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 3khl_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 -0.001 0.000 0.244 1001 G C 0.000 174.925 174.900 0.041 0.000 0.946 1001 G CA 0.000 45.116 45.100 0.027 0.000 0.502 1002 I N 0.813 121.415 120.570 0.054 0.000 2.478 1002 I HA 0.465 4.634 4.170 -0.001 0.000 0.287 1002 I C -0.492 175.718 176.117 0.156 0.000 1.042 1002 I CA -1.094 60.270 61.300 0.108 0.000 1.067 1002 I CB 2.197 40.216 38.000 0.030 0.000 1.233 1002 I HN 0.224 nan 8.210 nan 0.000 0.431 1003 V N 6.868 126.912 119.914 0.217 0.000 2.459 1003 V HA 0.451 4.570 4.120 -0.001 0.000 0.295 1003 V C -0.367 175.874 176.094 0.246 0.000 1.029 1003 V CA -0.663 61.777 62.300 0.233 0.000 0.874 1003 V CB 2.372 34.354 31.823 0.266 0.000 0.985 1003 V HN 0.510 nan 8.190 nan 0.000 0.438 1004 L N 5.318 126.673 121.223 0.221 0.000 2.305 1004 L HA 0.651 4.990 4.340 -0.001 0.000 0.284 1004 L C -1.182 175.805 176.870 0.196 0.000 1.013 1004 L CA -0.414 54.529 54.840 0.172 0.000 0.819 1004 L CB 1.142 43.256 42.059 0.091 0.000 1.227 1004 L HN 0.655 nan 8.230 nan 0.000 0.417 1005 F N 5.797 125.741 119.950 -0.010 0.000 2.443 1005 F HA 0.708 5.235 4.527 -0.001 0.000 0.335 1005 F C -1.103 174.598 175.800 -0.165 0.000 1.104 1005 F CA -0.567 57.329 58.000 -0.174 0.000 1.013 1005 F CB 1.626 40.483 39.000 -0.239 0.000 1.136 1005 F HN 0.114 nan 8.300 nan 0.000 0.470 1006 V N 4.857 124.207 119.914 -0.940 0.000 2.540 1006 V HA 0.391 4.510 4.120 -0.001 0.000 0.302 1006 V C -1.312 174.129 176.094 -1.088 0.000 1.035 1006 V CA -0.659 61.224 62.300 -0.694 0.000 0.873 1006 V CB 1.615 33.258 31.823 -0.300 0.000 0.992 1006 V HN 0.711 nan 8.190 nan 0.000 0.428 1007 D N 3.473 123.458 120.400 -0.691 0.000 2.686 1007 D HA 0.447 5.087 4.640 -0.001 0.000 0.249 1007 D C -0.934 175.244 176.300 -0.203 0.000 1.260 1007 D CA -0.418 53.225 54.000 -0.594 0.000 0.910 1007 D CB 1.289 41.881 40.800 -0.347 0.000 1.323 1007 D HN 0.130 nan 8.370 nan 0.000 0.561 1008 F N 1.523 121.287 119.950 -0.310 0.000 2.429 1008 F HA 0.250 4.776 4.527 -0.001 0.000 0.348 1008 F C 1.197 176.942 175.800 -0.091 0.000 1.109 1008 F CA -0.730 57.120 58.000 -0.251 0.000 1.232 1008 F CB 0.268 38.983 39.000 -0.474 0.000 1.157 1008 F HN 0.137 nan 8.300 nan 0.000 0.564 1009 D N 2.330 122.815 120.400 0.141 0.000 2.351 1009 D HA 0.055 4.694 4.640 -0.001 0.000 0.251 1009 D C 0.303 176.610 176.300 0.011 0.000 1.137 1009 D CA -0.002 54.093 54.000 0.157 0.000 0.879 1009 D CB 0.231 41.133 40.800 0.169 0.000 1.181 1009 D HN 0.647 nan 8.370 nan 0.000 0.448 1010 Y N 0.112 120.569 120.300 0.262 0.000 2.933 1010 Y HA -0.358 4.192 4.550 -0.001 0.000 0.217 1010 Y C 0.706 176.695 175.900 0.147 0.000 1.119 1010 Y CA -0.379 57.820 58.100 0.165 0.000 0.949 1010 Y CB -2.363 36.206 38.460 0.183 0.000 1.159 1010 Y HN 0.297 nan 8.280 nan 0.000 0.511 1011 F N 1.515 121.415 119.950 -0.083 0.000 2.027 1011 F HA -0.309 4.218 4.527 -0.001 0.000 0.297 1011 F C 2.152 177.922 175.800 -0.050 0.000 1.129 1011 F CA 2.074 60.039 58.000 -0.058 0.000 1.195 1011 F CB -0.776 38.268 39.000 0.074 0.000 0.960 1011 F HN 0.369 nan 8.300 nan 0.000 0.485 1012 Y N 0.280 120.236 120.300 -0.574 0.000 2.181 1012 Y HA -0.094 4.456 4.550 -0.001 0.000 0.288 1012 Y C 2.697 178.200 175.900 -0.661 0.000 1.146 1012 Y CA 0.754 58.182 58.100 -1.120 0.000 1.164 1012 Y CB -1.857 36.005 38.460 -0.998 0.000 0.982 1012 Y HN 0.181 nan 8.280 nan 0.000 0.515 1013 A N -0.343 122.420 122.820 -0.095 0.000 1.930 1013 A HA -0.212 4.107 4.320 -0.001 0.000 0.217 1013 A C 2.299 179.927 177.584 0.073 0.000 1.175 1013 A CA 1.545 53.618 52.037 0.059 0.000 0.627 1013 A CB -0.715 18.411 19.000 0.210 0.000 0.815 1013 A HN 0.503 nan 8.150 nan 0.000 0.443 1014 Q N -0.278 119.459 119.800 -0.106 0.000 2.079 1014 Q HA -0.112 4.228 4.340 -0.001 0.000 0.200 1014 Q C 2.012 177.935 176.000 -0.129 0.000 0.974 1014 Q CA 1.716 57.375 55.803 -0.241 0.000 0.840 1014 Q CB -0.156 28.154 28.738 -0.713 0.000 0.898 1014 Q HN 0.450 nan 8.270 nan 0.000 0.430 1015 V N 1.546 121.334 119.914 -0.210 0.000 2.343 1015 V HA -0.249 3.870 4.120 -0.001 0.000 0.247 1015 V C 2.199 178.290 176.094 -0.005 0.000 1.051 1015 V CA 1.850 64.078 62.300 -0.120 0.000 1.036 1015 V CB -0.545 31.167 31.823 -0.185 0.000 0.654 1015 V HN 0.364 nan 8.190 nan 0.000 0.451 1016 E N 0.130 120.341 120.200 0.018 0.000 2.085 1016 E HA -0.248 4.102 4.350 -0.001 0.000 0.194 1016 E C 2.190 178.823 176.600 0.055 0.000 0.994 1016 E CA 1.384 57.825 56.400 0.069 0.000 0.801 1016 E CB -0.233 29.521 29.700 0.089 0.000 0.743 1016 E HN 0.709 nan 8.360 nan 0.000 0.453 1017 E N 0.380 120.616 120.200 0.060 0.000 2.110 1017 E HA -0.115 4.234 4.350 -0.001 0.000 0.193 1017 E C 2.217 178.846 176.600 0.049 0.000 0.988 1017 E CA 0.865 57.308 56.400 0.072 0.000 0.804 1017 E CB 0.076 29.851 29.700 0.125 0.000 0.745 1017 E HN 0.017 nan 8.360 nan 0.000 0.458 1018 V N 1.039 120.972 119.914 0.031 0.000 2.427 1018 V HA -0.219 3.901 4.120 -0.001 0.000 0.248 1018 V C 2.052 178.158 176.094 0.021 0.000 1.051 1018 V CA 1.125 63.437 62.300 0.020 0.000 1.048 1018 V CB -0.231 31.596 31.823 0.006 0.000 0.666 1018 V HN 0.231 nan 8.190 nan 0.000 0.456 1019 L N -0.072 121.165 121.223 0.024 0.000 2.156 1019 L HA 0.094 4.433 4.340 -0.001 0.000 0.208 1019 L C 1.238 178.121 176.870 0.022 0.000 1.095 1019 L CA 1.483 56.335 54.840 0.021 0.000 0.770 1019 L CB -0.743 41.330 42.059 0.023 0.000 0.914 1019 L HN 0.383 nan 8.230 nan 0.000 0.439 1020 N N -1.007 117.711 118.700 0.029 0.000 2.733 1020 N HA 0.201 4.941 4.740 -0.001 0.000 0.271 1020 N C -2.197 173.332 175.510 0.033 0.000 1.720 1020 N CA -1.391 51.677 53.050 0.030 0.000 0.803 1020 N CB 0.992 39.499 38.487 0.034 0.000 1.208 1020 N HN -0.060 nan 8.380 nan 0.000 0.498 1021 P HA -0.037 nan 4.420 nan 0.000 0.230 1021 P C 1.320 178.639 177.300 0.032 0.000 1.158 1021 P CA 0.679 63.798 63.100 0.032 0.000 0.769 1021 P CB 0.255 31.970 31.700 0.026 0.000 0.807 1022 S N 0.141 115.857 115.700 0.027 0.000 2.353 1022 S HA -0.208 4.262 4.470 -0.001 0.000 0.222 1022 S C 1.826 176.443 174.600 0.029 0.000 1.035 1022 S CA 1.211 59.426 58.200 0.026 0.000 1.025 1022 S CB -1.737 61.476 63.200 0.022 0.000 0.902 1022 S HN -0.054 nan 8.310 nan 0.000 0.440 1023 L N 1.711 122.953 121.223 0.033 0.000 2.151 1023 L HA -0.070 4.269 4.340 -0.001 0.000 0.219 1023 L C 1.480 178.373 176.870 0.038 0.000 1.083 1023 L CA 1.492 56.352 54.840 0.035 0.000 0.782 1023 L CB -1.285 40.799 42.059 0.043 0.000 0.891 1023 L HN 0.431 nan 8.230 nan 0.000 0.439 1024 K N -0.694 119.735 120.400 0.047 0.000 2.469 1024 K HA 0.218 4.538 4.320 -0.001 0.000 0.274 1024 K C 1.157 177.779 176.600 0.036 0.000 0.983 1024 K CA 0.787 57.105 56.287 0.052 0.000 0.974 1024 K CB 0.028 32.564 32.500 0.060 0.000 0.913 1024 K HN 0.345 nan 8.250 nan 0.000 0.493 1025 G N 2.332 111.151 108.800 0.031 0.000 2.148 1025 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.254 1025 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.254 1025 G C -0.501 174.413 174.900 0.023 0.000 0.981 1025 G CA 1.014 46.128 45.100 0.025 0.000 0.670 1025 G HN 0.652 nan 8.290 nan 0.000 0.528 1026 K N -0.948 119.463 120.400 0.019 0.000 2.509 1026 K HA 0.690 5.009 4.320 -0.001 0.000 0.266 1026 K C -3.339 173.261 176.600 -0.000 0.000 0.987 1026 K CA -2.317 53.977 56.287 0.012 0.000 0.868 1026 K CB 2.647 35.151 32.500 0.006 0.000 1.421 1026 K HN -0.032 nan 8.250 nan 0.000 0.444 1027 P HA 0.080 nan 4.420 nan 0.000 0.271 1027 P C -0.607 176.636 177.300 -0.094 0.000 1.226 1027 P CA -0.308 62.769 63.100 -0.037 0.000 0.765 1027 P CB 0.785 32.462 31.700 -0.039 0.000 0.835 1028 V N 4.979 124.840 119.914 -0.089 0.000 2.487 1028 V HA 0.309 4.429 4.120 -0.001 0.000 0.298 1028 V C 0.089 176.104 176.094 -0.132 0.000 1.028 1028 V CA -0.674 61.565 62.300 -0.102 0.000 0.860 1028 V CB 2.372 34.189 31.823 -0.009 0.000 0.991 1028 V HN 0.242 nan 8.190 nan 0.000 0.427 1029 V N 5.436 125.216 119.914 -0.224 0.000 2.407 1029 V HA 0.432 4.552 4.120 -0.001 0.000 0.291 1029 V C -0.232 175.827 176.094 -0.058 0.000 1.018 1029 V CA -0.690 61.495 62.300 -0.192 0.000 0.842 1029 V CB 1.910 33.497 31.823 -0.394 0.000 0.996 1029 V HN 0.583 nan 8.190 nan 0.000 0.426 1030 V N 4.118 124.036 119.914 0.006 0.000 2.406 1030 V HA 0.345 4.464 4.120 -0.001 0.000 0.272 1030 V C 0.094 176.214 176.094 0.043 0.000 1.043 1030 V CA -0.192 62.154 62.300 0.075 0.000 0.915 1030 V CB 1.119 33.014 31.823 0.121 0.000 0.988 1030 V HN 1.004 nan 8.190 nan 0.000 0.466 1031 C N 4.609 123.908 119.300 -0.002 0.000 2.435 1031 C HA 0.624 5.083 4.460 -0.001 0.000 0.333 1031 C C 0.274 175.104 174.990 -0.267 0.000 1.202 1031 C CA -0.874 57.988 59.018 -0.260 0.000 1.830 1031 C CB 1.530 28.856 27.740 -0.691 0.000 2.326 1031 C HN 0.601 nan 8.230 nan 0.000 0.507 1032 V N 3.273 123.029 119.914 -0.263 0.000 2.288 1032 V HA 0.264 4.384 4.120 -0.001 0.000 0.266 1032 V C -0.449 175.516 176.094 -0.215 0.000 1.048 1032 V CA -0.037 62.187 62.300 -0.128 0.000 0.842 1032 V CB -0.591 31.218 31.823 -0.023 0.000 1.064 1032 V HN 0.664 nan 8.190 nan 0.000 0.472 1033 F N 2.896 122.854 119.950 0.013 0.000 2.438 1033 F HA 0.239 4.765 4.527 -0.001 0.000 0.356 1033 F C 1.642 177.420 175.800 -0.038 0.000 1.099 1033 F CA 0.021 58.002 58.000 -0.030 0.000 1.185 1033 F CB 1.571 40.557 39.000 -0.023 0.000 1.115 1033 F HN 0.553 nan 8.300 nan 0.000 0.526 1034 S N 0.940 116.685 115.700 0.075 0.000 2.517 1034 S HA 0.283 4.753 4.470 -0.001 0.000 0.214 1034 S C 1.587 176.204 174.600 0.029 0.000 0.991 1034 S CA 0.210 58.423 58.200 0.023 0.000 0.906 1034 S CB 0.095 63.269 63.200 -0.042 0.000 0.789 1034 S HN 1.222 nan 8.310 nan 0.000 0.513 1035 G N 1.741 110.553 108.800 0.021 0.000 2.143 1035 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.249 1035 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.249 1035 G C 0.998 175.906 174.900 0.013 0.000 0.981 1035 G CA 0.423 45.537 45.100 0.023 0.000 0.665 1035 G HN 0.401 nan 8.290 nan 0.000 0.528 1036 R N -0.442 120.025 120.500 -0.056 0.000 2.089 1036 R HA 0.244 4.584 4.340 -0.001 0.000 0.222 1036 R C 1.503 177.867 176.300 0.107 0.000 1.151 1036 R CA 1.909 58.014 56.100 0.009 0.000 0.908 1036 R CB -0.484 29.787 30.300 -0.049 0.000 0.813 1036 R HN 0.708 nan 8.270 nan 0.000 0.440 1037 F N -0.895 119.085 119.950 0.050 0.000 2.679 1037 F HA 0.445 4.971 4.527 -0.001 0.000 0.341 1037 F C -0.122 175.707 175.800 0.048 0.000 1.095 1037 F CA -1.449 56.574 58.000 0.038 0.000 1.004 1037 F CB 0.313 39.330 39.000 0.028 0.000 1.388 1037 F HN -0.120 nan 8.300 nan 0.000 0.505 1038 E N 1.049 121.386 120.200 0.229 0.000 2.498 1038 E HA -0.019 4.331 4.350 -0.001 0.000 0.252 1038 E C -0.730 175.943 176.600 0.122 0.000 1.025 1038 E CA 0.852 57.324 56.400 0.119 0.000 0.938 1038 E CB -0.215 29.556 29.700 0.117 0.000 0.947 1038 E HN 0.711 nan 8.360 nan 0.000 0.478 1039 D N 1.718 122.155 120.400 0.062 0.000 3.090 1039 D HA -0.168 4.472 4.640 -0.001 0.000 0.215 1039 D C -0.380 175.875 176.300 -0.075 0.000 1.140 1039 D CA 1.279 55.359 54.000 0.132 0.000 0.937 1039 D CB -1.656 39.211 40.800 0.113 0.000 1.108 1039 D HN 0.456 nan 8.370 nan 0.000 0.420 1040 S N -0.473 114.943 115.700 -0.472 0.000 2.548 1040 S HA 0.623 5.093 4.470 -0.001 0.000 0.277 1040 S C 0.832 175.253 174.600 -0.299 0.000 1.315 1040 S CA 0.672 58.391 58.200 -0.801 0.000 1.050 1040 S CB 2.320 64.583 63.200 -1.562 0.000 0.918 1040 S HN 0.984 nan 8.310 nan 0.000 0.497 1041 G N 1.053 109.723 108.800 -0.216 0.000 2.340 1041 G HA2 0.535 4.494 3.960 -0.001 0.000 0.282 1041 G HA3 0.535 4.494 3.960 -0.001 0.000 0.282 1041 G C -0.994 173.827 174.900 -0.132 0.000 1.312 1041 G CA -0.351 44.654 45.100 -0.159 0.000 0.942 1041 G HN 1.671 nan 8.290 nan 0.000 0.495 1042 A N -1.272 121.467 122.820 -0.135 0.000 2.469 1042 A HA 0.864 5.183 4.320 -0.001 0.000 0.299 1042 A C -0.220 177.298 177.584 -0.109 0.000 1.098 1042 A CA -0.324 51.659 52.037 -0.090 0.000 0.737 1042 A CB 1.802 20.773 19.000 -0.048 0.000 1.312 1042 A HN 1.812 nan 8.150 nan 0.000 0.414 1043 V N 1.598 121.473 119.914 -0.065 0.000 2.572 1043 V HA 0.344 4.464 4.120 -0.001 0.000 0.291 1043 V C 1.400 177.473 176.094 -0.035 0.000 1.039 1043 V CA 0.837 63.108 62.300 -0.047 0.000 1.055 1043 V CB 0.831 32.644 31.823 -0.018 0.000 0.969 1043 V HN 1.173 nan 8.190 nan 0.000 0.482 1044 A N 3.979 126.790 122.820 -0.015 0.000 1.911 1044 A HA 0.308 4.628 4.320 -0.001 0.000 0.212 1044 A C 1.066 178.598 177.584 -0.086 0.000 1.189 1044 A CA 1.323 53.357 52.037 -0.006 0.000 0.639 1044 A CB 0.289 19.368 19.000 0.131 0.000 0.839 1044 A HN 0.774 nan 8.150 nan 0.000 0.449 1045 T N -3.407 111.108 114.554 -0.066 0.000 2.677 1045 T HA 0.562 4.912 4.350 -0.001 0.000 0.305 1045 T C -1.938 172.730 174.700 -0.054 0.000 1.569 1045 T CA 0.212 62.256 62.100 -0.092 0.000 0.984 1045 T CB 1.196 69.973 68.868 -0.151 0.000 1.629 1045 T HN 1.304 nan 8.240 nan 0.000 0.494 1046 A N 2.059 124.841 122.820 -0.064 0.000 2.594 1046 A HA 0.731 5.051 4.320 -0.001 0.000 0.295 1046 A C -0.678 176.861 177.584 -0.076 0.000 1.071 1046 A CA -0.784 51.215 52.037 -0.063 0.000 0.685 1046 A CB 1.295 20.244 19.000 -0.085 0.000 1.285 1046 A HN 1.020 nan 8.150 nan 0.000 0.405 1047 N N 0.097 118.759 118.700 -0.063 0.000 2.354 1047 N HA 0.145 4.884 4.740 -0.001 0.000 0.246 1047 N C 0.311 175.667 175.510 -0.257 0.000 1.285 1047 N CA 0.131 53.062 53.050 -0.199 0.000 0.925 1047 N CB -0.054 38.321 38.487 -0.187 0.000 1.174 1047 N HN 0.574 nan 8.380 nan 0.000 0.478 1048 Y N -0.544 119.495 120.300 -0.436 0.000 2.293 1048 Y HA -0.099 4.450 4.550 -0.001 0.000 0.291 1048 Y C 1.888 177.692 175.900 -0.160 0.000 1.137 1048 Y CA 1.391 59.335 58.100 -0.260 0.000 1.202 1048 Y CB -0.114 38.180 38.460 -0.277 0.000 0.990 1048 Y HN 0.573 nan 8.280 nan 0.000 0.537 1049 E N -0.032 120.161 120.200 -0.012 0.000 2.058 1049 E HA -0.228 4.122 4.350 -0.001 0.000 0.194 1049 E C 2.360 179.026 176.600 0.111 0.000 0.997 1049 E CA 1.447 57.872 56.400 0.043 0.000 0.801 1049 E CB -0.645 29.082 29.700 0.046 0.000 0.746 1049 E HN 0.418 nan 8.360 nan 0.000 0.450 1050 A N 0.608 123.458 122.820 0.049 0.000 1.968 1050 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 1050 A C 1.997 179.628 177.584 0.078 0.000 1.169 1050 A CA 1.168 53.260 52.037 0.091 0.000 0.638 1050 A CB -0.241 18.745 19.000 -0.022 0.000 0.812 1050 A HN 0.083 nan 8.150 nan 0.000 0.446 1051 R N -0.146 120.322 120.500 -0.053 0.000 2.148 1051 R HA -0.018 4.322 4.340 -0.001 0.000 0.223 1051 R C 1.924 178.160 176.300 -0.106 0.000 1.088 1051 R CA 1.102 57.139 56.100 -0.105 0.000 0.985 1051 R CB -0.229 29.925 30.300 -0.243 0.000 0.880 1051 R HN 0.455 nan 8.270 nan 0.000 0.451 1052 K N 0.144 120.446 120.400 -0.164 0.000 2.127 1052 K HA -0.157 4.163 4.320 -0.001 0.000 0.208 1052 K C 1.113 177.454 176.600 -0.431 0.000 1.047 1052 K CA 1.460 57.540 56.287 -0.346 0.000 0.927 1052 K CB -0.097 32.086 32.500 -0.527 0.000 0.716 1052 K HN 0.150 nan 8.250 nan 0.000 0.450 1053 F N -0.581 119.354 119.950 -0.024 0.000 2.732 1053 F HA 0.193 4.720 4.527 -0.001 0.000 0.303 1053 F C 1.368 177.160 175.800 -0.013 0.000 1.110 1053 F CA 0.380 58.372 58.000 -0.013 0.000 1.355 1053 F CB 0.746 39.743 39.000 -0.006 0.000 1.081 1053 F HN 0.159 nan 8.300 nan 0.000 0.565 1054 G N 0.050 108.898 108.800 0.080 0.000 2.157 1054 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.239 1054 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.239 1054 G C -0.051 174.872 174.900 0.039 0.000 0.982 1054 G CA -0.062 45.064 45.100 0.043 0.000 0.650 1054 G HN 0.103 nan 8.290 nan 0.000 0.527 1055 V N 2.878 122.824 119.914 0.054 0.000 2.372 1055 V HA 0.542 4.661 4.120 -0.001 0.000 0.261 1055 V C 0.633 176.715 176.094 -0.019 0.000 1.055 1055 V CA 0.754 63.075 62.300 0.034 0.000 0.930 1055 V CB 0.713 32.566 31.823 0.051 0.000 1.031 1055 V HN 0.645 nan 8.190 nan 0.000 0.479 1056 K N 3.682 124.068 120.400 -0.024 0.000 2.495 1056 K HA 0.859 5.178 4.320 -0.001 0.000 0.268 1056 K C -0.482 176.090 176.600 -0.046 0.000 1.008 1056 K CA -0.982 55.272 56.287 -0.055 0.000 0.882 1056 K CB 2.078 34.543 32.500 -0.059 0.000 1.443 1056 K HN 0.456 nan 8.250 nan 0.000 0.447 1057 A N 0.289 123.071 122.820 -0.063 0.000 2.561 1057 A HA 0.374 4.693 4.320 -0.001 0.000 0.251 1057 A C 1.234 178.795 177.584 -0.040 0.000 1.062 1057 A CA 1.370 53.372 52.037 -0.058 0.000 0.761 1057 A CB -1.397 17.559 19.000 -0.075 0.000 0.986 1057 A HN 1.359 nan 8.150 nan 0.000 0.510 1058 G N 1.608 110.389 108.800 -0.031 0.000 2.284 1058 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.216 1058 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.216 1058 G C 0.431 175.322 174.900 -0.015 0.000 1.009 1058 G CA 0.078 45.165 45.100 -0.022 0.000 0.625 1058 G HN 1.964 nan 8.290 nan 0.000 0.501 1059 I N 0.984 121.547 120.570 -0.011 0.000 2.696 1059 I HA 0.588 4.758 4.170 -0.001 0.000 0.284 1059 I C -1.855 174.261 176.117 -0.001 0.000 1.129 1059 I CA -2.140 59.160 61.300 0.001 0.000 1.410 1059 I CB 0.610 38.617 38.000 0.011 0.000 1.399 1059 I HN -0.046 nan 8.210 nan 0.000 0.579 1060 P HA 0.064 nan 4.420 nan 0.000 0.265 1060 P C 0.741 178.044 177.300 0.005 0.000 1.187 1060 P CA 0.222 63.326 63.100 0.006 0.000 0.766 1060 P CB 0.770 32.491 31.700 0.036 0.000 0.820 1061 I N 2.615 123.166 120.570 -0.031 0.000 2.226 1061 I HA -0.239 3.931 4.170 -0.001 0.000 0.245 1061 I C 2.364 178.473 176.117 -0.013 0.000 1.100 1061 I CA 1.487 62.765 61.300 -0.036 0.000 1.374 1061 I CB -0.643 37.277 38.000 -0.134 0.000 1.057 1061 I HN 0.213 nan 8.210 nan 0.000 0.413 1062 V N -1.699 118.228 119.914 0.022 0.000 2.490 1062 V HA -0.253 3.866 4.120 -0.001 0.000 0.250 1062 V C 2.160 178.273 176.094 0.033 0.000 1.061 1062 V CA 1.862 64.188 62.300 0.044 0.000 1.064 1062 V CB -0.808 31.090 31.823 0.124 0.000 0.670 1062 V HN 0.466 nan 8.190 nan 0.000 0.461 1063 E N 0.625 120.849 120.200 0.040 0.000 2.072 1063 E HA -0.057 4.292 4.350 -0.001 0.000 0.190 1063 E C 2.356 178.988 176.600 0.053 0.000 0.982 1063 E CA 1.125 57.549 56.400 0.041 0.000 0.803 1063 E CB -0.214 29.509 29.700 0.039 0.000 0.755 1063 E HN 0.696 nan 8.360 nan 0.000 0.453 1064 A N 1.593 124.457 122.820 0.072 0.000 1.908 1064 A HA -0.225 4.095 4.320 -0.001 0.000 0.218 1064 A C 1.989 179.670 177.584 0.161 0.000 1.181 1064 A CA 1.595 53.714 52.037 0.138 0.000 0.627 1064 A CB -0.346 18.788 19.000 0.223 0.000 0.818 1064 A HN 0.093 nan 8.150 nan 0.000 0.445 1065 K N -0.406 120.020 120.400 0.044 0.000 2.147 1065 K HA -0.127 4.192 4.320 -0.001 0.000 0.205 1065 K C 2.050 178.657 176.600 0.012 0.000 1.049 1065 K CA 1.513 57.773 56.287 -0.045 0.000 0.936 1065 K CB -0.135 32.233 32.500 -0.221 0.000 0.722 1065 K HN 0.430 nan 8.250 nan 0.000 0.446 1066 K N 0.709 121.120 120.400 0.019 0.000 2.057 1066 K HA -0.106 4.213 4.320 -0.001 0.000 0.207 1066 K C 1.995 178.610 176.600 0.026 0.000 1.049 1066 K CA 1.351 57.650 56.287 0.019 0.000 0.931 1066 K CB -0.054 32.459 32.500 0.022 0.000 0.714 1066 K HN 0.100 nan 8.250 nan 0.000 0.440 1067 I N 0.235 120.831 120.570 0.043 0.000 2.277 1067 I HA -0.150 4.020 4.170 -0.001 0.000 0.243 1067 I C 0.725 176.842 176.117 -0.001 0.000 1.094 1067 I CA 0.910 62.231 61.300 0.034 0.000 1.393 1067 I CB 0.115 38.154 38.000 0.065 0.000 1.078 1067 I HN -0.009 nan 8.210 nan 0.000 0.417 1068 L N 2.293 123.543 121.223 0.046 0.000 2.495 1068 L HA 0.277 4.617 4.340 -0.001 0.000 0.248 1068 L C -1.743 175.211 176.870 0.140 0.000 1.229 1068 L CA -1.179 53.674 54.840 0.022 0.000 0.942 1068 L CB 0.973 43.028 42.059 -0.007 0.000 1.242 1068 L HN -0.078 nan 8.230 nan 0.000 0.484 1069 P HA -0.092 nan 4.420 nan 0.000 0.226 1069 P C 0.595 177.973 177.300 0.130 0.000 1.153 1069 P CA 1.198 64.348 63.100 0.083 0.000 0.777 1069 P CB 0.300 32.014 31.700 0.023 0.000 0.794 1070 N N -0.647 118.106 118.700 0.087 0.000 2.353 1070 N HA 0.164 4.904 4.740 -0.001 0.000 0.185 1070 N C 0.719 176.273 175.510 0.073 0.000 1.098 1070 N CA -0.385 52.706 53.050 0.068 0.000 0.872 1070 N CB 0.049 38.540 38.487 0.007 0.000 0.970 1070 N HN 0.077 nan 8.380 nan 0.000 0.467 1071 A N 0.747 123.616 122.820 0.083 0.000 2.475 1071 A HA 0.164 4.483 4.320 -0.001 0.000 0.239 1071 A C 0.299 177.827 177.584 -0.093 0.000 1.087 1071 A CA -0.028 51.952 52.037 -0.095 0.000 0.779 1071 A CB 0.343 19.145 19.000 -0.330 0.000 1.036 1071 A HN -0.001 nan 8.150 nan 0.000 0.506 1072 V N 1.795 121.602 119.914 -0.179 0.000 2.408 1072 V HA 0.200 4.320 4.120 -0.001 0.000 0.267 1072 V C -0.899 175.062 176.094 -0.221 0.000 1.047 1072 V CA 0.195 62.448 62.300 -0.078 0.000 0.937 1072 V CB -0.346 31.459 31.823 -0.031 0.000 0.999 1072 V HN 0.627 nan 8.190 nan 0.000 0.472 1073 Y N 5.764 126.120 120.300 0.093 0.000 2.353 1073 Y HA 0.636 5.185 4.550 -0.001 0.000 0.340 1073 Y C 0.098 176.111 175.900 0.187 0.000 0.972 1073 Y CA -0.472 57.714 58.100 0.142 0.000 1.157 1073 Y CB 1.228 39.800 38.460 0.188 0.000 1.157 1073 Y HN 0.432 nan 8.280 nan 0.000 0.495 1074 L N 6.450 127.839 121.223 0.277 0.000 2.365 1074 L HA 0.563 4.902 4.340 -0.001 0.000 0.273 1074 L C -2.501 174.574 176.870 0.342 0.000 1.000 1074 L CA -2.438 52.556 54.840 0.257 0.000 0.819 1074 L CB 2.404 44.560 42.059 0.162 0.000 1.284 1074 L HN 0.370 nan 8.230 nan 0.000 0.418 1075 P HA 0.060 nan 4.420 nan 0.000 0.275 1075 P C -0.606 176.843 177.300 0.249 0.000 1.227 1075 P CA -0.463 62.886 63.100 0.415 0.000 0.781 1075 P CB 0.944 32.829 31.700 0.309 0.000 0.906 1076 M N 4.157 123.892 119.600 0.225 0.000 2.269 1076 M HA 0.039 4.519 4.480 -0.001 0.000 0.350 1076 M C 0.133 176.464 176.300 0.052 0.000 1.429 1076 M CA 0.581 56.017 55.300 0.228 0.000 1.063 1076 M CB 0.028 32.770 32.600 0.238 0.000 1.841 1076 M HN 0.241 nan 8.290 nan 0.000 0.455 1077 R N 4.272 124.660 120.500 -0.187 0.000 2.664 1077 R HA 0.120 4.460 4.340 -0.001 0.000 0.281 1077 R C 0.401 176.117 176.300 -0.973 0.000 1.383 1077 R CA -0.406 55.398 56.100 -0.494 0.000 1.563 1077 R CB 0.575 30.595 30.300 -0.466 0.000 1.131 1077 R HN 0.677 nan 8.270 nan 0.000 0.599 1078 K N 1.807 121.911 120.400 -0.493 0.000 2.097 1078 K HA -0.185 4.135 4.320 -0.001 0.000 0.206 1078 K C 0.984 177.377 176.600 -0.344 0.000 1.049 1078 K CA 1.842 57.897 56.287 -0.388 0.000 0.933 1078 K CB 0.379 32.833 32.500 -0.077 0.000 0.717 1078 K HN 0.307 nan 8.250 nan 0.000 0.442 1079 E N -0.048 119.997 120.200 -0.259 0.000 2.097 1079 E HA -0.176 4.174 4.350 -0.001 0.000 0.196 1079 E C 1.967 178.452 176.600 -0.193 0.000 1.000 1079 E CA 1.541 57.847 56.400 -0.156 0.000 0.804 1079 E CB -0.617 29.014 29.700 -0.115 0.000 0.740 1079 E HN 0.099 nan 8.360 nan 0.000 0.454 1080 V N 0.518 120.217 119.914 -0.359 0.000 2.295 1080 V HA -0.263 3.857 4.120 -0.001 0.000 0.246 1080 V C 1.911 177.865 176.094 -0.233 0.000 1.049 1080 V CA 1.840 63.944 62.300 -0.325 0.000 1.024 1080 V CB -0.714 30.846 31.823 -0.438 0.000 0.648 1080 V HN 0.244 nan 8.190 nan 0.000 0.447 1081 Y N 0.207 120.390 120.300 -0.196 0.000 2.293 1081 Y HA -0.157 4.393 4.550 -0.001 0.000 0.291 1081 Y C 2.546 178.497 175.900 0.085 0.000 1.137 1081 Y CA 1.082 59.050 58.100 -0.219 0.000 1.202 1081 Y CB -1.031 37.086 38.460 -0.572 0.000 0.990 1081 Y HN 0.269 nan 8.280 nan 0.000 0.537 1082 Q N 0.720 120.604 119.800 0.141 0.000 2.119 1082 Q HA -0.163 4.176 4.340 -0.001 0.000 0.201 1082 Q C 1.979 178.068 176.000 0.148 0.000 0.972 1082 Q CA 1.682 57.590 55.803 0.175 0.000 0.847 1082 Q CB -0.231 28.567 28.738 0.101 0.000 0.903 1082 Q HN 0.566 nan 8.270 nan 0.000 0.433 1083 Q N -0.924 118.926 119.800 0.083 0.000 2.050 1083 Q HA -0.131 4.209 4.340 -0.001 0.000 0.202 1083 Q C 2.105 178.170 176.000 0.109 0.000 0.980 1083 Q CA 1.853 57.698 55.803 0.070 0.000 0.840 1083 Q CB -0.100 28.653 28.738 0.024 0.000 0.898 1083 Q HN 0.273 nan 8.270 nan 0.000 0.424 1084 V N 0.374 120.378 119.914 0.150 0.000 2.287 1084 V HA -0.293 3.827 4.120 -0.001 0.000 0.248 1084 V C 2.356 178.601 176.094 0.252 0.000 1.053 1084 V CA 1.971 64.386 62.300 0.193 0.000 1.027 1084 V CB -0.773 31.200 31.823 0.250 0.000 0.646 1084 V HN 0.374 nan 8.190 nan 0.000 0.447 1085 S N -0.322 115.624 115.700 0.410 0.000 2.359 1085 S HA -0.233 4.237 4.470 -0.001 0.000 0.224 1085 S C 2.240 176.962 174.600 0.202 0.000 1.035 1085 S CA 2.214 60.629 58.200 0.359 0.000 1.018 1085 S CB -0.359 63.089 63.200 0.414 0.000 0.876 1085 S HN 0.625 nan 8.310 nan 0.000 0.448 1086 S N 1.280 117.075 115.700 0.158 0.000 2.368 1086 S HA -0.035 4.434 4.470 -0.001 0.000 0.225 1086 S C 1.978 176.623 174.600 0.075 0.000 1.030 1086 S CA 1.007 59.268 58.200 0.102 0.000 0.999 1086 S CB -0.324 62.924 63.200 0.079 0.000 0.844 1086 S HN 0.515 nan 8.310 nan 0.000 0.459 1087 R N 0.619 121.160 120.500 0.067 0.000 2.073 1087 R HA -0.002 4.337 4.340 -0.001 0.000 0.234 1087 R C 2.247 178.559 176.300 0.020 0.000 1.134 1087 R CA 1.397 57.519 56.100 0.037 0.000 0.952 1087 R CB -0.594 29.723 30.300 0.028 0.000 0.850 1087 R HN 0.402 nan 8.270 nan 0.000 0.433 1088 I N 0.650 121.219 120.570 -0.001 0.000 2.179 1088 I HA -0.299 3.871 4.170 -0.001 0.000 0.242 1088 I C 2.347 178.483 176.117 0.032 0.000 1.088 1088 I CA 1.076 62.338 61.300 -0.063 0.000 1.357 1088 I CB -0.253 37.558 38.000 -0.315 0.000 1.051 1088 I HN 0.139 nan 8.210 nan 0.000 0.409 1089 M N 0.346 120.003 119.600 0.094 0.000 2.144 1089 M HA -0.215 4.265 4.480 -0.001 0.000 0.260 1089 M C 1.917 178.259 176.300 0.071 0.000 1.067 1089 M CA 1.697 57.056 55.300 0.099 0.000 1.095 1089 M CB -1.672 30.985 32.600 0.094 0.000 1.365 1089 M HN 0.281 nan 8.290 nan 0.000 0.406 1090 N N 0.478 119.210 118.700 0.054 0.000 2.244 1090 N HA -0.020 4.719 4.740 -0.001 0.000 0.183 1090 N C 1.887 177.419 175.510 0.037 0.000 1.016 1090 N CA 0.932 54.005 53.050 0.038 0.000 0.866 1090 N CB -0.338 38.164 38.487 0.026 0.000 0.980 1090 N HN 0.397 nan 8.380 nan 0.000 0.430 1091 L N 0.421 121.673 121.223 0.048 0.000 2.056 1091 L HA -0.073 4.267 4.340 -0.001 0.000 0.207 1091 L C 2.125 179.093 176.870 0.163 0.000 1.078 1091 L CA 0.753 55.639 54.840 0.077 0.000 0.749 1091 L CB -0.497 41.607 42.059 0.075 0.000 0.901 1091 L HN 0.106 nan 8.230 nan 0.000 0.433 1092 L N -0.484 120.835 121.223 0.161 0.000 2.127 1092 L HA -0.201 4.138 4.340 -0.001 0.000 0.211 1092 L C 2.748 179.736 176.870 0.197 0.000 1.089 1092 L CA 1.149 56.120 54.840 0.218 0.000 0.757 1092 L CB -0.526 41.607 42.059 0.123 0.000 0.899 1092 L HN 0.225 nan 8.230 nan 0.000 0.434 1093 R N -0.044 120.517 120.500 0.102 0.000 2.193 1093 R HA -0.136 4.204 4.340 -0.001 0.000 0.229 1093 R C 2.071 178.372 176.300 0.002 0.000 1.110 1093 R CA 0.878 57.012 56.100 0.056 0.000 0.988 1093 R CB -0.156 30.164 30.300 0.033 0.000 0.871 1093 R HN 0.449 nan 8.270 nan 0.000 0.458 1094 E N -0.161 119.995 120.200 -0.075 0.000 2.153 1094 E HA -0.205 4.144 4.350 -0.001 0.000 0.194 1094 E C 1.293 177.679 176.600 -0.358 0.000 0.988 1094 E CA 1.370 57.596 56.400 -0.290 0.000 0.811 1094 E CB -0.169 29.198 29.700 -0.555 0.000 0.746 1094 E HN 0.526 nan 8.360 nan 0.000 0.466 1095 Y N 0.013 120.321 120.300 0.014 0.000 2.509 1095 Y HA 0.222 4.772 4.550 -0.001 0.000 0.270 1095 Y C 1.041 176.956 175.900 0.026 0.000 1.103 1095 Y CA 0.153 58.264 58.100 0.018 0.000 1.278 1095 Y CB 0.889 39.359 38.460 0.016 0.000 1.087 1095 Y HN -0.182 nan 8.280 nan 0.000 0.542 1096 S N -0.828 114.957 115.700 0.142 0.000 2.560 1096 S HA 0.268 4.737 4.470 -0.001 0.000 0.283 1096 S C -0.559 174.084 174.600 0.072 0.000 1.141 1096 S CA -0.632 57.628 58.200 0.099 0.000 0.902 1096 S CB 0.914 64.184 63.200 0.117 0.000 1.104 1096 S HN 0.163 nan 8.310 nan 0.000 0.454 1097 E N 1.981 122.212 120.200 0.051 0.000 2.465 1097 E HA 0.180 4.530 4.350 -0.001 0.000 0.191 1097 E C -0.371 176.259 176.600 0.050 0.000 1.053 1097 E CA 0.289 56.715 56.400 0.042 0.000 0.869 1097 E CB 0.261 29.977 29.700 0.026 0.000 0.977 1097 E HN 0.385 nan 8.360 nan 0.000 0.483 1098 K N 1.308 121.745 120.400 0.062 0.000 2.290 1098 K HA 0.357 4.676 4.320 -0.001 0.000 0.250 1098 K C -0.722 175.933 176.600 0.092 0.000 1.092 1098 K CA -0.164 56.163 56.287 0.068 0.000 1.006 1098 K CB 0.893 33.431 32.500 0.064 0.000 1.549 1098 K HN 0.070 nan 8.250 nan 0.000 0.436 1099 I N 0.889 121.514 120.570 0.091 0.000 2.545 1099 I HA 0.228 4.397 4.170 -0.001 0.000 0.292 1099 I C -1.233 174.956 176.117 0.120 0.000 1.040 1099 I CA -0.623 60.745 61.300 0.113 0.000 1.068 1099 I CB 1.802 39.860 38.000 0.097 0.000 1.251 1099 I HN 0.487 nan 8.210 nan 0.000 0.424 1100 E N 8.259 128.563 120.200 0.173 0.000 2.207 1100 E HA 0.381 4.730 4.350 -0.001 0.000 0.250 1100 E C -1.238 175.489 176.600 0.212 0.000 0.890 1100 E CA -0.661 55.850 56.400 0.186 0.000 0.749 1100 E CB 1.062 30.882 29.700 0.200 0.000 1.193 1100 E HN 0.590 nan 8.360 nan 0.000 0.423 1101 I N 4.186 124.832 120.570 0.127 0.000 2.505 1101 I HA 0.079 4.248 4.170 -0.001 0.000 0.287 1101 I C 1.013 177.196 176.117 0.109 0.000 1.104 1101 I CA 0.159 61.509 61.300 0.083 0.000 1.387 1101 I CB 1.256 39.289 38.000 0.054 0.000 1.404 1101 I HN 0.658 nan 8.210 nan 0.000 0.528 1102 A N 4.792 127.679 122.820 0.112 0.000 2.140 1102 A HA 0.269 4.589 4.320 -0.001 0.000 0.209 1102 A C 0.831 178.459 177.584 0.072 0.000 1.181 1102 A CA 0.793 52.923 52.037 0.155 0.000 0.824 1102 A CB 0.110 19.301 19.000 0.317 0.000 0.879 1102 A HN 0.742 nan 8.150 nan 0.000 0.480 1103 S N -2.501 113.200 115.700 0.002 0.000 2.683 1103 S HA 0.360 4.829 4.470 -0.001 0.000 0.269 1103 S C 0.565 175.136 174.600 -0.048 0.000 1.165 1103 S CA 0.127 58.322 58.200 -0.009 0.000 0.840 1103 S CB -0.223 62.965 63.200 -0.020 0.000 1.169 1103 S HN 0.310 nan 8.310 nan 0.000 0.490 1104 I N 1.243 121.821 120.570 0.013 0.000 2.423 1104 I HA -0.135 4.034 4.170 -0.001 0.000 0.254 1104 I C 0.929 176.942 176.117 -0.173 0.000 1.151 1104 I CA 2.388 63.731 61.300 0.072 0.000 1.421 1104 I CB -0.101 38.078 38.000 0.299 0.000 1.079 1104 I HN 0.813 nan 8.210 nan 0.000 0.431 1105 D N -0.540 119.594 120.400 -0.442 0.000 2.620 1105 D HA 0.124 4.763 4.640 -0.001 0.000 0.260 1105 D C -0.360 175.099 176.300 -1.401 0.000 1.367 1105 D CA -0.217 53.049 54.000 -1.224 0.000 0.805 1105 D CB 0.031 40.259 40.800 -0.953 0.000 1.096 1105 D HN 0.375 nan 8.370 nan 0.000 0.488 1106 E N -0.129 119.577 120.200 -0.824 0.000 2.331 1106 E HA 0.744 5.094 4.350 -0.001 0.000 0.275 1106 E C -1.398 174.918 176.600 -0.472 0.000 0.895 1106 E CA -1.236 54.719 56.400 -0.741 0.000 0.753 1106 E CB 2.451 31.918 29.700 -0.389 0.000 1.216 1106 E HN 0.184 nan 8.360 nan 0.000 0.434 1107 A N 1.922 124.416 122.820 -0.543 0.000 2.515 1107 A HA 0.665 4.985 4.320 -0.001 0.000 0.298 1107 A C -1.923 175.520 177.584 -0.235 0.000 1.059 1107 A CA -0.649 51.255 52.037 -0.223 0.000 0.698 1107 A CB 0.833 19.770 19.000 -0.106 0.000 1.289 1107 A HN 0.551 nan 8.150 nan 0.000 0.404 1108 Y N 0.804 121.194 120.300 0.151 0.000 2.341 1108 Y HA 0.603 5.153 4.550 -0.001 0.000 0.337 1108 Y C -0.357 175.616 175.900 0.121 0.000 1.014 1108 Y CA -0.604 57.618 58.100 0.203 0.000 1.111 1108 Y CB 1.650 40.238 38.460 0.212 0.000 1.194 1108 Y HN 0.459 nan 8.280 nan 0.000 0.462 1109 L N 3.564 124.940 121.223 0.255 0.000 2.313 1109 L HA 0.302 4.641 4.340 -0.001 0.000 0.283 1109 L C -0.403 176.576 176.870 0.182 0.000 1.013 1109 L CA -0.667 54.283 54.840 0.182 0.000 0.816 1109 L CB 1.260 43.398 42.059 0.132 0.000 1.236 1109 L HN 0.556 nan 8.230 nan 0.000 0.419 1110 D N 3.756 124.244 120.400 0.147 0.000 2.339 1110 D HA 0.201 4.841 4.640 -0.001 0.000 0.241 1110 D C 0.606 176.967 176.300 0.102 0.000 1.183 1110 D CA -0.094 53.978 54.000 0.119 0.000 0.859 1110 D CB 0.863 41.717 40.800 0.090 0.000 1.067 1110 D HN 0.551 nan 8.370 nan 0.000 0.484 1111 I N 0.628 121.259 120.570 0.102 0.000 3.927 1111 I HA 0.164 4.333 4.170 -0.001 0.000 0.332 1111 I C 1.287 177.442 176.117 0.063 0.000 1.485 1111 I CA -0.555 60.798 61.300 0.089 0.000 1.131 1111 I CB 0.409 38.469 38.000 0.099 0.000 1.092 1111 I HN -0.020 nan 8.210 nan 0.000 0.410 1112 S N 1.792 117.524 115.700 0.053 0.000 2.374 1112 S HA -0.173 4.297 4.470 -0.001 0.000 0.227 1112 S C 1.231 175.842 174.600 0.018 0.000 1.037 1112 S CA 2.022 60.238 58.200 0.026 0.000 1.024 1112 S CB -0.268 62.947 63.200 0.025 0.000 0.861 1112 S HN 0.616 nan 8.310 nan 0.000 0.456 1113 D N -0.208 120.208 120.400 0.027 0.000 2.363 1113 D HA 0.122 4.762 4.640 -0.001 0.000 0.214 1113 D C 1.269 177.586 176.300 0.029 0.000 1.093 1113 D CA 0.171 54.184 54.000 0.022 0.000 0.837 1113 D CB 0.271 41.084 40.800 0.022 0.000 0.948 1113 D HN 0.213 nan 8.370 nan 0.000 0.507 1114 K N 0.433 120.858 120.400 0.040 0.000 2.335 1114 K HA 0.123 4.442 4.320 -0.001 0.000 0.195 1114 K C 0.922 177.551 176.600 0.048 0.000 1.058 1114 K CA 0.327 56.645 56.287 0.051 0.000 0.988 1114 K CB 1.515 34.061 32.500 0.076 0.000 0.880 1114 K HN 0.131 nan 8.250 nan 0.000 0.513 1115 V N -2.141 117.795 119.914 0.038 0.000 3.114 1115 V HA 0.461 4.580 4.120 -0.001 0.000 0.308 1115 V C 0.427 176.522 176.094 0.002 0.000 1.168 1115 V CA -1.027 61.292 62.300 0.030 0.000 1.015 1115 V CB 2.411 34.263 31.823 0.047 0.000 1.050 1115 V HN -0.036 nan 8.190 nan 0.000 0.433 1116 R N 1.112 121.609 120.500 -0.005 0.000 2.237 1116 R HA 0.345 4.684 4.340 -0.001 0.000 0.195 1116 R C -0.398 175.863 176.300 -0.065 0.000 0.956 1116 R CA 0.860 56.944 56.100 -0.027 0.000 1.029 1116 R CB 0.146 30.438 30.300 -0.013 0.000 0.972 1116 R HN 1.009 nan 8.270 nan 0.000 0.493 1117 D N -3.049 117.311 120.400 -0.067 0.000 2.713 1117 D HA 0.016 4.656 4.640 -0.001 0.000 0.306 1117 D C 0.040 176.307 176.300 -0.055 0.000 1.299 1117 D CA -0.775 53.155 54.000 -0.118 0.000 0.823 1117 D CB -0.101 40.672 40.800 -0.046 0.000 1.353 1117 D HN -0.276 nan 8.370 nan 0.000 0.447 1118 Y N 0.177 120.504 120.300 0.044 0.000 2.314 1118 Y HA 0.092 4.642 4.550 -0.001 0.000 0.293 1118 Y C 2.344 178.297 175.900 0.087 0.000 1.129 1118 Y CA 1.021 59.160 58.100 0.065 0.000 1.201 1118 Y CB -0.238 38.255 38.460 0.055 0.000 0.999 1118 Y HN 0.249 nan 8.280 nan 0.000 0.541 1119 R N 0.109 120.728 120.500 0.198 0.000 2.083 1119 R HA -0.181 4.158 4.340 -0.001 0.000 0.237 1119 R C 2.013 178.404 176.300 0.151 0.000 1.137 1119 R CA 1.770 57.947 56.100 0.128 0.000 0.951 1119 R CB -0.412 29.923 30.300 0.059 0.000 0.851 1119 R HN 0.440 nan 8.270 nan 0.000 0.434 1120 E N 0.417 120.688 120.200 0.118 0.000 2.150 1120 E HA -0.134 4.216 4.350 -0.001 0.000 0.193 1120 E C 2.042 178.719 176.600 0.129 0.000 0.985 1120 E CA 0.899 57.362 56.400 0.105 0.000 0.814 1120 E CB -0.035 29.706 29.700 0.068 0.000 0.752 1120 E HN 0.359 nan 8.360 nan 0.000 0.466 1121 A N 0.767 123.684 122.820 0.162 0.000 1.902 1121 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 1121 A C 1.983 179.666 177.584 0.164 0.000 1.181 1121 A CA 1.290 53.431 52.037 0.173 0.000 0.623 1121 A CB -0.817 18.343 19.000 0.266 0.000 0.818 1121 A HN 0.378 nan 8.150 nan 0.000 0.443 1122 Y N 1.084 121.435 120.300 0.085 0.000 2.128 1122 Y HA -0.313 4.236 4.550 -0.001 0.000 0.284 1122 Y C 2.385 178.296 175.900 0.020 0.000 1.154 1122 Y CA 2.362 60.489 58.100 0.045 0.000 1.149 1122 Y CB -0.364 38.121 38.460 0.041 0.000 0.976 1122 Y HN 0.511 nan 8.280 nan 0.000 0.505 1123 N N 0.028 118.869 118.700 0.234 0.000 2.149 1123 N HA -0.218 4.521 4.740 -0.001 0.000 0.188 1123 N C 1.711 177.237 175.510 0.026 0.000 1.019 1123 N CA 1.484 54.613 53.050 0.131 0.000 0.857 1123 N CB -0.509 38.050 38.487 0.121 0.000 0.997 1123 N HN 0.404 nan 8.380 nan 0.000 0.426 1124 L N 0.082 121.315 121.223 0.016 0.000 2.093 1124 L HA 0.182 4.522 4.340 -0.001 0.000 0.208 1124 L C 2.130 178.900 176.870 -0.167 0.000 1.085 1124 L CA 1.907 56.719 54.840 -0.047 0.000 0.755 1124 L CB -1.206 40.856 42.059 0.004 0.000 0.904 1124 L HN 0.282 nan 8.230 nan 0.000 0.435 1125 G N -0.415 108.292 108.800 -0.156 0.000 2.440 1125 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.218 1125 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.218 1125 G C 1.603 176.355 174.900 -0.246 0.000 1.154 1125 G CA 1.136 46.100 45.100 -0.226 0.000 0.767 1125 G HN 0.427 nan 8.290 nan 0.000 0.552 1126 L N -0.221 120.868 121.223 -0.223 0.000 2.027 1126 L HA -0.027 4.313 4.340 -0.001 0.000 0.206 1126 L C 2.775 179.571 176.870 -0.123 0.000 1.074 1126 L CA 1.364 56.108 54.840 -0.159 0.000 0.745 1126 L CB -0.456 41.555 42.059 -0.080 0.000 0.898 1126 L HN 0.284 nan 8.230 nan 0.000 0.433 1127 E N 0.472 120.603 120.200 -0.114 0.000 2.097 1127 E HA -0.253 4.096 4.350 -0.001 0.000 0.196 1127 E C 2.232 178.716 176.600 -0.193 0.000 1.000 1127 E CA 1.388 57.733 56.400 -0.093 0.000 0.804 1127 E CB -0.016 29.662 29.700 -0.035 0.000 0.740 1127 E HN 0.430 nan 8.360 nan 0.000 0.454 1128 I N 0.417 120.753 120.570 -0.391 0.000 2.163 1128 I HA -0.269 3.900 4.170 -0.001 0.000 0.240 1128 I C 2.350 178.332 176.117 -0.225 0.000 1.081 1128 I CA 1.105 62.121 61.300 -0.472 0.000 1.353 1128 I CB -0.173 37.489 38.000 -0.563 0.000 1.054 1128 I HN 0.017 nan 8.210 nan 0.000 0.407 1129 K N 0.705 120.992 120.400 -0.189 0.000 2.044 1129 K HA -0.212 4.107 4.320 -0.001 0.000 0.210 1129 K C 1.933 178.475 176.600 -0.096 0.000 1.049 1129 K CA 1.842 58.049 56.287 -0.134 0.000 0.927 1129 K CB -0.278 32.147 32.500 -0.125 0.000 0.713 1129 K HN 0.258 nan 8.250 nan 0.000 0.443 1130 N N 0.969 119.622 118.700 -0.078 0.000 2.120 1130 N HA -0.176 4.564 4.740 -0.001 0.000 0.188 1130 N C 1.640 177.135 175.510 -0.026 0.000 1.024 1130 N CA 1.233 54.258 53.050 -0.042 0.000 0.852 1130 N CB -0.198 38.275 38.487 -0.023 0.000 1.003 1130 N HN 0.076 nan 8.380 nan 0.000 0.424 1131 K N 1.240 121.632 120.400 -0.013 0.000 2.026 1131 K HA 0.081 4.401 4.320 -0.001 0.000 0.208 1131 K C 1.900 178.494 176.600 -0.010 0.000 1.048 1131 K CA 0.857 57.159 56.287 0.024 0.000 0.929 1131 K CB -0.391 32.178 32.500 0.115 0.000 0.713 1131 K HN 0.138 nan 8.250 nan 0.000 0.439 1132 I N 0.381 120.922 120.570 -0.049 0.000 2.226 1132 I HA -0.246 3.924 4.170 -0.001 0.000 0.245 1132 I C 2.146 178.211 176.117 -0.087 0.000 1.100 1132 I CA 0.741 61.984 61.300 -0.095 0.000 1.374 1132 I CB -0.299 37.598 38.000 -0.171 0.000 1.057 1132 I HN 0.162 nan 8.210 nan 0.000 0.413 1133 L N 0.918 122.098 121.223 -0.072 0.000 2.046 1133 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 1133 L C 2.378 179.229 176.870 -0.033 0.000 1.077 1133 L CA 1.938 56.747 54.840 -0.052 0.000 0.747 1133 L CB -0.510 41.523 42.059 -0.042 0.000 0.896 1133 L HN 0.190 nan 8.230 nan 0.000 0.432 1134 E N -0.946 119.240 120.200 -0.023 0.000 2.047 1134 E HA -0.194 4.156 4.350 -0.001 0.000 0.191 1134 E C 2.066 178.659 176.600 -0.012 0.000 0.987 1134 E CA 1.165 57.558 56.400 -0.011 0.000 0.799 1134 E CB -0.009 29.690 29.700 -0.002 0.000 0.752 1134 E HN 0.359 nan 8.360 nan 0.000 0.449 1135 K N 0.153 120.543 120.400 -0.017 0.000 2.137 1135 K HA -0.009 4.310 4.320 -0.001 0.000 0.202 1135 K C 1.520 178.107 176.600 -0.022 0.000 1.052 1135 K CA 0.846 57.124 56.287 -0.015 0.000 0.961 1135 K CB 0.337 32.830 32.500 -0.012 0.000 0.741 1135 K HN 0.038 nan 8.250 nan 0.000 0.452 1136 E N -0.054 120.124 120.200 -0.038 0.000 2.572 1136 E HA 0.072 4.421 4.350 -0.001 0.000 0.220 1136 E C -0.256 176.323 176.600 -0.036 0.000 0.945 1136 E CA -0.015 56.361 56.400 -0.040 0.000 1.070 1136 E CB 0.809 30.468 29.700 -0.069 0.000 1.090 1136 E HN 0.027 nan 8.360 nan 0.000 0.506 1137 K N 0.650 121.028 120.400 -0.037 0.000 3.230 1137 K HA -0.160 4.160 4.320 -0.001 0.000 0.285 1137 K C -0.156 176.420 176.600 -0.039 0.000 1.196 1137 K CA 0.528 56.798 56.287 -0.028 0.000 0.838 1137 K CB -1.468 31.025 32.500 -0.012 0.000 1.262 1137 K HN 0.152 nan 8.250 nan 0.000 0.492 1138 I N 1.762 122.290 120.570 -0.070 0.000 2.378 1138 I HA 0.110 4.279 4.170 -0.001 0.000 0.291 1138 I C 1.184 177.236 176.117 -0.107 0.000 0.992 1138 I CA -0.359 60.885 61.300 -0.093 0.000 1.154 1138 I CB 1.664 39.581 38.000 -0.137 0.000 1.315 1138 I HN 0.110 nan 8.210 nan 0.000 0.448 1139 T N 4.706 119.214 114.554 -0.078 0.000 2.897 1139 T HA 0.633 4.983 4.350 -0.001 0.000 0.294 1139 T C -0.043 174.626 174.700 -0.052 0.000 1.004 1139 T CA -0.496 61.570 62.100 -0.056 0.000 1.106 1139 T CB 1.457 70.319 68.868 -0.010 0.000 0.949 1139 T HN 0.472 nan 8.240 nan 0.000 0.520 1140 V N -0.247 119.640 119.914 -0.045 0.000 3.102 1140 V HA 0.857 4.976 4.120 -0.001 0.000 0.312 1140 V C -0.361 175.718 176.094 -0.026 0.000 1.135 1140 V CA -0.950 61.347 62.300 -0.005 0.000 1.022 1140 V CB 1.841 33.663 31.823 -0.002 0.000 1.056 1140 V HN 1.012 nan 8.190 nan 0.000 0.436 1141 T N 1.829 116.368 114.554 -0.026 0.000 2.823 1141 T HA 0.701 5.051 4.350 -0.001 0.000 0.279 1141 T C -0.595 174.059 174.700 -0.076 0.000 0.998 1141 T CA -0.352 61.725 62.100 -0.038 0.000 0.994 1141 T CB 1.538 70.409 68.868 0.004 0.000 0.960 1141 T HN 0.743 nan 8.240 nan 0.000 0.448 1142 V N 2.468 122.339 119.914 -0.071 0.000 2.448 1142 V HA 0.762 4.882 4.120 -0.001 0.000 0.295 1142 V C 0.558 176.654 176.094 0.002 0.000 1.025 1142 V CA -0.665 61.591 62.300 -0.073 0.000 0.859 1142 V CB 1.803 33.552 31.823 -0.124 0.000 0.988 1142 V HN 1.034 nan 8.190 nan 0.000 0.431 1143 G N 4.630 113.489 108.800 0.098 0.000 2.415 1143 G HA2 0.787 4.747 3.960 -0.001 0.000 0.327 1143 G HA3 0.787 4.747 3.960 -0.001 0.000 0.327 1143 G C -1.127 173.856 174.900 0.139 0.000 1.182 1143 G CA -0.472 44.711 45.100 0.137 0.000 0.924 1143 G HN 0.593 nan 8.290 nan 0.000 0.470 1144 I N 1.328 121.954 120.570 0.094 0.000 2.499 1144 I HA 0.565 4.734 4.170 -0.001 0.000 0.288 1144 I C 0.013 176.175 176.117 0.074 0.000 1.048 1144 I CA -0.374 60.997 61.300 0.119 0.000 1.062 1144 I CB 2.266 40.334 38.000 0.113 0.000 1.238 1144 I HN 0.591 nan 8.210 nan 0.000 0.426 1145 S N 3.377 119.188 115.700 0.185 0.000 2.873 1145 S HA 0.321 4.791 4.470 -0.001 0.000 0.303 1145 S C 0.248 175.056 174.600 0.347 0.000 1.222 1145 S CA -0.577 57.735 58.200 0.187 0.000 0.923 1145 S CB 1.270 64.569 63.200 0.165 0.000 1.286 1145 S HN 0.739 nan 8.310 nan 0.000 0.571 1146 K N 0.352 120.941 120.400 0.315 0.000 2.361 1146 K HA 0.146 4.466 4.320 -0.001 0.000 0.196 1146 K C 0.208 176.962 176.600 0.257 0.000 1.039 1146 K CA 0.699 57.155 56.287 0.281 0.000 1.001 1146 K CB -0.321 32.311 32.500 0.220 0.000 0.795 1146 K HN 0.481 nan 8.250 nan 0.000 0.495 1147 N N -0.584 118.301 118.700 0.309 0.000 3.039 1147 N HA 0.139 4.879 4.740 -0.001 0.000 0.257 1147 N C -0.327 175.327 175.510 0.241 0.000 1.497 1147 N CA -1.028 52.201 53.050 0.298 0.000 0.861 1147 N CB 1.095 39.832 38.487 0.416 0.000 1.479 1147 N HN -0.236 nan 8.380 nan 0.000 0.547 1148 K N -0.498 120.015 120.400 0.188 0.000 2.097 1148 K HA -0.004 4.316 4.320 -0.001 0.000 0.205 1148 K C 1.368 177.951 176.600 -0.028 0.000 1.050 1148 K CA 1.444 57.754 56.287 0.038 0.000 0.938 1148 K CB -0.306 32.017 32.500 -0.295 0.000 0.718 1148 K HN 0.340 nan 8.250 nan 0.000 0.442 1149 V N 0.718 120.483 119.914 -0.248 0.000 2.307 1149 V HA -0.213 3.906 4.120 -0.001 0.000 0.245 1149 V C 1.961 177.859 176.094 -0.328 0.000 1.045 1149 V CA 1.707 63.742 62.300 -0.442 0.000 1.024 1149 V CB -0.509 30.796 31.823 -0.864 0.000 0.651 1149 V HN 0.138 nan 8.190 nan 0.000 0.449 1150 F N 0.707 120.603 119.950 -0.090 0.000 2.325 1150 F HA 0.075 4.602 4.527 -0.001 0.000 0.299 1150 F C 2.388 178.175 175.800 -0.021 0.000 1.090 1150 F CA 0.854 58.822 58.000 -0.053 0.000 1.392 1150 F CB -1.006 37.979 39.000 -0.025 0.000 1.053 1150 F HN 0.064 nan 8.300 nan 0.000 0.521 1151 A N 0.095 123.026 122.820 0.185 0.000 1.902 1151 A HA -0.248 4.072 4.320 -0.001 0.000 0.217 1151 A C 2.284 179.889 177.584 0.036 0.000 1.181 1151 A CA 1.951 54.084 52.037 0.160 0.000 0.623 1151 A CB -0.726 18.429 19.000 0.258 0.000 0.818 1151 A HN 0.343 nan 8.150 nan 0.000 0.443 1152 K N -0.324 119.950 120.400 -0.209 0.000 2.026 1152 K HA -0.084 4.236 4.320 -0.001 0.000 0.208 1152 K C 1.810 178.312 176.600 -0.163 0.000 1.048 1152 K CA 1.580 57.549 56.287 -0.531 0.000 0.929 1152 K CB -0.335 31.764 32.500 -0.668 0.000 0.713 1152 K HN 0.482 nan 8.250 nan 0.000 0.439 1153 I N 1.135 121.656 120.570 -0.083 0.000 2.208 1153 I HA -0.291 3.879 4.170 -0.001 0.000 0.245 1153 I C 2.483 178.626 176.117 0.043 0.000 1.097 1153 I CA 1.247 62.544 61.300 -0.006 0.000 1.363 1153 I CB -0.403 37.620 38.000 0.038 0.000 1.051 1153 I HN 0.280 nan 8.210 nan 0.000 0.413 1154 A N 0.791 123.652 122.820 0.068 0.000 1.892 1154 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 1154 A C 2.552 180.181 177.584 0.075 0.000 1.188 1154 A CA 2.182 54.260 52.037 0.068 0.000 0.631 1154 A CB -0.962 18.080 19.000 0.069 0.000 0.822 1154 A HN 0.454 nan 8.150 nan 0.000 0.447 1155 A N -0.056 122.835 122.820 0.119 0.000 1.877 1155 A HA -0.199 4.121 4.320 -0.001 0.000 0.216 1155 A C 1.767 179.415 177.584 0.107 0.000 1.186 1155 A CA 1.931 54.057 52.037 0.149 0.000 0.620 1155 A CB -0.724 18.475 19.000 0.332 0.000 0.822 1155 A HN 0.458 nan 8.150 nan 0.000 0.443 1156 D N -0.413 120.042 120.400 0.091 0.000 2.158 1156 D HA -0.180 4.460 4.640 -0.001 0.000 0.197 1156 D C 1.896 178.230 176.300 0.057 0.000 0.995 1156 D CA 1.515 55.556 54.000 0.068 0.000 0.846 1156 D CB -0.337 40.485 40.800 0.038 0.000 0.941 1156 D HN 0.523 nan 8.370 nan 0.000 0.456 1157 M N -0.339 119.290 119.600 0.048 0.000 2.349 1157 M HA -0.000 4.479 4.480 -0.001 0.000 0.266 1157 M C 1.854 178.174 176.300 0.032 0.000 1.076 1157 M CA 1.002 56.324 55.300 0.037 0.000 1.126 1157 M CB 0.239 32.858 32.600 0.032 0.000 1.392 1157 M HN -0.037 nan 8.290 nan 0.000 0.440 1158 A N 0.651 123.492 122.820 0.035 0.000 2.303 1158 A HA 0.074 4.393 4.320 -0.001 0.000 0.217 1158 A C 0.668 178.259 177.584 0.012 0.000 1.205 1158 A CA -0.274 51.775 52.037 0.021 0.000 0.875 1158 A CB -0.264 18.746 19.000 0.018 0.000 0.910 1158 A HN 0.451 nan 8.150 nan 0.000 0.501 1159 K N 1.399 121.819 120.400 0.033 0.000 2.326 1159 K HA 0.457 4.777 4.320 -0.001 0.000 0.275 1159 K C -2.708 173.873 176.600 -0.031 0.000 1.018 1159 K CA -1.207 55.099 56.287 0.032 0.000 0.962 1159 K CB 0.403 32.965 32.500 0.104 0.000 0.953 1159 K HN 0.058 nan 8.250 nan 0.000 0.475 1160 P HA 0.152 nan 4.420 nan 0.000 0.285 1160 P C -0.891 176.354 177.300 -0.091 0.000 1.285 1160 P CA -0.658 62.355 63.100 -0.145 0.000 0.854 1160 P CB 0.606 32.052 31.700 -0.423 0.000 1.180 1161 N N -1.243 117.436 118.700 -0.036 0.000 2.714 1161 N HA -0.133 4.606 4.740 -0.001 0.000 0.252 1161 N C -0.047 175.438 175.510 -0.040 0.000 1.014 1161 N CA 1.270 54.301 53.050 -0.032 0.000 0.735 1161 N CB -1.353 37.118 38.487 -0.027 0.000 0.924 1161 N HN 0.781 nan 8.380 nan 0.000 0.540 1162 G N -0.400 108.378 108.800 -0.037 0.000 2.735 1162 G HA2 0.812 4.772 3.960 -0.001 0.000 0.301 1162 G HA3 0.812 4.772 3.960 -0.001 0.000 0.301 1162 G C -0.803 174.062 174.900 -0.058 0.000 1.279 1162 G CA -0.515 44.564 45.100 -0.035 0.000 1.019 1162 G HN 0.413 nan 8.290 nan 0.000 0.497 1163 I N -0.677 119.857 120.570 -0.061 0.000 2.722 1163 I HA 0.678 4.847 4.170 -0.001 0.000 0.292 1163 I C -1.924 174.170 176.117 -0.039 0.000 1.267 1163 I CA -0.951 60.278 61.300 -0.118 0.000 1.036 1163 I CB 2.322 40.141 38.000 -0.302 0.000 1.281 1163 I HN 0.520 nan 8.210 nan 0.000 0.423 1164 K N 5.867 126.257 120.400 -0.017 0.000 2.565 1164 K HA 0.569 4.889 4.320 -0.001 0.000 0.251 1164 K C -2.244 174.372 176.600 0.027 0.000 0.956 1164 K CA -0.436 55.876 56.287 0.042 0.000 0.809 1164 K CB 2.095 34.614 32.500 0.032 0.000 1.267 1164 K HN 0.317 nan 8.250 nan 0.000 0.438 1165 V N 5.829 125.762 119.914 0.032 0.000 2.394 1165 V HA 0.496 4.616 4.120 -0.001 0.000 0.282 1165 V C -0.001 175.994 176.094 -0.166 0.000 1.031 1165 V CA -0.670 61.568 62.300 -0.104 0.000 0.881 1165 V CB 1.277 33.012 31.823 -0.146 0.000 0.982 1165 V HN 0.689 nan 8.190 nan 0.000 0.451 1166 I N 5.581 126.026 120.570 -0.208 0.000 2.306 1166 I HA 0.264 4.434 4.170 -0.001 0.000 0.288 1166 I C 0.211 176.119 176.117 -0.348 0.000 1.036 1166 I CA -0.568 60.609 61.300 -0.205 0.000 1.221 1166 I CB 1.050 38.986 38.000 -0.107 0.000 1.385 1166 I HN 0.740 nan 8.210 nan 0.000 0.472 1167 D N 3.965 124.171 120.400 -0.325 0.000 2.414 1167 D HA 0.026 4.665 4.640 -0.001 0.000 0.251 1167 D C 0.610 176.845 176.300 -0.108 0.000 1.252 1167 D CA -0.311 53.535 54.000 -0.256 0.000 0.999 1167 D CB 0.732 41.459 40.800 -0.122 0.000 1.093 1167 D HN 0.285 nan 8.370 nan 0.000 0.515 1168 D N -0.795 119.614 120.400 0.015 0.000 2.144 1168 D HA -0.128 4.511 4.640 -0.001 0.000 0.199 1168 D C 1.725 177.978 176.300 -0.079 0.000 0.984 1168 D CA 1.014 54.998 54.000 -0.027 0.000 0.834 1168 D CB 0.005 40.821 40.800 0.027 0.000 0.955 1168 D HN 0.434 nan 8.370 nan 0.000 0.465 1169 E N 0.603 120.769 120.200 -0.056 0.000 2.106 1169 E HA -0.164 4.185 4.350 -0.001 0.000 0.192 1169 E C 1.966 178.512 176.600 -0.090 0.000 0.984 1169 E CA 0.536 56.899 56.400 -0.062 0.000 0.806 1169 E CB -0.282 29.395 29.700 -0.038 0.000 0.750 1169 E HN 0.505 nan 8.360 nan 0.000 0.458 1170 E N 0.897 121.032 120.200 -0.110 0.000 2.152 1170 E HA -0.101 4.248 4.350 -0.001 0.000 0.192 1170 E C 2.070 178.561 176.600 -0.182 0.000 0.983 1170 E CA 0.535 56.863 56.400 -0.119 0.000 0.818 1170 E CB 0.211 29.846 29.700 -0.109 0.000 0.758 1170 E HN -0.042 nan 8.360 nan 0.000 0.467 1171 V N 1.642 121.379 119.914 -0.296 0.000 2.282 1171 V HA -0.308 3.812 4.120 -0.001 0.000 0.249 1171 V C 2.331 178.237 176.094 -0.313 0.000 1.057 1171 V CA 1.905 63.879 62.300 -0.544 0.000 1.032 1171 V CB -0.448 30.947 31.823 -0.714 0.000 0.645 1171 V HN 0.240 nan 8.190 nan 0.000 0.447 1172 K N -0.168 120.122 120.400 -0.183 0.000 2.057 1172 K HA -0.156 4.163 4.320 -0.001 0.000 0.207 1172 K C 2.210 178.774 176.600 -0.060 0.000 1.049 1172 K CA 1.337 57.567 56.287 -0.095 0.000 0.931 1172 K CB -0.543 31.917 32.500 -0.066 0.000 0.714 1172 K HN 0.373 nan 8.250 nan 0.000 0.440 1173 R N 0.865 121.327 120.500 -0.063 0.000 2.096 1173 R HA -0.017 4.323 4.340 -0.001 0.000 0.235 1173 R C 2.355 178.643 176.300 -0.020 0.000 1.127 1173 R CA 0.902 56.980 56.100 -0.037 0.000 0.968 1173 R CB -0.133 30.144 30.300 -0.037 0.000 0.861 1173 R HN 0.119 nan 8.270 nan 0.000 0.440 1174 L N 0.210 121.418 121.223 -0.024 0.000 2.156 1174 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 1174 L C 2.337 179.247 176.870 0.067 0.000 1.095 1174 L CA 0.756 55.614 54.840 0.030 0.000 0.770 1174 L CB -0.215 41.885 42.059 0.068 0.000 0.914 1174 L HN 0.224 nan 8.230 nan 0.000 0.439 1175 I N -0.334 120.273 120.570 0.062 0.000 2.208 1175 I HA -0.324 3.845 4.170 -0.001 0.000 0.245 1175 I C 2.689 178.828 176.117 0.036 0.000 1.097 1175 I CA 1.440 62.784 61.300 0.074 0.000 1.363 1175 I CB -0.189 37.849 38.000 0.064 0.000 1.051 1175 I HN 0.202 nan 8.210 nan 0.000 0.413 1176 R N -0.040 120.470 120.500 0.018 0.000 2.119 1176 R HA -0.049 4.290 4.340 -0.001 0.000 0.222 1176 R C 1.717 178.023 176.300 0.010 0.000 1.088 1176 R CA 1.023 57.130 56.100 0.010 0.000 0.984 1176 R CB 0.065 30.366 30.300 0.002 0.000 0.884 1176 R HN 0.423 nan 8.270 nan 0.000 0.447 1177 E N -0.320 119.887 120.200 0.012 0.000 2.453 1177 E HA 0.055 4.405 4.350 -0.001 0.000 0.211 1177 E C -0.410 176.198 176.600 0.013 0.000 0.897 1177 E CA -0.317 56.089 56.400 0.009 0.000 1.063 1177 E CB 0.495 30.197 29.700 0.004 0.000 1.080 1177 E HN -0.042 nan 8.360 nan 0.000 0.512 1178 L N 2.986 124.222 121.223 0.023 0.000 2.477 1178 L HA 0.021 4.361 4.340 -0.001 0.000 0.272 1178 L C 0.080 176.958 176.870 0.013 0.000 1.157 1178 L CA 0.250 55.104 54.840 0.023 0.000 0.889 1178 L CB 0.386 42.470 42.059 0.041 0.000 1.158 1178 L HN -0.078 nan 8.230 nan 0.000 0.473 1179 D N 4.021 124.425 120.400 0.008 0.000 2.531 1179 D HA -0.156 4.484 4.640 -0.001 0.000 0.239 1179 D C 1.331 177.631 176.300 0.001 0.000 1.144 1179 D CA 0.459 54.461 54.000 0.004 0.000 0.869 1179 D CB 0.704 41.506 40.800 0.002 0.000 1.160 1179 D HN 0.704 nan 8.370 nan 0.000 0.484 1180 I N 4.091 124.661 120.570 -0.000 0.000 2.335 1180 I HA -0.294 3.875 4.170 -0.001 0.000 0.251 1180 I C 2.189 178.303 176.117 -0.004 0.000 1.129 1180 I CA 1.414 62.711 61.300 -0.004 0.000 1.402 1180 I CB 0.124 38.124 38.000 -0.001 0.000 1.069 1180 I HN 0.553 nan 8.210 nan 0.000 0.424 1181 A N -0.401 122.417 122.820 -0.003 0.000 2.131 1181 A HA -0.222 4.097 4.320 -0.001 0.000 0.220 1181 A C 1.785 179.365 177.584 -0.007 0.000 1.158 1181 A CA 1.867 53.901 52.037 -0.004 0.000 0.665 1181 A CB -0.554 18.443 19.000 -0.004 0.000 0.795 1181 A HN 0.495 nan 8.150 nan 0.000 0.460 1182 D N -0.585 119.810 120.400 -0.008 0.000 2.340 1182 D HA 0.114 4.754 4.640 -0.001 0.000 0.220 1182 D C -0.022 176.263 176.300 -0.025 0.000 1.039 1182 D CA 0.215 54.208 54.000 -0.012 0.000 0.866 1182 D CB 0.288 41.086 40.800 -0.004 0.000 0.913 1182 D HN 0.171 nan 8.370 nan 0.000 0.523 1183 V N 2.868 122.764 119.914 -0.029 0.000 2.530 1183 V HA 0.118 4.238 4.120 -0.001 0.000 0.282 1183 V C -2.038 174.041 176.094 -0.026 0.000 1.048 1183 V CA -1.479 60.789 62.300 -0.054 0.000 0.997 1183 V CB 1.245 33.030 31.823 -0.064 0.000 0.987 1183 V HN -0.112 nan 8.190 nan 0.000 0.477 1184 P HA 0.183 nan 4.420 nan 0.000 0.261 1184 P C 0.866 178.170 177.300 0.006 0.000 1.183 1184 P CA 1.355 64.432 63.100 -0.037 0.000 0.761 1184 P CB 0.420 32.072 31.700 -0.080 0.000 0.785 1185 G N 2.927 111.701 108.800 -0.043 0.000 2.176 1185 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.232 1185 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.232 1185 G C 0.004 174.879 174.900 -0.041 0.000 0.986 1185 G CA -0.539 44.505 45.100 -0.093 0.000 0.643 1185 G HN 0.478 nan 8.290 nan 0.000 0.522 1186 I N 2.599 123.169 120.570 -0.000 0.000 2.412 1186 I HA 0.494 4.664 4.170 -0.001 0.000 0.279 1186 I C 1.273 177.385 176.117 -0.009 0.000 1.063 1186 I CA -0.380 60.924 61.300 0.007 0.000 1.193 1186 I CB 0.032 38.048 38.000 0.026 0.000 1.370 1186 I HN 0.146 nan 8.210 nan 0.000 0.479 1187 G N 4.511 113.301 108.800 -0.017 0.000 2.510 1187 G HA2 0.172 4.132 3.960 -0.001 0.000 0.280 1187 G HA3 0.172 4.132 3.960 -0.001 0.000 0.280 1187 G C 0.744 175.636 174.900 -0.013 0.000 1.386 1187 G CA -0.412 44.677 45.100 -0.017 0.000 1.047 1187 G HN 0.574 nan 8.290 nan 0.000 0.527 1188 N N -0.761 117.931 118.700 -0.014 0.000 2.069 1188 N HA -0.158 4.581 4.740 -0.001 0.000 0.191 1188 N C 2.159 177.663 175.510 -0.011 0.000 1.031 1188 N CA 0.967 54.010 53.050 -0.011 0.000 0.852 1188 N CB -0.104 38.376 38.487 -0.011 0.000 1.018 1188 N HN 0.258 nan 8.380 nan 0.000 0.423 1189 I N 1.217 121.779 120.570 -0.013 0.000 2.142 1189 I HA -0.203 3.967 4.170 -0.001 0.000 0.240 1189 I C 2.193 178.303 176.117 -0.013 0.000 1.078 1189 I CA 1.569 62.861 61.300 -0.014 0.000 1.343 1189 I CB -1.739 36.251 38.000 -0.016 0.000 1.046 1189 I HN 0.175 nan 8.210 nan 0.000 0.405 1190 T N 1.470 116.017 114.554 -0.012 0.000 2.746 1190 T HA -0.084 4.265 4.350 -0.001 0.000 0.267 1190 T C 2.075 176.772 174.700 -0.005 0.000 1.039 1190 T CA 1.448 63.543 62.100 -0.008 0.000 1.142 1190 T CB -0.390 68.475 68.868 -0.005 0.000 0.866 1190 T HN 0.441 nan 8.240 nan 0.000 0.444 1191 A N 1.769 124.586 122.820 -0.005 0.000 1.908 1191 A HA -0.147 4.172 4.320 -0.001 0.000 0.218 1191 A C 2.339 179.920 177.584 -0.004 0.000 1.181 1191 A CA 1.311 53.346 52.037 -0.003 0.000 0.627 1191 A CB -0.345 18.652 19.000 -0.004 0.000 0.818 1191 A HN 0.312 nan 8.150 nan 0.000 0.445 1192 E N -0.015 120.181 120.200 -0.006 0.000 2.158 1192 E HA -0.091 4.258 4.350 -0.001 0.000 0.191 1192 E C 1.924 178.520 176.600 -0.008 0.000 0.982 1192 E CA 0.945 57.341 56.400 -0.007 0.000 0.823 1192 E CB -0.270 29.426 29.700 -0.008 0.000 0.766 1192 E HN 0.654 nan 8.360 nan 0.000 0.468 1193 K N 0.469 120.864 120.400 -0.010 0.000 2.097 1193 K HA -0.039 4.280 4.320 -0.001 0.000 0.206 1193 K C 2.282 178.876 176.600 -0.010 0.000 1.049 1193 K CA 0.754 57.034 56.287 -0.012 0.000 0.933 1193 K CB -0.079 32.412 32.500 -0.015 0.000 0.717 1193 K HN 0.070 nan 8.250 nan 0.000 0.442 1194 L N 0.891 122.110 121.223 -0.007 0.000 2.109 1194 L HA -0.143 4.197 4.340 -0.001 0.000 0.207 1194 L C 2.223 179.092 176.870 -0.003 0.000 1.086 1194 L CA 1.066 55.903 54.840 -0.004 0.000 0.760 1194 L CB -0.242 41.818 42.059 0.001 0.000 0.910 1194 L HN 0.095 nan 8.230 nan 0.000 0.437 1195 K N 0.022 120.420 120.400 -0.003 0.000 2.097 1195 K HA -0.144 4.175 4.320 -0.001 0.000 0.206 1195 K C 2.026 178.623 176.600 -0.004 0.000 1.049 1195 K CA 0.874 57.159 56.287 -0.003 0.000 0.933 1195 K CB -0.043 32.455 32.500 -0.003 0.000 0.717 1195 K HN 0.168 nan 8.250 nan 0.000 0.442 1196 K N 0.909 121.306 120.400 -0.006 0.000 2.211 1196 K HA -0.037 4.283 4.320 -0.001 0.000 0.203 1196 K C 1.881 178.477 176.600 -0.007 0.000 1.050 1196 K CA 0.780 57.063 56.287 -0.007 0.000 0.945 1196 K CB -0.032 32.462 32.500 -0.009 0.000 0.732 1196 K HN 0.214 nan 8.250 nan 0.000 0.451 1197 L N -0.151 121.067 121.223 -0.007 0.000 2.591 1197 L HA 0.067 4.407 4.340 -0.001 0.000 0.228 1197 L C 0.969 177.838 176.870 -0.002 0.000 1.133 1197 L CA 0.396 55.232 54.840 -0.006 0.000 0.880 1197 L CB -0.222 41.832 42.059 -0.009 0.000 1.033 1197 L HN 0.336 nan 8.230 nan 0.000 0.450 1198 G N 1.062 109.861 108.800 -0.001 0.000 2.148 1198 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.254 1198 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.254 1198 G C 0.146 175.047 174.900 0.002 0.000 0.981 1198 G CA -0.173 44.927 45.100 0.001 0.000 0.670 1198 G HN 0.308 nan 8.290 nan 0.000 0.528 1199 I N 1.372 121.943 120.570 0.002 0.000 2.291 1199 I HA 0.271 4.441 4.170 -0.001 0.000 0.292 1199 I C 0.937 177.056 176.117 0.004 0.000 1.064 1199 I CA -0.607 60.696 61.300 0.005 0.000 1.269 1199 I CB 0.815 38.819 38.000 0.007 0.000 1.418 1199 I HN 0.066 nan 8.210 nan 0.000 0.485 1200 N N 5.297 123.999 118.700 0.004 0.000 2.332 1200 N HA 0.158 4.898 4.740 -0.001 0.000 0.190 1200 N C 0.001 175.513 175.510 0.004 0.000 1.117 1200 N CA 0.235 53.287 53.050 0.003 0.000 0.883 1200 N CB 0.857 39.345 38.487 0.003 0.000 1.089 1200 N HN 0.455 nan 8.380 nan 0.000 0.480 1201 K N 0.550 120.953 120.400 0.006 0.000 2.477 1201 K HA 0.334 4.654 4.320 -0.001 0.000 0.255 1201 K C 0.989 177.593 176.600 0.007 0.000 0.952 1201 K CA -0.618 55.673 56.287 0.007 0.000 0.826 1201 K CB 2.137 34.642 32.500 0.009 0.000 1.331 1201 K HN -0.181 nan 8.250 nan 0.000 0.437 1202 L N 1.020 122.246 121.223 0.006 0.000 2.051 1202 L HA -0.245 4.095 4.340 -0.001 0.000 0.214 1202 L C 2.277 179.153 176.870 0.010 0.000 1.076 1202 L CA 1.439 56.279 54.840 0.001 0.000 0.758 1202 L CB -0.262 41.800 42.059 0.005 0.000 0.890 1202 L HN 0.463 nan 8.230 nan 0.000 0.433 1203 V N -0.099 119.825 119.914 0.017 0.000 2.594 1203 V HA -0.294 3.825 4.120 -0.001 0.000 0.253 1203 V C 1.878 177.982 176.094 0.016 0.000 1.069 1203 V CA 2.141 64.452 62.300 0.017 0.000 1.082 1203 V CB -0.394 31.438 31.823 0.015 0.000 0.680 1203 V HN 0.490 nan 8.190 nan 0.000 0.469 1204 D N 0.212 120.621 120.400 0.014 0.000 2.221 1204 D HA -0.141 4.499 4.640 -0.001 0.000 0.204 1204 D C 2.222 178.535 176.300 0.022 0.000 0.982 1204 D CA 1.835 55.845 54.000 0.015 0.000 0.857 1204 D CB -0.414 40.393 40.800 0.012 0.000 0.934 1204 D HN 0.720 nan 8.370 nan 0.000 0.475 1205 T N -1.768 112.801 114.554 0.025 0.000 3.113 1205 T HA 0.006 4.356 4.350 -0.001 0.000 0.263 1205 T C 1.896 176.628 174.700 0.053 0.000 1.143 1205 T CA 0.278 62.402 62.100 0.040 0.000 1.090 1205 T CB -0.303 68.591 68.868 0.042 0.000 0.922 1205 T HN 0.155 nan 8.240 nan 0.000 0.521 1206 L N 0.332 121.578 121.223 0.038 0.000 2.529 1206 L HA 0.258 4.597 4.340 -0.001 0.000 0.223 1206 L C 1.978 178.869 176.870 0.036 0.000 1.113 1206 L CA 0.259 55.122 54.840 0.037 0.000 0.861 1206 L CB -0.034 42.040 42.059 0.024 0.000 1.012 1206 L HN 0.226 nan 8.230 nan 0.000 0.461 1207 S N -0.294 115.425 115.700 0.032 0.000 2.568 1207 S HA 0.322 4.791 4.470 -0.001 0.000 0.232 1207 S C 0.376 174.994 174.600 0.030 0.000 0.975 1207 S CA -0.198 58.018 58.200 0.027 0.000 0.949 1207 S CB 0.413 63.625 63.200 0.019 0.000 0.829 1207 S HN 0.172 nan 8.310 nan 0.000 0.479 1208 I N 1.821 122.416 120.570 0.041 0.000 2.530 1208 I HA 0.314 4.484 4.170 -0.001 0.000 0.297 1208 I C -0.118 176.037 176.117 0.064 0.000 1.011 1208 I CA -0.760 60.564 61.300 0.040 0.000 1.107 1208 I CB 1.512 39.530 38.000 0.030 0.000 1.285 1208 I HN 0.047 nan 8.210 nan 0.000 0.436 1209 E N 5.592 125.824 120.200 0.054 0.000 2.415 1209 E HA -0.125 4.225 4.350 -0.001 0.000 0.263 1209 E C 0.082 176.743 176.600 0.100 0.000 0.995 1209 E CA 0.034 56.481 56.400 0.077 0.000 0.915 1209 E CB 0.685 30.413 29.700 0.048 0.000 0.951 1209 E HN 0.635 nan 8.360 nan 0.000 0.449 1210 F N 5.494 125.447 119.950 0.006 0.000 2.126 1210 F HA -0.220 4.307 4.527 -0.001 0.000 0.299 1210 F C 1.467 177.272 175.800 0.008 0.000 1.096 1210 F CA 1.871 59.876 58.000 0.008 0.000 1.255 1210 F CB 0.143 39.148 39.000 0.008 0.000 0.997 1210 F HN 0.572 nan 8.300 nan 0.000 0.479 1211 D N 0.272 120.631 120.400 -0.069 0.000 2.178 1211 D HA -0.202 4.437 4.640 -0.001 0.000 0.201 1211 D C 2.205 178.403 176.300 -0.171 0.000 0.980 1211 D CA 1.213 55.121 54.000 -0.155 0.000 0.842 1211 D CB -0.356 40.434 40.800 -0.017 0.000 0.948 1211 D HN 0.368 nan 8.370 nan 0.000 0.472 1212 K N 0.297 120.634 120.400 -0.106 0.000 2.057 1212 K HA -0.119 4.201 4.320 -0.001 0.000 0.206 1212 K C 2.140 178.673 176.600 -0.113 0.000 1.050 1212 K CA 0.468 56.705 56.287 -0.083 0.000 0.935 1212 K CB -0.119 32.358 32.500 -0.038 0.000 0.715 1212 K HN -0.013 nan 8.250 nan 0.000 0.439 1213 L N 2.004 123.142 121.223 -0.142 0.000 2.046 1213 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 1213 L C 2.279 179.018 176.870 -0.218 0.000 1.077 1213 L CA 1.833 56.586 54.840 -0.145 0.000 0.747 1213 L CB -0.492 41.506 42.059 -0.102 0.000 0.896 1213 L HN 0.119 nan 8.230 nan 0.000 0.432 1214 K N -0.802 119.357 120.400 -0.401 0.000 2.032 1214 K HA -0.169 4.151 4.320 -0.001 0.000 0.209 1214 K C 1.980 178.462 176.600 -0.198 0.000 1.048 1214 K CA 1.508 57.564 56.287 -0.385 0.000 0.927 1214 K CB -0.696 31.453 32.500 -0.584 0.000 0.712 1214 K HN 0.515 nan 8.250 nan 0.000 0.441 1215 G N 0.892 109.595 108.800 -0.162 0.000 2.450 1215 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.220 1215 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.220 1215 G C 1.348 176.204 174.900 -0.074 0.000 1.130 1215 G CA 1.086 46.127 45.100 -0.097 0.000 0.760 1215 G HN 0.322 nan 8.290 nan 0.000 0.557 1216 M N 0.417 119.971 119.600 -0.077 0.000 2.299 1216 M HA 0.285 4.765 4.480 -0.001 0.000 0.264 1216 M C 2.110 178.381 176.300 -0.048 0.000 1.095 1216 M CA 1.132 56.399 55.300 -0.054 0.000 1.165 1216 M CB 0.036 32.608 32.600 -0.046 0.000 1.349 1216 M HN 0.327 nan 8.290 nan 0.000 0.446 1217 I N -3.104 117.431 120.570 -0.057 0.000 4.154 1217 I HA 0.576 4.746 4.170 -0.001 0.000 0.334 1217 I C 0.662 176.754 176.117 -0.042 0.000 1.371 1217 I CA 0.006 61.282 61.300 -0.040 0.000 1.110 1217 I CB -0.184 37.803 38.000 -0.022 0.000 1.085 1217 I HN 0.320 nan 8.210 nan 0.000 0.398 1218 G N 2.339 111.101 108.800 -0.064 0.000 2.690 1218 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.686 1218 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.686 1218 G C 0.166 175.034 174.900 -0.054 0.000 1.277 1218 G CA 0.161 45.227 45.100 -0.056 0.000 0.799 1218 G HN 0.503 nan 8.290 nan 0.000 0.613 1219 E N 0.428 120.606 120.200 -0.035 0.000 2.058 1219 E HA -0.083 4.266 4.350 -0.001 0.000 0.194 1219 E C 2.770 179.422 176.600 0.087 0.000 0.997 1219 E CA 2.226 58.635 56.400 0.015 0.000 0.801 1219 E CB -0.236 29.491 29.700 0.046 0.000 0.746 1219 E HN 1.166 nan 8.360 nan 0.000 0.450 1220 A N 0.898 123.753 122.820 0.058 0.000 1.898 1220 A HA -0.169 4.150 4.320 -0.001 0.000 0.216 1220 A C 2.105 179.749 177.584 0.100 0.000 1.181 1220 A CA 1.692 53.771 52.037 0.070 0.000 0.620 1220 A CB -0.362 18.650 19.000 0.020 0.000 0.819 1220 A HN 0.152 nan 8.150 nan 0.000 0.442 1221 K N -0.481 119.958 120.400 0.066 0.000 2.148 1221 K HA 0.049 4.369 4.320 -0.001 0.000 0.204 1221 K C 2.225 178.933 176.600 0.180 0.000 1.050 1221 K CA 0.894 57.246 56.287 0.109 0.000 0.942 1221 K CB -0.249 32.278 32.500 0.044 0.000 0.724 1221 K HN 0.438 nan 8.250 nan 0.000 0.446 1222 A N 1.525 124.421 122.820 0.127 0.000 1.858 1222 A HA -0.222 4.098 4.320 -0.001 0.000 0.216 1222 A C 1.870 179.650 177.584 0.326 0.000 1.190 1222 A CA 1.654 53.790 52.037 0.164 0.000 0.617 1222 A CB -0.356 18.625 19.000 -0.032 0.000 0.827 1222 A HN 0.176 nan 8.150 nan 0.000 0.443 1223 K N -1.817 118.798 120.400 0.357 0.000 2.063 1223 K HA -0.191 4.129 4.320 -0.001 0.000 0.208 1223 K C 1.989 178.725 176.600 0.226 0.000 1.048 1223 K CA 1.798 58.255 56.287 0.283 0.000 0.928 1223 K CB -0.415 32.216 32.500 0.219 0.000 0.713 1223 K HN 0.615 nan 8.250 nan 0.000 0.442 1224 Y N 1.792 122.157 120.300 0.108 0.000 2.097 1224 Y HA -0.244 4.306 4.550 -0.000 0.000 0.282 1224 Y C 1.800 177.741 175.900 0.067 0.000 1.152 1224 Y CA 1.535 59.693 58.100 0.096 0.000 1.136 1224 Y CB -0.380 38.115 38.460 0.059 0.000 0.975 1224 Y HN -0.058 nan 8.280 nan 0.000 0.498 1225 L N -0.344 120.890 121.223 0.019 0.000 2.046 1225 L HA -0.241 4.099 4.340 -0.001 0.000 0.208 1225 L C 2.532 179.362 176.870 -0.066 0.000 1.077 1225 L CA 1.516 56.284 54.840 -0.120 0.000 0.747 1225 L CB -0.640 41.430 42.059 0.018 0.000 0.896 1225 L HN 0.319 nan 8.230 nan 0.000 0.432 1226 I N -0.125 120.470 120.570 0.041 0.000 2.226 1226 I HA -0.308 3.861 4.170 -0.001 0.000 0.245 1226 I C 2.854 178.974 176.117 0.005 0.000 1.100 1226 I CA 1.792 63.117 61.300 0.042 0.000 1.374 1226 I CB -0.353 37.697 38.000 0.083 0.000 1.057 1226 I HN 0.374 nan 8.210 nan 0.000 0.413 1227 S N 1.030 116.735 115.700 0.008 0.000 2.428 1227 S HA -0.090 4.380 4.470 -0.001 0.000 0.230 1227 S C 2.015 176.635 174.600 0.033 0.000 1.014 1227 S CA 0.673 58.889 58.200 0.026 0.000 0.957 1227 S CB -0.533 62.702 63.200 0.058 0.000 0.784 1227 S HN 0.383 nan 8.310 nan 0.000 0.499 1228 L N 1.249 122.423 121.223 -0.081 0.000 2.027 1228 L HA -0.001 4.338 4.340 -0.001 0.000 0.206 1228 L C 3.244 180.129 176.870 0.025 0.000 1.074 1228 L CA 1.275 56.041 54.840 -0.122 0.000 0.745 1228 L CB -0.855 40.926 42.059 -0.464 0.000 0.898 1228 L HN 0.481 nan 8.230 nan 0.000 0.433 1229 A N -0.084 122.729 122.820 -0.013 0.000 1.940 1229 A HA -0.229 4.091 4.320 -0.001 0.000 0.219 1229 A C 2.263 179.875 177.584 0.046 0.000 1.176 1229 A CA 1.589 53.643 52.037 0.029 0.000 0.631 1229 A CB -0.536 18.471 19.000 0.011 0.000 0.814 1229 A HN 0.360 nan 8.150 nan 0.000 0.446 1230 R N -1.193 119.330 120.500 0.038 0.000 2.323 1230 R HA -0.017 4.323 4.340 -0.001 0.000 0.198 1230 R C 0.047 176.379 176.300 0.053 0.000 0.988 1230 R CA 0.590 56.711 56.100 0.034 0.000 1.041 1230 R CB -0.084 30.226 30.300 0.017 0.000 0.926 1230 R HN 0.475 nan 8.270 nan 0.000 0.476 1231 D N 0.852 121.309 120.400 0.096 0.000 2.800 1231 D HA -0.175 4.465 4.640 -0.001 0.000 0.232 1231 D C -0.210 176.158 176.300 0.115 0.000 1.137 1231 D CA 1.052 55.126 54.000 0.124 0.000 0.718 1231 D CB -0.944 39.887 40.800 0.052 0.000 1.084 1231 D HN 0.495 nan 8.370 nan 0.000 0.432 1232 E N -1.102 119.168 120.200 0.116 0.000 2.562 1232 E HA 0.028 4.378 4.350 -0.001 0.000 0.214 1232 E C 0.278 176.936 176.600 0.096 0.000 0.979 1232 E CA -0.504 55.945 56.400 0.081 0.000 1.002 1232 E CB 0.570 30.290 29.700 0.034 0.000 1.048 1232 E HN 0.465 nan 8.360 nan 0.000 0.488 1233 Y N 1.960 122.275 120.300 0.025 0.000 2.632 1233 Y HA 0.039 4.588 4.550 -0.001 0.000 0.329 1233 Y C 0.306 176.222 175.900 0.027 0.000 1.174 1233 Y CA 0.476 58.576 58.100 -0.001 0.000 1.469 1233 Y CB 0.345 38.761 38.460 -0.072 0.000 1.242 1233 Y HN -0.131 nan 8.280 nan 0.000 0.540 1234 N N 3.885 122.341 118.700 -0.406 0.000 2.577 1234 N HA 0.034 4.774 4.740 -0.001 0.000 0.285 1234 N C -1.658 173.646 175.510 -0.344 0.000 1.658 1234 N CA -0.192 52.724 53.050 -0.222 0.000 0.865 1234 N CB 0.109 38.544 38.487 -0.087 0.000 1.419 1234 N HN 0.575 nan 8.380 nan 0.000 0.495 1235 E N 1.044 120.850 120.200 -0.658 0.000 2.344 1235 E HA 0.265 4.614 4.350 -0.001 0.000 0.270 1235 E C -2.086 174.414 176.600 -0.167 0.000 1.021 1235 E CA -1.448 54.713 56.400 -0.398 0.000 0.887 1235 E CB 0.454 29.899 29.700 -0.424 0.000 0.997 1235 E HN 0.328 nan 8.360 nan 0.000 0.429 1236 P HA 0.156 nan 4.420 nan 0.000 0.274 1236 P C -0.256 177.020 177.300 -0.041 0.000 1.237 1236 P CA -0.561 62.508 63.100 -0.053 0.000 0.793 1236 P CB 0.457 32.134 31.700 -0.039 0.000 0.977 1237 I N 2.392 122.958 120.570 -0.007 0.000 2.421 1237 I HA 0.127 4.296 4.170 -0.001 0.000 0.291 1237 I C 1.076 177.207 176.117 0.022 0.000 1.089 1237 I CA 0.406 61.714 61.300 0.014 0.000 1.354 1237 I CB -0.659 37.384 38.000 0.073 0.000 1.413 1237 I HN 0.287 nan 8.210 nan 0.000 0.513 1238 R N 2.898 123.408 120.500 0.017 0.000 2.750 1238 R HA 0.663 5.003 4.340 -0.001 0.000 0.281 1238 R C -0.568 175.757 176.300 0.042 0.000 0.972 1238 R CA -0.912 55.203 56.100 0.025 0.000 0.912 1238 R CB 0.478 30.784 30.300 0.010 0.000 1.187 1238 R HN 0.350 nan 8.270 nan 0.000 0.464 1239 T N 2.596 117.176 114.554 0.043 0.000 2.866 1239 T HA 0.007 4.356 4.350 -0.001 0.000 0.293 1239 T C 0.274 175.002 174.700 0.046 0.000 1.005 1239 T CA 0.203 62.332 62.100 0.048 0.000 1.162 1239 T CB 0.086 68.978 68.868 0.039 0.000 0.968 1239 T HN 0.277 nan 8.240 nan 0.000 0.530 1240 R N 1.869 122.402 120.500 0.056 0.000 2.410 1240 R HA 0.483 4.822 4.340 -0.001 0.000 0.288 1240 R C -0.667 175.665 176.300 0.053 0.000 1.051 1240 R CA -0.592 55.540 56.100 0.054 0.000 1.021 1240 R CB 0.924 31.262 30.300 0.063 0.000 1.032 1240 R HN 0.371 nan 8.270 nan 0.000 0.481 1241 V N 3.965 123.912 119.914 0.056 0.000 2.384 1241 V HA 0.244 4.364 4.120 -0.001 0.000 0.287 1241 V C 0.109 176.259 176.094 0.093 0.000 1.020 1241 V CA -0.930 61.411 62.300 0.069 0.000 0.850 1241 V CB 1.454 33.318 31.823 0.069 0.000 0.987 1241 V HN 0.629 nan 8.190 nan 0.000 0.436 1242 R N 3.360 123.924 120.500 0.107 0.000 2.494 1242 R HA 0.036 4.376 4.340 -0.001 0.000 0.291 1242 R C 0.982 177.442 176.300 0.267 0.000 0.953 1242 R CA 0.811 57.005 56.100 0.158 0.000 1.098 1242 R CB 0.123 30.499 30.300 0.127 0.000 0.911 1242 R HN 0.654 nan 8.270 nan 0.000 0.407 1243 K N 0.454 120.976 120.400 0.204 0.000 2.365 1243 K HA 0.132 4.452 4.320 -0.001 0.000 0.195 1243 K C -0.069 176.522 176.600 -0.015 0.000 1.079 1243 K CA 0.559 56.904 56.287 0.098 0.000 0.979 1243 K CB 0.613 33.119 32.500 0.010 0.000 0.929 1243 K HN 0.707 nan 8.250 nan 0.000 0.523 1244 S N 0.040 115.825 115.700 0.142 0.000 2.579 1244 S HA 0.586 5.056 4.470 -0.001 0.000 0.272 1244 S C -1.119 173.655 174.600 0.289 0.000 1.141 1244 S CA -0.984 57.303 58.200 0.145 0.000 0.843 1244 S CB 1.910 65.117 63.200 0.011 0.000 1.122 1244 S HN -0.080 nan 8.310 nan 0.000 0.468 1245 I N 1.555 122.335 120.570 0.351 0.000 2.512 1245 I HA 0.722 4.892 4.170 -0.001 0.000 0.287 1245 I C 0.389 176.675 176.117 0.282 0.000 1.069 1245 I CA -0.116 61.356 61.300 0.287 0.000 1.056 1245 I CB 1.251 39.410 38.000 0.264 0.000 1.229 1245 I HN 1.109 nan 8.210 nan 0.000 0.429 1246 G N 4.887 113.806 108.800 0.198 0.000 2.725 1246 G HA2 0.798 4.758 3.960 -0.001 0.000 0.288 1246 G HA3 0.798 4.758 3.960 -0.001 0.000 0.288 1246 G C -1.607 173.386 174.900 0.155 0.000 1.399 1246 G CA -0.662 44.541 45.100 0.171 0.000 0.859 1246 G HN 0.431 nan 8.290 nan 0.000 0.479 1247 R N -0.702 119.881 120.500 0.139 0.000 2.535 1247 R HA 0.659 4.999 4.340 -0.001 0.000 0.274 1247 R C -1.978 174.384 176.300 0.102 0.000 1.090 1247 R CA -0.601 55.578 56.100 0.131 0.000 0.930 1247 R CB 1.468 31.867 30.300 0.165 0.000 1.223 1247 R HN 0.621 nan 8.270 nan 0.000 0.441 1248 I N 5.096 125.718 120.570 0.087 0.000 2.545 1248 I HA 0.709 4.879 4.170 -0.001 0.000 0.292 1248 I C -1.057 175.103 176.117 0.072 0.000 1.040 1248 I CA -0.990 60.351 61.300 0.068 0.000 1.068 1248 I CB 1.969 39.995 38.000 0.043 0.000 1.251 1248 I HN 0.578 nan 8.210 nan 0.000 0.424 1249 V N 2.080 122.035 119.914 0.069 0.000 2.962 1249 V HA 0.659 4.778 4.120 -0.001 0.000 0.313 1249 V C -0.433 175.671 176.094 0.017 0.000 1.099 1249 V CA -0.424 61.925 62.300 0.082 0.000 0.971 1249 V CB 1.666 33.586 31.823 0.162 0.000 1.028 1249 V HN 0.686 nan 8.190 nan 0.000 0.430 1250 T N 4.889 119.451 114.554 0.013 0.000 2.837 1250 T HA 0.566 4.915 4.350 -0.001 0.000 0.285 1250 T C 0.044 174.654 174.700 -0.149 0.000 0.984 1250 T CA -0.348 61.714 62.100 -0.063 0.000 1.049 1250 T CB 1.009 69.864 68.868 -0.022 0.000 0.947 1250 T HN 0.711 nan 8.240 nan 0.000 0.472 1251 M N 2.765 122.125 119.600 -0.400 0.000 2.250 1251 M HA 0.258 4.737 4.480 -0.001 0.000 0.344 1251 M C 1.410 177.622 176.300 -0.147 0.000 1.150 1251 M CA -0.497 54.344 55.300 -0.765 0.000 1.147 1251 M CB 0.904 32.946 32.600 -0.930 0.000 1.498 1251 M HN 0.576 nan 8.290 nan 0.000 0.461 1252 K N 1.369 121.851 120.400 0.137 0.000 2.020 1252 K HA -0.170 4.149 4.320 -0.001 0.000 0.212 1252 K C 0.312 176.964 176.600 0.087 0.000 1.050 1252 K CA 1.667 58.047 56.287 0.154 0.000 0.929 1252 K CB -0.026 32.598 32.500 0.207 0.000 0.714 1252 K HN 0.615 nan 8.250 nan 0.000 0.443 1253 R N 0.261 120.799 120.500 0.063 0.000 2.807 1253 R HA 0.347 4.686 4.340 -0.001 0.000 0.276 1253 R C -0.950 175.341 176.300 -0.014 0.000 0.979 1253 R CA -1.113 55.008 56.100 0.035 0.000 0.928 1253 R CB 0.705 31.036 30.300 0.052 0.000 1.191 1253 R HN -0.194 nan 8.270 nan 0.000 0.471 1254 N N 0.654 119.348 118.700 -0.011 0.000 2.345 1254 N HA 0.060 4.799 4.740 -0.001 0.000 0.243 1254 N C -0.672 174.827 175.510 -0.017 0.000 1.246 1254 N CA 0.434 53.469 53.050 -0.025 0.000 0.863 1254 N CB 0.954 39.435 38.487 -0.010 0.000 1.096 1254 N HN 0.642 nan 8.380 nan 0.000 0.446 1255 S N 0.344 116.028 115.700 -0.027 0.000 2.547 1255 S HA 0.468 4.938 4.470 -0.001 0.000 0.270 1255 S C -0.308 174.284 174.600 -0.013 0.000 1.150 1255 S CA -0.761 57.432 58.200 -0.012 0.000 0.850 1255 S CB 1.076 64.275 63.200 -0.001 0.000 1.118 1255 S HN 0.587 nan 8.310 nan 0.000 0.461 1256 R N 1.338 121.835 120.500 -0.004 0.000 2.549 1256 R HA 0.259 4.598 4.340 -0.001 0.000 0.344 1256 R C 0.004 176.306 176.300 0.002 0.000 0.979 1256 R CA -0.213 55.885 56.100 -0.003 0.000 1.140 1256 R CB 0.358 30.657 30.300 -0.002 0.000 1.377 1256 R HN 0.609 nan 8.270 nan 0.000 0.541 1257 N N 1.702 120.407 118.700 0.007 0.000 2.419 1257 N HA -0.003 4.736 4.740 -0.001 0.000 0.264 1257 N C 0.836 176.353 175.510 0.011 0.000 1.031 1257 N CA -0.068 52.989 53.050 0.012 0.000 0.951 1257 N CB 1.449 39.947 38.487 0.018 0.000 1.101 1257 N HN 0.014 nan 8.380 nan 0.000 0.488 1258 L N 4.567 125.794 121.223 0.006 0.000 2.046 1258 L HA -0.057 4.282 4.340 -0.001 0.000 0.208 1258 L C 1.898 178.763 176.870 -0.008 0.000 1.077 1258 L CA 1.836 56.674 54.840 -0.003 0.000 0.747 1258 L CB -0.446 41.615 42.059 0.004 0.000 0.896 1258 L HN 0.594 nan 8.230 nan 0.000 0.432 1259 E N -0.235 119.969 120.200 0.007 0.000 2.204 1259 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 1259 E C 2.067 178.675 176.600 0.013 0.000 0.989 1259 E CA 1.041 57.446 56.400 0.009 0.000 0.824 1259 E CB 0.022 29.734 29.700 0.020 0.000 0.756 1259 E HN 0.694 nan 8.360 nan 0.000 0.477 1260 E N 0.092 120.311 120.200 0.031 0.000 2.112 1260 E HA -0.044 4.305 4.350 -0.001 0.000 0.190 1260 E C 2.049 178.729 176.600 0.133 0.000 0.979 1260 E CA 0.333 56.775 56.400 0.071 0.000 0.814 1260 E CB 0.127 29.872 29.700 0.074 0.000 0.762 1260 E HN 0.185 nan 8.360 nan 0.000 0.460 1261 I N 0.565 121.184 120.570 0.081 0.000 2.500 1261 I HA -0.175 3.995 4.170 -0.001 0.000 0.252 1261 I C 2.325 178.469 176.117 0.044 0.000 1.142 1261 I CA 0.610 61.971 61.300 0.102 0.000 1.451 1261 I CB -0.098 37.905 38.000 0.006 0.000 1.093 1261 I HN -0.004 nan 8.210 nan 0.000 0.430 1262 K N 0.914 121.239 120.400 -0.124 0.000 2.044 1262 K HA -0.192 4.128 4.320 -0.001 0.000 0.210 1262 K C -0.539 175.721 176.600 -0.567 0.000 1.049 1262 K CA 1.949 57.953 56.287 -0.472 0.000 0.927 1262 K CB -1.067 31.165 32.500 -0.446 0.000 0.713 1262 K HN 0.256 nan 8.250 nan 0.000 0.443 1263 P HA -0.133 nan 4.420 nan 0.000 0.218 1263 P C 0.659 177.930 177.300 -0.048 0.000 1.149 1263 P CA 1.178 64.237 63.100 -0.069 0.000 0.817 1263 P CB 0.009 31.641 31.700 -0.114 0.000 0.785 1264 Y N -0.653 119.631 120.300 -0.027 0.000 2.163 1264 Y HA -0.137 4.413 4.550 -0.001 0.000 0.288 1264 Y C 2.322 178.236 175.900 0.024 0.000 1.136 1264 Y CA 0.947 59.054 58.100 0.011 0.000 1.147 1264 Y CB -1.396 37.060 38.460 -0.007 0.000 0.987 1264 Y HN -0.144 nan 8.280 nan 0.000 0.509 1265 L N -0.944 120.348 121.223 0.115 0.000 2.042 1265 L HA -0.221 4.119 4.340 -0.001 0.000 0.210 1265 L C 1.947 178.948 176.870 0.218 0.000 1.076 1265 L CA 1.755 56.634 54.840 0.065 0.000 0.749 1265 L CB -0.912 41.093 42.059 -0.090 0.000 0.893 1265 L HN 0.059 nan 8.230 nan 0.000 0.432 1266 F N 0.122 120.205 119.950 0.221 0.000 2.134 1266 F HA -0.136 4.390 4.527 -0.001 0.000 0.299 1266 F C 2.823 178.779 175.800 0.259 0.000 1.097 1266 F CA 1.472 59.662 58.000 0.316 0.000 1.264 1266 F CB -1.095 38.081 39.000 0.294 0.000 1.001 1266 F HN 0.159 nan 8.300 nan 0.000 0.479 1267 R N 0.378 121.091 120.500 0.354 0.000 2.115 1267 R HA -0.087 4.252 4.340 -0.001 0.000 0.230 1267 R C 2.283 178.718 176.300 0.224 0.000 1.111 1267 R CA 1.054 57.297 56.100 0.239 0.000 0.976 1267 R CB -0.376 30.017 30.300 0.154 0.000 0.870 1267 R HN 0.241 nan 8.270 nan 0.000 0.445 1268 A N 1.044 124.002 122.820 0.231 0.000 1.908 1268 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 1268 A C 2.098 179.835 177.584 0.255 0.000 1.181 1268 A CA 1.319 53.484 52.037 0.213 0.000 0.627 1268 A CB -0.412 18.696 19.000 0.180 0.000 0.818 1268 A HN 0.299 nan 8.150 nan 0.000 0.445 1269 I N -0.593 120.146 120.570 0.282 0.000 2.202 1269 I HA -0.204 3.965 4.170 -0.001 0.000 0.242 1269 I C 2.550 178.813 176.117 0.243 0.000 1.091 1269 I CA 1.259 62.741 61.300 0.304 0.000 1.368 1269 I CB -0.315 37.763 38.000 0.129 0.000 1.058 1269 I HN 0.242 nan 8.210 nan 0.000 0.410 1270 E N 0.930 121.247 120.200 0.195 0.000 2.049 1270 E HA -0.254 4.096 4.350 -0.001 0.000 0.198 1270 E C 2.093 178.818 176.600 0.210 0.000 1.007 1270 E CA 1.557 58.062 56.400 0.175 0.000 0.809 1270 E CB -0.307 29.500 29.700 0.178 0.000 0.749 1270 E HN 0.566 nan 8.360 nan 0.000 0.450 1271 E N 0.336 120.658 120.200 0.203 0.000 2.051 1271 E HA -0.100 4.249 4.350 -0.001 0.000 0.192 1271 E C 2.283 179.036 176.600 0.255 0.000 0.991 1271 E CA 0.968 57.492 56.400 0.206 0.000 0.799 1271 E CB -0.144 29.653 29.700 0.161 0.000 0.748 1271 E HN 0.050 nan 8.360 nan 0.000 0.449 1272 S N 0.462 116.326 115.700 0.274 0.000 2.370 1272 S HA -0.174 4.295 4.470 -0.001 0.000 0.226 1272 S C 1.795 176.491 174.600 0.159 0.000 1.033 1272 S CA 1.019 59.395 58.200 0.294 0.000 1.011 1272 S CB -0.372 63.143 63.200 0.525 0.000 0.852 1272 S HN 0.310 nan 8.310 nan 0.000 0.457 1273 Y N 0.172 120.480 120.300 0.015 0.000 2.293 1273 Y HA -0.153 4.397 4.550 -0.001 0.000 0.291 1273 Y C 2.189 178.053 175.900 -0.060 0.000 1.137 1273 Y CA 1.356 59.355 58.100 -0.167 0.000 1.202 1273 Y CB -0.317 38.015 38.460 -0.212 0.000 0.990 1273 Y HN 0.370 nan 8.280 nan 0.000 0.537 1274 Y N 0.887 121.232 120.300 0.076 0.000 2.181 1274 Y HA -0.211 4.339 4.550 -0.001 0.000 0.288 1274 Y C 2.041 177.925 175.900 -0.027 0.000 1.146 1274 Y CA 1.788 59.906 58.100 0.030 0.000 1.164 1274 Y CB -0.273 38.216 38.460 0.047 0.000 0.982 1274 Y HN -0.074 nan 8.280 nan 0.000 0.515 1275 K N 0.179 120.555 120.400 -0.040 0.000 2.362 1275 K HA -0.120 4.200 4.320 -0.001 0.000 0.200 1275 K C 1.963 178.421 176.600 -0.237 0.000 1.046 1275 K CA 1.075 57.286 56.287 -0.126 0.000 0.952 1275 K CB -0.233 32.289 32.500 0.036 0.000 0.753 1275 K HN 0.403 nan 8.250 nan 0.000 0.466 1276 L N 0.901 121.942 121.223 -0.304 0.000 2.079 1276 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 1276 L C 0.508 177.138 176.870 -0.400 0.000 1.081 1276 L CA 0.936 55.526 54.840 -0.417 0.000 0.752 1276 L CB -0.525 41.159 42.059 -0.626 0.000 0.896 1276 L HN 0.359 nan 8.230 nan 0.000 0.433 1277 D N 0.155 120.336 120.400 -0.364 0.000 2.705 1277 D HA -0.224 4.416 4.640 -0.001 0.000 0.240 1277 D C 0.619 176.768 176.300 -0.251 0.000 1.137 1277 D CA 0.787 54.605 54.000 -0.304 0.000 0.677 1277 D CB -0.479 40.158 40.800 -0.272 0.000 1.049 1277 D HN 0.399 nan 8.370 nan 0.000 0.427 1278 K N -2.181 118.079 120.400 -0.234 0.000 3.578 1278 K HA -0.216 4.103 4.320 -0.001 0.000 0.268 1278 K C 0.621 177.099 176.600 -0.203 0.000 0.986 1278 K CA 1.122 57.302 56.287 -0.178 0.000 1.133 1278 K CB -1.300 31.120 32.500 -0.134 0.000 1.317 1278 K HN 0.530 nan 8.250 nan 0.000 0.517 1279 R N 1.369 121.683 120.500 -0.310 0.000 2.537 1279 R HA 0.210 4.550 4.340 -0.001 0.000 0.280 1279 R C 0.387 176.525 176.300 -0.269 0.000 1.058 1279 R CA 0.049 55.928 56.100 -0.368 0.000 1.057 1279 R CB 0.350 30.180 30.300 -0.783 0.000 0.973 1279 R HN 0.010 nan 8.270 nan 0.000 0.438 1280 I N 5.721 126.247 120.570 -0.074 0.000 2.359 1280 I HA 0.267 4.436 4.170 -0.001 0.000 0.284 1280 I C -2.177 174.060 176.117 0.201 0.000 1.018 1280 I CA -3.245 58.065 61.300 0.017 0.000 1.173 1280 I CB 1.091 39.113 38.000 0.037 0.000 1.326 1280 I HN 0.346 nan 8.210 nan 0.000 0.462 1281 P HA 0.314 nan 4.420 nan 0.000 0.285 1281 P C 0.038 177.462 177.300 0.207 0.000 1.259 1281 P CA -0.429 62.864 63.100 0.321 0.000 0.794 1281 P CB 1.664 33.599 31.700 0.392 0.000 0.940 1282 K N 1.060 121.553 120.400 0.156 0.000 2.361 1282 K HA 0.318 4.638 4.320 -0.001 0.000 0.194 1282 K C 0.644 177.375 176.600 0.219 0.000 1.032 1282 K CA 0.180 56.559 56.287 0.153 0.000 1.048 1282 K CB 0.581 33.143 32.500 0.103 0.000 0.842 1282 K HN 0.533 nan 8.250 nan 0.000 0.526 1283 A N 1.356 124.288 122.820 0.186 0.000 2.401 1283 A HA 0.664 4.983 4.320 -0.001 0.000 0.310 1283 A C -1.364 176.336 177.584 0.193 0.000 1.075 1283 A CA -0.686 51.456 52.037 0.173 0.000 0.746 1283 A CB 1.208 20.267 19.000 0.098 0.000 1.277 1283 A HN 0.203 nan 8.150 nan 0.000 0.425 1284 I N 1.543 122.165 120.570 0.086 0.000 2.582 1284 I HA 0.524 4.694 4.170 -0.001 0.000 0.292 1284 I C -1.333 174.654 176.117 -0.217 0.000 1.066 1284 I CA -0.423 60.832 61.300 -0.075 0.000 1.053 1284 I CB 1.575 39.557 38.000 -0.031 0.000 1.241 1284 I HN 0.778 nan 8.210 nan 0.000 0.421 1285 H N 5.740 124.703 119.070 -0.179 0.000 2.637 1285 H HA 0.491 5.046 4.556 -0.001 0.000 0.363 1285 H C -1.136 174.118 175.328 -0.123 0.000 1.131 1285 H CA -0.741 55.239 56.048 -0.113 0.000 1.183 1285 H CB 2.657 32.364 29.762 -0.092 0.000 1.637 1285 H HN 0.267 nan 8.280 nan 0.000 0.531 1286 V N 3.323 123.253 119.914 0.028 0.000 2.483 1286 V HA 0.247 4.366 4.120 -0.001 0.000 0.295 1286 V C 0.103 176.212 176.094 0.026 0.000 1.035 1286 V CA -0.767 61.540 62.300 0.011 0.000 0.896 1286 V CB 1.753 33.580 31.823 0.008 0.000 0.986 1286 V HN 0.498 nan 8.190 nan 0.000 0.447 1287 V N 1.788 121.710 119.914 0.014 0.000 2.555 1287 V HA 0.981 5.100 4.120 -0.001 0.000 0.302 1287 V C 0.030 176.124 176.094 -0.001 0.000 1.038 1287 V CA -0.868 61.437 62.300 0.008 0.000 0.887 1287 V CB 1.399 33.223 31.823 0.002 0.000 0.991 1287 V HN 1.001 nan 8.190 nan 0.000 0.434 1288 A N 3.450 126.267 122.820 -0.005 0.000 2.343 1288 A HA 0.829 5.149 4.320 -0.001 0.000 0.316 1288 A C -0.622 176.953 177.584 -0.016 0.000 1.104 1288 A CA -0.679 51.348 52.037 -0.015 0.000 0.768 1288 A CB 1.686 20.676 19.000 -0.017 0.000 1.213 1288 A HN 0.979 nan 8.150 nan 0.000 0.456 1289 V N 3.146 123.047 119.914 -0.022 0.000 2.406 1289 V HA 0.400 4.520 4.120 -0.001 0.000 0.272 1289 V C 1.100 177.180 176.094 -0.023 0.000 1.043 1289 V CA 0.086 62.375 62.300 -0.019 0.000 0.915 1289 V CB 0.950 32.762 31.823 -0.019 0.000 0.988 1289 V HN 1.089 nan 8.190 nan 0.000 0.466 1290 T N 1.012 115.556 114.554 -0.017 0.000 2.754 1290 T HA 0.211 4.560 4.350 -0.001 0.000 0.286 1290 T C 1.083 175.775 174.700 -0.013 0.000 0.997 1290 T CA -0.302 61.789 62.100 -0.016 0.000 0.982 1290 T CB 0.922 69.783 68.868 -0.011 0.000 1.027 1290 T HN 0.668 nan 8.240 nan 0.000 0.529 1291 E N 0.819 121.012 120.200 -0.011 0.000 2.097 1291 E HA -0.184 4.166 4.350 -0.001 0.000 0.196 1291 E C 1.049 177.648 176.600 -0.002 0.000 1.000 1291 E CA 1.661 58.057 56.400 -0.006 0.000 0.804 1291 E CB -0.139 29.558 29.700 -0.005 0.000 0.740 1291 E HN 0.820 nan 8.360 nan 0.000 0.454 1292 D N -0.202 120.196 120.400 -0.003 0.000 2.434 1292 D HA -0.005 4.634 4.640 -0.001 0.000 0.232 1292 D C 0.598 176.897 176.300 -0.002 0.000 1.166 1292 D CA -0.175 53.824 54.000 -0.002 0.000 0.830 1292 D CB -0.054 40.745 40.800 -0.003 0.000 0.960 1292 D HN 0.062 nan 8.370 nan 0.000 0.497 1293 L N -0.570 120.652 121.223 -0.002 0.000 4.367 1293 L HA -0.246 4.093 4.340 -0.001 0.000 0.424 1293 L C -0.013 176.853 176.870 -0.006 0.000 1.152 1293 L CA 0.723 55.561 54.840 -0.003 0.000 0.974 1293 L CB -1.560 40.500 42.059 0.001 0.000 2.012 1293 L HN 0.148 nan 8.230 nan 0.000 0.922 1294 D N 0.055 120.451 120.400 -0.007 0.000 2.399 1294 D HA 0.412 5.052 4.640 -0.001 0.000 0.241 1294 D C 0.309 176.604 176.300 -0.009 0.000 1.133 1294 D CA 0.111 54.107 54.000 -0.008 0.000 0.890 1294 D CB 0.556 41.351 40.800 -0.008 0.000 1.201 1294 D HN 0.210 nan 8.370 nan 0.000 0.432 1295 I N 2.842 123.406 120.570 -0.010 0.000 2.339 1295 I HA 0.292 4.461 4.170 -0.001 0.000 0.290 1295 I C -0.527 175.585 176.117 -0.009 0.000 0.994 1295 I CA -0.839 60.455 61.300 -0.010 0.000 1.191 1295 I CB 1.564 39.557 38.000 -0.012 0.000 1.343 1295 I HN -0.009 nan 8.210 nan 0.000 0.458 1296 V N 4.832 124.742 119.914 -0.006 0.000 2.735 1296 V HA 0.657 4.777 4.120 -0.001 0.000 0.310 1296 V C -0.186 175.910 176.094 0.004 0.000 1.061 1296 V CA -0.437 61.862 62.300 -0.002 0.000 0.913 1296 V CB 2.124 33.945 31.823 -0.003 0.000 1.005 1296 V HN 0.886 nan 8.190 nan 0.000 0.428 1297 S N 4.525 120.233 115.700 0.014 0.000 2.618 1297 S HA 0.893 5.362 4.470 -0.001 0.000 0.277 1297 S C -1.236 173.392 174.600 0.047 0.000 1.138 1297 S CA -1.096 57.125 58.200 0.034 0.000 0.844 1297 S CB 2.902 66.130 63.200 0.046 0.000 1.127 1297 S HN 0.563 nan 8.310 nan 0.000 0.474 1298 R N 0.058 120.589 120.500 0.051 0.000 2.651 1298 R HA 0.782 5.122 4.340 -0.001 0.000 0.278 1298 R C -0.237 176.040 176.300 -0.040 0.000 1.010 1298 R CA -0.411 55.699 56.100 0.016 0.000 0.896 1298 R CB 1.776 32.071 30.300 -0.009 0.000 1.211 1298 R HN 1.080 nan 8.270 nan 0.000 0.456 1299 G N 0.550 109.245 108.800 -0.176 0.000 2.733 1299 G HA2 0.730 4.689 3.960 -0.001 0.000 0.288 1299 G HA3 0.730 4.689 3.960 -0.001 0.000 0.288 1299 G C -1.430 173.233 174.900 -0.395 0.000 1.373 1299 G CA -0.607 44.150 45.100 -0.572 0.000 0.895 1299 G HN 0.378 nan 8.290 nan 0.000 0.479 1300 R N -0.602 119.660 120.500 -0.397 0.000 2.651 1300 R HA 0.633 4.972 4.340 -0.001 0.000 0.278 1300 R C -1.314 174.818 176.300 -0.281 0.000 1.010 1300 R CA -0.445 55.467 56.100 -0.314 0.000 0.896 1300 R CB 2.026 32.159 30.300 -0.279 0.000 1.211 1300 R HN 0.546 nan 8.270 nan 0.000 0.456 1301 T N 3.785 118.140 114.554 -0.331 0.000 2.829 1301 T HA 0.539 4.889 4.350 -0.001 0.000 0.280 1301 T C -1.020 173.443 174.700 -0.394 0.000 0.999 1301 T CA -0.279 61.703 62.100 -0.196 0.000 0.983 1301 T CB 0.648 69.455 68.868 -0.101 0.000 0.968 1301 T HN 0.269 nan 8.240 nan 0.000 0.446 1302 F N 2.725 122.598 119.950 -0.128 0.000 2.523 1302 F HA 0.437 4.963 4.527 -0.001 0.000 0.329 1302 F C -1.473 174.204 175.800 -0.205 0.000 1.061 1302 F CA -2.500 55.360 58.000 -0.234 0.000 0.967 1302 F CB 1.516 40.245 39.000 -0.452 0.000 1.218 1302 F HN 0.323 nan 8.300 nan 0.000 0.480 1303 P HA -0.032 nan 4.420 nan 0.000 0.245 1303 P C -0.593 176.770 177.300 0.106 0.000 1.212 1303 P CA 1.108 64.237 63.100 0.047 0.000 0.774 1303 P CB -0.178 31.577 31.700 0.092 0.000 0.999 1304 H N -3.189 115.984 119.070 0.171 0.000 2.977 1304 H HA 0.561 5.117 4.556 -0.001 0.000 0.350 1304 H C -0.178 175.208 175.328 0.095 0.000 1.238 1304 H CA -1.111 55.001 56.048 0.108 0.000 1.124 1304 H CB 0.676 30.485 29.762 0.077 0.000 1.866 1304 H HN -0.157 nan 8.280 nan 0.000 0.550 1305 G N 0.344 109.303 108.800 0.264 0.000 2.554 1305 G HA2 0.346 4.306 3.960 -0.001 0.000 0.238 1305 G HA3 0.346 4.306 3.960 -0.001 0.000 0.238 1305 G C -0.228 174.777 174.900 0.176 0.000 1.259 1305 G CA -0.575 44.633 45.100 0.179 0.000 0.843 1305 G HN 0.520 nan 8.290 nan 0.000 0.582 1306 I N 1.654 122.277 120.570 0.088 0.000 2.328 1306 I HA 0.175 4.344 4.170 -0.001 0.000 0.287 1306 I C 0.897 177.078 176.117 0.108 0.000 1.012 1306 I CA -0.498 60.804 61.300 0.003 0.000 1.195 1306 I CB 1.421 39.453 38.000 0.054 0.000 1.350 1306 I HN 0.584 nan 8.210 nan 0.000 0.464 1307 S N 4.822 120.538 115.700 0.026 0.000 2.608 1307 S HA 0.152 4.622 4.470 -0.001 0.000 0.261 1307 S C 1.126 175.575 174.600 -0.252 0.000 1.314 1307 S CA -0.522 57.659 58.200 -0.031 0.000 0.992 1307 S CB 1.389 64.550 63.200 -0.065 0.000 0.935 1307 S HN 0.721 nan 8.310 nan 0.000 0.564 1308 K N 0.591 120.580 120.400 -0.685 0.000 2.103 1308 K HA -0.169 4.151 4.320 -0.001 0.000 0.207 1308 K C 1.782 178.146 176.600 -0.393 0.000 1.048 1308 K CA 1.860 57.603 56.287 -0.907 0.000 0.930 1308 K CB -0.343 31.561 32.500 -0.993 0.000 0.716 1308 K HN 0.682 nan 8.250 nan 0.000 0.444 1309 E N -0.181 119.924 120.200 -0.158 0.000 2.023 1309 E HA -0.153 4.197 4.350 -0.001 0.000 0.196 1309 E C 2.019 178.642 176.600 0.038 0.000 1.003 1309 E CA 2.103 58.520 56.400 0.027 0.000 0.809 1309 E CB -0.702 28.994 29.700 -0.006 0.000 0.755 1309 E HN 0.296 nan 8.360 nan 0.000 0.449 1310 T N 0.831 115.372 114.554 -0.021 0.000 2.699 1310 T HA -0.249 4.101 4.350 -0.001 0.000 0.268 1310 T C 1.907 176.629 174.700 0.037 0.000 1.036 1310 T CA 1.585 63.677 62.100 -0.013 0.000 1.147 1310 T CB -0.532 68.266 68.868 -0.117 0.000 0.862 1310 T HN 0.312 nan 8.240 nan 0.000 0.446 1311 A N 0.564 123.392 122.820 0.013 0.000 1.883 1311 A HA -0.130 4.189 4.320 -0.001 0.000 0.217 1311 A C 2.033 179.685 177.584 0.114 0.000 1.186 1311 A CA 1.576 53.680 52.037 0.113 0.000 0.624 1311 A CB -1.079 18.030 19.000 0.182 0.000 0.822 1311 A HN 0.510 nan 8.150 nan 0.000 0.444 1312 Y N 1.296 121.652 120.300 0.093 0.000 2.049 1312 Y HA -0.262 4.288 4.550 -0.001 0.000 0.277 1312 Y C 3.289 179.296 175.900 0.178 0.000 1.143 1312 Y CA 1.910 60.060 58.100 0.085 0.000 1.115 1312 Y CB -0.894 37.444 38.460 -0.202 0.000 0.975 1312 Y HN 0.477 nan 8.280 nan 0.000 0.487 1313 S N -0.693 115.172 115.700 0.275 0.000 2.402 1313 S HA -0.170 4.300 4.470 -0.001 0.000 0.229 1313 S C 1.861 176.584 174.600 0.204 0.000 1.021 1313 S CA 1.341 59.669 58.200 0.214 0.000 0.974 1313 S CB -0.338 62.948 63.200 0.143 0.000 0.800 1313 S HN 0.349 nan 8.310 nan 0.000 0.484 1314 E N 2.286 122.607 120.200 0.202 0.000 2.107 1314 E HA -0.073 4.277 4.350 -0.001 0.000 0.191 1314 E C 2.322 179.025 176.600 0.170 0.000 0.982 1314 E CA 1.344 57.865 56.400 0.203 0.000 0.809 1314 E CB -0.478 29.376 29.700 0.256 0.000 0.756 1314 E HN 0.739 nan 8.360 nan 0.000 0.459 1315 S N -0.749 115.066 115.700 0.192 0.000 2.382 1315 S HA -0.143 4.327 4.470 -0.001 0.000 0.228 1315 S C 2.147 176.832 174.600 0.142 0.000 1.027 1315 S CA 1.216 59.512 58.200 0.160 0.000 0.991 1315 S CB -0.710 62.616 63.200 0.211 0.000 0.823 1315 S HN 0.100 nan 8.310 nan 0.000 0.469 1316 V N 2.516 122.547 119.914 0.195 0.000 2.287 1316 V HA -0.215 3.905 4.120 -0.001 0.000 0.248 1316 V C 2.710 178.856 176.094 0.088 0.000 1.053 1316 V CA 2.286 64.669 62.300 0.138 0.000 1.027 1316 V CB -0.733 31.202 31.823 0.188 0.000 0.646 1316 V HN 0.536 nan 8.190 nan 0.000 0.447 1317 K N -0.377 120.078 120.400 0.092 0.000 2.097 1317 K HA -0.052 4.268 4.320 -0.001 0.000 0.205 1317 K C 2.083 178.707 176.600 0.040 0.000 1.050 1317 K CA 1.137 57.462 56.287 0.062 0.000 0.938 1317 K CB -0.248 32.292 32.500 0.066 0.000 0.718 1317 K HN 0.364 nan 8.250 nan 0.000 0.442 1318 L N 0.581 121.828 121.223 0.041 0.000 2.056 1318 L HA -0.167 4.173 4.340 -0.001 0.000 0.207 1318 L C 2.359 179.237 176.870 0.014 0.000 1.078 1318 L CA 0.469 55.319 54.840 0.015 0.000 0.749 1318 L CB -0.371 41.690 42.059 0.004 0.000 0.901 1318 L HN 0.153 nan 8.230 nan 0.000 0.433 1319 L N -0.211 121.025 121.223 0.021 0.000 2.046 1319 L HA -0.227 4.112 4.340 -0.001 0.000 0.208 1319 L C 2.525 179.400 176.870 0.009 0.000 1.077 1319 L CA 1.748 56.595 54.840 0.010 0.000 0.747 1319 L CB -0.557 41.504 42.059 0.003 0.000 0.896 1319 L HN 0.245 nan 8.230 nan 0.000 0.432 1320 Q N -0.635 119.175 119.800 0.017 0.000 2.124 1320 Q HA -0.267 4.073 4.340 -0.001 0.000 0.202 1320 Q C 2.259 178.265 176.000 0.010 0.000 0.977 1320 Q CA 1.850 57.662 55.803 0.015 0.000 0.850 1320 Q CB -0.203 28.549 28.738 0.024 0.000 0.901 1320 Q HN 0.507 nan 8.270 nan 0.000 0.429 1321 K N 0.754 121.159 120.400 0.008 0.000 2.097 1321 K HA -0.119 4.200 4.320 -0.001 0.000 0.205 1321 K C 1.920 178.520 176.600 0.001 0.000 1.050 1321 K CA 0.865 57.154 56.287 0.003 0.000 0.938 1321 K CB 0.028 32.528 32.500 -0.001 0.000 0.718 1321 K HN 0.148 nan 8.250 nan 0.000 0.442 1322 I N 0.885 121.456 120.570 0.001 0.000 2.142 1322 I HA -0.288 3.882 4.170 -0.001 0.000 0.240 1322 I C 1.980 178.096 176.117 -0.002 0.000 1.078 1322 I CA 0.627 61.926 61.300 -0.001 0.000 1.343 1322 I CB -0.225 37.774 38.000 -0.001 0.000 1.046 1322 I HN 0.138 nan 8.210 nan 0.000 0.405 1323 L N 0.556 121.779 121.223 -0.001 0.000 2.081 1323 L HA -0.242 4.098 4.340 -0.001 0.000 0.212 1323 L C 2.316 179.186 176.870 0.000 0.000 1.080 1323 L CA 1.852 56.692 54.840 -0.001 0.000 0.754 1323 L CB -1.027 41.033 42.059 0.001 0.000 0.893 1323 L HN 0.279 nan 8.230 nan 0.000 0.433 1324 E N -1.252 118.949 120.200 0.001 0.000 2.250 1324 E HA -0.075 4.274 4.350 -0.001 0.000 0.192 1324 E C 1.621 178.221 176.600 -0.000 0.000 0.986 1324 E CA 0.335 56.736 56.400 0.001 0.000 0.849 1324 E CB 0.223 29.924 29.700 0.003 0.000 0.797 1324 E HN 0.496 nan 8.360 nan 0.000 0.482 1325 E N 0.079 120.278 120.200 -0.001 0.000 2.474 1325 E HA 0.029 4.378 4.350 -0.001 0.000 0.195 1325 E C -0.304 176.294 176.600 -0.003 0.000 1.039 1325 E CA 0.038 56.436 56.400 -0.002 0.000 0.881 1325 E CB 0.641 30.339 29.700 -0.003 0.000 0.970 1325 E HN -0.015 nan 8.360 nan 0.000 0.486 1326 D N 0.052 120.450 120.400 -0.003 0.000 2.936 1326 D HA 0.070 4.709 4.640 -0.001 0.000 0.238 1326 D C -0.290 176.007 176.300 -0.004 0.000 1.248 1326 D CA -0.159 53.839 54.000 -0.004 0.000 0.903 1326 D CB 1.572 42.369 40.800 -0.005 0.000 1.544 1326 D HN -0.179 nan 8.370 nan 0.000 0.543 1327 E N 1.352 121.550 120.200 -0.004 0.000 2.447 1327 E HA 0.132 4.481 4.350 -0.001 0.000 0.195 1327 E C 0.406 177.003 176.600 -0.004 0.000 1.028 1327 E CA 0.152 56.550 56.400 -0.003 0.000 0.876 1327 E CB 0.264 29.962 29.700 -0.003 0.000 0.885 1327 E HN 0.217 nan 8.360 nan 0.000 0.500 1328 R N 1.401 121.898 120.500 -0.006 0.000 2.679 1328 R HA 0.244 4.583 4.340 -0.001 0.000 0.269 1328 R C 0.033 176.328 176.300 -0.009 0.000 1.076 1328 R CA -0.151 55.945 56.100 -0.007 0.000 1.160 1328 R CB 0.508 30.804 30.300 -0.007 0.000 1.054 1328 R HN -0.030 nan 8.270 nan 0.000 0.507 1329 K N 1.380 121.775 120.400 -0.010 0.000 2.202 1329 K HA 0.235 4.555 4.320 -0.001 0.000 0.264 1329 K C -0.006 176.582 176.600 -0.020 0.000 1.010 1329 K CA -0.129 56.150 56.287 -0.013 0.000 0.940 1329 K CB 0.658 33.152 32.500 -0.010 0.000 0.983 1329 K HN 0.350 nan 8.250 nan 0.000 0.475 1330 I N 2.215 122.767 120.570 -0.030 0.000 2.385 1330 I HA 0.199 4.368 4.170 -0.001 0.000 0.294 1330 I C 1.396 177.474 176.117 -0.064 0.000 0.988 1330 I CA -0.269 61.005 61.300 -0.044 0.000 1.265 1330 I CB 1.542 39.513 38.000 -0.049 0.000 1.388 1330 I HN 0.684 nan 8.210 nan 0.000 0.480 1331 R N 4.628 125.090 120.500 -0.063 0.000 2.121 1331 R HA 0.303 4.643 4.340 -0.001 0.000 0.206 1331 R C 0.194 176.428 176.300 -0.110 0.000 1.094 1331 R CA 0.279 56.337 56.100 -0.069 0.000 1.055 1331 R CB 0.621 30.900 30.300 -0.034 0.000 0.964 1331 R HN 0.574 nan 8.270 nan 0.000 0.473 1332 R N -0.124 120.321 120.500 -0.091 0.000 2.744 1332 R HA 0.441 4.780 4.340 -0.001 0.000 0.279 1332 R C -1.575 174.679 176.300 -0.076 0.000 0.977 1332 R CA -0.829 55.214 56.100 -0.095 0.000 0.906 1332 R CB 2.364 32.636 30.300 -0.047 0.000 1.197 1332 R HN 0.014 nan 8.270 nan 0.000 0.463 1333 I N 0.362 120.892 120.570 -0.067 0.000 2.619 1333 I HA 0.727 4.896 4.170 -0.001 0.000 0.292 1333 I C -0.740 175.389 176.117 0.020 0.000 1.100 1333 I CA -0.064 61.220 61.300 -0.026 0.000 1.043 1333 I CB 2.300 40.278 38.000 -0.035 0.000 1.239 1333 I HN 0.747 nan 8.210 nan 0.000 0.420 1334 G N 4.682 113.497 108.800 0.025 0.000 2.721 1334 G HA2 0.711 4.670 3.960 -0.001 0.000 0.296 1334 G HA3 0.711 4.670 3.960 -0.001 0.000 0.296 1334 G C -2.143 172.773 174.900 0.027 0.000 1.383 1334 G CA -0.544 44.582 45.100 0.044 0.000 0.788 1334 G HN 0.772 nan 8.290 nan 0.000 0.500 1335 V N -0.390 119.535 119.914 0.019 0.000 3.087 1335 V HA 0.917 5.036 4.120 -0.001 0.000 0.306 1335 V C -1.226 174.807 176.094 -0.101 0.000 1.187 1335 V CA -0.899 61.361 62.300 -0.066 0.000 0.999 1335 V CB 2.191 33.968 31.823 -0.077 0.000 1.049 1335 V HN 1.127 nan 8.190 nan 0.000 0.431 1336 R N 4.107 124.473 120.500 -0.223 0.000 2.651 1336 R HA 0.569 4.909 4.340 -0.001 0.000 0.278 1336 R C -2.384 173.713 176.300 -0.339 0.000 1.010 1336 R CA -0.423 55.582 56.100 -0.159 0.000 0.896 1336 R CB 1.965 32.244 30.300 -0.036 0.000 1.211 1336 R HN 0.539 nan 8.270 nan 0.000 0.456 1337 F N 1.424 121.456 119.950 0.137 0.000 2.450 1337 F HA 0.555 5.082 4.527 -0.001 0.000 0.332 1337 F C 0.471 176.266 175.800 -0.010 0.000 1.093 1337 F CA -0.088 57.992 58.000 0.133 0.000 1.003 1337 F CB 2.273 41.387 39.000 0.190 0.000 1.151 1337 F HN 0.786 nan 8.300 nan 0.000 0.474 1338 S N 0.038 115.710 115.700 -0.047 0.000 2.790 1338 S HA 0.555 5.025 4.470 -0.001 0.000 0.292 1338 S C -1.216 173.048 174.600 -0.561 0.000 1.197 1338 S CA -1.376 56.490 58.200 -0.557 0.000 0.851 1338 S CB 1.493 64.537 63.200 -0.259 0.000 1.217 1338 S HN 0.604 nan 8.310 nan 0.000 0.526 1339 K N 0.481 120.552 120.400 -0.549 0.000 3.974 1339 K HA -0.135 4.184 4.320 -0.001 0.000 0.280 1339 K C -1.292 175.202 176.600 -0.177 0.000 0.949 1339 K CA 0.366 56.497 56.287 -0.261 0.000 0.817 1339 K CB -1.907 30.543 32.500 -0.084 0.000 1.535 1339 K HN 0.423 nan 8.250 nan 0.000 0.444 1340 F N 1.087 121.064 119.950 0.045 0.000 2.418 1340 F HA 0.294 4.820 4.527 -0.001 0.000 0.341 1340 F C 1.901 177.715 175.800 0.023 0.000 1.120 1340 F CA -0.942 57.073 58.000 0.025 0.000 1.232 1340 F CB 0.328 39.331 39.000 0.005 0.000 1.175 1340 F HN 0.067 nan 8.300 nan 0.000 0.569 1341 I N 0.000 120.703 120.570 0.222 0.000 2.984 1341 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 1341 I CA 0.000 61.375 61.300 0.126 0.000 1.566 1341 I CB 0.000 38.057 38.000 0.096 0.000 1.214 1341 I HN 0.000 nan 8.210 nan 0.000 0.494