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 2asj_1_B DATA FIRST_RESID 1001 DATA SEQUENCE GIVLFVDFDY FYAQVEEVLN PSLKGKPVVV CVFSGRFEDS GAVATANYEA DATA SEQUENCE RKFGVKAGIP IVEAKKILPN AVYLPMRKEV YQQVSSRIMN LLREYSEKIE DATA SEQUENCE IASIDEAYLD ISDKVRDYRE AYNLGLEIKN KILEKEKITV TVGISKNKVF DATA SEQUENCE AKIAADMAKP NGIKVIDDEE VKRLIRELDI ADVPGIGNIT AEKLKKLGIN DATA SEQUENCE KLVDTLSIEF DKLKGMIGEA KAKYLISLAR DEYNEPIRTR VRKSIGRIVT DATA SEQUENCE MKRNSRNLEE IKPYLFRAIE ESYYKLDKRI PKAIHVVAVT EDLDIVSRGR DATA SEQUENCE TFPHGISKET AYSESVKLLQ KILEEDERKI RRIGVRFSKF I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 G HA2 0.000 nan 3.960 nan 0.000 0.244 1001 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1001 G C 0.000 174.904 174.900 0.006 0.000 0.946 1001 G CA 0.000 45.094 45.100 -0.009 0.000 0.502 1002 I N 1.143 121.731 120.570 0.029 0.000 2.465 1002 I HA 0.636 4.806 4.170 -0.000 0.000 0.291 1002 I C -0.669 175.536 176.117 0.147 0.000 1.014 1002 I CA -1.054 60.298 61.300 0.086 0.000 1.093 1002 I CB 2.268 40.284 38.000 0.026 0.000 1.267 1002 I HN 0.188 nan 8.210 nan 0.000 0.431 1003 V N 6.562 126.603 119.914 0.213 0.000 2.680 1003 V HA 0.531 4.651 4.120 -0.000 0.000 0.309 1003 V C -0.600 175.632 176.094 0.230 0.000 1.052 1003 V CA -0.727 61.707 62.300 0.222 0.000 0.908 1003 V CB 2.488 34.463 31.823 0.253 0.000 1.001 1003 V HN 0.539 nan 8.190 nan 0.000 0.431 1004 L N 4.455 125.804 121.223 0.209 0.000 2.406 1004 L HA 0.639 4.979 4.340 -0.000 0.000 0.270 1004 L C -1.588 175.358 176.870 0.126 0.000 0.982 1004 L CA -0.430 54.497 54.840 0.145 0.000 0.843 1004 L CB 1.386 43.492 42.059 0.077 0.000 1.225 1004 L HN 0.696 nan 8.230 nan 0.000 0.412 1005 F N 6.031 125.925 119.950 -0.093 0.000 2.458 1005 F HA 0.719 5.246 4.527 -0.000 0.000 0.336 1005 F C -1.157 174.495 175.800 -0.247 0.000 1.114 1005 F CA -0.568 57.257 58.000 -0.292 0.000 0.987 1005 F CB 1.552 40.311 39.000 -0.401 0.000 1.130 1005 F HN 0.085 nan 8.300 nan 0.000 0.458 1006 V N 4.798 124.159 119.914 -0.923 0.000 2.459 1006 V HA 0.397 4.517 4.120 -0.000 0.000 0.295 1006 V C -1.245 174.147 176.094 -1.169 0.000 1.029 1006 V CA -0.640 61.222 62.300 -0.731 0.000 0.874 1006 V CB 1.631 33.241 31.823 -0.356 0.000 0.985 1006 V HN 0.762 nan 8.190 nan 0.000 0.438 1007 D N 2.905 122.825 120.400 -0.799 0.000 2.788 1007 D HA 0.540 5.180 4.640 -0.000 0.000 0.247 1007 D C -1.023 175.100 176.300 -0.296 0.000 1.236 1007 D CA -0.394 53.166 54.000 -0.732 0.000 0.898 1007 D CB 1.169 41.693 40.800 -0.460 0.000 1.401 1007 D HN 0.200 nan 8.370 nan 0.000 0.549 1008 F N 1.953 121.693 119.950 -0.350 0.000 2.467 1008 F HA 0.257 4.784 4.527 -0.000 0.000 0.362 1008 F C 0.976 176.698 175.800 -0.131 0.000 1.090 1008 F CA -0.906 56.923 58.000 -0.285 0.000 1.202 1008 F CB 0.267 38.936 39.000 -0.551 0.000 1.113 1008 F HN 0.201 nan 8.300 nan 0.000 0.541 1009 D N 3.421 123.898 120.400 0.128 0.000 2.390 1009 D HA -0.003 4.637 4.640 -0.000 0.000 0.249 1009 D C 0.408 176.694 176.300 -0.024 0.000 1.144 1009 D CA 0.075 54.200 54.000 0.210 0.000 0.880 1009 D CB 0.258 41.274 40.800 0.361 0.000 1.182 1009 D HN 0.697 nan 8.370 nan 0.000 0.451 1010 Y N 0.010 120.362 120.300 0.086 0.000 2.953 1010 Y HA -0.344 4.206 4.550 -0.000 0.000 0.216 1010 Y C 0.607 176.509 175.900 0.004 0.000 1.125 1010 Y CA -0.417 57.650 58.100 -0.054 0.000 0.882 1010 Y CB -2.271 36.095 38.460 -0.155 0.000 1.148 1010 Y HN 0.298 nan 8.280 nan 0.000 0.479 1011 F N 1.457 121.237 119.950 -0.283 0.000 2.046 1011 F HA -0.231 4.296 4.527 -0.000 0.000 0.297 1011 F C 2.102 177.746 175.800 -0.261 0.000 1.123 1011 F CA 1.752 59.585 58.000 -0.277 0.000 1.199 1011 F CB -0.682 38.215 39.000 -0.171 0.000 0.972 1011 F HN 0.360 nan 8.300 nan 0.000 0.474 1012 Y N 0.405 120.400 120.300 -0.508 0.000 2.114 1012 Y HA -0.192 4.358 4.550 -0.000 0.000 0.282 1012 Y C 2.709 178.238 175.900 -0.619 0.000 1.165 1012 Y CA 0.877 58.383 58.100 -0.989 0.000 1.148 1012 Y CB -1.843 36.119 38.460 -0.830 0.000 0.972 1012 Y HN 0.152 nan 8.280 nan 0.000 0.504 1013 A N -0.327 122.416 122.820 -0.129 0.000 1.902 1013 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 1013 A C 2.293 179.864 177.584 -0.022 0.000 1.181 1013 A CA 1.746 53.781 52.037 -0.003 0.000 0.623 1013 A CB -0.833 18.253 19.000 0.145 0.000 0.818 1013 A HN 0.544 nan 8.150 nan 0.000 0.443 1014 Q N -0.258 119.428 119.800 -0.191 0.000 2.167 1014 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 1014 Q C 1.859 177.740 176.000 -0.198 0.000 0.970 1014 Q CA 1.526 57.162 55.803 -0.279 0.000 0.855 1014 Q CB -0.142 28.177 28.738 -0.697 0.000 0.911 1014 Q HN 0.428 nan 8.270 nan 0.000 0.438 1015 V N 1.456 121.195 119.914 -0.292 0.000 2.407 1015 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 1015 V C 1.972 178.036 176.094 -0.051 0.000 1.055 1015 V CA 1.761 63.938 62.300 -0.206 0.000 1.049 1015 V CB -0.390 31.265 31.823 -0.280 0.000 0.662 1015 V HN 0.357 nan 8.190 nan 0.000 0.455 1016 E N -0.164 120.024 120.200 -0.021 0.000 2.347 1016 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 1016 E C 2.030 178.647 176.600 0.028 0.000 1.008 1016 E CA 0.625 57.048 56.400 0.038 0.000 0.852 1016 E CB 0.037 29.773 29.700 0.060 0.000 0.783 1016 E HN 0.709 nan 8.360 nan 0.000 0.505 1017 E N 0.105 120.317 120.200 0.021 0.000 2.190 1017 E HA -0.027 4.323 4.350 -0.000 0.000 0.191 1017 E C 2.084 178.697 176.600 0.022 0.000 0.978 1017 E CA 0.247 56.669 56.400 0.037 0.000 0.839 1017 E CB 0.389 30.135 29.700 0.077 0.000 0.787 1017 E HN -0.008 nan 8.360 nan 0.000 0.473 1018 V N 1.163 121.077 119.914 0.001 0.000 2.427 1018 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 1018 V C 2.119 178.215 176.094 0.003 0.000 1.051 1018 V CA 1.146 63.444 62.300 -0.003 0.000 1.048 1018 V CB -0.235 31.575 31.823 -0.022 0.000 0.666 1018 V HN 0.182 nan 8.190 nan 0.000 0.456 1019 L N 0.159 121.386 121.223 0.006 0.000 2.056 1019 L HA 0.026 4.366 4.340 -0.000 0.000 0.207 1019 L C 1.323 178.201 176.870 0.014 0.000 1.078 1019 L CA 1.566 56.413 54.840 0.010 0.000 0.749 1019 L CB -0.453 41.616 42.059 0.017 0.000 0.901 1019 L HN 0.372 nan 8.230 nan 0.000 0.433 1020 N N -0.724 117.988 118.700 0.020 0.000 2.816 1020 N HA 0.188 4.928 4.740 -0.000 0.000 0.236 1020 N C -2.112 173.412 175.510 0.022 0.000 1.076 1020 N CA -2.073 50.990 53.050 0.021 0.000 0.902 1020 N CB 1.186 39.688 38.487 0.025 0.000 1.149 1020 N HN -0.110 nan 8.380 nan 0.000 0.506 1021 P HA -0.093 nan 4.420 nan 0.000 0.221 1021 P C 1.183 178.497 177.300 0.023 0.000 1.145 1021 P CA 0.844 63.957 63.100 0.021 0.000 0.795 1021 P CB 0.404 32.114 31.700 0.017 0.000 0.775 1022 S N -1.469 114.243 115.700 0.021 0.000 2.474 1022 S HA -0.054 4.416 4.470 -0.000 0.000 0.235 1022 S C 1.583 176.196 174.600 0.022 0.000 0.997 1022 S CA 0.426 58.638 58.200 0.019 0.000 0.949 1022 S CB -0.713 62.497 63.200 0.017 0.000 0.766 1022 S HN -0.053 nan 8.310 nan 0.000 0.517 1023 L N 1.236 122.475 121.223 0.027 0.000 2.179 1023 L HA 0.323 4.663 4.340 -0.000 0.000 0.208 1023 L C 0.930 177.821 176.870 0.035 0.000 1.096 1023 L CA 0.980 55.837 54.840 0.029 0.000 0.779 1023 L CB -0.566 41.513 42.059 0.033 0.000 0.922 1023 L HN 0.049 nan 8.230 nan 0.000 0.443 1024 K N -0.523 119.904 120.400 0.044 0.000 2.550 1024 K HA 0.251 4.571 4.320 -0.000 0.000 0.280 1024 K C 1.178 177.802 176.600 0.040 0.000 0.987 1024 K CA 1.209 57.529 56.287 0.056 0.000 1.048 1024 K CB -0.083 32.450 32.500 0.056 0.000 0.879 1024 K HN 0.348 nan 8.250 nan 0.000 0.491 1025 G N 2.342 111.165 108.800 0.039 0.000 2.199 1025 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.254 1025 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.254 1025 G C -0.374 174.535 174.900 0.015 0.000 0.982 1025 G CA 0.344 45.458 45.100 0.024 0.000 0.632 1025 G HN 0.513 nan 8.290 nan 0.000 0.529 1026 K N 1.334 121.741 120.400 0.011 0.000 2.203 1026 K HA 0.536 4.856 4.320 -0.000 0.000 0.251 1026 K C -2.693 173.895 176.600 -0.020 0.000 0.944 1026 K CA -2.150 54.134 56.287 -0.005 0.000 0.829 1026 K CB 2.505 35.002 32.500 -0.006 0.000 1.125 1026 K HN -0.022 nan 8.250 nan 0.000 0.430 1027 P HA 0.023 nan 4.420 nan 0.000 0.271 1027 P C -0.725 176.507 177.300 -0.114 0.000 1.233 1027 P CA -0.131 62.925 63.100 -0.074 0.000 0.764 1027 P CB 0.521 32.163 31.700 -0.096 0.000 0.825 1028 V N 5.361 125.214 119.914 -0.101 0.000 2.409 1028 V HA 0.248 4.368 4.120 -0.000 0.000 0.291 1028 V C 0.257 176.263 176.094 -0.147 0.000 1.020 1028 V CA -0.705 61.530 62.300 -0.109 0.000 0.848 1028 V CB 2.240 34.053 31.823 -0.016 0.000 0.990 1028 V HN 0.234 nan 8.190 nan 0.000 0.430 1029 V N 5.826 125.584 119.914 -0.260 0.000 2.326 1029 V HA 0.351 4.471 4.120 -0.000 0.000 0.281 1029 V C 0.026 176.088 176.094 -0.052 0.000 1.015 1029 V CA -0.621 61.554 62.300 -0.209 0.000 0.823 1029 V CB 1.696 33.272 31.823 -0.413 0.000 1.009 1029 V HN 0.618 nan 8.190 nan 0.000 0.436 1030 V N 4.418 124.339 119.914 0.011 0.000 2.530 1030 V HA 0.291 4.411 4.120 -0.000 0.000 0.282 1030 V C 0.257 176.366 176.094 0.024 0.000 1.048 1030 V CA -0.005 62.329 62.300 0.057 0.000 0.997 1030 V CB 1.035 32.904 31.823 0.076 0.000 0.987 1030 V HN 0.989 nan 8.190 nan 0.000 0.477 1031 C N 4.241 123.513 119.300 -0.046 0.000 2.779 1031 C HA 0.707 5.167 4.460 -0.000 0.000 0.314 1031 C C -0.026 174.732 174.990 -0.386 0.000 1.231 1031 C CA -0.801 58.042 59.018 -0.292 0.000 1.652 1031 C CB 1.887 29.244 27.740 -0.638 0.000 2.198 1031 C HN 0.590 nan 8.230 nan 0.000 0.483 1032 V N 2.544 122.216 119.914 -0.403 0.000 2.357 1032 V HA 0.462 4.582 4.120 -0.000 0.000 0.284 1032 V C -0.626 175.239 176.094 -0.381 0.000 1.018 1032 V CA -0.061 62.078 62.300 -0.270 0.000 0.841 1032 V CB 0.510 32.274 31.823 -0.099 0.000 0.991 1032 V HN 0.680 nan 8.190 nan 0.000 0.437 1033 F N 2.397 122.348 119.950 0.002 0.000 2.408 1033 F HA 0.480 5.007 4.527 -0.000 0.000 0.325 1033 F C 1.300 177.074 175.800 -0.042 0.000 1.082 1033 F CA -0.259 57.725 58.000 -0.028 0.000 1.032 1033 F CB 1.856 40.840 39.000 -0.026 0.000 1.259 1033 F HN 0.471 nan 8.300 nan 0.000 0.503 1034 S N -0.881 114.888 115.700 0.115 0.000 2.733 1034 S HA 0.298 4.768 4.470 -0.000 0.000 0.247 1034 S C 1.345 175.934 174.600 -0.018 0.000 1.043 1034 S CA 0.159 58.367 58.200 0.013 0.000 1.066 1034 S CB -0.017 63.146 63.200 -0.061 0.000 1.045 1034 S HN 1.306 nan 8.310 nan 0.000 0.586 1035 G N 2.585 111.378 108.800 -0.012 0.000 2.219 1035 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.271 1035 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.271 1035 G C 1.193 176.068 174.900 -0.042 0.000 0.991 1035 G CA 0.941 46.029 45.100 -0.021 0.000 0.685 1035 G HN 0.491 nan 8.290 nan 0.000 0.531 1036 R N -0.645 119.771 120.500 -0.140 0.000 2.103 1036 R HA 0.009 4.349 4.340 -0.000 0.000 0.234 1036 R C 1.406 177.687 176.300 -0.031 0.000 1.132 1036 R CA 2.176 58.185 56.100 -0.152 0.000 0.925 1036 R CB -0.367 29.696 30.300 -0.395 0.000 0.842 1036 R HN 0.822 nan 8.270 nan 0.000 0.430 1037 F N -2.533 117.438 119.950 0.035 0.000 2.923 1037 F HA 0.388 4.915 4.527 -0.000 0.000 0.323 1037 F C -0.649 175.164 175.800 0.022 0.000 1.189 1037 F CA -1.417 56.596 58.000 0.022 0.000 0.930 1037 F CB 0.573 39.582 39.000 0.015 0.000 1.414 1037 F HN -0.261 nan 8.300 nan 0.000 0.496 1038 E N 1.034 121.436 120.200 0.336 0.000 2.292 1038 E HA 0.113 4.463 4.350 -0.000 0.000 0.265 1038 E C -0.843 175.883 176.600 0.209 0.000 1.093 1038 E CA 0.688 57.192 56.400 0.175 0.000 0.922 1038 E CB -0.273 29.494 29.700 0.112 0.000 1.001 1038 E HN 0.662 nan 8.360 nan 0.000 0.444 1039 D N 2.017 122.488 120.400 0.118 0.000 3.099 1039 D HA -0.145 4.495 4.640 -0.000 0.000 0.213 1039 D C -0.566 175.793 176.300 0.099 0.000 1.121 1039 D CA 1.116 55.203 54.000 0.145 0.000 0.951 1039 D CB -1.522 39.338 40.800 0.100 0.000 1.102 1039 D HN 0.468 nan 8.370 nan 0.000 0.423 1040 S N -0.296 115.346 115.700 -0.096 0.000 2.579 1040 S HA 0.604 5.074 4.470 -0.000 0.000 0.275 1040 S C 1.049 175.599 174.600 -0.083 0.000 1.345 1040 S CA 0.398 58.429 58.200 -0.281 0.000 1.031 1040 S CB 2.248 64.907 63.200 -0.901 0.000 0.892 1040 S HN 0.984 nan 8.310 nan 0.000 0.529 1041 G N 0.149 108.898 108.800 -0.086 0.000 2.331 1041 G HA2 0.517 4.477 3.960 -0.000 0.000 0.479 1041 G HA3 0.517 4.477 3.960 -0.000 0.000 0.479 1041 G C -0.791 174.057 174.900 -0.086 0.000 1.262 1041 G CA -0.179 44.871 45.100 -0.083 0.000 1.029 1041 G HN 1.801 nan 8.290 nan 0.000 0.487 1042 A N -1.881 120.861 122.820 -0.130 0.000 2.602 1042 A HA 0.891 5.211 4.320 -0.000 0.000 0.290 1042 A C -0.643 176.880 177.584 -0.102 0.000 1.114 1042 A CA 0.100 52.087 52.037 -0.082 0.000 0.683 1042 A CB 1.420 20.396 19.000 -0.041 0.000 1.281 1042 A HN 1.971 nan 8.150 nan 0.000 0.416 1043 V N 1.188 121.080 119.914 -0.036 0.000 2.498 1043 V HA 0.473 4.593 4.120 -0.000 0.000 0.279 1043 V C 1.255 177.355 176.094 0.009 0.000 1.048 1043 V CA 0.640 62.934 62.300 -0.011 0.000 0.967 1043 V CB 0.883 32.723 31.823 0.027 0.000 0.988 1043 V HN 1.271 nan 8.190 nan 0.000 0.473 1044 A N 4.130 126.973 122.820 0.038 0.000 1.924 1044 A HA 0.379 4.699 4.320 -0.000 0.000 0.211 1044 A C 0.942 178.600 177.584 0.123 0.000 1.198 1044 A CA 0.835 52.946 52.037 0.123 0.000 0.657 1044 A CB 0.270 19.392 19.000 0.204 0.000 0.852 1044 A HN 0.735 nan 8.150 nan 0.000 0.454 1045 T N -2.123 112.490 114.554 0.098 0.000 2.749 1045 T HA 0.622 4.972 4.350 -0.000 0.000 0.310 1045 T C -1.517 173.182 174.700 -0.002 0.000 1.496 1045 T CA 0.157 62.269 62.100 0.019 0.000 1.006 1045 T CB 1.766 70.608 68.868 -0.043 0.000 1.457 1045 T HN 1.109 nan 8.240 nan 0.000 0.497 1046 A N 2.218 125.009 122.820 -0.048 0.000 2.540 1046 A HA 0.712 5.032 4.320 -0.000 0.000 0.297 1046 A C -0.461 177.052 177.584 -0.119 0.000 1.056 1046 A CA -0.994 51.000 52.037 -0.072 0.000 0.700 1046 A CB 1.002 19.956 19.000 -0.077 0.000 1.280 1046 A HN 0.871 nan 8.150 nan 0.000 0.398 1047 N N 0.767 119.409 118.700 -0.097 0.000 2.294 1047 N HA 0.179 4.919 4.740 -0.000 0.000 0.248 1047 N C 0.453 175.748 175.510 -0.358 0.000 1.300 1047 N CA 0.221 53.124 53.050 -0.244 0.000 0.925 1047 N CB -0.099 38.295 38.487 -0.156 0.000 1.188 1047 N HN 0.584 nan 8.380 nan 0.000 0.512 1048 Y N -1.164 118.887 120.300 -0.415 0.000 2.242 1048 Y HA -0.074 4.476 4.550 -0.000 0.000 0.291 1048 Y C 2.098 177.925 175.900 -0.121 0.000 1.137 1048 Y CA 1.293 59.248 58.100 -0.242 0.000 1.181 1048 Y CB -0.132 38.160 38.460 -0.280 0.000 0.989 1048 Y HN 0.558 nan 8.280 nan 0.000 0.527 1049 E N 0.183 120.398 120.200 0.024 0.000 2.097 1049 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 1049 E C 2.315 178.997 176.600 0.138 0.000 1.000 1049 E CA 1.529 57.974 56.400 0.074 0.000 0.804 1049 E CB -0.405 29.315 29.700 0.034 0.000 0.740 1049 E HN 0.457 nan 8.360 nan 0.000 0.454 1050 A N 0.471 123.318 122.820 0.045 0.000 1.897 1050 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 1050 A C 2.020 179.666 177.584 0.104 0.000 1.181 1050 A CA 1.272 53.340 52.037 0.051 0.000 0.620 1050 A CB -0.296 18.668 19.000 -0.059 0.000 0.821 1050 A HN 0.076 nan 8.150 nan 0.000 0.443 1051 R N 0.100 120.611 120.500 0.018 0.000 2.103 1051 R HA -0.150 4.190 4.340 -0.000 0.000 0.242 1051 R C 1.969 178.293 176.300 0.040 0.000 1.142 1051 R CA 1.629 57.731 56.100 0.003 0.000 0.960 1051 R CB -0.373 29.876 30.300 -0.084 0.000 0.858 1051 R HN 0.474 nan 8.270 nan 0.000 0.439 1052 K N -0.420 120.009 120.400 0.048 0.000 2.304 1052 K HA -0.186 4.134 4.320 -0.000 0.000 0.204 1052 K C 1.021 177.445 176.600 -0.294 0.000 1.044 1052 K CA 1.327 57.554 56.287 -0.100 0.000 0.932 1052 K CB -0.084 32.341 32.500 -0.124 0.000 0.735 1052 K HN 0.200 nan 8.250 nan 0.000 0.468 1053 F N -1.290 118.658 119.950 -0.003 0.000 2.682 1053 F HA 0.212 4.739 4.527 -0.000 0.000 0.308 1053 F C 1.207 177.010 175.800 0.005 0.000 1.093 1053 F CA 0.164 58.165 58.000 0.002 0.000 1.244 1053 F CB 1.608 40.610 39.000 0.003 0.000 1.052 1053 F HN 0.090 nan 8.300 nan 0.000 0.573 1054 G N 0.391 109.259 108.800 0.115 0.000 2.168 1054 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.197 1054 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.197 1054 G C -0.298 174.640 174.900 0.063 0.000 0.997 1054 G CA -0.229 44.912 45.100 0.068 0.000 0.658 1054 G HN 0.042 nan 8.290 nan 0.000 0.513 1055 V N 2.934 122.890 119.914 0.069 0.000 2.385 1055 V HA 0.628 4.748 4.120 -0.000 0.000 0.269 1055 V C 0.512 176.609 176.094 0.006 0.000 1.043 1055 V CA 0.412 62.740 62.300 0.047 0.000 0.906 1055 V CB 1.137 32.989 31.823 0.049 0.000 0.995 1055 V HN 0.610 nan 8.190 nan 0.000 0.467 1056 K N 3.747 124.149 120.400 0.004 0.000 2.509 1056 K HA 0.842 5.162 4.320 -0.000 0.000 0.266 1056 K C -0.413 176.182 176.600 -0.007 0.000 0.987 1056 K CA -0.849 55.426 56.287 -0.020 0.000 0.868 1056 K CB 2.146 34.633 32.500 -0.023 0.000 1.421 1056 K HN 0.569 nan 8.250 nan 0.000 0.444 1057 A N 0.184 122.994 122.820 -0.016 0.000 2.609 1057 A HA 0.321 4.641 4.320 -0.000 0.000 0.232 1057 A C 1.321 178.907 177.584 0.003 0.000 1.041 1057 A CA 1.653 53.689 52.037 -0.002 0.000 0.753 1057 A CB -1.257 17.738 19.000 -0.008 0.000 0.966 1057 A HN 1.559 nan 8.150 nan 0.000 0.510 1058 G N 0.807 109.612 108.800 0.008 0.000 2.258 1058 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.233 1058 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.233 1058 G C 0.401 175.307 174.900 0.009 0.000 1.006 1058 G CA 0.300 45.404 45.100 0.007 0.000 0.620 1058 G HN 2.033 nan 8.290 nan 0.000 0.511 1059 I N 0.119 120.697 120.570 0.014 0.000 2.581 1059 I HA 0.660 4.830 4.170 -0.000 0.000 0.288 1059 I C -2.296 173.832 176.117 0.019 0.000 1.047 1059 I CA -2.488 58.825 61.300 0.021 0.000 1.374 1059 I CB 0.964 38.982 38.000 0.031 0.000 1.423 1059 I HN -0.102 nan 8.210 nan 0.000 0.549 1060 P HA 0.249 nan 4.420 nan 0.000 0.271 1060 P C 0.662 177.976 177.300 0.024 0.000 1.216 1060 P CA -0.093 63.017 63.100 0.018 0.000 0.771 1060 P CB 0.782 32.500 31.700 0.031 0.000 0.864 1061 I N 2.458 123.030 120.570 0.004 0.000 2.300 1061 I HA -0.264 3.906 4.170 -0.000 0.000 0.252 1061 I C 1.880 177.996 176.117 -0.002 0.000 1.119 1061 I CA 1.494 62.793 61.300 -0.001 0.000 1.384 1061 I CB -0.306 37.670 38.000 -0.041 0.000 1.062 1061 I HN 0.201 nan 8.210 nan 0.000 0.426 1062 V N -0.127 119.801 119.914 0.024 0.000 2.719 1062 V HA -0.145 3.975 4.120 -0.000 0.000 0.252 1062 V C 2.391 178.506 176.094 0.035 0.000 1.065 1062 V CA 1.365 63.683 62.300 0.029 0.000 1.086 1062 V CB -0.487 31.374 31.823 0.062 0.000 0.700 1062 V HN 0.374 nan 8.190 nan 0.000 0.467 1063 E N 0.521 120.747 120.200 0.044 0.000 2.076 1063 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 1063 E C 2.432 179.071 176.600 0.066 0.000 0.979 1063 E CA 1.277 57.706 56.400 0.049 0.000 0.807 1063 E CB -0.309 29.417 29.700 0.044 0.000 0.761 1063 E HN 0.510 nan 8.360 nan 0.000 0.454 1064 A N 1.516 124.387 122.820 0.085 0.000 1.917 1064 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 1064 A C 2.116 179.792 177.584 0.153 0.000 1.182 1064 A CA 2.082 54.201 52.037 0.138 0.000 0.633 1064 A CB -0.401 18.726 19.000 0.213 0.000 0.819 1064 A HN 0.046 nan 8.150 nan 0.000 0.448 1065 K N 0.120 120.577 120.400 0.095 0.000 2.280 1065 K HA -0.118 4.202 4.320 -0.000 0.000 0.202 1065 K C 1.792 178.424 176.600 0.054 0.000 1.047 1065 K CA 1.687 58.006 56.287 0.053 0.000 0.942 1065 K CB -0.056 32.420 32.500 -0.039 0.000 0.739 1065 K HN 0.772 nan 8.250 nan 0.000 0.457 1066 K N -1.495 118.938 120.400 0.054 0.000 2.354 1066 K HA 0.107 4.427 4.320 -0.000 0.000 0.194 1066 K C 1.293 177.927 176.600 0.058 0.000 1.038 1066 K CA 0.286 56.601 56.287 0.046 0.000 1.052 1066 K CB 0.282 32.804 32.500 0.037 0.000 0.861 1066 K HN -0.077 nan 8.250 nan 0.000 0.535 1067 I N 0.925 121.540 120.570 0.075 0.000 2.867 1067 I HA 0.140 4.309 4.170 -0.000 0.000 0.265 1067 I C 0.652 176.821 176.117 0.086 0.000 1.162 1067 I CA 0.603 61.960 61.300 0.094 0.000 1.471 1067 I CB 0.680 38.742 38.000 0.103 0.000 1.123 1067 I HN 0.167 nan 8.210 nan 0.000 0.440 1068 L N 1.793 123.060 121.223 0.073 0.000 2.392 1068 L HA 0.241 4.581 4.340 -0.000 0.000 0.262 1068 L C -1.897 175.028 176.870 0.091 0.000 1.498 1068 L CA -0.703 54.143 54.840 0.010 0.000 0.820 1068 L CB 1.150 43.204 42.059 -0.009 0.000 0.990 1068 L HN -0.028 nan 8.230 nan 0.000 0.520 1069 P HA -0.153 nan 4.420 nan 0.000 0.218 1069 P C 0.472 177.846 177.300 0.123 0.000 1.149 1069 P CA 1.046 64.211 63.100 0.108 0.000 0.817 1069 P CB 0.043 31.770 31.700 0.045 0.000 0.785 1070 N N 0.126 118.838 118.700 0.020 0.000 3.178 1070 N HA 0.316 5.056 4.740 -0.000 0.000 0.300 1070 N C -0.666 174.814 175.510 -0.049 0.000 1.242 1070 N CA -0.315 52.727 53.050 -0.013 0.000 1.192 1070 N CB -0.209 38.237 38.487 -0.068 0.000 1.463 1070 N HN 0.050 nan 8.380 nan 0.000 0.539 1071 A N 0.967 123.785 122.820 -0.003 0.000 2.569 1071 A HA 0.496 4.816 4.320 -0.000 0.000 0.290 1071 A C -0.827 176.679 177.584 -0.131 0.000 1.136 1071 A CA -0.525 51.423 52.037 -0.148 0.000 0.710 1071 A CB 1.451 20.247 19.000 -0.339 0.000 1.303 1071 A HN 0.126 nan 8.150 nan 0.000 0.413 1072 V N 1.604 121.410 119.914 -0.180 0.000 2.334 1072 V HA 0.275 4.395 4.120 -0.000 0.000 0.267 1072 V C -1.113 174.905 176.094 -0.128 0.000 1.040 1072 V CA -0.052 62.206 62.300 -0.069 0.000 0.866 1072 V CB -0.662 31.147 31.823 -0.023 0.000 1.019 1072 V HN 0.634 nan 8.190 nan 0.000 0.468 1073 Y N 5.388 125.730 120.300 0.070 0.000 2.313 1073 Y HA 0.682 5.232 4.550 -0.000 0.000 0.332 1073 Y C 0.095 176.082 175.900 0.146 0.000 1.071 1073 Y CA -0.432 57.734 58.100 0.110 0.000 1.169 1073 Y CB 1.277 39.825 38.460 0.146 0.000 1.192 1073 Y HN 0.453 nan 8.280 nan 0.000 0.487 1074 L N 5.987 127.386 121.223 0.293 0.000 2.455 1074 L HA 0.474 4.814 4.340 -0.000 0.000 0.264 1074 L C -2.552 174.492 176.870 0.291 0.000 0.968 1074 L CA -2.293 52.695 54.840 0.246 0.000 0.827 1074 L CB 2.684 44.834 42.059 0.151 0.000 1.317 1074 L HN 0.415 nan 8.230 nan 0.000 0.407 1075 P HA 0.041 nan 4.420 nan 0.000 0.271 1075 P C -0.657 176.754 177.300 0.184 0.000 1.218 1075 P CA -0.383 62.941 63.100 0.372 0.000 0.780 1075 P CB 0.918 32.812 31.700 0.323 0.000 0.901 1076 M N 3.792 123.462 119.600 0.117 0.000 2.246 1076 M HA 0.046 4.526 4.480 -0.000 0.000 0.350 1076 M C 0.422 176.680 176.300 -0.069 0.000 1.406 1076 M CA 0.472 55.814 55.300 0.070 0.000 1.089 1076 M CB 0.041 32.634 32.600 -0.011 0.000 1.782 1076 M HN 0.227 nan 8.290 nan 0.000 0.457 1077 R N 3.916 124.208 120.500 -0.346 0.000 2.860 1077 R HA 0.155 4.495 4.340 -0.000 0.000 0.282 1077 R C 0.751 176.463 176.300 -0.980 0.000 1.408 1077 R CA -0.567 55.172 56.100 -0.602 0.000 1.636 1077 R CB 0.444 30.412 30.300 -0.554 0.000 1.187 1077 R HN 0.650 nan 8.270 nan 0.000 0.611 1078 K N 1.732 121.840 120.400 -0.486 0.000 2.160 1078 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 1078 K C 0.832 177.283 176.600 -0.249 0.000 1.047 1078 K CA 1.827 57.941 56.287 -0.290 0.000 0.930 1078 K CB 0.448 32.887 32.500 -0.102 0.000 0.720 1078 K HN 0.440 nan 8.250 nan 0.000 0.450 1079 E N -0.251 119.794 120.200 -0.257 0.000 2.072 1079 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 1079 E C 2.038 178.541 176.600 -0.161 0.000 0.985 1079 E CA 1.123 57.427 56.400 -0.160 0.000 0.801 1079 E CB -0.403 29.229 29.700 -0.114 0.000 0.750 1079 E HN -0.004 nan 8.360 nan 0.000 0.452 1080 V N 0.640 120.373 119.914 -0.301 0.000 2.379 1080 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 1080 V C 1.873 177.908 176.094 -0.098 0.000 1.044 1080 V CA 1.515 63.682 62.300 -0.222 0.000 1.036 1080 V CB -0.749 30.903 31.823 -0.286 0.000 0.664 1080 V HN 0.203 nan 8.190 nan 0.000 0.453 1081 Y N 0.695 120.961 120.300 -0.058 0.000 2.145 1081 Y HA -0.224 4.326 4.550 -0.000 0.000 0.286 1081 Y C 2.619 178.625 175.900 0.175 0.000 1.145 1081 Y CA 1.336 59.421 58.100 -0.024 0.000 1.148 1081 Y CB -1.238 37.226 38.460 0.006 0.000 0.981 1081 Y HN 0.274 nan 8.280 nan 0.000 0.507 1082 Q N 0.605 120.557 119.800 0.254 0.000 2.291 1082 Q HA -0.186 4.154 4.340 -0.000 0.000 0.206 1082 Q C 2.102 178.189 176.000 0.146 0.000 0.976 1082 Q CA 1.483 57.411 55.803 0.209 0.000 0.875 1082 Q CB -0.225 28.579 28.738 0.110 0.000 0.927 1082 Q HN 0.613 nan 8.270 nan 0.000 0.450 1083 Q N -1.469 118.391 119.800 0.099 0.000 2.137 1083 Q HA -0.038 4.302 4.340 -0.000 0.000 0.198 1083 Q C 1.713 177.771 176.000 0.097 0.000 0.960 1083 Q CA 1.244 57.088 55.803 0.068 0.000 0.847 1083 Q CB 0.275 29.028 28.738 0.026 0.000 0.915 1083 Q HN 0.333 nan 8.270 nan 0.000 0.448 1084 V N -0.329 119.673 119.914 0.147 0.000 2.407 1084 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 1084 V C 2.209 178.428 176.094 0.209 0.000 1.041 1084 V CA 1.691 64.088 62.300 0.162 0.000 1.040 1084 V CB -0.429 31.488 31.823 0.157 0.000 0.671 1084 V HN 0.369 nan 8.190 nan 0.000 0.455 1085 S N -0.188 115.725 115.700 0.355 0.000 2.353 1085 S HA -0.229 4.241 4.470 -0.000 0.000 0.222 1085 S C 2.296 176.979 174.600 0.139 0.000 1.035 1085 S CA 2.187 60.542 58.200 0.259 0.000 1.025 1085 S CB -0.372 63.043 63.200 0.358 0.000 0.902 1085 S HN 0.581 nan 8.310 nan 0.000 0.440 1086 S N 1.650 117.425 115.700 0.126 0.000 2.369 1086 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 1086 S C 1.963 176.596 174.600 0.055 0.000 1.043 1086 S CA 1.610 59.858 58.200 0.080 0.000 1.074 1086 S CB -0.509 62.730 63.200 0.065 0.000 0.962 1086 S HN 0.564 nan 8.310 nan 0.000 0.433 1087 R N 0.325 120.851 120.500 0.044 0.000 2.117 1087 R HA -0.095 4.245 4.340 -0.000 0.000 0.243 1087 R C 2.168 178.471 176.300 0.006 0.000 1.143 1087 R CA 1.482 57.596 56.100 0.022 0.000 0.968 1087 R CB -0.605 29.704 30.300 0.015 0.000 0.863 1087 R HN 0.433 nan 8.270 nan 0.000 0.444 1088 I N 0.269 120.827 120.570 -0.020 0.000 2.353 1088 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 1088 I C 2.287 178.421 176.117 0.028 0.000 1.119 1088 I CA 0.864 62.123 61.300 -0.069 0.000 1.417 1088 I CB -0.097 37.711 38.000 -0.321 0.000 1.078 1088 I HN 0.085 nan 8.210 nan 0.000 0.421 1089 M N 0.023 119.665 119.600 0.069 0.000 2.099 1089 M HA -0.165 4.315 4.480 -0.000 0.000 0.262 1089 M C 2.042 178.379 176.300 0.063 0.000 1.067 1089 M CA 1.608 56.955 55.300 0.078 0.000 1.124 1089 M CB -1.641 31.004 32.600 0.075 0.000 1.353 1089 M HN 0.273 nan 8.290 nan 0.000 0.410 1090 N N 0.818 119.548 118.700 0.049 0.000 2.094 1090 N HA -0.137 4.603 4.740 -0.000 0.000 0.191 1090 N C 1.981 177.520 175.510 0.050 0.000 1.023 1090 N CA 1.270 54.345 53.050 0.042 0.000 0.857 1090 N CB -0.333 38.172 38.487 0.031 0.000 1.013 1090 N HN 0.335 nan 8.380 nan 0.000 0.426 1091 L N 1.111 122.366 121.223 0.052 0.000 2.012 1091 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 1091 L C 2.376 179.336 176.870 0.150 0.000 1.073 1091 L CA 1.015 55.903 54.840 0.080 0.000 0.748 1091 L CB -0.408 41.687 42.059 0.060 0.000 0.891 1091 L HN 0.138 nan 8.230 nan 0.000 0.431 1092 L N -0.904 120.399 121.223 0.133 0.000 2.131 1092 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 1092 L C 2.655 179.638 176.870 0.188 0.000 1.092 1092 L CA 1.039 55.982 54.840 0.171 0.000 0.759 1092 L CB -0.541 41.571 42.059 0.089 0.000 0.903 1092 L HN 0.227 nan 8.230 nan 0.000 0.435 1093 R N -0.058 120.512 120.500 0.117 0.000 2.241 1093 R HA -0.133 4.207 4.340 -0.000 0.000 0.224 1093 R C 1.913 178.254 176.300 0.068 0.000 1.101 1093 R CA 0.723 56.875 56.100 0.086 0.000 0.995 1093 R CB -0.214 30.120 30.300 0.055 0.000 0.870 1093 R HN 0.409 nan 8.270 nan 0.000 0.463 1094 E N 0.001 120.234 120.200 0.055 0.000 2.152 1094 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 1094 E C 1.539 178.064 176.600 -0.126 0.000 0.983 1094 E CA 1.225 57.584 56.400 -0.069 0.000 0.818 1094 E CB -0.228 29.371 29.700 -0.169 0.000 0.758 1094 E HN 0.479 nan 8.360 nan 0.000 0.467 1095 Y N 0.295 120.605 120.300 0.015 0.000 2.365 1095 Y HA 0.112 4.662 4.550 -0.000 0.000 0.293 1095 Y C 1.133 177.048 175.900 0.025 0.000 1.119 1095 Y CA 0.646 58.757 58.100 0.019 0.000 1.203 1095 Y CB 0.640 39.110 38.460 0.017 0.000 1.026 1095 Y HN -0.186 nan 8.280 nan 0.000 0.549 1096 S N -1.118 114.685 115.700 0.172 0.000 2.548 1096 S HA 0.293 4.763 4.470 -0.000 0.000 0.278 1096 S C -0.484 174.168 174.600 0.087 0.000 1.150 1096 S CA -0.662 57.606 58.200 0.114 0.000 0.907 1096 S CB 0.976 64.248 63.200 0.120 0.000 1.108 1096 S HN 0.126 nan 8.310 nan 0.000 0.459 1097 E N 1.956 122.194 120.200 0.064 0.000 2.474 1097 E HA 0.219 4.569 4.350 -0.000 0.000 0.195 1097 E C -0.223 176.409 176.600 0.054 0.000 1.039 1097 E CA 0.271 56.702 56.400 0.052 0.000 0.881 1097 E CB 0.207 29.928 29.700 0.036 0.000 0.970 1097 E HN 0.413 nan 8.360 nan 0.000 0.486 1098 K N 1.300 121.737 120.400 0.063 0.000 2.333 1098 K HA 0.293 4.613 4.320 -0.000 0.000 0.241 1098 K C -0.625 176.026 176.600 0.085 0.000 1.193 1098 K CA -0.181 56.145 56.287 0.065 0.000 1.142 1098 K CB 0.172 32.710 32.500 0.064 0.000 1.731 1098 K HN 0.101 nan 8.250 nan 0.000 0.344 1099 I N 0.599 121.219 120.570 0.083 0.000 2.382 1099 I HA 0.142 4.312 4.170 -0.000 0.000 0.286 1099 I C -0.580 175.599 176.117 0.103 0.000 1.002 1099 I CA -0.501 60.860 61.300 0.101 0.000 1.135 1099 I CB 0.994 39.046 38.000 0.086 0.000 1.288 1099 I HN 0.328 nan 8.210 nan 0.000 0.448 1100 E N 8.501 128.791 120.200 0.151 0.000 1.936 1100 E HA 0.257 4.607 4.350 -0.000 0.000 0.267 1100 E C -0.699 176.012 176.600 0.185 0.000 1.076 1100 E CA -0.656 55.833 56.400 0.149 0.000 0.870 1100 E CB 0.536 30.311 29.700 0.125 0.000 1.093 1100 E HN 0.649 nan 8.360 nan 0.000 0.411 1101 I N 4.332 124.964 120.570 0.104 0.000 2.576 1101 I HA -0.046 4.124 4.170 -0.000 0.000 0.288 1101 I C 1.120 177.285 176.117 0.080 0.000 1.126 1101 I CA 0.143 61.483 61.300 0.066 0.000 1.362 1101 I CB 0.962 38.986 38.000 0.039 0.000 1.419 1101 I HN 0.598 nan 8.210 nan 0.000 0.533 1102 A N 4.698 127.580 122.820 0.103 0.000 2.044 1102 A HA 0.203 4.523 4.320 -0.000 0.000 0.213 1102 A C 0.983 178.601 177.584 0.058 0.000 1.169 1102 A CA 0.982 53.100 52.037 0.135 0.000 0.724 1102 A CB 0.091 19.280 19.000 0.315 0.000 0.840 1102 A HN 0.703 nan 8.150 nan 0.000 0.463 1103 S N -2.641 113.053 115.700 -0.009 0.000 2.724 1103 S HA 0.387 4.857 4.470 -0.000 0.000 0.278 1103 S C 0.595 175.153 174.600 -0.069 0.000 1.190 1103 S CA 0.136 58.321 58.200 -0.026 0.000 0.860 1103 S CB -0.247 62.936 63.200 -0.027 0.000 1.206 1103 S HN 0.249 nan 8.310 nan 0.000 0.507 1104 I N 1.192 121.746 120.570 -0.026 0.000 2.454 1104 I HA -0.076 4.094 4.170 -0.000 0.000 0.254 1104 I C 0.464 176.480 176.117 -0.168 0.000 1.156 1104 I CA 2.071 63.386 61.300 0.024 0.000 1.433 1104 I CB -0.150 37.973 38.000 0.205 0.000 1.082 1104 I HN 0.805 nan 8.210 nan 0.000 0.432 1105 D N -0.568 119.585 120.400 -0.412 0.000 2.804 1105 D HA 0.255 4.895 4.640 -0.000 0.000 0.308 1105 D C -0.272 175.285 176.300 -1.238 0.000 1.371 1105 D CA -0.247 53.158 54.000 -0.992 0.000 0.823 1105 D CB 0.047 40.461 40.800 -0.643 0.000 1.126 1105 D HN 0.231 nan 8.370 nan 0.000 0.467 1106 E N -0.622 119.014 120.200 -0.939 0.000 2.372 1106 E HA 0.728 5.078 4.350 -0.000 0.000 0.279 1106 E C -1.652 174.641 176.600 -0.512 0.000 0.946 1106 E CA -1.083 54.871 56.400 -0.743 0.000 0.769 1106 E CB 2.346 31.873 29.700 -0.287 0.000 1.230 1106 E HN 0.228 nan 8.360 nan 0.000 0.442 1107 A N 1.767 124.249 122.820 -0.562 0.000 2.601 1107 A HA 0.695 5.015 4.320 -0.000 0.000 0.291 1107 A C -2.230 175.193 177.584 -0.268 0.000 1.075 1107 A CA -0.606 51.295 52.037 -0.225 0.000 0.671 1107 A CB 0.944 19.866 19.000 -0.131 0.000 1.277 1107 A HN 0.494 nan 8.150 nan 0.000 0.417 1108 Y N -0.470 119.871 120.300 0.068 0.000 2.425 1108 Y HA 0.687 5.237 4.550 -0.000 0.000 0.344 1108 Y C -0.622 175.328 175.900 0.083 0.000 0.969 1108 Y CA -0.762 57.419 58.100 0.135 0.000 1.052 1108 Y CB 2.148 40.707 38.460 0.165 0.000 1.215 1108 Y HN 0.516 nan 8.280 nan 0.000 0.451 1109 L N 3.317 124.679 121.223 0.232 0.000 2.362 1109 L HA 0.330 4.670 4.340 -0.000 0.000 0.275 1109 L C -0.600 176.366 176.870 0.160 0.000 0.998 1109 L CA -0.789 54.146 54.840 0.158 0.000 0.820 1109 L CB 1.712 43.832 42.059 0.101 0.000 1.270 1109 L HN 0.614 nan 8.230 nan 0.000 0.415 1110 D N 4.398 124.876 120.400 0.129 0.000 2.411 1110 D HA 0.241 4.881 4.640 -0.000 0.000 0.225 1110 D C 0.596 176.951 176.300 0.092 0.000 1.156 1110 D CA -0.099 53.965 54.000 0.107 0.000 0.874 1110 D CB 0.831 41.681 40.800 0.084 0.000 1.034 1110 D HN 0.582 nan 8.370 nan 0.000 0.502 1111 I N 0.651 121.277 120.570 0.094 0.000 3.877 1111 I HA 0.127 4.297 4.170 -0.000 0.000 0.332 1111 I C 1.048 177.201 176.117 0.060 0.000 1.525 1111 I CA -0.489 60.861 61.300 0.084 0.000 1.146 1111 I CB 0.453 38.510 38.000 0.096 0.000 1.137 1111 I HN -0.046 nan 8.210 nan 0.000 0.424 1112 S N 1.407 117.136 115.700 0.049 0.000 2.383 1112 S HA -0.125 4.345 4.470 -0.000 0.000 0.227 1112 S C 1.367 175.979 174.600 0.021 0.000 1.026 1112 S CA 1.458 59.673 58.200 0.024 0.000 0.981 1112 S CB -0.306 62.906 63.200 0.021 0.000 0.818 1112 S HN 0.584 nan 8.310 nan 0.000 0.472 1113 D N 1.061 121.479 120.400 0.030 0.000 2.348 1113 D HA 0.020 4.660 4.640 -0.000 0.000 0.216 1113 D C 1.150 177.468 176.300 0.030 0.000 0.970 1113 D CA 0.868 54.884 54.000 0.026 0.000 0.889 1113 D CB 0.065 40.882 40.800 0.029 0.000 0.912 1113 D HN 0.348 nan 8.370 nan 0.000 0.524 1114 K N -0.304 120.120 120.400 0.041 0.000 2.412 1114 K HA 0.122 4.442 4.320 -0.000 0.000 0.202 1114 K C 0.171 176.802 176.600 0.052 0.000 1.102 1114 K CA 0.034 56.351 56.287 0.050 0.000 1.027 1114 K CB 1.858 34.400 32.500 0.071 0.000 0.931 1114 K HN -0.020 nan 8.250 nan 0.000 0.557 1115 V N -2.546 117.394 119.914 0.043 0.000 2.971 1115 V HA 0.444 4.564 4.120 -0.000 0.000 0.309 1115 V C 0.346 176.449 176.094 0.015 0.000 1.130 1115 V CA -1.069 61.256 62.300 0.041 0.000 0.964 1115 V CB 2.335 34.196 31.823 0.062 0.000 1.029 1115 V HN -0.075 nan 8.190 nan 0.000 0.427 1116 R N 1.329 121.836 120.500 0.012 0.000 2.127 1116 R HA 0.205 4.545 4.340 -0.000 0.000 0.217 1116 R C 0.333 176.610 176.300 -0.038 0.000 1.074 1116 R CA 1.425 57.519 56.100 -0.009 0.000 0.991 1116 R CB 0.138 30.439 30.300 0.001 0.000 0.895 1116 R HN 1.033 nan 8.270 nan 0.000 0.450 1117 D N -2.818 117.565 120.400 -0.029 0.000 2.838 1117 D HA -0.018 4.622 4.640 -0.000 0.000 0.334 1117 D C 0.187 176.485 176.300 -0.003 0.000 1.315 1117 D CA -0.624 53.330 54.000 -0.077 0.000 0.917 1117 D CB 0.157 40.932 40.800 -0.042 0.000 1.435 1117 D HN -0.256 nan 8.370 nan 0.000 0.517 1118 Y N 0.483 120.814 120.300 0.051 0.000 2.200 1118 Y HA -0.056 4.494 4.550 -0.000 0.000 0.290 1118 Y C 2.702 178.661 175.900 0.099 0.000 1.137 1118 Y CA 1.432 59.577 58.100 0.076 0.000 1.163 1118 Y CB -0.503 37.995 38.460 0.063 0.000 0.988 1118 Y HN 0.379 nan 8.280 nan 0.000 0.518 1119 R N 1.293 121.922 120.500 0.215 0.000 2.103 1119 R HA -0.207 4.133 4.340 -0.000 0.000 0.242 1119 R C 1.659 178.047 176.300 0.148 0.000 1.142 1119 R CA 2.017 58.194 56.100 0.128 0.000 0.960 1119 R CB -0.367 29.967 30.300 0.057 0.000 0.858 1119 R HN 0.457 nan 8.270 nan 0.000 0.439 1120 E N 0.073 120.347 120.200 0.124 0.000 2.047 1120 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 1120 E C 2.004 178.689 176.600 0.143 0.000 0.987 1120 E CA 1.235 57.702 56.400 0.112 0.000 0.799 1120 E CB -0.178 29.567 29.700 0.075 0.000 0.752 1120 E HN 0.497 nan 8.360 nan 0.000 0.449 1121 A N 0.706 123.626 122.820 0.168 0.000 1.978 1121 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 1121 A C 1.981 179.671 177.584 0.177 0.000 1.170 1121 A CA 1.300 53.442 52.037 0.174 0.000 0.636 1121 A CB -0.746 18.392 19.000 0.229 0.000 0.810 1121 A HN 0.398 nan 8.150 nan 0.000 0.448 1122 Y N 0.702 121.058 120.300 0.092 0.000 2.314 1122 Y HA -0.158 4.392 4.550 -0.000 0.000 0.293 1122 Y C 2.401 178.323 175.900 0.037 0.000 1.129 1122 Y CA 1.659 59.793 58.100 0.057 0.000 1.201 1122 Y CB -0.122 38.370 38.460 0.053 0.000 0.999 1122 Y HN 0.489 nan 8.280 nan 0.000 0.541 1123 N N 0.419 119.270 118.700 0.251 0.000 2.106 1123 N HA -0.215 4.525 4.740 -0.000 0.000 0.188 1123 N C 1.998 177.548 175.510 0.066 0.000 1.029 1123 N CA 1.429 54.574 53.050 0.158 0.000 0.848 1123 N CB -0.335 38.235 38.487 0.138 0.000 1.007 1123 N HN 0.466 nan 8.380 nan 0.000 0.423 1124 L N 1.376 122.638 121.223 0.065 0.000 2.081 1124 L HA -0.067 4.273 4.340 -0.000 0.000 0.212 1124 L C 2.334 179.152 176.870 -0.086 0.000 1.080 1124 L CA 2.050 56.910 54.840 0.032 0.000 0.754 1124 L CB -0.970 41.129 42.059 0.066 0.000 0.893 1124 L HN 0.237 nan 8.230 nan 0.000 0.433 1125 G N -0.417 108.315 108.800 -0.113 0.000 2.459 1125 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 1125 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 1125 G C 1.562 176.346 174.900 -0.194 0.000 1.183 1125 G CA 1.185 46.167 45.100 -0.195 0.000 0.776 1125 G HN 0.428 nan 8.290 nan 0.000 0.552 1126 L N -0.012 121.111 121.223 -0.168 0.000 2.131 1126 L HA -0.046 4.294 4.340 -0.000 0.000 0.210 1126 L C 2.702 179.534 176.870 -0.064 0.000 1.092 1126 L CA 1.115 55.892 54.840 -0.106 0.000 0.759 1126 L CB -0.316 41.713 42.059 -0.050 0.000 0.903 1126 L HN 0.285 nan 8.230 nan 0.000 0.435 1127 E N -0.095 120.078 120.200 -0.046 0.000 2.418 1127 E HA -0.114 4.236 4.350 -0.000 0.000 0.197 1127 E C 1.959 178.538 176.600 -0.035 0.000 1.026 1127 E CA 0.582 56.987 56.400 0.007 0.000 0.862 1127 E CB 0.212 29.964 29.700 0.087 0.000 0.799 1127 E HN 0.533 nan 8.360 nan 0.000 0.518 1128 I N -0.647 119.809 120.570 -0.190 0.000 3.445 1128 I HA -0.065 4.105 4.170 -0.000 0.000 0.288 1128 I C 1.906 177.929 176.117 -0.157 0.000 1.198 1128 I CA 0.032 61.158 61.300 -0.291 0.000 1.417 1128 I CB 0.082 37.751 38.000 -0.553 0.000 1.205 1128 I HN -0.106 nan 8.210 nan 0.000 0.448 1129 K N 1.315 121.633 120.400 -0.136 0.000 2.001 1129 K HA -0.203 4.117 4.320 -0.000 0.000 0.214 1129 K C 1.867 178.431 176.600 -0.061 0.000 1.050 1129 K CA 1.975 58.206 56.287 -0.094 0.000 0.934 1129 K CB -0.282 32.165 32.500 -0.089 0.000 0.718 1129 K HN 0.243 nan 8.250 nan 0.000 0.443 1130 N N 1.181 119.855 118.700 -0.042 0.000 2.007 1130 N HA -0.213 4.527 4.740 -0.000 0.000 0.197 1130 N C 1.685 177.191 175.510 -0.007 0.000 1.050 1130 N CA 1.395 54.435 53.050 -0.016 0.000 0.856 1130 N CB -0.475 38.012 38.487 0.000 0.000 1.050 1130 N HN 0.077 nan 8.380 nan 0.000 0.423 1131 K N 1.038 121.444 120.400 0.010 0.000 2.173 1131 K HA -0.025 4.295 4.320 -0.000 0.000 0.207 1131 K C 1.900 178.503 176.600 0.005 0.000 1.046 1131 K CA 0.984 57.291 56.287 0.033 0.000 0.929 1131 K CB -0.350 32.213 32.500 0.104 0.000 0.720 1131 K HN 0.237 nan 8.250 nan 0.000 0.453 1132 I N -0.185 120.368 120.570 -0.028 0.000 2.286 1132 I HA -0.191 3.979 4.170 -0.000 0.000 0.245 1132 I C 2.075 178.157 176.117 -0.058 0.000 1.104 1132 I CA 0.522 61.784 61.300 -0.063 0.000 1.397 1132 I CB -0.179 37.751 38.000 -0.116 0.000 1.072 1132 I HN 0.172 nan 8.210 nan 0.000 0.417 1133 L N 0.843 122.040 121.223 -0.044 0.000 2.046 1133 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 1133 L C 2.305 179.164 176.870 -0.017 0.000 1.077 1133 L CA 1.919 56.741 54.840 -0.030 0.000 0.747 1133 L CB -0.451 41.596 42.059 -0.019 0.000 0.896 1133 L HN 0.061 nan 8.230 nan 0.000 0.432 1134 E N -0.386 119.808 120.200 -0.010 0.000 2.150 1134 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 1134 E C 1.979 178.576 176.600 -0.004 0.000 0.985 1134 E CA 0.995 57.393 56.400 -0.002 0.000 0.814 1134 E CB 0.019 29.723 29.700 0.006 0.000 0.752 1134 E HN 0.258 nan 8.360 nan 0.000 0.466 1135 K N -0.334 120.061 120.400 -0.008 0.000 2.348 1135 K HA 0.103 4.423 4.320 -0.000 0.000 0.194 1135 K C 0.628 177.217 176.600 -0.018 0.000 1.052 1135 K CA 0.474 56.756 56.287 -0.008 0.000 1.004 1135 K CB 0.832 33.331 32.500 -0.002 0.000 0.873 1135 K HN 0.017 nan 8.250 nan 0.000 0.523 1136 E N 0.027 120.209 120.200 -0.031 0.000 2.676 1136 E HA 0.095 4.445 4.350 -0.000 0.000 0.225 1136 E C -0.444 176.135 176.600 -0.036 0.000 0.944 1136 E CA -0.005 56.373 56.400 -0.037 0.000 1.156 1136 E CB 0.817 30.480 29.700 -0.063 0.000 1.117 1136 E HN 0.115 nan 8.360 nan 0.000 0.523 1137 K N 0.757 121.139 120.400 -0.030 0.000 3.130 1137 K HA -0.180 4.140 4.320 -0.000 0.000 0.282 1137 K C 0.009 176.590 176.600 -0.032 0.000 1.145 1137 K CA 0.619 56.892 56.287 -0.023 0.000 0.831 1137 K CB -1.036 31.456 32.500 -0.013 0.000 1.226 1137 K HN 0.058 nan 8.250 nan 0.000 0.478 1138 I N 1.799 122.337 120.570 -0.054 0.000 2.359 1138 I HA 0.099 4.268 4.170 -0.000 0.000 0.294 1138 I C 1.129 177.205 176.117 -0.067 0.000 0.987 1138 I CA -0.352 60.906 61.300 -0.071 0.000 1.225 1138 I CB 1.319 39.252 38.000 -0.112 0.000 1.366 1138 I HN 0.140 nan 8.210 nan 0.000 0.466 1139 T N 4.896 119.426 114.554 -0.041 0.000 2.806 1139 T HA 0.669 5.019 4.350 -0.000 0.000 0.290 1139 T C -0.012 174.689 174.700 0.001 0.000 0.966 1139 T CA -0.588 61.505 62.100 -0.012 0.000 1.060 1139 T CB 1.325 70.215 68.868 0.037 0.000 0.927 1139 T HN 0.419 nan 8.240 nan 0.000 0.485 1140 V N 0.731 120.642 119.914 -0.004 0.000 3.096 1140 V HA 0.899 5.019 4.120 -0.000 0.000 0.319 1140 V C -0.211 175.881 176.094 -0.004 0.000 1.103 1140 V CA -0.883 61.431 62.300 0.023 0.000 1.016 1140 V CB 1.705 33.540 31.823 0.020 0.000 1.090 1140 V HN 1.016 nan 8.190 nan 0.000 0.449 1141 T N 1.387 115.926 114.554 -0.025 0.000 2.824 1141 T HA 0.676 5.026 4.350 -0.000 0.000 0.282 1141 T C -0.707 173.939 174.700 -0.090 0.000 0.993 1141 T CA -0.363 61.714 62.100 -0.038 0.000 0.967 1141 T CB 1.512 70.383 68.868 0.006 0.000 0.960 1141 T HN 0.729 nan 8.240 nan 0.000 0.441 1142 V N 2.634 122.500 119.914 -0.079 0.000 2.407 1142 V HA 0.696 4.816 4.120 -0.000 0.000 0.291 1142 V C 0.608 176.690 176.094 -0.020 0.000 1.018 1142 V CA -0.754 61.494 62.300 -0.088 0.000 0.842 1142 V CB 1.563 33.302 31.823 -0.140 0.000 0.996 1142 V HN 1.050 nan 8.190 nan 0.000 0.426 1143 G N 5.044 113.893 108.800 0.082 0.000 2.356 1143 G HA2 0.773 4.733 3.960 -0.000 0.000 0.322 1143 G HA3 0.773 4.733 3.960 -0.000 0.000 0.322 1143 G C -0.871 174.091 174.900 0.104 0.000 1.125 1143 G CA -0.472 44.690 45.100 0.102 0.000 0.885 1143 G HN 0.620 nan 8.290 nan 0.000 0.467 1144 I N 1.363 121.975 120.570 0.069 0.000 2.499 1144 I HA 0.537 4.707 4.170 -0.000 0.000 0.288 1144 I C 0.109 176.262 176.117 0.060 0.000 1.048 1144 I CA -0.463 60.895 61.300 0.097 0.000 1.062 1144 I CB 2.133 40.192 38.000 0.099 0.000 1.238 1144 I HN 0.578 nan 8.210 nan 0.000 0.426 1145 S N 3.488 119.287 115.700 0.166 0.000 3.287 1145 S HA 0.419 4.889 4.470 -0.000 0.000 0.324 1145 S C 0.073 174.874 174.600 0.335 0.000 1.205 1145 S CA -0.416 57.883 58.200 0.165 0.000 1.020 1145 S CB 1.282 64.596 63.200 0.190 0.000 1.398 1145 S HN 0.782 nan 8.310 nan 0.000 0.679 1146 K N 0.177 120.744 120.400 0.278 0.000 2.380 1146 K HA 0.329 4.649 4.320 -0.000 0.000 0.198 1146 K C 0.009 176.738 176.600 0.215 0.000 1.070 1146 K CA -0.061 56.374 56.287 0.247 0.000 1.040 1146 K CB -0.136 32.484 32.500 0.202 0.000 0.903 1146 K HN 0.435 nan 8.250 nan 0.000 0.549 1147 N N -0.321 118.538 118.700 0.265 0.000 2.509 1147 N HA 0.215 4.955 4.740 -0.000 0.000 0.280 1147 N C -0.130 175.544 175.510 0.274 0.000 1.306 1147 N CA -1.100 52.126 53.050 0.293 0.000 0.782 1147 N CB 1.324 40.071 38.487 0.434 0.000 1.493 1147 N HN -0.214 nan 8.380 nan 0.000 0.498 1148 K N -0.480 120.063 120.400 0.239 0.000 2.103 1148 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 1148 K C 1.290 177.981 176.600 0.152 0.000 1.048 1148 K CA 1.449 57.824 56.287 0.146 0.000 0.930 1148 K CB -0.369 31.980 32.500 -0.251 0.000 0.716 1148 K HN 0.345 nan 8.250 nan 0.000 0.444 1149 V N 0.501 120.429 119.914 0.023 0.000 2.323 1149 V HA -0.189 3.931 4.120 -0.000 0.000 0.244 1149 V C 1.879 177.812 176.094 -0.267 0.000 1.041 1149 V CA 1.597 63.773 62.300 -0.207 0.000 1.025 1149 V CB -0.436 31.093 31.823 -0.491 0.000 0.656 1149 V HN 0.158 nan 8.190 nan 0.000 0.451 1150 F N 0.534 120.439 119.950 -0.074 0.000 2.365 1150 F HA -0.017 4.510 4.527 -0.000 0.000 0.300 1150 F C 2.302 178.079 175.800 -0.038 0.000 1.090 1150 F CA 0.978 58.943 58.000 -0.058 0.000 1.408 1150 F CB -0.639 38.342 39.000 -0.031 0.000 1.060 1150 F HN 0.088 nan 8.300 nan 0.000 0.534 1151 A N -0.011 122.889 122.820 0.133 0.000 1.902 1151 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 1151 A C 2.230 179.756 177.584 -0.097 0.000 1.181 1151 A CA 1.878 53.970 52.037 0.093 0.000 0.623 1151 A CB -0.625 18.498 19.000 0.206 0.000 0.818 1151 A HN 0.331 nan 8.150 nan 0.000 0.443 1152 K N -0.303 119.858 120.400 -0.398 0.000 2.002 1152 K HA -0.080 4.240 4.320 -0.000 0.000 0.209 1152 K C 1.800 178.231 176.600 -0.281 0.000 1.048 1152 K CA 1.627 57.476 56.287 -0.729 0.000 0.930 1152 K CB -0.389 31.642 32.500 -0.782 0.000 0.714 1152 K HN 0.427 nan 8.250 nan 0.000 0.438 1153 I N 1.206 121.636 120.570 -0.233 0.000 2.145 1153 I HA -0.362 3.808 4.170 -0.000 0.000 0.244 1153 I C 2.423 178.513 176.117 -0.045 0.000 1.075 1153 I CA 1.541 62.750 61.300 -0.151 0.000 1.332 1153 I CB -0.408 37.452 38.000 -0.233 0.000 1.033 1153 I HN 0.333 nan 8.210 nan 0.000 0.410 1154 A N 0.424 123.244 122.820 -0.000 0.000 1.940 1154 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 1154 A C 2.504 180.113 177.584 0.041 0.000 1.176 1154 A CA 2.086 54.145 52.037 0.036 0.000 0.631 1154 A CB -0.879 18.153 19.000 0.053 0.000 0.814 1154 A HN 0.477 nan 8.150 nan 0.000 0.446 1155 A N -0.180 122.683 122.820 0.071 0.000 1.897 1155 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 1155 A C 1.751 179.380 177.584 0.075 0.000 1.181 1155 A CA 1.764 53.869 52.037 0.113 0.000 0.620 1155 A CB -0.576 18.601 19.000 0.294 0.000 0.821 1155 A HN 0.426 nan 8.150 nan 0.000 0.443 1156 D N -0.229 120.200 120.400 0.050 0.000 2.149 1156 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 1156 D C 1.959 178.271 176.300 0.019 0.000 0.990 1156 D CA 1.447 55.467 54.000 0.032 0.000 0.839 1156 D CB -0.330 40.467 40.800 -0.004 0.000 0.948 1156 D HN 0.507 nan 8.370 nan 0.000 0.460 1157 M N -0.160 119.446 119.600 0.011 0.000 2.200 1157 M HA -0.023 4.457 4.480 -0.000 0.000 0.265 1157 M C 1.993 178.294 176.300 0.002 0.000 1.066 1157 M CA 1.208 56.512 55.300 0.005 0.000 1.127 1157 M CB 0.044 32.649 32.600 0.008 0.000 1.379 1157 M HN -0.039 nan 8.290 nan 0.000 0.420 1158 A N -0.395 122.430 122.820 0.008 0.000 2.218 1158 A HA 0.014 4.334 4.320 -0.000 0.000 0.209 1158 A C 1.755 179.330 177.584 -0.014 0.000 1.168 1158 A CA 0.291 52.327 52.037 -0.002 0.000 0.804 1158 A CB -0.322 18.680 19.000 0.004 0.000 0.834 1158 A HN 0.333 nan 8.150 nan 0.000 0.482 1159 K N 0.076 120.478 120.400 0.003 0.000 1.989 1159 K HA -0.207 4.113 4.320 -0.000 0.000 0.230 1159 K C -1.719 174.870 176.600 -0.017 0.000 0.947 1159 K CA 1.893 58.194 56.287 0.024 0.000 1.009 1159 K CB -1.710 30.834 32.500 0.073 0.000 0.725 1159 K HN 0.279 nan 8.250 nan 0.000 0.511 1160 P HA 0.036 nan 4.420 nan 0.000 0.270 1160 P C -0.885 176.370 177.300 -0.076 0.000 1.242 1160 P CA 0.276 63.258 63.100 -0.196 0.000 0.768 1160 P CB 0.382 31.770 31.700 -0.520 0.000 0.820 1161 N N 2.088 120.789 118.700 0.002 0.000 2.671 1161 N HA -0.158 4.582 4.740 -0.000 0.000 0.261 1161 N C -0.136 175.361 175.510 -0.021 0.000 1.053 1161 N CA 1.328 54.379 53.050 0.002 0.000 0.732 1161 N CB -1.046 37.445 38.487 0.007 0.000 0.887 1161 N HN 0.608 nan 8.380 nan 0.000 0.546 1162 G N 0.043 108.828 108.800 -0.025 0.000 2.816 1162 G HA2 0.840 4.800 3.960 -0.000 0.000 0.288 1162 G HA3 0.840 4.800 3.960 -0.000 0.000 0.288 1162 G C -0.915 173.951 174.900 -0.056 0.000 1.334 1162 G CA -0.563 44.518 45.100 -0.031 0.000 0.978 1162 G HN 0.496 nan 8.290 nan 0.000 0.493 1163 I N -0.525 120.009 120.570 -0.061 0.000 2.702 1163 I HA 0.556 4.726 4.170 -0.000 0.000 0.287 1163 I C -1.592 174.493 176.117 -0.054 0.000 1.342 1163 I CA -0.672 60.548 61.300 -0.133 0.000 1.063 1163 I CB 1.823 39.634 38.000 -0.316 0.000 1.331 1163 I HN 0.495 nan 8.210 nan 0.000 0.427 1164 K N 5.831 126.215 120.400 -0.026 0.000 2.469 1164 K HA 0.745 5.065 4.320 -0.000 0.000 0.254 1164 K C -1.796 174.836 176.600 0.053 0.000 0.939 1164 K CA -0.698 55.623 56.287 0.056 0.000 0.812 1164 K CB 2.604 35.127 32.500 0.038 0.000 1.301 1164 K HN 0.386 nan 8.250 nan 0.000 0.433 1165 V N 4.738 124.695 119.914 0.072 0.000 2.435 1165 V HA 0.446 4.566 4.120 -0.000 0.000 0.290 1165 V C -0.212 175.805 176.094 -0.128 0.000 1.030 1165 V CA -0.717 61.540 62.300 -0.071 0.000 0.881 1165 V CB 1.424 33.175 31.823 -0.119 0.000 0.983 1165 V HN 0.635 nan 8.190 nan 0.000 0.445 1166 I N 5.561 126.025 120.570 -0.176 0.000 2.359 1166 I HA 0.323 4.493 4.170 -0.000 0.000 0.284 1166 I C -0.038 175.920 176.117 -0.265 0.000 1.018 1166 I CA -0.517 60.700 61.300 -0.140 0.000 1.173 1166 I CB 1.188 39.195 38.000 0.012 0.000 1.326 1166 I HN 0.720 nan 8.210 nan 0.000 0.462 1167 D N 4.382 124.627 120.400 -0.258 0.000 2.451 1167 D HA 0.085 4.725 4.640 -0.000 0.000 0.259 1167 D C 0.345 176.601 176.300 -0.073 0.000 1.201 1167 D CA -0.456 53.441 54.000 -0.172 0.000 1.028 1167 D CB 1.073 41.820 40.800 -0.089 0.000 1.095 1167 D HN 0.297 nan 8.370 nan 0.000 0.539 1168 D N -0.306 120.104 120.400 0.017 0.000 2.158 1168 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 1168 D C 1.658 177.918 176.300 -0.067 0.000 0.995 1168 D CA 1.251 55.235 54.000 -0.028 0.000 0.846 1168 D CB 0.070 40.878 40.800 0.014 0.000 0.941 1168 D HN 0.424 nan 8.370 nan 0.000 0.456 1169 E N 0.459 120.631 120.200 -0.046 0.000 2.112 1169 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 1169 E C 1.931 178.494 176.600 -0.061 0.000 0.979 1169 E CA 0.369 56.741 56.400 -0.046 0.000 0.814 1169 E CB -0.156 29.527 29.700 -0.027 0.000 0.762 1169 E HN 0.472 nan 8.360 nan 0.000 0.460 1170 E N 0.792 120.950 120.200 -0.071 0.000 2.285 1170 E HA -0.071 4.279 4.350 -0.000 0.000 0.194 1170 E C 2.052 178.590 176.600 -0.105 0.000 0.997 1170 E CA 0.173 56.535 56.400 -0.064 0.000 0.845 1170 E CB 0.357 30.029 29.700 -0.048 0.000 0.782 1170 E HN -0.047 nan 8.360 nan 0.000 0.491 1171 V N 1.723 121.508 119.914 -0.215 0.000 2.287 1171 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 1171 V C 2.312 178.236 176.094 -0.283 0.000 1.053 1171 V CA 1.668 63.689 62.300 -0.466 0.000 1.027 1171 V CB -0.352 31.111 31.823 -0.600 0.000 0.646 1171 V HN 0.190 nan 8.190 nan 0.000 0.447 1172 K N 0.268 120.569 120.400 -0.164 0.000 2.148 1172 K HA -0.155 4.165 4.320 -0.000 0.000 0.204 1172 K C 2.219 178.793 176.600 -0.044 0.000 1.050 1172 K CA 1.638 57.871 56.287 -0.089 0.000 0.942 1172 K CB -0.349 32.113 32.500 -0.064 0.000 0.724 1172 K HN 0.663 nan 8.250 nan 0.000 0.446 1173 R N 0.423 120.902 120.500 -0.035 0.000 2.112 1173 R HA 0.107 4.447 4.340 -0.000 0.000 0.216 1173 R C 2.172 178.481 176.300 0.014 0.000 1.080 1173 R CA 0.456 56.550 56.100 -0.010 0.000 0.996 1173 R CB -0.544 29.749 30.300 -0.012 0.000 0.902 1173 R HN -0.026 nan 8.270 nan 0.000 0.449 1174 L N 0.986 122.231 121.223 0.037 0.000 2.265 1174 L HA -0.098 4.242 4.340 -0.000 0.000 0.215 1174 L C 2.294 179.232 176.870 0.113 0.000 1.117 1174 L CA 1.204 56.102 54.840 0.096 0.000 0.782 1174 L CB -0.309 41.871 42.059 0.201 0.000 0.914 1174 L HN 0.310 nan 8.230 nan 0.000 0.441 1175 I N -0.548 120.084 120.570 0.103 0.000 2.252 1175 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 1175 I C 2.626 178.766 176.117 0.039 0.000 1.102 1175 I CA 1.304 62.658 61.300 0.090 0.000 1.385 1175 I CB -0.173 37.867 38.000 0.067 0.000 1.064 1175 I HN 0.192 nan 8.210 nan 0.000 0.414 1176 R N 0.287 120.801 120.500 0.024 0.000 2.127 1176 R HA -0.021 4.319 4.340 -0.000 0.000 0.217 1176 R C 1.388 177.693 176.300 0.008 0.000 1.074 1176 R CA 0.832 56.939 56.100 0.011 0.000 0.991 1176 R CB 0.050 30.353 30.300 0.005 0.000 0.895 1176 R HN 0.392 nan 8.270 nan 0.000 0.450 1177 E N 0.264 120.472 120.200 0.013 0.000 2.501 1177 E HA 0.060 4.410 4.350 -0.000 0.000 0.201 1177 E C -0.575 176.029 176.600 0.006 0.000 1.016 1177 E CA -0.203 56.202 56.400 0.008 0.000 0.920 1177 E CB 0.650 30.355 29.700 0.008 0.000 1.023 1177 E HN 0.003 nan 8.360 nan 0.000 0.474 1178 L N 1.340 122.567 121.223 0.007 0.000 2.307 1178 L HA 0.348 4.688 4.340 -0.000 0.000 0.284 1178 L C -0.662 176.193 176.870 -0.025 0.000 1.023 1178 L CA -0.553 54.282 54.840 -0.008 0.000 0.810 1178 L CB 1.356 43.410 42.059 -0.009 0.000 1.231 1178 L HN -0.257 nan 8.230 nan 0.000 0.423 1179 D N 3.160 123.542 120.400 -0.029 0.000 2.423 1179 D HA 0.103 4.743 4.640 -0.000 0.000 0.238 1179 D C 1.423 177.694 176.300 -0.049 0.000 1.142 1179 D CA 0.524 54.504 54.000 -0.033 0.000 0.884 1179 D CB 0.952 41.735 40.800 -0.028 0.000 1.199 1179 D HN 0.560 nan 8.370 nan 0.000 0.438 1180 I N 1.841 122.384 120.570 -0.045 0.000 2.286 1180 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 1180 I C 2.158 178.244 176.117 -0.052 0.000 1.115 1180 I CA 0.953 62.221 61.300 -0.055 0.000 1.392 1180 I CB -0.097 37.878 38.000 -0.042 0.000 1.065 1180 I HN 0.500 nan 8.210 nan 0.000 0.418 1181 A N -0.254 122.542 122.820 -0.039 0.000 2.076 1181 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 1181 A C 1.579 179.139 177.584 -0.040 0.000 1.160 1181 A CA 1.720 53.738 52.037 -0.032 0.000 0.653 1181 A CB -0.399 18.586 19.000 -0.024 0.000 0.801 1181 A HN 0.366 nan 8.150 nan 0.000 0.455 1182 D N -0.598 119.770 120.400 -0.053 0.000 2.342 1182 D HA 0.191 4.831 4.640 -0.000 0.000 0.221 1182 D C -0.221 176.018 176.300 -0.102 0.000 1.101 1182 D CA 0.167 54.128 54.000 -0.065 0.000 0.837 1182 D CB 0.412 41.177 40.800 -0.059 0.000 0.938 1182 D HN 0.148 nan 8.370 nan 0.000 0.508 1183 V N 2.545 122.396 119.914 -0.106 0.000 2.432 1183 V HA 0.201 4.321 4.120 -0.000 0.000 0.275 1183 V C -2.087 173.960 176.094 -0.079 0.000 1.043 1183 V CA -1.714 60.499 62.300 -0.145 0.000 0.925 1183 V CB 1.309 33.029 31.823 -0.172 0.000 0.985 1183 V HN -0.122 nan 8.190 nan 0.000 0.466 1184 P HA 0.218 nan 4.420 nan 0.000 0.264 1184 P C 0.983 178.316 177.300 0.054 0.000 1.193 1184 P CA 1.337 64.411 63.100 -0.044 0.000 0.763 1184 P CB 0.591 32.231 31.700 -0.100 0.000 0.810 1185 G N 2.842 111.650 108.800 0.014 0.000 2.217 1185 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.246 1185 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.246 1185 G C 0.020 174.939 174.900 0.032 0.000 0.990 1185 G CA -0.468 44.631 45.100 -0.001 0.000 0.627 1185 G HN 0.479 nan 8.290 nan 0.000 0.522 1186 I N 2.279 122.877 120.570 0.047 0.000 2.354 1186 I HA 0.567 4.737 4.170 -0.000 0.000 0.286 1186 I C 1.149 177.267 176.117 0.003 0.000 1.007 1186 I CA -0.178 61.141 61.300 0.032 0.000 1.167 1186 I CB 0.536 38.556 38.000 0.033 0.000 1.320 1186 I HN 0.159 nan 8.210 nan 0.000 0.458 1187 G N 4.692 113.491 108.800 -0.001 0.000 2.531 1187 G HA2 0.224 4.184 3.960 -0.000 0.000 0.281 1187 G HA3 0.224 4.184 3.960 -0.000 0.000 0.281 1187 G C 0.552 175.447 174.900 -0.009 0.000 1.382 1187 G CA -0.388 44.708 45.100 -0.007 0.000 1.045 1187 G HN 0.610 nan 8.290 nan 0.000 0.533 1188 N N -0.880 117.814 118.700 -0.009 0.000 2.216 1188 N HA -0.066 4.674 4.740 -0.000 0.000 0.183 1188 N C 2.209 177.714 175.510 -0.009 0.000 1.017 1188 N CA 0.280 53.325 53.050 -0.009 0.000 0.861 1188 N CB 0.022 38.504 38.487 -0.007 0.000 0.986 1188 N HN 0.263 nan 8.380 nan 0.000 0.428 1189 I N 1.046 121.612 120.570 -0.008 0.000 2.127 1189 I HA -0.262 3.908 4.170 -0.000 0.000 0.241 1189 I C 2.004 178.115 176.117 -0.010 0.000 1.075 1189 I CA 1.615 62.910 61.300 -0.009 0.000 1.334 1189 I CB -1.353 36.642 38.000 -0.009 0.000 1.040 1189 I HN 0.199 nan 8.210 nan 0.000 0.405 1190 T N 1.146 115.694 114.554 -0.009 0.000 2.746 1190 T HA -0.087 4.263 4.350 -0.000 0.000 0.267 1190 T C 1.997 176.690 174.700 -0.012 0.000 1.039 1190 T CA 1.470 63.565 62.100 -0.009 0.000 1.142 1190 T CB -0.261 68.605 68.868 -0.003 0.000 0.866 1190 T HN 0.463 nan 8.240 nan 0.000 0.444 1191 A N 1.295 124.107 122.820 -0.012 0.000 1.940 1191 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 1191 A C 2.229 179.804 177.584 -0.015 0.000 1.176 1191 A CA 1.603 53.631 52.037 -0.015 0.000 0.631 1191 A CB -0.396 18.594 19.000 -0.016 0.000 0.814 1191 A HN 0.346 nan 8.150 nan 0.000 0.446 1192 E N 0.021 120.214 120.200 -0.013 0.000 2.112 1192 E HA -0.030 4.320 4.350 -0.000 0.000 0.190 1192 E C 1.924 178.517 176.600 -0.012 0.000 0.979 1192 E CA 1.126 57.519 56.400 -0.012 0.000 0.814 1192 E CB -0.232 29.463 29.700 -0.010 0.000 0.762 1192 E HN 0.661 nan 8.360 nan 0.000 0.460 1193 K N 0.267 120.659 120.400 -0.013 0.000 2.113 1193 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 1193 K C 1.959 178.550 176.600 -0.016 0.000 1.047 1193 K CA 1.118 57.396 56.287 -0.015 0.000 0.928 1193 K CB -0.202 32.288 32.500 -0.017 0.000 0.716 1193 K HN 0.114 nan 8.250 nan 0.000 0.446 1194 L N 0.614 121.827 121.223 -0.017 0.000 2.240 1194 L HA -0.058 4.281 4.340 -0.000 0.000 0.211 1194 L C 2.317 179.177 176.870 -0.016 0.000 1.106 1194 L CA 0.790 55.620 54.840 -0.018 0.000 0.793 1194 L CB -0.177 41.870 42.059 -0.020 0.000 0.927 1194 L HN 0.084 nan 8.230 nan 0.000 0.446 1195 K N 0.217 120.609 120.400 -0.014 0.000 2.209 1195 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 1195 K C 1.963 178.557 176.600 -0.011 0.000 1.048 1195 K CA 0.841 57.121 56.287 -0.013 0.000 0.940 1195 K CB 0.195 32.688 32.500 -0.012 0.000 0.729 1195 K HN 0.208 nan 8.250 nan 0.000 0.451 1196 K N 0.293 120.687 120.400 -0.011 0.000 2.155 1196 K HA -0.079 4.241 4.320 -0.000 0.000 0.203 1196 K C 1.661 178.255 176.600 -0.010 0.000 1.052 1196 K CA 0.934 57.215 56.287 -0.010 0.000 0.948 1196 K CB 0.108 32.602 32.500 -0.011 0.000 0.728 1196 K HN 0.191 nan 8.250 nan 0.000 0.448 1197 L N -0.768 120.448 121.223 -0.011 0.000 2.640 1197 L HA 0.274 4.614 4.340 -0.000 0.000 0.230 1197 L C 1.080 177.944 176.870 -0.010 0.000 1.123 1197 L CA 0.246 55.080 54.840 -0.011 0.000 0.900 1197 L CB 0.298 42.349 42.059 -0.013 0.000 1.146 1197 L HN 0.264 nan 8.230 nan 0.000 0.484 1198 G N 0.937 109.732 108.800 -0.010 0.000 2.157 1198 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.239 1198 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.239 1198 G C 0.239 175.133 174.900 -0.010 0.000 0.982 1198 G CA -0.203 44.892 45.100 -0.009 0.000 0.650 1198 G HN 0.307 nan 8.290 nan 0.000 0.527 1199 I N 1.926 122.489 120.570 -0.012 0.000 2.227 1199 I HA 0.180 4.350 4.170 -0.000 0.000 0.297 1199 I C 1.138 177.245 176.117 -0.015 0.000 1.173 1199 I CA -0.613 60.679 61.300 -0.013 0.000 1.356 1199 I CB 0.099 38.090 38.000 -0.016 0.000 1.485 1199 I HN 0.037 nan 8.210 nan 0.000 0.604 1200 N N 4.071 122.763 118.700 -0.014 0.000 2.305 1200 N HA 0.084 4.824 4.740 -0.000 0.000 0.179 1200 N C 0.467 175.966 175.510 -0.019 0.000 1.019 1200 N CA 0.838 53.879 53.050 -0.015 0.000 0.869 1200 N CB 0.369 38.848 38.487 -0.012 0.000 1.000 1200 N HN 0.470 nan 8.380 nan 0.000 0.431 1201 K N 0.493 120.883 120.400 -0.017 0.000 2.340 1201 K HA 0.282 4.602 4.320 -0.000 0.000 0.244 1201 K C 0.947 177.534 176.600 -0.022 0.000 0.973 1201 K CA -0.600 55.676 56.287 -0.019 0.000 0.828 1201 K CB 2.532 35.024 32.500 -0.012 0.000 1.226 1201 K HN -0.151 nan 8.250 nan 0.000 0.437 1202 L N 1.434 122.640 121.223 -0.028 0.000 2.021 1202 L HA -0.237 4.103 4.340 -0.000 0.000 0.215 1202 L C 2.145 179.004 176.870 -0.019 0.000 1.074 1202 L CA 1.645 56.463 54.840 -0.037 0.000 0.760 1202 L CB -0.164 41.871 42.059 -0.040 0.000 0.889 1202 L HN 0.469 nan 8.230 nan 0.000 0.433 1203 V N 0.130 120.040 119.914 -0.006 0.000 2.720 1203 V HA -0.282 3.838 4.120 -0.000 0.000 0.256 1203 V C 1.744 177.839 176.094 0.001 0.000 1.082 1203 V CA 2.099 64.400 62.300 0.002 0.000 1.101 1203 V CB -0.515 31.311 31.823 0.005 0.000 0.693 1203 V HN 0.538 nan 8.190 nan 0.000 0.479 1204 D N -0.188 120.210 120.400 -0.003 0.000 2.310 1204 D HA -0.108 4.532 4.640 -0.000 0.000 0.212 1204 D C 2.204 178.505 176.300 0.001 0.000 0.965 1204 D CA 1.514 55.513 54.000 -0.002 0.000 0.879 1204 D CB -0.287 40.509 40.800 -0.006 0.000 0.921 1204 D HN 0.699 nan 8.370 nan 0.000 0.510 1205 T N -1.131 113.423 114.554 0.000 0.000 2.962 1205 T HA -0.059 4.291 4.350 -0.000 0.000 0.270 1205 T C 1.903 176.621 174.700 0.029 0.000 1.088 1205 T CA 0.445 62.550 62.100 0.008 0.000 1.127 1205 T CB -0.342 68.526 68.868 0.002 0.000 0.883 1205 T HN 0.170 nan 8.240 nan 0.000 0.493 1206 L N 0.873 122.112 121.223 0.027 0.000 2.612 1206 L HA 0.283 4.623 4.340 -0.000 0.000 0.230 1206 L C 1.673 178.561 176.870 0.030 0.000 1.140 1206 L CA 0.038 54.899 54.840 0.035 0.000 0.896 1206 L CB -0.060 42.015 42.059 0.027 0.000 1.065 1206 L HN 0.238 nan 8.230 nan 0.000 0.447 1207 S N -0.230 115.484 115.700 0.023 0.000 2.559 1207 S HA 0.306 4.776 4.470 -0.000 0.000 0.226 1207 S C 0.301 174.913 174.600 0.019 0.000 1.000 1207 S CA -0.266 57.945 58.200 0.018 0.000 0.948 1207 S CB 0.471 63.677 63.200 0.010 0.000 0.870 1207 S HN 0.282 nan 8.310 nan 0.000 0.497 1208 I N 1.295 121.880 120.570 0.026 0.000 2.509 1208 I HA 0.392 4.562 4.170 -0.000 0.000 0.293 1208 I C -0.644 175.499 176.117 0.044 0.000 1.020 1208 I CA -0.700 60.614 61.300 0.022 0.000 1.088 1208 I CB 1.734 39.736 38.000 0.005 0.000 1.267 1208 I HN -0.103 nan 8.210 nan 0.000 0.430 1209 E N 4.664 124.889 120.200 0.042 0.000 2.452 1209 E HA -0.077 4.273 4.350 -0.000 0.000 0.261 1209 E C 0.155 176.809 176.600 0.091 0.000 0.987 1209 E CA 0.371 56.814 56.400 0.072 0.000 0.926 1209 E CB 0.753 30.484 29.700 0.052 0.000 0.934 1209 E HN 0.624 nan 8.360 nan 0.000 0.452 1210 F N 3.546 123.499 119.950 0.005 0.000 2.161 1210 F HA -0.235 4.292 4.527 -0.000 0.000 0.300 1210 F C 1.330 177.135 175.800 0.008 0.000 1.089 1210 F CA 2.007 60.011 58.000 0.008 0.000 1.282 1210 F CB 0.134 39.140 39.000 0.009 0.000 1.010 1210 F HN 0.512 nan 8.300 nan 0.000 0.485 1211 D N -0.273 120.152 120.400 0.042 0.000 2.149 1211 D HA -0.122 4.518 4.640 -0.000 0.000 0.201 1211 D C 2.163 178.409 176.300 -0.090 0.000 0.972 1211 D CA 0.887 54.867 54.000 -0.034 0.000 0.835 1211 D CB -0.183 40.645 40.800 0.047 0.000 0.966 1211 D HN 0.129 nan 8.370 nan 0.000 0.476 1212 K N 0.341 120.706 120.400 -0.058 0.000 2.057 1212 K HA -0.062 4.258 4.320 -0.000 0.000 0.207 1212 K C 2.015 178.557 176.600 -0.096 0.000 1.049 1212 K CA 0.385 56.638 56.287 -0.058 0.000 0.931 1212 K CB -0.626 31.857 32.500 -0.028 0.000 0.714 1212 K HN 0.179 nan 8.250 nan 0.000 0.440 1213 L N 2.083 123.223 121.223 -0.139 0.000 2.109 1213 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 1213 L C 2.332 179.057 176.870 -0.241 0.000 1.086 1213 L CA 1.681 56.420 54.840 -0.168 0.000 0.760 1213 L CB -0.397 41.563 42.059 -0.165 0.000 0.910 1213 L HN 0.076 nan 8.230 nan 0.000 0.437 1214 K N -0.341 119.833 120.400 -0.377 0.000 2.063 1214 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 1214 K C 1.326 177.821 176.600 -0.175 0.000 1.048 1214 K CA 1.405 57.478 56.287 -0.356 0.000 0.928 1214 K CB -0.541 31.707 32.500 -0.420 0.000 0.713 1214 K HN 0.462 nan 8.250 nan 0.000 0.442 1215 G N 0.870 109.592 108.800 -0.131 0.000 3.474 1215 G HA2 0.117 4.077 3.960 -0.000 0.000 0.269 1215 G HA3 0.117 4.077 3.960 -0.000 0.000 0.269 1215 G C 0.589 175.450 174.900 -0.065 0.000 1.339 1215 G CA -0.140 44.913 45.100 -0.078 0.000 1.258 1215 G HN 0.334 nan 8.290 nan 0.000 0.560 1216 M N -0.342 119.214 119.600 -0.074 0.000 1.793 1216 M HA 0.308 4.788 4.480 -0.000 0.000 0.222 1216 M C 1.350 177.620 176.300 -0.050 0.000 1.202 1216 M CA 0.721 55.989 55.300 -0.055 0.000 0.959 1216 M CB 0.201 32.770 32.600 -0.051 0.000 1.726 1216 M HN 0.196 nan 8.290 nan 0.000 0.618 1217 I N -2.154 118.379 120.570 -0.061 0.000 4.403 1217 I HA 0.748 4.918 4.170 -0.000 0.000 0.331 1217 I C 0.688 176.779 176.117 -0.042 0.000 1.327 1217 I CA 0.273 61.547 61.300 -0.044 0.000 1.175 1217 I CB 0.803 38.784 38.000 -0.033 0.000 1.165 1217 I HN 0.357 nan 8.210 nan 0.000 0.413 1218 G N 1.977 110.739 108.800 -0.065 0.000 2.640 1218 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 1218 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 1218 G C -0.164 174.695 174.900 -0.068 0.000 1.229 1218 G CA 0.004 45.072 45.100 -0.053 0.000 0.796 1218 G HN 0.304 nan 8.290 nan 0.000 0.654 1219 E N 0.099 120.271 120.200 -0.046 0.000 2.204 1219 E HA 0.042 4.392 4.350 -0.000 0.000 0.194 1219 E C 2.689 179.340 176.600 0.085 0.000 0.989 1219 E CA 1.860 58.256 56.400 -0.007 0.000 0.824 1219 E CB -0.069 29.668 29.700 0.062 0.000 0.756 1219 E HN 0.849 nan 8.360 nan 0.000 0.477 1220 A N 1.000 123.857 122.820 0.062 0.000 1.872 1220 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 1220 A C 1.949 179.606 177.584 0.122 0.000 1.187 1220 A CA 1.209 53.295 52.037 0.081 0.000 0.614 1220 A CB -0.178 18.839 19.000 0.029 0.000 0.826 1220 A HN 0.048 nan 8.150 nan 0.000 0.442 1221 K N -0.174 120.283 120.400 0.095 0.000 2.026 1221 K HA -0.056 4.264 4.320 -0.000 0.000 0.208 1221 K C 2.353 179.054 176.600 0.169 0.000 1.048 1221 K CA 1.115 57.500 56.287 0.163 0.000 0.929 1221 K CB -0.356 32.198 32.500 0.091 0.000 0.713 1221 K HN 0.414 nan 8.250 nan 0.000 0.439 1222 A N 2.087 124.947 122.820 0.068 0.000 1.892 1222 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 1222 A C 1.933 179.649 177.584 0.219 0.000 1.188 1222 A CA 1.764 53.822 52.037 0.036 0.000 0.631 1222 A CB -0.412 18.449 19.000 -0.232 0.000 0.822 1222 A HN 0.208 nan 8.150 nan 0.000 0.447 1223 K N -1.900 118.690 120.400 0.317 0.000 2.103 1223 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 1223 K C 2.006 178.772 176.600 0.277 0.000 1.048 1223 K CA 1.785 58.276 56.287 0.340 0.000 0.930 1223 K CB -0.380 32.289 32.500 0.281 0.000 0.716 1223 K HN 0.672 nan 8.250 nan 0.000 0.444 1224 Y N 1.646 122.025 120.300 0.133 0.000 2.184 1224 Y HA -0.122 4.428 4.550 -0.000 0.000 0.290 1224 Y C 1.827 177.782 175.900 0.091 0.000 1.129 1224 Y CA 1.182 59.360 58.100 0.130 0.000 1.144 1224 Y CB -0.375 38.140 38.460 0.091 0.000 0.995 1224 Y HN -0.108 nan 8.280 nan 0.000 0.513 1225 L N -0.421 120.734 121.223 -0.114 0.000 2.093 1225 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 1225 L C 2.445 179.265 176.870 -0.084 0.000 1.085 1225 L CA 1.284 55.994 54.840 -0.216 0.000 0.755 1225 L CB -0.489 41.508 42.059 -0.104 0.000 0.904 1225 L HN 0.237 nan 8.230 nan 0.000 0.435 1226 I N -1.128 119.463 120.570 0.034 0.000 2.252 1226 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 1226 I C 2.832 178.986 176.117 0.061 0.000 1.102 1226 I CA 1.254 62.598 61.300 0.073 0.000 1.385 1226 I CB -0.255 37.843 38.000 0.164 0.000 1.064 1226 I HN 0.202 nan 8.210 nan 0.000 0.414 1227 S N 0.997 116.749 115.700 0.087 0.000 2.359 1227 S HA -0.186 4.284 4.470 -0.000 0.000 0.224 1227 S C 2.094 176.758 174.600 0.107 0.000 1.035 1227 S CA 1.479 59.748 58.200 0.116 0.000 1.018 1227 S CB -0.348 62.974 63.200 0.203 0.000 0.876 1227 S HN 0.320 nan 8.310 nan 0.000 0.448 1228 L N 0.943 122.182 121.223 0.027 0.000 2.046 1228 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 1228 L C 2.836 179.736 176.870 0.050 0.000 1.077 1228 L CA 1.346 56.181 54.840 -0.007 0.000 0.747 1228 L CB -0.640 41.263 42.059 -0.259 0.000 0.896 1228 L HN 0.438 nan 8.230 nan 0.000 0.432 1229 A N -0.539 122.290 122.820 0.014 0.000 2.172 1229 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 1229 A C 2.215 179.819 177.584 0.033 0.000 1.154 1229 A CA 1.096 53.149 52.037 0.027 0.000 0.701 1229 A CB -0.375 18.632 19.000 0.010 0.000 0.789 1229 A HN 0.371 nan 8.150 nan 0.000 0.465 1230 R N -1.498 119.028 120.500 0.043 0.000 2.335 1230 R HA 0.098 4.438 4.340 -0.000 0.000 0.210 1230 R C -0.281 176.043 176.300 0.040 0.000 0.892 1230 R CA 0.314 56.436 56.100 0.036 0.000 1.048 1230 R CB 0.339 30.660 30.300 0.035 0.000 1.067 1230 R HN 0.376 nan 8.270 nan 0.000 0.524 1231 D N 0.453 120.890 120.400 0.063 0.000 2.981 1231 D HA -0.154 4.486 4.640 -0.000 0.000 0.223 1231 D C 0.187 176.537 176.300 0.084 0.000 1.151 1231 D CA 0.651 54.692 54.000 0.068 0.000 0.827 1231 D CB -0.299 40.510 40.800 0.015 0.000 1.101 1231 D HN 0.313 nan 8.370 nan 0.000 0.426 1232 E N -0.611 119.650 120.200 0.101 0.000 2.447 1232 E HA -0.040 4.310 4.350 -0.000 0.000 0.195 1232 E C 0.570 177.232 176.600 0.104 0.000 1.028 1232 E CA -0.084 56.363 56.400 0.079 0.000 0.876 1232 E CB 0.188 29.920 29.700 0.054 0.000 0.885 1232 E HN 0.506 nan 8.360 nan 0.000 0.500 1233 Y N 2.180 122.511 120.300 0.052 0.000 2.569 1233 Y HA 0.030 4.580 4.550 -0.000 0.000 0.332 1233 Y C 0.182 176.123 175.900 0.069 0.000 1.120 1233 Y CA 0.375 58.519 58.100 0.073 0.000 1.416 1233 Y CB 0.203 38.721 38.460 0.096 0.000 1.210 1233 Y HN -0.193 nan 8.280 nan 0.000 0.528 1234 N N 4.130 122.644 118.700 -0.309 0.000 2.679 1234 N HA 0.049 4.789 4.740 -0.000 0.000 0.240 1234 N C -1.956 173.394 175.510 -0.268 0.000 1.537 1234 N CA -0.349 52.600 53.050 -0.168 0.000 0.793 1234 N CB 0.179 38.641 38.487 -0.042 0.000 1.391 1234 N HN 0.490 nan 8.380 nan 0.000 0.524 1235 E N 0.829 120.755 120.200 -0.456 0.000 2.283 1235 E HA 0.447 4.797 4.350 -0.000 0.000 0.278 1235 E C -2.111 174.410 176.600 -0.132 0.000 1.027 1235 E CA -1.663 54.558 56.400 -0.298 0.000 0.843 1235 E CB 0.609 30.090 29.700 -0.366 0.000 1.062 1235 E HN 0.384 nan 8.360 nan 0.000 0.401 1236 P HA 0.333 nan 4.420 nan 0.000 0.281 1236 P C -0.344 176.929 177.300 -0.045 0.000 1.264 1236 P CA -0.729 62.344 63.100 -0.046 0.000 0.824 1236 P CB 0.583 32.262 31.700 -0.035 0.000 1.092 1237 I N 1.982 122.542 120.570 -0.015 0.000 2.396 1237 I HA 0.239 4.409 4.170 -0.000 0.000 0.289 1237 I C 0.736 176.855 176.117 0.004 0.000 1.056 1237 I CA 0.324 61.620 61.300 -0.006 0.000 1.365 1237 I CB -0.198 37.832 38.000 0.050 0.000 1.407 1237 I HN 0.336 nan 8.210 nan 0.000 0.509 1238 R N 2.916 123.414 120.500 -0.004 0.000 2.744 1238 R HA 0.624 4.964 4.340 -0.000 0.000 0.279 1238 R C -0.810 175.500 176.300 0.017 0.000 0.977 1238 R CA -0.881 55.221 56.100 0.003 0.000 0.906 1238 R CB -0.283 30.010 30.300 -0.012 0.000 1.197 1238 R HN 0.346 nan 8.270 nan 0.000 0.463 1239 T N 2.983 117.550 114.554 0.022 0.000 2.829 1239 T HA 0.136 4.486 4.350 -0.000 0.000 0.293 1239 T C 0.054 174.769 174.700 0.024 0.000 0.970 1239 T CA -0.120 61.996 62.100 0.027 0.000 1.168 1239 T CB 0.016 68.898 68.868 0.025 0.000 0.911 1239 T HN 0.206 nan 8.240 nan 0.000 0.535 1240 R N 2.478 122.996 120.500 0.030 0.000 2.347 1240 R HA 0.349 4.689 4.340 -0.000 0.000 0.304 1240 R C -0.661 175.657 176.300 0.029 0.000 1.072 1240 R CA -0.364 55.754 56.100 0.029 0.000 0.980 1240 R CB 0.709 31.030 30.300 0.036 0.000 0.986 1240 R HN 0.370 nan 8.270 nan 0.000 0.448 1241 V N 4.541 124.476 119.914 0.034 0.000 2.357 1241 V HA 0.231 4.351 4.120 -0.000 0.000 0.284 1241 V C 0.233 176.366 176.094 0.065 0.000 1.018 1241 V CA -0.909 61.417 62.300 0.043 0.000 0.841 1241 V CB 1.356 33.210 31.823 0.052 0.000 0.991 1241 V HN 0.627 nan 8.190 nan 0.000 0.437 1242 R N 4.454 124.992 120.500 0.062 0.000 2.404 1242 R HA 0.175 4.515 4.340 -0.000 0.000 0.315 1242 R C 1.077 177.522 176.300 0.241 0.000 1.032 1242 R CA 0.098 56.260 56.100 0.104 0.000 0.992 1242 R CB 0.445 30.779 30.300 0.056 0.000 0.959 1242 R HN 0.481 nan 8.270 nan 0.000 0.428 1243 K N 1.471 122.000 120.400 0.214 0.000 2.228 1243 K HA 0.040 4.360 4.320 -0.000 0.000 0.202 1243 K C 0.102 176.847 176.600 0.242 0.000 1.051 1243 K CA 0.985 57.401 56.287 0.215 0.000 0.960 1243 K CB 0.053 32.601 32.500 0.080 0.000 0.743 1243 K HN 0.722 nan 8.250 nan 0.000 0.458 1244 S N -0.399 115.482 115.700 0.301 0.000 2.537 1244 S HA 0.601 5.071 4.470 -0.000 0.000 0.271 1244 S C -0.963 173.829 174.600 0.319 0.000 1.148 1244 S CA -1.053 57.287 58.200 0.234 0.000 0.868 1244 S CB 1.757 64.986 63.200 0.048 0.000 1.115 1244 S HN -0.067 nan 8.310 nan 0.000 0.461 1245 I N 1.848 122.644 120.570 0.377 0.000 2.512 1245 I HA 0.732 4.902 4.170 -0.000 0.000 0.287 1245 I C 0.428 176.716 176.117 0.285 0.000 1.069 1245 I CA -0.139 61.330 61.300 0.280 0.000 1.056 1245 I CB 1.272 39.423 38.000 0.252 0.000 1.229 1245 I HN 1.123 nan 8.210 nan 0.000 0.429 1246 G N 5.061 113.982 108.800 0.202 0.000 2.749 1246 G HA2 0.788 4.747 3.960 -0.000 0.000 0.300 1246 G HA3 0.788 4.747 3.960 -0.000 0.000 0.300 1246 G C -1.595 173.399 174.900 0.157 0.000 1.352 1246 G CA -0.674 44.551 45.100 0.209 0.000 0.789 1246 G HN 0.483 nan 8.290 nan 0.000 0.509 1247 R N -0.947 119.641 120.500 0.146 0.000 2.522 1247 R HA 0.608 4.948 4.340 -0.000 0.000 0.273 1247 R C -2.136 174.223 176.300 0.099 0.000 1.133 1247 R CA -0.525 55.649 56.100 0.124 0.000 0.969 1247 R CB 1.187 31.579 30.300 0.154 0.000 1.235 1247 R HN 0.725 nan 8.270 nan 0.000 0.433 1248 I N 4.779 125.393 120.570 0.074 0.000 2.646 1248 I HA 0.767 4.937 4.170 -0.000 0.000 0.299 1248 I C -1.089 175.064 176.117 0.060 0.000 1.036 1248 I CA -1.021 60.313 61.300 0.056 0.000 1.074 1248 I CB 2.101 40.118 38.000 0.029 0.000 1.258 1248 I HN 0.584 nan 8.210 nan 0.000 0.430 1249 V N 1.993 121.942 119.914 0.059 0.000 2.760 1249 V HA 0.578 4.698 4.120 -0.000 0.000 0.309 1249 V C -0.328 175.777 176.094 0.019 0.000 1.077 1249 V CA -0.398 61.947 62.300 0.076 0.000 0.910 1249 V CB 1.300 33.219 31.823 0.160 0.000 1.008 1249 V HN 0.715 nan 8.190 nan 0.000 0.424 1250 T N 6.746 121.305 114.554 0.007 0.000 2.832 1250 T HA 0.468 4.818 4.350 -0.000 0.000 0.296 1250 T C 0.246 174.873 174.700 -0.121 0.000 0.968 1250 T CA -0.186 61.877 62.100 -0.062 0.000 1.107 1250 T CB 0.567 69.405 68.868 -0.050 0.000 0.916 1250 T HN 0.740 nan 8.240 nan 0.000 0.517 1251 M N 3.013 122.411 119.600 -0.337 0.000 2.211 1251 M HA 0.269 4.749 4.480 -0.000 0.000 0.356 1251 M C 1.525 177.710 176.300 -0.192 0.000 1.216 1251 M CA -0.534 54.373 55.300 -0.655 0.000 1.134 1251 M CB 0.754 32.867 32.600 -0.812 0.000 1.564 1251 M HN 0.506 nan 8.290 nan 0.000 0.463 1252 K N 1.991 122.406 120.400 0.025 0.000 2.147 1252 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 1252 K C 0.493 177.125 176.600 0.053 0.000 1.049 1252 K CA 1.457 57.799 56.287 0.093 0.000 0.936 1252 K CB 0.281 32.887 32.500 0.176 0.000 0.722 1252 K HN 0.610 nan 8.250 nan 0.000 0.446 1253 R N 0.295 120.805 120.500 0.016 0.000 2.686 1253 R HA 0.254 4.594 4.340 -0.000 0.000 0.283 1253 R C -1.335 174.934 176.300 -0.052 0.000 0.978 1253 R CA -0.795 55.309 56.100 0.006 0.000 0.897 1253 R CB 0.918 31.239 30.300 0.035 0.000 1.192 1253 R HN 0.018 nan 8.270 nan 0.000 0.457 1254 N N 1.068 119.747 118.700 -0.036 0.000 2.492 1254 N HA 0.112 4.852 4.740 -0.000 0.000 0.262 1254 N C -0.998 174.488 175.510 -0.040 0.000 1.202 1254 N CA 0.312 53.331 53.050 -0.050 0.000 0.926 1254 N CB 1.549 40.019 38.487 -0.028 0.000 1.078 1254 N HN 0.504 nan 8.380 nan 0.000 0.454 1255 S N 0.475 116.142 115.700 -0.054 0.000 2.550 1255 S HA 0.524 4.994 4.470 -0.000 0.000 0.270 1255 S C -0.447 174.132 174.600 -0.036 0.000 1.145 1255 S CA -0.914 57.265 58.200 -0.035 0.000 0.852 1255 S CB 0.895 64.079 63.200 -0.027 0.000 1.119 1255 S HN 0.706 nan 8.310 nan 0.000 0.465 1256 R N 2.215 122.701 120.500 -0.022 0.000 2.629 1256 R HA 0.333 4.673 4.340 -0.000 0.000 0.408 1256 R C -0.142 176.151 176.300 -0.012 0.000 1.057 1256 R CA -0.588 55.501 56.100 -0.020 0.000 1.119 1256 R CB -0.282 30.009 30.300 -0.016 0.000 1.403 1256 R HN 0.458 nan 8.270 nan 0.000 0.576 1257 N N 1.386 120.081 118.700 -0.009 0.000 2.472 1257 N HA 0.039 4.779 4.740 -0.000 0.000 0.277 1257 N C 0.639 176.144 175.510 -0.008 0.000 1.081 1257 N CA -0.184 52.864 53.050 -0.003 0.000 0.973 1257 N CB 1.474 39.964 38.487 0.005 0.000 1.105 1257 N HN 0.146 nan 8.380 nan 0.000 0.470 1258 L N 4.003 125.222 121.223 -0.007 0.000 2.012 1258 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 1258 L C 2.044 178.898 176.870 -0.027 0.000 1.073 1258 L CA 1.651 56.481 54.840 -0.017 0.000 0.748 1258 L CB -0.135 41.922 42.059 -0.003 0.000 0.891 1258 L HN 0.623 nan 8.230 nan 0.000 0.431 1259 E N -0.366 119.829 120.200 -0.008 0.000 2.274 1259 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 1259 E C 2.017 178.615 176.600 -0.002 0.000 0.996 1259 E CA 0.897 57.293 56.400 -0.006 0.000 0.840 1259 E CB -0.129 29.580 29.700 0.015 0.000 0.772 1259 E HN 0.671 nan 8.360 nan 0.000 0.491 1260 E N 0.378 120.589 120.200 0.017 0.000 2.112 1260 E HA -0.021 4.329 4.350 -0.000 0.000 0.190 1260 E C 2.154 178.824 176.600 0.116 0.000 0.979 1260 E CA 0.466 56.904 56.400 0.063 0.000 0.814 1260 E CB 0.016 29.753 29.700 0.060 0.000 0.762 1260 E HN 0.238 nan 8.360 nan 0.000 0.460 1261 I N 1.175 121.769 120.570 0.041 0.000 2.406 1261 I HA -0.199 3.971 4.170 -0.000 0.000 0.249 1261 I C 2.227 178.325 176.117 -0.030 0.000 1.122 1261 I CA 0.776 62.098 61.300 0.036 0.000 1.431 1261 I CB -0.095 37.877 38.000 -0.046 0.000 1.087 1261 I HN -0.029 nan 8.210 nan 0.000 0.424 1262 K N 0.914 121.189 120.400 -0.208 0.000 2.052 1262 K HA -0.205 4.115 4.320 -0.000 0.000 0.215 1262 K C -0.559 175.591 176.600 -0.750 0.000 1.053 1262 K CA 2.053 57.960 56.287 -0.634 0.000 0.934 1262 K CB -1.352 30.780 32.500 -0.613 0.000 0.717 1262 K HN 0.305 nan 8.250 nan 0.000 0.450 1263 P HA -0.172 nan 4.420 nan 0.000 0.220 1263 P C 0.911 178.127 177.300 -0.139 0.000 1.148 1263 P CA 1.512 64.517 63.100 -0.159 0.000 0.803 1263 P CB -0.040 31.564 31.700 -0.159 0.000 0.782 1264 Y N -0.330 119.908 120.300 -0.105 0.000 2.176 1264 Y HA -0.069 4.481 4.550 -0.000 0.000 0.291 1264 Y C 2.568 178.441 175.900 -0.045 0.000 1.122 1264 Y CA 0.635 58.706 58.100 -0.049 0.000 1.128 1264 Y CB -1.314 37.115 38.460 -0.052 0.000 1.005 1264 Y HN -0.181 nan 8.280 nan 0.000 0.509 1265 L N -0.849 120.407 121.223 0.055 0.000 2.079 1265 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 1265 L C 1.889 178.801 176.870 0.069 0.000 1.081 1265 L CA 1.727 56.569 54.840 0.003 0.000 0.752 1265 L CB -0.904 41.092 42.059 -0.105 0.000 0.896 1265 L HN 0.070 nan 8.230 nan 0.000 0.433 1266 F N 0.040 119.928 119.950 -0.104 0.000 2.134 1266 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 1266 F C 2.792 178.516 175.800 -0.126 0.000 1.097 1266 F CA 1.440 59.273 58.000 -0.279 0.000 1.264 1266 F CB -1.130 37.766 39.000 -0.174 0.000 1.001 1266 F HN 0.190 nan 8.300 nan 0.000 0.479 1267 R N 0.767 121.372 120.500 0.175 0.000 2.081 1267 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 1267 R C 2.256 178.648 176.300 0.154 0.000 1.131 1267 R CA 1.349 57.534 56.100 0.142 0.000 0.960 1267 R CB -0.554 29.807 30.300 0.101 0.000 0.856 1267 R HN 0.199 nan 8.270 nan 0.000 0.436 1268 A N 0.954 123.868 122.820 0.157 0.000 2.084 1268 A HA -0.150 4.170 4.320 -0.000 0.000 0.221 1268 A C 2.077 179.811 177.584 0.251 0.000 1.161 1268 A CA 1.403 53.548 52.037 0.180 0.000 0.653 1268 A CB -0.401 18.693 19.000 0.156 0.000 0.802 1268 A HN 0.404 nan 8.150 nan 0.000 0.457 1269 I N -1.263 119.450 120.570 0.238 0.000 2.494 1269 I HA -0.080 4.090 4.170 -0.000 0.000 0.250 1269 I C 2.307 178.612 176.117 0.314 0.000 1.112 1269 I CA 0.566 62.063 61.300 0.328 0.000 1.438 1269 I CB -0.288 37.807 38.000 0.158 0.000 1.111 1269 I HN 0.186 nan 8.210 nan 0.000 0.431 1270 E N 1.214 121.548 120.200 0.224 0.000 2.051 1270 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 1270 E C 1.996 178.744 176.600 0.248 0.000 0.991 1270 E CA 1.393 57.919 56.400 0.211 0.000 0.799 1270 E CB -0.240 29.557 29.700 0.162 0.000 0.748 1270 E HN 0.501 nan 8.360 nan 0.000 0.449 1271 E N 0.363 120.701 120.200 0.231 0.000 2.110 1271 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 1271 E C 2.152 178.887 176.600 0.225 0.000 0.988 1271 E CA 1.011 57.550 56.400 0.232 0.000 0.804 1271 E CB 0.084 29.892 29.700 0.180 0.000 0.745 1271 E HN 0.035 nan 8.360 nan 0.000 0.458 1272 S N -0.168 115.680 115.700 0.247 0.000 2.368 1272 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 1272 S C 1.626 176.274 174.600 0.080 0.000 1.029 1272 S CA 0.874 59.198 58.200 0.206 0.000 0.988 1272 S CB -0.247 63.167 63.200 0.357 0.000 0.838 1272 S HN 0.331 nan 8.310 nan 0.000 0.462 1273 Y N -0.222 120.098 120.300 0.032 0.000 2.314 1273 Y HA -0.089 4.461 4.550 -0.000 0.000 0.293 1273 Y C 2.369 178.332 175.900 0.106 0.000 1.129 1273 Y CA 1.123 59.215 58.100 -0.012 0.000 1.201 1273 Y CB -0.261 38.175 38.460 -0.039 0.000 0.999 1273 Y HN 0.256 nan 8.280 nan 0.000 0.541 1274 Y N 1.419 121.792 120.300 0.121 0.000 2.145 1274 Y HA -0.235 4.315 4.550 -0.000 0.000 0.286 1274 Y C 2.040 177.954 175.900 0.023 0.000 1.145 1274 Y CA 1.426 59.564 58.100 0.064 0.000 1.148 1274 Y CB -0.524 37.974 38.460 0.062 0.000 0.981 1274 Y HN -0.015 nan 8.280 nan 0.000 0.507 1275 K N -0.024 120.373 120.400 -0.005 0.000 2.103 1275 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 1275 K C 2.173 178.718 176.600 -0.092 0.000 1.048 1275 K CA 1.541 57.763 56.287 -0.108 0.000 0.930 1275 K CB -0.429 32.048 32.500 -0.038 0.000 0.716 1275 K HN 0.363 nan 8.250 nan 0.000 0.444 1276 L N 0.944 122.113 121.223 -0.091 0.000 2.141 1276 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 1276 L C 0.365 177.153 176.870 -0.137 0.000 1.094 1276 L CA 0.240 54.980 54.840 -0.166 0.000 0.763 1276 L CB -0.674 41.202 42.059 -0.306 0.000 0.908 1276 L HN 0.233 nan 8.230 nan 0.000 0.437 1277 D N 1.466 121.840 120.400 -0.043 0.000 7.932 1277 D HA -0.236 4.404 4.640 -0.000 0.000 0.126 1277 D C 0.752 177.030 176.300 -0.038 0.000 1.199 1277 D CA 0.821 54.823 54.000 0.003 0.000 0.846 1277 D CB 0.149 40.974 40.800 0.041 0.000 1.666 1277 D HN 0.227 nan 8.370 nan 0.000 0.958 1278 K N 0.160 120.549 120.400 -0.019 0.000 3.448 1278 K HA -0.216 4.104 4.320 -0.000 0.000 0.292 1278 K C 0.374 176.951 176.600 -0.038 0.000 0.847 1278 K CA 0.893 57.168 56.287 -0.020 0.000 1.278 1278 K CB -1.099 31.387 32.500 -0.024 0.000 1.266 1278 K HN 0.508 nan 8.250 nan 0.000 0.523 1279 R N 1.453 121.894 120.500 -0.098 0.000 2.357 1279 R HA 0.422 4.762 4.340 -0.000 0.000 0.296 1279 R C 0.387 176.701 176.300 0.023 0.000 1.052 1279 R CA -0.306 55.731 56.100 -0.106 0.000 0.988 1279 R CB 0.656 30.694 30.300 -0.437 0.000 1.025 1279 R HN 0.066 nan 8.270 nan 0.000 0.469 1280 I N 4.504 125.164 120.570 0.150 0.000 2.359 1280 I HA 0.310 4.480 4.170 -0.000 0.000 0.284 1280 I C -2.205 174.074 176.117 0.270 0.000 1.018 1280 I CA -2.607 58.794 61.300 0.167 0.000 1.173 1280 I CB 1.243 39.324 38.000 0.135 0.000 1.326 1280 I HN 0.326 nan 8.210 nan 0.000 0.462 1281 P HA 0.203 nan 4.420 nan 0.000 0.272 1281 P C -0.079 177.320 177.300 0.164 0.000 1.230 1281 P CA -0.259 62.947 63.100 0.177 0.000 0.788 1281 P CB 1.642 33.485 31.700 0.239 0.000 0.949 1282 K N -0.226 120.232 120.400 0.097 0.000 2.391 1282 K HA 0.329 4.649 4.320 -0.000 0.000 0.197 1282 K C 0.669 177.374 176.600 0.175 0.000 1.087 1282 K CA 0.070 56.442 56.287 0.142 0.000 1.012 1282 K CB 0.832 33.380 32.500 0.081 0.000 0.925 1282 K HN 0.496 nan 8.250 nan 0.000 0.547 1283 A N 1.640 124.523 122.820 0.105 0.000 2.356 1283 A HA 0.721 5.041 4.320 -0.000 0.000 0.323 1283 A C -1.162 176.482 177.584 0.100 0.000 1.119 1283 A CA -0.681 51.400 52.037 0.073 0.000 0.790 1283 A CB 1.166 20.175 19.000 0.014 0.000 1.273 1283 A HN 0.234 nan 8.150 nan 0.000 0.452 1284 I N 0.924 121.490 120.570 -0.006 0.000 2.656 1284 I HA 0.521 4.691 4.170 -0.000 0.000 0.292 1284 I C -1.569 174.389 176.117 -0.265 0.000 1.144 1284 I CA -0.381 60.816 61.300 -0.172 0.000 1.038 1284 I CB 1.709 39.708 38.000 -0.001 0.000 1.244 1284 I HN 0.762 nan 8.210 nan 0.000 0.420 1285 H N 5.686 124.584 119.070 -0.286 0.000 2.637 1285 H HA 0.460 5.016 4.556 -0.000 0.000 0.363 1285 H C -1.206 174.017 175.328 -0.176 0.000 1.131 1285 H CA -0.639 55.302 56.048 -0.179 0.000 1.183 1285 H CB 2.760 32.434 29.762 -0.146 0.000 1.637 1285 H HN 0.304 nan 8.280 nan 0.000 0.531 1286 V N 3.960 123.868 119.914 -0.010 0.000 2.394 1286 V HA 0.174 4.294 4.120 -0.000 0.000 0.282 1286 V C -0.018 176.084 176.094 0.013 0.000 1.031 1286 V CA -0.586 61.709 62.300 -0.010 0.000 0.881 1286 V CB 1.566 33.383 31.823 -0.009 0.000 0.982 1286 V HN 0.402 nan 8.190 nan 0.000 0.451 1287 V N 4.341 124.256 119.914 0.001 0.000 2.417 1287 V HA 0.793 4.913 4.120 -0.000 0.000 0.291 1287 V C 0.225 176.313 176.094 -0.011 0.000 1.024 1287 V CA -0.558 61.740 62.300 -0.003 0.000 0.861 1287 V CB 1.598 33.414 31.823 -0.012 0.000 0.985 1287 V HN 0.945 nan 8.190 nan 0.000 0.436 1288 A N 4.579 127.390 122.820 -0.015 0.000 2.311 1288 A HA 0.764 5.084 4.320 -0.000 0.000 0.306 1288 A C -0.700 176.869 177.584 -0.025 0.000 1.189 1288 A CA -0.517 51.505 52.037 -0.025 0.000 0.791 1288 A CB 1.376 20.360 19.000 -0.027 0.000 1.172 1288 A HN 0.636 nan 8.150 nan 0.000 0.481 1289 V N 3.618 123.514 119.914 -0.030 0.000 2.389 1289 V HA 0.336 4.456 4.120 -0.000 0.000 0.264 1289 V C 1.244 177.319 176.094 -0.032 0.000 1.049 1289 V CA 0.403 62.687 62.300 -0.027 0.000 0.932 1289 V CB 0.904 32.712 31.823 -0.026 0.000 1.011 1289 V HN 1.081 nan 8.190 nan 0.000 0.475 1290 T N 2.220 116.758 114.554 -0.026 0.000 2.729 1290 T HA 0.171 4.521 4.350 -0.000 0.000 0.298 1290 T C 1.294 175.981 174.700 -0.023 0.000 1.013 1290 T CA 0.375 62.459 62.100 -0.026 0.000 0.957 1290 T CB 0.875 69.731 68.868 -0.021 0.000 1.130 1290 T HN 0.819 nan 8.240 nan 0.000 0.526 1291 E N 0.307 120.495 120.200 -0.020 0.000 2.107 1291 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 1291 E C 0.775 177.371 176.600 -0.006 0.000 0.982 1291 E CA 1.140 57.532 56.400 -0.013 0.000 0.809 1291 E CB -0.322 29.371 29.700 -0.012 0.000 0.756 1291 E HN 0.811 nan 8.360 nan 0.000 0.459 1292 D N 1.404 121.800 120.400 -0.007 0.000 2.434 1292 D HA 0.039 4.679 4.640 -0.000 0.000 0.232 1292 D C 0.693 176.990 176.300 -0.005 0.000 1.166 1292 D CA -0.294 53.704 54.000 -0.004 0.000 0.830 1292 D CB -0.058 40.739 40.800 -0.004 0.000 0.960 1292 D HN 0.302 nan 8.370 nan 0.000 0.497 1293 L N -0.957 120.262 121.223 -0.007 0.000 4.496 1293 L HA -0.211 4.129 4.340 -0.000 0.000 0.419 1293 L C -0.024 176.841 176.870 -0.009 0.000 1.139 1293 L CA 0.552 55.387 54.840 -0.007 0.000 0.975 1293 L CB -1.146 40.911 42.059 -0.003 0.000 2.099 1293 L HN 0.152 nan 8.230 nan 0.000 0.818 1294 D N 0.530 120.924 120.400 -0.011 0.000 2.345 1294 D HA 0.493 5.133 4.640 -0.000 0.000 0.247 1294 D C 0.157 176.449 176.300 -0.014 0.000 1.108 1294 D CA -0.031 53.962 54.000 -0.012 0.000 0.894 1294 D CB 0.826 41.619 40.800 -0.011 0.000 1.203 1294 D HN 0.148 nan 8.370 nan 0.000 0.430 1295 I N 2.138 122.699 120.570 -0.014 0.000 2.359 1295 I HA 0.284 4.454 4.170 -0.000 0.000 0.294 1295 I C -0.287 175.822 176.117 -0.014 0.000 0.987 1295 I CA -0.747 60.543 61.300 -0.016 0.000 1.225 1295 I CB 1.761 39.750 38.000 -0.018 0.000 1.366 1295 I HN -0.052 nan 8.210 nan 0.000 0.466 1296 V N 4.886 124.792 119.914 -0.013 0.000 2.569 1296 V HA 0.511 4.631 4.120 -0.000 0.000 0.301 1296 V C -0.384 175.709 176.094 -0.001 0.000 1.044 1296 V CA -0.402 61.893 62.300 -0.008 0.000 0.874 1296 V CB 2.011 33.829 31.823 -0.009 0.000 1.002 1296 V HN 0.873 nan 8.190 nan 0.000 0.424 1297 S N 5.833 121.540 115.700 0.011 0.000 2.548 1297 S HA 0.889 5.359 4.470 -0.000 0.000 0.286 1297 S C -1.072 173.559 174.600 0.052 0.000 1.098 1297 S CA -1.030 57.193 58.200 0.039 0.000 0.930 1297 S CB 2.771 66.004 63.200 0.055 0.000 1.070 1297 S HN 0.544 nan 8.310 nan 0.000 0.480 1298 R N 0.936 121.464 120.500 0.046 0.000 2.533 1298 R HA 0.714 5.054 4.340 -0.000 0.000 0.288 1298 R C -0.149 176.080 176.300 -0.118 0.000 1.039 1298 R CA -0.401 55.690 56.100 -0.014 0.000 0.909 1298 R CB 1.715 31.997 30.300 -0.030 0.000 1.195 1298 R HN 1.020 nan 8.270 nan 0.000 0.438 1299 G N 0.815 109.430 108.800 -0.310 0.000 2.730 1299 G HA2 0.760 4.720 3.960 -0.000 0.000 0.289 1299 G HA3 0.760 4.720 3.960 -0.000 0.000 0.289 1299 G C -1.304 173.293 174.900 -0.505 0.000 1.341 1299 G CA -0.571 44.062 45.100 -0.778 0.000 0.932 1299 G HN 0.336 nan 8.290 nan 0.000 0.481 1300 R N -0.587 119.611 120.500 -0.504 0.000 2.566 1300 R HA 0.529 4.869 4.340 -0.000 0.000 0.271 1300 R C -1.435 174.580 176.300 -0.475 0.000 1.071 1300 R CA -0.462 55.361 56.100 -0.463 0.000 0.915 1300 R CB 1.960 31.956 30.300 -0.506 0.000 1.228 1300 R HN 0.568 nan 8.270 nan 0.000 0.449 1301 T N 4.159 118.441 114.554 -0.454 0.000 2.779 1301 T HA 0.467 4.817 4.350 -0.000 0.000 0.280 1301 T C -0.716 173.723 174.700 -0.434 0.000 0.987 1301 T CA -0.271 61.641 62.100 -0.315 0.000 0.966 1301 T CB 0.432 69.203 68.868 -0.162 0.000 0.933 1301 T HN 0.231 nan 8.240 nan 0.000 0.442 1302 F N 3.571 123.431 119.950 -0.150 0.000 2.425 1302 F HA 0.369 4.896 4.527 -0.000 0.000 0.331 1302 F C -1.166 174.443 175.800 -0.319 0.000 1.085 1302 F CA -2.511 55.307 58.000 -0.304 0.000 1.028 1302 F CB 1.348 40.068 39.000 -0.468 0.000 1.177 1302 F HN 0.372 nan 8.300 nan 0.000 0.487 1303 P HA -0.096 nan 4.420 nan 0.000 0.242 1303 P C -0.568 176.752 177.300 0.033 0.000 1.198 1303 P CA 1.328 64.407 63.100 -0.035 0.000 0.756 1303 P CB -0.420 31.313 31.700 0.054 0.000 0.911 1304 H N -3.832 115.333 119.070 0.159 0.000 2.928 1304 H HA 0.524 5.080 4.556 -0.000 0.000 0.285 1304 H C -0.209 175.184 175.328 0.108 0.000 1.438 1304 H CA -1.058 55.054 56.048 0.106 0.000 1.176 1304 H CB 0.415 30.218 29.762 0.069 0.000 1.864 1304 H HN -0.138 nan 8.280 nan 0.000 0.567 1305 G N 0.355 109.332 108.800 0.296 0.000 2.544 1305 G HA2 0.412 4.372 3.960 -0.000 0.000 0.242 1305 G HA3 0.412 4.372 3.960 -0.000 0.000 0.242 1305 G C -0.194 174.831 174.900 0.208 0.000 1.247 1305 G CA -0.645 44.582 45.100 0.211 0.000 0.840 1305 G HN 0.475 nan 8.290 nan 0.000 0.578 1306 I N 1.762 122.432 120.570 0.167 0.000 2.328 1306 I HA 0.186 4.356 4.170 -0.000 0.000 0.287 1306 I C 0.843 177.055 176.117 0.159 0.000 1.012 1306 I CA -0.568 60.805 61.300 0.121 0.000 1.195 1306 I CB 1.383 39.518 38.000 0.226 0.000 1.350 1306 I HN 0.543 nan 8.210 nan 0.000 0.464 1307 S N 5.623 121.357 115.700 0.055 0.000 2.593 1307 S HA 0.156 4.626 4.470 -0.000 0.000 0.269 1307 S C 1.101 175.663 174.600 -0.063 0.000 1.334 1307 S CA -0.370 57.840 58.200 0.016 0.000 1.015 1307 S CB 1.700 64.873 63.200 -0.046 0.000 0.912 1307 S HN 0.751 nan 8.310 nan 0.000 0.541 1308 K N 1.065 121.303 120.400 -0.270 0.000 2.009 1308 K HA -0.188 4.132 4.320 -0.000 0.000 0.210 1308 K C 1.864 178.307 176.600 -0.262 0.000 1.049 1308 K CA 2.125 58.033 56.287 -0.631 0.000 0.929 1308 K CB -0.449 31.607 32.500 -0.740 0.000 0.714 1308 K HN 0.769 nan 8.250 nan 0.000 0.440 1309 E N -0.140 119.913 120.200 -0.245 0.000 2.097 1309 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 1309 E C 1.889 178.445 176.600 -0.072 0.000 1.000 1309 E CA 2.152 58.409 56.400 -0.238 0.000 0.804 1309 E CB -0.458 29.107 29.700 -0.224 0.000 0.740 1309 E HN 0.393 nan 8.360 nan 0.000 0.454 1310 T N 0.416 114.943 114.554 -0.045 0.000 2.746 1310 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 1310 T C 1.990 176.751 174.700 0.102 0.000 1.039 1310 T CA 1.314 63.413 62.100 -0.001 0.000 1.142 1310 T CB -0.459 68.368 68.868 -0.068 0.000 0.866 1310 T HN 0.310 nan 8.240 nan 0.000 0.444 1311 A N 0.563 123.486 122.820 0.171 0.000 1.908 1311 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 1311 A C 2.046 179.818 177.584 0.314 0.000 1.181 1311 A CA 1.464 53.698 52.037 0.328 0.000 0.627 1311 A CB -1.167 18.109 19.000 0.461 0.000 0.818 1311 A HN 0.592 nan 8.150 nan 0.000 0.445 1312 Y N 1.016 121.357 120.300 0.068 0.000 2.070 1312 Y HA -0.286 4.264 4.550 -0.000 0.000 0.280 1312 Y C 3.256 179.246 175.900 0.149 0.000 1.148 1312 Y CA 2.156 60.289 58.100 0.054 0.000 1.125 1312 Y CB -0.207 38.122 38.460 -0.218 0.000 0.975 1312 Y HN 0.509 nan 8.280 nan 0.000 0.492 1313 S N -0.732 115.124 115.700 0.259 0.000 2.453 1313 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 1313 S C 1.727 176.438 174.600 0.185 0.000 1.005 1313 S CA 1.213 59.531 58.200 0.195 0.000 0.949 1313 S CB -0.179 63.095 63.200 0.124 0.000 0.774 1313 S HN 0.362 nan 8.310 nan 0.000 0.510 1314 E N 2.453 122.775 120.200 0.204 0.000 2.152 1314 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 1314 E C 2.105 178.813 176.600 0.179 0.000 0.983 1314 E CA 1.346 57.878 56.400 0.220 0.000 0.818 1314 E CB -0.379 29.505 29.700 0.306 0.000 0.758 1314 E HN 0.732 nan 8.360 nan 0.000 0.467 1315 S N -1.248 114.563 115.700 0.185 0.000 2.458 1315 S HA -0.000 4.470 4.470 -0.000 0.000 0.223 1315 S C 2.055 176.724 174.600 0.115 0.000 1.019 1315 S CA 0.589 58.870 58.200 0.134 0.000 0.937 1315 S CB -0.197 63.089 63.200 0.143 0.000 0.788 1315 S HN 0.083 nan 8.310 nan 0.000 0.511 1316 V N 2.549 122.561 119.914 0.163 0.000 2.343 1316 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 1316 V C 2.660 178.806 176.094 0.086 0.000 1.051 1316 V CA 2.009 64.387 62.300 0.131 0.000 1.036 1316 V CB -0.645 31.297 31.823 0.199 0.000 0.654 1316 V HN 0.518 nan 8.190 nan 0.000 0.451 1317 K N -0.179 120.277 120.400 0.094 0.000 2.002 1317 K HA -0.124 4.196 4.320 -0.000 0.000 0.209 1317 K C 2.130 178.754 176.600 0.041 0.000 1.048 1317 K CA 1.462 57.790 56.287 0.067 0.000 0.930 1317 K CB -0.427 32.119 32.500 0.078 0.000 0.714 1317 K HN 0.329 nan 8.250 nan 0.000 0.438 1318 L N 1.004 122.249 121.223 0.038 0.000 2.012 1318 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 1318 L C 2.563 179.436 176.870 0.004 0.000 1.073 1318 L CA 0.769 55.614 54.840 0.008 0.000 0.748 1318 L CB -0.643 41.413 42.059 -0.005 0.000 0.891 1318 L HN 0.177 nan 8.230 nan 0.000 0.431 1319 L N -0.184 121.046 121.223 0.012 0.000 2.013 1319 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 1319 L C 2.594 179.464 176.870 -0.000 0.000 1.073 1319 L CA 1.828 56.668 54.840 -0.000 0.000 0.753 1319 L CB -0.603 41.451 42.059 -0.008 0.000 0.890 1319 L HN 0.247 nan 8.230 nan 0.000 0.432 1320 Q N -0.535 119.271 119.800 0.009 0.000 2.152 1320 Q HA -0.307 4.033 4.340 -0.000 0.000 0.206 1320 Q C 2.319 178.322 176.000 0.005 0.000 0.985 1320 Q CA 2.162 57.971 55.803 0.010 0.000 0.863 1320 Q CB -0.226 28.524 28.738 0.021 0.000 0.904 1320 Q HN 0.537 nan 8.270 nan 0.000 0.422 1321 K N 0.619 121.021 120.400 0.003 0.000 2.097 1321 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 1321 K C 1.836 178.433 176.600 -0.006 0.000 1.049 1321 K CA 1.024 57.309 56.287 -0.003 0.000 0.933 1321 K CB 0.009 32.504 32.500 -0.009 0.000 0.717 1321 K HN 0.155 nan 8.250 nan 0.000 0.442 1322 I N 0.499 121.065 120.570 -0.007 0.000 2.252 1322 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 1322 I C 1.750 177.861 176.117 -0.009 0.000 1.102 1322 I CA 0.538 61.833 61.300 -0.009 0.000 1.385 1322 I CB -0.084 37.910 38.000 -0.011 0.000 1.064 1322 I HN 0.141 nan 8.210 nan 0.000 0.414 1323 L N 0.333 121.551 121.223 -0.008 0.000 2.362 1323 L HA -0.147 4.193 4.340 -0.000 0.000 0.219 1323 L C 2.130 178.997 176.870 -0.005 0.000 1.134 1323 L CA 1.683 56.518 54.840 -0.008 0.000 0.807 1323 L CB -0.809 41.246 42.059 -0.007 0.000 0.927 1323 L HN 0.186 nan 8.230 nan 0.000 0.447 1324 E N -1.111 119.087 120.200 -0.003 0.000 2.276 1324 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 1324 E C 1.589 178.187 176.600 -0.004 0.000 0.983 1324 E CA 0.328 56.727 56.400 -0.002 0.000 0.861 1324 E CB 0.288 29.988 29.700 -0.000 0.000 0.817 1324 E HN 0.447 nan 8.360 nan 0.000 0.485 1325 E N -0.123 120.074 120.200 -0.005 0.000 2.481 1325 E HA 0.042 4.392 4.350 -0.000 0.000 0.198 1325 E C -0.329 176.267 176.600 -0.007 0.000 1.027 1325 E CA 0.079 56.475 56.400 -0.006 0.000 0.900 1325 E CB 0.696 30.392 29.700 -0.007 0.000 0.993 1325 E HN -0.045 nan 8.360 nan 0.000 0.482 1326 D N 0.890 121.286 120.400 -0.007 0.000 2.479 1326 D HA 0.033 4.673 4.640 -0.000 0.000 0.246 1326 D C -0.259 176.035 176.300 -0.009 0.000 1.336 1326 D CA -0.168 53.827 54.000 -0.008 0.000 0.967 1326 D CB 1.180 41.973 40.800 -0.010 0.000 1.275 1326 D HN -0.091 nan 8.370 nan 0.000 0.577 1327 E N 1.626 121.821 120.200 -0.008 0.000 2.526 1327 E HA 0.043 4.393 4.350 -0.000 0.000 0.198 1327 E C 0.345 176.940 176.600 -0.008 0.000 1.091 1327 E CA 0.353 56.749 56.400 -0.007 0.000 0.880 1327 E CB -0.023 29.674 29.700 -0.005 0.000 0.873 1327 E HN 0.219 nan 8.360 nan 0.000 0.527 1328 R N 0.767 121.261 120.500 -0.010 0.000 2.573 1328 R HA 0.409 4.749 4.340 -0.000 0.000 0.272 1328 R C -0.000 176.290 176.300 -0.016 0.000 1.009 1328 R CA -0.780 55.312 56.100 -0.012 0.000 1.059 1328 R CB 1.111 31.404 30.300 -0.012 0.000 1.112 1328 R HN -0.015 nan 8.270 nan 0.000 0.517 1329 K N 1.079 121.469 120.400 -0.017 0.000 2.126 1329 K HA 0.298 4.618 4.320 -0.000 0.000 0.257 1329 K C -0.139 176.442 176.600 -0.032 0.000 1.007 1329 K CA -0.259 56.013 56.287 -0.024 0.000 0.928 1329 K CB 0.714 33.201 32.500 -0.021 0.000 1.013 1329 K HN 0.304 nan 8.250 nan 0.000 0.473 1330 I N 1.121 121.663 120.570 -0.046 0.000 2.525 1330 I HA 0.242 4.412 4.170 -0.000 0.000 0.301 1330 I C 1.323 177.391 176.117 -0.080 0.000 0.992 1330 I CA -0.246 61.018 61.300 -0.060 0.000 1.162 1330 I CB 1.752 39.710 38.000 -0.069 0.000 1.332 1330 I HN 0.632 nan 8.210 nan 0.000 0.458 1331 R N 3.637 124.090 120.500 -0.077 0.000 2.191 1331 R HA 0.351 4.691 4.340 -0.000 0.000 0.196 1331 R C 0.366 176.593 176.300 -0.122 0.000 0.991 1331 R CA 0.170 56.217 56.100 -0.088 0.000 1.075 1331 R CB 0.610 30.881 30.300 -0.049 0.000 1.040 1331 R HN 0.527 nan 8.270 nan 0.000 0.526 1332 R N 0.330 120.772 120.500 -0.097 0.000 2.670 1332 R HA 0.425 4.765 4.340 -0.000 0.000 0.289 1332 R C -1.581 174.668 176.300 -0.085 0.000 0.965 1332 R CA -0.789 55.254 56.100 -0.095 0.000 0.899 1332 R CB 2.229 32.498 30.300 -0.052 0.000 1.173 1332 R HN 0.018 nan 8.270 nan 0.000 0.456 1333 I N 0.950 121.472 120.570 -0.079 0.000 2.533 1333 I HA 0.645 4.815 4.170 -0.000 0.000 0.290 1333 I C -0.660 175.458 176.117 0.001 0.000 1.056 1333 I CA -0.044 61.229 61.300 -0.044 0.000 1.057 1333 I CB 2.133 40.097 38.000 -0.061 0.000 1.240 1333 I HN 0.716 nan 8.210 nan 0.000 0.423 1334 G N 4.805 113.610 108.800 0.008 0.000 2.827 1334 G HA2 0.751 4.711 3.960 -0.000 0.000 0.296 1334 G HA3 0.751 4.711 3.960 -0.000 0.000 0.296 1334 G C -2.017 172.895 174.900 0.020 0.000 1.362 1334 G CA -0.642 44.476 45.100 0.031 0.000 0.809 1334 G HN 0.789 nan 8.290 nan 0.000 0.522 1335 V N -0.635 119.292 119.914 0.022 0.000 3.000 1335 V HA 0.826 4.946 4.120 -0.000 0.000 0.300 1335 V C -1.257 174.777 176.094 -0.100 0.000 1.251 1335 V CA -0.819 61.449 62.300 -0.054 0.000 0.972 1335 V CB 2.143 33.962 31.823 -0.007 0.000 1.065 1335 V HN 1.056 nan 8.190 nan 0.000 0.431 1336 R N 4.116 124.462 120.500 -0.257 0.000 2.744 1336 R HA 0.752 5.092 4.340 -0.000 0.000 0.279 1336 R C -2.122 173.892 176.300 -0.477 0.000 0.977 1336 R CA -0.456 55.521 56.100 -0.205 0.000 0.906 1336 R CB 1.971 32.226 30.300 -0.075 0.000 1.197 1336 R HN 0.572 nan 8.270 nan 0.000 0.463 1337 F N 1.908 121.897 119.950 0.064 0.000 2.493 1337 F HA 0.478 5.005 4.527 -0.000 0.000 0.329 1337 F C 0.111 175.812 175.800 -0.165 0.000 1.126 1337 F CA -0.249 57.757 58.000 0.011 0.000 0.937 1337 F CB 2.311 41.332 39.000 0.036 0.000 1.146 1337 F HN 0.660 nan 8.300 nan 0.000 0.442 1338 S N 0.645 116.231 115.700 -0.190 0.000 2.851 1338 S HA 0.622 5.092 4.470 -0.000 0.000 0.313 1338 S C -0.942 173.280 174.600 -0.630 0.000 1.163 1338 S CA -1.330 56.544 58.200 -0.542 0.000 0.850 1338 S CB 1.556 64.618 63.200 -0.230 0.000 1.245 1338 S HN 0.581 nan 8.310 nan 0.000 0.558 1339 K N 0.443 120.533 120.400 -0.518 0.000 3.689 1339 K HA -0.152 4.168 4.320 -0.000 0.000 0.276 1339 K C -1.186 175.292 176.600 -0.203 0.000 0.932 1339 K CA 0.311 56.443 56.287 -0.258 0.000 0.758 1339 K CB -1.992 30.445 32.500 -0.105 0.000 1.500 1339 K HN 0.427 nan 8.250 nan 0.000 0.448 1340 F N 0.853 120.840 119.950 0.062 0.000 2.450 1340 F HA 0.236 4.763 4.527 -0.000 0.000 0.339 1340 F C 1.932 177.761 175.800 0.049 0.000 1.146 1340 F CA -0.693 57.338 58.000 0.053 0.000 1.267 1340 F CB 0.331 39.352 39.000 0.035 0.000 1.178 1340 F HN 0.053 nan 8.300 nan 0.000 0.585 1341 I N 0.000 120.718 120.570 0.247 0.000 2.984 1341 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1341 I CA 0.000 61.390 61.300 0.150 0.000 1.566 1341 I CB 0.000 38.077 38.000 0.128 0.000 1.214 1341 I HN 0.000 nan 8.210 nan 0.000 0.494