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 1f07_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MKFGIEFVPN EPIEKIVKLV KLAEDVGFEY AWITDHYNNK NVYETLALIA DATA SEQUENCE EGTETIKLGP GVTNPYVRSP AITASAIATL DELSNGRATL GIGPGDKATF DATA SEQUENCE DALGIEWVKP VSTIRDAIAM MRTLLAGEKT ESGAQLMGVK AVQEKIPIYM DATA SEQUENCE GAQGPMMLKT AGEISDGALI NASNPKDFEA AVPLIKEGAE AAGKSIADID DATA SEQUENCE VAAYTCCSID EDAAAAANAA KIVVAFIAAG SPPPVFERHG LPADTGKKFG DATA SEQUENCE ELLGKGDFGG AIGAVDDALM EAFSVVGTPD EFIPKIEALG EMGVTQYVAG DATA SEQUENCE SPIGPDKEKS IKLLGEVIAS F 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.285 176.300 -0.024 0.000 1.140 1001 M CA 0.000 55.280 55.300 -0.033 0.000 0.988 1001 M CB 0.000 32.506 32.600 -0.157 0.000 1.302 1002 K N 3.763 124.113 120.400 -0.083 0.000 2.123 1002 K HA 0.424 nan 4.320 nan 0.000 0.248 1002 K C -1.554 174.967 176.600 -0.132 0.000 0.969 1002 K CA -1.550 54.787 56.287 0.084 0.000 0.882 1002 K CB 2.758 35.393 32.500 0.224 0.000 1.080 1002 K HN 0.329 8.511 8.250 -0.115 0.000 0.441 1003 F N -1.226 118.784 119.950 0.101 0.000 2.469 1003 F HA 0.659 nan 4.527 nan 0.000 0.332 1003 F C -0.401 175.636 175.800 0.394 0.000 1.103 1003 F CA -1.549 56.533 58.000 0.136 0.000 0.979 1003 F CB 3.184 42.064 39.000 -0.201 0.000 1.137 1003 F HN 0.294 8.922 8.300 0.546 0.000 0.463 1004 G N 0.622 109.758 108.800 0.561 0.000 2.569 1004 G HA2 0.834 nan 3.960 nan 0.000 0.300 1004 G HA3 0.834 nan 3.960 nan 0.000 0.300 1004 G C -3.035 172.149 174.900 0.473 0.000 1.269 1004 G CA -1.902 43.526 45.100 0.546 0.000 0.959 1004 G HN 0.796 9.328 8.290 0.403 0.000 0.478 1005 I N -1.195 119.502 120.570 0.212 0.000 2.722 1005 I HA 0.716 nan 4.170 nan 0.000 0.295 1005 I C -2.968 173.122 176.117 -0.045 0.000 1.161 1005 I CA -2.092 59.141 61.300 -0.113 0.000 1.032 1005 I CB 3.905 41.515 38.000 -0.651 0.000 1.244 1005 I HN 0.419 8.761 8.210 0.220 0.000 0.421 1006 E N 6.807 126.899 120.200 -0.179 0.000 2.179 1006 E HA 0.615 nan 4.350 nan 0.000 0.275 1006 E C -1.543 174.787 176.600 -0.451 0.000 0.945 1006 E CA -1.717 54.651 56.400 -0.053 0.000 0.792 1006 E CB 3.504 33.317 29.700 0.188 0.000 1.125 1006 E HN -0.064 8.139 8.360 -0.261 0.000 0.397 1007 F N 5.083 125.074 119.950 0.069 0.000 2.565 1007 F HA 0.194 nan 4.527 nan 0.000 0.313 1007 F C -1.643 174.166 175.800 0.015 0.000 1.091 1007 F CA -0.887 57.121 58.000 0.014 0.000 0.915 1007 F CB 4.013 43.002 39.000 -0.019 0.000 1.208 1007 F HN 0.751 9.188 8.300 0.228 0.000 0.453 1008 V N 3.089 123.099 119.914 0.161 0.000 2.394 1008 V HA 0.236 nan 4.120 nan 0.000 0.282 1008 V C -1.189 174.949 176.094 0.073 0.000 1.031 1008 V CA -3.282 59.066 62.300 0.080 0.000 0.881 1008 V CB 0.669 32.501 31.823 0.015 0.000 0.982 1008 V HN 0.462 8.750 8.190 0.164 0.000 0.451 1009 P HA 0.181 nan 4.420 nan 0.000 0.231 1009 P C -1.759 175.535 177.300 -0.011 0.000 1.756 1009 P CA -0.059 63.046 63.100 0.008 0.000 0.990 1009 P CB -1.870 29.822 31.700 -0.013 0.000 1.973 1010 N N -1.740 116.955 118.700 -0.010 0.000 2.291 1010 N HA 0.041 nan 4.740 nan 0.000 0.244 1010 N C -1.340 174.154 175.510 -0.026 0.000 1.216 1010 N CA -0.577 52.455 53.050 -0.030 0.000 0.879 1010 N CB 0.584 39.041 38.487 -0.051 0.000 1.167 1010 N HN 0.380 8.696 8.380 0.009 0.069 0.515 1011 E N -0.412 119.778 120.200 -0.017 0.000 2.429 1011 E HA 0.388 nan 4.350 nan 0.000 0.276 1011 E C -2.658 173.925 176.600 -0.027 0.000 0.953 1011 E CA -3.108 53.280 56.400 -0.019 0.000 0.787 1011 E CB 0.358 30.053 29.700 -0.008 0.000 1.307 1011 E HN -0.617 7.667 8.360 -0.012 0.068 0.458 1012 P HA -0.082 nan 4.420 nan 0.000 0.260 1012 P C 0.229 177.498 177.300 -0.051 0.000 1.172 1012 P CA 0.172 63.250 63.100 -0.036 0.000 0.760 1012 P CB 0.420 32.101 31.700 -0.033 0.000 0.773 1013 I N 6.058 126.598 120.570 -0.050 0.000 2.264 1013 I HA -0.561 nan 4.170 nan 0.000 0.248 1013 I C 1.800 177.868 176.117 -0.082 0.000 1.111 1013 I CA 3.723 64.984 61.300 -0.066 0.000 1.382 1013 I CB -0.361 37.609 38.000 -0.050 0.000 1.060 1013 I HN 0.190 8.377 8.210 -0.039 0.000 0.418 1014 E N -1.508 118.654 120.200 -0.064 0.000 2.118 1014 E HA -0.392 nan 4.350 nan 0.000 0.195 1014 E C 2.053 178.602 176.600 -0.085 0.000 0.992 1014 E CA 2.903 59.263 56.400 -0.066 0.000 0.804 1014 E CB -1.082 28.589 29.700 -0.048 0.000 0.741 1014 E HN 0.574 8.892 8.360 -0.051 0.011 0.458 1015 K N 0.238 120.588 120.400 -0.083 0.000 2.057 1015 K HA -0.223 nan 4.320 nan 0.000 0.206 1015 K C 2.283 178.785 176.600 -0.163 0.000 1.050 1015 K CA 2.651 58.882 56.287 -0.094 0.000 0.935 1015 K CB -0.059 32.402 32.500 -0.065 0.000 0.715 1015 K HN -0.721 7.392 8.250 -0.070 0.095 0.439 1016 I N -0.523 119.926 120.570 -0.201 0.000 2.286 1016 I HA -0.504 nan 4.170 nan 0.000 0.248 1016 I C 1.898 177.765 176.117 -0.417 0.000 1.115 1016 I CA 3.843 64.914 61.300 -0.381 0.000 1.392 1016 I CB -0.126 37.693 38.000 -0.302 0.000 1.065 1016 I HN -0.491 7.562 8.210 -0.147 0.068 0.418 1017 V N 0.131 119.897 119.914 -0.248 0.000 2.287 1017 V HA -0.570 nan 4.120 nan 0.000 0.248 1017 V C 2.023 178.003 176.094 -0.190 0.000 1.053 1017 V CA 4.937 67.118 62.300 -0.199 0.000 1.027 1017 V CB -1.183 30.565 31.823 -0.124 0.000 0.646 1017 V HN 0.247 8.313 8.190 -0.192 0.009 0.447 1018 K N -0.933 119.371 120.400 -0.159 0.000 2.057 1018 K HA -0.326 nan 4.320 nan 0.000 0.207 1018 K C 2.512 179.029 176.600 -0.138 0.000 1.049 1018 K CA 3.372 59.588 56.287 -0.119 0.000 0.931 1018 K CB -0.334 32.114 32.500 -0.086 0.000 0.714 1018 K HN -0.692 7.467 8.250 -0.151 0.000 0.440 1019 L N -1.218 119.874 121.223 -0.219 0.000 2.093 1019 L HA -0.324 nan 4.340 nan 0.000 0.208 1019 L C 2.159 178.891 176.870 -0.231 0.000 1.085 1019 L CA 3.111 57.825 54.840 -0.210 0.000 0.755 1019 L CB -0.328 41.557 42.059 -0.291 0.000 0.904 1019 L HN -0.131 7.943 8.230 -0.261 0.000 0.435 1020 V N -0.117 119.564 119.914 -0.389 0.000 2.548 1020 V HA -0.430 nan 4.120 nan 0.000 0.249 1020 V C 2.087 178.130 176.094 -0.085 0.000 1.055 1020 V CA 4.345 66.510 62.300 -0.224 0.000 1.065 1020 V CB -1.051 30.620 31.823 -0.254 0.000 0.681 1020 V HN 0.286 8.095 8.190 -0.472 0.098 0.462 1021 K N 0.288 120.633 120.400 -0.092 0.000 2.057 1021 K HA -0.240 nan 4.320 nan 0.000 0.206 1021 K C 1.871 178.468 176.600 -0.004 0.000 1.050 1021 K CA 2.268 58.529 56.287 -0.043 0.000 0.935 1021 K CB -0.596 31.873 32.500 -0.051 0.000 0.715 1021 K HN -0.239 7.848 8.250 -0.135 0.083 0.439 1022 L N -0.849 120.370 121.223 -0.006 0.000 2.017 1022 L HA -0.317 nan 4.340 nan 0.000 0.208 1022 L C 1.442 178.367 176.870 0.090 0.000 1.073 1022 L CA 2.903 57.762 54.840 0.032 0.000 0.745 1022 L CB -0.678 41.397 42.059 0.026 0.000 0.894 1022 L HN -0.129 7.988 8.230 -0.039 0.090 0.432 1023 A N -2.181 120.694 122.820 0.093 0.000 1.908 1023 A HA -0.435 nan 4.320 nan 0.000 0.218 1023 A C 1.935 179.709 177.584 0.317 0.000 1.181 1023 A CA 3.218 55.369 52.037 0.190 0.000 0.627 1023 A CB -1.075 17.878 19.000 -0.078 0.000 0.818 1023 A HN -0.024 8.082 8.150 0.041 0.068 0.445 1024 E N -1.573 118.722 120.200 0.159 0.000 2.077 1024 E HA -0.322 nan 4.350 nan 0.000 0.193 1024 E C 2.747 179.407 176.600 0.100 0.000 0.989 1024 E CA 3.067 59.542 56.400 0.126 0.000 0.800 1024 E CB -0.102 29.626 29.700 0.048 0.000 0.746 1024 E HN -0.140 8.165 8.360 0.089 0.108 0.452 1025 D N 0.226 120.673 120.400 0.078 0.000 2.218 1025 D HA -0.205 nan 4.640 nan 0.000 0.204 1025 D C 1.765 178.097 176.300 0.054 0.000 0.976 1025 D CA 2.837 56.867 54.000 0.051 0.000 0.853 1025 D CB 0.092 40.913 40.800 0.035 0.000 0.939 1025 D HN -0.035 8.301 8.370 0.073 0.078 0.481 1026 V N -8.690 111.281 119.914 0.095 0.000 3.596 1026 V HA 0.420 nan 4.120 nan 0.000 0.289 1026 V C 0.310 176.389 176.094 -0.024 0.000 1.336 1026 V CA -0.835 61.495 62.300 0.051 0.000 1.137 1026 V CB -0.788 31.088 31.823 0.089 0.000 0.966 1026 V HN -0.441 7.696 8.190 0.148 0.142 0.428 1027 G N -0.633 108.175 108.800 0.013 0.000 2.211 1027 G HA2 -0.322 nan 3.960 nan 0.000 0.201 1027 G HA3 -0.322 nan 3.960 nan 0.000 0.201 1027 G C -0.660 174.202 174.900 -0.063 0.000 0.997 1027 G CA -0.207 44.851 45.100 -0.071 0.000 0.652 1027 G HN -0.518 7.643 8.290 0.071 0.171 0.500 1028 F N 0.457 120.441 119.950 0.057 0.000 2.529 1028 F HA -0.207 nan 4.527 nan 0.000 0.365 1028 F C -0.501 175.369 175.800 0.117 0.000 1.102 1028 F CA 1.880 59.967 58.000 0.145 0.000 1.271 1028 F CB 0.565 39.658 39.000 0.156 0.000 1.120 1028 F HN -0.448 8.054 8.300 0.336 0.000 0.579 1029 E N -0.617 119.784 120.200 0.335 0.000 2.473 1029 E HA 0.152 nan 4.350 nan 0.000 0.204 1029 E C -0.344 176.205 176.600 -0.086 0.000 0.994 1029 E CA 0.616 57.088 56.400 0.120 0.000 0.945 1029 E CB 1.969 31.747 29.700 0.129 0.000 0.990 1029 E HN 0.470 9.104 8.360 0.456 0.000 0.493 1030 Y N -1.664 118.687 120.300 0.086 0.000 2.492 1030 Y HA 0.400 nan 4.550 nan 0.000 0.346 1030 Y C -2.204 173.582 175.900 -0.190 0.000 0.997 1030 Y CA -1.668 56.341 58.100 -0.152 0.000 1.025 1030 Y CB 3.832 42.178 38.460 -0.190 0.000 1.263 1030 Y HN -0.528 8.050 8.280 0.496 0.000 0.454 1031 A N 0.847 123.501 122.820 -0.276 0.000 2.343 1031 A HA 0.704 nan 4.320 nan 0.000 0.308 1031 A C -2.653 174.689 177.584 -0.404 0.000 1.092 1031 A CA -1.284 50.651 52.037 -0.170 0.000 0.751 1031 A CB 2.378 21.344 19.000 -0.057 0.000 1.203 1031 A HN 1.025 8.820 8.150 -0.431 0.097 0.452 1032 W N 1.580 122.903 121.300 0.039 0.000 2.532 1032 W HA 0.588 nan 4.660 nan 0.000 0.321 1032 W C -1.616 174.944 176.519 0.068 0.000 1.037 1032 W CA -1.877 55.465 57.345 -0.005 0.000 1.220 1032 W CB 2.792 32.177 29.460 -0.125 0.000 1.361 1032 W HN 1.074 9.264 8.180 0.194 0.107 0.468 1033 I N 2.966 123.685 120.570 0.248 0.000 2.406 1033 I HA 0.652 nan 4.170 nan 0.000 0.290 1033 I C 0.214 176.395 176.117 0.108 0.000 0.999 1033 I CA -2.632 58.763 61.300 0.158 0.000 1.124 1033 I CB 1.724 39.755 38.000 0.052 0.000 1.289 1033 I HN 0.400 8.745 8.210 0.226 0.000 0.441 1034 T N 4.025 118.630 114.554 0.085 0.000 2.860 1034 T HA 0.057 nan 4.350 nan 0.000 0.299 1034 T C -0.945 173.670 174.700 -0.141 0.000 1.045 1034 T CA -0.685 61.407 62.100 -0.013 0.000 1.071 1034 T CB 0.407 69.291 68.868 0.026 0.000 0.985 1034 T HN 0.138 8.445 8.240 0.112 0.000 0.537 1035 D N 3.324 123.518 120.400 -0.344 0.000 2.440 1035 D HA 0.186 nan 4.640 nan 0.000 0.252 1035 D C -1.484 174.471 176.300 -0.575 0.000 1.180 1035 D CA -0.723 53.070 54.000 -0.344 0.000 0.894 1035 D CB 0.886 41.550 40.800 -0.226 0.000 1.111 1035 D HN 0.267 8.369 8.370 -0.446 0.000 0.544 1036 H N 3.713 122.756 119.070 -0.046 0.000 2.806 1036 H HA 0.349 nan 4.556 nan 0.000 0.367 1036 H C 0.511 175.794 175.328 -0.075 0.000 1.136 1036 H CA -0.930 55.079 56.048 -0.065 0.000 1.178 1036 H CB 3.449 33.111 29.762 -0.166 0.000 1.718 1036 H HN 0.141 8.348 8.280 -0.121 0.000 0.540 1037 Y N 3.534 123.892 120.300 0.096 0.000 2.315 1037 Y HA -0.391 nan 4.550 nan 0.000 0.288 1037 Y C -0.491 175.436 175.900 0.044 0.000 1.154 1037 Y CA 2.370 60.507 58.100 0.061 0.000 1.229 1037 Y CB -0.208 38.288 38.460 0.059 0.000 0.980 1037 Y HN 0.336 8.848 8.280 0.387 0.000 0.540 1038 N N -3.570 114.495 118.700 -1.059 0.000 2.461 1038 N HA -0.071 nan 4.740 nan 0.000 0.188 1038 N C -0.619 174.709 175.510 -0.304 0.000 1.134 1038 N CA 0.025 52.609 53.050 -0.777 0.000 0.878 1038 N CB -0.385 37.542 38.487 -0.933 0.000 0.972 1038 N HN 0.036 7.723 8.380 -1.106 0.029 0.456 1039 N N 0.417 119.008 118.700 -0.182 0.000 2.815 1039 N HA 0.301 nan 4.740 nan 0.000 0.315 1039 N C -1.366 174.113 175.510 -0.051 0.000 1.320 1039 N CA -0.846 52.149 53.050 -0.093 0.000 0.846 1039 N CB 2.693 41.147 38.487 -0.056 0.000 1.344 1039 N HN -0.623 7.488 8.380 -0.168 0.169 0.593 1040 K N 0.506 120.885 120.400 -0.035 0.000 2.414 1040 K HA -0.102 nan 4.320 nan 0.000 0.272 1040 K C -0.233 176.354 176.600 -0.021 0.000 0.993 1040 K CA 0.247 56.522 56.287 -0.021 0.000 0.964 1040 K CB 0.563 33.050 32.500 -0.022 0.000 0.925 1040 K HN 0.208 8.436 8.250 -0.037 0.000 0.487 1041 N N 0.748 119.446 118.700 -0.003 0.000 2.411 1041 N HA -0.171 nan 4.740 nan 0.000 0.261 1041 N C 0.946 176.425 175.510 -0.053 0.000 1.248 1041 N CA 0.816 53.867 53.050 0.001 0.000 0.885 1041 N CB 0.655 39.172 38.487 0.050 0.000 1.062 1041 N HN 0.062 8.447 8.380 0.008 0.000 0.471 1042 V N 6.190 126.011 119.914 -0.155 0.000 2.407 1042 V HA -0.317 nan 4.120 nan 0.000 0.248 1042 V C 1.230 177.133 176.094 -0.318 0.000 1.055 1042 V CA 3.072 65.201 62.300 -0.286 0.000 1.049 1042 V CB -0.095 31.450 31.823 -0.463 0.000 0.662 1042 V HN 0.812 8.912 8.190 -0.150 0.000 0.455 1043 Y N -1.670 118.641 120.300 0.017 0.000 2.337 1043 Y HA -0.387 nan 4.550 nan 0.000 0.293 1043 Y C 2.326 178.226 175.900 0.001 0.000 1.123 1043 Y CA 3.509 61.615 58.100 0.011 0.000 1.201 1043 Y CB -0.189 38.281 38.460 0.015 0.000 1.011 1043 Y HN -0.533 7.748 8.280 -0.212 -0.127 0.545 1044 E N -0.383 119.887 120.200 0.117 0.000 2.106 1044 E HA -0.352 nan 4.350 nan 0.000 0.192 1044 E C 2.550 179.163 176.600 0.022 0.000 0.984 1044 E CA 3.547 59.985 56.400 0.063 0.000 0.806 1044 E CB -0.233 29.494 29.700 0.044 0.000 0.750 1044 E HN 0.145 8.915 8.360 0.111 -0.344 0.458 1045 T N 3.235 117.786 114.554 -0.005 0.000 2.701 1045 T HA -0.199 nan 4.350 nan 0.000 0.263 1045 T C 2.104 176.785 174.700 -0.031 0.000 1.040 1045 T CA 4.958 67.040 62.100 -0.031 0.000 1.147 1045 T CB -0.464 68.375 68.868 -0.048 0.000 0.865 1045 T HN -0.317 7.907 8.240 -0.010 0.010 0.426 1046 L N 0.122 121.333 121.223 -0.020 0.000 2.079 1046 L HA -0.409 nan 4.340 nan 0.000 0.210 1046 L C 1.740 178.614 176.870 0.006 0.000 1.081 1046 L CA 3.217 58.052 54.840 -0.009 0.000 0.752 1046 L CB -0.707 41.367 42.059 0.023 0.000 0.896 1046 L HN 0.190 8.292 8.230 -0.030 0.110 0.433 1047 A N -0.405 122.434 122.820 0.032 0.000 1.877 1047 A HA -0.312 nan 4.320 nan 0.000 0.216 1047 A C 2.124 179.705 177.584 -0.006 0.000 1.186 1047 A CA 3.206 55.256 52.037 0.022 0.000 0.620 1047 A CB -0.878 18.143 19.000 0.035 0.000 0.822 1047 A HN 0.112 8.178 8.150 0.053 0.116 0.443 1048 L N -2.347 118.868 121.223 -0.014 0.000 2.141 1048 L HA -0.374 nan 4.340 nan 0.000 0.209 1048 L C 2.302 179.144 176.870 -0.047 0.000 1.094 1048 L CA 2.786 57.608 54.840 -0.030 0.000 0.763 1048 L CB -0.234 41.804 42.059 -0.034 0.000 0.908 1048 L HN -0.574 7.650 8.230 -0.009 0.000 0.437 1049 I N -0.964 119.571 120.570 -0.057 0.000 2.226 1049 I HA -0.513 nan 4.170 nan 0.000 0.245 1049 I C 1.664 177.743 176.117 -0.063 0.000 1.100 1049 I CA 3.619 64.872 61.300 -0.078 0.000 1.374 1049 I CB -0.252 37.692 38.000 -0.092 0.000 1.057 1049 I HN -0.090 8.007 8.210 -0.050 0.083 0.413 1050 A N -1.573 121.219 122.820 -0.047 0.000 1.908 1050 A HA -0.296 nan 4.320 nan 0.000 0.218 1050 A C 2.028 179.589 177.584 -0.037 0.000 1.181 1050 A CA 2.708 54.720 52.037 -0.041 0.000 0.627 1050 A CB -0.613 18.370 19.000 -0.027 0.000 0.818 1050 A HN 0.086 8.109 8.150 -0.038 0.104 0.445 1051 E N -1.124 119.056 120.200 -0.033 0.000 2.077 1051 E HA -0.284 nan 4.350 nan 0.000 0.193 1051 E C 2.236 178.816 176.600 -0.034 0.000 0.989 1051 E CA 2.034 58.416 56.400 -0.030 0.000 0.800 1051 E CB 0.095 29.780 29.700 -0.026 0.000 0.746 1051 E HN -0.436 7.827 8.360 -0.031 0.079 0.452 1052 G N -2.595 106.179 108.800 -0.044 0.000 3.233 1052 G HA2 0.007 nan 3.960 nan 0.000 0.227 1052 G HA3 0.007 nan 3.960 nan 0.000 0.227 1052 G C -1.314 173.557 174.900 -0.048 0.000 1.175 1052 G CA 0.025 45.097 45.100 -0.047 0.000 0.781 1052 G HN -0.374 7.811 8.290 -0.048 0.076 0.542 1053 T N -3.691 110.836 114.554 -0.046 0.000 2.865 1053 T HA 0.441 nan 4.350 nan 0.000 0.294 1053 T C -1.154 173.523 174.700 -0.037 0.000 1.119 1053 T CA -1.806 60.268 62.100 -0.043 0.000 1.007 1053 T CB 2.680 71.516 68.868 -0.053 0.000 1.225 1053 T HN -0.714 7.420 8.240 -0.044 0.079 0.515 1054 E N -2.328 117.852 120.200 -0.033 0.000 2.505 1054 E HA 0.168 nan 4.350 nan 0.000 0.212 1054 E C -0.099 176.480 176.600 -0.036 0.000 0.825 1054 E CA 0.733 57.115 56.400 -0.031 0.000 1.333 1054 E CB 2.403 32.089 29.700 -0.022 0.000 1.319 1054 E HN -0.022 8.795 8.360 -0.031 -0.475 0.658 1055 T N -6.315 108.216 114.554 -0.039 0.000 3.010 1055 T HA 0.166 nan 4.350 nan 0.000 0.253 1055 T C -0.358 174.297 174.700 -0.076 0.000 0.939 1055 T CA 0.599 62.670 62.100 -0.049 0.000 0.910 1055 T CB 2.241 71.090 68.868 -0.031 0.000 1.226 1055 T HN 0.030 8.880 8.240 -0.034 -0.630 0.508 1056 I N 3.454 123.983 120.570 -0.068 0.000 2.752 1056 I HA -0.165 nan 4.170 nan 0.000 0.287 1056 I C -1.401 174.610 176.117 -0.177 0.000 1.188 1056 I CA 0.514 61.755 61.300 -0.099 0.000 1.427 1056 I CB 1.415 39.391 38.000 -0.041 0.000 1.365 1056 I HN 0.222 8.894 8.210 -0.045 -0.489 0.585 1057 K N 6.721 126.937 120.400 -0.308 0.000 2.218 1057 K HA 0.497 nan 4.320 nan 0.000 0.276 1057 K C -1.475 174.911 176.600 -0.357 0.000 1.022 1057 K CA 0.295 56.364 56.287 -0.364 0.000 0.946 1057 K CB 0.696 32.846 32.500 -0.584 0.000 1.000 1057 K HN 0.386 8.299 8.250 -0.373 0.114 0.468 1058 L N -2.434 118.609 121.223 -0.300 0.000 2.434 1058 L HA 0.937 nan 4.340 nan 0.000 0.260 1058 L C -1.354 175.354 176.870 -0.270 0.000 0.983 1058 L CA -2.037 52.619 54.840 -0.307 0.000 0.820 1058 L CB 2.373 44.327 42.059 -0.174 0.000 1.361 1058 L HN 0.383 8.472 8.230 -0.235 0.000 0.410 1059 G N -2.372 106.250 108.800 -0.297 0.000 2.451 1059 G HA2 0.304 nan 3.960 nan 0.000 0.292 1059 G HA3 0.304 nan 3.960 nan 0.000 0.292 1059 G C -3.522 171.393 174.900 0.024 0.000 1.427 1059 G CA 0.115 45.149 45.100 -0.111 0.000 0.792 1059 G HN -0.077 7.995 8.290 -0.363 0.000 0.498 1060 P HA 0.138 nan 4.420 nan 0.000 0.275 1060 P C -1.299 176.204 177.300 0.340 0.000 1.227 1060 P CA -0.590 62.580 63.100 0.116 0.000 0.781 1060 P CB 0.613 32.313 31.700 0.001 0.000 0.906 1061 G N 0.909 109.897 108.800 0.313 0.000 3.712 1061 G HA2 0.123 nan 3.960 nan 0.000 0.327 1061 G HA3 0.123 nan 3.960 nan 0.000 0.327 1061 G C -1.979 173.044 174.900 0.205 0.000 1.566 1061 G CA 0.124 45.393 45.100 0.280 0.000 0.953 1061 G HN 0.367 8.663 8.290 0.214 0.122 0.488 1062 V N -3.728 116.244 119.914 0.096 0.000 3.102 1062 V HA 0.750 nan 4.120 nan 0.000 0.312 1062 V C -1.305 174.816 176.094 0.046 0.000 1.135 1062 V CA -3.236 59.120 62.300 0.093 0.000 1.022 1062 V CB 2.774 34.653 31.823 0.093 0.000 1.056 1062 V HN -0.792 7.423 8.190 0.041 0.000 0.436 1063 T N 1.234 115.843 114.554 0.092 0.000 2.865 1063 T HA 0.575 nan 4.350 nan 0.000 0.302 1063 T C -1.762 173.029 174.700 0.152 0.000 1.078 1063 T CA -1.593 60.562 62.100 0.093 0.000 0.942 1063 T CB 1.194 70.151 68.868 0.148 0.000 1.387 1063 T HN 0.706 8.931 8.240 0.133 0.094 0.557 1064 N N -2.045 116.774 118.700 0.199 0.000 2.732 1064 N HA 0.506 nan 4.740 nan 0.000 0.259 1064 N C -2.204 173.429 175.510 0.205 0.000 1.402 1064 N CA -1.465 51.748 53.050 0.272 0.000 0.829 1064 N CB 0.997 39.754 38.487 0.451 0.000 1.495 1064 N HN 0.157 8.652 8.380 0.192 0.000 0.511 1065 P HA 0.150 nan 4.420 nan 0.000 0.257 1065 P C -1.345 175.798 177.300 -0.261 0.000 1.281 1065 P CA 1.299 64.337 63.100 -0.104 0.000 0.826 1065 P CB -0.040 31.528 31.700 -0.220 0.000 1.237 1066 Y N -2.775 117.496 120.300 -0.047 0.000 2.441 1066 Y HA -0.104 nan 4.550 nan 0.000 0.288 1066 Y C 1.530 177.368 175.900 -0.103 0.000 1.118 1066 Y CA 1.598 59.569 58.100 -0.215 0.000 1.215 1066 Y CB -0.247 37.734 38.460 -0.799 0.000 1.118 1066 Y HN -0.135 8.217 8.280 0.258 0.083 0.547 1067 V N -7.099 112.935 119.914 0.201 0.000 3.129 1067 V HA 0.028 nan 4.120 nan 0.000 0.259 1067 V C -0.131 176.041 176.094 0.130 0.000 1.116 1067 V CA 0.787 63.202 62.300 0.192 0.000 1.127 1067 V CB -0.092 31.894 31.823 0.272 0.000 0.742 1067 V HN -0.293 8.061 8.190 0.273 0.000 0.474 1068 R N -1.783 118.783 120.500 0.110 0.000 2.740 1068 R HA 0.283 nan 4.340 nan 0.000 0.273 1068 R C -1.673 174.648 176.300 0.036 0.000 0.998 1068 R CA -1.619 54.529 56.100 0.081 0.000 0.900 1068 R CB 3.089 33.457 30.300 0.113 0.000 1.223 1068 R HN -0.391 7.921 8.270 0.115 0.027 0.466 1069 S N 2.343 118.052 115.700 0.016 0.000 2.549 1069 S HA 0.159 nan 4.470 nan 0.000 0.283 1069 S C -0.211 174.385 174.600 -0.007 0.000 1.320 1069 S CA -1.396 56.799 58.200 -0.009 0.000 1.058 1069 S CB 0.955 64.148 63.200 -0.011 0.000 0.882 1069 S HN 0.227 8.549 8.310 0.021 0.000 0.498 1070 P HA -0.198 nan 4.420 nan 0.000 0.218 1070 P C 0.109 177.403 177.300 -0.009 0.000 1.146 1070 P CA 2.698 65.793 63.100 -0.008 0.000 0.813 1070 P CB 0.003 31.690 31.700 -0.022 0.000 0.778 1071 A N -3.030 119.780 122.820 -0.016 0.000 1.969 1071 A HA -0.177 nan 4.320 nan 0.000 0.218 1071 A C 1.994 179.558 177.584 -0.033 0.000 1.169 1071 A CA 3.011 55.036 52.037 -0.021 0.000 0.635 1071 A CB -0.707 18.281 19.000 -0.019 0.000 0.810 1071 A HN -0.319 7.795 8.150 -0.018 0.024 0.445 1072 I N -1.646 118.905 120.570 -0.032 0.000 2.252 1072 I HA -0.428 nan 4.170 nan 0.000 0.245 1072 I C 1.981 178.037 176.117 -0.101 0.000 1.102 1072 I CA 2.470 63.737 61.300 -0.054 0.000 1.385 1072 I CB -1.113 36.872 38.000 -0.026 0.000 1.064 1072 I HN -0.177 7.904 8.210 -0.020 0.117 0.414 1073 T N 2.161 116.683 114.554 -0.053 0.000 2.746 1073 T HA -0.313 nan 4.350 nan 0.000 0.267 1073 T C 1.586 176.234 174.700 -0.087 0.000 1.039 1073 T CA 5.261 67.327 62.100 -0.056 0.000 1.142 1073 T CB -0.561 68.348 68.868 0.068 0.000 0.866 1073 T HN -0.088 8.144 8.240 -0.014 0.000 0.444 1074 A N 1.176 123.970 122.820 -0.044 0.000 1.883 1074 A HA -0.329 nan 4.320 nan 0.000 0.217 1074 A C 1.992 179.535 177.584 -0.068 0.000 1.186 1074 A CA 3.423 55.440 52.037 -0.034 0.000 0.624 1074 A CB -0.702 18.288 19.000 -0.017 0.000 0.822 1074 A HN 0.195 8.150 8.150 -0.029 0.178 0.444 1075 S N -1.258 114.388 115.700 -0.089 0.000 2.402 1075 S HA -0.311 nan 4.470 nan 0.000 0.229 1075 S C 2.067 176.571 174.600 -0.159 0.000 1.021 1075 S CA 3.287 61.428 58.200 -0.098 0.000 0.974 1075 S CB -0.460 62.691 63.200 -0.081 0.000 0.800 1075 S HN -0.273 7.987 8.310 -0.082 0.000 0.484 1076 A N 2.835 125.482 122.820 -0.289 0.000 1.902 1076 A HA -0.233 nan 4.320 nan 0.000 0.217 1076 A C 2.160 179.548 177.584 -0.326 0.000 1.181 1076 A CA 3.090 54.820 52.037 -0.511 0.000 0.623 1076 A CB -0.762 17.466 19.000 -1.287 0.000 0.818 1076 A HN 0.284 8.175 8.150 -0.280 0.090 0.443 1077 I N -1.824 118.629 120.570 -0.195 0.000 2.286 1077 I HA -0.381 nan 4.170 nan 0.000 0.245 1077 I C 2.049 178.155 176.117 -0.018 0.000 1.104 1077 I CA 1.420 62.707 61.300 -0.022 0.000 1.397 1077 I CB -1.328 36.697 38.000 0.042 0.000 1.072 1077 I HN 0.211 8.295 8.210 -0.209 0.000 0.417 1078 A N -0.028 122.769 122.820 -0.038 0.000 1.933 1078 A HA -0.332 nan 4.320 nan 0.000 0.218 1078 A C 2.140 179.708 177.584 -0.027 0.000 1.175 1078 A CA 3.723 55.746 52.037 -0.024 0.000 0.628 1078 A CB -0.878 18.105 19.000 -0.027 0.000 0.814 1078 A HN 0.459 8.467 8.150 -0.058 0.107 0.444 1079 T N 2.608 117.135 114.554 -0.046 0.000 2.746 1079 T HA -0.275 nan 4.350 nan 0.000 0.267 1079 T C 1.795 176.486 174.700 -0.016 0.000 1.039 1079 T CA 4.637 66.716 62.100 -0.036 0.000 1.142 1079 T CB -0.491 68.345 68.868 -0.053 0.000 0.866 1079 T HN 0.023 8.107 8.240 -0.073 0.112 0.444 1080 L N 0.812 122.032 121.223 -0.005 0.000 2.046 1080 L HA -0.308 nan 4.340 nan 0.000 0.208 1080 L C 1.012 177.884 176.870 0.004 0.000 1.077 1080 L CA 3.113 57.965 54.840 0.020 0.000 0.747 1080 L CB -0.310 41.788 42.059 0.065 0.000 0.896 1080 L HN -0.264 7.882 8.230 -0.020 0.072 0.432 1081 D N -1.214 119.186 120.400 0.001 0.000 2.117 1081 D HA -0.345 nan 4.640 nan 0.000 0.197 1081 D C 2.379 178.673 176.300 -0.009 0.000 0.987 1081 D CA 3.658 57.655 54.000 -0.004 0.000 0.829 1081 D CB -0.147 40.653 40.800 0.001 0.000 0.961 1081 D HN 0.176 8.346 8.370 0.001 0.201 0.460 1082 E N -0.239 119.955 120.200 -0.010 0.000 2.047 1082 E HA -0.264 nan 4.350 nan 0.000 0.191 1082 E C 3.231 179.824 176.600 -0.012 0.000 0.987 1082 E CA 2.819 59.212 56.400 -0.011 0.000 0.799 1082 E CB 0.080 29.773 29.700 -0.011 0.000 0.752 1082 E HN -0.302 7.975 8.360 -0.010 0.077 0.449 1083 L N -2.112 119.105 121.223 -0.010 0.000 2.127 1083 L HA -0.291 nan 4.340 nan 0.000 0.211 1083 L C 1.663 178.524 176.870 -0.016 0.000 1.089 1083 L CA 2.475 57.308 54.840 -0.011 0.000 0.757 1083 L CB 0.129 42.184 42.059 -0.006 0.000 0.899 1083 L HN 0.061 8.286 8.230 -0.009 0.000 0.434 1084 S N -5.346 110.342 115.700 -0.019 0.000 2.556 1084 S HA -0.043 nan 4.470 nan 0.000 0.216 1084 S C -0.456 174.127 174.600 -0.028 0.000 0.970 1084 S CA -0.525 57.657 58.200 -0.029 0.000 0.912 1084 S CB 0.942 64.119 63.200 -0.038 0.000 0.790 1084 S HN -0.205 8.068 8.310 -0.016 0.027 0.504 1085 N N 0.884 119.571 118.700 -0.021 0.000 2.746 1085 N HA -0.402 nan 4.740 nan 0.000 0.250 1085 N C -0.069 175.428 175.510 -0.021 0.000 1.055 1085 N CA 0.046 53.085 53.050 -0.019 0.000 0.699 1085 N CB -1.041 37.434 38.487 -0.019 0.000 0.919 1085 N HN -0.476 7.712 8.380 -0.018 0.181 0.548 1086 G N -2.797 105.991 108.800 -0.019 0.000 2.171 1086 G HA2 -0.444 nan 3.960 nan 0.000 0.238 1086 G HA3 -0.444 nan 3.960 nan 0.000 0.238 1086 G C -1.330 173.550 174.900 -0.032 0.000 1.039 1086 G CA 0.264 45.352 45.100 -0.018 0.000 0.759 1086 G HN 0.549 8.715 8.290 -0.017 0.114 0.501 1087 R N -3.106 117.367 120.500 -0.045 0.000 2.437 1087 R HA 0.149 nan 4.340 nan 0.000 0.257 1087 R C -0.790 175.457 176.300 -0.088 0.000 0.927 1087 R CA -1.103 54.949 56.100 -0.079 0.000 1.078 1087 R CB 0.921 31.165 30.300 -0.093 0.000 1.161 1087 R HN -0.527 7.741 8.270 -0.037 -0.021 0.529 1088 A N 0.087 122.880 122.820 -0.045 0.000 2.407 1088 A HA 0.253 nan 4.320 nan 0.000 0.248 1088 A C -0.897 176.680 177.584 -0.013 0.000 1.082 1088 A CA 0.580 52.599 52.037 -0.030 0.000 0.785 1088 A CB 0.444 19.451 19.000 0.012 0.000 1.020 1088 A HN -0.550 7.837 8.150 -0.027 -0.254 0.489 1089 T N -2.851 111.689 114.554 -0.024 0.000 2.883 1089 T HA 0.483 nan 4.350 nan 0.000 0.296 1089 T C -1.576 173.204 174.700 0.134 0.000 1.117 1089 T CA -1.617 60.513 62.100 0.050 0.000 1.006 1089 T CB 2.903 71.687 68.868 -0.140 0.000 1.191 1089 T HN 0.196 8.405 8.240 -0.052 0.000 0.508 1090 L N 1.531 122.921 121.223 0.279 0.000 2.457 1090 L HA 0.437 nan 4.340 nan 0.000 0.266 1090 L C -1.927 175.177 176.870 0.390 0.000 0.979 1090 L CA -0.592 54.426 54.840 0.297 0.000 0.857 1090 L CB 3.349 45.545 42.059 0.228 0.000 1.213 1090 L HN 0.649 9.104 8.230 0.375 0.000 0.418 1091 G N 6.031 115.073 108.800 0.403 0.000 2.335 1091 G HA2 0.683 nan 3.960 nan 0.000 0.316 1091 G HA3 0.683 nan 3.960 nan 0.000 0.316 1091 G C -2.916 172.109 174.900 0.208 0.000 1.129 1091 G CA -1.583 43.697 45.100 0.300 0.000 0.899 1091 G HN 0.173 8.703 8.290 0.400 0.000 0.448 1092 I N 3.727 124.403 120.570 0.178 0.000 2.582 1092 I HA 0.845 nan 4.170 nan 0.000 0.292 1092 I C -2.172 174.034 176.117 0.150 0.000 1.066 1092 I CA -2.414 58.982 61.300 0.160 0.000 1.053 1092 I CB 3.781 41.874 38.000 0.154 0.000 1.241 1092 I HN 1.046 9.260 8.210 0.181 0.105 0.421 1093 G N 4.621 113.524 108.800 0.171 0.000 2.818 1093 G HA2 0.575 nan 3.960 nan 0.000 0.286 1093 G HA3 0.575 nan 3.960 nan 0.000 0.286 1093 G C -3.018 172.056 174.900 0.291 0.000 1.364 1093 G CA -1.410 43.805 45.100 0.192 0.000 0.938 1093 G HN 0.615 8.906 8.290 0.180 0.107 0.490 1094 P HA -0.023 nan 4.420 nan 0.000 0.231 1094 P C -0.355 177.350 177.300 0.674 0.000 1.168 1094 P CA 0.584 64.045 63.100 0.601 0.000 0.779 1094 P CB 0.819 32.862 31.700 0.571 0.000 0.844 1095 G N -0.944 108.072 108.800 0.359 0.000 2.615 1095 G HA2 -0.365 nan 3.960 nan 0.000 0.218 1095 G HA3 -0.365 nan 3.960 nan 0.000 0.218 1095 G C -2.700 171.991 174.900 -0.348 0.000 1.339 1095 G CA -0.285 44.853 45.100 0.063 0.000 0.884 1095 G HN -0.188 8.233 8.290 0.291 0.044 0.559 1096 D N -1.090 118.728 120.400 -0.971 0.000 2.819 1096 D HA 0.101 nan 4.640 nan 0.000 0.232 1096 D C -0.566 174.922 176.300 -1.353 0.000 1.160 1096 D CA -1.405 52.000 54.000 -0.990 0.000 0.858 1096 D CB 2.950 43.450 40.800 -0.501 0.000 1.610 1096 D HN -0.269 7.263 8.370 -1.398 0.000 0.481 1097 K N 2.474 122.222 120.400 -1.086 0.000 2.032 1097 K HA -0.418 nan 4.320 nan 0.000 0.209 1097 K C 1.468 177.880 176.600 -0.312 0.000 1.048 1097 K CA 3.589 59.585 56.287 -0.486 0.000 0.927 1097 K CB -0.057 32.502 32.500 0.099 0.000 0.712 1097 K HN 0.638 8.331 8.250 -0.929 0.000 0.441 1098 A N -3.637 119.025 122.820 -0.263 0.000 1.917 1098 A HA -0.213 nan 4.320 nan 0.000 0.219 1098 A C 2.533 179.990 177.584 -0.212 0.000 1.182 1098 A CA 3.110 55.044 52.037 -0.171 0.000 0.633 1098 A CB -1.013 17.911 19.000 -0.127 0.000 0.819 1098 A HN 0.297 8.288 8.150 -0.264 0.000 0.448 1099 T N 2.745 117.065 114.554 -0.390 0.000 2.701 1099 T HA -0.234 nan 4.350 nan 0.000 0.263 1099 T C 2.212 176.719 174.700 -0.321 0.000 1.040 1099 T CA 4.742 66.620 62.100 -0.370 0.000 1.147 1099 T CB -0.375 68.145 68.868 -0.581 0.000 0.865 1099 T HN -0.074 8.156 8.240 -0.530 -0.308 0.426 1100 F N -0.518 119.283 119.950 -0.248 0.000 2.293 1100 F HA -0.251 nan 4.527 nan 0.000 0.300 1100 F C 1.733 177.453 175.800 -0.133 0.000 1.086 1100 F CA 1.098 58.967 58.000 -0.219 0.000 1.375 1100 F CB -1.363 37.430 39.000 -0.345 0.000 1.045 1100 F HN -0.468 7.205 8.300 -1.045 0.000 0.516 1101 D N 0.512 120.924 120.400 0.019 0.000 2.097 1101 D HA -0.239 nan 4.640 nan 0.000 0.197 1101 D C 2.921 179.217 176.300 -0.007 0.000 0.984 1101 D CA 3.678 57.690 54.000 0.019 0.000 0.826 1101 D CB -0.613 40.189 40.800 0.004 0.000 0.973 1101 D HN 0.372 8.680 8.370 -0.062 0.024 0.460 1102 A N -0.513 122.280 122.820 -0.044 0.000 2.015 1102 A HA -0.111 nan 4.320 nan 0.000 0.219 1102 A C 1.226 178.745 177.584 -0.107 0.000 1.163 1102 A CA 2.656 54.654 52.037 -0.065 0.000 0.646 1102 A CB -0.217 18.744 19.000 -0.064 0.000 0.806 1102 A HN -0.502 7.532 8.150 -0.064 0.077 0.448 1103 L N -5.996 115.165 121.223 -0.103 0.000 2.607 1103 L HA 0.100 nan 4.340 nan 0.000 0.228 1103 L C 0.323 177.182 176.870 -0.020 0.000 1.123 1103 L CA -0.606 54.173 54.840 -0.102 0.000 0.890 1103 L CB 0.009 42.017 42.059 -0.085 0.000 1.103 1103 L HN -0.571 7.489 8.230 -0.063 0.132 0.468 1104 G N -0.494 108.309 108.800 0.005 0.000 2.305 1104 G HA2 -0.339 nan 3.960 nan 0.000 0.287 1104 G HA3 -0.339 nan 3.960 nan 0.000 0.287 1104 G C -0.394 174.529 174.900 0.037 0.000 1.036 1104 G CA 0.676 45.788 45.100 0.021 0.000 0.887 1104 G HN -0.509 7.584 8.290 0.001 0.197 0.505 1105 I N -0.323 120.285 120.570 0.062 0.000 2.412 1105 I HA 0.025 nan 4.170 nan 0.000 0.296 1105 I C -0.740 175.407 176.117 0.051 0.000 0.987 1105 I CA -0.952 60.372 61.300 0.040 0.000 1.180 1105 I CB 1.608 39.600 38.000 -0.013 0.000 1.340 1105 I HN 0.068 8.206 8.210 0.090 0.126 0.455 1106 E N 7.448 127.686 120.200 0.063 0.000 2.104 1106 E HA -0.101 nan 4.350 nan 0.000 0.278 1106 E C -0.555 176.128 176.600 0.139 0.000 1.127 1106 E CA -0.607 55.854 56.400 0.102 0.000 0.897 1106 E CB 0.505 30.259 29.700 0.091 0.000 1.043 1106 E HN 0.340 8.736 8.360 0.059 0.000 0.410 1107 W N 8.882 130.109 121.300 -0.121 0.000 1.606 1107 W HA -0.020 nan 4.660 nan 0.000 0.455 1107 W C -1.140 175.350 176.519 -0.049 0.000 0.711 1107 W CA -1.927 55.245 57.345 -0.287 0.000 1.876 1107 W CB -1.153 28.207 29.460 -0.166 0.000 1.776 1107 W HN 0.121 8.458 8.180 0.261 0.000 0.229 1108 V N 0.578 120.614 119.914 0.203 0.000 2.539 1108 V HA 0.172 nan 4.120 nan 0.000 0.292 1108 V C -0.594 175.531 176.094 0.053 0.000 1.045 1108 V CA -2.462 59.882 62.300 0.073 0.000 0.945 1108 V CB 1.215 33.090 31.823 0.085 0.000 0.993 1108 V HN -0.541 7.827 8.190 0.372 0.045 0.464 1109 K N 1.633 121.995 120.400 -0.063 0.000 4.116 1109 K HA -0.306 nan 4.320 nan 0.000 0.277 1109 K C -0.967 175.622 176.600 -0.019 0.000 0.835 1109 K CA 0.352 56.601 56.287 -0.064 0.000 0.740 1109 K CB -1.592 30.892 32.500 -0.027 0.000 1.714 1109 K HN 0.409 8.603 8.250 -0.093 0.000 0.433 1110 P HA -0.327 nan 4.420 nan 0.000 0.216 1110 P C 0.869 178.216 177.300 0.078 0.000 1.154 1110 P CA 2.296 65.440 63.100 0.073 0.000 0.865 1110 P CB -0.092 31.540 31.700 -0.114 0.000 0.789 1111 V N -1.641 118.278 119.914 0.007 0.000 2.237 1111 V HA -0.233 nan 4.120 nan 0.000 0.245 1111 V C 2.180 178.281 176.094 0.012 0.000 1.046 1111 V CA 3.956 66.265 62.300 0.014 0.000 1.007 1111 V CB -1.406 30.411 31.823 -0.009 0.000 0.638 1111 V HN 0.105 8.270 8.190 -0.043 0.000 0.445 1112 S N -1.364 114.334 115.700 -0.003 0.000 2.402 1112 S HA -0.216 nan 4.470 nan 0.000 0.229 1112 S C 2.484 177.075 174.600 -0.016 0.000 1.021 1112 S CA 3.509 61.704 58.200 -0.009 0.000 0.974 1112 S CB -1.084 62.108 63.200 -0.014 0.000 0.800 1112 S HN -0.069 8.234 8.310 -0.012 0.000 0.484 1113 T N 6.247 120.792 114.554 -0.015 0.000 2.652 1113 T HA -0.277 nan 4.350 nan 0.000 0.267 1113 T C 2.172 176.830 174.700 -0.070 0.000 1.039 1113 T CA 4.782 66.837 62.100 -0.075 0.000 1.153 1113 T CB -0.526 68.268 68.868 -0.123 0.000 0.863 1113 T HN 0.438 8.565 8.240 0.006 0.116 0.428 1114 I N 1.567 122.136 120.570 -0.001 0.000 2.179 1114 I HA -0.459 nan 4.170 nan 0.000 0.242 1114 I C 1.402 177.527 176.117 0.014 0.000 1.088 1114 I CA 3.169 64.485 61.300 0.026 0.000 1.357 1114 I CB -1.218 36.831 38.000 0.081 0.000 1.051 1114 I HN 0.233 8.360 8.210 0.040 0.107 0.409 1115 R N 0.276 120.782 120.500 0.011 0.000 2.094 1115 R HA -0.495 nan 4.340 nan 0.000 0.239 1115 R C 2.109 178.407 176.300 -0.004 0.000 1.137 1115 R CA 4.116 60.220 56.100 0.006 0.000 0.943 1115 R CB -0.291 30.010 30.300 0.002 0.000 0.850 1115 R HN 0.137 8.353 8.270 0.013 0.061 0.433 1116 D N -1.149 119.241 120.400 -0.017 0.000 2.117 1116 D HA -0.274 nan 4.640 nan 0.000 0.197 1116 D C 2.102 178.388 176.300 -0.024 0.000 0.987 1116 D CA 3.307 57.293 54.000 -0.023 0.000 0.829 1116 D CB -0.408 40.370 40.800 -0.036 0.000 0.961 1116 D HN 0.225 8.469 8.370 -0.021 0.113 0.460 1117 A N 0.216 123.016 122.820 -0.034 0.000 1.883 1117 A HA -0.275 nan 4.320 nan 0.000 0.217 1117 A C 2.220 179.804 177.584 0.001 0.000 1.186 1117 A CA 3.180 55.200 52.037 -0.027 0.000 0.624 1117 A CB -0.618 18.359 19.000 -0.039 0.000 0.822 1117 A HN 0.078 8.201 8.150 -0.044 0.000 0.444 1118 I N -1.761 118.817 120.570 0.013 0.000 2.226 1118 I HA -0.572 nan 4.170 nan 0.000 0.245 1118 I C 1.751 177.879 176.117 0.018 0.000 1.100 1118 I CA 3.831 65.147 61.300 0.027 0.000 1.374 1118 I CB -0.343 37.677 38.000 0.034 0.000 1.057 1118 I HN 0.288 8.504 8.210 0.010 0.000 0.413 1119 A N -0.089 122.736 122.820 0.008 0.000 1.883 1119 A HA -0.381 nan 4.320 nan 0.000 0.217 1119 A C 1.880 179.467 177.584 0.004 0.000 1.186 1119 A CA 3.221 55.261 52.037 0.005 0.000 0.624 1119 A CB -0.915 18.084 19.000 -0.000 0.000 0.822 1119 A HN -0.149 8.004 8.150 0.005 0.000 0.444 1120 M N -0.834 118.765 119.600 -0.001 0.000 2.080 1120 M HA -0.491 nan 4.480 nan 0.000 0.260 1120 M C 2.078 178.379 176.300 0.002 0.000 1.068 1120 M CA 3.869 59.166 55.300 -0.004 0.000 1.109 1120 M CB 0.145 32.738 32.600 -0.011 0.000 1.342 1120 M HN -0.115 8.172 8.290 -0.005 0.000 0.405 1121 M N -1.958 117.647 119.600 0.009 0.000 2.159 1121 M HA -0.471 nan 4.480 nan 0.000 0.263 1121 M C 2.266 178.577 176.300 0.020 0.000 1.063 1121 M CA 4.072 59.382 55.300 0.016 0.000 1.110 1121 M CB -0.405 32.214 32.600 0.031 0.000 1.374 1121 M HN 0.117 8.412 8.290 0.009 0.000 0.411 1122 R N -1.314 119.198 120.500 0.021 0.000 2.092 1122 R HA -0.299 nan 4.340 nan 0.000 0.231 1122 R C 2.515 178.824 176.300 0.013 0.000 1.119 1122 R CA 4.020 60.133 56.100 0.021 0.000 0.970 1122 R CB -0.241 30.071 30.300 0.021 0.000 0.864 1122 R HN 0.312 8.594 8.270 0.020 0.000 0.440 1123 T N 3.373 117.932 114.554 0.008 0.000 2.674 1123 T HA -0.216 nan 4.350 nan 0.000 0.265 1123 T C 2.123 176.825 174.700 0.003 0.000 1.039 1123 T CA 5.019 67.122 62.100 0.005 0.000 1.150 1123 T CB -0.549 68.320 68.868 0.001 0.000 0.864 1123 T HN -0.373 7.783 8.240 0.008 0.088 0.427 1124 L N 0.472 121.696 121.223 0.002 0.000 2.017 1124 L HA -0.344 nan 4.340 nan 0.000 0.208 1124 L C 2.555 179.425 176.870 0.000 0.000 1.073 1124 L CA 3.330 58.169 54.840 -0.002 0.000 0.745 1124 L CB -0.451 41.605 42.059 -0.006 0.000 0.894 1124 L HN -0.038 8.193 8.230 0.002 0.000 0.432 1125 L N -2.485 118.741 121.223 0.006 0.000 2.265 1125 L HA -0.323 nan 4.340 nan 0.000 0.215 1125 L C 0.921 177.796 176.870 0.009 0.000 1.117 1125 L CA 2.399 57.245 54.840 0.009 0.000 0.782 1125 L CB -0.524 41.547 42.059 0.020 0.000 0.914 1125 L HN 0.202 8.437 8.230 0.009 0.000 0.441 1126 A N -4.599 118.227 122.820 0.009 0.000 2.206 1126 A HA -0.021 nan 4.320 nan 0.000 0.211 1126 A C 0.342 177.928 177.584 0.004 0.000 1.158 1126 A CA 0.559 52.601 52.037 0.008 0.000 0.761 1126 A CB 0.236 19.241 19.000 0.008 0.000 0.801 1126 A HN -0.481 7.534 8.150 0.009 0.140 0.473 1127 G N -2.607 106.194 108.800 0.002 0.000 2.136 1127 G HA2 -0.374 nan 3.960 nan 0.000 0.242 1127 G HA3 -0.374 nan 3.960 nan 0.000 0.242 1127 G C -0.350 174.550 174.900 -0.001 0.000 0.989 1127 G CA -0.035 45.065 45.100 -0.001 0.000 0.682 1127 G HN -0.195 7.899 8.290 0.002 0.197 0.522 1128 E N -0.281 119.919 120.200 -0.000 0.000 2.302 1128 E HA 0.177 nan 4.350 nan 0.000 0.255 1128 E C -1.495 175.104 176.600 -0.002 0.000 1.099 1128 E CA -1.839 54.560 56.400 -0.001 0.000 0.929 1128 E CB 2.081 31.782 29.700 0.001 0.000 1.203 1128 E HN -0.340 8.020 8.360 0.000 0.000 0.459 1129 K N -0.572 119.827 120.400 -0.002 0.000 2.206 1129 K HA 0.227 nan 4.320 nan 0.000 0.264 1129 K C 0.309 176.907 176.600 -0.004 0.000 0.967 1129 K CA -1.495 54.790 56.287 -0.004 0.000 0.844 1129 K CB 1.374 33.872 32.500 -0.004 0.000 1.099 1129 K HN 0.033 8.282 8.250 -0.002 0.000 0.441 1130 T N 3.345 117.896 114.554 -0.005 0.000 2.766 1130 T HA 0.127 nan 4.350 nan 0.000 0.295 1130 T C 1.594 176.291 174.700 -0.005 0.000 1.024 1130 T CA -1.252 60.845 62.100 -0.005 0.000 1.018 1130 T CB 1.528 70.392 68.868 -0.007 0.000 1.002 1130 T HN 0.553 8.790 8.240 -0.005 0.000 0.532 1131 E N 1.774 121.971 120.200 -0.005 0.000 2.153 1131 E HA -0.267 nan 4.350 nan 0.000 0.194 1131 E C 0.608 177.205 176.600 -0.005 0.000 0.988 1131 E CA 2.757 59.154 56.400 -0.005 0.000 0.811 1131 E CB -0.549 29.148 29.700 -0.005 0.000 0.746 1131 E HN 0.431 8.788 8.360 -0.006 0.000 0.466 1132 S N -3.718 111.978 115.700 -0.007 0.000 2.561 1132 S HA -0.098 nan 4.470 nan 0.000 0.225 1132 S C 0.628 175.224 174.600 -0.006 0.000 0.977 1132 S CA 0.340 58.535 58.200 -0.007 0.000 0.926 1132 S CB 0.515 63.710 63.200 -0.009 0.000 0.769 1132 S HN -0.502 7.767 8.310 -0.007 0.037 0.533 1133 G N 1.322 110.119 108.800 -0.006 0.000 2.213 1133 G HA2 -0.389 nan 3.960 nan 0.000 0.226 1133 G HA3 -0.389 nan 3.960 nan 0.000 0.226 1133 G C -0.875 174.022 174.900 -0.006 0.000 0.992 1133 G CA -0.233 44.863 45.100 -0.006 0.000 0.632 1133 G HN -0.346 7.749 8.290 -0.006 0.192 0.511 1134 A N 0.948 123.764 122.820 -0.008 0.000 2.477 1134 A HA -0.017 nan 4.320 nan 0.000 0.246 1134 A C -1.699 175.880 177.584 -0.008 0.000 1.078 1134 A CA 0.571 52.603 52.037 -0.009 0.000 0.770 1134 A CB 0.922 19.916 19.000 -0.010 0.000 1.011 1134 A HN -0.438 7.644 8.150 -0.008 0.063 0.494 1135 Q N 0.244 120.039 119.800 -0.009 0.000 2.403 1135 Q HA 0.306 nan 4.340 nan 0.000 0.267 1135 Q C -1.670 174.324 176.000 -0.010 0.000 0.991 1135 Q CA -0.840 54.958 55.803 -0.008 0.000 0.906 1135 Q CB 3.814 32.548 28.738 -0.007 0.000 1.422 1135 Q HN 0.028 8.292 8.270 -0.009 0.000 0.400 1136 L N 4.929 126.146 121.223 -0.011 0.000 2.426 1136 L HA 0.044 nan 4.340 nan 0.000 0.271 1136 L C -0.216 176.647 176.870 -0.011 0.000 1.169 1136 L CA 0.876 55.708 54.840 -0.014 0.000 0.836 1136 L CB 0.411 42.461 42.059 -0.015 0.000 1.112 1136 L HN 0.600 8.824 8.230 -0.010 0.000 0.465 1137 M N 2.498 122.091 119.600 -0.012 0.000 2.504 1137 M HA 0.082 nan 4.480 nan 0.000 0.222 1137 M C 0.862 177.156 176.300 -0.010 0.000 1.566 1137 M CA 0.780 56.074 55.300 -0.010 0.000 1.099 1137 M CB -0.201 32.393 32.600 -0.009 0.000 1.428 1137 M HN 0.010 8.292 8.290 -0.014 0.000 0.556 1138 G N -0.819 107.973 108.800 -0.012 0.000 3.141 1138 G HA2 -0.050 nan 3.960 nan 0.000 0.218 1138 G HA3 -0.050 nan 3.960 nan 0.000 0.218 1138 G C -0.988 173.904 174.900 -0.014 0.000 1.170 1138 G CA 0.158 45.250 45.100 -0.012 0.000 0.769 1138 G HN -0.289 7.993 8.290 -0.014 0.000 0.546 1139 V N -0.338 119.567 119.914 -0.016 0.000 2.888 1139 V HA 0.495 nan 4.120 nan 0.000 0.309 1139 V C -2.249 173.836 176.094 -0.015 0.000 1.114 1139 V CA -0.924 61.365 62.300 -0.018 0.000 0.940 1139 V CB 2.790 34.598 31.823 -0.026 0.000 1.021 1139 V HN -0.809 7.301 8.190 -0.016 0.071 0.426 1140 K N 5.399 125.792 120.400 -0.013 0.000 2.501 1140 K HA 0.328 nan 4.320 nan 0.000 0.252 1140 K C -1.609 174.987 176.600 -0.007 0.000 0.934 1140 K CA -1.026 55.256 56.287 -0.009 0.000 0.797 1140 K CB 3.986 36.482 32.500 -0.007 0.000 1.270 1140 K HN 0.968 9.696 8.250 -0.013 -0.485 0.431 1141 A N 3.588 126.405 122.820 -0.004 0.000 2.466 1141 A HA 0.067 nan 4.320 nan 0.000 0.238 1141 A C -0.787 176.797 177.584 0.000 0.000 1.074 1141 A CA 0.407 52.444 52.037 -0.000 0.000 0.774 1141 A CB 0.633 19.637 19.000 0.006 0.000 1.015 1141 A HN 0.224 8.372 8.150 -0.004 0.000 0.498 1142 V N 1.053 120.967 119.914 0.000 0.000 2.581 1142 V HA 0.038 nan 4.120 nan 0.000 0.240 1142 V C 0.617 176.713 176.094 0.003 0.000 1.054 1142 V CA 1.260 63.560 62.300 -0.001 0.000 1.076 1142 V CB 0.525 32.345 31.823 -0.005 0.000 0.748 1142 V HN 0.469 8.993 8.190 0.001 -0.333 0.474 1143 Q N -0.776 119.028 119.800 0.007 0.000 2.364 1143 Q HA -0.097 nan 4.340 nan 0.000 0.267 1143 Q C 0.195 176.204 176.000 0.015 0.000 0.999 1143 Q CA -0.001 55.809 55.803 0.012 0.000 0.886 1143 Q CB 0.768 29.518 28.738 0.020 0.000 1.243 1143 Q HN -0.358 8.286 8.270 0.006 -0.371 0.415 1144 E N 1.616 121.826 120.200 0.016 0.000 2.106 1144 E HA -0.187 nan 4.350 nan 0.000 0.192 1144 E C 0.059 176.671 176.600 0.021 0.000 0.984 1144 E CA 1.674 58.084 56.400 0.016 0.000 0.806 1144 E CB 0.316 30.025 29.700 0.015 0.000 0.750 1144 E HN 0.332 8.702 8.360 0.016 0.000 0.458 1145 K N -1.104 119.313 120.400 0.028 0.000 2.690 1145 K HA 0.208 nan 4.320 nan 0.000 0.243 1145 K C -1.556 175.075 176.600 0.052 0.000 0.982 1145 K CA -1.085 55.224 56.287 0.036 0.000 0.955 1145 K CB 0.744 33.264 32.500 0.033 0.000 1.185 1145 K HN -0.465 7.803 8.250 0.029 0.000 0.467 1146 I N 5.988 126.592 120.570 0.057 0.000 2.618 1146 I HA 0.056 nan 4.170 nan 0.000 0.284 1146 I C -1.501 174.686 176.117 0.116 0.000 1.146 1146 I CA -2.631 58.717 61.300 0.080 0.000 1.425 1146 I CB 0.291 38.334 38.000 0.073 0.000 1.383 1146 I HN 0.170 8.409 8.210 0.049 0.000 0.562 1147 P HA 0.050 nan 4.420 nan 0.000 0.271 1147 P C -1.752 175.732 177.300 0.307 0.000 1.220 1147 P CA 0.157 63.394 63.100 0.229 0.000 0.768 1147 P CB 0.084 32.009 31.700 0.375 0.000 0.848 1148 I N 3.499 124.198 120.570 0.216 0.000 2.382 1148 I HA 0.377 nan 4.170 nan 0.000 0.286 1148 I C -1.313 174.942 176.117 0.231 0.000 1.002 1148 I CA -0.696 60.755 61.300 0.251 0.000 1.135 1148 I CB 1.982 40.068 38.000 0.145 0.000 1.288 1148 I HN 0.452 9.107 8.210 0.114 -0.377 0.448 1149 Y N 6.630 127.017 120.300 0.146 0.000 2.342 1149 Y HA 0.523 nan 4.550 nan 0.000 0.334 1149 Y C -1.198 174.725 175.900 0.039 0.000 1.067 1149 Y CA -1.764 56.381 58.100 0.075 0.000 1.128 1149 Y CB 2.171 40.648 38.460 0.028 0.000 1.200 1149 Y HN 1.004 9.561 8.280 0.650 0.113 0.464 1150 M N 2.515 122.200 119.600 0.141 0.000 2.336 1150 M HA 0.406 nan 4.480 nan 0.000 0.342 1150 M C -0.155 176.192 176.300 0.078 0.000 1.128 1150 M CA -0.895 54.466 55.300 0.102 0.000 1.016 1150 M CB 2.996 35.638 32.600 0.070 0.000 1.665 1150 M HN 0.640 8.982 8.290 0.088 0.000 0.445 1151 G N 1.322 110.170 108.800 0.080 0.000 2.364 1151 G HA2 0.199 nan 3.960 nan 0.000 0.267 1151 G HA3 0.199 nan 3.960 nan 0.000 0.267 1151 G C -1.860 173.079 174.900 0.065 0.000 1.233 1151 G CA -0.536 44.604 45.100 0.066 0.000 0.885 1151 G HN 0.305 8.547 8.290 0.100 0.108 0.490 1152 A N 6.432 129.277 122.820 0.042 0.000 2.411 1152 A HA 0.321 nan 4.320 nan 0.000 0.285 1152 A C -0.955 176.630 177.584 0.000 0.000 1.129 1152 A CA -0.373 51.681 52.037 0.027 0.000 0.736 1152 A CB 1.547 20.557 19.000 0.017 0.000 1.186 1152 A HN -0.252 7.919 8.150 0.035 0.000 0.445 1153 Q N 1.773 121.574 119.800 0.002 0.000 2.189 1153 Q HA 0.118 nan 4.340 nan 0.000 0.223 1153 Q C -0.063 175.917 176.000 -0.034 0.000 0.828 1153 Q CA -0.735 55.053 55.803 -0.026 0.000 0.967 1153 Q CB 1.132 29.861 28.738 -0.015 0.000 1.139 1153 Q HN 0.403 8.687 8.270 0.023 0.000 0.497 1154 G N -1.254 107.534 108.800 -0.020 0.000 2.680 1154 G HA2 0.483 nan 3.960 nan 0.000 0.290 1154 G HA3 0.483 nan 3.960 nan 0.000 0.290 1154 G C -1.892 172.993 174.900 -0.024 0.000 1.355 1154 G CA -1.796 43.289 45.100 -0.025 0.000 0.903 1154 G HN -0.747 7.468 8.290 -0.009 0.069 0.474 1155 P HA -0.265 nan 4.420 nan 0.000 0.214 1155 P C 1.461 178.752 177.300 -0.016 0.000 1.163 1155 P CA 2.640 65.726 63.100 -0.023 0.000 0.889 1155 P CB 0.565 32.251 31.700 -0.024 0.000 0.790 1156 M N -2.130 117.461 119.600 -0.014 0.000 2.080 1156 M HA -0.167 nan 4.480 nan 0.000 0.260 1156 M C 2.403 178.702 176.300 -0.002 0.000 1.068 1156 M CA 2.766 58.060 55.300 -0.010 0.000 1.109 1156 M CB -1.222 31.369 32.600 -0.014 0.000 1.342 1156 M HN 0.039 8.319 8.290 -0.018 0.000 0.405 1157 M N -1.505 118.098 119.600 0.004 0.000 2.159 1157 M HA -0.283 nan 4.480 nan 0.000 0.263 1157 M C 2.932 179.239 176.300 0.011 0.000 1.063 1157 M CA 2.586 57.897 55.300 0.018 0.000 1.110 1157 M CB -1.615 31.004 32.600 0.032 0.000 1.374 1157 M HN -0.066 8.225 8.290 0.002 0.000 0.411 1158 L N -0.204 121.018 121.223 -0.000 0.000 2.017 1158 L HA -0.468 nan 4.340 nan 0.000 0.208 1158 L C 2.103 178.971 176.870 -0.003 0.000 1.073 1158 L CA 3.415 58.253 54.840 -0.004 0.000 0.745 1158 L CB -0.737 41.313 42.059 -0.015 0.000 0.894 1158 L HN 0.380 8.606 8.230 -0.005 0.000 0.432 1159 K N -1.311 119.086 120.400 -0.004 0.000 2.009 1159 K HA -0.328 nan 4.320 nan 0.000 0.210 1159 K C 2.771 179.370 176.600 -0.001 0.000 1.049 1159 K CA 3.018 59.302 56.287 -0.004 0.000 0.929 1159 K CB -0.921 31.576 32.500 -0.006 0.000 0.714 1159 K HN 0.255 8.501 8.250 -0.006 0.000 0.440 1160 T N 1.708 116.263 114.554 0.002 0.000 2.720 1160 T HA -0.251 nan 4.350 nan 0.000 0.268 1160 T C 1.881 176.585 174.700 0.006 0.000 1.037 1160 T CA 4.556 66.660 62.100 0.005 0.000 1.144 1160 T CB -0.654 68.221 68.868 0.012 0.000 0.864 1160 T HN 0.381 8.511 8.240 0.002 0.111 0.444 1161 A N 0.727 123.551 122.820 0.007 0.000 1.940 1161 A HA -0.233 nan 4.320 nan 0.000 0.219 1161 A C 2.310 179.887 177.584 -0.012 0.000 1.176 1161 A CA 2.905 54.943 52.037 0.001 0.000 0.631 1161 A CB -0.894 18.108 19.000 0.004 0.000 0.814 1161 A HN 0.480 8.430 8.150 0.008 0.205 0.446 1162 G N -1.591 107.203 108.800 -0.009 0.000 2.402 1162 G HA2 -0.328 nan 3.960 nan 0.000 0.216 1162 G HA3 -0.328 nan 3.960 nan 0.000 0.216 1162 G C 1.472 176.366 174.900 -0.011 0.000 1.162 1162 G CA 1.656 46.748 45.100 -0.012 0.000 0.777 1162 G HN 0.058 8.256 8.290 -0.005 0.089 0.539 1163 E N 1.983 122.179 120.200 -0.006 0.000 2.047 1163 E HA -0.249 nan 4.350 nan 0.000 0.191 1163 E C 2.243 178.840 176.600 -0.004 0.000 0.987 1163 E CA 2.758 59.156 56.400 -0.004 0.000 0.799 1163 E CB 0.365 30.064 29.700 -0.002 0.000 0.752 1163 E HN -0.130 8.123 8.360 -0.004 0.105 0.449 1164 I N -9.795 110.774 120.570 -0.002 0.000 4.327 1164 I HA 0.331 nan 4.170 nan 0.000 0.331 1164 I C -0.860 175.257 176.117 -0.000 0.000 1.348 1164 I CA -0.694 60.606 61.300 0.001 0.000 1.152 1164 I CB 1.846 39.851 38.000 0.008 0.000 1.151 1164 I HN 0.140 8.350 8.210 -0.001 0.000 0.410 1165 S N 1.236 116.929 115.700 -0.012 0.000 2.758 1165 S HA 0.402 nan 4.470 nan 0.000 0.292 1165 S C -0.343 174.213 174.600 -0.073 0.000 1.131 1165 S CA -0.716 57.468 58.200 -0.027 0.000 0.997 1165 S CB 2.999 66.184 63.200 -0.025 0.000 1.111 1165 S HN -0.387 7.812 8.310 -0.013 0.103 0.552 1166 D N -1.330 118.987 120.400 -0.139 0.000 2.398 1166 D HA 0.317 nan 4.640 nan 0.000 0.210 1166 D C -0.489 175.538 176.300 -0.454 0.000 1.094 1166 D CA 0.624 54.498 54.000 -0.211 0.000 0.839 1166 D CB 1.716 42.427 40.800 -0.149 0.000 0.963 1166 D HN 0.460 8.654 8.370 -0.122 0.103 0.506 1167 G N -2.802 105.699 108.800 -0.499 0.000 2.411 1167 G HA2 0.196 nan 3.960 nan 0.000 0.295 1167 G HA3 0.196 nan 3.960 nan 0.000 0.295 1167 G C -3.456 171.302 174.900 -0.237 0.000 1.542 1167 G CA 0.625 45.356 45.100 -0.616 0.000 0.814 1167 G HN -0.770 7.274 8.290 -0.294 0.070 0.557 1168 A N -0.266 122.521 122.820 -0.054 0.000 2.343 1168 A HA 0.948 nan 4.320 nan 0.000 0.308 1168 A C -2.131 175.487 177.584 0.056 0.000 1.092 1168 A CA -1.871 50.184 52.037 0.030 0.000 0.751 1168 A CB 2.892 21.903 19.000 0.019 0.000 1.203 1168 A HN 0.745 8.861 8.150 -0.056 0.000 0.452 1169 L N 4.067 125.295 121.223 0.009 0.000 2.264 1169 L HA 0.600 nan 4.340 nan 0.000 0.287 1169 L C -1.174 175.717 176.870 0.036 0.000 1.039 1169 L CA -0.867 53.913 54.840 -0.099 0.000 0.829 1169 L CB 0.686 42.560 42.059 -0.309 0.000 1.211 1169 L HN 0.467 8.603 8.230 0.026 0.109 0.427 1170 I N 4.718 125.340 120.570 0.086 0.000 2.339 1170 I HA 0.077 nan 4.170 nan 0.000 0.290 1170 I C -1.069 175.107 176.117 0.098 0.000 0.994 1170 I CA -1.173 60.163 61.300 0.059 0.000 1.191 1170 I CB 1.335 39.326 38.000 -0.015 0.000 1.343 1170 I HN 0.887 9.162 8.210 0.109 0.000 0.458 1171 N N 9.316 128.032 118.700 0.027 0.000 2.671 1171 N HA -0.023 nan 4.740 nan 0.000 0.274 1171 N C -1.689 173.821 175.510 -0.000 0.000 1.188 1171 N CA -0.156 52.894 53.050 -0.001 0.000 1.065 1171 N CB -1.536 36.899 38.487 -0.086 0.000 1.415 1171 N HN 0.342 9.079 8.380 -0.002 -0.358 0.511 1172 A N 1.606 124.475 122.820 0.081 0.000 2.604 1172 A HA 0.323 nan 4.320 nan 0.000 0.295 1172 A C -1.739 176.038 177.584 0.322 0.000 1.067 1172 A CA -0.250 51.849 52.037 0.103 0.000 0.683 1172 A CB 2.600 21.473 19.000 -0.211 0.000 1.281 1172 A HN -0.356 7.868 8.150 0.178 0.033 0.407 1173 S N -1.171 114.702 115.700 0.289 0.000 2.733 1173 S HA 0.195 nan 4.470 nan 0.000 0.247 1173 S C -0.560 174.189 174.600 0.249 0.000 1.043 1173 S CA 0.154 58.519 58.200 0.276 0.000 1.066 1173 S CB 2.144 65.442 63.200 0.164 0.000 1.045 1173 S HN 0.532 8.973 8.310 0.219 0.000 0.586 1174 N N 1.912 120.776 118.700 0.273 0.000 2.361 1174 N HA 0.454 nan 4.740 nan 0.000 0.302 1174 N C -1.808 173.916 175.510 0.356 0.000 1.074 1174 N CA -2.968 50.216 53.050 0.224 0.000 0.850 1174 N CB 2.330 40.906 38.487 0.148 0.000 1.228 1174 N HN -1.046 7.664 8.380 0.272 -0.167 0.491 1175 P HA -0.314 nan 4.420 nan 0.000 0.216 1175 P C 0.626 178.064 177.300 0.230 0.000 1.150 1175 P CA 2.381 65.623 63.100 0.235 0.000 0.843 1175 P CB 0.440 32.206 31.700 0.110 0.000 0.787 1176 K N -3.263 117.233 120.400 0.161 0.000 2.152 1176 K HA -0.365 nan 4.320 nan 0.000 0.206 1176 K C 2.396 179.011 176.600 0.024 0.000 1.048 1176 K CA 3.454 59.771 56.287 0.050 0.000 0.933 1176 K CB -0.405 32.051 32.500 -0.073 0.000 0.721 1176 K HN 0.149 8.868 8.250 0.181 -0.361 0.447 1177 D N -0.547 119.897 120.400 0.074 0.000 2.117 1177 D HA -0.206 nan 4.640 nan 0.000 0.198 1177 D C 2.246 178.410 176.300 -0.228 0.000 0.982 1177 D CA 3.467 57.405 54.000 -0.102 0.000 0.828 1177 D CB -0.232 40.459 40.800 -0.181 0.000 0.967 1177 D HN -0.215 8.147 8.370 0.202 0.129 0.464 1178 F N -1.660 118.309 119.950 0.032 0.000 2.558 1178 F HA -0.081 nan 4.527 nan 0.000 0.298 1178 F C 2.170 177.974 175.800 0.007 0.000 1.119 1178 F CA 2.198 60.209 58.000 0.018 0.000 1.451 1178 F CB -0.312 38.699 39.000 0.020 0.000 1.091 1178 F HN -0.908 7.620 8.300 0.381 0.000 0.563 1179 E N 1.077 121.359 120.200 0.136 0.000 2.106 1179 E HA -0.292 nan 4.350 nan 0.000 0.192 1179 E C 0.945 177.561 176.600 0.027 0.000 0.984 1179 E CA 2.656 59.100 56.400 0.073 0.000 0.806 1179 E CB -0.142 29.585 29.700 0.045 0.000 0.750 1179 E HN -0.301 7.980 8.360 0.138 0.161 0.458 1180 A N -2.086 120.729 122.820 -0.009 0.000 1.935 1180 A HA -0.065 nan 4.320 nan 0.000 0.214 1180 A C 1.523 179.084 177.584 -0.037 0.000 1.178 1180 A CA 2.050 54.066 52.037 -0.034 0.000 0.640 1180 A CB -0.056 18.907 19.000 -0.062 0.000 0.825 1180 A HN -0.547 7.587 8.150 -0.018 0.006 0.447 1181 A N -1.447 121.338 122.820 -0.059 0.000 1.855 1181 A HA -0.143 nan 4.320 nan 0.000 0.213 1181 A C 1.936 179.518 177.584 -0.003 0.000 1.195 1181 A CA 2.793 54.793 52.037 -0.061 0.000 0.610 1181 A CB -0.401 18.506 19.000 -0.155 0.000 0.837 1181 A HN -0.231 7.795 8.150 -0.076 0.077 0.444 1182 V N -0.878 119.064 119.914 0.047 0.000 2.324 1182 V HA -0.357 nan 4.120 nan 0.000 0.250 1182 V C -0.649 175.464 176.094 0.031 0.000 1.060 1182 V CA 5.766 68.103 62.300 0.061 0.000 1.042 1182 V CB -2.748 29.131 31.823 0.093 0.000 0.650 1182 V HN -0.208 8.025 8.190 0.072 0.000 0.450 1183 P HA -0.197 nan 4.420 nan 0.000 0.216 1183 P C 1.421 178.723 177.300 0.004 0.000 1.150 1183 P CA 3.341 66.448 63.100 0.011 0.000 0.837 1183 P CB -0.531 31.173 31.700 0.007 0.000 0.786 1184 L N -3.809 117.413 121.223 -0.001 0.000 2.093 1184 L HA -0.309 nan 4.340 nan 0.000 0.208 1184 L C 2.084 178.952 176.870 -0.003 0.000 1.085 1184 L CA 2.924 57.761 54.840 -0.006 0.000 0.755 1184 L CB -0.587 41.464 42.059 -0.014 0.000 0.904 1184 L HN -0.533 7.593 8.230 -0.002 0.102 0.435 1185 I N -1.430 119.141 120.570 0.002 0.000 2.252 1185 I HA -0.519 nan 4.170 nan 0.000 0.245 1185 I C 1.885 178.003 176.117 0.002 0.000 1.102 1185 I CA 3.853 65.154 61.300 0.003 0.000 1.385 1185 I CB -0.494 37.513 38.000 0.011 0.000 1.064 1185 I HN -0.979 7.102 8.210 0.006 0.133 0.414 1186 K N 0.243 120.647 120.400 0.006 0.000 2.026 1186 K HA -0.447 nan 4.320 nan 0.000 0.208 1186 K C 1.700 178.301 176.600 0.002 0.000 1.048 1186 K CA 3.996 60.286 56.287 0.005 0.000 0.929 1186 K CB -0.358 32.147 32.500 0.008 0.000 0.713 1186 K HN 0.240 8.404 8.250 0.009 0.091 0.439 1187 E N -1.357 118.843 120.200 0.001 0.000 2.085 1187 E HA -0.339 nan 4.350 nan 0.000 0.194 1187 E C 2.428 179.026 176.600 -0.002 0.000 0.994 1187 E CA 3.008 59.408 56.400 -0.001 0.000 0.801 1187 E CB -0.251 29.448 29.700 -0.003 0.000 0.743 1187 E HN -0.049 8.312 8.360 0.001 0.000 0.453 1188 G N -2.167 106.631 108.800 -0.003 0.000 2.402 1188 G HA2 -0.270 nan 3.960 nan 0.000 0.216 1188 G HA3 -0.270 nan 3.960 nan 0.000 0.216 1188 G C 0.886 175.784 174.900 -0.004 0.000 1.162 1188 G CA 1.615 46.713 45.100 -0.003 0.000 0.777 1188 G HN -0.307 7.981 8.290 -0.003 0.000 0.539 1189 A N 1.702 124.520 122.820 -0.004 0.000 1.877 1189 A HA -0.274 nan 4.320 nan 0.000 0.216 1189 A C 2.084 179.666 177.584 -0.003 0.000 1.186 1189 A CA 2.931 54.965 52.037 -0.005 0.000 0.620 1189 A CB -0.691 18.306 19.000 -0.006 0.000 0.822 1189 A HN 0.082 8.229 8.150 -0.004 0.000 0.443 1190 E N -1.174 119.025 120.200 -0.002 0.000 2.085 1190 E HA -0.412 nan 4.350 nan 0.000 0.194 1190 E C 2.942 179.541 176.600 -0.001 0.000 0.994 1190 E CA 2.842 59.242 56.400 -0.001 0.000 0.801 1190 E CB -0.166 29.534 29.700 0.000 0.000 0.743 1190 E HN 0.204 8.563 8.360 -0.001 0.000 0.453 1191 A N -0.443 122.376 122.820 -0.002 0.000 2.024 1191 A HA -0.180 nan 4.320 nan 0.000 0.220 1191 A C 0.916 178.499 177.584 -0.002 0.000 1.164 1191 A CA 2.572 54.608 52.037 -0.002 0.000 0.643 1191 A CB -0.549 18.450 19.000 -0.003 0.000 0.806 1191 A HN -0.275 7.873 8.150 -0.002 0.000 0.451 1192 A N -4.534 118.285 122.820 -0.002 0.000 2.345 1192 A HA 0.114 nan 4.320 nan 0.000 0.225 1192 A C -0.122 177.461 177.584 -0.001 0.000 1.243 1192 A CA -0.474 51.562 52.037 -0.002 0.000 0.875 1192 A CB 0.228 19.226 19.000 -0.002 0.000 0.929 1192 A HN -0.387 7.668 8.150 -0.002 0.093 0.502 1193 G N -1.674 107.126 108.800 -0.001 0.000 2.143 1193 G HA2 -0.422 nan 3.960 nan 0.000 0.248 1193 G HA3 -0.422 nan 3.960 nan 0.000 0.248 1193 G C -0.718 174.182 174.900 -0.000 0.000 0.991 1193 G CA 0.324 45.424 45.100 -0.000 0.000 0.689 1193 G HN -0.000 8.057 8.290 -0.001 0.232 0.522 1194 K N -0.986 119.413 120.400 -0.001 0.000 2.245 1194 K HA 0.407 nan 4.320 nan 0.000 0.234 1194 K C -1.376 175.223 176.600 -0.002 0.000 1.021 1194 K CA -1.513 54.773 56.287 -0.002 0.000 0.898 1194 K CB 1.930 34.427 32.500 -0.005 0.000 1.163 1194 K HN 0.012 8.133 8.250 -0.002 0.128 0.459 1195 S N -0.291 115.408 115.700 -0.002 0.000 2.537 1195 S HA 0.239 nan 4.470 nan 0.000 0.301 1195 S C 0.963 175.561 174.600 -0.002 0.000 1.092 1195 S CA -2.159 56.041 58.200 -0.000 0.000 1.048 1195 S CB 2.066 65.268 63.200 0.002 0.000 1.053 1195 S HN 0.658 9.353 8.310 -0.002 -0.387 0.501 1196 I N 6.610 127.180 120.570 0.000 0.000 2.700 1196 I HA -0.245 nan 4.170 nan 0.000 0.261 1196 I C 0.196 176.313 176.117 -0.001 0.000 1.219 1196 I CA 1.029 62.329 61.300 0.000 0.000 1.463 1196 I CB -0.033 37.971 38.000 0.007 0.000 1.092 1196 I HN 0.766 8.977 8.210 0.002 0.000 0.452 1197 A N -0.235 122.586 122.820 0.002 0.000 2.168 1197 A HA -0.164 nan 4.320 nan 0.000 0.215 1197 A C 0.803 178.387 177.584 0.000 0.000 1.152 1197 A CA 2.241 54.281 52.037 0.005 0.000 0.716 1197 A CB -0.650 18.355 19.000 0.009 0.000 0.794 1197 A HN -0.252 7.808 8.150 0.003 0.092 0.465 1198 D N -3.521 116.875 120.400 -0.007 0.000 2.354 1198 D HA 0.037 nan 4.640 nan 0.000 0.209 1198 D C -0.537 175.740 176.300 -0.039 0.000 1.015 1198 D CA 1.267 55.258 54.000 -0.015 0.000 0.867 1198 D CB 1.236 42.028 40.800 -0.013 0.000 0.933 1198 D HN 0.148 8.294 8.370 -0.007 0.219 0.520 1199 I N -0.234 120.310 120.570 -0.043 0.000 2.321 1199 I HA -0.032 nan 4.170 nan 0.000 0.291 1199 I C -1.618 174.452 176.117 -0.078 0.000 0.998 1199 I CA -1.764 59.488 61.300 -0.080 0.000 1.227 1199 I CB 0.844 38.808 38.000 -0.060 0.000 1.368 1199 I HN -0.795 7.255 8.210 -0.027 0.144 0.466 1200 D N 8.915 129.231 120.400 -0.141 0.000 2.338 1200 D HA 0.005 nan 4.640 nan 0.000 0.255 1200 D C -0.596 175.675 176.300 -0.048 0.000 1.237 1200 D CA -0.139 53.813 54.000 -0.079 0.000 0.883 1200 D CB 0.650 41.415 40.800 -0.059 0.000 1.087 1200 D HN 0.000 8.121 8.370 -0.237 0.107 0.485 1201 V N 6.840 126.748 119.914 -0.011 0.000 2.356 1201 V HA 0.226 nan 4.120 nan 0.000 0.258 1201 V C -1.245 174.853 176.094 0.005 0.000 1.065 1201 V CA -0.575 61.743 62.300 0.029 0.000 0.935 1201 V CB -0.290 31.569 31.823 0.060 0.000 1.061 1201 V HN 0.146 8.327 8.190 -0.015 0.000 0.484 1202 A N 8.270 131.104 122.820 0.022 0.000 2.260 1202 A HA 0.717 nan 4.320 nan 0.000 0.314 1202 A C -2.020 175.554 177.584 -0.016 0.000 1.257 1202 A CA -2.401 49.589 52.037 -0.078 0.000 0.871 1202 A CB 2.472 21.364 19.000 -0.180 0.000 1.166 1202 A HN 0.978 9.160 8.150 0.054 0.000 0.522 1203 A N 5.418 128.183 122.820 -0.092 0.000 2.376 1203 A HA 0.269 nan 4.320 nan 0.000 0.298 1203 A C -1.653 175.920 177.584 -0.017 0.000 1.271 1203 A CA -1.266 50.810 52.037 0.066 0.000 0.926 1203 A CB 0.347 19.208 19.000 -0.231 0.000 1.141 1203 A HN 0.769 8.794 8.150 -0.209 0.000 0.539 1204 Y N 8.694 128.957 120.300 -0.061 0.000 2.632 1204 Y HA 0.001 nan 4.550 nan 0.000 0.336 1204 Y C -1.272 174.572 175.900 -0.093 0.000 1.237 1204 Y CA -1.993 56.008 58.100 -0.166 0.000 1.595 1204 Y CB -1.421 36.928 38.460 -0.184 0.000 1.508 1204 Y HN 0.152 8.490 8.280 0.263 0.099 0.480 1205 T N 0.616 115.212 114.554 0.069 0.000 2.918 1205 T HA 0.127 nan 4.350 nan 0.000 0.283 1205 T C -1.306 173.419 174.700 0.043 0.000 1.001 1205 T CA -2.093 60.042 62.100 0.058 0.000 1.041 1205 T CB 2.533 71.443 68.868 0.070 0.000 1.028 1205 T HN -0.501 7.669 8.240 -0.068 0.029 0.511 1206 C N 3.817 123.156 119.300 0.066 0.000 2.349 1206 C HA 0.444 nan 4.460 nan 0.000 0.348 1206 C C -1.301 173.764 174.990 0.126 0.000 1.223 1206 C CA -1.734 57.318 59.018 0.056 0.000 1.746 1206 C CB -1.534 26.238 27.740 0.054 0.000 2.360 1206 C HN 0.036 8.320 8.230 0.090 0.000 0.533 1207 C N 9.477 128.872 119.300 0.158 0.000 2.417 1207 C HA 0.748 nan 4.460 nan 0.000 0.324 1207 C C -2.481 172.670 174.990 0.267 0.000 1.240 1207 C CA -1.922 57.277 59.018 0.303 0.000 1.632 1207 C CB 2.237 30.223 27.740 0.411 0.000 2.241 1207 C HN 0.348 8.530 8.230 0.102 0.110 0.499 1208 S N 6.703 122.628 115.700 0.375 0.000 2.609 1208 S HA 0.482 nan 4.470 nan 0.000 0.250 1208 S C -2.318 172.502 174.600 0.366 0.000 1.112 1208 S CA -0.105 58.255 58.200 0.267 0.000 1.102 1208 S CB 1.083 64.388 63.200 0.174 0.000 1.124 1208 S HN 0.274 8.913 8.310 0.549 0.000 0.460 1209 I N 5.453 126.142 120.570 0.199 0.000 2.530 1209 I HA 0.825 nan 4.170 nan 0.000 0.297 1209 I C -3.190 172.943 176.117 0.026 0.000 1.011 1209 I CA -1.794 59.532 61.300 0.044 0.000 1.107 1209 I CB 3.029 40.731 38.000 -0.496 0.000 1.285 1209 I HN 0.446 8.731 8.210 0.125 0.000 0.436 1210 D N 7.432 127.860 120.400 0.046 0.000 2.683 1210 D HA 0.066 nan 4.640 nan 0.000 0.246 1210 D C -1.370 174.956 176.300 0.042 0.000 1.238 1210 D CA -0.938 53.084 54.000 0.036 0.000 0.759 1210 D CB 2.700 43.531 40.800 0.052 0.000 1.349 1210 D HN 0.338 8.762 8.370 0.090 0.000 0.426 1211 E N -0.496 119.721 120.200 0.029 0.000 2.085 1211 E HA -0.272 nan 4.350 nan 0.000 0.194 1211 E C 0.242 176.866 176.600 0.041 0.000 0.994 1211 E CA 1.720 58.138 56.400 0.030 0.000 0.801 1211 E CB 0.220 29.933 29.700 0.021 0.000 0.743 1211 E HN 0.217 8.591 8.360 0.022 0.000 0.453 1212 D N -0.267 120.159 120.400 0.042 0.000 2.411 1212 D HA 0.081 nan 4.640 nan 0.000 0.225 1212 D C -0.177 176.158 176.300 0.059 0.000 1.156 1212 D CA -1.007 53.020 54.000 0.045 0.000 0.874 1212 D CB 0.791 41.614 40.800 0.038 0.000 1.034 1212 D HN -0.026 8.805 8.370 0.040 -0.438 0.502 1213 A N 6.642 129.500 122.820 0.064 0.000 1.978 1213 A HA -0.302 nan 4.320 nan 0.000 0.220 1213 A C 1.182 178.807 177.584 0.069 0.000 1.170 1213 A CA 3.001 55.084 52.037 0.077 0.000 0.636 1213 A CB -0.428 18.614 19.000 0.070 0.000 0.810 1213 A HN 0.522 8.707 8.150 0.058 0.000 0.448 1214 A N -1.913 120.940 122.820 0.055 0.000 1.855 1214 A HA -0.248 nan 4.320 nan 0.000 0.215 1214 A C 1.728 179.344 177.584 0.053 0.000 1.191 1214 A CA 2.640 54.707 52.037 0.050 0.000 0.613 1214 A CB -0.758 18.266 19.000 0.041 0.000 0.829 1214 A HN -0.059 8.182 8.150 0.050 -0.062 0.442 1215 A N -1.732 121.119 122.820 0.051 0.000 1.908 1215 A HA -0.338 nan 4.320 nan 0.000 0.218 1215 A C 1.916 179.538 177.584 0.062 0.000 1.181 1215 A CA 2.876 54.944 52.037 0.050 0.000 0.627 1215 A CB -0.673 18.354 19.000 0.044 0.000 0.818 1215 A HN 0.304 8.955 8.150 0.049 -0.472 0.445 1216 A N -2.347 120.518 122.820 0.076 0.000 1.865 1216 A HA -0.340 nan 4.320 nan 0.000 0.217 1216 A C 1.883 179.525 177.584 0.097 0.000 1.191 1216 A CA 2.868 54.965 52.037 0.100 0.000 0.623 1216 A CB -0.677 18.405 19.000 0.137 0.000 0.826 1216 A HN -0.096 8.097 8.150 0.075 0.002 0.444 1217 A N -2.119 120.753 122.820 0.086 0.000 1.908 1217 A HA -0.394 nan 4.320 nan 0.000 0.218 1217 A C 2.100 179.727 177.584 0.072 0.000 1.181 1217 A CA 3.087 55.170 52.037 0.076 0.000 0.627 1217 A CB -0.716 18.323 19.000 0.064 0.000 0.818 1217 A HN -0.268 7.932 8.150 0.083 0.000 0.445 1218 N N -2.057 116.683 118.700 0.066 0.000 2.149 1218 N HA -0.361 nan 4.740 nan 0.000 0.188 1218 N C 1.957 177.506 175.510 0.065 0.000 1.019 1218 N CA 3.058 56.146 53.050 0.063 0.000 0.857 1218 N CB -0.323 38.197 38.487 0.054 0.000 0.997 1218 N HN -0.171 8.247 8.380 0.063 0.000 0.426 1219 A N -2.642 120.215 122.820 0.063 0.000 2.067 1219 A HA -0.065 nan 4.320 nan 0.000 0.219 1219 A C 0.590 178.211 177.584 0.061 0.000 1.158 1219 A CA 2.144 54.215 52.037 0.057 0.000 0.661 1219 A CB -0.397 18.635 19.000 0.053 0.000 0.801 1219 A HN -0.567 7.596 8.150 0.066 0.026 0.452 1220 A N -3.106 119.757 122.820 0.073 0.000 2.147 1220 A HA 0.053 nan 4.320 nan 0.000 0.211 1220 A C 1.513 179.146 177.584 0.080 0.000 1.160 1220 A CA 1.412 53.493 52.037 0.074 0.000 0.781 1220 A CB -0.019 19.032 19.000 0.085 0.000 0.842 1220 A HN -0.527 7.533 8.150 0.077 0.137 0.475 1221 K N 0.092 120.544 120.400 0.088 0.000 2.044 1221 K HA -0.404 nan 4.320 nan 0.000 0.210 1221 K C 1.999 178.677 176.600 0.131 0.000 1.049 1221 K CA 3.498 59.847 56.287 0.103 0.000 0.927 1221 K CB -0.411 32.154 32.500 0.108 0.000 0.713 1221 K HN -0.620 7.679 8.250 0.083 0.000 0.443 1222 I N -2.005 118.656 120.570 0.152 0.000 2.286 1222 I HA -0.347 nan 4.170 nan 0.000 0.248 1222 I C 1.322 177.611 176.117 0.287 0.000 1.115 1222 I CA 2.668 64.111 61.300 0.238 0.000 1.392 1222 I CB -0.156 37.975 38.000 0.219 0.000 1.065 1222 I HN -0.032 8.253 8.210 0.125 0.000 0.418 1223 V N -0.217 119.789 119.914 0.153 0.000 2.307 1223 V HA -0.410 nan 4.120 nan 0.000 0.245 1223 V C 2.130 178.281 176.094 0.096 0.000 1.045 1223 V CA 4.032 66.392 62.300 0.100 0.000 1.024 1223 V CB -0.886 30.948 31.823 0.018 0.000 0.651 1223 V HN -0.772 7.474 8.190 0.107 0.008 0.449 1224 V N -0.771 119.180 119.914 0.061 0.000 2.392 1224 V HA -0.475 nan 4.120 nan 0.000 0.249 1224 V C 1.588 177.600 176.094 -0.137 0.000 1.059 1224 V CA 4.361 66.659 62.300 -0.004 0.000 1.051 1224 V CB -1.680 30.171 31.823 0.047 0.000 0.658 1224 V HN -0.019 8.217 8.190 0.076 0.000 0.455 1225 A N 0.266 123.046 122.820 -0.067 0.000 1.873 1225 A HA -0.337 nan 4.320 nan 0.000 0.218 1225 A C 1.751 179.208 177.584 -0.213 0.000 1.193 1225 A CA 3.417 55.340 52.037 -0.191 0.000 0.629 1225 A CB -0.871 18.189 19.000 0.100 0.000 0.826 1225 A HN 0.035 8.124 8.150 0.058 0.095 0.447 1226 F N -2.405 117.490 119.950 -0.092 0.000 2.171 1226 F HA -0.349 nan 4.527 nan 0.000 0.300 1226 F C 2.188 177.871 175.800 -0.195 0.000 1.090 1226 F CA 4.145 62.088 58.000 -0.095 0.000 1.293 1226 F CB -0.221 38.740 39.000 -0.065 0.000 1.013 1226 F HN -0.723 7.805 8.300 0.380 0.000 0.486 1227 I N -0.704 119.804 120.570 -0.103 0.000 2.127 1227 I HA -0.670 nan 4.170 nan 0.000 0.241 1227 I C 1.971 177.758 176.117 -0.549 0.000 1.075 1227 I CA 4.123 65.225 61.300 -0.330 0.000 1.334 1227 I CB -0.525 37.219 38.000 -0.426 0.000 1.040 1227 I HN -0.219 7.964 8.210 -0.044 0.000 0.405 1228 A N -0.840 121.578 122.820 -0.671 0.000 1.883 1228 A HA -0.357 nan 4.320 nan 0.000 0.217 1228 A C 2.160 179.687 177.584 -0.095 0.000 1.186 1228 A CA 3.187 54.923 52.037 -0.501 0.000 0.624 1228 A CB -1.073 17.576 19.000 -0.585 0.000 0.822 1228 A HN 0.157 7.937 8.150 -0.617 0.000 0.444 1229 A N -0.929 121.810 122.820 -0.135 0.000 1.986 1229 A HA -0.237 nan 4.320 nan 0.000 0.220 1229 A C 1.531 179.119 177.584 0.006 0.000 1.171 1229 A CA 2.544 54.578 52.037 -0.005 0.000 0.640 1229 A CB -0.330 18.621 19.000 -0.083 0.000 0.811 1229 A HN 0.080 8.083 8.150 -0.245 0.000 0.451 1230 G N -4.216 104.548 108.800 -0.060 0.000 3.337 1230 G HA2 0.036 nan 3.960 nan 0.000 0.246 1230 G HA3 0.036 nan 3.960 nan 0.000 0.246 1230 G C -0.746 174.082 174.900 -0.120 0.000 1.131 1230 G CA -0.151 44.914 45.100 -0.059 0.000 0.773 1230 G HN -0.310 7.783 8.290 -0.112 0.130 0.544 1231 S N 2.149 117.735 115.700 -0.190 0.000 2.525 1231 S HA 0.355 nan 4.470 nan 0.000 0.278 1231 S C -2.021 172.319 174.600 -0.433 0.000 1.234 1231 S CA -1.677 56.291 58.200 -0.386 0.000 1.058 1231 S CB 1.145 63.943 63.200 -0.671 0.000 0.983 1231 S HN -0.501 7.565 8.310 -0.109 0.179 0.495 1232 P HA 0.314 nan 4.420 nan 0.000 0.274 1232 P C -1.125 175.992 177.300 -0.305 0.000 1.246 1232 P CA -1.579 61.392 63.100 -0.215 0.000 0.795 1232 P CB 0.001 31.622 31.700 -0.132 0.000 1.006 1233 P HA -0.127 nan 4.420 nan 0.000 0.216 1233 P C -0.376 176.917 177.300 -0.013 0.000 1.157 1233 P CA 4.295 67.408 63.100 0.022 0.000 0.880 1233 P CB -2.198 29.541 31.700 0.064 0.000 0.791 1234 P HA -0.163 nan 4.420 nan 0.000 0.218 1234 P C 1.504 178.773 177.300 -0.052 0.000 1.146 1234 P CA 2.600 65.677 63.100 -0.039 0.000 0.813 1234 P CB -0.580 31.090 31.700 -0.049 0.000 0.778 1235 V N -1.600 118.241 119.914 -0.120 0.000 2.379 1235 V HA -0.330 nan 4.120 nan 0.000 0.245 1235 V C 2.025 178.192 176.094 0.122 0.000 1.044 1235 V CA 4.051 66.321 62.300 -0.050 0.000 1.036 1235 V CB -0.649 31.098 31.823 -0.126 0.000 0.664 1235 V HN -0.405 7.624 8.190 -0.211 0.035 0.453 1236 F N -1.355 118.706 119.950 0.186 0.000 2.146 1236 F HA -0.481 nan 4.527 nan 0.000 0.298 1236 F C 2.078 177.931 175.800 0.090 0.000 1.096 1236 F CA 3.269 61.374 58.000 0.174 0.000 1.275 1236 F CB -0.110 38.974 39.000 0.140 0.000 1.008 1236 F HN -0.924 7.215 8.300 -0.268 0.000 0.480 1237 E N -0.529 119.803 120.200 0.221 0.000 2.110 1237 E HA -0.400 nan 4.350 nan 0.000 0.193 1237 E C 2.676 179.289 176.600 0.022 0.000 0.988 1237 E CA 3.265 59.727 56.400 0.103 0.000 0.804 1237 E CB -0.364 29.372 29.700 0.061 0.000 0.745 1237 E HN -0.127 8.357 8.360 0.207 0.000 0.458 1238 R N -1.669 118.803 120.500 -0.048 0.000 2.120 1238 R HA -0.216 nan 4.340 nan 0.000 0.234 1238 R C 1.079 177.163 176.300 -0.359 0.000 1.123 1238 R CA 2.394 58.358 56.100 -0.227 0.000 0.975 1238 R CB 0.074 30.167 30.300 -0.345 0.000 0.866 1238 R HN -0.598 7.529 8.270 -0.000 0.143 0.446 1239 H N -3.561 115.514 119.070 0.009 0.000 2.488 1239 H HA 0.132 nan 4.556 nan 0.000 0.294 1239 H C -0.460 174.865 175.328 -0.005 0.000 1.088 1239 H CA -0.807 55.221 56.048 -0.034 0.000 1.086 1239 H CB -0.946 28.739 29.762 -0.128 0.000 1.569 1239 H HN -0.800 7.379 8.280 0.043 0.126 0.548 1240 G N 0.315 109.159 108.800 0.073 0.000 2.356 1240 G HA2 -0.473 nan 3.960 nan 0.000 0.296 1240 G HA3 -0.473 nan 3.960 nan 0.000 0.296 1240 G C -1.075 173.870 174.900 0.075 0.000 1.022 1240 G CA 1.006 46.142 45.100 0.061 0.000 0.961 1240 G HN -0.427 7.802 8.290 0.031 0.080 0.510 1241 L N -0.952 120.344 121.223 0.121 0.000 2.330 1241 L HA 0.378 nan 4.340 nan 0.000 0.271 1241 L C -1.971 174.926 176.870 0.044 0.000 1.013 1241 L CA -3.289 51.601 54.840 0.083 0.000 0.816 1241 L CB 1.763 43.901 42.059 0.131 0.000 1.287 1241 L HN 0.115 8.338 8.230 0.170 0.109 0.435 1242 P HA 0.013 nan 4.420 nan 0.000 0.268 1242 P C -0.801 176.439 177.300 -0.100 0.000 1.204 1242 P CA -0.221 62.846 63.100 -0.054 0.000 0.768 1242 P CB 0.938 32.594 31.700 -0.073 0.000 0.842 1243 A N 4.922 127.753 122.820 0.017 0.000 2.131 1243 A HA -0.263 nan 4.320 nan 0.000 0.220 1243 A C 1.363 178.966 177.584 0.032 0.000 1.158 1243 A CA 2.547 54.651 52.037 0.112 0.000 0.665 1243 A CB -0.350 18.719 19.000 0.115 0.000 0.795 1243 A HN 0.539 8.710 8.150 0.035 0.000 0.460 1244 D N -3.480 116.882 120.400 -0.062 0.000 2.234 1244 D HA -0.094 nan 4.640 nan 0.000 0.205 1244 D C 1.758 177.969 176.300 -0.149 0.000 0.962 1244 D CA 2.190 56.150 54.000 -0.067 0.000 0.855 1244 D CB -0.300 40.467 40.800 -0.055 0.000 0.951 1244 D HN 0.099 8.352 8.370 -0.065 0.078 0.500 1245 T N 2.479 116.828 114.554 -0.342 0.000 2.567 1245 T HA -0.451 nan 4.350 nan 0.000 0.261 1245 T C 1.615 176.209 174.700 -0.177 0.000 1.123 1245 T CA 5.084 66.953 62.100 -0.384 0.000 1.166 1245 T CB -0.745 67.571 68.868 -0.919 0.000 0.860 1245 T HN -0.272 7.650 8.240 -0.340 0.114 0.436 1246 G N 0.324 108.931 108.800 -0.321 0.000 2.545 1246 G HA2 -0.440 nan 3.960 nan 0.000 0.217 1246 G HA3 -0.440 nan 3.960 nan 0.000 0.217 1246 G C 0.637 175.643 174.900 0.176 0.000 1.218 1246 G CA 2.122 47.403 45.100 0.301 0.000 0.787 1246 G HN 0.504 8.048 8.290 -1.244 0.000 0.571 1247 K N 0.914 121.387 120.400 0.123 0.000 2.280 1247 K HA -0.347 nan 4.320 nan 0.000 0.202 1247 K C 2.284 178.889 176.600 0.009 0.000 1.047 1247 K CA 2.798 59.120 56.287 0.058 0.000 0.942 1247 K CB -0.315 32.211 32.500 0.043 0.000 0.739 1247 K HN 0.058 8.396 8.250 0.147 0.000 0.457 1248 K N 0.427 120.825 120.400 -0.003 0.000 2.031 1248 K HA -0.246 nan 4.320 nan 0.000 0.205 1248 K C 2.339 178.847 176.600 -0.154 0.000 1.049 1248 K CA 3.193 59.422 56.287 -0.097 0.000 0.939 1248 K CB -0.135 32.278 32.500 -0.145 0.000 0.717 1248 K HN -0.270 7.824 8.250 0.026 0.172 0.438 1249 F N -1.609 118.267 119.950 -0.124 0.000 2.206 1249 F HA -0.235 nan 4.527 nan 0.000 0.298 1249 F C 2.167 177.849 175.800 -0.197 0.000 1.090 1249 F CA 3.711 61.616 58.000 -0.158 0.000 1.323 1249 F CB -0.110 38.800 39.000 -0.150 0.000 1.028 1249 F HN -0.193 8.287 8.300 0.299 0.000 0.492 1250 G N -2.042 106.780 108.800 0.036 0.000 2.469 1250 G HA2 -0.449 nan 3.960 nan 0.000 0.220 1250 G HA3 -0.449 nan 3.960 nan 0.000 0.220 1250 G C 0.891 175.732 174.900 -0.097 0.000 1.136 1250 G CA 2.243 47.314 45.100 -0.048 0.000 0.759 1250 G HN 0.403 8.755 8.290 0.103 0.000 0.562 1251 E N 1.920 122.062 120.200 -0.096 0.000 2.046 1251 E HA -0.240 nan 4.350 nan 0.000 0.190 1251 E C 2.143 178.639 176.600 -0.173 0.000 0.982 1251 E CA 2.384 58.713 56.400 -0.118 0.000 0.800 1251 E CB -0.133 29.503 29.700 -0.107 0.000 0.756 1251 E HN -0.725 7.478 8.360 -0.076 0.112 0.449 1252 L N -0.690 120.403 121.223 -0.216 0.000 1.989 1252 L HA -0.395 nan 4.340 nan 0.000 0.211 1252 L C 2.440 179.094 176.870 -0.359 0.000 1.071 1252 L CA 3.065 57.743 54.840 -0.272 0.000 0.749 1252 L CB -0.135 41.739 42.059 -0.309 0.000 0.890 1252 L HN -0.625 7.408 8.230 -0.209 0.071 0.431 1253 L N -3.486 117.501 121.223 -0.393 0.000 2.131 1253 L HA -0.338 nan 4.340 nan 0.000 0.210 1253 L C 3.252 179.872 176.870 -0.417 0.000 1.092 1253 L CA 2.560 57.058 54.840 -0.571 0.000 0.759 1253 L CB -0.763 40.934 42.059 -0.602 0.000 0.903 1253 L HN 0.344 8.389 8.230 -0.308 0.000 0.435 1254 G N -1.422 107.227 108.800 -0.250 0.000 2.448 1254 G HA2 -0.256 nan 3.960 nan 0.000 0.219 1254 G HA3 -0.256 nan 3.960 nan 0.000 0.219 1254 G C 0.453 175.263 174.900 -0.149 0.000 1.127 1254 G CA 1.483 46.494 45.100 -0.148 0.000 0.766 1254 G HN -0.220 7.925 8.290 -0.233 0.006 0.552 1255 K N -0.850 119.428 120.400 -0.203 0.000 2.459 1255 K HA -0.007 nan 4.320 nan 0.000 0.193 1255 K C 0.097 176.580 176.600 -0.194 0.000 1.030 1255 K CA -0.201 55.986 56.287 -0.165 0.000 1.026 1255 K CB 0.256 32.660 32.500 -0.160 0.000 0.809 1255 K HN -0.427 7.569 8.250 -0.231 0.115 0.504 1256 G N -0.805 107.774 108.800 -0.368 0.000 2.143 1256 G HA2 -0.391 nan 3.960 nan 0.000 0.249 1256 G HA3 -0.391 nan 3.960 nan 0.000 0.249 1256 G C -0.483 174.108 174.900 -0.516 0.000 0.981 1256 G CA 0.095 44.947 45.100 -0.413 0.000 0.665 1256 G HN -0.300 7.516 8.290 -0.450 0.204 0.528 1257 D N 1.057 121.148 120.400 -0.515 0.000 2.619 1257 D HA 0.147 nan 4.640 nan 0.000 0.224 1257 D C 0.247 176.344 176.300 -0.339 0.000 1.133 1257 D CA -2.181 51.645 54.000 -0.290 0.000 1.017 1257 D CB -1.162 39.516 40.800 -0.204 0.000 1.077 1257 D HN -0.508 7.501 8.370 -0.501 0.061 0.503 1258 F N 2.817 122.768 119.950 0.001 0.000 2.259 1258 F HA -0.166 nan 4.527 nan 0.000 0.298 1258 F C 2.032 177.849 175.800 0.027 0.000 1.088 1258 F CA 2.962 60.977 58.000 0.026 0.000 1.358 1258 F CB -0.438 38.605 39.000 0.071 0.000 1.040 1258 F HN -0.492 7.786 8.300 0.040 0.046 0.505 1259 G N -1.451 107.459 108.800 0.182 0.000 2.422 1259 G HA2 -0.361 nan 3.960 nan 0.000 0.218 1259 G HA3 -0.361 nan 3.960 nan 0.000 0.218 1259 G C 1.335 176.265 174.900 0.050 0.000 1.146 1259 G CA 1.824 46.989 45.100 0.108 0.000 0.769 1259 G HN 0.350 8.770 8.290 0.216 0.000 0.547 1260 G N 1.095 109.894 108.800 -0.003 0.000 2.404 1260 G HA2 -0.269 nan 3.960 nan 0.000 0.214 1260 G HA3 -0.269 nan 3.960 nan 0.000 0.214 1260 G C 0.688 175.550 174.900 -0.064 0.000 1.189 1260 G CA 0.932 45.999 45.100 -0.053 0.000 0.789 1260 G HN -0.764 7.504 8.290 -0.009 0.016 0.533 1261 A N 1.915 124.692 122.820 -0.072 0.000 1.917 1261 A HA -0.300 nan 4.320 nan 0.000 0.219 1261 A C 1.632 179.314 177.584 0.163 0.000 1.182 1261 A CA 2.737 54.765 52.037 -0.014 0.000 0.633 1261 A CB -0.745 18.270 19.000 0.026 0.000 0.819 1261 A HN -0.371 7.724 8.150 -0.092 0.000 0.448 1262 I N -3.981 116.676 120.570 0.145 0.000 2.226 1262 I HA -0.414 nan 4.170 nan 0.000 0.245 1262 I C 2.749 178.939 176.117 0.122 0.000 1.100 1262 I CA 2.887 64.281 61.300 0.157 0.000 1.374 1262 I CB -0.075 38.008 38.000 0.138 0.000 1.057 1262 I HN 0.105 8.278 8.210 0.124 0.111 0.413 1263 G N -0.529 108.315 108.800 0.073 0.000 2.471 1263 G HA2 -0.257 nan 3.960 nan 0.000 0.219 1263 G HA3 -0.257 nan 3.960 nan 0.000 0.219 1263 G C 0.240 175.167 174.900 0.045 0.000 1.125 1263 G CA 1.463 46.591 45.100 0.047 0.000 0.775 1263 G HN -0.353 7.903 8.290 0.059 0.070 0.548 1264 A N 0.151 122.995 122.820 0.040 0.000 2.167 1264 A HA 0.050 nan 4.320 nan 0.000 0.214 1264 A C -0.152 177.572 177.584 0.232 0.000 1.151 1264 A CA 0.304 52.353 52.037 0.020 0.000 0.735 1264 A CB 0.613 19.444 19.000 -0.282 0.000 0.802 1264 A HN -0.311 7.704 8.150 0.039 0.158 0.467 1265 V N 2.281 122.363 119.914 0.279 0.000 2.439 1265 V HA -0.148 nan 4.120 nan 0.000 0.271 1265 V C -1.036 175.143 176.094 0.141 0.000 1.040 1265 V CA 0.635 63.084 62.300 0.249 0.000 1.002 1265 V CB -1.503 30.431 31.823 0.185 0.000 1.000 1265 V HN -0.708 7.422 8.190 0.211 0.186 0.477 1266 D N 5.668 126.141 120.400 0.121 0.000 2.569 1266 D HA 0.121 nan 4.640 nan 0.000 0.266 1266 D C 0.336 176.666 176.300 0.050 0.000 1.164 1266 D CA -2.257 51.787 54.000 0.074 0.000 1.071 1266 D CB 1.821 42.659 40.800 0.063 0.000 1.183 1266 D HN -0.442 8.021 8.370 0.154 0.000 0.613 1267 D N -0.617 119.803 120.400 0.033 0.000 2.178 1267 D HA -0.249 nan 4.640 nan 0.000 0.201 1267 D C 2.087 178.385 176.300 -0.003 0.000 0.980 1267 D CA 3.898 57.907 54.000 0.016 0.000 0.842 1267 D CB -0.270 40.538 40.800 0.013 0.000 0.948 1267 D HN 0.366 8.756 8.370 0.033 0.000 0.472 1268 A N 0.008 122.828 122.820 -0.000 0.000 1.908 1268 A HA -0.155 nan 4.320 nan 0.000 0.218 1268 A C 2.390 179.931 177.584 -0.072 0.000 1.181 1268 A CA 2.758 54.780 52.037 -0.024 0.000 0.627 1268 A CB -0.593 18.406 19.000 -0.002 0.000 0.818 1268 A HN 0.062 8.274 8.150 0.015 -0.054 0.445 1269 L N -2.370 118.836 121.223 -0.029 0.000 2.044 1269 L HA -0.384 nan 4.340 nan 0.000 0.205 1269 L C 2.337 179.179 176.870 -0.046 0.000 1.075 1269 L CA 2.891 57.713 54.840 -0.030 0.000 0.747 1269 L CB -0.195 41.905 42.059 0.069 0.000 0.903 1269 L HN 0.044 8.633 8.230 0.017 -0.348 0.435 1270 M N -1.516 118.081 119.600 -0.006 0.000 2.106 1270 M HA -0.457 nan 4.480 nan 0.000 0.259 1270 M C 2.708 178.975 176.300 -0.056 0.000 1.068 1270 M CA 2.306 57.607 55.300 0.002 0.000 1.100 1270 M CB -1.478 31.131 32.600 0.015 0.000 1.351 1270 M HN -0.372 7.923 8.290 0.008 0.000 0.404 1271 E N -0.891 119.255 120.200 -0.090 0.000 2.110 1271 E HA -0.246 nan 4.350 nan 0.000 0.193 1271 E C 1.327 177.795 176.600 -0.219 0.000 0.988 1271 E CA 2.481 58.813 56.400 -0.114 0.000 0.804 1271 E CB -0.241 29.411 29.700 -0.081 0.000 0.745 1271 E HN -0.100 8.207 8.360 -0.075 0.008 0.458 1272 A N -2.853 119.713 122.820 -0.424 0.000 1.935 1272 A HA 0.008 nan 4.320 nan 0.000 0.214 1272 A C 1.041 178.073 177.584 -0.920 0.000 1.178 1272 A CA 2.237 53.713 52.037 -0.934 0.000 0.640 1272 A CB 0.754 18.902 19.000 -1.421 0.000 0.825 1272 A HN -0.586 7.235 8.150 -0.372 0.106 0.447 1273 F N -5.943 113.890 119.950 -0.195 0.000 2.654 1273 F HA 0.167 nan 4.527 nan 0.000 0.303 1273 F C -1.639 174.125 175.800 -0.059 0.000 1.099 1273 F CA -0.829 57.095 58.000 -0.126 0.000 1.270 1273 F CB 1.135 40.066 39.000 -0.117 0.000 1.024 1273 F HN 0.128 8.096 8.300 -0.376 0.106 0.548 1274 S N -2.394 113.348 115.700 0.070 0.000 2.611 1274 S HA 0.353 nan 4.470 nan 0.000 0.268 1274 S C -1.628 172.975 174.600 0.005 0.000 1.156 1274 S CA -1.255 56.985 58.200 0.067 0.000 0.817 1274 S CB 3.003 66.247 63.200 0.073 0.000 1.122 1274 S HN -0.591 7.709 8.310 -0.017 0.000 0.466 1275 V N 2.386 122.296 119.914 -0.006 0.000 2.305 1275 V HA 0.340 nan 4.120 nan 0.000 0.275 1275 V C -1.784 174.163 176.094 -0.246 0.000 1.020 1275 V CA -0.365 61.806 62.300 -0.215 0.000 0.811 1275 V CB 0.397 32.084 31.823 -0.227 0.000 1.031 1275 V HN 0.505 8.735 8.190 0.066 0.000 0.439 1276 V N 0.731 120.539 119.914 -0.178 0.000 3.001 1276 V HA 0.882 nan 4.120 nan 0.000 0.314 1276 V C -0.849 175.292 176.094 0.078 0.000 1.099 1276 V CA -3.272 59.056 62.300 0.046 0.000 0.989 1276 V CB 3.037 34.910 31.823 0.084 0.000 1.040 1276 V HN -0.028 8.061 8.190 -0.169 0.000 0.434 1277 G N 2.733 111.706 108.800 0.289 0.000 2.270 1277 G HA2 -0.130 nan 3.960 nan 0.000 0.268 1277 G HA3 -0.130 nan 3.960 nan 0.000 0.268 1277 G C -1.921 173.176 174.900 0.328 0.000 1.312 1277 G CA -0.113 45.137 45.100 0.251 0.000 1.050 1277 G HN -0.137 8.370 8.290 0.361 0.000 0.474 1278 T N -3.192 111.506 114.554 0.240 0.000 2.874 1278 T HA 0.513 nan 4.350 nan 0.000 0.281 1278 T C -0.934 173.894 174.700 0.212 0.000 0.994 1278 T CA -2.124 60.076 62.100 0.167 0.000 1.015 1278 T CB 0.133 69.065 68.868 0.106 0.000 1.028 1278 T HN 0.363 9.177 8.240 0.193 -0.458 0.523 1279 P HA -0.239 nan 4.420 nan 0.000 0.216 1279 P C 0.860 178.243 177.300 0.139 0.000 1.153 1279 P CA 3.106 66.224 63.100 0.029 0.000 0.858 1279 P CB 0.165 31.849 31.700 -0.026 0.000 0.789 1280 D N -3.498 116.967 120.400 0.109 0.000 2.149 1280 D HA -0.288 nan 4.640 nan 0.000 0.198 1280 D C 1.945 178.325 176.300 0.134 0.000 0.990 1280 D CA 3.343 57.402 54.000 0.099 0.000 0.839 1280 D CB -0.628 40.210 40.800 0.062 0.000 0.948 1280 D HN 0.303 8.721 8.370 0.081 0.000 0.460 1281 E N -1.982 118.318 120.200 0.168 0.000 2.268 1281 E HA -0.210 nan 4.350 nan 0.000 0.195 1281 E C 1.817 178.507 176.600 0.151 0.000 0.995 1281 E CA 2.040 58.524 56.400 0.140 0.000 0.836 1281 E CB 0.029 29.804 29.700 0.124 0.000 0.763 1281 E HN -0.571 7.799 8.360 0.171 0.093 0.491 1282 F N -0.128 119.844 119.950 0.036 0.000 2.206 1282 F HA -0.252 nan 4.527 nan 0.000 0.298 1282 F C 1.464 177.299 175.800 0.059 0.000 1.090 1282 F CA 3.582 61.594 58.000 0.019 0.000 1.323 1282 F CB -0.052 38.952 39.000 0.006 0.000 1.028 1282 F HN -0.529 7.897 8.300 0.491 0.169 0.492 1283 I N -0.958 119.799 120.570 0.311 0.000 2.087 1283 I HA -0.469 nan 4.170 nan 0.000 0.240 1283 I C -0.953 175.294 176.117 0.217 0.000 1.054 1283 I CA 6.340 67.830 61.300 0.317 0.000 1.311 1283 I CB -2.880 35.208 38.000 0.146 0.000 1.024 1283 I HN -0.639 7.750 8.210 0.298 0.000 0.402 1284 P HA -0.190 nan 4.420 nan 0.000 0.217 1284 P C 1.655 178.982 177.300 0.045 0.000 1.150 1284 P CA 2.844 65.979 63.100 0.058 0.000 0.832 1284 P CB -0.605 31.113 31.700 0.029 0.000 0.787 1285 K N -0.875 119.529 120.400 0.006 0.000 2.026 1285 K HA -0.274 nan 4.320 nan 0.000 0.208 1285 K C 2.839 179.404 176.600 -0.058 0.000 1.048 1285 K CA 3.451 59.702 56.287 -0.059 0.000 0.929 1285 K CB -0.276 32.118 32.500 -0.178 0.000 0.713 1285 K HN -0.944 7.312 8.250 0.010 0.000 0.439 1286 I N -0.597 119.941 120.570 -0.053 0.000 2.315 1286 I HA -0.513 nan 4.170 nan 0.000 0.248 1286 I C 1.899 178.044 176.117 0.046 0.000 1.117 1286 I CA 3.889 65.114 61.300 -0.125 0.000 1.404 1286 I CB -0.299 37.517 38.000 -0.307 0.000 1.071 1286 I HN 0.492 8.595 8.210 0.001 0.107 0.419 1287 E N -0.044 120.279 120.200 0.204 0.000 2.051 1287 E HA -0.424 nan 4.350 nan 0.000 0.192 1287 E C 2.327 178.968 176.600 0.067 0.000 0.991 1287 E CA 3.449 59.958 56.400 0.181 0.000 0.799 1287 E CB -0.380 29.392 29.700 0.120 0.000 0.748 1287 E HN 0.026 8.438 8.360 0.236 0.090 0.449 1288 A N -0.368 122.473 122.820 0.035 0.000 1.908 1288 A HA -0.248 nan 4.320 nan 0.000 0.218 1288 A C 2.267 179.846 177.584 -0.008 0.000 1.181 1288 A CA 3.069 55.115 52.037 0.015 0.000 0.627 1288 A CB -0.699 18.308 19.000 0.013 0.000 0.818 1288 A HN 0.046 8.220 8.150 0.040 0.000 0.445 1289 L N -3.158 118.036 121.223 -0.048 0.000 2.046 1289 L HA -0.437 nan 4.340 nan 0.000 0.208 1289 L C 2.489 179.270 176.870 -0.149 0.000 1.077 1289 L CA 2.418 57.171 54.840 -0.146 0.000 0.747 1289 L CB -0.417 41.513 42.059 -0.215 0.000 0.896 1289 L HN -0.226 7.905 8.230 -0.043 0.073 0.432 1290 G N -2.090 106.659 108.800 -0.084 0.000 2.440 1290 G HA2 -0.379 nan 3.960 nan 0.000 0.218 1290 G HA3 -0.379 nan 3.960 nan 0.000 0.218 1290 G C 1.916 176.803 174.900 -0.020 0.000 1.154 1290 G CA 2.029 47.100 45.100 -0.049 0.000 0.767 1290 G HN 0.259 8.338 8.290 -0.051 0.181 0.552 1291 E N 1.116 121.316 120.200 0.000 0.000 2.204 1291 E HA -0.187 nan 4.350 nan 0.000 0.195 1291 E C 1.434 178.042 176.600 0.014 0.000 0.990 1291 E CA 2.025 58.432 56.400 0.012 0.000 0.821 1291 E CB -0.441 29.270 29.700 0.018 0.000 0.750 1291 E HN -0.132 8.144 8.360 0.005 0.087 0.477 1292 M N -4.421 115.185 119.600 0.010 0.000 2.563 1292 M HA 0.131 nan 4.480 nan 0.000 0.231 1292 M C 0.455 176.785 176.300 0.050 0.000 1.136 1292 M CA -1.572 53.757 55.300 0.047 0.000 1.026 1292 M CB -0.320 32.342 32.600 0.102 0.000 1.597 1292 M HN -0.557 7.589 8.290 -0.013 0.137 0.495 1293 G N -3.752 105.051 108.800 0.004 0.000 2.218 1293 G HA2 -0.266 nan 3.960 nan 0.000 0.216 1293 G HA3 -0.266 nan 3.960 nan 0.000 0.216 1293 G C -0.929 173.947 174.900 -0.039 0.000 0.994 1293 G CA -0.126 44.978 45.100 0.008 0.000 0.637 1293 G HN -0.310 7.784 8.290 -0.012 0.189 0.505 1294 V N 2.019 121.844 119.914 -0.148 0.000 2.458 1294 V HA -0.214 nan 4.120 nan 0.000 0.287 1294 V C 0.690 176.693 176.094 -0.153 0.000 1.009 1294 V CA 1.870 64.023 62.300 -0.246 0.000 1.091 1294 V CB -1.262 30.261 31.823 -0.500 0.000 0.960 1294 V HN -0.539 7.540 8.190 -0.184 0.000 0.476 1295 T N 3.838 118.327 114.554 -0.109 0.000 3.022 1295 T HA 0.104 nan 4.350 nan 0.000 0.250 1295 T C -0.727 173.906 174.700 -0.112 0.000 1.060 1295 T CA 0.277 62.331 62.100 -0.077 0.000 1.013 1295 T CB 0.915 69.768 68.868 -0.026 0.000 0.982 1295 T HN 0.665 8.748 8.240 -0.090 0.103 0.508 1296 Q N 1.390 121.094 119.800 -0.160 0.000 2.285 1296 Q HA 0.505 nan 4.340 nan 0.000 0.269 1296 Q C -2.844 173.001 176.000 -0.258 0.000 1.030 1296 Q CA -1.161 54.514 55.803 -0.213 0.000 0.788 1296 Q CB 3.765 32.368 28.738 -0.226 0.000 1.266 1296 Q HN -0.474 7.702 8.270 -0.157 0.000 0.438 1297 Y N 7.466 127.491 120.300 -0.457 0.000 2.367 1297 Y HA 0.390 nan 4.550 nan 0.000 0.342 1297 Y C -2.478 173.335 175.900 -0.146 0.000 0.979 1297 Y CA -1.481 56.385 58.100 -0.390 0.000 1.161 1297 Y CB 1.618 39.690 38.460 -0.648 0.000 1.155 1297 Y HN 0.892 8.900 8.280 -0.454 0.000 0.503 1298 V N 9.109 128.581 119.914 -0.736 0.000 2.370 1298 V HA 0.291 nan 4.120 nan 0.000 0.279 1298 V C -1.143 174.661 176.094 -0.484 0.000 1.029 1298 V CA -1.954 60.111 62.300 -0.392 0.000 0.870 1298 V CB 0.497 32.119 31.823 -0.335 0.000 0.984 1298 V HN 0.455 8.202 8.190 -0.739 0.000 0.451 1299 A N 8.496 131.265 122.820 -0.084 0.000 2.539 1299 A HA 0.288 nan 4.320 nan 0.000 0.306 1299 A C -0.881 176.708 177.584 0.008 0.000 1.392 1299 A CA -0.770 51.316 52.037 0.081 0.000 1.060 1299 A CB -0.214 18.975 19.000 0.315 0.000 1.134 1299 A HN 0.734 8.870 8.150 0.142 0.099 0.542 1300 G N 1.753 110.568 108.800 0.024 0.000 2.522 1300 G HA2 0.377 nan 3.960 nan 0.000 0.304 1300 G HA3 0.377 nan 3.960 nan 0.000 0.304 1300 G C -0.861 174.015 174.900 -0.039 0.000 1.210 1300 G CA -1.800 43.306 45.100 0.009 0.000 0.960 1300 G HN -0.433 7.866 8.290 0.015 0.000 0.497 1301 S N 0.579 116.227 115.700 -0.087 0.000 2.554 1301 S HA -0.174 nan 4.470 nan 0.000 0.290 1301 S C -0.165 174.418 174.600 -0.028 0.000 1.309 1301 S CA 0.374 58.526 58.200 -0.079 0.000 1.047 1301 S CB -0.424 62.714 63.200 -0.104 0.000 0.828 1301 S HN -0.277 8.238 8.310 -0.112 -0.272 0.509 1302 P HA 0.100 nan 4.420 nan 0.000 0.255 1302 P C -0.618 176.673 177.300 -0.015 0.000 1.248 1302 P CA 0.185 63.276 63.100 -0.016 0.000 0.807 1302 P CB 0.502 32.206 31.700 0.008 0.000 1.150 1303 I N -5.492 115.083 120.570 0.009 0.000 4.235 1303 I HA -0.538 nan 4.170 nan 0.000 0.088 1303 I C -1.039 175.114 176.117 0.061 0.000 0.530 1303 I CA 2.162 63.473 61.300 0.019 0.000 1.179 1303 I CB -0.853 37.099 38.000 -0.080 0.000 1.046 1303 I HN 0.693 8.847 8.210 0.035 0.078 0.176 1304 G N -5.426 103.403 108.800 0.048 0.000 2.321 1304 G HA2 0.071 nan 3.960 nan 0.000 0.298 1304 G HA3 0.071 nan 3.960 nan 0.000 0.298 1304 G C -3.287 171.638 174.900 0.043 0.000 1.385 1304 G CA -0.520 44.615 45.100 0.057 0.000 0.856 1304 G HN -0.702 7.466 8.290 0.032 0.142 0.584 1305 P HA -0.184 nan 4.420 nan 0.000 0.215 1305 P C -1.013 176.303 177.300 0.028 0.000 1.153 1305 P CA 1.577 64.698 63.100 0.035 0.000 0.853 1305 P CB 0.613 32.335 31.700 0.037 0.000 0.788 1306 D N -2.794 117.623 120.400 0.028 0.000 2.549 1306 D HA 0.200 nan 4.640 nan 0.000 0.251 1306 D C 0.108 176.427 176.300 0.033 0.000 1.153 1306 D CA -1.610 52.407 54.000 0.027 0.000 0.861 1306 D CB 1.726 42.540 40.800 0.023 0.000 1.207 1306 D HN -0.437 7.951 8.370 0.030 0.000 0.543 1307 K N 5.616 126.042 120.400 0.042 0.000 2.032 1307 K HA -0.407 nan 4.320 nan 0.000 0.209 1307 K C 1.378 178.016 176.600 0.064 0.000 1.048 1307 K CA 4.315 60.637 56.287 0.059 0.000 0.927 1307 K CB 0.011 32.574 32.500 0.105 0.000 0.712 1307 K HN 0.545 8.820 8.250 0.042 0.000 0.441 1308 E N -0.951 119.282 120.200 0.055 0.000 2.058 1308 E HA -0.326 nan 4.350 nan 0.000 0.194 1308 E C 1.948 178.571 176.600 0.039 0.000 0.997 1308 E CA 2.994 59.422 56.400 0.046 0.000 0.801 1308 E CB -0.365 29.353 29.700 0.029 0.000 0.746 1308 E HN -0.076 8.314 8.360 0.049 0.000 0.450 1309 K N -0.977 119.441 120.400 0.030 0.000 2.026 1309 K HA -0.302 nan 4.320 nan 0.000 0.208 1309 K C 2.557 179.169 176.600 0.020 0.000 1.048 1309 K CA 3.112 59.413 56.287 0.022 0.000 0.929 1309 K CB -0.045 32.466 32.500 0.017 0.000 0.713 1309 K HN -0.279 8.314 8.250 0.028 -0.326 0.439 1310 S N 0.266 115.978 115.700 0.021 0.000 2.399 1310 S HA -0.273 nan 4.470 nan 0.000 0.231 1310 S C 2.388 177.006 174.600 0.029 0.000 1.022 1310 S CA 3.974 62.180 58.200 0.009 0.000 0.983 1310 S CB -0.413 62.796 63.200 0.014 0.000 0.803 1310 S HN -0.026 8.299 8.310 0.026 0.000 0.480 1311 I N 1.543 122.148 120.570 0.058 0.000 2.315 1311 I HA -0.483 nan 4.170 nan 0.000 0.248 1311 I C 1.547 177.746 176.117 0.136 0.000 1.117 1311 I CA 3.876 65.246 61.300 0.116 0.000 1.404 1311 I CB -0.338 37.719 38.000 0.094 0.000 1.071 1311 I HN 0.338 8.473 8.210 0.051 0.106 0.419 1312 K N -0.136 120.307 120.400 0.072 0.000 2.057 1312 K HA -0.309 nan 4.320 nan 0.000 0.207 1312 K C 2.585 179.193 176.600 0.013 0.000 1.049 1312 K CA 3.360 59.674 56.287 0.045 0.000 0.931 1312 K CB -0.206 32.310 32.500 0.026 0.000 0.714 1312 K HN -0.702 7.485 8.250 0.055 0.097 0.440 1313 L N -1.110 120.108 121.223 -0.008 0.000 2.046 1313 L HA -0.355 nan 4.340 nan 0.000 0.208 1313 L C 2.077 178.891 176.870 -0.093 0.000 1.077 1313 L CA 2.990 57.797 54.840 -0.055 0.000 0.747 1313 L CB -0.271 41.739 42.059 -0.081 0.000 0.896 1313 L HN -0.057 8.104 8.230 0.001 0.069 0.432 1314 L N -2.861 118.325 121.223 -0.062 0.000 2.191 1314 L HA -0.360 nan 4.340 nan 0.000 0.212 1314 L C 2.272 179.047 176.870 -0.158 0.000 1.103 1314 L CA 2.858 57.651 54.840 -0.078 0.000 0.769 1314 L CB -0.875 41.310 42.059 0.211 0.000 0.908 1314 L HN 0.367 8.589 8.230 -0.014 0.000 0.438 1315 G N -2.278 106.484 108.800 -0.065 0.000 2.422 1315 G HA2 -0.354 nan 3.960 nan 0.000 0.218 1315 G HA3 -0.354 nan 3.960 nan 0.000 0.218 1315 G C 0.853 175.663 174.900 -0.149 0.000 1.146 1315 G CA 2.122 47.150 45.100 -0.120 0.000 0.769 1315 G HN 0.066 8.217 8.290 0.020 0.150 0.547 1316 E N 1.671 121.810 120.200 -0.102 0.000 2.047 1316 E HA -0.296 nan 4.350 nan 0.000 0.191 1316 E C 2.463 179.015 176.600 -0.081 0.000 0.987 1316 E CA 2.585 58.938 56.400 -0.077 0.000 0.799 1316 E CB -0.238 29.432 29.700 -0.051 0.000 0.752 1316 E HN -0.560 7.627 8.360 -0.081 0.125 0.449 1317 V N 0.542 120.394 119.914 -0.103 0.000 2.287 1317 V HA -0.372 nan 4.120 nan 0.000 0.248 1317 V C 2.217 178.277 176.094 -0.057 0.000 1.053 1317 V CA 4.235 66.521 62.300 -0.024 0.000 1.027 1317 V CB -0.875 30.913 31.823 -0.059 0.000 0.646 1317 V HN -0.474 7.577 8.190 -0.129 0.062 0.447 1318 I N -1.672 118.629 120.570 -0.448 0.000 2.264 1318 I HA -0.506 nan 4.170 nan 0.000 0.248 1318 I C 2.304 178.299 176.117 -0.204 0.000 1.111 1318 I CA 3.559 64.432 61.300 -0.711 0.000 1.382 1318 I CB -0.624 36.800 38.000 -0.960 0.000 1.060 1318 I HN 0.298 8.121 8.210 -0.466 0.107 0.418 1319 A N -0.707 122.031 122.820 -0.137 0.000 2.019 1319 A HA -0.203 nan 4.320 nan 0.000 0.219 1319 A C 1.196 178.771 177.584 -0.016 0.000 1.164 1319 A CA 2.748 54.747 52.037 -0.062 0.000 0.644 1319 A CB -0.766 18.198 19.000 -0.060 0.000 0.805 1319 A HN -0.088 7.842 8.150 -0.169 0.119 0.449 1320 S N -2.899 112.812 115.700 0.019 0.000 2.527 1320 S HA -0.023 nan 4.470 nan 0.000 0.222 1320 S C -0.474 174.021 174.600 -0.174 0.000 0.985 1320 S CA 1.683 59.844 58.200 -0.065 0.000 0.921 1320 S CB 0.596 63.745 63.200 -0.086 0.000 0.772 1320 S HN -0.295 7.914 8.310 0.036 0.123 0.529 1321 F N 0.000 119.944 119.950 -0.010 0.000 2.286 1321 F HA 0.000 nan 4.527 nan 0.000 0.279 1321 F CA 0.000 58.038 58.000 0.064 0.000 1.383 1321 F CB 0.000 39.129 39.000 0.216 0.000 1.145 1321 F HN 0.000 8.362 8.300 0.358 0.153 0.574