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 2atl_1_B DATA FIRST_RESID 1001 DATA SEQUENCE GIVLFVDFDY FYAQVEEVLN PSLKGKPVVV CVFSGRFEDS GAVATANYEA DATA SEQUENCE RKFGVKAGIP IVEAKKILPN AVYLPMRKEV YQQVSSRIMN LLREYSEKIE DATA SEQUENCE IASIDEAYLD ISDKVRDYRE AYNLGLEIKN KILEKEKITV TVGISKNKVF DATA SEQUENCE AKIAADMAKP NGIKVIDDEE VKRLIRELDI ADVPGIGNIT AEKLKKLGIN DATA SEQUENCE KLVDTLSIEF DKLKGMIGEA KAKYLISLAR DEYNEPIRTR VRKSIGRIVT DATA SEQUENCE MKRNSRNLEE IKPYLFRAIE ESYYKLDKRI PKAIHVVAVT EDLDIVSRGR DATA SEQUENCE TFPHGISKET AYSESVKLLQ KILEEDERKI RRIGVRFSKF I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 G HA2 0.000 nan 3.960 nan 0.000 0.244 1001 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1001 G C 0.000 174.916 174.900 0.027 0.000 0.946 1001 G CA 0.000 45.104 45.100 0.007 0.000 0.502 1002 I N 0.945 121.537 120.570 0.036 0.000 2.466 1002 I HA 0.540 4.710 4.170 -0.000 0.000 0.289 1002 I C -0.162 176.037 176.117 0.137 0.000 1.026 1002 I CA -0.912 60.442 61.300 0.091 0.000 1.078 1002 I CB 2.276 40.280 38.000 0.006 0.000 1.249 1002 I HN 0.319 nan 8.210 nan 0.000 0.429 1003 V N 6.762 126.794 119.914 0.196 0.000 2.513 1003 V HA 0.519 4.639 4.120 -0.000 0.000 0.299 1003 V C -0.513 175.725 176.094 0.240 0.000 1.035 1003 V CA -0.726 61.701 62.300 0.212 0.000 0.889 1003 V CB 2.091 34.048 31.823 0.224 0.000 0.988 1003 V HN 0.520 nan 8.190 nan 0.000 0.440 1004 L N 5.077 126.436 121.223 0.227 0.000 2.356 1004 L HA 0.657 4.997 4.340 -0.000 0.000 0.277 1004 L C -1.406 175.601 176.870 0.229 0.000 0.996 1004 L CA -0.494 54.461 54.840 0.192 0.000 0.822 1004 L CB 1.475 43.592 42.059 0.097 0.000 1.256 1004 L HN 0.660 nan 8.230 nan 0.000 0.413 1005 F N 6.005 125.976 119.950 0.035 0.000 2.449 1005 F HA 0.645 5.172 4.527 -0.000 0.000 0.342 1005 F C -1.029 174.681 175.800 -0.150 0.000 1.127 1005 F CA -0.625 57.315 58.000 -0.099 0.000 0.975 1005 F CB 1.423 40.380 39.000 -0.070 0.000 1.146 1005 F HN 0.115 nan 8.300 nan 0.000 0.444 1006 V N 5.115 124.529 119.914 -0.834 0.000 2.472 1006 V HA 0.426 4.545 4.120 -0.000 0.000 0.290 1006 V C -0.891 174.565 176.094 -1.064 0.000 1.037 1006 V CA -0.597 61.305 62.300 -0.663 0.000 0.908 1006 V CB 1.540 33.163 31.823 -0.334 0.000 0.985 1006 V HN 0.720 nan 8.190 nan 0.000 0.454 1007 D N 3.085 123.111 120.400 -0.623 0.000 2.616 1007 D HA 0.332 4.972 4.640 -0.000 0.000 0.238 1007 D C -0.826 175.344 176.300 -0.218 0.000 1.354 1007 D CA -0.395 53.260 54.000 -0.575 0.000 0.970 1007 D CB 1.205 41.813 40.800 -0.320 0.000 1.369 1007 D HN 0.126 nan 8.370 nan 0.000 0.585 1008 F N 1.071 120.829 119.950 -0.320 0.000 2.485 1008 F HA 0.259 4.786 4.527 -0.000 0.000 0.327 1008 F C 1.264 176.964 175.800 -0.167 0.000 1.203 1008 F CA -0.387 57.456 58.000 -0.262 0.000 1.295 1008 F CB 0.220 38.975 39.000 -0.408 0.000 1.191 1008 F HN 0.150 nan 8.300 nan 0.000 0.588 1009 D N 0.370 120.761 120.400 -0.015 0.000 2.198 1009 D HA 0.181 4.821 4.640 -0.000 0.000 0.245 1009 D C -0.364 175.606 176.300 -0.550 0.000 1.079 1009 D CA -0.176 53.651 54.000 -0.288 0.000 0.854 1009 D CB 0.357 40.862 40.800 -0.492 0.000 1.148 1009 D HN 0.495 nan 8.370 nan 0.000 0.456 1010 Y N 0.449 120.844 120.300 0.159 0.000 3.015 1010 Y HA -0.327 4.223 4.550 -0.000 0.000 0.216 1010 Y C 0.640 176.600 175.900 0.100 0.000 1.134 1010 Y CA -0.357 57.771 58.100 0.047 0.000 0.783 1010 Y CB -2.280 36.164 38.460 -0.027 0.000 1.133 1010 Y HN 0.333 nan 8.280 nan 0.000 0.422 1011 F N 1.682 121.627 119.950 -0.008 0.000 2.051 1011 F HA -0.183 4.344 4.527 -0.000 0.000 0.296 1011 F C 2.114 177.942 175.800 0.047 0.000 1.122 1011 F CA 1.571 59.602 58.000 0.051 0.000 1.201 1011 F CB -0.665 38.440 39.000 0.174 0.000 0.978 1011 F HN 0.336 nan 8.300 nan 0.000 0.472 1012 Y N 0.725 120.700 120.300 -0.541 0.000 2.081 1012 Y HA -0.216 4.334 4.550 -0.000 0.000 0.280 1012 Y C 2.763 178.267 175.900 -0.660 0.000 1.163 1012 Y CA 0.903 58.284 58.100 -1.199 0.000 1.135 1012 Y CB -1.812 36.021 38.460 -1.045 0.000 0.970 1012 Y HN 0.176 nan 8.280 nan 0.000 0.498 1013 A N -0.085 122.679 122.820 -0.094 0.000 1.869 1013 A HA -0.355 3.965 4.320 -0.000 0.000 0.218 1013 A C 2.303 179.926 177.584 0.066 0.000 1.203 1013 A CA 2.369 54.415 52.037 0.015 0.000 0.638 1013 A CB -1.171 17.865 19.000 0.061 0.000 0.831 1013 A HN 0.573 nan 8.150 nan 0.000 0.450 1014 Q N -0.568 119.329 119.800 0.162 0.000 2.112 1014 Q HA -0.162 4.178 4.340 -0.000 0.000 0.206 1014 Q C 2.061 178.065 176.000 0.007 0.000 0.987 1014 Q CA 2.090 57.985 55.803 0.154 0.000 0.858 1014 Q CB -0.264 28.524 28.738 0.083 0.000 0.905 1014 Q HN 0.506 nan 8.270 nan 0.000 0.420 1015 V N 1.208 121.036 119.914 -0.143 0.000 2.343 1015 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 1015 V C 2.171 178.275 176.094 0.017 0.000 1.051 1015 V CA 1.861 64.097 62.300 -0.107 0.000 1.036 1015 V CB -0.534 31.175 31.823 -0.191 0.000 0.654 1015 V HN 0.350 nan 8.190 nan 0.000 0.451 1016 E N 0.166 120.403 120.200 0.063 0.000 2.072 1016 E HA -0.236 4.114 4.350 -0.000 0.000 0.191 1016 E C 2.168 178.797 176.600 0.048 0.000 0.985 1016 E CA 1.059 57.504 56.400 0.075 0.000 0.801 1016 E CB -0.231 29.530 29.700 0.102 0.000 0.750 1016 E HN 0.704 nan 8.360 nan 0.000 0.452 1017 E N 0.689 120.920 120.200 0.052 0.000 2.401 1017 E HA -0.115 4.235 4.350 -0.000 0.000 0.199 1017 E C 1.599 178.231 176.600 0.053 0.000 1.023 1017 E CA 0.338 56.772 56.400 0.058 0.000 0.859 1017 E CB 0.294 30.052 29.700 0.097 0.000 0.780 1017 E HN -0.023 nan 8.360 nan 0.000 0.523 1018 V N -0.085 119.854 119.914 0.042 0.000 3.263 1018 V HA -0.071 4.049 4.120 -0.000 0.000 0.248 1018 V C 1.454 177.562 176.094 0.022 0.000 1.145 1018 V CA 0.420 62.739 62.300 0.031 0.000 1.107 1018 V CB 0.302 32.137 31.823 0.020 0.000 0.797 1018 V HN 0.232 nan 8.190 nan 0.000 0.467 1019 L N -0.281 120.956 121.223 0.023 0.000 2.354 1019 L HA 0.273 4.613 4.340 -0.000 0.000 0.212 1019 L C 0.794 177.675 176.870 0.018 0.000 1.091 1019 L CA 1.177 56.027 54.840 0.017 0.000 0.828 1019 L CB -0.253 41.815 42.059 0.014 0.000 0.973 1019 L HN 0.260 nan 8.230 nan 0.000 0.461 1020 N N -0.712 118.002 118.700 0.023 0.000 2.762 1020 N HA 0.212 4.952 4.740 -0.000 0.000 0.252 1020 N C -2.045 173.479 175.510 0.023 0.000 1.269 1020 N CA -1.001 52.063 53.050 0.022 0.000 0.799 1020 N CB 1.667 40.168 38.487 0.024 0.000 1.173 1020 N HN -0.109 nan 8.380 nan 0.000 0.516 1021 P HA -0.151 nan 4.420 nan 0.000 0.220 1021 P C 1.389 178.702 177.300 0.022 0.000 1.144 1021 P CA 1.191 64.306 63.100 0.024 0.000 0.800 1021 P CB 0.284 31.997 31.700 0.021 0.000 0.772 1022 S N -1.477 114.234 115.700 0.019 0.000 2.442 1022 S HA -0.118 4.352 4.470 -0.000 0.000 0.236 1022 S C 1.694 176.302 174.600 0.015 0.000 1.007 1022 S CA 0.891 59.101 58.200 0.017 0.000 0.965 1022 S CB -1.265 61.945 63.200 0.016 0.000 0.773 1022 S HN -0.022 nan 8.310 nan 0.000 0.504 1023 L N 1.235 122.467 121.223 0.015 0.000 2.141 1023 L HA 0.230 4.570 4.340 -0.000 0.000 0.209 1023 L C 1.358 178.228 176.870 0.001 0.000 1.094 1023 L CA 1.176 56.020 54.840 0.007 0.000 0.763 1023 L CB -1.034 41.032 42.059 0.011 0.000 0.908 1023 L HN 0.358 nan 8.230 nan 0.000 0.437 1024 K N -0.755 119.652 120.400 0.011 0.000 2.401 1024 K HA 0.349 4.669 4.320 -0.000 0.000 0.278 1024 K C 1.050 177.654 176.600 0.006 0.000 1.018 1024 K CA 0.784 57.078 56.287 0.011 0.000 0.981 1024 K CB 0.342 32.860 32.500 0.031 0.000 0.933 1024 K HN 0.230 nan 8.250 nan 0.000 0.477 1025 G N 3.611 112.410 108.800 -0.002 0.000 3.349 1025 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.202 1025 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.202 1025 G C -0.396 174.506 174.900 0.004 0.000 1.588 1025 G CA 0.073 45.175 45.100 0.004 0.000 1.198 1025 G HN 0.701 nan 8.290 nan 0.000 0.588 1026 K N 2.800 123.202 120.400 0.004 0.000 2.143 1026 K HA 0.538 4.858 4.320 -0.000 0.000 0.239 1026 K C -2.375 174.221 176.600 -0.008 0.000 1.048 1026 K CA -0.735 55.559 56.287 0.011 0.000 0.867 1026 K CB 0.267 32.768 32.500 0.002 0.000 1.088 1026 K HN 0.355 nan 8.250 nan 0.000 0.510 1027 P HA 0.045 nan 4.420 nan 0.000 0.271 1027 P C -0.876 176.359 177.300 -0.110 0.000 1.218 1027 P CA -0.355 62.721 63.100 -0.040 0.000 0.780 1027 P CB 0.945 32.642 31.700 -0.006 0.000 0.901 1028 V N 3.033 122.858 119.914 -0.149 0.000 2.733 1028 V HA 0.244 4.364 4.120 -0.000 0.000 0.306 1028 V C -0.300 175.668 176.094 -0.211 0.000 1.084 1028 V CA -0.664 61.532 62.300 -0.174 0.000 0.905 1028 V CB 2.552 34.316 31.823 -0.099 0.000 1.010 1028 V HN 0.243 nan 8.190 nan 0.000 0.424 1029 V N 5.497 125.226 119.914 -0.308 0.000 2.444 1029 V HA 0.486 4.606 4.120 -0.000 0.000 0.294 1029 V C -0.236 175.784 176.094 -0.124 0.000 1.022 1029 V CA -0.765 61.378 62.300 -0.263 0.000 0.850 1029 V CB 1.824 33.397 31.823 -0.418 0.000 0.992 1029 V HN 0.551 nan 8.190 nan 0.000 0.426 1030 V N 4.669 124.550 119.914 -0.056 0.000 2.383 1030 V HA 0.440 4.560 4.120 -0.000 0.000 0.275 1030 V C 0.170 176.249 176.094 -0.025 0.000 1.036 1030 V CA -0.260 62.047 62.300 0.012 0.000 0.889 1030 V CB 0.946 32.815 31.823 0.077 0.000 0.985 1030 V HN 1.121 nan 8.190 nan 0.000 0.459 1031 C N 3.452 122.685 119.300 -0.112 0.000 2.712 1031 C HA 0.772 5.232 4.460 -0.000 0.000 0.308 1031 C C -0.250 174.517 174.990 -0.372 0.000 1.201 1031 C CA -1.106 57.766 59.018 -0.244 0.000 1.554 1031 C CB 0.831 28.388 27.740 -0.305 0.000 2.117 1031 C HN 0.491 nan 8.230 nan 0.000 0.480 1032 V N 2.566 122.336 119.914 -0.239 0.000 2.372 1032 V HA 0.212 4.332 4.120 -0.000 0.000 0.261 1032 V C -0.354 175.614 176.094 -0.210 0.000 1.055 1032 V CA 0.289 62.494 62.300 -0.158 0.000 0.930 1032 V CB -0.782 31.018 31.823 -0.039 0.000 1.031 1032 V HN 0.676 nan 8.190 nan 0.000 0.479 1033 F N 3.700 123.653 119.950 0.004 0.000 2.466 1033 F HA 0.171 4.698 4.527 -0.000 0.000 0.363 1033 F C 1.792 177.552 175.800 -0.066 0.000 1.109 1033 F CA -0.118 57.854 58.000 -0.048 0.000 1.161 1033 F CB 1.062 40.038 39.000 -0.039 0.000 1.117 1033 F HN 0.617 nan 8.300 nan 0.000 0.539 1034 S N 1.589 117.323 115.700 0.057 0.000 2.453 1034 S HA 0.108 4.578 4.470 -0.000 0.000 0.231 1034 S C 1.886 176.470 174.600 -0.025 0.000 1.005 1034 S CA 0.484 58.674 58.200 -0.016 0.000 0.949 1034 S CB -0.462 62.690 63.200 -0.080 0.000 0.774 1034 S HN 1.193 nan 8.310 nan 0.000 0.510 1035 G N 1.688 110.462 108.800 -0.045 0.000 2.179 1035 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 1035 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 1035 G C 1.013 175.890 174.900 -0.039 0.000 0.977 1035 G CA 0.406 45.486 45.100 -0.034 0.000 0.641 1035 G HN 0.481 nan 8.290 nan 0.000 0.533 1036 R N -0.557 119.881 120.500 -0.102 0.000 2.094 1036 R HA 0.075 4.415 4.340 -0.000 0.000 0.239 1036 R C 1.391 177.785 176.300 0.156 0.000 1.137 1036 R CA 2.116 58.224 56.100 0.013 0.000 0.943 1036 R CB -0.300 30.009 30.300 0.016 0.000 0.850 1036 R HN 0.838 nan 8.270 nan 0.000 0.433 1037 F N -2.294 117.664 119.950 0.012 0.000 2.923 1037 F HA 0.380 4.907 4.527 -0.000 0.000 0.323 1037 F C -0.588 175.198 175.800 -0.024 0.000 1.189 1037 F CA -1.543 56.453 58.000 -0.006 0.000 0.930 1037 F CB 0.665 39.661 39.000 -0.006 0.000 1.414 1037 F HN -0.269 nan 8.300 nan 0.000 0.496 1038 E N 0.807 121.122 120.200 0.191 0.000 2.452 1038 E HA 0.043 4.393 4.350 -0.000 0.000 0.261 1038 E C -0.478 176.140 176.600 0.031 0.000 0.987 1038 E CA 0.836 57.247 56.400 0.019 0.000 0.926 1038 E CB 0.040 29.759 29.700 0.032 0.000 0.934 1038 E HN 0.678 nan 8.360 nan 0.000 0.452 1039 D N 1.502 121.835 120.400 -0.111 0.000 3.070 1039 D HA -0.203 4.437 4.640 -0.000 0.000 0.220 1039 D C -0.440 175.883 176.300 0.037 0.000 1.176 1039 D CA 1.245 55.292 54.000 0.078 0.000 0.924 1039 D CB -1.467 39.375 40.800 0.069 0.000 1.124 1039 D HN 0.279 nan 8.370 nan 0.000 0.411 1040 S N -0.427 115.086 115.700 -0.311 0.000 2.528 1040 S HA 0.518 4.988 4.470 -0.000 0.000 0.277 1040 S C 0.583 175.064 174.600 -0.199 0.000 1.297 1040 S CA 0.837 58.626 58.200 -0.684 0.000 1.052 1040 S CB 1.153 63.397 63.200 -1.593 0.000 0.917 1040 S HN 0.806 nan 8.310 nan 0.000 0.492 1041 G N 2.407 111.122 108.800 -0.143 0.000 2.347 1041 G HA2 0.473 4.433 3.960 -0.000 0.000 0.341 1041 G HA3 0.473 4.433 3.960 -0.000 0.000 0.341 1041 G C -0.762 174.101 174.900 -0.062 0.000 1.287 1041 G CA -0.276 44.779 45.100 -0.074 0.000 0.984 1041 G HN 1.256 nan 8.290 nan 0.000 0.526 1042 A N -1.467 121.311 122.820 -0.070 0.000 2.392 1042 A HA 0.916 5.236 4.320 -0.000 0.000 0.283 1042 A C -0.325 177.212 177.584 -0.078 0.000 1.197 1042 A CA -0.269 51.736 52.037 -0.054 0.000 0.895 1042 A CB 1.530 20.510 19.000 -0.032 0.000 1.400 1042 A HN 1.802 nan 8.150 nan 0.000 0.461 1043 V N 1.288 121.173 119.914 -0.049 0.000 2.364 1043 V HA 0.431 4.551 4.120 -0.000 0.000 0.272 1043 V C 1.291 177.350 176.094 -0.059 0.000 1.036 1043 V CA 0.352 62.621 62.300 -0.051 0.000 0.880 1043 V CB 0.281 32.089 31.823 -0.026 0.000 0.991 1043 V HN 1.130 nan 8.190 nan 0.000 0.460 1044 A N 4.495 127.283 122.820 -0.054 0.000 1.832 1044 A HA 0.082 4.402 4.320 -0.000 0.000 0.214 1044 A C 1.163 178.655 177.584 -0.154 0.000 1.200 1044 A CA 1.788 53.787 52.037 -0.063 0.000 0.610 1044 A CB -0.042 18.997 19.000 0.065 0.000 0.842 1044 A HN 0.693 nan 8.150 nan 0.000 0.444 1045 T N -2.999 111.475 114.554 -0.134 0.000 2.840 1045 T HA 0.576 4.926 4.350 -0.000 0.000 0.317 1045 T C -1.699 172.933 174.700 -0.113 0.000 1.401 1045 T CA 0.144 62.151 62.100 -0.155 0.000 1.028 1045 T CB 1.617 70.348 68.868 -0.228 0.000 1.317 1045 T HN 1.161 nan 8.240 nan 0.000 0.495 1046 A N 2.637 125.378 122.820 -0.132 0.000 2.475 1046 A HA 0.766 5.086 4.320 -0.000 0.000 0.301 1046 A C -0.191 177.270 177.584 -0.204 0.000 1.059 1046 A CA -0.954 50.995 52.037 -0.147 0.000 0.710 1046 A CB 1.127 20.042 19.000 -0.142 0.000 1.288 1046 A HN 0.986 nan 8.150 nan 0.000 0.408 1047 N N 0.193 118.744 118.700 -0.249 0.000 2.231 1047 N HA 0.046 4.786 4.740 -0.000 0.000 0.223 1047 N C 0.275 175.541 175.510 -0.406 0.000 1.329 1047 N CA 0.471 53.240 53.050 -0.469 0.000 0.889 1047 N CB -0.161 37.936 38.487 -0.650 0.000 1.125 1047 N HN 0.588 nan 8.380 nan 0.000 0.447 1048 Y N -1.542 118.567 120.300 -0.318 0.000 2.352 1048 Y HA -0.057 4.493 4.550 -0.000 0.000 0.292 1048 Y C 1.666 177.462 175.900 -0.174 0.000 1.136 1048 Y CA 1.132 59.127 58.100 -0.175 0.000 1.227 1048 Y CB -0.197 38.193 38.460 -0.117 0.000 0.991 1048 Y HN 0.573 nan 8.280 nan 0.000 0.545 1049 E N -0.200 119.963 120.200 -0.062 0.000 2.409 1049 E HA -0.084 4.266 4.350 -0.000 0.000 0.198 1049 E C 1.923 178.545 176.600 0.038 0.000 1.024 1049 E CA 0.926 57.304 56.400 -0.037 0.000 0.861 1049 E CB -0.219 29.454 29.700 -0.045 0.000 0.788 1049 E HN 0.465 nan 8.360 nan 0.000 0.521 1050 A N 0.148 122.958 122.820 -0.017 0.000 1.993 1050 A HA 0.143 4.463 4.320 -0.000 0.000 0.207 1050 A C 1.987 179.606 177.584 0.057 0.000 1.224 1050 A CA 0.256 52.324 52.037 0.052 0.000 0.749 1050 A CB -0.008 18.954 19.000 -0.064 0.000 0.884 1050 A HN 0.059 nan 8.150 nan 0.000 0.467 1051 R N 0.373 120.834 120.500 -0.064 0.000 2.237 1051 R HA -0.021 4.319 4.340 -0.000 0.000 0.219 1051 R C 1.629 177.892 176.300 -0.062 0.000 1.080 1051 R CA 0.900 56.956 56.100 -0.075 0.000 0.995 1051 R CB -0.161 30.025 30.300 -0.191 0.000 0.875 1051 R HN 0.387 nan 8.270 nan 0.000 0.462 1052 K N -0.718 119.589 120.400 -0.155 0.000 2.228 1052 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 1052 K C 0.847 177.063 176.600 -0.640 0.000 1.045 1052 K CA 1.489 57.493 56.287 -0.472 0.000 0.931 1052 K CB 0.036 32.045 32.500 -0.817 0.000 0.727 1052 K HN 0.236 nan 8.250 nan 0.000 0.458 1053 F N -2.509 117.441 119.950 0.001 0.000 2.667 1053 F HA 0.225 4.752 4.527 -0.000 0.000 0.288 1053 F C 1.442 177.243 175.800 0.003 0.000 1.086 1053 F CA 0.283 58.285 58.000 0.004 0.000 1.297 1053 F CB 1.186 40.187 39.000 0.003 0.000 1.059 1053 F HN 0.047 nan 8.300 nan 0.000 0.624 1054 G N -0.203 108.690 108.800 0.156 0.000 3.288 1054 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.219 1054 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.219 1054 G C -0.384 174.552 174.900 0.060 0.000 0.944 1054 G CA -0.374 44.776 45.100 0.084 0.000 0.854 1054 G HN -0.042 nan 8.290 nan 0.000 0.632 1055 V N 3.341 123.297 119.914 0.071 0.000 2.157 1055 V HA 0.272 4.392 4.120 -0.000 0.000 0.241 1055 V C 1.089 177.170 176.094 -0.022 0.000 1.349 1055 V CA 0.770 63.090 62.300 0.034 0.000 1.319 1055 V CB -0.715 31.130 31.823 0.037 0.000 1.421 1055 V HN 0.641 nan 8.190 nan 0.000 0.501 1056 K N 3.136 123.522 120.400 -0.025 0.000 2.399 1056 K HA 0.814 5.134 4.320 -0.000 0.000 0.247 1056 K C 0.276 176.840 176.600 -0.060 0.000 1.036 1056 K CA -0.426 55.826 56.287 -0.058 0.000 0.977 1056 K CB 0.756 33.230 32.500 -0.044 0.000 1.272 1056 K HN 0.320 nan 8.250 nan 0.000 0.501 1057 A N -0.405 122.369 122.820 -0.077 0.000 2.445 1057 A HA 0.445 4.765 4.320 -0.000 0.000 0.242 1057 A C 1.118 178.671 177.584 -0.051 0.000 1.075 1057 A CA 0.214 52.205 52.037 -0.077 0.000 0.777 1057 A CB -1.041 17.900 19.000 -0.098 0.000 1.013 1057 A HN 1.321 nan 8.150 nan 0.000 0.493 1058 G N 0.400 109.173 108.800 -0.046 0.000 2.159 1058 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.256 1058 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.256 1058 G C 0.178 175.067 174.900 -0.018 0.000 0.977 1058 G CA 0.488 45.569 45.100 -0.032 0.000 0.652 1058 G HN 1.906 nan 8.290 nan 0.000 0.531 1059 I N -1.683 118.879 120.570 -0.013 0.000 2.499 1059 I HA 0.716 4.886 4.170 -0.000 0.000 0.296 1059 I C -2.064 174.057 176.117 0.008 0.000 0.992 1059 I CA -3.026 58.275 61.300 0.003 0.000 1.297 1059 I CB 1.024 39.031 38.000 0.013 0.000 1.410 1059 I HN -0.169 nan 8.210 nan 0.000 0.507 1060 P HA 0.060 nan 4.420 nan 0.000 0.263 1060 P C 0.687 178.006 177.300 0.030 0.000 1.175 1060 P CA 0.381 63.493 63.100 0.020 0.000 0.761 1060 P CB 0.493 32.213 31.700 0.033 0.000 0.794 1061 I N 2.443 123.025 120.570 0.020 0.000 2.454 1061 I HA -0.221 3.949 4.170 -0.000 0.000 0.254 1061 I C 2.105 178.226 176.117 0.007 0.000 1.156 1061 I CA 1.100 62.414 61.300 0.024 0.000 1.433 1061 I CB -0.266 37.735 38.000 0.001 0.000 1.082 1061 I HN 0.199 nan 8.210 nan 0.000 0.432 1062 V N 0.638 120.570 119.914 0.030 0.000 2.261 1062 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 1062 V C 2.526 178.638 176.094 0.030 0.000 1.047 1062 V CA 1.768 64.087 62.300 0.031 0.000 1.015 1062 V CB -0.567 31.295 31.823 0.065 0.000 0.642 1062 V HN 0.395 nan 8.190 nan 0.000 0.446 1063 E N 0.426 120.651 120.200 0.041 0.000 2.097 1063 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 1063 E C 2.320 178.958 176.600 0.063 0.000 1.000 1063 E CA 1.735 58.161 56.400 0.045 0.000 0.804 1063 E CB -0.626 29.099 29.700 0.042 0.000 0.740 1063 E HN 0.594 nan 8.360 nan 0.000 0.454 1064 A N 1.469 124.347 122.820 0.095 0.000 1.930 1064 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 1064 A C 2.067 179.785 177.584 0.225 0.000 1.175 1064 A CA 1.256 53.400 52.037 0.180 0.000 0.627 1064 A CB -0.243 18.933 19.000 0.295 0.000 0.815 1064 A HN 0.065 nan 8.150 nan 0.000 0.443 1065 K N -0.089 120.363 120.400 0.088 0.000 2.211 1065 K HA -0.091 4.229 4.320 -0.000 0.000 0.203 1065 K C 1.868 178.490 176.600 0.036 0.000 1.050 1065 K CA 1.247 57.536 56.287 0.003 0.000 0.945 1065 K CB -0.131 32.261 32.500 -0.180 0.000 0.732 1065 K HN 0.464 nan 8.250 nan 0.000 0.451 1066 K N 0.676 121.094 120.400 0.029 0.000 2.057 1066 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 1066 K C 2.095 178.698 176.600 0.006 0.000 1.049 1066 K CA 1.190 57.487 56.287 0.015 0.000 0.931 1066 K CB -0.085 32.425 32.500 0.016 0.000 0.714 1066 K HN 0.073 nan 8.250 nan 0.000 0.440 1067 I N 0.246 120.827 120.570 0.019 0.000 2.193 1067 I HA -0.163 4.007 4.170 -0.000 0.000 0.240 1067 I C 0.691 176.754 176.117 -0.091 0.000 1.084 1067 I CA 0.978 62.258 61.300 -0.033 0.000 1.365 1067 I CB 0.220 38.224 38.000 0.007 0.000 1.064 1067 I HN -0.003 nan 8.210 nan 0.000 0.410 1068 L N 1.794 123.020 121.223 0.005 0.000 2.488 1068 L HA 0.271 4.611 4.340 -0.000 0.000 0.250 1068 L C -1.714 175.240 176.870 0.139 0.000 1.280 1068 L CA -1.066 53.771 54.840 -0.004 0.000 0.929 1068 L CB 1.076 43.106 42.059 -0.049 0.000 1.200 1068 L HN -0.090 nan 8.230 nan 0.000 0.495 1069 P HA -0.115 nan 4.420 nan 0.000 0.221 1069 P C 0.241 177.615 177.300 0.124 0.000 1.145 1069 P CA 1.221 64.377 63.100 0.094 0.000 0.795 1069 P CB 0.259 31.977 31.700 0.029 0.000 0.775 1070 N N -0.720 118.035 118.700 0.092 0.000 2.203 1070 N HA 0.171 4.911 4.740 -0.000 0.000 0.207 1070 N C 0.620 176.173 175.510 0.072 0.000 1.130 1070 N CA -0.127 52.967 53.050 0.074 0.000 0.861 1070 N CB 0.334 38.838 38.487 0.028 0.000 1.005 1070 N HN 0.058 nan 8.380 nan 0.000 0.507 1071 A N 0.807 123.676 122.820 0.083 0.000 2.425 1071 A HA 0.305 4.625 4.320 -0.000 0.000 0.249 1071 A C 0.525 178.096 177.584 -0.022 0.000 1.084 1071 A CA -0.271 51.728 52.037 -0.063 0.000 0.781 1071 A CB 0.481 19.308 19.000 -0.287 0.000 1.019 1071 A HN 0.025 nan 8.150 nan 0.000 0.490 1072 V N 4.206 124.081 119.914 -0.065 0.000 2.276 1072 V HA 0.051 4.171 4.120 -0.000 0.000 0.249 1072 V C -0.490 175.606 176.094 0.003 0.000 1.160 1072 V CA 0.013 62.327 62.300 0.024 0.000 1.042 1072 V CB -1.779 30.057 31.823 0.022 0.000 1.224 1072 V HN 0.659 nan 8.190 nan 0.000 0.496 1073 Y N 4.159 124.502 120.300 0.071 0.000 2.511 1073 Y HA 0.342 4.892 4.550 -0.000 0.000 0.332 1073 Y C 0.376 176.353 175.900 0.129 0.000 1.177 1073 Y CA 0.279 58.435 58.100 0.094 0.000 1.422 1073 Y CB 0.496 39.043 38.460 0.144 0.000 1.271 1073 Y HN 0.406 nan 8.280 nan 0.000 0.550 1074 L N 6.101 127.453 121.223 0.215 0.000 2.381 1074 L HA 0.469 4.809 4.340 -0.000 0.000 0.268 1074 L C -2.433 174.541 176.870 0.172 0.000 0.997 1074 L CA -2.391 52.566 54.840 0.194 0.000 0.818 1074 L CB 2.501 44.636 42.059 0.127 0.000 1.310 1074 L HN 0.418 nan 8.230 nan 0.000 0.416 1075 P HA 0.045 nan 4.420 nan 0.000 0.276 1075 P C -0.487 176.893 177.300 0.134 0.000 1.253 1075 P CA -0.350 62.889 63.100 0.232 0.000 0.766 1075 P CB 0.906 32.781 31.700 0.291 0.000 0.845 1076 M N 5.092 124.756 119.600 0.108 0.000 2.261 1076 M HA -0.028 4.452 4.480 -0.000 0.000 0.350 1076 M C 0.002 176.326 176.300 0.039 0.000 1.343 1076 M CA 0.941 56.353 55.300 0.187 0.000 1.003 1076 M CB 0.019 32.748 32.600 0.216 0.000 1.848 1076 M HN 0.250 nan 8.290 nan 0.000 0.456 1077 R N 4.849 125.229 120.500 -0.199 0.000 2.402 1077 R HA 0.168 4.508 4.340 -0.000 0.000 0.290 1077 R C 0.273 176.021 176.300 -0.921 0.000 1.321 1077 R CA -0.414 55.403 56.100 -0.472 0.000 1.283 1077 R CB 0.818 30.857 30.300 -0.435 0.000 1.111 1077 R HN 0.792 nan 8.270 nan 0.000 0.578 1078 K N 1.611 121.752 120.400 -0.432 0.000 2.001 1078 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 1078 K C 0.856 177.292 176.600 -0.272 0.000 1.048 1078 K CA 1.722 57.823 56.287 -0.310 0.000 0.932 1078 K CB 0.364 32.848 32.500 -0.028 0.000 0.715 1078 K HN 0.307 nan 8.250 nan 0.000 0.437 1079 E N 0.139 120.233 120.200 -0.177 0.000 2.187 1079 E HA -0.216 4.134 4.350 -0.000 0.000 0.199 1079 E C 1.823 178.333 176.600 -0.150 0.000 1.004 1079 E CA 1.447 57.787 56.400 -0.100 0.000 0.813 1079 E CB -0.291 29.376 29.700 -0.054 0.000 0.736 1079 E HN 0.097 nan 8.360 nan 0.000 0.468 1080 V N 0.215 119.937 119.914 -0.320 0.000 2.255 1080 V HA -0.256 3.864 4.120 -0.000 0.000 0.243 1080 V C 1.805 177.765 176.094 -0.225 0.000 1.038 1080 V CA 1.850 63.959 62.300 -0.319 0.000 1.008 1080 V CB -0.686 30.853 31.823 -0.473 0.000 0.645 1080 V HN 0.223 nan 8.190 nan 0.000 0.449 1081 Y N 0.552 120.739 120.300 -0.188 0.000 2.165 1081 Y HA -0.271 4.279 4.550 -0.000 0.000 0.286 1081 Y C 2.625 178.591 175.900 0.111 0.000 1.155 1081 Y CA 1.546 59.531 58.100 -0.192 0.000 1.164 1081 Y CB -1.257 36.899 38.460 -0.506 0.000 0.978 1081 Y HN 0.264 nan 8.280 nan 0.000 0.513 1082 Q N 0.639 120.552 119.800 0.189 0.000 2.124 1082 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 1082 Q C 2.078 178.173 176.000 0.159 0.000 0.977 1082 Q CA 1.886 57.807 55.803 0.196 0.000 0.850 1082 Q CB -0.322 28.488 28.738 0.120 0.000 0.901 1082 Q HN 0.593 nan 8.270 nan 0.000 0.429 1083 Q N -1.228 118.629 119.800 0.095 0.000 2.119 1083 Q HA -0.083 4.257 4.340 -0.000 0.000 0.201 1083 Q C 2.012 178.075 176.000 0.104 0.000 0.972 1083 Q CA 1.582 57.429 55.803 0.074 0.000 0.847 1083 Q CB 0.130 28.885 28.738 0.028 0.000 0.903 1083 Q HN 0.287 nan 8.270 nan 0.000 0.433 1084 V N -0.125 119.878 119.914 0.148 0.000 2.358 1084 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 1084 V C 2.228 178.465 176.094 0.238 0.000 1.047 1084 V CA 1.843 64.250 62.300 0.178 0.000 1.035 1084 V CB -0.771 31.172 31.823 0.201 0.000 0.658 1084 V HN 0.374 nan 8.190 nan 0.000 0.452 1085 S N -0.170 115.763 115.700 0.389 0.000 2.383 1085 S HA -0.229 4.241 4.470 -0.000 0.000 0.229 1085 S C 2.209 176.924 174.600 0.193 0.000 1.030 1085 S CA 2.123 60.525 58.200 0.338 0.000 1.002 1085 S CB -0.348 63.075 63.200 0.371 0.000 0.829 1085 S HN 0.599 nan 8.310 nan 0.000 0.467 1086 S N 1.313 117.101 115.700 0.146 0.000 2.368 1086 S HA -0.027 4.443 4.470 -0.000 0.000 0.225 1086 S C 1.989 176.632 174.600 0.072 0.000 1.030 1086 S CA 1.161 59.417 58.200 0.094 0.000 0.999 1086 S CB -0.295 62.948 63.200 0.071 0.000 0.844 1086 S HN 0.594 nan 8.310 nan 0.000 0.459 1087 R N 0.497 121.034 120.500 0.062 0.000 2.115 1087 R HA 0.114 4.454 4.340 -0.000 0.000 0.226 1087 R C 2.127 178.444 176.300 0.028 0.000 1.100 1087 R CA 1.042 57.164 56.100 0.038 0.000 0.980 1087 R CB -0.456 29.860 30.300 0.027 0.000 0.875 1087 R HN 0.408 nan 8.270 nan 0.000 0.445 1088 I N 0.609 121.188 120.570 0.017 0.000 2.315 1088 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 1088 I C 2.244 178.400 176.117 0.065 0.000 1.117 1088 I CA 0.978 62.264 61.300 -0.024 0.000 1.404 1088 I CB -0.189 37.669 38.000 -0.236 0.000 1.071 1088 I HN 0.095 nan 8.210 nan 0.000 0.419 1089 M N 0.266 119.928 119.600 0.104 0.000 2.229 1089 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 1089 M C 1.832 178.172 176.300 0.067 0.000 1.063 1089 M CA 1.457 56.811 55.300 0.090 0.000 1.114 1089 M CB -1.389 31.256 32.600 0.076 0.000 1.387 1089 M HN 0.276 nan 8.290 nan 0.000 0.420 1090 N N 0.686 119.419 118.700 0.055 0.000 2.270 1090 N HA -0.002 4.738 4.740 -0.000 0.000 0.181 1090 N C 1.918 177.455 175.510 0.044 0.000 1.016 1090 N CA 0.919 53.993 53.050 0.042 0.000 0.870 1090 N CB -0.269 38.236 38.487 0.030 0.000 0.979 1090 N HN 0.370 nan 8.380 nan 0.000 0.431 1091 L N 0.589 121.846 121.223 0.056 0.000 2.017 1091 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 1091 L C 2.102 179.073 176.870 0.168 0.000 1.073 1091 L CA 0.862 55.753 54.840 0.085 0.000 0.745 1091 L CB -0.486 41.623 42.059 0.084 0.000 0.894 1091 L HN 0.109 nan 8.230 nan 0.000 0.432 1092 L N -0.674 120.647 121.223 0.164 0.000 2.131 1092 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 1092 L C 2.731 179.724 176.870 0.204 0.000 1.092 1092 L CA 1.085 56.056 54.840 0.218 0.000 0.759 1092 L CB -0.545 41.578 42.059 0.106 0.000 0.903 1092 L HN 0.201 nan 8.230 nan 0.000 0.435 1093 R N -0.039 120.527 120.500 0.109 0.000 2.120 1093 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 1093 R C 1.983 178.299 176.300 0.027 0.000 1.123 1093 R CA 0.918 57.058 56.100 0.067 0.000 0.975 1093 R CB -0.285 30.038 30.300 0.039 0.000 0.866 1093 R HN 0.368 nan 8.270 nan 0.000 0.446 1094 E N -0.043 120.138 120.200 -0.033 0.000 2.333 1094 E HA -0.183 4.167 4.350 -0.000 0.000 0.198 1094 E C 1.288 177.696 176.600 -0.320 0.000 1.007 1094 E CA 1.275 57.550 56.400 -0.207 0.000 0.845 1094 E CB -0.116 29.377 29.700 -0.344 0.000 0.766 1094 E HN 0.526 nan 8.360 nan 0.000 0.507 1095 Y N -0.321 119.986 120.300 0.013 0.000 2.441 1095 Y HA 0.195 4.745 4.550 -0.000 0.000 0.288 1095 Y C 1.199 177.112 175.900 0.021 0.000 1.118 1095 Y CA 0.300 58.410 58.100 0.016 0.000 1.215 1095 Y CB 0.729 39.197 38.460 0.015 0.000 1.118 1095 Y HN -0.210 nan 8.280 nan 0.000 0.547 1096 S N -0.976 114.821 115.700 0.162 0.000 2.536 1096 S HA 0.288 4.758 4.470 -0.000 0.000 0.271 1096 S C -0.012 174.633 174.600 0.074 0.000 1.134 1096 S CA -0.589 57.673 58.200 0.104 0.000 0.897 1096 S CB 1.258 64.525 63.200 0.112 0.000 1.094 1096 S HN 0.137 nan 8.310 nan 0.000 0.473 1097 E N 2.142 122.373 120.200 0.052 0.000 2.152 1097 E HA 0.051 4.400 4.350 -0.000 0.000 0.192 1097 E C -0.046 176.584 176.600 0.051 0.000 0.983 1097 E CA 0.964 57.389 56.400 0.042 0.000 0.818 1097 E CB 0.077 29.795 29.700 0.029 0.000 0.758 1097 E HN 0.458 nan 8.360 nan 0.000 0.467 1098 K N 1.124 121.559 120.400 0.058 0.000 2.110 1098 K HA 0.221 4.541 4.320 -0.000 0.000 0.260 1098 K C -0.569 176.082 176.600 0.085 0.000 1.126 1098 K CA 0.053 56.378 56.287 0.063 0.000 1.005 1098 K CB 0.105 32.640 32.500 0.058 0.000 1.336 1098 K HN 0.101 nan 8.250 nan 0.000 0.369 1099 I N 1.628 122.249 120.570 0.084 0.000 2.499 1099 I HA 0.164 4.334 4.170 -0.000 0.000 0.288 1099 I C -1.123 175.061 176.117 0.110 0.000 1.048 1099 I CA -0.701 60.660 61.300 0.102 0.000 1.062 1099 I CB 1.589 39.639 38.000 0.083 0.000 1.238 1099 I HN 0.456 nan 8.210 nan 0.000 0.426 1100 E N 8.114 128.414 120.200 0.166 0.000 2.113 1100 E HA 0.414 4.764 4.350 -0.000 0.000 0.273 1100 E C -1.192 175.518 176.600 0.183 0.000 0.924 1100 E CA -0.638 55.876 56.400 0.189 0.000 0.764 1100 E CB 1.152 31.006 29.700 0.256 0.000 1.104 1100 E HN 0.567 nan 8.360 nan 0.000 0.406 1101 I N 4.859 125.494 120.570 0.109 0.000 2.322 1101 I HA 0.171 4.341 4.170 -0.000 0.000 0.292 1101 I C 0.921 177.084 176.117 0.077 0.000 1.060 1101 I CA -0.102 61.230 61.300 0.053 0.000 1.309 1101 I CB 1.397 39.414 38.000 0.027 0.000 1.415 1101 I HN 0.696 nan 8.210 nan 0.000 0.492 1102 A N 4.772 127.631 122.820 0.066 0.000 1.984 1102 A HA 0.179 4.499 4.320 -0.000 0.000 0.214 1102 A C 0.993 178.604 177.584 0.045 0.000 1.173 1102 A CA 1.066 53.177 52.037 0.122 0.000 0.673 1102 A CB 0.031 19.179 19.000 0.246 0.000 0.830 1102 A HN 0.730 nan 8.150 nan 0.000 0.453 1103 S N -2.684 112.996 115.700 -0.034 0.000 2.714 1103 S HA 0.357 4.827 4.470 -0.000 0.000 0.280 1103 S C 0.481 175.032 174.600 -0.082 0.000 1.200 1103 S CA 0.117 58.295 58.200 -0.037 0.000 0.900 1103 S CB -0.052 63.124 63.200 -0.041 0.000 1.235 1103 S HN 0.349 nan 8.310 nan 0.000 0.512 1104 I N 1.424 121.979 120.570 -0.024 0.000 2.700 1104 I HA -0.071 4.099 4.170 -0.000 0.000 0.261 1104 I C 0.802 176.788 176.117 -0.217 0.000 1.219 1104 I CA 2.050 63.366 61.300 0.027 0.000 1.463 1104 I CB -0.119 38.034 38.000 0.254 0.000 1.092 1104 I HN 0.763 nan 8.210 nan 0.000 0.452 1105 D N -1.041 119.070 120.400 -0.482 0.000 2.582 1105 D HA 0.136 4.776 4.640 -0.000 0.000 0.246 1105 D C -0.237 175.254 176.300 -1.349 0.000 1.334 1105 D CA -0.181 53.102 54.000 -1.194 0.000 0.805 1105 D CB -0.021 40.307 40.800 -0.786 0.000 1.087 1105 D HN 0.323 nan 8.370 nan 0.000 0.499 1106 E N -0.053 119.645 120.200 -0.836 0.000 2.314 1106 E HA 0.759 5.109 4.350 -0.000 0.000 0.272 1106 E C -1.359 174.897 176.600 -0.574 0.000 0.884 1106 E CA -1.088 54.839 56.400 -0.787 0.000 0.753 1106 E CB 2.523 31.945 29.700 -0.463 0.000 1.213 1106 E HN 0.213 nan 8.360 nan 0.000 0.432 1107 A N 1.899 124.307 122.820 -0.686 0.000 2.539 1107 A HA 0.707 5.027 4.320 -0.000 0.000 0.296 1107 A C -1.922 175.390 177.584 -0.453 0.000 1.073 1107 A CA -0.616 51.193 52.037 -0.379 0.000 0.700 1107 A CB 0.867 19.746 19.000 -0.202 0.000 1.296 1107 A HN 0.538 nan 8.150 nan 0.000 0.405 1108 Y N 0.298 120.642 120.300 0.073 0.000 2.352 1108 Y HA 0.616 5.166 4.550 -0.000 0.000 0.339 1108 Y C -0.420 175.534 175.900 0.090 0.000 0.992 1108 Y CA -0.527 57.666 58.100 0.155 0.000 1.100 1108 Y CB 1.801 40.382 38.460 0.202 0.000 1.192 1108 Y HN 0.478 nan 8.280 nan 0.000 0.458 1109 L N 3.702 125.059 121.223 0.223 0.000 2.313 1109 L HA 0.320 4.659 4.340 -0.000 0.000 0.283 1109 L C -0.494 176.476 176.870 0.166 0.000 1.013 1109 L CA -0.513 54.422 54.840 0.159 0.000 0.816 1109 L CB 1.261 43.384 42.059 0.108 0.000 1.236 1109 L HN 0.538 nan 8.230 nan 0.000 0.419 1110 D N 4.012 124.493 120.400 0.136 0.000 2.365 1110 D HA 0.188 4.828 4.640 -0.000 0.000 0.237 1110 D C 0.623 176.978 176.300 0.091 0.000 1.190 1110 D CA -0.130 53.936 54.000 0.109 0.000 0.867 1110 D CB 0.797 41.646 40.800 0.082 0.000 1.050 1110 D HN 0.514 nan 8.370 nan 0.000 0.491 1111 I N 0.589 121.213 120.570 0.090 0.000 3.914 1111 I HA 0.166 4.336 4.170 -0.000 0.000 0.333 1111 I C 1.131 177.279 176.117 0.051 0.000 1.449 1111 I CA -0.540 60.806 61.300 0.077 0.000 1.135 1111 I CB 0.301 38.350 38.000 0.083 0.000 1.073 1111 I HN -0.008 nan 8.210 nan 0.000 0.401 1112 S N 1.509 117.235 115.700 0.042 0.000 2.402 1112 S HA -0.212 4.258 4.470 -0.000 0.000 0.233 1112 S C 1.228 175.834 174.600 0.010 0.000 1.030 1112 S CA 2.095 60.304 58.200 0.016 0.000 1.003 1112 S CB -0.326 62.882 63.200 0.015 0.000 0.813 1112 S HN 0.592 nan 8.310 nan 0.000 0.477 1113 D N -0.208 120.205 120.400 0.022 0.000 2.339 1113 D HA 0.110 4.750 4.640 -0.000 0.000 0.217 1113 D C 1.582 177.896 176.300 0.024 0.000 1.050 1113 D CA 0.385 54.396 54.000 0.018 0.000 0.856 1113 D CB 0.277 41.089 40.800 0.020 0.000 0.922 1113 D HN 0.066 nan 8.370 nan 0.000 0.518 1114 K N -0.439 119.981 120.400 0.034 0.000 2.365 1114 K HA 0.181 4.501 4.320 -0.000 0.000 0.195 1114 K C 0.565 177.187 176.600 0.038 0.000 1.079 1114 K CA 0.298 56.612 56.287 0.045 0.000 0.979 1114 K CB 0.945 33.489 32.500 0.073 0.000 0.929 1114 K HN 0.119 nan 8.250 nan 0.000 0.523 1115 V N -2.050 117.878 119.914 0.023 0.000 3.102 1115 V HA 0.499 4.619 4.120 -0.000 0.000 0.312 1115 V C 0.511 176.593 176.094 -0.019 0.000 1.135 1115 V CA -1.041 61.266 62.300 0.011 0.000 1.022 1115 V CB 2.456 34.292 31.823 0.023 0.000 1.056 1115 V HN -0.087 nan 8.190 nan 0.000 0.436 1116 R N 0.513 120.997 120.500 -0.027 0.000 2.308 1116 R HA 0.347 4.687 4.340 -0.000 0.000 0.202 1116 R C -0.557 175.689 176.300 -0.090 0.000 0.898 1116 R CA 0.813 56.884 56.100 -0.047 0.000 1.046 1116 R CB 0.312 30.597 30.300 -0.026 0.000 1.026 1116 R HN 1.051 nan 8.270 nan 0.000 0.512 1117 D N -3.824 116.512 120.400 -0.107 0.000 2.769 1117 D HA -0.044 4.596 4.640 -0.000 0.000 0.309 1117 D C -0.100 176.120 176.300 -0.135 0.000 1.315 1117 D CA -0.732 53.160 54.000 -0.181 0.000 0.780 1117 D CB -0.208 40.543 40.800 -0.082 0.000 1.312 1117 D HN -0.274 nan 8.370 nan 0.000 0.437 1118 Y N -0.198 120.127 120.300 0.042 0.000 2.352 1118 Y HA 0.094 4.644 4.550 -0.000 0.000 0.292 1118 Y C 2.571 178.523 175.900 0.086 0.000 1.136 1118 Y CA 1.200 59.339 58.100 0.065 0.000 1.227 1118 Y CB -0.257 38.236 38.460 0.055 0.000 0.991 1118 Y HN 0.407 nan 8.280 nan 0.000 0.545 1119 R N 0.713 121.317 120.500 0.173 0.000 2.073 1119 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 1119 R C 1.804 178.186 176.300 0.135 0.000 1.134 1119 R CA 1.896 58.060 56.100 0.108 0.000 0.952 1119 R CB -0.113 30.213 30.300 0.044 0.000 0.850 1119 R HN 0.396 nan 8.270 nan 0.000 0.433 1120 E N -0.351 119.911 120.200 0.102 0.000 2.152 1120 E HA -0.102 4.248 4.350 -0.000 0.000 0.192 1120 E C 1.919 178.589 176.600 0.118 0.000 0.983 1120 E CA 0.759 57.215 56.400 0.093 0.000 0.818 1120 E CB 0.014 29.745 29.700 0.051 0.000 0.758 1120 E HN 0.433 nan 8.360 nan 0.000 0.467 1121 A N 1.128 124.031 122.820 0.138 0.000 1.865 1121 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 1121 A C 2.021 179.707 177.584 0.169 0.000 1.191 1121 A CA 1.532 53.661 52.037 0.155 0.000 0.623 1121 A CB -1.055 18.081 19.000 0.228 0.000 0.826 1121 A HN 0.414 nan 8.150 nan 0.000 0.444 1122 Y N 1.400 121.758 120.300 0.096 0.000 2.102 1122 Y HA -0.325 4.225 4.550 -0.000 0.000 0.280 1122 Y C 2.350 178.268 175.900 0.030 0.000 1.178 1122 Y CA 2.336 60.471 58.100 0.059 0.000 1.146 1122 Y CB -0.197 38.299 38.460 0.059 0.000 0.968 1122 Y HN 0.360 nan 8.280 nan 0.000 0.504 1123 N N 0.280 119.160 118.700 0.299 0.000 2.166 1123 N HA -0.184 4.556 4.740 -0.000 0.000 0.186 1123 N C 1.758 177.304 175.510 0.059 0.000 1.019 1123 N CA 1.447 54.606 53.050 0.181 0.000 0.856 1123 N CB -0.561 38.013 38.487 0.145 0.000 0.993 1123 N HN 0.388 nan 8.380 nan 0.000 0.426 1124 L N 0.979 122.225 121.223 0.039 0.000 2.072 1124 L HA 0.098 4.438 4.340 -0.000 0.000 0.205 1124 L C 2.146 178.933 176.870 -0.139 0.000 1.079 1124 L CA 1.502 56.329 54.840 -0.022 0.000 0.752 1124 L CB -1.119 40.948 42.059 0.014 0.000 0.906 1124 L HN 0.113 nan 8.230 nan 0.000 0.436 1125 G N -0.450 108.272 108.800 -0.130 0.000 2.440 1125 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.218 1125 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.218 1125 G C 1.704 176.470 174.900 -0.225 0.000 1.154 1125 G CA 1.078 46.060 45.100 -0.197 0.000 0.767 1125 G HN 0.407 nan 8.290 nan 0.000 0.552 1126 L N -0.176 120.919 121.223 -0.214 0.000 2.083 1126 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 1126 L C 2.847 179.656 176.870 -0.102 0.000 1.083 1126 L CA 1.378 56.118 54.840 -0.166 0.000 0.752 1126 L CB -0.168 41.834 42.059 -0.095 0.000 0.899 1126 L HN 0.327 nan 8.230 nan 0.000 0.433 1127 E N 0.080 120.229 120.200 -0.086 0.000 2.152 1127 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 1127 E C 2.270 178.798 176.600 -0.120 0.000 0.983 1127 E CA 0.936 57.307 56.400 -0.049 0.000 0.818 1127 E CB 0.062 29.771 29.700 0.015 0.000 0.758 1127 E HN 0.540 nan 8.360 nan 0.000 0.467 1128 I N 0.813 121.202 120.570 -0.301 0.000 2.202 1128 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 1128 I C 2.485 178.481 176.117 -0.203 0.000 1.091 1128 I CA 1.056 62.099 61.300 -0.428 0.000 1.368 1128 I CB -0.098 37.558 38.000 -0.574 0.000 1.058 1128 I HN 0.030 nan 8.210 nan 0.000 0.410 1129 K N 0.585 120.885 120.400 -0.166 0.000 2.020 1129 K HA -0.236 4.084 4.320 -0.000 0.000 0.212 1129 K C 1.898 178.452 176.600 -0.077 0.000 1.050 1129 K CA 1.956 58.175 56.287 -0.115 0.000 0.929 1129 K CB -0.296 32.138 32.500 -0.110 0.000 0.714 1129 K HN 0.255 nan 8.250 nan 0.000 0.443 1130 N N 0.979 119.644 118.700 -0.059 0.000 2.104 1130 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 1130 N C 1.598 177.105 175.510 -0.006 0.000 1.024 1130 N CA 1.254 54.290 53.050 -0.023 0.000 0.853 1130 N CB -0.192 38.291 38.487 -0.005 0.000 1.008 1130 N HN 0.045 nan 8.380 nan 0.000 0.424 1131 K N 0.847 121.254 120.400 0.010 0.000 2.097 1131 K HA 0.133 4.452 4.320 -0.000 0.000 0.205 1131 K C 1.764 178.375 176.600 0.017 0.000 1.050 1131 K CA 0.692 57.012 56.287 0.054 0.000 0.938 1131 K CB -0.212 32.390 32.500 0.170 0.000 0.718 1131 K HN 0.196 nan 8.250 nan 0.000 0.442 1132 I N -0.044 120.513 120.570 -0.023 0.000 2.617 1132 I HA -0.169 4.001 4.170 -0.000 0.000 0.256 1132 I C 1.733 177.810 176.117 -0.066 0.000 1.167 1132 I CA 0.236 61.498 61.300 -0.063 0.000 1.469 1132 I CB -0.065 37.864 38.000 -0.119 0.000 1.098 1132 I HN 0.115 nan 8.210 nan 0.000 0.436 1133 L N 0.889 122.083 121.223 -0.048 0.000 2.072 1133 L HA -0.134 4.206 4.340 -0.000 0.000 0.205 1133 L C 2.383 179.242 176.870 -0.018 0.000 1.079 1133 L CA 1.800 56.619 54.840 -0.035 0.000 0.752 1133 L CB -0.763 41.279 42.059 -0.027 0.000 0.906 1133 L HN 0.218 nan 8.230 nan 0.000 0.436 1134 E N -1.073 119.122 120.200 -0.008 0.000 2.204 1134 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 1134 E C 1.545 178.144 176.600 -0.002 0.000 0.990 1134 E CA 0.979 57.379 56.400 0.000 0.000 0.821 1134 E CB 0.243 29.949 29.700 0.010 0.000 0.750 1134 E HN 0.321 nan 8.360 nan 0.000 0.477 1135 K N -0.618 119.777 120.400 -0.008 0.000 2.365 1135 K HA 0.074 4.394 4.320 -0.000 0.000 0.195 1135 K C 1.016 177.606 176.600 -0.017 0.000 1.079 1135 K CA 0.406 56.688 56.287 -0.008 0.000 0.979 1135 K CB 0.827 33.325 32.500 -0.003 0.000 0.929 1135 K HN 0.026 nan 8.250 nan 0.000 0.523 1136 E N 0.084 120.266 120.200 -0.031 0.000 2.676 1136 E HA 0.088 4.438 4.350 -0.000 0.000 0.225 1136 E C -0.314 176.269 176.600 -0.030 0.000 0.944 1136 E CA -0.099 56.280 56.400 -0.034 0.000 1.156 1136 E CB 0.911 30.574 29.700 -0.061 0.000 1.117 1136 E HN -0.071 nan 8.360 nan 0.000 0.523 1137 K N 1.036 121.420 120.400 -0.027 0.000 3.071 1137 K HA -0.149 4.171 4.320 -0.000 0.000 0.265 1137 K C -0.462 176.122 176.600 -0.025 0.000 1.060 1137 K CA 0.478 56.755 56.287 -0.017 0.000 0.767 1137 K CB -1.228 31.271 32.500 -0.001 0.000 1.241 1137 K HN 0.183 nan 8.250 nan 0.000 0.486 1138 I N 1.877 122.410 120.570 -0.061 0.000 2.382 1138 I HA 0.090 4.260 4.170 -0.000 0.000 0.286 1138 I C 1.152 177.208 176.117 -0.102 0.000 1.002 1138 I CA -0.474 60.773 61.300 -0.087 0.000 1.135 1138 I CB 1.428 39.330 38.000 -0.163 0.000 1.288 1138 I HN 0.084 nan 8.210 nan 0.000 0.448 1139 T N 4.611 119.117 114.554 -0.080 0.000 2.919 1139 T HA 0.540 4.890 4.350 -0.000 0.000 0.302 1139 T C 0.055 174.703 174.700 -0.086 0.000 1.031 1139 T CA -0.457 61.597 62.100 -0.076 0.000 1.127 1139 T CB 1.292 70.127 68.868 -0.055 0.000 0.952 1139 T HN 0.486 nan 8.240 nan 0.000 0.540 1140 V N -0.115 119.761 119.914 -0.063 0.000 3.141 1140 V HA 0.892 5.012 4.120 -0.000 0.000 0.312 1140 V C -0.377 175.692 176.094 -0.041 0.000 1.157 1140 V CA -0.980 61.308 62.300 -0.020 0.000 1.041 1140 V CB 1.895 33.727 31.823 0.015 0.000 1.071 1140 V HN 1.019 nan 8.190 nan 0.000 0.441 1141 T N 1.400 115.929 114.554 -0.041 0.000 2.841 1141 T HA 0.715 5.065 4.350 -0.000 0.000 0.283 1141 T C -0.741 173.924 174.700 -0.058 0.000 1.000 1141 T CA -0.393 61.683 62.100 -0.040 0.000 0.977 1141 T CB 1.635 70.502 68.868 -0.001 0.000 0.979 1141 T HN 0.760 nan 8.240 nan 0.000 0.446 1142 V N 2.130 122.014 119.914 -0.050 0.000 2.448 1142 V HA 0.753 4.873 4.120 -0.000 0.000 0.295 1142 V C 0.491 176.605 176.094 0.034 0.000 1.025 1142 V CA -0.712 61.563 62.300 -0.041 0.000 0.859 1142 V CB 1.830 33.589 31.823 -0.107 0.000 0.988 1142 V HN 1.059 nan 8.190 nan 0.000 0.431 1143 G N 5.103 113.986 108.800 0.139 0.000 2.866 1143 G HA2 0.642 4.602 3.960 -0.000 0.000 0.318 1143 G HA3 0.642 4.602 3.960 -0.000 0.000 0.318 1143 G C -0.789 174.210 174.900 0.165 0.000 1.336 1143 G CA -0.339 44.852 45.100 0.152 0.000 1.067 1143 G HN 0.574 nan 8.290 nan 0.000 0.515 1144 I N 1.876 122.515 120.570 0.114 0.000 2.395 1144 I HA 0.566 4.736 4.170 -0.000 0.000 0.289 1144 I C 0.693 176.875 176.117 0.109 0.000 1.023 1144 I CA 0.347 61.739 61.300 0.153 0.000 1.350 1144 I CB 1.671 39.779 38.000 0.180 0.000 1.409 1144 I HN 0.427 nan 8.210 nan 0.000 0.507 1145 S N 3.323 119.134 115.700 0.185 0.000 2.755 1145 S HA 0.348 4.818 4.470 -0.000 0.000 0.286 1145 S C 0.364 175.134 174.600 0.284 0.000 1.207 1145 S CA -0.633 57.649 58.200 0.137 0.000 0.892 1145 S CB 0.889 64.164 63.200 0.125 0.000 1.240 1145 S HN 0.691 nan 8.310 nan 0.000 0.525 1146 K N 0.275 120.816 120.400 0.235 0.000 2.361 1146 K HA 0.180 4.500 4.320 -0.000 0.000 0.196 1146 K C 0.352 177.074 176.600 0.202 0.000 1.039 1146 K CA 0.610 57.033 56.287 0.227 0.000 1.001 1146 K CB -0.406 32.193 32.500 0.165 0.000 0.795 1146 K HN 0.473 nan 8.250 nan 0.000 0.495 1147 N N -0.372 118.483 118.700 0.259 0.000 3.102 1147 N HA 0.168 4.908 4.740 -0.000 0.000 0.299 1147 N C -0.150 175.504 175.510 0.240 0.000 1.482 1147 N CA -1.078 52.134 53.050 0.270 0.000 0.785 1147 N CB 0.987 39.733 38.487 0.432 0.000 1.680 1147 N HN -0.261 nan 8.380 nan 0.000 0.594 1148 K N -0.615 119.900 120.400 0.193 0.000 2.103 1148 K HA 0.026 4.346 4.320 -0.000 0.000 0.204 1148 K C 1.412 178.009 176.600 -0.005 0.000 1.052 1148 K CA 1.206 57.491 56.287 -0.002 0.000 0.945 1148 K CB -0.290 31.988 32.500 -0.370 0.000 0.722 1148 K HN 0.311 nan 8.250 nan 0.000 0.443 1149 V N 0.773 120.640 119.914 -0.078 0.000 2.307 1149 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 1149 V C 1.959 177.838 176.094 -0.359 0.000 1.045 1149 V CA 1.686 63.763 62.300 -0.370 0.000 1.024 1149 V CB -0.518 30.803 31.823 -0.836 0.000 0.651 1149 V HN 0.135 nan 8.190 nan 0.000 0.449 1150 F N 0.847 120.735 119.950 -0.104 0.000 2.186 1150 F HA -0.035 4.491 4.527 -0.000 0.000 0.299 1150 F C 2.446 178.222 175.800 -0.041 0.000 1.090 1150 F CA 1.133 59.089 58.000 -0.073 0.000 1.307 1150 F CB -1.055 37.915 39.000 -0.050 0.000 1.019 1150 F HN 0.068 nan 8.300 nan 0.000 0.489 1151 A N 0.254 123.175 122.820 0.167 0.000 1.873 1151 A HA -0.315 4.005 4.320 -0.000 0.000 0.218 1151 A C 2.261 179.840 177.584 -0.008 0.000 1.193 1151 A CA 2.280 54.406 52.037 0.150 0.000 0.629 1151 A CB -0.921 18.239 19.000 0.266 0.000 0.826 1151 A HN 0.355 nan 8.150 nan 0.000 0.447 1152 K N -0.452 119.791 120.400 -0.261 0.000 2.032 1152 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 1152 K C 1.855 178.313 176.600 -0.236 0.000 1.048 1152 K CA 1.744 57.662 56.287 -0.614 0.000 0.927 1152 K CB -0.363 31.765 32.500 -0.619 0.000 0.712 1152 K HN 0.539 nan 8.250 nan 0.000 0.441 1153 I N 0.886 121.365 120.570 -0.152 0.000 2.163 1153 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 1153 I C 2.492 178.606 176.117 -0.005 0.000 1.085 1153 I CA 1.277 62.529 61.300 -0.080 0.000 1.347 1153 I CB -0.499 37.451 38.000 -0.083 0.000 1.044 1153 I HN 0.262 nan 8.210 nan 0.000 0.408 1154 A N 0.882 123.723 122.820 0.035 0.000 1.948 1154 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 1154 A C 2.546 180.163 177.584 0.056 0.000 1.177 1154 A CA 2.199 54.267 52.037 0.051 0.000 0.636 1154 A CB -0.920 18.118 19.000 0.063 0.000 0.815 1154 A HN 0.478 nan 8.150 nan 0.000 0.449 1155 A N -0.051 122.820 122.820 0.085 0.000 1.877 1155 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 1155 A C 1.824 179.457 177.584 0.082 0.000 1.186 1155 A CA 1.836 53.949 52.037 0.126 0.000 0.620 1155 A CB -0.669 18.510 19.000 0.298 0.000 0.822 1155 A HN 0.508 nan 8.150 nan 0.000 0.443 1156 D N -0.352 120.081 120.400 0.056 0.000 2.116 1156 D HA -0.214 4.426 4.640 -0.000 0.000 0.193 1156 D C 2.006 178.326 176.300 0.035 0.000 0.998 1156 D CA 1.838 55.864 54.000 0.043 0.000 0.836 1156 D CB -0.373 40.436 40.800 0.015 0.000 0.951 1156 D HN 0.510 nan 8.370 nan 0.000 0.449 1157 M N 0.592 120.207 119.600 0.025 0.000 2.065 1157 M HA -0.184 4.296 4.480 -0.000 0.000 0.259 1157 M C 2.289 178.595 176.300 0.010 0.000 1.069 1157 M CA 1.928 57.239 55.300 0.017 0.000 1.110 1157 M CB -0.173 32.438 32.600 0.018 0.000 1.328 1157 M HN -0.019 nan 8.290 nan 0.000 0.405 1158 A N -0.715 122.115 122.820 0.016 0.000 2.067 1158 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 1158 A C 1.824 179.403 177.584 -0.008 0.000 1.156 1158 A CA 0.716 52.756 52.037 0.004 0.000 0.683 1158 A CB -0.326 18.678 19.000 0.007 0.000 0.808 1158 A HN 0.306 nan 8.150 nan 0.000 0.455 1159 K N -0.478 119.929 120.400 0.013 0.000 2.152 1159 K HA -0.215 4.105 4.320 -0.000 0.000 0.206 1159 K C -1.664 174.932 176.600 -0.006 0.000 0.754 1159 K CA 1.950 58.255 56.287 0.029 0.000 1.053 1159 K CB -2.583 29.966 32.500 0.082 0.000 0.869 1159 K HN 0.270 nan 8.250 nan 0.000 0.660 1160 P HA 0.019 nan 4.420 nan 0.000 0.258 1160 P C -0.111 177.164 177.300 -0.041 0.000 1.214 1160 P CA 0.538 63.572 63.100 -0.110 0.000 0.872 1160 P CB -0.125 31.391 31.700 -0.306 0.000 0.890 1161 N N 1.659 120.354 118.700 -0.007 0.000 2.741 1161 N HA -0.167 4.573 4.740 -0.000 0.000 0.251 1161 N C 0.423 175.918 175.510 -0.026 0.000 1.112 1161 N CA 1.367 54.410 53.050 -0.013 0.000 0.750 1161 N CB -1.251 37.238 38.487 0.004 0.000 1.119 1161 N HN 0.522 nan 8.380 nan 0.000 0.561 1162 G N -0.172 108.611 108.800 -0.028 0.000 2.532 1162 G HA2 0.693 4.653 3.960 -0.000 0.000 0.291 1162 G HA3 0.693 4.653 3.960 -0.000 0.000 0.291 1162 G C -0.435 174.431 174.900 -0.057 0.000 1.349 1162 G CA -0.061 45.021 45.100 -0.031 0.000 1.038 1162 G HN 0.603 nan 8.290 nan 0.000 0.518 1163 I N -1.111 119.422 120.570 -0.063 0.000 2.744 1163 I HA 0.545 4.715 4.170 -0.000 0.000 0.285 1163 I C -1.622 174.459 176.117 -0.059 0.000 1.530 1163 I CA -0.776 60.450 61.300 -0.124 0.000 1.064 1163 I CB 1.881 39.702 38.000 -0.299 0.000 1.429 1163 I HN 0.639 nan 8.210 nan 0.000 0.425 1164 K N 6.200 126.589 120.400 -0.017 0.000 2.542 1164 K HA 0.716 5.036 4.320 -0.000 0.000 0.259 1164 K C -2.181 174.452 176.600 0.054 0.000 0.932 1164 K CA -0.582 55.739 56.287 0.058 0.000 0.820 1164 K CB 2.346 34.873 32.500 0.045 0.000 1.345 1164 K HN 0.347 nan 8.250 nan 0.000 0.432 1165 V N 4.770 124.728 119.914 0.073 0.000 2.547 1165 V HA 0.491 4.611 4.120 -0.000 0.000 0.299 1165 V C -0.129 175.889 176.094 -0.127 0.000 1.040 1165 V CA -0.746 61.533 62.300 -0.035 0.000 0.913 1165 V CB 1.497 33.306 31.823 -0.023 0.000 0.992 1165 V HN 0.690 nan 8.190 nan 0.000 0.449 1166 I N 4.050 124.489 120.570 -0.218 0.000 2.371 1166 I HA 0.268 4.438 4.170 -0.000 0.000 0.282 1166 I C -0.073 175.808 176.117 -0.393 0.000 1.031 1166 I CA -0.491 60.681 61.300 -0.213 0.000 1.180 1166 I CB 0.901 38.845 38.000 -0.094 0.000 1.336 1166 I HN 0.646 nan 8.210 nan 0.000 0.467 1167 D N 5.752 125.954 120.400 -0.330 0.000 2.449 1167 D HA -0.059 4.581 4.640 -0.000 0.000 0.236 1167 D C 0.754 176.942 176.300 -0.188 0.000 1.149 1167 D CA -0.001 53.823 54.000 -0.294 0.000 0.878 1167 D CB 0.893 41.617 40.800 -0.126 0.000 1.198 1167 D HN 0.498 nan 8.370 nan 0.000 0.446 1168 D N 1.439 121.818 120.400 -0.034 0.000 2.244 1168 D HA -0.240 4.400 4.640 -0.000 0.000 0.197 1168 D C 1.347 177.604 176.300 -0.072 0.000 1.006 1168 D CA 1.365 55.364 54.000 -0.002 0.000 0.888 1168 D CB 0.057 40.907 40.800 0.084 0.000 0.912 1168 D HN 0.422 nan 8.370 nan 0.000 0.452 1169 E N 0.213 120.375 120.200 -0.063 0.000 2.033 1169 E HA -0.120 4.230 4.350 -0.000 0.000 0.189 1169 E C 2.006 178.550 176.600 -0.093 0.000 0.979 1169 E CA 0.580 56.941 56.400 -0.066 0.000 0.802 1169 E CB -0.249 29.426 29.700 -0.040 0.000 0.763 1169 E HN 0.507 nan 8.360 nan 0.000 0.449 1170 E N 0.864 121.000 120.200 -0.106 0.000 2.333 1170 E HA -0.122 4.228 4.350 -0.000 0.000 0.198 1170 E C 1.942 178.458 176.600 -0.140 0.000 1.007 1170 E CA 0.387 56.726 56.400 -0.102 0.000 0.845 1170 E CB 0.194 29.839 29.700 -0.092 0.000 0.766 1170 E HN -0.051 nan 8.360 nan 0.000 0.507 1171 V N 1.401 121.175 119.914 -0.233 0.000 2.261 1171 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 1171 V C 2.341 178.285 176.094 -0.250 0.000 1.047 1171 V CA 1.909 63.960 62.300 -0.415 0.000 1.015 1171 V CB -0.380 31.076 31.823 -0.612 0.000 0.642 1171 V HN 0.264 nan 8.190 nan 0.000 0.446 1172 K N 0.380 120.682 120.400 -0.165 0.000 2.103 1172 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 1172 K C 2.206 178.777 176.600 -0.049 0.000 1.048 1172 K CA 1.849 58.083 56.287 -0.088 0.000 0.930 1172 K CB -0.433 32.027 32.500 -0.067 0.000 0.716 1172 K HN 0.592 nan 8.250 nan 0.000 0.444 1173 R N 0.886 121.356 120.500 -0.050 0.000 2.153 1173 R HA 0.038 4.378 4.340 -0.000 0.000 0.218 1173 R C 2.122 178.417 176.300 -0.007 0.000 1.072 1173 R CA 0.841 56.925 56.100 -0.026 0.000 0.990 1173 R CB -0.514 29.768 30.300 -0.029 0.000 0.889 1173 R HN 0.056 nan 8.270 nan 0.000 0.452 1174 L N 0.267 121.490 121.223 0.000 0.000 2.072 1174 L HA -0.002 4.338 4.340 -0.000 0.000 0.205 1174 L C 2.369 179.288 176.870 0.081 0.000 1.079 1174 L CA 1.091 55.964 54.840 0.056 0.000 0.752 1174 L CB -0.360 41.771 42.059 0.121 0.000 0.906 1174 L HN 0.188 nan 8.230 nan 0.000 0.436 1175 I N -0.195 120.426 120.570 0.085 0.000 2.113 1175 I HA -0.414 3.756 4.170 -0.000 0.000 0.242 1175 I C 2.762 178.899 176.117 0.033 0.000 1.057 1175 I CA 1.679 63.023 61.300 0.073 0.000 1.314 1175 I CB -0.328 37.700 38.000 0.048 0.000 1.022 1175 I HN 0.237 nan 8.210 nan 0.000 0.408 1176 R N -0.004 120.505 120.500 0.016 0.000 2.090 1176 R HA -0.079 4.260 4.340 -0.000 0.000 0.228 1176 R C 1.802 178.107 176.300 0.008 0.000 1.110 1176 R CA 1.183 57.288 56.100 0.008 0.000 0.973 1176 R CB -0.057 30.244 30.300 0.000 0.000 0.869 1176 R HN 0.450 nan 8.270 nan 0.000 0.440 1177 E N -0.017 120.189 120.200 0.010 0.000 2.490 1177 E HA 0.078 4.428 4.350 -0.000 0.000 0.209 1177 E C -0.294 176.312 176.600 0.009 0.000 0.971 1177 E CA -0.264 56.140 56.400 0.007 0.000 0.988 1177 E CB 0.643 30.345 29.700 0.003 0.000 1.029 1177 E HN 0.036 nan 8.360 nan 0.000 0.496 1178 L N 2.091 123.324 121.223 0.016 0.000 2.281 1178 L HA 0.211 4.551 4.340 -0.000 0.000 0.285 1178 L C -0.337 176.534 176.870 0.001 0.000 1.074 1178 L CA -0.517 54.330 54.840 0.012 0.000 0.817 1178 L CB 0.860 42.932 42.059 0.022 0.000 1.168 1178 L HN -0.195 nan 8.230 nan 0.000 0.434 1179 D N 4.018 124.417 120.400 -0.002 0.000 2.570 1179 D HA -0.144 4.496 4.640 -0.000 0.000 0.243 1179 D C 1.354 177.646 176.300 -0.013 0.000 1.171 1179 D CA 0.694 54.690 54.000 -0.006 0.000 0.879 1179 D CB 0.510 41.307 40.800 -0.005 0.000 1.143 1179 D HN 0.660 nan 8.370 nan 0.000 0.511 1180 I N 3.572 124.135 120.570 -0.013 0.000 2.502 1180 I HA -0.308 3.862 4.170 -0.000 0.000 0.258 1180 I C 1.803 177.908 176.117 -0.020 0.000 1.172 1180 I CA 1.114 62.402 61.300 -0.020 0.000 1.430 1180 I CB 0.068 38.061 38.000 -0.013 0.000 1.086 1180 I HN 0.581 nan 8.210 nan 0.000 0.440 1181 A N -0.144 122.667 122.820 -0.015 0.000 2.015 1181 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 1181 A C 1.661 179.232 177.584 -0.021 0.000 1.163 1181 A CA 1.634 53.662 52.037 -0.015 0.000 0.646 1181 A CB -0.424 18.569 19.000 -0.011 0.000 0.806 1181 A HN 0.424 nan 8.150 nan 0.000 0.448 1182 D N -0.391 119.994 120.400 -0.025 0.000 2.363 1182 D HA 0.088 4.728 4.640 -0.000 0.000 0.226 1182 D C 0.132 176.398 176.300 -0.056 0.000 1.020 1182 D CA 0.272 54.253 54.000 -0.032 0.000 0.892 1182 D CB -0.049 40.736 40.800 -0.024 0.000 0.900 1182 D HN 0.165 nan 8.370 nan 0.000 0.531 1183 V N 2.430 122.308 119.914 -0.061 0.000 2.488 1183 V HA 0.138 4.258 4.120 -0.000 0.000 0.277 1183 V C -2.019 174.047 176.094 -0.047 0.000 1.046 1183 V CA -1.669 60.579 62.300 -0.087 0.000 0.986 1183 V CB 1.192 32.961 31.823 -0.091 0.000 0.989 1183 V HN -0.102 nan 8.190 nan 0.000 0.475 1184 P HA 0.130 nan 4.420 nan 0.000 0.260 1184 P C 0.929 178.200 177.300 -0.050 0.000 1.172 1184 P CA 1.548 64.612 63.100 -0.060 0.000 0.760 1184 P CB 0.336 31.981 31.700 -0.092 0.000 0.773 1185 G N 3.037 111.780 108.800 -0.096 0.000 2.176 1185 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.232 1185 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.232 1185 G C 0.009 174.853 174.900 -0.093 0.000 0.986 1185 G CA -0.520 44.481 45.100 -0.166 0.000 0.643 1185 G HN 0.478 nan 8.290 nan 0.000 0.522 1186 I N 2.580 123.128 120.570 -0.036 0.000 2.460 1186 I HA 0.505 4.675 4.170 -0.000 0.000 0.277 1186 I C 1.290 177.392 176.117 -0.025 0.000 1.057 1186 I CA -0.489 60.801 61.300 -0.016 0.000 1.179 1186 I CB 0.045 38.051 38.000 0.011 0.000 1.329 1186 I HN 0.147 nan 8.210 nan 0.000 0.478 1187 G N 4.016 112.798 108.800 -0.030 0.000 2.504 1187 G HA2 0.038 3.998 3.960 -0.000 0.000 0.257 1187 G HA3 0.038 3.998 3.960 -0.000 0.000 0.257 1187 G C 0.745 175.633 174.900 -0.021 0.000 1.451 1187 G CA -0.076 45.008 45.100 -0.027 0.000 1.059 1187 G HN 0.472 nan 8.290 nan 0.000 0.550 1188 N N -1.242 117.447 118.700 -0.019 0.000 2.216 1188 N HA -0.037 4.703 4.740 -0.000 0.000 0.183 1188 N C 2.098 177.599 175.510 -0.015 0.000 1.017 1188 N CA 0.376 53.417 53.050 -0.015 0.000 0.861 1188 N CB -0.005 38.474 38.487 -0.014 0.000 0.986 1188 N HN 0.259 nan 8.380 nan 0.000 0.428 1189 I N 0.261 120.821 120.570 -0.017 0.000 2.277 1189 I HA -0.112 4.057 4.170 -0.000 0.000 0.243 1189 I C 1.718 177.826 176.117 -0.016 0.000 1.094 1189 I CA 1.133 62.423 61.300 -0.016 0.000 1.393 1189 I CB -1.367 36.622 38.000 -0.018 0.000 1.078 1189 I HN 0.138 nan 8.210 nan 0.000 0.417 1190 T N 1.583 116.127 114.554 -0.018 0.000 2.720 1190 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 1190 T C 1.928 176.622 174.700 -0.011 0.000 1.037 1190 T CA 1.564 63.655 62.100 -0.015 0.000 1.144 1190 T CB -0.417 68.442 68.868 -0.015 0.000 0.864 1190 T HN 0.418 nan 8.240 nan 0.000 0.444 1191 A N 0.941 123.755 122.820 -0.010 0.000 2.125 1191 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 1191 A C 2.176 179.755 177.584 -0.008 0.000 1.156 1191 A CA 1.702 53.734 52.037 -0.008 0.000 0.671 1191 A CB -0.424 18.570 19.000 -0.009 0.000 0.794 1191 A HN 0.439 nan 8.150 nan 0.000 0.459 1192 E N 0.260 120.454 120.200 -0.010 0.000 2.057 1192 E HA -0.034 4.316 4.350 -0.000 0.000 0.190 1192 E C 1.782 178.376 176.600 -0.010 0.000 0.969 1192 E CA 1.255 57.649 56.400 -0.009 0.000 0.812 1192 E CB -0.281 29.413 29.700 -0.010 0.000 0.777 1192 E HN 0.450 nan 8.360 nan 0.000 0.455 1193 K N -0.293 120.100 120.400 -0.012 0.000 2.585 1193 K HA 0.003 4.323 4.320 -0.000 0.000 0.194 1193 K C 1.111 177.704 176.600 -0.013 0.000 1.037 1193 K CA 0.528 56.806 56.287 -0.014 0.000 0.964 1193 K CB -0.007 32.483 32.500 -0.018 0.000 0.787 1193 K HN 0.198 nan 8.250 nan 0.000 0.488 1194 L N -1.336 119.881 121.223 -0.009 0.000 2.717 1194 L HA 0.099 4.439 4.340 -0.000 0.000 0.239 1194 L C 1.748 178.614 176.870 -0.005 0.000 1.086 1194 L CA -0.011 54.825 54.840 -0.007 0.000 0.897 1194 L CB 0.094 42.151 42.059 -0.003 0.000 1.214 1194 L HN -0.050 nan 8.230 nan 0.000 0.508 1195 K N 0.309 120.705 120.400 -0.006 0.000 2.155 1195 K HA -0.072 4.247 4.320 -0.000 0.000 0.203 1195 K C 1.837 178.434 176.600 -0.005 0.000 1.052 1195 K CA 0.663 56.947 56.287 -0.005 0.000 0.948 1195 K CB 0.189 32.686 32.500 -0.005 0.000 0.728 1195 K HN -0.025 nan 8.250 nan 0.000 0.448 1196 K N 0.728 121.124 120.400 -0.007 0.000 2.432 1196 K HA 0.014 4.334 4.320 -0.000 0.000 0.196 1196 K C 1.424 178.019 176.600 -0.007 0.000 1.038 1196 K CA 0.454 56.737 56.287 -0.007 0.000 0.986 1196 K CB 0.268 32.763 32.500 -0.009 0.000 0.782 1196 K HN 0.115 nan 8.250 nan 0.000 0.485 1197 L N -0.688 120.531 121.223 -0.007 0.000 2.585 1197 L HA 0.098 4.438 4.340 -0.000 0.000 0.226 1197 L C 1.060 177.928 176.870 -0.003 0.000 1.113 1197 L CA 1.075 55.911 54.840 -0.007 0.000 0.876 1197 L CB -0.112 41.941 42.059 -0.009 0.000 1.072 1197 L HN 0.385 nan 8.230 nan 0.000 0.468 1198 G N 0.731 109.530 108.800 -0.003 0.000 2.175 1198 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.244 1198 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.244 1198 G C 0.407 175.307 174.900 0.000 0.000 0.982 1198 G CA -0.134 44.966 45.100 -0.001 0.000 0.641 1198 G HN 0.298 nan 8.290 nan 0.000 0.527 1199 I N 1.648 122.218 120.570 0.001 0.000 2.294 1199 I HA 0.268 4.438 4.170 -0.000 0.000 0.295 1199 I C 0.793 176.910 176.117 0.000 0.000 1.098 1199 I CA -0.391 60.910 61.300 0.002 0.000 1.277 1199 I CB 0.739 38.742 38.000 0.005 0.000 1.434 1199 I HN -0.017 nan 8.210 nan 0.000 0.498 1200 N N 4.935 123.635 118.700 -0.000 0.000 2.184 1200 N HA 0.157 4.897 4.740 -0.000 0.000 0.206 1200 N C -0.190 175.319 175.510 -0.002 0.000 1.151 1200 N CA 0.278 53.327 53.050 -0.001 0.000 0.878 1200 N CB 0.738 39.225 38.487 -0.001 0.000 1.014 1200 N HN 0.445 nan 8.380 nan 0.000 0.512 1201 K N 0.243 120.643 120.400 -0.000 0.000 2.477 1201 K HA 0.303 4.623 4.320 -0.000 0.000 0.255 1201 K C 0.979 177.578 176.600 -0.000 0.000 0.952 1201 K CA -0.636 55.651 56.287 0.000 0.000 0.826 1201 K CB 1.922 34.424 32.500 0.003 0.000 1.331 1201 K HN -0.190 nan 8.250 nan 0.000 0.437 1202 L N 1.019 122.240 121.223 -0.002 0.000 2.064 1202 L HA -0.263 4.077 4.340 -0.000 0.000 0.216 1202 L C 2.308 179.181 176.870 0.005 0.000 1.077 1202 L CA 1.435 56.271 54.840 -0.006 0.000 0.766 1202 L CB -0.364 41.696 42.059 0.002 0.000 0.890 1202 L HN 0.484 nan 8.230 nan 0.000 0.435 1203 V N -0.007 119.914 119.914 0.011 0.000 2.469 1203 V HA -0.300 3.820 4.120 -0.000 0.000 0.251 1203 V C 1.770 177.871 176.094 0.011 0.000 1.064 1203 V CA 2.246 64.552 62.300 0.011 0.000 1.066 1203 V CB -0.420 31.409 31.823 0.009 0.000 0.667 1203 V HN 0.515 nan 8.190 nan 0.000 0.461 1204 D N -0.150 120.255 120.400 0.009 0.000 2.350 1204 D HA -0.104 4.536 4.640 -0.000 0.000 0.216 1204 D C 2.195 178.504 176.300 0.016 0.000 0.968 1204 D CA 1.471 55.478 54.000 0.010 0.000 0.894 1204 D CB -0.215 40.589 40.800 0.007 0.000 0.909 1204 D HN 0.736 nan 8.370 nan 0.000 0.520 1205 T N -0.717 113.848 114.554 0.019 0.000 2.821 1205 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 1205 T C 2.314 177.039 174.700 0.041 0.000 1.046 1205 T CA 0.528 62.647 62.100 0.031 0.000 1.139 1205 T CB -0.568 68.318 68.868 0.031 0.000 0.871 1205 T HN 0.158 nan 8.240 nan 0.000 0.454 1206 L N 1.093 122.334 121.223 0.030 0.000 2.046 1206 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 1206 L C 2.390 179.277 176.870 0.029 0.000 1.077 1206 L CA 1.074 55.931 54.840 0.029 0.000 0.747 1206 L CB -0.817 41.253 42.059 0.018 0.000 0.896 1206 L HN 0.213 nan 8.230 nan 0.000 0.432 1207 S N 0.118 115.832 115.700 0.023 0.000 2.942 1207 S HA 0.301 4.771 4.470 -0.000 0.000 0.244 1207 S C 0.296 174.910 174.600 0.023 0.000 1.011 1207 S CA 0.204 58.416 58.200 0.020 0.000 1.102 1207 S CB -0.545 62.663 63.200 0.014 0.000 0.812 1207 S HN 0.207 nan 8.310 nan 0.000 0.486 1208 I N 0.857 121.447 120.570 0.034 0.000 3.279 1208 I HA 0.295 4.465 4.170 -0.000 0.000 0.315 1208 I C -1.204 174.947 176.117 0.058 0.000 1.225 1208 I CA -1.190 60.132 61.300 0.037 0.000 0.947 1208 I CB 2.106 40.123 38.000 0.028 0.000 1.293 1208 I HN 0.134 nan 8.210 nan 0.000 0.468 1209 E N 2.018 122.250 120.200 0.054 0.000 2.301 1209 E HA 0.077 4.427 4.350 -0.000 0.000 0.275 1209 E C -0.299 176.367 176.600 0.110 0.000 1.030 1209 E CA -0.383 56.066 56.400 0.080 0.000 0.852 1209 E CB 1.542 31.273 29.700 0.051 0.000 1.060 1209 E HN 0.606 nan 8.360 nan 0.000 0.401 1210 F N 2.940 122.894 119.950 0.006 0.000 2.293 1210 F HA -0.028 4.499 4.527 -0.000 0.000 0.297 1210 F C 1.066 176.870 175.800 0.007 0.000 1.089 1210 F CA 1.191 59.195 58.000 0.008 0.000 1.377 1210 F CB 0.170 39.175 39.000 0.009 0.000 1.051 1210 F HN 0.433 nan 8.300 nan 0.000 0.511 1211 D N 0.576 120.948 120.400 -0.047 0.000 2.149 1211 D HA -0.194 4.446 4.640 -0.000 0.000 0.198 1211 D C 2.044 178.228 176.300 -0.193 0.000 0.990 1211 D CA 1.421 55.340 54.000 -0.134 0.000 0.839 1211 D CB -0.290 40.510 40.800 0.000 0.000 0.948 1211 D HN 0.318 nan 8.370 nan 0.000 0.460 1212 K N -0.330 119.991 120.400 -0.132 0.000 2.098 1212 K HA 0.012 4.332 4.320 -0.000 0.000 0.203 1212 K C 1.936 178.456 176.600 -0.133 0.000 1.051 1212 K CA 0.136 56.362 56.287 -0.103 0.000 0.957 1212 K CB -0.096 32.374 32.500 -0.051 0.000 0.738 1212 K HN -0.035 nan 8.250 nan 0.000 0.447 1213 L N 2.064 123.194 121.223 -0.155 0.000 2.017 1213 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 1213 L C 2.156 178.889 176.870 -0.228 0.000 1.073 1213 L CA 1.826 56.577 54.840 -0.148 0.000 0.745 1213 L CB -0.426 41.578 42.059 -0.091 0.000 0.894 1213 L HN 0.096 nan 8.230 nan 0.000 0.432 1214 K N -1.019 119.109 120.400 -0.454 0.000 2.160 1214 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 1214 K C 1.845 178.301 176.600 -0.241 0.000 1.047 1214 K CA 1.458 57.461 56.287 -0.474 0.000 0.930 1214 K CB -0.445 31.550 32.500 -0.842 0.000 0.720 1214 K HN 0.553 nan 8.250 nan 0.000 0.450 1215 G N 0.585 109.269 108.800 -0.194 0.000 2.395 1215 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.214 1215 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.214 1215 G C 1.419 176.267 174.900 -0.086 0.000 1.177 1215 G CA 0.368 45.399 45.100 -0.116 0.000 0.794 1215 G HN 0.099 nan 8.290 nan 0.000 0.532 1216 M N 0.957 120.507 119.600 -0.084 0.000 2.077 1216 M HA 0.099 4.579 4.480 -0.000 0.000 0.261 1216 M C 2.477 178.746 176.300 -0.052 0.000 1.070 1216 M CA 1.258 56.523 55.300 -0.058 0.000 1.125 1216 M CB -0.954 31.616 32.600 -0.050 0.000 1.339 1216 M HN 0.485 nan 8.290 nan 0.000 0.409 1217 I N -2.862 117.673 120.570 -0.059 0.000 4.009 1217 I HA 0.609 4.778 4.170 -0.000 0.000 0.331 1217 I C 0.517 176.607 176.117 -0.044 0.000 1.462 1217 I CA -0.095 61.179 61.300 -0.042 0.000 1.117 1217 I CB 0.055 38.040 38.000 -0.025 0.000 1.091 1217 I HN 0.325 nan 8.210 nan 0.000 0.410 1218 G N 1.601 110.361 108.800 -0.067 0.000 2.712 1218 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.683 1218 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.683 1218 G C 0.036 174.902 174.900 -0.057 0.000 1.320 1218 G CA 0.183 45.248 45.100 -0.057 0.000 0.847 1218 G HN 0.404 nan 8.290 nan 0.000 0.553 1219 E N -0.080 120.105 120.200 -0.024 0.000 2.005 1219 E HA 0.049 4.399 4.350 -0.000 0.000 0.191 1219 E C 2.888 179.557 176.600 0.114 0.000 0.987 1219 E CA 1.544 57.964 56.400 0.034 0.000 0.814 1219 E CB -0.213 29.519 29.700 0.052 0.000 0.772 1219 E HN 1.012 nan 8.360 nan 0.000 0.453 1220 A N 1.380 124.250 122.820 0.083 0.000 1.930 1220 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 1220 A C 2.055 179.707 177.584 0.113 0.000 1.175 1220 A CA 1.114 53.210 52.037 0.098 0.000 0.627 1220 A CB -0.337 18.695 19.000 0.053 0.000 0.815 1220 A HN 0.114 nan 8.150 nan 0.000 0.443 1221 K N 0.031 120.469 120.400 0.064 0.000 2.074 1221 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 1221 K C 2.270 178.972 176.600 0.170 0.000 1.048 1221 K CA 1.448 57.776 56.287 0.068 0.000 0.926 1221 K CB -0.602 31.907 32.500 0.015 0.000 0.713 1221 K HN 0.478 nan 8.250 nan 0.000 0.444 1222 A N 2.057 124.969 122.820 0.153 0.000 1.855 1222 A HA -0.174 4.146 4.320 -0.000 0.000 0.215 1222 A C 2.033 179.787 177.584 0.282 0.000 1.191 1222 A CA 1.558 53.712 52.037 0.195 0.000 0.613 1222 A CB -0.339 18.739 19.000 0.129 0.000 0.829 1222 A HN 0.271 nan 8.150 nan 0.000 0.442 1223 K N -1.379 119.218 120.400 0.327 0.000 2.160 1223 K HA -0.225 4.095 4.320 -0.000 0.000 0.206 1223 K C 1.927 178.647 176.600 0.200 0.000 1.047 1223 K CA 1.758 58.180 56.287 0.226 0.000 0.930 1223 K CB -0.504 32.096 32.500 0.166 0.000 0.720 1223 K HN 0.665 nan 8.250 nan 0.000 0.450 1224 Y N 1.931 122.295 120.300 0.107 0.000 2.145 1224 Y HA -0.190 4.360 4.550 -0.000 0.000 0.286 1224 Y C 1.918 177.844 175.900 0.043 0.000 1.145 1224 Y CA 1.358 59.516 58.100 0.098 0.000 1.148 1224 Y CB -0.289 38.208 38.460 0.062 0.000 0.981 1224 Y HN -0.090 nan 8.280 nan 0.000 0.507 1225 L N -0.430 120.816 121.223 0.040 0.000 2.141 1225 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 1225 L C 2.342 179.177 176.870 -0.059 0.000 1.094 1225 L CA 1.092 55.877 54.840 -0.090 0.000 0.763 1225 L CB -0.355 41.726 42.059 0.036 0.000 0.908 1225 L HN 0.315 nan 8.230 nan 0.000 0.437 1226 I N -1.321 119.265 120.570 0.026 0.000 2.353 1226 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 1226 I C 2.571 178.694 176.117 0.010 0.000 1.119 1226 I CA 0.707 62.026 61.300 0.032 0.000 1.417 1226 I CB -0.032 38.007 38.000 0.065 0.000 1.078 1226 I HN 0.116 nan 8.210 nan 0.000 0.421 1227 S N 0.890 116.599 115.700 0.016 0.000 2.353 1227 S HA -0.163 4.307 4.470 -0.000 0.000 0.222 1227 S C 1.956 176.583 174.600 0.045 0.000 1.035 1227 S CA 1.422 59.653 58.200 0.052 0.000 1.025 1227 S CB -0.367 62.920 63.200 0.144 0.000 0.902 1227 S HN 0.294 nan 8.310 nan 0.000 0.440 1228 L N 1.085 122.261 121.223 -0.079 0.000 1.970 1228 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 1228 L C 2.809 179.732 176.870 0.089 0.000 1.071 1228 L CA 1.473 56.280 54.840 -0.055 0.000 0.751 1228 L CB -0.781 41.039 42.059 -0.399 0.000 0.889 1228 L HN 0.321 nan 8.230 nan 0.000 0.432 1229 A N -0.303 122.527 122.820 0.016 0.000 1.972 1229 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 1229 A C 2.366 179.969 177.584 0.032 0.000 1.169 1229 A CA 1.453 53.512 52.037 0.036 0.000 0.635 1229 A CB -0.527 18.481 19.000 0.012 0.000 0.810 1229 A HN 0.325 nan 8.150 nan 0.000 0.446 1230 R N -0.483 120.034 120.500 0.027 0.000 2.310 1230 R HA 0.001 4.341 4.340 -0.000 0.000 0.202 1230 R C -0.429 175.887 176.300 0.026 0.000 0.933 1230 R CA 0.509 56.621 56.100 0.019 0.000 1.054 1230 R CB -0.071 30.236 30.300 0.012 0.000 0.985 1230 R HN 0.400 nan 8.270 nan 0.000 0.489 1231 D N 0.980 121.411 120.400 0.051 0.000 3.205 1231 D HA -0.194 4.446 4.640 -0.000 0.000 0.227 1231 D C -0.533 175.802 176.300 0.057 0.000 1.171 1231 D CA 1.225 55.255 54.000 0.050 0.000 0.929 1231 D CB -0.708 40.078 40.800 -0.023 0.000 0.900 1231 D HN 0.590 nan 8.370 nan 0.000 0.404 1232 E N 0.361 120.623 120.200 0.104 0.000 2.534 1232 E HA -0.002 4.348 4.350 -0.000 0.000 0.179 1232 E C -0.413 176.249 176.600 0.103 0.000 0.916 1232 E CA -0.493 55.953 56.400 0.076 0.000 1.354 1232 E CB 0.133 29.856 29.700 0.039 0.000 1.321 1232 E HN 0.400 nan 8.360 nan 0.000 0.663 1233 Y N 1.912 122.230 120.300 0.029 0.000 2.770 1233 Y HA 0.061 4.611 4.550 -0.000 0.000 0.342 1233 Y C 0.369 176.289 175.900 0.034 0.000 1.221 1233 Y CA 0.668 58.779 58.100 0.018 0.000 1.560 1233 Y CB 0.168 38.623 38.460 -0.009 0.000 1.213 1233 Y HN -0.072 nan 8.280 nan 0.000 0.525 1234 N N 3.710 122.219 118.700 -0.319 0.000 2.451 1234 N HA 0.049 4.789 4.740 -0.000 0.000 0.271 1234 N C -1.307 174.029 175.510 -0.290 0.000 1.410 1234 N CA -0.174 52.754 53.050 -0.204 0.000 0.884 1234 N CB 0.154 38.587 38.487 -0.090 0.000 1.332 1234 N HN 0.516 nan 8.380 nan 0.000 0.498 1235 E N 1.959 121.827 120.200 -0.553 0.000 2.498 1235 E HA 0.071 4.421 4.350 -0.000 0.000 0.252 1235 E C -2.045 174.434 176.600 -0.201 0.000 1.025 1235 E CA -1.167 55.001 56.400 -0.388 0.000 0.938 1235 E CB 0.103 29.522 29.700 -0.468 0.000 0.947 1235 E HN 0.396 nan 8.360 nan 0.000 0.478 1236 P HA 0.032 nan 4.420 nan 0.000 0.267 1236 P C 0.104 177.367 177.300 -0.061 0.000 1.200 1236 P CA -0.252 62.806 63.100 -0.070 0.000 0.772 1236 P CB 0.566 32.236 31.700 -0.049 0.000 0.855 1237 I N 3.321 123.876 120.570 -0.026 0.000 2.556 1237 I HA 0.143 4.313 4.170 -0.000 0.000 0.284 1237 I C 1.364 177.492 176.117 0.018 0.000 1.114 1237 I CA 0.656 61.960 61.300 0.005 0.000 1.418 1237 I CB -0.022 38.014 38.000 0.060 0.000 1.394 1237 I HN 0.477 nan 8.210 nan 0.000 0.552 1238 R N 2.131 122.649 120.500 0.030 0.000 2.781 1238 R HA 0.591 4.931 4.340 -0.000 0.000 0.269 1238 R C -1.125 175.206 176.300 0.051 0.000 1.025 1238 R CA -0.869 55.251 56.100 0.033 0.000 0.914 1238 R CB 0.578 30.887 30.300 0.015 0.000 1.236 1238 R HN 0.319 nan 8.270 nan 0.000 0.465 1239 T N 2.266 116.847 114.554 0.045 0.000 2.769 1239 T HA 0.179 4.529 4.350 -0.000 0.000 0.293 1239 T C -0.110 174.619 174.700 0.049 0.000 0.931 1239 T CA -0.157 61.973 62.100 0.050 0.000 1.139 1239 T CB 0.029 68.922 68.868 0.042 0.000 0.881 1239 T HN 0.243 nan 8.240 nan 0.000 0.532 1240 R N 2.316 122.851 120.500 0.058 0.000 2.438 1240 R HA 0.399 4.739 4.340 -0.000 0.000 0.287 1240 R C -0.417 175.917 176.300 0.056 0.000 1.077 1240 R CA -0.497 55.637 56.100 0.056 0.000 1.034 1240 R CB 0.728 31.068 30.300 0.067 0.000 0.993 1240 R HN 0.374 nan 8.270 nan 0.000 0.459 1241 V N 3.001 122.949 119.914 0.057 0.000 2.398 1241 V HA 0.278 4.398 4.120 -0.000 0.000 0.286 1241 V C 0.183 176.331 176.094 0.089 0.000 1.026 1241 V CA -1.128 61.214 62.300 0.070 0.000 0.868 1241 V CB 1.289 33.154 31.823 0.070 0.000 0.982 1241 V HN 0.620 nan 8.190 nan 0.000 0.443 1242 R N 3.819 124.386 120.500 0.113 0.000 2.458 1242 R HA 0.165 4.505 4.340 -0.000 0.000 0.303 1242 R C 0.524 176.967 176.300 0.240 0.000 1.013 1242 R CA 0.792 56.984 56.100 0.152 0.000 1.026 1242 R CB 0.110 30.494 30.300 0.140 0.000 0.948 1242 R HN 0.757 nan 8.270 nan 0.000 0.417 1243 K N 1.414 121.909 120.400 0.157 0.000 2.335 1243 K HA 0.121 4.441 4.320 -0.000 0.000 0.195 1243 K C -0.310 176.208 176.600 -0.136 0.000 1.058 1243 K CA 0.731 57.029 56.287 0.018 0.000 0.988 1243 K CB 0.490 32.968 32.500 -0.037 0.000 0.880 1243 K HN 0.734 nan 8.250 nan 0.000 0.513 1244 S N 0.378 116.134 115.700 0.094 0.000 2.546 1244 S HA 0.504 4.974 4.470 -0.000 0.000 0.272 1244 S C -1.063 173.723 174.600 0.311 0.000 1.140 1244 S CA -1.034 57.239 58.200 0.120 0.000 0.920 1244 S CB 1.520 64.720 63.200 -0.001 0.000 1.083 1244 S HN -0.073 nan 8.310 nan 0.000 0.476 1245 I N 2.781 123.624 120.570 0.455 0.000 2.418 1245 I HA 0.727 4.897 4.170 -0.000 0.000 0.287 1245 I C 0.739 177.048 176.117 0.320 0.000 1.008 1245 I CA -0.227 61.271 61.300 0.330 0.000 1.104 1245 I CB 0.940 39.099 38.000 0.265 0.000 1.264 1245 I HN 1.031 nan 8.210 nan 0.000 0.438 1246 G N 4.991 113.921 108.800 0.218 0.000 3.105 1246 G HA2 0.828 4.788 3.960 -0.000 0.000 0.277 1246 G HA3 0.828 4.788 3.960 -0.000 0.000 0.277 1246 G C -1.334 173.665 174.900 0.164 0.000 1.375 1246 G CA -0.592 44.611 45.100 0.173 0.000 0.962 1246 G HN 0.473 nan 8.290 nan 0.000 0.541 1247 R N -1.285 119.288 120.500 0.123 0.000 2.633 1247 R HA 0.572 4.912 4.340 -0.000 0.000 0.255 1247 R C -2.297 174.051 176.300 0.080 0.000 1.106 1247 R CA -0.539 55.631 56.100 0.117 0.000 0.959 1247 R CB 0.857 31.251 30.300 0.157 0.000 1.259 1247 R HN 0.676 nan 8.270 nan 0.000 0.453 1248 I N 4.387 124.997 120.570 0.066 0.000 2.769 1248 I HA 0.805 4.975 4.170 -0.000 0.000 0.298 1248 I C -1.162 174.978 176.117 0.039 0.000 1.128 1248 I CA -0.978 60.347 61.300 0.041 0.000 1.031 1248 I CB 2.295 40.309 38.000 0.023 0.000 1.235 1248 I HN 0.563 nan 8.210 nan 0.000 0.423 1249 V N 1.393 121.318 119.914 0.018 0.000 3.012 1249 V HA 0.543 4.663 4.120 -0.000 0.000 0.307 1249 V C -0.384 175.665 176.094 -0.076 0.000 1.166 1249 V CA -0.615 61.687 62.300 0.003 0.000 0.974 1249 V CB 1.351 33.209 31.823 0.058 0.000 1.040 1249 V HN 0.680 nan 8.190 nan 0.000 0.428 1250 T N 5.664 120.167 114.554 -0.084 0.000 2.779 1250 T HA 0.454 4.804 4.350 -0.000 0.000 0.296 1250 T C 0.274 174.807 174.700 -0.278 0.000 0.938 1250 T CA -0.116 61.900 62.100 -0.140 0.000 1.119 1250 T CB 0.361 69.178 68.868 -0.085 0.000 0.891 1250 T HN 0.668 nan 8.240 nan 0.000 0.526 1251 M N 2.791 122.122 119.600 -0.447 0.000 2.240 1251 M HA 0.213 4.693 4.480 -0.000 0.000 0.333 1251 M C 1.657 177.756 176.300 -0.335 0.000 1.110 1251 M CA -0.365 54.437 55.300 -0.829 0.000 1.173 1251 M CB 0.487 32.612 32.600 -0.791 0.000 1.458 1251 M HN 0.479 nan 8.290 nan 0.000 0.458 1252 K N 1.166 121.470 120.400 -0.160 0.000 2.280 1252 K HA -0.086 4.234 4.320 -0.000 0.000 0.202 1252 K C -0.208 176.422 176.600 0.050 0.000 1.047 1252 K CA 1.222 57.545 56.287 0.060 0.000 0.942 1252 K CB 0.235 32.852 32.500 0.196 0.000 0.739 1252 K HN 0.630 nan 8.250 nan 0.000 0.457 1253 R N -0.947 119.558 120.500 0.008 0.000 2.634 1253 R HA 0.274 4.614 4.340 -0.000 0.000 0.263 1253 R C -1.406 174.884 176.300 -0.017 0.000 1.060 1253 R CA -1.028 55.083 56.100 0.017 0.000 0.898 1253 R CB 0.186 30.511 30.300 0.042 0.000 1.253 1253 R HN -0.211 nan 8.270 nan 0.000 0.461 1254 N N 0.868 119.560 118.700 -0.012 0.000 2.412 1254 N HA 0.113 4.853 4.740 -0.000 0.000 0.254 1254 N C -0.755 174.750 175.510 -0.009 0.000 1.232 1254 N CA 0.468 53.505 53.050 -0.022 0.000 0.880 1254 N CB 1.331 39.812 38.487 -0.011 0.000 1.076 1254 N HN 0.565 nan 8.380 nan 0.000 0.458 1255 S N 0.644 116.336 115.700 -0.013 0.000 2.537 1255 S HA 0.378 4.847 4.470 -0.000 0.000 0.270 1255 S C 0.352 174.950 174.600 -0.002 0.000 1.142 1255 S CA -0.721 57.481 58.200 0.003 0.000 0.870 1255 S CB 1.205 64.419 63.200 0.024 0.000 1.112 1255 S HN 0.547 nan 8.310 nan 0.000 0.466 1256 R N 1.495 121.996 120.500 0.002 0.000 2.290 1256 R HA 0.194 4.534 4.340 -0.000 0.000 0.197 1256 R C 0.475 176.776 176.300 0.002 0.000 0.913 1256 R CA -0.105 55.995 56.100 -0.000 0.000 1.040 1256 R CB 0.058 30.358 30.300 0.000 0.000 0.992 1256 R HN 0.571 nan 8.270 nan 0.000 0.500 1257 N N 2.278 120.982 118.700 0.007 0.000 2.399 1257 N HA -0.066 4.674 4.740 -0.000 0.000 0.259 1257 N C 1.179 176.690 175.510 0.001 0.000 1.160 1257 N CA -0.098 52.956 53.050 0.007 0.000 0.946 1257 N CB 0.876 39.370 38.487 0.012 0.000 1.156 1257 N HN 0.023 nan 8.380 nan 0.000 0.489 1258 L N 4.815 126.034 121.223 -0.005 0.000 2.026 1258 L HA -0.265 4.075 4.340 -0.000 0.000 0.231 1258 L C 1.880 178.728 176.870 -0.037 0.000 1.095 1258 L CA 1.991 56.820 54.840 -0.019 0.000 0.810 1258 L CB -0.405 41.648 42.059 -0.010 0.000 0.909 1258 L HN 0.600 nan 8.230 nan 0.000 0.444 1259 E N -0.757 119.427 120.200 -0.026 0.000 2.347 1259 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 1259 E C 2.028 178.600 176.600 -0.045 0.000 1.008 1259 E CA 0.941 57.318 56.400 -0.039 0.000 0.852 1259 E CB -0.090 29.602 29.700 -0.013 0.000 0.783 1259 E HN 0.713 nan 8.360 nan 0.000 0.505 1260 E N 0.361 120.553 120.200 -0.014 0.000 2.250 1260 E HA -0.020 4.330 4.350 -0.000 0.000 0.192 1260 E C 1.895 178.539 176.600 0.073 0.000 0.986 1260 E CA 0.138 56.549 56.400 0.019 0.000 0.849 1260 E CB 0.209 29.939 29.700 0.050 0.000 0.797 1260 E HN 0.192 nan 8.360 nan 0.000 0.482 1261 I N 0.590 121.190 120.570 0.051 0.000 2.716 1261 I HA -0.134 4.036 4.170 -0.000 0.000 0.259 1261 I C 2.193 178.303 176.117 -0.010 0.000 1.172 1261 I CA 0.487 61.850 61.300 0.106 0.000 1.478 1261 I CB 0.031 38.043 38.000 0.020 0.000 1.104 1261 I HN -0.070 nan 8.210 nan 0.000 0.439 1262 K N 0.969 121.254 120.400 -0.190 0.000 2.063 1262 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 1262 K C -0.495 175.717 176.600 -0.646 0.000 1.048 1262 K CA 1.645 57.617 56.287 -0.524 0.000 0.928 1262 K CB -1.128 31.051 32.500 -0.536 0.000 0.713 1262 K HN 0.253 nan 8.250 nan 0.000 0.442 1263 P HA -0.150 nan 4.420 nan 0.000 0.217 1263 P C 0.796 177.968 177.300 -0.214 0.000 1.150 1263 P CA 1.260 64.200 63.100 -0.268 0.000 0.832 1263 P CB -0.039 31.474 31.700 -0.312 0.000 0.787 1264 Y N -0.833 119.412 120.300 -0.092 0.000 2.181 1264 Y HA -0.142 4.408 4.550 -0.000 0.000 0.288 1264 Y C 2.292 178.158 175.900 -0.055 0.000 1.146 1264 Y CA 0.827 58.897 58.100 -0.050 0.000 1.164 1264 Y CB -1.495 36.937 38.460 -0.047 0.000 0.982 1264 Y HN -0.116 nan 8.280 nan 0.000 0.515 1265 L N -1.170 120.060 121.223 0.012 0.000 2.093 1265 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 1265 L C 1.813 178.709 176.870 0.043 0.000 1.085 1265 L CA 1.649 56.468 54.840 -0.035 0.000 0.755 1265 L CB -0.838 41.128 42.059 -0.155 0.000 0.904 1265 L HN 0.052 nan 8.230 nan 0.000 0.435 1266 F N -0.124 119.754 119.950 -0.120 0.000 2.259 1266 F HA -0.005 4.522 4.527 -0.000 0.000 0.298 1266 F C 2.652 178.397 175.800 -0.091 0.000 1.088 1266 F CA 0.811 58.652 58.000 -0.266 0.000 1.358 1266 F CB -0.963 37.891 39.000 -0.244 0.000 1.040 1266 F HN 0.078 nan 8.300 nan 0.000 0.505 1267 R N -0.087 120.516 120.500 0.171 0.000 2.115 1267 R HA -0.063 4.277 4.340 -0.000 0.000 0.230 1267 R C 2.365 178.753 176.300 0.148 0.000 1.111 1267 R CA 1.024 57.208 56.100 0.141 0.000 0.976 1267 R CB -0.468 29.894 30.300 0.104 0.000 0.870 1267 R HN 0.228 nan 8.270 nan 0.000 0.445 1268 A N 1.053 123.962 122.820 0.148 0.000 1.873 1268 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 1268 A C 2.079 179.794 177.584 0.217 0.000 1.186 1268 A CA 1.151 53.282 52.037 0.158 0.000 0.616 1268 A CB -0.412 18.661 19.000 0.122 0.000 0.823 1268 A HN 0.175 nan 8.150 nan 0.000 0.442 1269 I N -0.276 120.423 120.570 0.216 0.000 2.208 1269 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 1269 I C 2.562 178.901 176.117 0.371 0.000 1.097 1269 I CA 1.330 62.828 61.300 0.330 0.000 1.363 1269 I CB -0.337 37.741 38.000 0.130 0.000 1.051 1269 I HN 0.328 nan 8.210 nan 0.000 0.413 1270 E N 0.612 120.964 120.200 0.255 0.000 2.033 1270 E HA -0.299 4.051 4.350 -0.000 0.000 0.199 1270 E C 2.083 178.848 176.600 0.274 0.000 1.011 1270 E CA 1.652 58.201 56.400 0.249 0.000 0.815 1270 E CB -0.341 29.470 29.700 0.186 0.000 0.755 1270 E HN 0.453 nan 8.360 nan 0.000 0.451 1271 E N 0.530 120.868 120.200 0.229 0.000 2.070 1271 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 1271 E C 2.215 179.004 176.600 0.316 0.000 1.004 1271 E CA 1.733 58.268 56.400 0.226 0.000 0.805 1271 E CB -0.092 29.714 29.700 0.177 0.000 0.744 1271 E HN 0.040 nan 8.360 nan 0.000 0.451 1272 S N -0.753 115.154 115.700 0.345 0.000 2.359 1272 S HA -0.195 4.275 4.470 -0.000 0.000 0.224 1272 S C 1.780 176.525 174.600 0.242 0.000 1.035 1272 S CA 1.338 59.754 58.200 0.359 0.000 1.018 1272 S CB -0.528 63.029 63.200 0.595 0.000 0.876 1272 S HN 0.351 nan 8.310 nan 0.000 0.448 1273 Y N 0.113 120.503 120.300 0.149 0.000 2.224 1273 Y HA -0.214 4.336 4.550 -0.000 0.000 0.289 1273 Y C 2.320 178.256 175.900 0.059 0.000 1.146 1273 Y CA 1.743 59.855 58.100 0.021 0.000 1.182 1273 Y CB -0.453 38.020 38.460 0.022 0.000 0.983 1273 Y HN 0.382 nan 8.280 nan 0.000 0.524 1274 Y N 0.945 121.335 120.300 0.151 0.000 2.097 1274 Y HA -0.275 4.275 4.550 -0.000 0.000 0.282 1274 Y C 2.246 178.159 175.900 0.022 0.000 1.152 1274 Y CA 1.883 60.028 58.100 0.076 0.000 1.136 1274 Y CB -0.443 38.066 38.460 0.081 0.000 0.975 1274 Y HN -0.117 nan 8.280 nan 0.000 0.498 1275 K N 0.258 120.686 120.400 0.047 0.000 2.211 1275 K HA -0.166 4.154 4.320 -0.000 0.000 0.204 1275 K C 2.018 178.516 176.600 -0.170 0.000 1.047 1275 K CA 1.446 57.682 56.287 -0.084 0.000 0.935 1275 K CB -0.352 32.209 32.500 0.101 0.000 0.728 1275 K HN 0.419 nan 8.250 nan 0.000 0.452 1276 L N 0.721 121.829 121.223 -0.192 0.000 2.127 1276 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 1276 L C 0.100 176.772 176.870 -0.331 0.000 1.089 1276 L CA 0.743 55.383 54.840 -0.333 0.000 0.757 1276 L CB -0.489 41.297 42.059 -0.456 0.000 0.899 1276 L HN 0.297 nan 8.230 nan 0.000 0.434 1277 D N 0.257 120.493 120.400 -0.274 0.000 3.133 1277 D HA -0.184 4.456 4.640 -0.000 0.000 0.239 1277 D C 0.732 176.912 176.300 -0.199 0.000 1.136 1277 D CA 0.542 54.400 54.000 -0.236 0.000 0.898 1277 D CB -0.218 40.450 40.800 -0.221 0.000 0.959 1277 D HN 0.228 nan 8.370 nan 0.000 0.415 1278 K N -0.542 119.761 120.400 -0.161 0.000 10.883 1278 K HA -0.312 4.007 4.320 -0.000 0.000 0.526 1278 K C 0.426 176.923 176.600 -0.172 0.000 0.382 1278 K CA 1.880 58.091 56.287 -0.126 0.000 1.943 1278 K CB -1.282 31.161 32.500 -0.095 0.000 0.766 1278 K HN 0.649 nan 8.250 nan 0.000 1.214 1279 R N 1.720 122.090 120.500 -0.215 0.000 3.058 1279 R HA -0.140 4.200 4.340 -0.000 0.000 0.231 1279 R C 0.396 176.547 176.300 -0.249 0.000 0.791 1279 R CA 0.567 56.515 56.100 -0.254 0.000 1.034 1279 R CB -0.280 29.761 30.300 -0.432 0.000 0.950 1279 R HN 0.233 nan 8.270 nan 0.000 0.386 1280 I N 6.333 126.849 120.570 -0.089 0.000 2.301 1280 I HA 0.196 4.366 4.170 -0.000 0.000 0.292 1280 I C -1.702 174.486 176.117 0.118 0.000 1.046 1280 I CA -2.907 58.379 61.300 -0.023 0.000 1.282 1280 I CB 0.567 38.582 38.000 0.024 0.000 1.409 1280 I HN 0.369 nan 8.210 nan 0.000 0.484 1281 P HA 0.249 nan 4.420 nan 0.000 0.274 1281 P C 0.037 177.462 177.300 0.207 0.000 1.237 1281 P CA -0.421 62.855 63.100 0.293 0.000 0.793 1281 P CB 1.763 33.582 31.700 0.199 0.000 0.977 1282 K N -0.400 120.125 120.400 0.208 0.000 2.412 1282 K HA 0.382 4.702 4.320 -0.000 0.000 0.202 1282 K C 0.348 177.087 176.600 0.231 0.000 1.102 1282 K CA -0.047 56.357 56.287 0.194 0.000 1.027 1282 K CB 0.943 33.528 32.500 0.141 0.000 0.931 1282 K HN 0.559 nan 8.250 nan 0.000 0.557 1283 A N 1.070 124.043 122.820 0.255 0.000 2.430 1283 A HA 0.765 5.085 4.320 -0.000 0.000 0.300 1283 A C -1.523 176.260 177.584 0.333 0.000 1.124 1283 A CA -0.678 51.509 52.037 0.250 0.000 0.766 1283 A CB 1.428 20.542 19.000 0.190 0.000 1.328 1283 A HN 0.190 nan 8.150 nan 0.000 0.424 1284 I N 0.304 120.962 120.570 0.146 0.000 2.680 1284 I HA 0.463 4.633 4.170 -0.000 0.000 0.291 1284 I C -1.785 174.184 176.117 -0.247 0.000 1.244 1284 I CA -0.253 61.052 61.300 0.009 0.000 1.042 1284 I CB 1.569 39.654 38.000 0.142 0.000 1.277 1284 I HN 0.771 nan 8.210 nan 0.000 0.423 1285 H N 6.421 125.403 119.070 -0.147 0.000 2.744 1285 H HA 0.404 4.960 4.556 -0.000 0.000 0.339 1285 H C -1.194 174.065 175.328 -0.115 0.000 1.004 1285 H CA -0.637 55.356 56.048 -0.092 0.000 1.257 1285 H CB 2.474 32.190 29.762 -0.075 0.000 1.552 1285 H HN 0.248 nan 8.280 nan 0.000 0.522 1286 V N 4.720 124.643 119.914 0.015 0.000 2.383 1286 V HA 0.156 4.276 4.120 -0.000 0.000 0.275 1286 V C 0.318 176.421 176.094 0.015 0.000 1.036 1286 V CA -0.614 61.684 62.300 -0.003 0.000 0.889 1286 V CB 1.401 33.221 31.823 -0.004 0.000 0.985 1286 V HN 0.411 nan 8.190 nan 0.000 0.459 1287 V N 4.108 124.024 119.914 0.004 0.000 2.483 1287 V HA 0.850 4.970 4.120 -0.000 0.000 0.295 1287 V C 0.308 176.398 176.094 -0.006 0.000 1.035 1287 V CA -0.494 61.808 62.300 0.003 0.000 0.896 1287 V CB 1.648 33.470 31.823 -0.002 0.000 0.986 1287 V HN 0.966 nan 8.190 nan 0.000 0.447 1288 A N 3.978 126.793 122.820 -0.008 0.000 2.356 1288 A HA 0.804 5.124 4.320 -0.000 0.000 0.310 1288 A C -0.919 176.655 177.584 -0.017 0.000 1.075 1288 A CA -0.538 51.490 52.037 -0.015 0.000 0.746 1288 A CB 1.694 20.685 19.000 -0.014 0.000 1.221 1288 A HN 0.646 nan 8.150 nan 0.000 0.443 1289 V N 3.530 123.430 119.914 -0.024 0.000 2.333 1289 V HA 0.370 4.490 4.120 -0.000 0.000 0.274 1289 V C 1.059 177.138 176.094 -0.024 0.000 1.028 1289 V CA 0.042 62.329 62.300 -0.022 0.000 0.851 1289 V CB 0.812 32.621 31.823 -0.024 0.000 1.000 1289 V HN 1.100 nan 8.190 nan 0.000 0.456 1290 T N 0.892 115.435 114.554 -0.018 0.000 2.701 1290 T HA 0.052 4.402 4.350 -0.000 0.000 0.303 1290 T C 1.198 175.889 174.700 -0.015 0.000 1.030 1290 T CA 0.127 62.218 62.100 -0.016 0.000 1.010 1290 T CB 0.747 69.608 68.868 -0.011 0.000 1.007 1290 T HN 0.727 nan 8.240 nan 0.000 0.532 1291 E N 0.582 120.775 120.200 -0.012 0.000 2.171 1291 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 1291 E C 0.711 177.308 176.600 -0.005 0.000 0.997 1291 E CA 1.753 58.148 56.400 -0.009 0.000 0.810 1291 E CB -0.176 29.520 29.700 -0.006 0.000 0.738 1291 E HN 0.855 nan 8.360 nan 0.000 0.467 1292 D N -1.390 119.007 120.400 -0.005 0.000 2.462 1292 D HA 0.089 4.729 4.640 -0.000 0.000 0.221 1292 D C 0.600 176.897 176.300 -0.004 0.000 1.173 1292 D CA -0.292 53.706 54.000 -0.003 0.000 0.831 1292 D CB 0.290 41.089 40.800 -0.003 0.000 1.001 1292 D HN 0.167 nan 8.370 nan 0.000 0.499 1293 L N -0.549 120.670 121.223 -0.007 0.000 4.793 1293 L HA -0.176 4.164 4.340 -0.000 0.000 0.404 1293 L C -0.253 176.612 176.870 -0.009 0.000 1.022 1293 L CA 0.317 55.152 54.840 -0.008 0.000 1.242 1293 L CB -1.420 40.636 42.059 -0.006 0.000 2.049 1293 L HN 0.100 nan 8.230 nan 0.000 0.637 1294 D N 0.440 120.835 120.400 -0.009 0.000 2.424 1294 D HA 0.361 5.001 4.640 -0.000 0.000 0.244 1294 D C 0.493 176.786 176.300 -0.010 0.000 1.134 1294 D CA 0.192 54.186 54.000 -0.009 0.000 0.881 1294 D CB 0.568 41.363 40.800 -0.008 0.000 1.191 1294 D HN 0.218 nan 8.370 nan 0.000 0.445 1295 I N 3.898 124.462 120.570 -0.011 0.000 2.325 1295 I HA 0.103 4.273 4.170 -0.000 0.000 0.285 1295 I C 0.112 176.224 176.117 -0.009 0.000 1.128 1295 I CA -0.575 60.718 61.300 -0.011 0.000 1.261 1295 I CB 0.792 38.784 38.000 -0.013 0.000 1.529 1295 I HN 0.031 nan 8.210 nan 0.000 0.557 1296 V N 2.872 122.782 119.914 -0.007 0.000 2.763 1296 V HA 0.120 4.240 4.120 -0.000 0.000 0.306 1296 V C 0.555 176.650 176.094 0.002 0.000 1.059 1296 V CA 0.517 62.815 62.300 -0.003 0.000 1.138 1296 V CB 1.478 33.299 31.823 -0.003 0.000 0.940 1296 V HN 0.700 nan 8.190 nan 0.000 0.489 1297 S N 5.607 121.312 115.700 0.009 0.000 2.603 1297 S HA 0.632 5.102 4.470 -0.000 0.000 0.274 1297 S C -1.110 173.513 174.600 0.038 0.000 1.168 1297 S CA -0.956 57.258 58.200 0.024 0.000 0.963 1297 S CB 0.946 64.159 63.200 0.023 0.000 1.078 1297 S HN 0.661 nan 8.310 nan 0.000 0.477 1298 R N 2.297 122.823 120.500 0.043 0.000 2.621 1298 R HA 0.782 5.122 4.340 -0.000 0.000 0.292 1298 R C 0.105 176.426 176.300 0.035 0.000 0.969 1298 R CA -0.647 55.475 56.100 0.037 0.000 0.887 1298 R CB 1.461 31.770 30.300 0.015 0.000 1.180 1298 R HN 0.806 nan 8.270 nan 0.000 0.450 1299 G N 0.588 109.383 108.800 -0.008 0.000 2.687 1299 G HA2 0.684 4.644 3.960 -0.000 0.000 0.291 1299 G HA3 0.684 4.644 3.960 -0.000 0.000 0.291 1299 G C -1.493 173.230 174.900 -0.295 0.000 1.420 1299 G CA -0.634 44.312 45.100 -0.257 0.000 0.796 1299 G HN 0.336 nan 8.290 nan 0.000 0.485 1300 R N 0.434 120.687 120.500 -0.411 0.000 2.745 1300 R HA 0.382 4.722 4.340 -0.000 0.000 0.290 1300 R C -0.042 176.109 176.300 -0.250 0.000 1.260 1300 R CA -0.351 55.574 56.100 -0.292 0.000 1.045 1300 R CB 0.978 31.127 30.300 -0.251 0.000 1.257 1300 R HN 0.958 nan 8.270 nan 0.000 0.400 1301 T N 0.582 115.013 114.554 -0.205 0.000 2.946 1301 T HA 0.177 4.527 4.350 -0.000 0.000 0.311 1301 T C -0.026 174.558 174.700 -0.194 0.000 1.063 1301 T CA 0.260 62.314 62.100 -0.077 0.000 1.139 1301 T CB 0.336 69.184 68.868 -0.033 0.000 0.994 1301 T HN 0.237 nan 8.240 nan 0.000 0.547 1302 F N 3.694 123.641 119.950 -0.005 0.000 2.508 1302 F HA 0.403 4.930 4.527 -0.000 0.000 0.325 1302 F C -1.223 174.543 175.800 -0.057 0.000 1.090 1302 F CA -2.337 55.655 58.000 -0.013 0.000 0.945 1302 F CB 2.167 41.183 39.000 0.027 0.000 1.156 1302 F HN 0.395 nan 8.300 nan 0.000 0.463 1303 P HA -0.226 nan 4.420 nan 0.000 0.222 1303 P C 0.052 177.083 177.300 -0.448 0.000 1.157 1303 P CA 1.959 64.903 63.100 -0.259 0.000 0.905 1303 P CB 0.047 31.570 31.700 -0.294 0.000 0.792 1304 H N -3.048 116.118 119.070 0.160 0.000 3.218 1304 H HA 0.505 5.061 4.556 -0.000 0.000 0.303 1304 H C 0.508 175.911 175.328 0.125 0.000 1.605 1304 H CA -0.669 55.449 56.048 0.116 0.000 1.298 1304 H CB 0.082 29.896 29.762 0.086 0.000 1.856 1304 H HN -0.084 nan 8.280 nan 0.000 0.656 1305 G N 0.474 109.424 108.800 0.251 0.000 2.432 1305 G HA2 0.431 4.391 3.960 -0.000 0.000 0.257 1305 G HA3 0.431 4.391 3.960 -0.000 0.000 0.257 1305 G C -0.167 174.817 174.900 0.139 0.000 1.238 1305 G CA -0.413 44.788 45.100 0.169 0.000 0.838 1305 G HN 0.346 nan 8.290 nan 0.000 0.547 1306 I N 1.780 122.437 120.570 0.144 0.000 2.315 1306 I HA 0.176 4.346 4.170 -0.000 0.000 0.291 1306 I C 0.846 177.071 176.117 0.180 0.000 1.006 1306 I CA -0.405 60.985 61.300 0.151 0.000 1.265 1306 I CB 1.553 39.687 38.000 0.223 0.000 1.387 1306 I HN 0.529 nan 8.210 nan 0.000 0.475 1307 S N 4.770 120.537 115.700 0.112 0.000 2.565 1307 S HA 0.213 4.683 4.470 -0.000 0.000 0.274 1307 S C 0.987 175.572 174.600 -0.025 0.000 1.309 1307 S CA -0.793 57.448 58.200 0.068 0.000 1.043 1307 S CB 1.819 65.016 63.200 -0.005 0.000 0.939 1307 S HN 0.703 nan 8.310 nan 0.000 0.504 1308 K N 1.905 122.118 120.400 -0.311 0.000 2.090 1308 K HA -0.291 4.029 4.320 -0.000 0.000 0.218 1308 K C 1.659 178.118 176.600 -0.234 0.000 1.055 1308 K CA 2.614 58.474 56.287 -0.711 0.000 0.941 1308 K CB -0.594 31.507 32.500 -0.666 0.000 0.722 1308 K HN 0.793 nan 8.250 nan 0.000 0.458 1309 E N -0.720 119.348 120.200 -0.220 0.000 2.085 1309 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 1309 E C 2.016 178.591 176.600 -0.042 0.000 0.994 1309 E CA 2.058 58.345 56.400 -0.188 0.000 0.801 1309 E CB -0.432 29.154 29.700 -0.189 0.000 0.743 1309 E HN 0.470 nan 8.360 nan 0.000 0.453 1310 T N 0.446 114.984 114.554 -0.027 0.000 2.788 1310 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 1310 T C 1.980 176.714 174.700 0.056 0.000 1.044 1310 T CA 1.157 63.248 62.100 -0.015 0.000 1.139 1310 T CB -0.363 68.474 68.868 -0.052 0.000 0.867 1310 T HN 0.277 nan 8.240 nan 0.000 0.454 1311 A N 0.622 123.531 122.820 0.149 0.000 1.877 1311 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 1311 A C 2.046 179.766 177.584 0.226 0.000 1.186 1311 A CA 1.290 53.502 52.037 0.291 0.000 0.620 1311 A CB -1.166 18.134 19.000 0.501 0.000 0.822 1311 A HN 0.551 nan 8.150 nan 0.000 0.443 1312 Y N 1.053 121.340 120.300 -0.023 0.000 2.081 1312 Y HA -0.282 4.268 4.550 -0.000 0.000 0.280 1312 Y C 3.131 179.044 175.900 0.022 0.000 1.163 1312 Y CA 1.988 60.014 58.100 -0.125 0.000 1.135 1312 Y CB -0.191 38.032 38.460 -0.395 0.000 0.970 1312 Y HN 0.349 nan 8.280 nan 0.000 0.498 1313 S N -0.575 115.216 115.700 0.152 0.000 2.355 1313 S HA -0.200 4.270 4.470 -0.000 0.000 0.222 1313 S C 1.806 176.469 174.600 0.105 0.000 1.031 1313 S CA 1.444 59.708 58.200 0.108 0.000 0.993 1313 S CB -0.321 62.903 63.200 0.040 0.000 0.859 1313 S HN 0.334 nan 8.310 nan 0.000 0.453 1314 E N 1.856 122.103 120.200 0.078 0.000 2.072 1314 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 1314 E C 2.308 178.974 176.600 0.110 0.000 0.985 1314 E CA 1.315 57.761 56.400 0.076 0.000 0.801 1314 E CB -0.375 29.343 29.700 0.030 0.000 0.750 1314 E HN 0.568 nan 8.360 nan 0.000 0.452 1315 S N -0.539 115.237 115.700 0.127 0.000 2.374 1315 S HA -0.204 4.266 4.470 -0.000 0.000 0.227 1315 S C 2.158 176.818 174.600 0.100 0.000 1.037 1315 S CA 1.450 59.716 58.200 0.110 0.000 1.024 1315 S CB -0.886 62.395 63.200 0.134 0.000 0.861 1315 S HN 0.116 nan 8.310 nan 0.000 0.456 1316 V N 2.520 122.521 119.914 0.144 0.000 2.295 1316 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 1316 V C 2.738 178.876 176.094 0.073 0.000 1.049 1316 V CA 2.068 64.433 62.300 0.108 0.000 1.024 1316 V CB -0.794 31.129 31.823 0.166 0.000 0.648 1316 V HN 0.482 nan 8.190 nan 0.000 0.447 1317 K N -0.238 120.212 120.400 0.083 0.000 2.059 1317 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 1317 K C 2.087 178.721 176.600 0.056 0.000 1.050 1317 K CA 1.773 58.102 56.287 0.070 0.000 0.927 1317 K CB -0.434 32.119 32.500 0.087 0.000 0.714 1317 K HN 0.361 nan 8.250 nan 0.000 0.447 1318 L N 0.474 121.732 121.223 0.058 0.000 2.093 1318 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 1318 L C 2.367 179.251 176.870 0.023 0.000 1.085 1318 L CA 0.381 55.244 54.840 0.038 0.000 0.755 1318 L CB -0.321 41.758 42.059 0.035 0.000 0.904 1318 L HN 0.162 nan 8.230 nan 0.000 0.435 1319 L N -0.388 120.847 121.223 0.020 0.000 2.093 1319 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 1319 L C 2.479 179.352 176.870 0.005 0.000 1.085 1319 L CA 1.648 56.490 54.840 0.004 0.000 0.755 1319 L CB -0.527 41.523 42.059 -0.015 0.000 0.904 1319 L HN 0.241 nan 8.230 nan 0.000 0.435 1320 Q N -0.499 119.309 119.800 0.015 0.000 2.079 1320 Q HA -0.268 4.072 4.340 -0.000 0.000 0.200 1320 Q C 2.309 178.318 176.000 0.014 0.000 0.974 1320 Q CA 1.867 57.679 55.803 0.015 0.000 0.840 1320 Q CB -0.087 28.666 28.738 0.024 0.000 0.898 1320 Q HN 0.499 nan 8.270 nan 0.000 0.430 1321 K N 0.065 120.476 120.400 0.018 0.000 2.103 1321 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 1321 K C 1.797 178.403 176.600 0.009 0.000 1.048 1321 K CA 1.361 57.657 56.287 0.015 0.000 0.930 1321 K CB -0.070 32.440 32.500 0.017 0.000 0.716 1321 K HN 0.235 nan 8.250 nan 0.000 0.444 1322 I N 0.613 121.187 120.570 0.007 0.000 2.163 1322 I HA -0.282 3.887 4.170 -0.000 0.000 0.240 1322 I C 1.983 178.101 176.117 0.002 0.000 1.081 1322 I CA 0.601 61.904 61.300 0.004 0.000 1.353 1322 I CB -0.202 37.799 38.000 0.001 0.000 1.054 1322 I HN 0.156 nan 8.210 nan 0.000 0.407 1323 L N 0.673 121.897 121.223 0.001 0.000 2.013 1323 L HA -0.255 4.085 4.340 -0.000 0.000 0.212 1323 L C 2.516 179.388 176.870 0.002 0.000 1.073 1323 L CA 1.997 56.838 54.840 0.001 0.000 0.753 1323 L CB -1.502 40.557 42.059 0.001 0.000 0.890 1323 L HN 0.373 nan 8.230 nan 0.000 0.432 1324 E N -0.424 119.779 120.200 0.004 0.000 2.147 1324 E HA -0.259 4.091 4.350 -0.000 0.000 0.199 1324 E C 1.837 178.439 176.600 0.003 0.000 1.005 1324 E CA 1.689 58.092 56.400 0.005 0.000 0.810 1324 E CB 0.014 29.718 29.700 0.007 0.000 0.736 1324 E HN 0.615 nan 8.360 nan 0.000 0.460 1325 E N -0.315 119.887 120.200 0.003 0.000 2.372 1325 E HA 0.033 4.383 4.350 -0.000 0.000 0.201 1325 E C 0.170 176.770 176.600 0.000 0.000 0.938 1325 E CA -0.050 56.351 56.400 0.002 0.000 0.944 1325 E CB 0.642 30.343 29.700 0.002 0.000 0.937 1325 E HN -0.013 nan 8.360 nan 0.000 0.495 1326 D N 1.191 121.591 120.400 -0.000 0.000 2.381 1326 D HA 0.083 4.723 4.640 -0.000 0.000 0.235 1326 D C -0.668 175.631 176.300 -0.002 0.000 1.068 1326 D CA -0.122 53.877 54.000 -0.002 0.000 0.832 1326 D CB 1.160 41.958 40.800 -0.003 0.000 1.101 1326 D HN -0.043 nan 8.370 nan 0.000 0.515 1327 E N 3.151 123.350 120.200 -0.002 0.000 2.338 1327 E HA 0.145 4.495 4.350 -0.000 0.000 0.231 1327 E C 0.385 176.984 176.600 -0.003 0.000 1.231 1327 E CA -0.065 56.333 56.400 -0.002 0.000 1.490 1327 E CB 0.875 30.574 29.700 -0.001 0.000 1.360 1327 E HN 0.246 nan 8.360 nan 0.000 0.435 1328 R N 0.143 120.641 120.500 -0.004 0.000 3.237 1328 R HA 0.455 4.795 4.340 -0.000 0.000 0.193 1328 R C -0.091 176.206 176.300 -0.005 0.000 1.551 1328 R CA -0.598 55.499 56.100 -0.004 0.000 0.855 1328 R CB 0.843 31.140 30.300 -0.005 0.000 2.062 1328 R HN -0.104 nan 8.270 nan 0.000 0.507 1329 K N 0.530 120.925 120.400 -0.007 0.000 2.350 1329 K HA 0.486 4.806 4.320 -0.000 0.000 0.241 1329 K C -0.717 175.874 176.600 -0.015 0.000 0.994 1329 K CA -0.660 55.621 56.287 -0.010 0.000 0.839 1329 K CB 1.912 34.407 32.500 -0.009 0.000 1.244 1329 K HN 0.273 nan 8.250 nan 0.000 0.443 1330 I N 1.639 122.196 120.570 -0.020 0.000 2.359 1330 I HA 0.273 4.442 4.170 -0.000 0.000 0.294 1330 I C 1.351 177.440 176.117 -0.048 0.000 0.987 1330 I CA -0.266 61.015 61.300 -0.032 0.000 1.225 1330 I CB 1.573 39.554 38.000 -0.033 0.000 1.366 1330 I HN 0.660 nan 8.210 nan 0.000 0.466 1331 R N 4.961 125.428 120.500 -0.055 0.000 2.164 1331 R HA 0.328 4.668 4.340 -0.000 0.000 0.198 1331 R C 0.295 176.529 176.300 -0.110 0.000 1.028 1331 R CA 0.197 56.256 56.100 -0.069 0.000 1.083 1331 R CB 0.695 30.970 30.300 -0.041 0.000 1.026 1331 R HN 0.558 nan 8.270 nan 0.000 0.514 1332 R N 0.052 120.498 120.500 -0.090 0.000 2.795 1332 R HA 0.452 4.792 4.340 -0.000 0.000 0.275 1332 R C -1.621 174.634 176.300 -0.075 0.000 0.981 1332 R CA -0.882 55.158 56.100 -0.100 0.000 0.917 1332 R CB 2.309 32.571 30.300 -0.064 0.000 1.202 1332 R HN 0.030 nan 8.270 nan 0.000 0.469 1333 I N 0.081 120.609 120.570 -0.070 0.000 2.692 1333 I HA 0.683 4.853 4.170 -0.000 0.000 0.293 1333 I C -1.061 175.053 176.117 -0.005 0.000 1.200 1333 I CA -0.014 61.265 61.300 -0.035 0.000 1.036 1333 I CB 2.422 40.402 38.000 -0.034 0.000 1.258 1333 I HN 0.738 nan 8.210 nan 0.000 0.421 1334 G N 4.623 113.424 108.800 0.001 0.000 2.608 1334 G HA2 0.628 4.588 3.960 -0.000 0.000 0.291 1334 G HA3 0.628 4.588 3.960 -0.000 0.000 0.291 1334 G C -2.279 172.618 174.900 -0.006 0.000 1.425 1334 G CA -0.505 44.604 45.100 0.015 0.000 0.787 1334 G HN 0.664 nan 8.290 nan 0.000 0.484 1335 V N -0.572 119.332 119.914 -0.016 0.000 3.074 1335 V HA 0.990 5.110 4.120 -0.000 0.000 0.314 1335 V C -0.660 175.345 176.094 -0.149 0.000 1.117 1335 V CA -1.043 61.184 62.300 -0.122 0.000 1.014 1335 V CB 2.186 33.906 31.823 -0.172 0.000 1.057 1335 V HN 1.147 nan 8.190 nan 0.000 0.438 1336 R N 3.164 123.487 120.500 -0.295 0.000 2.535 1336 R HA 0.510 4.850 4.340 -0.000 0.000 0.274 1336 R C -2.473 173.683 176.300 -0.240 0.000 1.090 1336 R CA -0.405 55.602 56.100 -0.155 0.000 0.930 1336 R CB 1.393 31.666 30.300 -0.044 0.000 1.223 1336 R HN 0.502 nan 8.270 nan 0.000 0.441 1337 F N 2.312 122.361 119.950 0.165 0.000 2.427 1337 F HA 0.543 5.070 4.527 -0.000 0.000 0.346 1337 F C 0.092 175.919 175.800 0.046 0.000 1.120 1337 F CA -0.189 57.916 58.000 0.174 0.000 1.033 1337 F CB 2.435 41.563 39.000 0.214 0.000 1.126 1337 F HN 0.479 nan 8.300 nan 0.000 0.462 1338 S N 1.438 117.226 115.700 0.145 0.000 2.759 1338 S HA 0.492 4.962 4.470 -0.000 0.000 0.310 1338 S C -0.800 173.638 174.600 -0.269 0.000 1.123 1338 S CA -1.275 56.822 58.200 -0.171 0.000 0.959 1338 S CB 1.291 64.466 63.200 -0.042 0.000 1.172 1338 S HN 0.522 nan 8.310 nan 0.000 0.539 1339 K N 0.999 121.180 120.400 -0.366 0.000 4.856 1339 K HA -0.149 4.171 4.320 -0.000 0.000 0.306 1339 K C -1.117 175.403 176.600 -0.133 0.000 0.895 1339 K CA 0.141 56.298 56.287 -0.217 0.000 0.963 1339 K CB -1.215 31.262 32.500 -0.039 0.000 1.737 1339 K HN 0.340 nan 8.250 nan 0.000 0.424 1340 F N 2.121 122.101 119.950 0.050 0.000 2.284 1340 F HA 0.582 5.109 4.527 -0.000 0.000 0.297 1340 F C 1.456 177.273 175.800 0.028 0.000 1.215 1340 F CA -0.704 57.312 58.000 0.026 0.000 1.120 1340 F CB 0.312 39.316 39.000 0.007 0.000 1.426 1340 F HN 0.229 nan 8.300 nan 0.000 0.514 1341 I N 0.000 120.713 120.570 0.238 0.000 2.984 1341 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1341 I CA 0.000 61.380 61.300 0.133 0.000 1.566 1341 I CB 0.000 38.064 38.000 0.107 0.000 1.214 1341 I HN 0.000 nan 8.210 nan 0.000 0.494