.722 63.100 0.011 0.000 0.783 1539 P CB 0.511 32.217 31.700 0.010 0.000 0.898 1540 K N 1.374 121.776 120.400 0.004 0.000 2.218 1540 K HA -0.189 4.131 4.320 0.001 0.000 0.205 1540 K C 0.881 177.484 176.600 0.006 0.000 1.046 1540 K CA 1.438 57.727 56.287 0.003 0.000 0.933 1540 K CB -0.119 32.381 32.500 -0.001 0.000 0.728 1540 K HN 0.192 nan 8.250 nan 0.000 0.454 1541 R N 1.830 122.334 120.500 0.006 0.000 2.346 1541 R HA 0.245 4.585 4.340 0.001 0.000 0.309 1541 R C -2.545 173.764 176.300 0.015 0.000 1.119 1541 R CA -2.383 53.722 56.100 0.008 0.000 1.112 1541 R CB 0.787 31.089 30.300 0.003 0.000 1.132 1541 R HN 0.028 nan 8.270 nan 0.000 0.538 1542 P HA -0.005 nan 4.420 nan 0.000 0.260 1542 P C 0.112 177.437 177.300 0.041 0.000 1.207 1542 P CA 0.251 63.375 63.100 0.041 0.000 0.780 1542 P CB 1.230 32.958 31.700 0.046 0.000 0.789 1543 A N 4.285 127.128 122.820 0.039 0.000 2.186 1543 A HA -0.112 4.208 4.320 0.001 0.000 0.219 1543 A C 1.953 179.548 177.584 0.018 0.000 1.159 1543 A CA 1.823 53.867 52.037 0.011 0.000 0.680 1543 A CB -0.870 18.122 19.000 -0.013 0.000 0.787 1543 A HN 0.525 nan 8.150 nan 0.000 0.467 1544 A N -1.830 121.041 122.820 0.085 0.000 2.030 1544 A HA 0.019 4.339 4.320 0.001 0.000 0.215 1544 A C 1.984 179.621 177.584 0.089 0.000 1.164 1544 A CA 1.034 53.158 52.037 0.144 0.000 0.697 1544 A CB -0.923 18.247 19.000 0.282 0.000 0.827 1544 A HN 0.525 nan 8.150 nan 0.000 0.457 1545 C N 0.225 119.560 119.300 0.059 0.000 2.430 1545 C HA 0.009 4.470 4.460 0.001 0.000 0.288 1545 C C 2.006 177.013 174.990 0.028 0.000 1.448 1545 C CA 1.086 60.128 59.018 0.039 0.000 1.784 1545 C CB -1.244 26.513 27.740 0.027 0.000 1.776 1545 C HN 0.606 nan 8.230 nan 0.000 0.547 1546 N N -0.211 118.502 118.700 0.022 0.000 2.159 1546 N HA 0.194 4.935 4.740 0.001 0.000 0.217 1546 N C -0.152 175.360 175.510 0.002 0.000 1.223 1546 N CA -0.002 53.053 53.050 0.008 0.000 0.896 1546 N CB 0.333 38.820 38.487 -0.001 0.000 1.064 1546 N HN 0.279 nan 8.380 nan 0.000 0.518 1547 I N 1.406 121.981 120.570 0.008 0.000 2.496 1547 I HA 0.177 4.347 4.170 0.001 0.000 0.285 1547 I C 0.089 176.218 176.117 0.019 0.000 1.080 1547 I CA 0.461 61.757 61.300 -0.006 0.000 1.404 1547 I CB 0.864 38.853 38.000 -0.017 0.000 1.403 1547 I HN -0.049 nan 8.210 nan 0.000 0.539 1548 D N 7.156 127.562 120.400 0.010 0.000 2.333 1548 D HA 0.172 4.812 4.640 0.001 0.000 0.225 1548 D C -0.747 175.563 176.300 0.016 0.000 1.345 1548 D CA -0.392 53.620 54.000 0.020 0.000 0.971 1548 D CB 1.414 42.224 40.800 0.017 0.000 1.451 1548 D HN 0.431 nan 8.370 nan 0.000 0.561 1549 I N 2.376 122.962 120.570 0.026 0.000 2.752 1549 I HA 0.007 4.177 4.170 0.001 0.000 0.287 1549 I C 0.725 176.854 176.117 0.020 0.000 1.188 1549 I CA 0.227 61.541 61.300 0.024 0.000 1.427 1549 I CB 0.535 38.557 38.000 0.037 0.000 1.365 1549 I HN 0.386 nan 8.210 nan 0.000 0.585 1550 D N 4.597 125.006 120.400 0.015 0.000 2.453 1550 D HA 0.234 4.874 4.640 0.001 0.000 0.282 1550 D C 0.725 177.035 176.300 0.016 0.000 1.222 1550 D CA 0.284 54.291 54.000 0.013 0.000 1.079 1550 D CB 1.427 42.232 40.800 0.008 0.000 1.128 1550 D HN 0.632 nan 8.370 nan 0.000 0.568 1551 A N -0.399 122.430 122.820 0.014 0.000 2.168 1551 A HA -0.047 4.273 4.320 0.001 0.000 0.215 1551 A C 0.647 178.241 177.584 0.016 0.000 1.152 1551 A CA 1.584 53.630 52.037 0.015 0.000 0.716 1551 A CB -0.124 18.883 19.000 0.012 0.000 0.794 1551 A HN 0.531 nan 8.150 nan 0.000 0.465 1552 D N -2.253 118.156 120.400 0.014 0.000 2.846 1552 D HA 0.286 4.926 4.640 0.001 0.000 0.200 1552 D C 0.924 177.232 176.300 0.014 0.000 1.421 1552 D CA 0.599 54.608 54.000 0.015 0.000 1.400 1552 D CB -0.404 40.402 40.800 0.011 0.000 1.461 1552 D HN 0.256 nan 8.370 nan 0.000 0.352 1553 G N 1.340 110.145 108.800 0.009 0.000 2.417 1553 G HA2 0.538 4.499 3.960 0.001 0.000 0.320 1553 G HA3 0.538 4.499 3.960 0.001 0.000 0.320 1553 G C 0.151 175.052 174.900 0.003 0.000 1.204 1553 G CA -0.475 44.628 45.100 0.005 0.000 0.923 1553 G HN 0.057 nan 8.290 nan 0.000 0.466 1554 V N 2.029 121.944 119.914 0.002 0.000 3.524 1554 V HA 0.140 4.261 4.120 0.001 0.000 0.303 1554 V C 0.628 176.714 176.094 -0.014 0.000 1.130 1554 V CA 0.405 62.703 62.300 -0.004 0.000 1.225 1554 V CB 1.050 32.867 31.823 -0.010 0.000 1.056 1554 V HN 0.684 nan 8.190 nan 0.000 0.495 1555 I N 1.264 121.822 120.570 -0.021 0.000 2.651 1555 I HA 0.356 4.527 4.170 0.001 0.000 0.287 1555 I C -0.183 175.912 176.117 -0.036 0.000 1.244 1555 I CA 0.159 61.444 61.300 -0.024 0.000 1.061 1555 I CB 1.584 39.576 38.000 -0.014 0.000 1.286 1555 I HN 0.849 nan 8.210 nan 0.000 0.434 1556 T N 3.488 118.015 114.554 -0.045 0.000 5.204 1556 T HA -0.080 4.271 4.350 0.001 0.000 0.272 1556 T C 0.265 174.910 174.700 -0.092 0.000 2.064 1556 T CA 0.464 62.529 62.100 -0.058 0.000 3.560 1556 T CB -1.631 67.207 68.868 -0.050 0.000 0.863 1556 T HN 0.944 nan 8.240 nan 0.000 1.078 1557 G N 0.000 108.744 108.800 -0.093 0.000 5.446 1557 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 1557 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 1557 G CA 0.000 45.025 45.100 -0.125 0.000 0.502 1557 G HN 0.000 nan 8.290 nan 0.000 0.925