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 1m41_1_B DATA FIRST_RESID 1001 DATA SEQUENCE SLNMFWFLPT HGDGHYLGTE EGSRPVDHGY LQQIAQAADR LGYTGVLIPT DATA SEQUENCE GRSCEDAWLV AASMIPVTQR LKFLVALRPS VTSPTVAARQ AATLDRLSNG DATA SEQUENCE RALFNLVTGS DPQELAGDGV FLDHSERYEA SAEFTQVWRR LLQRETVDFN DATA SEQUENCE GKHIHVRGAK LLFPAIQQPY PPLYFGGSSD VAQELAAEQV DLYLTWGEPP DATA SEQUENCE ELVKEKIEQV RAKAAAHGRK IRFGIRLHVI VRETNDEAWQ AAERLISHLX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXLEISPNLW AGVGLVRGGA DATA SEQUENCE GTALVGDGPT VAARINEYAA LGIDSFVLSG YPHLEEAYRV GELLFPLLDV DATA SEQUENCE AIPEIPQPQP L 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1001 S C 0.000 174.619 174.600 0.032 0.000 1.055 1001 S CA 0.000 58.201 58.200 0.001 0.000 1.107 1001 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 1002 L N 2.554 123.790 121.223 0.021 0.000 2.325 1002 L HA 0.566 4.906 4.340 0.000 0.000 0.279 1002 L C -0.124 176.790 176.870 0.074 0.000 1.054 1002 L CA -0.910 53.991 54.840 0.102 0.000 0.804 1002 L CB 0.693 42.824 42.059 0.119 0.000 1.200 1002 L HN 0.531 nan 8.230 nan 0.000 0.436 1003 N N 4.158 122.977 118.700 0.198 0.000 2.485 1003 N HA 0.330 5.070 4.740 0.000 0.000 0.243 1003 N C -0.856 174.891 175.510 0.395 0.000 0.987 1003 N CA -0.423 52.768 53.050 0.235 0.000 0.940 1003 N CB 1.525 40.223 38.487 0.352 0.000 1.122 1003 N HN 0.416 nan 8.380 nan 0.000 0.509 1004 M N 2.940 122.662 119.600 0.204 0.000 2.113 1004 M HA 0.399 4.879 4.480 0.000 0.000 0.352 1004 M C -0.367 176.231 176.300 0.497 0.000 1.170 1004 M CA -0.317 55.187 55.300 0.340 0.000 1.053 1004 M CB -0.257 32.312 32.600 -0.052 0.000 1.601 1004 M HN 0.257 nan 8.290 nan 0.000 0.459 1005 F N 1.602 121.835 119.950 0.472 0.000 2.492 1005 F HA 0.509 5.036 4.527 0.000 0.000 0.327 1005 F C 0.326 176.441 175.800 0.526 0.000 1.079 1005 F CA -0.561 57.691 58.000 0.419 0.000 0.967 1005 F CB 2.157 41.289 39.000 0.220 0.000 1.169 1005 F HN 0.600 nan 8.300 nan 0.000 0.472 1006 W N 2.758 124.149 121.300 0.151 0.000 2.750 1006 W HA 0.565 5.225 4.660 0.000 0.000 0.547 1006 W C -1.573 175.056 176.519 0.183 0.000 1.555 1006 W CA -0.593 56.737 57.345 -0.024 0.000 1.449 1006 W CB 1.419 30.555 29.460 -0.540 0.000 2.736 1006 W HN 0.334 nan 8.180 nan 0.000 0.723 1007 F N 1.586 121.262 119.950 -0.457 0.000 2.608 1007 F HA 0.419 4.946 4.527 0.001 0.000 0.309 1007 F C -1.657 174.007 175.800 -0.227 0.000 1.103 1007 F CA -0.834 56.973 58.000 -0.322 0.000 0.954 1007 F CB 1.176 39.912 39.000 -0.441 0.000 1.267 1007 F HN -0.107 nan 8.300 nan 0.000 0.444 1008 L N 7.437 128.316 121.223 -0.574 0.000 2.277 1008 L HA 0.454 4.794 4.340 0.000 0.000 0.284 1008 L C -2.030 174.594 176.870 -0.410 0.000 1.028 1008 L CA -2.228 52.400 54.840 -0.354 0.000 0.835 1008 L CB 1.209 43.110 42.059 -0.264 0.000 1.215 1008 L HN 0.293 nan 8.230 nan 0.000 0.425 1009 P HA 0.022 nan 4.420 nan 0.000 0.232 1009 P C 0.621 177.873 177.300 -0.079 0.000 1.738 1009 P CA -0.100 62.965 63.100 -0.059 0.000 0.948 1009 P CB -0.518 30.870 31.700 -0.520 0.000 1.943 1010 T N -3.397 111.174 114.554 0.028 0.000 3.227 1010 T HA -0.093 4.257 4.350 0.000 0.000 0.257 1010 T C 1.326 176.076 174.700 0.085 0.000 1.162 1010 T CA 0.532 62.647 62.100 0.026 0.000 1.051 1010 T CB -1.072 67.795 68.868 -0.001 0.000 0.953 1010 T HN 0.411 nan 8.240 nan 0.000 0.535 1011 H N -0.180 118.930 119.070 0.067 0.000 2.654 1011 H HA 0.511 5.067 4.556 0.000 0.000 0.264 1011 H C 0.947 176.327 175.328 0.087 0.000 0.954 1011 H CA 0.257 56.352 56.048 0.078 0.000 1.199 1011 H CB 0.099 29.922 29.762 0.102 0.000 1.446 1011 H HN 0.558 nan 8.280 nan 0.000 0.516 1012 G N 0.201 108.699 108.800 -0.504 0.000 2.339 1012 G HA2 0.207 4.167 3.960 0.000 0.000 0.381 1012 G HA3 0.207 4.167 3.960 0.000 0.000 0.381 1012 G C -2.314 172.428 174.900 -0.262 0.000 1.400 1012 G CA -0.253 44.687 45.100 -0.267 0.000 1.002 1012 G HN 0.379 nan 8.290 nan 0.000 0.633 1013 D N -1.564 118.819 120.400 -0.028 0.000 2.677 1013 D HA 0.877 5.517 4.640 0.000 0.000 0.298 1013 D C 0.348 176.747 176.300 0.166 0.000 1.250 1013 D CA 1.115 55.210 54.000 0.158 0.000 0.888 1013 D CB 1.650 42.567 40.800 0.195 0.000 1.397 1013 D HN 1.826 nan 8.370 nan 0.000 0.461 1014 G N -0.962 107.992 108.800 0.257 0.000 2.324 1014 G HA2 0.115 4.075 3.960 0.000 0.000 0.293 1014 G HA3 0.115 4.075 3.960 0.000 0.000 0.293 1014 G C -0.267 174.633 174.900 0.000 0.000 1.297 1014 G CA -0.540 44.624 45.100 0.107 0.000 0.853 1014 G HN 0.468 nan 8.290 nan 0.000 0.535 1015 H N -1.120 117.895 119.070 -0.091 0.000 2.547 1015 H HA 0.201 4.758 4.556 0.000 0.000 0.272 1015 H C -0.184 174.797 175.328 -0.578 0.000 0.971 1015 H CA 1.044 56.887 56.048 -0.342 0.000 1.245 1015 H CB 0.681 30.091 29.762 -0.587 0.000 1.440 1015 H HN 0.328 nan 8.280 nan 0.000 0.540 1016 Y N 0.174 120.496 120.300 0.036 0.000 2.462 1016 Y HA 0.280 4.831 4.550 0.001 0.000 0.346 1016 Y C -0.339 175.455 175.900 -0.175 0.000 0.976 1016 Y CA -1.076 56.984 58.100 -0.066 0.000 1.044 1016 Y CB 1.440 39.793 38.460 -0.179 0.000 1.230 1016 Y HN -0.156 nan 8.280 nan 0.000 0.455 1017 L N 2.182 123.396 121.223 -0.016 0.000 2.350 1017 L HA 0.589 4.929 4.340 0.000 0.000 0.275 1017 L C 0.663 177.522 176.870 -0.018 0.000 1.099 1017 L CA 0.025 54.789 54.840 -0.127 0.000 0.808 1017 L CB 0.597 42.563 42.059 -0.154 0.000 1.149 1017 L HN 0.828 nan 8.230 nan 0.000 0.442 1018 G N 2.145 110.925 108.800 -0.032 0.000 2.415 1018 G HA2 -0.026 3.934 3.960 0.000 0.000 0.283 1018 G HA3 -0.026 3.934 3.960 0.000 0.000 0.283 1018 G C 0.106 175.008 174.900 0.004 0.000 1.014 1018 G CA 0.544 45.642 45.100 -0.004 0.000 1.323 1018 G HN 1.102 nan 8.290 nan 0.000 0.502 1019 T N -0.876 113.673 114.554 -0.009 0.000 2.995 1019 T HA 0.303 4.654 4.350 0.000 0.000 0.336 1019 T C 0.271 174.958 174.700 -0.022 0.000 1.833 1019 T CA 0.506 62.590 62.100 -0.026 0.000 1.033 1019 T CB -0.006 68.811 68.868 -0.085 0.000 1.898 1019 T HN 0.347 nan 8.240 nan 0.000 0.531 1020 E N 0.808 120.998 120.200 -0.016 0.000 2.479 1020 E HA 0.273 4.624 4.350 0.000 0.000 0.193 1020 E C 0.232 176.832 176.600 -0.001 0.000 1.049 1020 E CA -0.057 56.343 56.400 -0.000 0.000 0.870 1020 E CB 0.261 29.965 29.700 0.005 0.000 0.944 1020 E HN 0.511 nan 8.360 nan 0.000 0.492 1021 E N 0.109 120.283 120.200 -0.044 0.000 2.338 1021 E HA 0.347 4.698 4.350 0.000 0.000 0.272 1021 E C 1.117 177.773 176.600 0.094 0.000 1.029 1021 E CA 0.741 57.119 56.400 -0.037 0.000 0.872 1021 E CB 0.463 30.021 29.700 -0.237 0.000 1.015 1021 E HN 0.194 nan 8.360 nan 0.000 0.417 1022 G N 3.026 111.905 108.800 0.132 0.000 2.175 1022 G HA2 -0.360 3.600 3.960 0.000 0.000 0.265 1022 G HA3 -0.360 3.600 3.960 0.000 0.000 0.265 1022 G C 0.562 175.560 174.900 0.164 0.000 0.979 1022 G CA 0.652 45.850 45.100 0.164 0.000 0.663 1022 G HN 0.659 nan 8.290 nan 0.000 0.533 1023 S N -0.785 114.971 115.700 0.094 0.000 2.563 1023 S HA 0.416 4.886 4.470 0.000 0.000 0.269 1023 S C 0.638 175.263 174.600 0.041 0.000 1.364 1023 S CA 0.867 59.104 58.200 0.061 0.000 1.010 1023 S CB 0.554 63.771 63.200 0.028 0.000 0.877 1023 S HN 0.867 nan 8.310 nan 0.000 0.549 1024 R N 2.567 123.060 120.500 -0.011 0.000 2.502 1024 R HA 0.428 4.769 4.340 0.000 0.000 0.298 1024 R C -2.680 173.520 176.300 -0.167 0.000 1.018 1024 R CA -1.769 54.266 56.100 -0.110 0.000 0.899 1024 R CB 1.409 31.599 30.300 -0.182 0.000 1.181 1024 R HN 0.451 nan 8.270 nan 0.000 0.444 1025 P HA -0.030 nan 4.420 nan 0.000 0.265 1025 P C -0.799 176.403 177.300 -0.163 0.000 1.187 1025 P CA -0.086 62.946 63.100 -0.114 0.000 0.766 1025 P CB 1.085 32.739 31.700 -0.077 0.000 0.820 1026 V N 4.227 124.104 119.914 -0.061 0.000 2.378 1026 V HA 0.283 4.404 4.120 0.000 0.000 0.288 1026 V C 0.156 176.288 176.094 0.063 0.000 1.016 1026 V CA -0.131 62.186 62.300 0.028 0.000 0.840 1026 V CB 1.281 33.133 31.823 0.048 0.000 0.994 1026 V HN 0.772 nan 8.190 nan 0.000 0.431 1027 D N 1.391 121.858 120.400 0.111 0.000 2.781 1027 D HA 0.222 4.863 4.640 0.000 0.000 0.295 1027 D C 0.981 177.352 176.300 0.118 0.000 1.143 1027 D CA -0.609 53.453 54.000 0.104 0.000 1.076 1027 D CB 0.559 41.414 40.800 0.091 0.000 1.444 1027 D HN 0.307 nan 8.370 nan 0.000 0.567 1028 H N -0.527 118.573 119.070 0.049 0.000 2.423 1028 H HA 0.000 4.556 4.556 0.000 0.000 0.297 1028 H C 1.694 177.046 175.328 0.040 0.000 1.075 1028 H CA 1.909 57.975 56.048 0.030 0.000 1.342 1028 H CB -0.222 29.546 29.762 0.010 0.000 1.395 1028 H HN 0.578 nan 8.280 nan 0.000 0.530 1029 G N -0.687 108.147 108.800 0.056 0.000 2.422 1029 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 1029 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 1029 G C 1.664 176.581 174.900 0.027 0.000 1.140 1029 G CA 0.637 45.760 45.100 0.038 0.000 0.775 1029 G HN 0.554 nan 8.290 nan 0.000 0.545 1030 Y N 0.591 120.855 120.300 -0.061 0.000 2.269 1030 Y HA 0.209 4.759 4.550 0.001 0.000 0.294 1030 Y C 2.546 178.405 175.900 -0.069 0.000 1.120 1030 Y CA 0.536 58.611 58.100 -0.042 0.000 1.159 1030 Y CB 0.012 38.462 38.460 -0.017 0.000 1.024 1030 Y HN 0.041 nan 8.280 nan 0.000 0.532 1031 L N 0.628 121.784 121.223 -0.112 0.000 2.127 1031 L HA -0.271 4.070 4.340 0.000 0.000 0.211 1031 L C 2.526 179.227 176.870 -0.281 0.000 1.089 1031 L CA 1.931 56.639 54.840 -0.221 0.000 0.757 1031 L CB -0.517 41.453 42.059 -0.147 0.000 0.899 1031 L HN 0.393 nan 8.230 nan 0.000 0.434 1032 Q N -0.639 118.958 119.800 -0.339 0.000 2.311 1032 Q HA -0.158 4.182 4.340 0.000 0.000 0.203 1032 Q C 2.134 178.035 176.000 -0.165 0.000 0.954 1032 Q CA 0.679 56.315 55.803 -0.279 0.000 0.885 1032 Q CB 0.196 28.724 28.738 -0.349 0.000 0.963 1032 Q HN 0.506 nan 8.270 nan 0.000 0.471 1033 Q N 0.191 119.882 119.800 -0.181 0.000 2.079 1033 Q HA -0.109 4.232 4.340 0.000 0.000 0.200 1033 Q C 2.057 177.960 176.000 -0.161 0.000 0.974 1033 Q CA 1.177 56.898 55.803 -0.136 0.000 0.840 1033 Q CB 0.070 28.734 28.738 -0.123 0.000 0.898 1033 Q HN 0.503 nan 8.270 nan 0.000 0.430 1034 I N 0.353 120.763 120.570 -0.266 0.000 2.233 1034 I HA -0.193 3.977 4.170 0.000 0.000 0.243 1034 I C 2.435 178.481 176.117 -0.119 0.000 1.093 1034 I CA 0.857 62.044 61.300 -0.189 0.000 1.380 1034 I CB -0.393 37.489 38.000 -0.197 0.000 1.067 1034 I HN 0.039 nan 8.210 nan 0.000 0.413 1035 A N 0.273 123.037 122.820 -0.094 0.000 1.902 1035 A HA -0.255 4.065 4.320 0.000 0.000 0.217 1035 A C 2.268 179.827 177.584 -0.041 0.000 1.181 1035 A CA 1.634 53.653 52.037 -0.030 0.000 0.623 1035 A CB -0.594 18.432 19.000 0.043 0.000 0.818 1035 A HN 0.479 nan 8.150 nan 0.000 0.443 1036 Q N -0.908 118.864 119.800 -0.047 0.000 2.172 1036 Q HA 0.002 4.342 4.340 0.000 0.000 0.200 1036 Q C 2.416 178.383 176.000 -0.056 0.000 0.964 1036 Q CA 0.972 56.755 55.803 -0.033 0.000 0.855 1036 Q CB -0.318 28.410 28.738 -0.017 0.000 0.918 1036 Q HN 0.689 nan 8.270 nan 0.000 0.444 1037 A N 1.323 124.097 122.820 -0.077 0.000 1.877 1037 A HA -0.147 4.173 4.320 0.000 0.000 0.216 1037 A C 2.311 179.751 177.584 -0.240 0.000 1.186 1037 A CA 1.651 53.607 52.037 -0.135 0.000 0.620 1037 A CB -0.766 18.185 19.000 -0.082 0.000 0.822 1037 A HN 0.390 nan 8.150 nan 0.000 0.443 1038 A N -0.264 122.413 122.820 -0.238 0.000 1.902 1038 A HA -0.200 4.120 4.320 0.000 0.000 0.217 1038 A C 1.839 179.411 177.584 -0.019 0.000 1.181 1038 A CA 2.181 54.095 52.037 -0.206 0.000 0.623 1038 A CB -0.738 18.088 19.000 -0.291 0.000 0.818 1038 A HN 0.549 nan 8.150 nan 0.000 0.443 1039 D N -1.017 119.346 120.400 -0.062 0.000 2.117 1039 D HA -0.165 4.476 4.640 0.000 0.000 0.197 1039 D C 2.175 178.452 176.300 -0.037 0.000 0.987 1039 D CA 1.378 55.349 54.000 -0.049 0.000 0.829 1039 D CB -0.114 40.661 40.800 -0.041 0.000 0.961 1039 D HN 0.403 nan 8.370 nan 0.000 0.460 1040 R N -0.308 120.158 120.500 -0.056 0.000 2.092 1040 R HA -0.026 4.314 4.340 0.000 0.000 0.231 1040 R C 2.075 178.324 176.300 -0.085 0.000 1.119 1040 R CA 0.824 56.884 56.100 -0.065 0.000 0.970 1040 R CB -0.129 30.127 30.300 -0.073 0.000 0.864 1040 R HN 0.280 nan 8.270 nan 0.000 0.440 1041 L N -1.295 119.865 121.223 -0.105 0.000 2.418 1041 L HA 0.184 4.524 4.340 0.000 0.000 0.218 1041 L C 1.337 178.213 176.870 0.011 0.000 1.125 1041 L CA 0.735 55.500 54.840 -0.125 0.000 0.835 1041 L CB 0.393 42.289 42.059 -0.271 0.000 0.953 1041 L HN 0.572 nan 8.230 nan 0.000 0.454 1042 G N -2.004 106.839 108.800 0.071 0.000 2.205 1042 G HA2 -0.236 3.724 3.960 0.000 0.000 0.180 1042 G HA3 -0.236 3.724 3.960 0.000 0.000 0.180 1042 G C -0.047 174.858 174.900 0.009 0.000 1.004 1042 G CA -0.727 44.398 45.100 0.042 0.000 0.670 1042 G HN 0.141 nan 8.290 nan 0.000 0.496 1043 Y N 1.504 121.844 120.300 0.067 0.000 2.511 1043 Y HA 0.334 4.884 4.550 0.000 0.000 0.332 1043 Y C 2.214 177.981 175.900 -0.222 0.000 1.177 1043 Y CA 1.246 59.339 58.100 -0.013 0.000 1.422 1043 Y CB 0.890 39.356 38.460 0.009 0.000 1.271 1043 Y HN 0.059 nan 8.280 nan 0.000 0.550 1044 T N 1.156 115.574 114.554 -0.227 0.000 2.857 1044 T HA 0.135 4.485 4.350 0.000 0.000 0.266 1044 T C 0.776 175.058 174.700 -0.696 0.000 1.048 1044 T CA 1.227 63.066 62.100 -0.436 0.000 1.139 1044 T CB -0.159 68.423 68.868 -0.476 0.000 0.874 1044 T HN 0.945 nan 8.240 nan 0.000 0.455 1045 G N -0.633 107.563 108.800 -1.006 0.000 2.619 1045 G HA2 0.541 4.501 3.960 0.000 0.000 0.305 1045 G HA3 0.541 4.501 3.960 0.000 0.000 0.305 1045 G C -2.188 172.491 174.900 -0.368 0.000 1.330 1045 G CA -0.450 44.136 45.100 -0.857 0.000 0.789 1045 G HN 0.055 nan 8.290 nan 0.000 0.487 1046 V N 0.281 120.135 119.914 -0.100 0.000 2.686 1046 V HA 0.539 4.659 4.120 0.000 0.000 0.306 1046 V C -0.924 175.227 176.094 0.095 0.000 1.065 1046 V CA -0.717 61.624 62.300 0.070 0.000 0.894 1046 V CB 1.715 33.535 31.823 -0.004 0.000 1.004 1046 V HN 0.888 nan 8.190 nan 0.000 0.424 1047 L N 7.413 128.678 121.223 0.069 0.000 2.319 1047 L HA 0.583 4.924 4.340 0.000 0.000 0.280 1047 L C -0.520 176.110 176.870 -0.400 0.000 1.099 1047 L CA 0.596 55.374 54.840 -0.104 0.000 0.828 1047 L CB 0.619 42.664 42.059 -0.023 0.000 1.150 1047 L HN 0.523 nan 8.230 nan 0.000 0.442 1048 I N 8.075 128.446 120.570 -0.332 0.000 2.355 1048 I HA 0.376 4.546 4.170 0.000 0.000 0.288 1048 I C -2.030 173.886 176.117 -0.336 0.000 0.999 1048 I CA -1.855 59.214 61.300 -0.385 0.000 1.163 1048 I CB 1.514 39.372 38.000 -0.237 0.000 1.316 1048 I HN 0.556 nan 8.210 nan 0.000 0.454 1049 P HA 0.062 nan 4.420 nan 0.000 0.272 1049 P C -0.366 176.882 177.300 -0.087 0.000 1.230 1049 P CA -0.032 62.965 63.100 -0.171 0.000 0.788 1049 P CB 1.434 33.090 31.700 -0.073 0.000 0.949 1050 T N -0.898 113.626 114.554 -0.050 0.000 2.932 1050 T HA 0.698 5.048 4.350 0.000 0.000 0.289 1050 T C -0.540 174.152 174.700 -0.014 0.000 1.039 1050 T CA -0.028 62.055 62.100 -0.028 0.000 1.024 1050 T CB 0.582 69.424 68.868 -0.043 0.000 1.090 1050 T HN 0.821 nan 8.240 nan 0.000 0.496 1051 G N 2.256 111.051 108.800 -0.008 0.000 2.326 1051 G HA2 0.090 4.050 3.960 0.000 0.000 0.478 1051 G HA3 0.090 4.050 3.960 0.000 0.000 0.478 1051 G C 0.124 175.027 174.900 0.006 0.000 1.551 1051 G CA -0.230 44.865 45.100 -0.007 0.000 0.946 1051 G HN 0.877 nan 8.290 nan 0.000 0.671 1052 R N -0.324 120.176 120.500 -0.000 0.000 2.339 1052 R HA 0.054 4.394 4.340 0.000 0.000 0.199 1052 R C 1.667 177.981 176.300 0.023 0.000 1.018 1052 R CA 1.467 57.571 56.100 0.007 0.000 1.036 1052 R CB -0.118 30.178 30.300 -0.005 0.000 0.899 1052 R HN 0.727 nan 8.270 nan 0.000 0.473 1053 S N -0.872 114.850 115.700 0.037 0.000 2.540 1053 S HA 0.168 4.638 4.470 0.000 0.000 0.218 1053 S C 0.547 175.201 174.600 0.091 0.000 0.977 1053 S CA -0.711 57.526 58.200 0.062 0.000 0.918 1053 S CB 0.090 63.334 63.200 0.073 0.000 0.806 1053 S HN 0.298 nan 8.310 nan 0.000 0.496 1054 C N 3.036 122.382 119.300 0.076 0.000 2.376 1054 C HA 0.576 5.036 4.460 0.000 0.000 0.335 1054 C C 0.501 175.523 174.990 0.054 0.000 1.229 1054 C CA -1.095 57.973 59.018 0.084 0.000 1.867 1054 C CB 1.032 28.814 27.740 0.071 0.000 2.319 1054 C HN 0.442 nan 8.230 nan 0.000 0.515 1055 E N 1.695 121.924 120.200 0.049 0.000 2.437 1055 E HA -0.032 4.318 4.350 0.000 0.000 0.263 1055 E C 0.095 176.719 176.600 0.040 0.000 1.030 1055 E CA 0.472 56.896 56.400 0.040 0.000 0.934 1055 E CB 0.450 30.172 29.700 0.036 0.000 0.943 1055 E HN 0.678 nan 8.360 nan 0.000 0.444 1056 D N 1.250 121.682 120.400 0.052 0.000 2.487 1056 D HA -0.027 4.613 4.640 0.000 0.000 0.243 1056 D C 0.654 177.008 176.300 0.089 0.000 1.154 1056 D CA 0.165 54.215 54.000 0.084 0.000 0.876 1056 D CB 0.925 41.784 40.800 0.099 0.000 1.161 1056 D HN 0.429 nan 8.370 nan 0.000 0.478 1057 A N 4.302 127.174 122.820 0.086 0.000 1.969 1057 A HA -0.170 4.150 4.320 0.000 0.000 0.218 1057 A C 1.753 179.336 177.584 -0.002 0.000 1.169 1057 A CA 0.698 52.732 52.037 -0.006 0.000 0.635 1057 A CB -0.574 18.368 19.000 -0.097 0.000 0.810 1057 A HN 0.786 nan 8.150 nan 0.000 0.445 1058 W N -0.410 120.884 121.300 -0.010 0.000 2.355 1058 W HA -0.063 4.597 4.660 -0.000 0.000 0.309 1058 W C 1.874 178.373 176.519 -0.033 0.000 1.206 1058 W CA 0.813 58.163 57.345 0.007 0.000 1.284 1058 W CB -0.709 28.776 29.460 0.041 0.000 1.145 1058 W HN 0.213 nan 8.180 nan 0.000 0.502 1059 L N -0.360 120.992 121.223 0.215 0.000 2.017 1059 L HA -0.202 4.139 4.340 0.000 0.000 0.208 1059 L C 2.311 179.198 176.870 0.027 0.000 1.073 1059 L CA 1.444 56.341 54.840 0.095 0.000 0.745 1059 L CB -1.772 40.332 42.059 0.075 0.000 0.894 1059 L HN -0.144 nan 8.230 nan 0.000 0.432 1060 V N -0.341 119.580 119.914 0.011 0.000 2.343 1060 V HA -0.304 3.817 4.120 0.000 0.000 0.247 1060 V C 2.676 178.687 176.094 -0.137 0.000 1.051 1060 V CA 1.659 63.942 62.300 -0.028 0.000 1.036 1060 V CB -1.197 30.598 31.823 -0.047 0.000 0.654 1060 V HN 0.502 nan 8.190 nan 0.000 0.451 1061 A N 0.022 122.716 122.820 -0.210 0.000 1.873 1061 A HA -0.057 4.264 4.320 0.000 0.000 0.215 1061 A C 2.405 179.634 177.584 -0.592 0.000 1.186 1061 A CA 1.915 53.656 52.037 -0.494 0.000 0.616 1061 A CB -0.844 17.927 19.000 -0.383 0.000 0.823 1061 A HN 0.570 nan 8.150 nan 0.000 0.442 1062 A N 0.244 122.908 122.820 -0.260 0.000 2.019 1062 A HA -0.038 4.282 4.320 0.000 0.000 0.219 1062 A C 2.293 179.788 177.584 -0.149 0.000 1.164 1062 A CA 2.009 53.943 52.037 -0.171 0.000 0.644 1062 A CB -0.799 18.192 19.000 -0.015 0.000 0.805 1062 A HN 1.028 nan 8.150 nan 0.000 0.449 1063 S N -1.749 113.885 115.700 -0.110 0.000 2.603 1063 S HA 0.117 4.587 4.470 0.000 0.000 0.220 1063 S C 1.178 175.809 174.600 0.051 0.000 0.967 1063 S CA 0.536 58.724 58.200 -0.021 0.000 0.920 1063 S CB -0.117 63.108 63.200 0.042 0.000 0.773 1063 S HN 0.313 nan 8.310 nan 0.000 0.529 1064 M N 0.494 120.010 119.600 -0.141 0.000 2.356 1064 M HA 0.460 4.940 4.480 0.000 0.000 0.262 1064 M C 1.177 177.430 176.300 -0.079 0.000 1.097 1064 M CA -0.249 54.983 55.300 -0.112 0.000 0.991 1064 M CB -0.764 31.704 32.600 -0.219 0.000 1.450 1064 M HN 0.327 nan 8.290 nan 0.000 0.495 1065 I N 1.999 122.497 120.570 -0.121 0.000 2.163 1065 I HA -0.156 4.014 4.170 0.000 0.000 0.240 1065 I C -0.317 175.825 176.117 0.043 0.000 1.081 1065 I CA 1.557 62.848 61.300 -0.016 0.000 1.353 1065 I CB -1.175 36.800 38.000 -0.042 0.000 1.054 1065 I HN 0.138 nan 8.210 nan 0.000 0.407 1066 P HA -0.037 nan 4.420 nan 0.000 0.237 1066 P C 1.163 178.488 177.300 0.043 0.000 1.178 1066 P CA 1.055 64.173 63.100 0.031 0.000 0.766 1066 P CB 0.010 31.720 31.700 0.017 0.000 0.876 1067 V N -2.969 116.979 119.914 0.055 0.000 3.647 1067 V HA 0.191 4.312 4.120 0.000 0.000 0.279 1067 V C 0.886 177.017 176.094 0.061 0.000 1.314 1067 V CA 0.495 62.828 62.300 0.056 0.000 1.125 1067 V CB -1.094 30.765 31.823 0.059 0.000 0.907 1067 V HN 0.168 nan 8.190 nan 0.000 0.434 1068 T N -3.235 111.374 114.554 0.092 0.000 2.907 1068 T HA 0.643 4.994 4.350 0.000 0.000 0.290 1068 T C 0.098 174.838 174.700 0.067 0.000 1.066 1068 T CA -0.557 61.595 62.100 0.087 0.000 1.012 1068 T CB 2.641 71.601 68.868 0.154 0.000 1.184 1068 T HN 0.052 nan 8.240 nan 0.000 0.522 1069 Q N 0.080 119.895 119.800 0.025 0.000 2.404 1069 Q HA 0.204 4.544 4.340 0.000 0.000 0.262 1069 Q C 1.603 177.594 176.000 -0.016 0.000 0.846 1069 Q CA 0.481 56.291 55.803 0.011 0.000 0.978 1069 Q CB 0.492 29.231 28.738 0.002 0.000 1.156 1069 Q HN 0.905 nan 8.270 nan 0.000 0.548 1070 R N -0.994 119.476 120.500 -0.051 0.000 2.517 1070 R HA 0.383 4.724 4.340 0.000 0.000 0.265 1070 R C 0.768 176.963 176.300 -0.174 0.000 0.921 1070 R CA -0.280 55.767 56.100 -0.089 0.000 1.054 1070 R CB 0.381 30.636 30.300 -0.074 0.000 1.340 1070 R HN -0.093 nan 8.270 nan 0.000 0.551 1071 L N 2.431 123.517 121.223 -0.228 0.000 2.483 1071 L HA 0.163 4.504 4.340 0.000 0.000 0.276 1071 L C -0.185 176.260 176.870 -0.708 0.000 1.213 1071 L CA 0.532 55.121 54.840 -0.417 0.000 0.843 1071 L CB 0.700 42.499 42.059 -0.433 0.000 1.107 1071 L HN 0.263 nan 8.230 nan 0.000 0.487 1072 K N 3.655 123.619 120.400 -0.727 0.000 2.156 1072 K HA 0.477 4.797 4.320 0.000 0.000 0.250 1072 K C -1.379 174.656 176.600 -0.942 0.000 0.955 1072 K CA -0.487 55.368 56.287 -0.720 0.000 0.855 1072 K CB 1.612 33.884 32.500 -0.380 0.000 1.101 1072 K HN 0.222 nan 8.250 nan 0.000 0.434 1073 F N 2.015 121.855 119.950 -0.185 0.000 2.449 1073 F HA 0.268 4.795 4.527 0.000 0.000 0.342 1073 F C -0.196 175.415 175.800 -0.315 0.000 1.127 1073 F CA -1.117 56.754 58.000 -0.216 0.000 0.975 1073 F CB 0.993 39.859 39.000 -0.223 0.000 1.146 1073 F HN 0.177 nan 8.300 nan 0.000 0.444 1074 L N 5.699 126.842 121.223 -0.133 0.000 2.288 1074 L HA 0.487 4.827 4.340 0.000 0.000 0.283 1074 L C -0.773 175.907 176.870 -0.317 0.000 1.072 1074 L CA -0.307 54.362 54.840 -0.285 0.000 0.862 1074 L CB 0.204 42.142 42.059 -0.203 0.000 1.245 1074 L HN 0.375 nan 8.230 nan 0.000 0.432 1075 V N 5.098 124.742 119.914 -0.450 0.000 2.461 1075 V HA 0.549 4.669 4.120 0.000 0.000 0.275 1075 V C 0.865 176.768 176.094 -0.319 0.000 1.047 1075 V CA -0.380 61.651 62.300 -0.448 0.000 0.955 1075 V CB 1.014 32.379 31.823 -0.764 0.000 0.988 1075 V HN 0.896 nan 8.190 nan 0.000 0.471 1076 A N 5.788 128.463 122.820 -0.241 0.000 2.450 1076 A HA 0.602 4.923 4.320 0.000 0.000 0.255 1076 A C -0.655 176.883 177.584 -0.076 0.000 1.096 1076 A CA -0.095 51.847 52.037 -0.158 0.000 0.778 1076 A CB 0.189 19.106 19.000 -0.137 0.000 1.031 1076 A HN 0.768 nan 8.150 nan 0.000 0.494 1077 L N 3.039 124.224 121.223 -0.063 0.000 2.343 1077 L HA 0.462 4.803 4.340 0.000 0.000 0.278 1077 L C -0.093 176.678 176.870 -0.164 0.000 0.996 1077 L CA -0.170 54.669 54.840 -0.002 0.000 0.831 1077 L CB 1.429 43.495 42.059 0.012 0.000 1.232 1077 L HN 0.710 nan 8.230 nan 0.000 0.413 1078 R N 6.479 126.878 120.500 -0.168 0.000 2.235 1078 R HA 0.273 4.613 4.340 0.000 0.000 0.338 1078 R C -1.792 174.234 176.300 -0.457 0.000 1.087 1078 R CA -1.507 54.430 56.100 -0.271 0.000 0.948 1078 R CB 0.817 31.002 30.300 -0.192 0.000 1.099 1078 R HN 0.515 nan 8.270 nan 0.000 0.483 1079 P HA -0.247 nan 4.420 nan 0.000 0.209 1079 P C 1.029 177.888 177.300 -0.735 0.000 1.167 1079 P CA 1.438 63.767 63.100 -1.285 0.000 0.941 1079 P CB 0.221 31.369 31.700 -0.921 0.000 0.787 1080 S N -0.620 114.829 115.700 -0.418 0.000 2.409 1080 S HA -0.203 4.267 4.470 0.000 0.000 0.237 1080 S C 1.789 176.289 174.600 -0.166 0.000 1.060 1080 S CA 1.950 60.010 58.200 -0.234 0.000 1.052 1080 S CB -1.576 61.489 63.200 -0.226 0.000 0.871 1080 S HN 0.206 nan 8.310 nan 0.000 0.465 1081 V N -0.451 119.348 119.914 -0.190 0.000 3.623 1081 V HA 0.250 4.371 4.120 0.000 0.000 0.271 1081 V C 0.614 176.659 176.094 -0.082 0.000 1.248 1081 V CA 0.669 62.893 62.300 -0.126 0.000 1.156 1081 V CB -1.078 30.669 31.823 -0.128 0.000 0.870 1081 V HN 0.546 nan 8.190 nan 0.000 0.453 1082 T N -2.979 111.534 114.554 -0.068 0.000 2.883 1082 T HA 0.539 4.889 4.350 0.000 0.000 0.301 1082 T C -0.305 174.488 174.700 0.155 0.000 1.158 1082 T CA 0.057 62.163 62.100 0.011 0.000 1.007 1082 T CB 1.536 70.391 68.868 -0.023 0.000 1.186 1082 T HN 0.294 nan 8.240 nan 0.000 0.499 1083 S N 2.083 117.856 115.700 0.121 0.000 2.562 1083 S HA 0.272 4.742 4.470 0.000 0.000 0.281 1083 S C -1.054 173.658 174.600 0.187 0.000 1.333 1083 S CA -1.347 56.933 58.200 0.134 0.000 1.052 1083 S CB 0.392 63.616 63.200 0.040 0.000 0.884 1083 S HN 0.657 nan 8.310 nan 0.000 0.506 1084 P HA -0.025 nan 4.420 nan 0.000 0.221 1084 P C 1.198 178.391 177.300 -0.179 0.000 1.150 1084 P CA 1.032 63.892 63.100 -0.400 0.000 0.800 1084 P CB -0.204 31.088 31.700 -0.679 0.000 0.787 1085 T N 0.300 114.786 114.554 -0.114 0.000 2.732 1085 T HA -0.059 4.292 4.350 0.000 0.000 0.261 1085 T C 2.039 176.693 174.700 -0.078 0.000 1.040 1085 T CA 1.243 63.275 62.100 -0.113 0.000 1.145 1085 T CB -0.975 67.834 68.868 -0.098 0.000 0.866 1085 T HN -0.131 nan 8.240 nan 0.000 0.427 1086 V N 2.139 122.024 119.914 -0.047 0.000 2.233 1086 V HA -0.219 3.901 4.120 0.000 0.000 0.247 1086 V C 2.964 179.026 176.094 -0.053 0.000 1.050 1086 V CA 1.879 64.146 62.300 -0.055 0.000 1.010 1086 V CB -1.352 30.436 31.823 -0.058 0.000 0.637 1086 V HN 0.550 nan 8.190 nan 0.000 0.444 1087 A N -0.306 122.524 122.820 0.017 0.000 2.084 1087 A HA -0.139 4.181 4.320 0.000 0.000 0.221 1087 A C 2.265 180.021 177.584 0.286 0.000 1.161 1087 A CA 2.218 54.325 52.037 0.117 0.000 0.653 1087 A CB -0.605 18.624 19.000 0.382 0.000 0.802 1087 A HN 0.649 nan 8.150 nan 0.000 0.457 1088 A N -0.881 122.008 122.820 0.115 0.000 2.030 1088 A HA 0.092 4.413 4.320 0.000 0.000 0.215 1088 A C 2.155 179.691 177.584 -0.079 0.000 1.164 1088 A CA 0.908 52.859 52.037 -0.143 0.000 0.697 1088 A CB -0.195 18.552 19.000 -0.422 0.000 0.827 1088 A HN 0.521 nan 8.150 nan 0.000 0.457 1089 R N -0.530 119.957 120.500 -0.022 0.000 2.100 1089 R HA -0.008 4.332 4.340 0.000 0.000 0.220 1089 R C 2.291 178.678 176.300 0.145 0.000 1.091 1089 R CA 1.276 57.417 56.100 0.068 0.000 0.986 1089 R CB -0.203 30.125 30.300 0.045 0.000 0.888 1089 R HN 0.612 nan 8.270 nan 0.000 0.444 1090 Q N 0.151 119.981 119.800 0.051 0.000 2.079 1090 Q HA -0.058 4.283 4.340 0.000 0.000 0.200 1090 Q C 2.186 178.454 176.000 0.447 0.000 0.974 1090 Q CA 1.465 57.303 55.803 0.060 0.000 0.840 1090 Q CB -0.076 28.372 28.738 -0.483 0.000 0.898 1090 Q HN 0.333 nan 8.270 nan 0.000 0.430 1091 A N 1.070 124.168 122.820 0.464 0.000 1.933 1091 A HA -0.106 4.214 4.320 0.000 0.000 0.218 1091 A C 2.254 180.084 177.584 0.411 0.000 1.175 1091 A CA 1.551 53.865 52.037 0.462 0.000 0.628 1091 A CB -0.629 18.372 19.000 0.002 0.000 0.814 1091 A HN 0.390 nan 8.150 nan 0.000 0.444 1092 A N -1.102 121.870 122.820 0.253 0.000 1.897 1092 A HA -0.035 4.286 4.320 0.000 0.000 0.215 1092 A C 2.295 180.019 177.584 0.233 0.000 1.181 1092 A CA 2.136 54.312 52.037 0.231 0.000 0.620 1092 A CB -1.148 17.998 19.000 0.243 0.000 0.821 1092 A HN 0.404 nan 8.150 nan 0.000 0.443 1093 T N 0.135 114.822 114.554 0.222 0.000 2.777 1093 T HA -0.113 4.238 4.350 0.000 0.000 0.266 1093 T C 1.819 176.614 174.700 0.158 0.000 1.040 1093 T CA 1.453 63.617 62.100 0.106 0.000 1.141 1093 T CB -0.335 68.577 68.868 0.073 0.000 0.868 1093 T HN 0.281 nan 8.240 nan 0.000 0.444 1094 L N 1.392 122.790 121.223 0.292 0.000 2.083 1094 L HA -0.075 4.265 4.340 0.000 0.000 0.209 1094 L C 2.001 179.003 176.870 0.220 0.000 1.083 1094 L CA 1.825 56.834 54.840 0.282 0.000 0.752 1094 L CB -0.529 41.786 42.059 0.426 0.000 0.899 1094 L HN 0.107 nan 8.230 nan 0.000 0.433 1095 D N -1.212 119.345 120.400 0.261 0.000 2.123 1095 D HA -0.125 4.515 4.640 0.000 0.000 0.200 1095 D C 2.302 178.681 176.300 0.131 0.000 0.976 1095 D CA 1.054 55.175 54.000 0.202 0.000 0.831 1095 D CB 0.149 41.099 40.800 0.250 0.000 0.974 1095 D HN 0.230 nan 8.370 nan 0.000 0.469 1096 R N -0.258 120.309 120.500 0.111 0.000 2.061 1096 R HA 0.022 4.363 4.340 0.000 0.000 0.230 1096 R C 2.522 178.846 176.300 0.040 0.000 1.140 1096 R CA 0.868 57.002 56.100 0.056 0.000 0.940 1096 R CB -0.451 29.854 30.300 0.008 0.000 0.839 1096 R HN 0.220 nan 8.270 nan 0.000 0.429 1097 L N 0.884 122.128 121.223 0.036 0.000 2.129 1097 L HA -0.175 4.165 4.340 0.000 0.000 0.212 1097 L C 2.207 179.104 176.870 0.045 0.000 1.087 1097 L CA 1.571 56.426 54.840 0.025 0.000 0.757 1097 L CB -0.504 41.567 42.059 0.020 0.000 0.896 1097 L HN 0.337 nan 8.230 nan 0.000 0.434 1098 S N -1.948 113.798 115.700 0.077 0.000 2.556 1098 S HA 0.025 4.495 4.470 0.000 0.000 0.216 1098 S C 0.835 175.483 174.600 0.079 0.000 0.970 1098 S CA 0.169 58.431 58.200 0.103 0.000 0.912 1098 S CB -0.119 63.188 63.200 0.179 0.000 0.790 1098 S HN 0.528 nan 8.310 nan 0.000 0.504 1099 N N 1.082 119.820 118.700 0.062 0.000 2.780 1099 N HA -0.119 4.621 4.740 0.000 0.000 0.247 1099 N C 0.525 176.062 175.510 0.045 0.000 1.076 1099 N CA 1.139 54.217 53.050 0.046 0.000 0.688 1099 N CB -1.623 36.884 38.487 0.033 0.000 0.957 1099 N HN 1.292 nan 8.380 nan 0.000 0.551 1100 G N -0.210 108.627 108.800 0.061 0.000 2.165 1100 G HA2 -0.281 3.679 3.960 0.000 0.000 0.226 1100 G HA3 -0.281 3.679 3.960 0.000 0.000 0.226 1100 G C 0.475 175.393 174.900 0.031 0.000 1.035 1100 G CA 0.266 45.399 45.100 0.055 0.000 0.744 1100 G HN 0.597 nan 8.290 nan 0.000 0.501 1101 R N -0.532 119.991 120.500 0.038 0.000 2.577 1101 R HA 0.529 4.869 4.340 0.000 0.000 0.344 1101 R C 1.033 177.312 176.300 -0.034 0.000 1.037 1101 R CA 0.381 56.467 56.100 -0.023 0.000 1.102 1101 R CB 0.921 31.207 30.300 -0.024 0.000 1.313 1101 R HN 0.561 nan 8.270 nan 0.000 0.561 1102 A N 1.216 124.021 122.820 -0.024 0.000 2.327 1102 A HA 0.581 4.901 4.320 0.000 0.000 0.283 1102 A C -0.825 176.506 177.584 -0.422 0.000 1.127 1102 A CA -0.170 51.738 52.037 -0.216 0.000 0.810 1102 A CB 0.649 19.626 19.000 -0.038 0.000 1.066 1102 A HN 0.108 nan 8.150 nan 0.000 0.492 1103 L N 1.401 122.122 121.223 -0.837 0.000 2.482 1103 L HA 0.693 5.033 4.340 0.000 0.000 0.263 1103 L C -1.414 174.774 176.870 -1.136 0.000 0.957 1103 L CA -0.104 54.305 54.840 -0.718 0.000 0.836 1103 L CB 1.763 43.515 42.059 -0.512 0.000 1.324 1103 L HN 0.663 nan 8.230 nan 0.000 0.406 1104 F N 1.805 121.621 119.950 -0.224 0.000 2.532 1104 F HA 0.535 5.062 4.527 0.000 0.000 0.321 1104 F C 0.072 175.712 175.800 -0.267 0.000 1.089 1104 F CA -0.726 57.119 58.000 -0.259 0.000 0.926 1104 F CB 1.947 40.820 39.000 -0.210 0.000 1.168 1104 F HN 0.460 nan 8.300 nan 0.000 0.459 1105 N N 2.333 120.969 118.700 -0.105 0.000 2.442 1105 N HA 0.453 5.193 4.740 0.000 0.000 0.274 1105 N C -1.740 173.698 175.510 -0.120 0.000 1.002 1105 N CA -0.462 52.525 53.050 -0.105 0.000 0.910 1105 N CB 0.833 39.216 38.487 -0.174 0.000 1.244 1105 N HN 0.382 nan 8.380 nan 0.000 0.492 1106 L N 3.074 124.240 121.223 -0.095 0.000 2.367 1106 L HA 0.424 4.764 4.340 0.000 0.000 0.275 1106 L C -0.221 176.453 176.870 -0.328 0.000 1.129 1106 L CA -0.233 54.519 54.840 -0.147 0.000 0.839 1106 L CB 0.950 43.047 42.059 0.063 0.000 1.133 1106 L HN 0.359 nan 8.230 nan 0.000 0.453 1107 V N 2.181 121.911 119.914 -0.306 0.000 2.925 1107 V HA 0.620 4.740 4.120 0.000 0.000 0.311 1107 V C 0.402 176.309 176.094 -0.312 0.000 1.104 1107 V CA -0.059 62.040 62.300 -0.336 0.000 0.954 1107 V CB 2.097 33.777 31.823 -0.237 0.000 1.022 1107 V HN 0.941 nan 8.190 nan 0.000 0.427 1108 T N -1.187 113.174 114.554 -0.321 0.000 3.176 1108 T HA 0.420 4.770 4.350 0.000 0.000 0.259 1108 T C 0.974 175.516 174.700 -0.263 0.000 0.978 1108 T CA 0.461 62.344 62.100 -0.362 0.000 1.050 1108 T CB 0.197 68.700 68.868 -0.609 0.000 1.136 1108 T HN 1.996 nan 8.240 nan 0.000 0.465 1109 G N 1.425 110.117 108.800 -0.181 0.000 3.255 1109 G HA2 -0.114 3.846 3.960 0.000 0.000 0.673 1109 G HA3 -0.114 3.846 3.960 0.000 0.000 0.673 1109 G C 0.298 175.186 174.900 -0.019 0.000 0.995 1109 G CA 0.282 45.341 45.100 -0.068 0.000 0.988 1109 G HN 0.606 nan 8.290 nan 0.000 0.540 1110 S N 1.661 117.413 115.700 0.087 0.000 2.303 1110 S HA 0.130 4.600 4.470 0.000 0.000 0.170 1110 S C 0.960 175.599 174.600 0.065 0.000 1.226 1110 S CA 1.165 59.463 58.200 0.162 0.000 1.750 1110 S CB -0.108 63.225 63.200 0.222 0.000 0.714 1110 S HN 0.762 nan 8.310 nan 0.000 0.383 1111 D N 2.721 123.145 120.400 0.040 0.000 2.382 1111 D HA 0.356 4.997 4.640 0.000 0.000 0.245 1111 D C -1.465 174.831 176.300 -0.007 0.000 1.120 1111 D CA -0.904 53.100 54.000 0.007 0.000 0.890 1111 D CB 0.389 41.185 40.800 -0.007 0.000 1.201 1111 D HN 0.376 nan 8.370 nan 0.000 0.433 1112 P HA 0.139 nan 4.420 nan 0.000 0.317 1112 P C -0.271 177.020 177.300 -0.016 0.000 1.307 1112 P CA -0.451 62.641 63.100 -0.013 0.000 0.749 1112 P CB 0.703 32.393 31.700 -0.016 0.000 1.377 1113 Q N -0.581 119.210 119.800 -0.016 0.000 2.225 1113 Q HA -0.012 4.328 4.340 0.000 0.000 0.222 1113 Q C 1.528 177.491 176.000 -0.062 0.000 0.887 1113 Q CA -0.026 55.762 55.803 -0.025 0.000 0.958 1113 Q CB -0.223 28.517 28.738 0.003 0.000 1.058 1113 Q HN 0.439 nan 8.270 nan 0.000 0.459 1114 E N 0.119 120.283 120.200 -0.060 0.000 2.233 1114 E HA -0.237 4.113 4.350 0.000 0.000 0.199 1114 E C 1.107 177.632 176.600 -0.125 0.000 1.004 1114 E CA 0.882 57.238 56.400 -0.074 0.000 0.819 1114 E CB 0.004 29.669 29.700 -0.059 0.000 0.738 1114 E HN 0.448 nan 8.360 nan 0.000 0.478 1115 L N 0.850 121.981 121.223 -0.154 0.000 2.043 1115 L HA -0.234 4.107 4.340 0.000 0.000 0.212 1115 L C 2.734 179.382 176.870 -0.371 0.000 1.075 1115 L CA 1.910 56.612 54.840 -0.230 0.000 0.752 1115 L CB -1.911 40.013 42.059 -0.226 0.000 0.891 1115 L HN 0.328 nan 8.230 nan 0.000 0.432 1116 A N 0.478 123.051 122.820 -0.412 0.000 1.873 1116 A HA -0.181 4.140 4.320 0.000 0.000 0.218 1116 A C 2.450 179.835 177.584 -0.332 0.000 1.193 1116 A CA 1.958 53.628 52.037 -0.611 0.000 0.629 1116 A CB -1.335 17.544 19.000 -0.202 0.000 0.826 1116 A HN 0.444 nan 8.150 nan 0.000 0.447 1117 G N -1.166 107.537 108.800 -0.163 0.000 2.516 1117 G HA2 -0.165 3.796 3.960 0.000 0.000 0.221 1117 G HA3 -0.165 3.796 3.960 0.000 0.000 0.221 1117 G C 0.545 175.388 174.900 -0.094 0.000 1.107 1117 G CA 1.366 46.415 45.100 -0.085 0.000 0.747 1117 G HN 0.520 nan 8.290 nan 0.000 0.567 1118 D N -0.966 119.342 120.400 -0.154 0.000 2.538 1118 D HA 0.363 5.003 4.640 0.000 0.000 0.231 1118 D C 1.365 177.578 176.300 -0.145 0.000 1.229 1118 D CA 0.445 54.370 54.000 -0.125 0.000 0.828 1118 D CB 0.098 40.826 40.800 -0.120 0.000 1.035 1118 D HN 0.217 nan 8.370 nan 0.000 0.495 1119 G N 0.467 109.150 108.800 -0.196 0.000 2.246 1119 G HA2 -0.228 3.732 3.960 0.000 0.000 0.273 1119 G HA3 -0.228 3.732 3.960 0.000 0.000 0.273 1119 G C -0.003 174.771 174.900 -0.210 0.000 1.055 1119 G CA 0.231 45.260 45.100 -0.119 0.000 0.851 1119 G HN 0.285 nan 8.290 nan 0.000 0.500 1120 V N -0.551 119.029 119.914 -0.556 0.000 2.531 1120 V HA 0.716 4.836 4.120 0.000 0.000 0.301 1120 V C 0.023 175.732 176.094 -0.642 0.000 1.034 1120 V CA -0.638 61.437 62.300 -0.375 0.000 0.865 1120 V CB 1.562 33.236 31.823 -0.249 0.000 0.995 1120 V HN 0.246 nan 8.190 nan 0.000 0.424 1121 F N 3.163 123.108 119.950 -0.007 0.000 2.815 1121 F HA 0.444 4.971 4.527 0.000 0.000 0.323 1121 F C 0.487 176.290 175.800 0.005 0.000 1.151 1121 F CA -0.391 57.611 58.000 0.002 0.000 1.191 1121 F CB 0.365 39.373 39.000 0.013 0.000 1.069 1121 F HN 0.245 nan 8.300 nan 0.000 0.514 1122 L N 1.225 122.506 121.223 0.097 0.000 2.483 1122 L HA 0.089 4.429 4.340 0.000 0.000 0.275 1122 L C 0.449 177.355 176.870 0.060 0.000 1.220 1122 L CA -0.038 54.833 54.840 0.051 0.000 0.833 1122 L CB 0.317 42.326 42.059 -0.084 0.000 1.102 1122 L HN 0.093 nan 8.230 nan 0.000 0.490 1123 D N -0.557 119.892 120.400 0.083 0.000 2.360 1123 D HA -0.024 4.616 4.640 0.000 0.000 0.242 1123 D C 0.812 177.193 176.300 0.134 0.000 1.184 1123 D CA -0.204 53.867 54.000 0.118 0.000 0.930 1123 D CB 0.634 41.511 40.800 0.128 0.000 1.161 1123 D HN 0.496 nan 8.370 nan 0.000 0.447 1124 H N 0.406 119.526 119.070 0.083 0.000 2.426 1124 H HA -0.166 4.390 4.556 0.001 0.000 0.298 1124 H C 1.964 177.416 175.328 0.206 0.000 1.107 1124 H CA 2.197 58.327 56.048 0.136 0.000 1.298 1124 H CB 0.201 30.050 29.762 0.144 0.000 1.377 1124 H HN 0.246 nan 8.280 nan 0.000 0.519 1125 S N -0.791 115.039 115.700 0.217 0.000 2.436 1125 S HA -0.062 4.409 4.470 0.000 0.000 0.228 1125 S C 1.837 176.519 174.600 0.137 0.000 1.014 1125 S CA 0.944 59.249 58.200 0.176 0.000 0.950 1125 S CB -0.011 63.284 63.200 0.159 0.000 0.784 1125 S HN 0.590 nan 8.310 nan 0.000 0.504 1126 E N 0.817 121.064 120.200 0.080 0.000 2.112 1126 E HA -0.101 4.250 4.350 0.000 0.000 0.190 1126 E C 2.319 178.753 176.600 -0.277 0.000 0.979 1126 E CA 0.908 57.282 56.400 -0.043 0.000 0.814 1126 E CB -0.082 29.609 29.700 -0.016 0.000 0.762 1126 E HN 0.649 nan 8.360 nan 0.000 0.460 1127 R N 0.176 120.561 120.500 -0.190 0.000 2.066 1127 R HA -0.134 4.207 4.340 0.000 0.000 0.232 1127 R C 1.771 177.927 176.300 -0.240 0.000 1.131 1127 R CA 1.320 57.257 56.100 -0.272 0.000 0.955 1127 R CB -0.747 29.369 30.300 -0.307 0.000 0.851 1127 R HN 0.084 nan 8.270 nan 0.000 0.432 1128 Y N 2.297 122.525 120.300 -0.121 0.000 2.333 1128 Y HA -0.135 4.415 4.550 0.000 0.000 0.290 1128 Y C 2.104 178.008 175.900 0.006 0.000 1.144 1128 Y CA 1.793 59.860 58.100 -0.056 0.000 1.228 1128 Y CB -0.044 38.375 38.460 -0.069 0.000 0.985 1128 Y HN 0.463 nan 8.280 nan 0.000 0.542 1129 E N -1.552 118.741 120.200 0.155 0.000 2.318 1129 E HA 0.063 4.413 4.350 0.000 0.000 0.193 1129 E C 2.133 178.865 176.600 0.220 0.000 0.998 1129 E CA 0.719 57.240 56.400 0.202 0.000 0.859 1129 E CB -0.234 29.627 29.700 0.268 0.000 0.812 1129 E HN 0.261 nan 8.360 nan 0.000 0.492 1130 A N 1.489 124.342 122.820 0.056 0.000 1.970 1130 A HA -0.056 4.264 4.320 0.000 0.000 0.216 1130 A C 2.327 179.971 177.584 0.100 0.000 1.170 1130 A CA 1.220 53.303 52.037 0.077 0.000 0.645 1130 A CB -0.442 18.437 19.000 -0.201 0.000 0.816 1130 A HN 0.254 nan 8.150 nan 0.000 0.447 1131 S N -0.088 115.625 115.700 0.021 0.000 2.356 1131 S HA -0.076 4.394 4.470 0.000 0.000 0.223 1131 S C 2.205 176.891 174.600 0.145 0.000 1.032 1131 S CA 1.611 59.827 58.200 0.026 0.000 1.005 1131 S CB -0.440 62.738 63.200 -0.037 0.000 0.867 1131 S HN 0.784 nan 8.310 nan 0.000 0.449 1132 A N 1.105 124.010 122.820 0.141 0.000 1.933 1132 A HA -0.099 4.221 4.320 0.000 0.000 0.218 1132 A C 1.989 179.642 177.584 0.116 0.000 1.175 1132 A CA 1.626 53.740 52.037 0.128 0.000 0.628 1132 A CB -0.609 18.468 19.000 0.129 0.000 0.814 1132 A HN 0.725 nan 8.150 nan 0.000 0.444 1133 E N -1.406 118.882 120.200 0.146 0.000 2.072 1133 E HA -0.122 4.229 4.350 0.000 0.000 0.190 1133 E C 1.780 178.335 176.600 -0.075 0.000 0.982 1133 E CA 1.037 57.473 56.400 0.059 0.000 0.803 1133 E CB -0.296 29.532 29.700 0.214 0.000 0.755 1133 E HN 0.710 nan 8.360 nan 0.000 0.453 1134 F N 2.157 122.063 119.950 -0.073 0.000 2.026 1134 F HA -0.271 4.256 4.527 0.001 0.000 0.296 1134 F C 2.757 178.520 175.800 -0.063 0.000 1.133 1134 F CA 2.258 60.211 58.000 -0.078 0.000 1.188 1134 F CB -0.621 38.342 39.000 -0.062 0.000 0.968 1134 F HN -0.036 nan 8.300 nan 0.000 0.476 1135 T N -1.540 113.139 114.554 0.208 0.000 3.051 1135 T HA -0.158 4.193 4.350 0.000 0.000 0.269 1135 T C 1.691 176.390 174.700 -0.001 0.000 1.127 1135 T CA 1.307 63.465 62.100 0.097 0.000 1.107 1135 T CB -0.367 68.587 68.868 0.143 0.000 0.898 1135 T HN 0.461 nan 8.240 nan 0.000 0.517 1136 Q N 0.668 120.421 119.800 -0.078 0.000 2.096 1136 Q HA 0.087 4.428 4.340 0.000 0.000 0.197 1136 Q C 2.182 178.070 176.000 -0.186 0.000 0.964 1136 Q CA 1.428 57.168 55.803 -0.105 0.000 0.838 1136 Q CB -0.499 28.172 28.738 -0.112 0.000 0.906 1136 Q HN 0.493 nan 8.270 nan 0.000 0.444 1137 V N -0.544 119.174 119.914 -0.328 0.000 2.323 1137 V HA -0.188 3.932 4.120 0.000 0.000 0.244 1137 V C 1.859 177.800 176.094 -0.254 0.000 1.041 1137 V CA 1.752 63.844 62.300 -0.347 0.000 1.025 1137 V CB -0.952 30.598 31.823 -0.455 0.000 0.656 1137 V HN 0.525 nan 8.190 nan 0.000 0.451 1138 W N 1.328 122.331 121.300 -0.494 0.000 2.317 1138 W HA -0.196 4.465 4.660 0.001 0.000 0.318 1138 W C 2.818 179.127 176.519 -0.351 0.000 1.227 1138 W CA 2.076 59.142 57.345 -0.465 0.000 1.269 1138 W CB -0.186 28.934 29.460 -0.566 0.000 1.155 1138 W HN 0.015 nan 8.180 nan 0.000 0.484 1139 R N -0.301 120.171 120.500 -0.047 0.000 2.091 1139 R HA -0.154 4.186 4.340 0.000 0.000 0.238 1139 R C 2.221 178.410 176.300 -0.185 0.000 1.136 1139 R CA 1.834 57.787 56.100 -0.244 0.000 0.959 1139 R CB -0.541 29.677 30.300 -0.137 0.000 0.856 1139 R HN 0.253 nan 8.270 nan 0.000 0.437 1140 R N 0.469 120.885 120.500 -0.139 0.000 2.062 1140 R HA -0.017 4.323 4.340 0.000 0.000 0.229 1140 R C 2.412 178.621 176.300 -0.153 0.000 1.128 1140 R CA 0.974 57.014 56.100 -0.100 0.000 0.960 1140 R CB -0.359 29.897 30.300 -0.073 0.000 0.855 1140 R HN 0.149 nan 8.270 nan 0.000 0.432 1141 L N 0.574 121.655 121.223 -0.235 0.000 2.079 1141 L HA -0.174 4.166 4.340 0.000 0.000 0.210 1141 L C 1.825 178.520 176.870 -0.291 0.000 1.081 1141 L CA 0.761 55.445 54.840 -0.260 0.000 0.752 1141 L CB -0.227 41.643 42.059 -0.315 0.000 0.896 1141 L HN 0.250 nan 8.230 nan 0.000 0.433 1142 L N -0.198 120.783 121.223 -0.404 0.000 2.610 1142 L HA -0.073 4.267 4.340 0.000 0.000 0.232 1142 L C 1.098 177.894 176.870 -0.122 0.000 1.149 1142 L CA 1.188 55.817 54.840 -0.352 0.000 0.872 1142 L CB -0.482 41.209 42.059 -0.613 0.000 0.992 1142 L HN 0.493 nan 8.230 nan 0.000 0.447 1143 Q N -0.731 119.018 119.800 -0.084 0.000 2.157 1143 Q HA 0.220 4.560 4.340 0.000 0.000 0.229 1143 Q C 0.179 176.157 176.000 -0.036 0.000 0.827 1143 Q CA -0.263 55.531 55.803 -0.015 0.000 1.055 1143 Q CB 0.820 29.582 28.738 0.039 0.000 1.157 1143 Q HN 0.211 nan 8.270 nan 0.000 0.482 1144 R N -0.401 120.059 120.500 -0.067 0.000 3.840 1144 R HA -0.161 4.179 4.340 0.000 0.000 0.464 1144 R C -0.715 175.548 176.300 -0.061 0.000 0.986 1144 R CA 0.908 56.970 56.100 -0.064 0.000 1.305 1144 R CB -1.531 28.745 30.300 -0.040 0.000 1.950 1144 R HN 0.342 nan 8.270 nan 0.000 0.526 1145 E N 1.387 121.552 120.200 -0.059 0.000 2.344 1145 E HA 0.089 4.439 4.350 0.000 0.000 0.270 1145 E C -0.177 176.389 176.600 -0.057 0.000 1.021 1145 E CA 0.195 56.567 56.400 -0.046 0.000 0.887 1145 E CB 0.765 30.445 29.700 -0.033 0.000 0.997 1145 E HN -0.018 nan 8.360 nan 0.000 0.429 1146 T N 2.633 117.161 114.554 -0.043 0.000 2.814 1146 T HA 0.201 4.552 4.350 0.000 0.000 0.297 1146 T C -0.235 174.449 174.700 -0.027 0.000 0.956 1146 T CA -0.417 61.656 62.100 -0.045 0.000 1.123 1146 T CB 0.524 69.371 68.868 -0.035 0.000 0.902 1146 T HN 0.094 nan 8.240 nan 0.000 0.528 1147 V N 4.444 124.340 119.914 -0.031 0.000 2.409 1147 V HA 0.334 4.454 4.120 0.000 0.000 0.291 1147 V C -0.482 175.636 176.094 0.040 0.000 1.020 1147 V CA -0.968 61.336 62.300 0.006 0.000 0.848 1147 V CB 1.816 33.628 31.823 -0.019 0.000 0.990 1147 V HN 0.797 nan 8.190 nan 0.000 0.430 1148 D N 4.529 124.976 120.400 0.078 0.000 2.303 1148 D HA 0.592 5.233 4.640 0.000 0.000 0.236 1148 D C -0.923 175.492 176.300 0.191 0.000 1.068 1148 D CA 0.151 54.206 54.000 0.093 0.000 0.830 1148 D CB 2.030 42.861 40.800 0.052 0.000 1.109 1148 D HN 0.426 nan 8.370 nan 0.000 0.496 1149 F N 2.339 122.312 119.950 0.037 0.000 2.615 1149 F HA 0.352 4.879 4.527 0.000 0.000 0.312 1149 F C -1.429 174.462 175.800 0.153 0.000 1.119 1149 F CA -0.779 57.260 58.000 0.064 0.000 0.979 1149 F CB 1.719 40.740 39.000 0.034 0.000 1.266 1149 F HN 0.139 nan 8.300 nan 0.000 0.444 1150 N N 3.612 122.134 118.700 -0.296 0.000 2.839 1150 N HA 0.417 5.157 4.740 0.000 0.000 0.230 1150 N C -0.895 174.419 175.510 -0.327 0.000 1.388 1150 N CA -0.003 53.011 53.050 -0.059 0.000 0.747 1150 N CB 0.858 39.328 38.487 -0.027 0.000 1.411 1150 N HN 0.864 nan 8.380 nan 0.000 0.556 1151 G N 1.023 109.687 108.800 -0.227 0.000 2.782 1151 G HA2 0.193 4.153 3.960 0.000 0.000 0.201 1151 G HA3 0.193 4.153 3.960 0.000 0.000 0.201 1151 G C 0.630 175.488 174.900 -0.069 0.000 1.374 1151 G CA -0.270 44.733 45.100 -0.161 0.000 1.039 1151 G HN 0.280 nan 8.290 nan 0.000 0.576 1152 K N -0.421 119.913 120.400 -0.110 0.000 1.987 1152 K HA -0.135 4.185 4.320 0.000 0.000 0.216 1152 K C 2.084 178.483 176.600 -0.335 0.000 1.051 1152 K CA 1.822 57.922 56.287 -0.312 0.000 0.942 1152 K CB -0.538 31.631 32.500 -0.552 0.000 0.722 1152 K HN 0.598 nan 8.250 nan 0.000 0.444 1153 H N -1.390 117.763 119.070 0.138 0.000 2.476 1153 H HA 0.142 4.698 4.556 0.000 0.000 0.292 1153 H C 0.474 175.911 175.328 0.181 0.000 1.019 1153 H CA -0.039 56.093 56.048 0.140 0.000 1.330 1153 H CB 0.230 30.068 29.762 0.125 0.000 1.451 1153 H HN 0.037 nan 8.280 nan 0.000 0.535 1154 I N 1.286 122.068 120.570 0.354 0.000 2.488 1154 I HA 0.165 4.335 4.170 0.000 0.000 0.299 1154 I C -0.137 176.241 176.117 0.436 0.000 0.984 1154 I CA -0.221 61.283 61.300 0.339 0.000 1.250 1154 I CB 1.013 39.159 38.000 0.245 0.000 1.389 1154 I HN 0.154 nan 8.210 nan 0.000 0.488 1155 H N 5.470 124.668 119.070 0.213 0.000 3.224 1155 H HA 0.668 5.224 4.556 0.001 0.000 0.331 1155 H C -1.613 173.791 175.328 0.126 0.000 1.002 1155 H CA -0.869 55.285 56.048 0.176 0.000 1.473 1155 H CB 1.040 30.862 29.762 0.100 0.000 1.830 1155 H HN 0.357 nan 8.280 nan 0.000 0.485 1156 V N 2.796 122.717 119.914 0.013 0.000 3.078 1156 V HA 0.767 4.887 4.120 0.000 0.000 0.311 1156 V C -1.002 175.039 176.094 -0.090 0.000 1.138 1156 V CA -1.070 61.165 62.300 -0.109 0.000 1.007 1156 V CB 2.340 34.148 31.823 -0.026 0.000 1.045 1156 V HN 0.780 nan 8.190 nan 0.000 0.432 1157 R N 1.660 122.094 120.500 -0.110 0.000 2.538 1157 R HA 0.597 4.937 4.340 0.000 0.000 0.292 1157 R C 0.592 176.864 176.300 -0.047 0.000 1.008 1157 R CA 0.171 56.236 56.100 -0.059 0.000 0.896 1157 R CB 1.595 31.851 30.300 -0.074 0.000 1.187 1157 R HN 2.291 nan 8.270 nan 0.000 0.440 1158 G N 2.380 111.164 108.800 -0.028 0.000 2.258 1158 G HA2 -0.330 3.630 3.960 0.000 0.000 0.274 1158 G HA3 -0.330 3.630 3.960 0.000 0.000 0.274 1158 G C 0.144 175.012 174.900 -0.054 0.000 1.021 1158 G CA 0.410 45.489 45.100 -0.036 0.000 0.798 1158 G HN 0.827 nan 8.290 nan 0.000 0.507 1159 A N -0.089 122.697 122.820 -0.057 0.000 2.496 1159 A HA 0.550 4.870 4.320 0.000 0.000 0.278 1159 A C 0.654 178.179 177.584 -0.098 0.000 1.137 1159 A CA 1.086 53.073 52.037 -0.082 0.000 0.805 1159 A CB 0.213 19.162 19.000 -0.085 0.000 1.077 1159 A HN 0.605 nan 8.150 nan 0.000 0.513 1160 K N 2.807 123.137 120.400 -0.116 0.000 2.469 1160 K HA 0.629 4.949 4.320 0.000 0.000 0.254 1160 K C -1.408 175.079 176.600 -0.188 0.000 0.939 1160 K CA -0.677 55.530 56.287 -0.134 0.000 0.812 1160 K CB 1.357 33.792 32.500 -0.109 0.000 1.301 1160 K HN 0.655 nan 8.250 nan 0.000 0.433 1161 L N 6.103 127.199 121.223 -0.212 0.000 2.272 1161 L HA 0.287 4.627 4.340 0.000 0.000 0.289 1161 L C 1.219 177.884 176.870 -0.342 0.000 1.032 1161 L CA -0.503 54.153 54.840 -0.307 0.000 0.810 1161 L CB 1.200 43.098 42.059 -0.268 0.000 1.205 1161 L HN 0.703 nan 8.230 nan 0.000 0.422 1162 L N 3.333 124.230 121.223 -0.544 0.000 2.217 1162 L HA 0.007 4.348 4.340 0.000 0.000 0.211 1162 L C 0.146 176.820 176.870 -0.326 0.000 1.107 1162 L CA 1.106 55.681 54.840 -0.441 0.000 0.783 1162 L CB -0.269 41.527 42.059 -0.439 0.000 0.919 1162 L HN 0.449 nan 8.230 nan 0.000 0.442 1163 F N -0.672 119.262 119.950 -0.028 0.000 2.529 1163 F HA 0.668 5.195 4.527 -0.000 0.000 0.320 1163 F C -2.599 173.186 175.800 -0.025 0.000 1.118 1163 F CA -2.877 55.112 58.000 -0.018 0.000 0.915 1163 F CB 0.298 39.294 39.000 -0.006 0.000 1.161 1163 F HN -0.277 nan 8.300 nan 0.000 0.445 1164 P HA 0.443 nan 4.420 nan 0.000 0.282 1164 P C -0.514 176.859 177.300 0.121 0.000 1.259 1164 P CA -0.240 62.913 63.100 0.087 0.000 0.826 1164 P CB 1.713 33.438 31.700 0.043 0.000 1.064 1165 A N 1.459 124.331 122.820 0.087 0.000 2.281 1165 A HA 0.245 4.566 4.320 0.000 0.000 0.271 1165 A C 1.402 179.044 177.584 0.096 0.000 1.196 1165 A CA -0.038 52.068 52.037 0.116 0.000 0.807 1165 A CB -0.464 18.612 19.000 0.126 0.000 1.138 1165 A HN 0.562 nan 8.150 nan 0.000 0.506 1166 I N -1.596 119.036 120.570 0.102 0.000 3.300 1166 I HA 0.003 4.173 4.170 0.000 0.000 0.279 1166 I C 0.893 177.049 176.117 0.066 0.000 1.172 1166 I CA 0.269 61.613 61.300 0.074 0.000 1.431 1166 I CB -0.167 37.873 38.000 0.067 0.000 1.240 1166 I HN 0.623 nan 8.210 nan 0.000 0.453 1167 Q N 2.245 122.098 119.800 0.088 0.000 2.392 1167 Q HA 0.147 4.487 4.340 0.000 0.000 0.262 1167 Q C -0.602 175.431 176.000 0.055 0.000 1.003 1167 Q CA 0.247 56.094 55.803 0.074 0.000 0.888 1167 Q CB 0.707 29.509 28.738 0.106 0.000 1.260 1167 Q HN 0.160 nan 8.270 nan 0.000 0.435 1168 Q N 1.501 121.306 119.800 0.007 0.000 2.394 1168 Q HA 0.256 4.597 4.340 0.000 0.000 0.273 1168 Q C -1.711 174.203 176.000 -0.143 0.000 1.089 1168 Q CA -1.740 54.035 55.803 -0.047 0.000 0.812 1168 Q CB 1.273 29.992 28.738 -0.033 0.000 1.353 1168 Q HN 0.531 nan 8.270 nan 0.000 0.438 1169 P HA -0.076 nan 4.420 nan 0.000 0.222 1169 P C -0.493 176.738 177.300 -0.115 0.000 1.147 1169 P CA 1.339 64.284 63.100 -0.257 0.000 0.790 1169 P CB 0.249 31.712 31.700 -0.395 0.000 0.780 1170 Y N -4.683 115.647 120.300 0.050 0.000 2.713 1170 Y HA 0.644 5.194 4.550 0.001 0.000 0.335 1170 Y C -3.205 172.801 175.900 0.176 0.000 1.222 1170 Y CA -3.375 54.755 58.100 0.050 0.000 1.061 1170 Y CB -0.277 38.163 38.460 -0.034 0.000 1.314 1170 Y HN -0.404 nan 8.280 nan 0.000 0.453 1171 P HA 0.155 nan 4.420 nan 0.000 0.265 1171 P C -2.527 175.142 177.300 0.614 0.000 1.193 1171 P CA -0.489 62.914 63.100 0.505 0.000 0.765 1171 P CB 0.266 32.392 31.700 0.711 0.000 0.823 1172 P HA -0.019 nan 4.420 nan 0.000 0.267 1172 P C -0.792 176.776 177.300 0.446 0.000 1.195 1172 P CA 0.472 63.818 63.100 0.411 0.000 0.773 1172 P CB 0.319 32.208 31.700 0.316 0.000 0.837 1173 L N 3.841 125.360 121.223 0.492 0.000 2.333 1173 L HA 0.438 4.778 4.340 0.000 0.000 0.280 1173 L C -1.131 176.034 176.870 0.493 0.000 1.004 1173 L CA -0.612 54.459 54.840 0.385 0.000 0.820 1173 L CB 0.365 42.607 42.059 0.306 0.000 1.247 1173 L HN 0.359 nan 8.230 nan 0.000 0.416 1174 Y N 3.778 124.097 120.300 0.032 0.000 2.509 1174 Y HA 0.534 5.084 4.550 0.000 0.000 0.341 1174 Y C -0.970 174.942 175.900 0.021 0.000 1.038 1174 Y CA -1.069 57.015 58.100 -0.028 0.000 1.089 1174 Y CB 2.504 40.880 38.460 -0.140 0.000 1.241 1174 Y HN 0.486 nan 8.280 nan 0.000 0.468 1175 F N 1.096 121.015 119.950 -0.052 0.000 2.585 1175 F HA 0.657 5.184 4.527 0.000 0.000 0.319 1175 F C -0.166 175.450 175.800 -0.306 0.000 1.165 1175 F CA -0.489 57.445 58.000 -0.110 0.000 0.949 1175 F CB 1.271 40.259 39.000 -0.019 0.000 1.218 1175 F HN 0.508 nan 8.300 nan 0.000 0.453 1176 G N 2.111 110.503 108.800 -0.681 0.000 2.613 1176 G HA2 0.635 4.596 3.960 0.000 0.000 0.303 1176 G HA3 0.635 4.596 3.960 0.000 0.000 0.303 1176 G C 0.140 174.707 174.900 -0.554 0.000 1.312 1176 G CA -0.225 44.478 45.100 -0.660 0.000 1.036 1176 G HN 1.590 nan 8.290 nan 0.000 0.513 1177 G N -1.006 107.565 108.800 -0.382 0.000 2.578 1177 G HA2 0.233 4.193 3.960 0.000 0.000 0.232 1177 G HA3 0.233 4.193 3.960 0.000 0.000 0.232 1177 G C 0.789 175.803 174.900 0.190 0.000 1.176 1177 G CA 1.537 46.658 45.100 0.036 0.000 0.968 1177 G HN 2.318 nan 8.290 nan 0.000 0.583 1178 S N -3.362 112.542 115.700 0.339 0.000 7.068 1178 S HA 0.396 4.867 4.470 0.000 0.000 0.060 1178 S C 1.308 176.096 174.600 0.313 0.000 1.412 1178 S CA 1.253 59.705 58.200 0.420 0.000 1.149 1178 S CB -0.704 62.697 63.200 0.334 0.000 1.418 1178 S HN 2.619 nan 8.310 nan 0.000 0.543 1179 S N 2.229 118.065 115.700 0.227 0.000 2.970 1179 S HA -0.232 4.239 4.470 0.000 0.000 0.626 1179 S C 0.473 175.129 174.600 0.094 0.000 3.107 1179 S CA 1.822 60.108 58.200 0.143 0.000 3.861 1179 S CB -1.498 61.760 63.200 0.098 0.000 0.359 1179 S HN 0.998 nan 8.310 nan 0.000 1.476 1180 D N -1.449 118.959 120.400 0.014 0.000 3.118 1180 D HA 0.211 4.851 4.640 0.000 0.000 0.222 1180 D C 1.543 177.805 176.300 -0.063 0.000 1.470 1180 D CA 0.524 54.521 54.000 -0.005 0.000 1.347 1180 D CB -0.402 40.396 40.800 -0.003 0.000 1.221 1180 D HN 0.279 nan 8.370 nan 0.000 0.326 1181 V N 0.914 120.741 119.914 -0.145 0.000 2.568 1181 V HA -0.115 4.005 4.120 0.000 0.000 0.253 1181 V C 2.065 178.003 176.094 -0.260 0.000 1.072 1181 V CA 2.419 64.599 62.300 -0.201 0.000 1.084 1181 V CB -0.694 30.973 31.823 -0.260 0.000 0.676 1181 V HN 0.384 nan 8.190 nan 0.000 0.469 1182 A N -0.562 122.070 122.820 -0.313 0.000 1.865 1182 A HA -0.305 4.015 4.320 0.000 0.000 0.217 1182 A C 2.045 179.626 177.584 -0.004 0.000 1.191 1182 A CA 2.076 54.113 52.037 -0.000 0.000 0.623 1182 A CB -0.683 18.515 19.000 0.329 0.000 0.826 1182 A HN 0.678 nan 8.150 nan 0.000 0.444 1183 Q N -0.987 118.846 119.800 0.054 0.000 2.217 1183 Q HA -0.285 4.055 4.340 0.000 0.000 0.209 1183 Q C 2.004 177.913 176.000 -0.152 0.000 0.988 1183 Q CA 1.759 57.544 55.803 -0.030 0.000 0.878 1183 Q CB -0.213 28.494 28.738 -0.051 0.000 0.909 1183 Q HN 0.802 nan 8.270 nan 0.000 0.424 1184 E N 1.383 121.509 120.200 -0.123 0.000 2.028 1184 E HA -0.136 4.214 4.350 0.000 0.000 0.191 1184 E C 1.777 178.264 176.600 -0.189 0.000 0.988 1184 E CA 0.728 57.066 56.400 -0.103 0.000 0.799 1184 E CB -0.422 29.259 29.700 -0.030 0.000 0.755 1184 E HN 0.357 nan 8.360 nan 0.000 0.447 1185 L N -0.441 120.653 121.223 -0.214 0.000 2.189 1185 L HA -0.177 4.163 4.340 0.000 0.000 0.214 1185 L C 2.064 178.696 176.870 -0.397 0.000 1.097 1185 L CA 1.432 56.131 54.840 -0.235 0.000 0.764 1185 L CB -0.298 41.674 42.059 -0.144 0.000 0.900 1185 L HN 0.320 nan 8.230 nan 0.000 0.436 1186 A N -0.502 121.970 122.820 -0.581 0.000 1.850 1186 A HA 0.016 4.336 4.320 0.000 0.000 0.212 1186 A C 2.427 179.846 177.584 -0.275 0.000 1.208 1186 A CA 1.014 52.748 52.037 -0.505 0.000 0.609 1186 A CB -0.986 17.709 19.000 -0.508 0.000 0.860 1186 A HN 0.452 nan 8.150 nan 0.000 0.448 1187 A N -0.507 122.164 122.820 -0.249 0.000 2.032 1187 A HA -0.230 4.090 4.320 0.000 0.000 0.221 1187 A C 1.942 179.330 177.584 -0.327 0.000 1.165 1187 A CA 2.004 53.919 52.037 -0.202 0.000 0.645 1187 A CB -0.449 18.482 19.000 -0.114 0.000 0.807 1187 A HN 0.685 nan 8.150 nan 0.000 0.453 1188 E N -1.618 118.304 120.200 -0.463 0.000 2.415 1188 E HA -0.002 4.348 4.350 0.000 0.000 0.197 1188 E C 1.573 178.031 176.600 -0.237 0.000 1.007 1188 E CA 0.493 56.539 56.400 -0.590 0.000 0.890 1188 E CB 0.092 29.400 29.700 -0.654 0.000 0.891 1188 E HN 0.786 nan 8.360 nan 0.000 0.496 1189 Q N -0.354 119.351 119.800 -0.159 0.000 2.279 1189 Q HA 0.132 4.472 4.340 0.000 0.000 0.261 1189 Q C 0.649 176.669 176.000 0.033 0.000 0.796 1189 Q CA 0.160 55.939 55.803 -0.041 0.000 0.971 1189 Q CB 1.692 30.411 28.738 -0.032 0.000 1.179 1189 Q HN 0.119 nan 8.270 nan 0.000 0.505 1190 V N -0.999 118.911 119.914 -0.007 0.000 3.134 1190 V HA 0.295 4.415 4.120 0.000 0.000 0.313 1190 V C 0.284 176.414 176.094 0.060 0.000 1.069 1190 V CA -0.422 61.921 62.300 0.072 0.000 1.048 1190 V CB 1.360 33.231 31.823 0.080 0.000 1.119 1190 V HN 0.019 nan 8.190 nan 0.000 0.461 1191 D N 0.447 120.910 120.400 0.104 0.000 2.327 1191 D HA 0.256 4.897 4.640 0.000 0.000 0.205 1191 D C 0.150 176.373 176.300 -0.130 0.000 0.989 1191 D CA 0.932 54.956 54.000 0.039 0.000 0.873 1191 D CB 1.225 42.111 40.800 0.143 0.000 0.955 1191 D HN 0.509 nan 8.370 nan 0.000 0.515 1192 L N -0.063 121.030 121.223 -0.217 0.000 2.505 1192 L HA 0.340 4.680 4.340 0.000 0.000 0.259 1192 L C -1.930 174.721 176.870 -0.365 0.000 0.952 1192 L CA -0.954 53.604 54.840 -0.470 0.000 0.840 1192 L CB 2.748 44.282 42.059 -0.876 0.000 1.358 1192 L HN -0.197 nan 8.230 nan 0.000 0.409 1193 Y N 4.896 124.841 120.300 -0.592 0.000 2.331 1193 Y HA 0.582 5.132 4.550 0.000 0.000 0.338 1193 Y C -1.176 174.576 175.900 -0.247 0.000 0.976 1193 Y CA -0.546 57.359 58.100 -0.326 0.000 1.137 1193 Y CB 1.235 39.498 38.460 -0.328 0.000 1.172 1193 Y HN 0.473 nan 8.280 nan 0.000 0.478 1194 L N 6.236 127.109 121.223 -0.584 0.000 2.276 1194 L HA 0.419 4.760 4.340 0.000 0.000 0.286 1194 L C 0.024 176.480 176.870 -0.690 0.000 1.061 1194 L CA -0.327 54.181 54.840 -0.553 0.000 0.807 1194 L CB 1.516 43.269 42.059 -0.510 0.000 1.177 1194 L HN 0.662 nan 8.230 nan 0.000 0.429 1195 T N 2.192 116.485 114.554 -0.435 0.000 2.876 1195 T HA 0.382 4.732 4.350 0.000 0.000 0.289 1195 T C -0.688 173.833 174.700 -0.298 0.000 1.014 1195 T CA -0.430 61.475 62.100 -0.325 0.000 0.986 1195 T CB 0.611 69.511 68.868 0.054 0.000 1.021 1195 T HN 0.350 nan 8.240 nan 0.000 0.458 1196 W N 2.212 123.468 121.300 -0.073 0.000 2.253 1196 W HA 0.343 5.003 4.660 0.001 0.000 0.348 1196 W C 1.418 177.908 176.519 -0.049 0.000 1.267 1196 W CA -0.315 56.997 57.345 -0.054 0.000 1.298 1196 W CB 0.342 29.786 29.460 -0.027 0.000 1.181 1196 W HN 0.844 nan 8.180 nan 0.000 0.585 1197 G N 2.461 111.399 108.800 0.230 0.000 2.508 1197 G HA2 0.276 4.236 3.960 0.000 0.000 0.301 1197 G HA3 0.276 4.236 3.960 0.000 0.000 0.301 1197 G C -0.539 174.474 174.900 0.189 0.000 0.965 1197 G CA -0.492 44.669 45.100 0.101 0.000 1.339 1197 G HN 0.531 nan 8.290 nan 0.000 0.455 1198 E N 2.603 122.922 120.200 0.199 0.000 2.281 1198 E HA 0.339 4.689 4.350 0.000 0.000 0.257 1198 E C -2.414 174.377 176.600 0.319 0.000 0.971 1198 E CA -2.024 54.513 56.400 0.228 0.000 0.839 1198 E CB 1.555 31.366 29.700 0.186 0.000 1.238 1198 E HN 0.198 nan 8.360 nan 0.000 0.412 1199 P HA -0.036 nan 4.420 nan 0.000 0.268 1199 P C -2.101 175.324 177.300 0.209 0.000 1.208 1199 P CA -0.708 62.514 63.100 0.203 0.000 0.777 1199 P CB 0.040 31.815 31.700 0.125 0.000 0.875 1200 P HA -0.264 nan 4.420 nan 0.000 0.218 1200 P C 1.380 178.730 177.300 0.085 0.000 1.152 1200 P CA 1.622 64.758 63.100 0.059 0.000 0.857 1200 P CB -0.015 31.624 31.700 -0.101 0.000 0.787 1201 E N -0.411 119.827 120.200 0.062 0.000 2.000 1201 E HA -0.150 4.200 4.350 0.000 0.000 0.199 1201 E C 2.119 178.757 176.600 0.063 0.000 1.011 1201 E CA 1.215 57.645 56.400 0.050 0.000 0.836 1201 E CB -1.145 28.579 29.700 0.041 0.000 0.778 1201 E HN 0.239 nan 8.360 nan 0.000 0.462 1202 L N 0.782 122.052 121.223 0.079 0.000 2.189 1202 L HA -0.196 4.144 4.340 0.000 0.000 0.214 1202 L C 2.501 179.427 176.870 0.094 0.000 1.097 1202 L CA 0.650 55.540 54.840 0.083 0.000 0.764 1202 L CB -0.437 41.679 42.059 0.095 0.000 0.900 1202 L HN -0.000 nan 8.230 nan 0.000 0.436 1203 V N -0.448 119.540 119.914 0.124 0.000 2.535 1203 V HA -0.205 3.916 4.120 0.000 0.000 0.246 1203 V C 2.510 178.632 176.094 0.046 0.000 1.045 1203 V CA 1.425 63.798 62.300 0.123 0.000 1.058 1203 V CB -0.372 31.587 31.823 0.226 0.000 0.689 1203 V HN 0.413 nan 8.190 nan 0.000 0.461 1204 K N 0.367 120.792 120.400 0.041 0.000 2.097 1204 K HA -0.243 4.077 4.320 0.000 0.000 0.206 1204 K C 2.069 178.639 176.600 -0.049 0.000 1.049 1204 K CA 1.916 58.193 56.287 -0.018 0.000 0.933 1204 K CB -0.046 32.453 32.500 -0.002 0.000 0.717 1204 K HN 0.532 nan 8.250 nan 0.000 0.442 1205 E N 0.396 120.588 120.200 -0.014 0.000 2.077 1205 E HA -0.180 4.171 4.350 0.000 0.000 0.193 1205 E C 1.958 178.537 176.600 -0.035 0.000 0.989 1205 E CA 1.251 57.641 56.400 -0.018 0.000 0.800 1205 E CB 0.082 29.787 29.700 0.009 0.000 0.746 1205 E HN 0.204 nan 8.360 nan 0.000 0.452 1206 K N 0.594 120.985 120.400 -0.015 0.000 2.211 1206 K HA -0.098 4.222 4.320 0.000 0.000 0.203 1206 K C 1.943 178.470 176.600 -0.122 0.000 1.050 1206 K CA 0.700 56.979 56.287 -0.014 0.000 0.945 1206 K CB 0.042 32.599 32.500 0.095 0.000 0.732 1206 K HN 0.110 nan 8.250 nan 0.000 0.451 1207 I N 0.797 121.226 120.570 -0.235 0.000 2.252 1207 I HA -0.246 3.924 4.170 0.000 0.000 0.245 1207 I C 1.862 177.774 176.117 -0.342 0.000 1.102 1207 I CA 1.176 62.127 61.300 -0.581 0.000 1.385 1207 I CB -0.112 37.468 38.000 -0.700 0.000 1.064 1207 I HN 0.184 nan 8.210 nan 0.000 0.414 1208 E N 0.926 121.014 120.200 -0.186 0.000 2.015 1208 E HA -0.261 4.090 4.350 0.000 0.000 0.191 1208 E C 2.134 178.696 176.600 -0.064 0.000 0.991 1208 E CA 1.431 57.771 56.400 -0.099 0.000 0.802 1208 E CB -0.346 29.315 29.700 -0.066 0.000 0.759 1208 E HN 0.562 nan 8.360 nan 0.000 0.447 1209 Q N 0.135 119.898 119.800 -0.062 0.000 2.248 1209 Q HA -0.158 4.183 4.340 0.000 0.000 0.208 1209 Q C 1.895 177.855 176.000 -0.066 0.000 0.984 1209 Q CA 1.648 57.422 55.803 -0.048 0.000 0.875 1209 Q CB -0.247 28.469 28.738 -0.037 0.000 0.910 1209 Q HN 0.151 nan 8.270 nan 0.000 0.433 1210 V N 0.741 120.599 119.914 -0.093 0.000 2.374 1210 V HA -0.095 4.025 4.120 0.000 0.000 0.241 1210 V C 2.403 178.517 176.094 0.034 0.000 1.034 1210 V CA 1.485 63.722 62.300 -0.105 0.000 1.037 1210 V CB -0.518 31.192 31.823 -0.188 0.000 0.682 1210 V HN 0.290 nan 8.190 nan 0.000 0.463 1211 R N -0.050 120.525 120.500 0.125 0.000 2.139 1211 R HA -0.182 4.158 4.340 0.000 0.000 0.243 1211 R C 2.266 178.603 176.300 0.062 0.000 1.145 1211 R CA 1.546 57.732 56.100 0.143 0.000 0.976 1211 R CB -0.378 29.981 30.300 0.099 0.000 0.866 1211 R HN 0.564 nan 8.270 nan 0.000 0.449 1212 A N 1.112 123.948 122.820 0.027 0.000 1.854 1212 A HA -0.140 4.180 4.320 0.000 0.000 0.214 1212 A C 1.768 179.372 177.584 0.032 0.000 1.192 1212 A CA 1.215 53.264 52.037 0.019 0.000 0.611 1212 A CB -0.225 18.776 19.000 0.002 0.000 0.832 1212 A HN 0.205 nan 8.150 nan 0.000 0.442 1213 K N 0.007 120.424 120.400 0.027 0.000 2.360 1213 K HA -0.040 4.280 4.320 0.000 0.000 0.201 1213 K C 1.962 178.651 176.600 0.148 0.000 1.046 1213 K CA 0.888 57.214 56.287 0.064 0.000 0.940 1213 K CB -0.233 32.283 32.500 0.026 0.000 0.748 1213 K HN 0.472 nan 8.250 nan 0.000 0.465 1214 A N 1.347 124.219 122.820 0.086 0.000 1.887 1214 A HA 0.132 4.452 4.320 0.000 0.000 0.212 1214 A C 2.379 180.037 177.584 0.124 0.000 1.198 1214 A CA 0.978 53.068 52.037 0.087 0.000 0.628 1214 A CB -0.471 18.540 19.000 0.018 0.000 0.847 1214 A HN 0.240 nan 8.150 nan 0.000 0.449 1215 A N 0.237 123.105 122.820 0.080 0.000 1.978 1215 A HA 0.104 4.425 4.320 0.000 0.000 0.220 1215 A C 2.402 180.019 177.584 0.054 0.000 1.170 1215 A CA 2.067 54.141 52.037 0.060 0.000 0.636 1215 A CB -0.946 18.077 19.000 0.039 0.000 0.810 1215 A HN 1.096 nan 8.150 nan 0.000 0.448 1216 A N -0.940 121.908 122.820 0.046 0.000 2.024 1216 A HA -0.163 4.157 4.320 0.000 0.000 0.220 1216 A C 1.608 179.126 177.584 -0.110 0.000 1.164 1216 A CA 1.779 53.788 52.037 -0.046 0.000 0.643 1216 A CB -0.719 18.222 19.000 -0.098 0.000 0.806 1216 A HN 0.687 nan 8.150 nan 0.000 0.451 1217 H N -1.365 117.706 119.070 0.001 0.000 2.519 1217 H HA 0.404 4.960 4.556 0.000 0.000 0.289 1217 H C 1.393 176.727 175.328 0.010 0.000 1.040 1217 H CA 0.135 56.187 56.048 0.006 0.000 1.165 1217 H CB -0.164 29.602 29.762 0.006 0.000 1.462 1217 H HN 0.515 nan 8.280 nan 0.000 0.555 1218 G N 1.779 110.639 108.800 0.099 0.000 2.283 1218 G HA2 -0.354 3.606 3.960 0.000 0.000 0.280 1218 G HA3 -0.354 3.606 3.960 0.000 0.000 0.280 1218 G C 0.191 175.130 174.900 0.065 0.000 1.029 1218 G CA 0.535 45.675 45.100 0.065 0.000 0.840 1218 G HN 0.599 nan 8.290 nan 0.000 0.505 1219 R N -1.313 119.232 120.500 0.074 0.000 2.750 1219 R HA 0.755 5.095 4.340 0.000 0.000 0.281 1219 R C -0.391 175.929 176.300 0.033 0.000 0.972 1219 R CA -1.173 54.956 56.100 0.047 0.000 0.912 1219 R CB 1.722 32.046 30.300 0.040 0.000 1.187 1219 R HN 0.082 nan 8.270 nan 0.000 0.464 1220 K N 1.620 122.034 120.400 0.022 0.000 2.144 1220 K HA 0.426 4.746 4.320 0.000 0.000 0.270 1220 K C -0.676 175.914 176.600 -0.016 0.000 1.005 1220 K CA -0.446 55.851 56.287 0.017 0.000 0.932 1220 K CB 1.149 33.660 32.500 0.018 0.000 1.021 1220 K HN 0.509 nan 8.250 nan 0.000 0.462 1221 I N 1.636 122.186 120.570 -0.033 0.000 2.802 1221 I HA 0.338 4.508 4.170 0.000 0.000 0.298 1221 I C -0.840 175.129 176.117 -0.246 0.000 1.176 1221 I CA -0.767 60.434 61.300 -0.165 0.000 1.025 1221 I CB 1.645 39.500 38.000 -0.242 0.000 1.243 1221 I HN 0.555 nan 8.210 nan 0.000 0.424 1222 R N 4.501 124.765 120.500 -0.394 0.000 2.691 1222 R HA 0.668 5.008 4.340 0.000 0.000 0.259 1222 R C -1.702 174.125 176.300 -0.787 0.000 1.048 1222 R CA -0.596 55.294 56.100 -0.349 0.000 1.086 1222 R CB 1.507 31.673 30.300 -0.223 0.000 1.166 1222 R HN 0.361 nan 8.270 nan 0.000 0.526 1223 F N -1.162 118.714 119.950 -0.123 0.000 2.578 1223 F HA 0.562 5.090 4.527 0.001 0.000 0.311 1223 F C 0.504 176.139 175.800 -0.274 0.000 1.094 1223 F CA -0.661 57.251 58.000 -0.146 0.000 0.923 1223 F CB 2.473 41.431 39.000 -0.070 0.000 1.230 1223 F HN 0.562 nan 8.300 nan 0.000 0.450 1224 G N 1.610 110.292 108.800 -0.196 0.000 2.605 1224 G HA2 0.759 4.719 3.960 0.000 0.000 0.296 1224 G HA3 0.759 4.719 3.960 0.000 0.000 0.296 1224 G C -2.100 172.574 174.900 -0.376 0.000 1.304 1224 G CA -0.838 44.032 45.100 -0.383 0.000 0.941 1224 G HN 0.751 nan 8.290 nan 0.000 0.475 1225 I N -0.131 120.142 120.570 -0.495 0.000 2.686 1225 I HA 0.663 4.833 4.170 0.000 0.000 0.295 1225 I C -1.038 174.915 176.117 -0.273 0.000 1.114 1225 I CA -1.283 59.784 61.300 -0.389 0.000 1.038 1225 I CB 2.279 39.999 38.000 -0.466 0.000 1.238 1225 I HN 0.469 nan 8.210 nan 0.000 0.420 1226 R N 7.340 127.695 120.500 -0.241 0.000 2.215 1226 R HA 0.672 5.012 4.340 0.000 0.000 0.337 1226 R C -2.107 174.199 176.300 0.010 0.000 1.010 1226 R CA -0.115 55.894 56.100 -0.153 0.000 0.871 1226 R CB 0.441 30.532 30.300 -0.347 0.000 1.134 1226 R HN 0.640 nan 8.270 nan 0.000 0.477 1227 L N 2.379 123.642 121.223 0.068 0.000 2.323 1227 L HA 0.535 4.875 4.340 0.000 0.000 0.265 1227 L C -0.421 176.530 176.870 0.136 0.000 1.012 1227 L CA -1.382 53.543 54.840 0.142 0.000 0.820 1227 L CB 1.942 44.102 42.059 0.168 0.000 1.334 1227 L HN 0.629 nan 8.230 nan 0.000 0.427 1228 H N -0.103 119.012 119.070 0.076 0.000 2.502 1228 H HA 0.752 5.308 4.556 0.000 0.000 0.338 1228 H C -1.314 174.070 175.328 0.094 0.000 1.155 1228 H CA -0.429 55.638 56.048 0.031 0.000 1.237 1228 H CB 1.746 31.554 29.762 0.077 0.000 1.534 1228 H HN 0.201 nan 8.280 nan 0.000 0.523 1229 V N 5.512 125.220 119.914 -0.343 0.000 2.876 1229 V HA 0.346 4.466 4.120 0.000 0.000 0.312 1229 V C -0.379 175.647 176.094 -0.113 0.000 1.085 1229 V CA -0.729 61.523 62.300 -0.081 0.000 0.945 1229 V CB 1.965 33.821 31.823 0.055 0.000 1.017 1229 V HN 0.725 nan 8.190 nan 0.000 0.428 1230 I N 4.107 124.652 120.570 -0.041 0.000 2.714 1230 I HA 0.311 4.481 4.170 0.000 0.000 0.274 1230 I C -0.945 175.104 176.117 -0.113 0.000 1.261 1230 I CA -0.194 61.066 61.300 -0.066 0.000 1.008 1230 I CB 1.591 39.543 38.000 -0.080 0.000 1.289 1230 I HN 0.270 nan 8.210 nan 0.000 0.529 1231 V N 5.117 124.987 119.914 -0.072 0.000 2.547 1231 V HA 0.663 4.783 4.120 0.000 0.000 0.299 1231 V C 0.248 176.298 176.094 -0.074 0.000 1.040 1231 V CA -0.603 61.651 62.300 -0.077 0.000 0.913 1231 V CB 2.048 33.846 31.823 -0.041 0.000 0.992 1231 V HN 0.551 nan 8.190 nan 0.000 0.449 1232 R N 1.693 122.144 120.500 -0.080 0.000 2.870 1232 R HA 0.398 4.738 4.340 0.000 0.000 0.262 1232 R C 0.696 176.969 176.300 -0.046 0.000 1.112 1232 R CA -0.890 55.172 56.100 -0.062 0.000 0.976 1232 R CB 0.872 31.128 30.300 -0.072 0.000 1.261 1232 R HN 0.657 nan 8.270 nan 0.000 0.453 1233 E N 0.753 120.933 120.200 -0.033 0.000 2.058 1233 E HA -0.111 4.239 4.350 0.000 0.000 0.194 1233 E C 0.312 176.901 176.600 -0.019 0.000 0.997 1233 E CA 1.878 58.265 56.400 -0.022 0.000 0.801 1233 E CB 0.196 29.887 29.700 -0.015 0.000 0.746 1233 E HN 0.615 nan 8.360 nan 0.000 0.450 1234 T N -3.092 111.450 114.554 -0.021 0.000 2.903 1234 T HA 0.278 4.628 4.350 0.000 0.000 0.299 1234 T C 0.493 175.180 174.700 -0.021 0.000 1.093 1234 T CA -0.860 61.234 62.100 -0.010 0.000 1.002 1234 T CB 1.305 70.177 68.868 0.008 0.000 1.127 1234 T HN -0.114 nan 8.240 nan 0.000 0.488 1235 N N 0.999 119.701 118.700 0.003 0.000 2.149 1235 N HA -0.138 4.602 4.740 0.000 0.000 0.188 1235 N C 1.022 176.578 175.510 0.076 0.000 1.019 1235 N CA 1.397 54.451 53.050 0.007 0.000 0.857 1235 N CB -0.298 38.264 38.487 0.125 0.000 0.997 1235 N HN 0.666 nan 8.380 nan 0.000 0.426 1236 D N 1.091 121.552 120.400 0.102 0.000 2.092 1236 D HA -0.144 4.496 4.640 0.000 0.000 0.193 1236 D C 1.804 178.150 176.300 0.076 0.000 0.994 1236 D CA 0.925 54.998 54.000 0.122 0.000 0.828 1236 D CB -0.186 40.659 40.800 0.075 0.000 0.963 1236 D HN 0.336 nan 8.370 nan 0.000 0.450 1237 E N -0.311 119.902 120.200 0.021 0.000 2.110 1237 E HA -0.166 4.184 4.350 0.000 0.000 0.193 1237 E C 1.895 178.463 176.600 -0.053 0.000 0.988 1237 E CA 0.934 57.330 56.400 -0.006 0.000 0.804 1237 E CB -0.005 29.687 29.700 -0.014 0.000 0.745 1237 E HN 0.213 nan 8.360 nan 0.000 0.458 1238 A N -0.065 122.677 122.820 -0.130 0.000 1.969 1238 A HA -0.147 4.173 4.320 0.000 0.000 0.218 1238 A C 1.713 179.057 177.584 -0.400 0.000 1.169 1238 A CA 0.868 52.739 52.037 -0.276 0.000 0.635 1238 A CB -0.906 17.866 19.000 -0.380 0.000 0.810 1238 A HN 0.413 nan 8.150 nan 0.000 0.445 1239 W N 0.171 121.402 121.300 -0.114 0.000 2.418 1239 W HA -0.107 4.553 4.660 0.001 0.000 0.292 1239 W C 2.643 179.063 176.519 -0.165 0.000 1.213 1239 W CA 1.256 58.491 57.345 -0.184 0.000 1.283 1239 W CB -0.102 29.276 29.460 -0.136 0.000 1.119 1239 W HN 0.423 nan 8.180 nan 0.000 0.542 1240 Q N -0.022 119.828 119.800 0.084 0.000 2.079 1240 Q HA -0.156 4.184 4.340 0.000 0.000 0.200 1240 Q C 2.436 178.449 176.000 0.020 0.000 0.974 1240 Q CA 1.559 57.397 55.803 0.059 0.000 0.840 1240 Q CB -0.686 28.086 28.738 0.056 0.000 0.898 1240 Q HN 0.292 nan 8.270 nan 0.000 0.430 1241 A N 1.503 124.306 122.820 -0.028 0.000 1.883 1241 A HA -0.188 4.132 4.320 0.000 0.000 0.217 1241 A C 2.356 179.920 177.584 -0.033 0.000 1.186 1241 A CA 1.767 53.792 52.037 -0.021 0.000 0.624 1241 A CB -0.923 18.045 19.000 -0.054 0.000 0.822 1241 A HN 0.407 nan 8.150 nan 0.000 0.444 1242 A N -0.289 122.426 122.820 -0.175 0.000 1.858 1242 A HA -0.204 4.116 4.320 0.000 0.000 0.216 1242 A C 1.938 179.415 177.584 -0.178 0.000 1.190 1242 A CA 1.776 53.590 52.037 -0.372 0.000 0.617 1242 A CB -0.648 17.796 19.000 -0.927 0.000 0.827 1242 A HN 0.642 nan 8.150 nan 0.000 0.443 1243 E N -0.948 119.214 120.200 -0.064 0.000 2.058 1243 E HA -0.224 4.126 4.350 0.000 0.000 0.194 1243 E C 2.317 179.027 176.600 0.183 0.000 0.997 1243 E CA 1.276 57.744 56.400 0.114 0.000 0.801 1243 E CB -0.203 29.559 29.700 0.105 0.000 0.746 1243 E HN 0.571 nan 8.360 nan 0.000 0.450 1244 R N 0.778 121.377 120.500 0.165 0.000 2.152 1244 R HA -0.147 4.193 4.340 0.000 0.000 0.232 1244 R C 2.291 178.826 176.300 0.391 0.000 1.117 1244 R CA 0.620 56.877 56.100 0.263 0.000 0.981 1244 R CB -0.125 30.323 30.300 0.247 0.000 0.870 1244 R HN 0.131 nan 8.270 nan 0.000 0.451 1245 L N 0.423 121.819 121.223 0.288 0.000 2.201 1245 L HA -0.050 4.290 4.340 0.000 0.000 0.212 1245 L C 1.604 178.682 176.870 0.347 0.000 1.105 1245 L CA 1.488 56.504 54.840 0.293 0.000 0.775 1245 L CB -0.058 42.150 42.059 0.248 0.000 0.913 1245 L HN 0.176 nan 8.230 nan 0.000 0.440 1246 I N -1.229 119.562 120.570 0.368 0.000 3.854 1246 I HA 0.002 4.172 4.170 0.000 0.000 0.312 1246 I C 2.247 178.505 176.117 0.236 0.000 1.273 1246 I CA 0.928 62.411 61.300 0.305 0.000 1.298 1246 I CB -0.093 38.149 38.000 0.402 0.000 1.071 1246 I HN 0.367 nan 8.210 nan 0.000 0.428 1247 S N -0.199 115.641 115.700 0.233 0.000 2.523 1247 S HA -0.255 4.215 4.470 0.000 0.000 0.264 1247 S C 1.224 175.764 174.600 -0.100 0.000 0.978 1247 S CA 1.445 59.686 58.200 0.068 0.000 0.963 1247 S CB -1.002 62.216 63.200 0.029 0.000 0.737 1247 S HN 0.574 nan 8.310 nan 0.000 0.528 1248 H N -0.008 119.034 119.070 -0.046 0.000 2.492 1248 H HA 0.501 5.057 4.556 0.000 0.000 0.264 1248 H C -0.121 175.186 175.328 -0.035 0.000 1.150 1248 H CA -0.323 55.672 56.048 -0.089 0.000 0.962 1248 H CB 0.158 29.831 29.762 -0.149 0.000 1.766 1248 H HN 0.375 nan 8.280 nan 0.000 0.589 1284 E N 3.156 123.532 120.200 0.292 0.000 2.148 1284 E HA 0.085 4.435 4.350 0.000 0.000 0.308 1284 E C 1.530 178.248 176.600 0.196 0.000 1.278 1284 E CA -0.232 56.365 56.400 0.328 0.000 1.368 1284 E CB 0.101 29.924 29.700 0.204 0.000 1.229 1284 E HN 0.552 nan 8.360 nan 0.000 0.494 1285 I N -0.710 119.960 120.570 0.167 0.000 3.185 1285 I HA -0.060 4.110 4.170 0.000 0.000 0.286 1285 I C 0.285 176.474 176.117 0.120 0.000 1.323 1285 I CA 0.241 61.610 61.300 0.115 0.000 1.392 1285 I CB -0.199 37.855 38.000 0.091 0.000 1.063 1285 I HN 0.133 nan 8.210 nan 0.000 0.525 1286 S N -0.144 115.646 115.700 0.150 0.000 2.614 1286 S HA 0.343 4.813 4.470 0.000 0.000 0.280 1286 S C -2.866 171.829 174.600 0.159 0.000 1.111 1286 S CA -0.807 57.471 58.200 0.130 0.000 0.847 1286 S CB 1.272 64.551 63.200 0.132 0.000 1.079 1286 S HN -0.074 nan 8.310 nan 0.000 0.452 1287 P HA 0.191 nan 4.420 nan 0.000 0.253 1287 P C -0.362 177.053 177.300 0.192 0.000 1.170 1287 P CA 1.075 64.259 63.100 0.139 0.000 0.806 1287 P CB -0.619 31.131 31.700 0.084 0.000 0.775 1288 N N 0.680 119.564 118.700 0.307 0.000 2.754 1288 N HA -0.186 4.554 4.740 0.000 0.000 0.248 1288 N C -0.689 174.997 175.510 0.295 0.000 1.093 1288 N CA 0.447 53.702 53.050 0.342 0.000 0.699 1288 N CB -1.525 37.074 38.487 0.187 0.000 1.016 1288 N HN 0.402 nan 8.380 nan 0.000 0.552 1289 L N 0.309 121.747 121.223 0.360 0.000 2.372 1289 L HA 0.511 4.851 4.340 0.000 0.000 0.273 1289 L C -0.982 176.163 176.870 0.459 0.000 0.989 1289 L CA -0.790 54.258 54.840 0.347 0.000 0.841 1289 L CB 0.718 42.942 42.059 0.275 0.000 1.225 1289 L HN 0.233 nan 8.230 nan 0.000 0.414 1290 W N 3.685 125.125 121.300 0.233 0.000 2.573 1290 W HA 0.553 5.213 4.660 0.000 0.000 0.326 1290 W C 0.157 176.769 176.519 0.155 0.000 1.049 1290 W CA -0.604 56.882 57.345 0.236 0.000 1.220 1290 W CB 2.039 31.670 29.460 0.285 0.000 1.373 1290 W HN 0.511 nan 8.180 nan 0.000 0.507 1291 A N 4.084 126.779 122.820 -0.208 0.000 2.423 1291 A HA 0.316 4.637 4.320 0.000 0.000 0.246 1291 A C 1.664 178.844 177.584 -0.672 0.000 1.278 1291 A CA 0.518 52.382 52.037 -0.290 0.000 0.903 1291 A CB -0.595 18.301 19.000 -0.174 0.000 0.997 1291 A HN 0.886 nan 8.150 nan 0.000 0.510 1292 G N 0.645 108.486 108.800 -1.599 0.000 2.476 1292 G HA2 -0.265 3.695 3.960 0.000 0.000 0.218 1292 G HA3 -0.265 3.695 3.960 0.000 0.000 0.218 1292 G C 1.569 175.851 174.900 -1.029 0.000 1.164 1292 G CA 1.982 45.757 45.100 -2.208 0.000 0.768 1292 G HN 1.002 nan 8.290 nan 0.000 0.560 1293 V N -0.821 118.717 119.914 -0.626 0.000 2.720 1293 V HA 0.087 4.207 4.120 0.000 0.000 0.256 1293 V C 2.519 178.459 176.094 -0.257 0.000 1.082 1293 V CA 1.889 64.021 62.300 -0.281 0.000 1.101 1293 V CB -1.037 30.656 31.823 -0.216 0.000 0.693 1293 V HN 0.299 nan 8.190 nan 0.000 0.479 1294 G N -0.260 108.373 108.800 -0.278 0.000 2.813 1294 G HA2 -0.000 3.960 3.960 0.000 0.000 0.209 1294 G HA3 -0.000 3.960 3.960 0.000 0.000 0.209 1294 G C 1.134 175.905 174.900 -0.214 0.000 1.150 1294 G CA 0.222 45.186 45.100 -0.226 0.000 0.785 1294 G HN 0.465 nan 8.290 nan 0.000 0.535 1295 L N 0.841 121.914 121.223 -0.248 0.000 2.633 1295 L HA 0.230 4.570 4.340 0.000 0.000 0.235 1295 L C 0.438 177.229 176.870 -0.133 0.000 1.163 1295 L CA 0.520 55.244 54.840 -0.192 0.000 0.859 1295 L CB -0.083 41.847 42.059 -0.214 0.000 0.973 1295 L HN -0.037 nan 8.230 nan 0.000 0.451 1296 V N -0.432 119.403 119.914 -0.132 0.000 3.040 1296 V HA 0.333 4.453 4.120 0.000 0.000 0.312 1296 V C 0.528 176.564 176.094 -0.096 0.000 1.115 1296 V CA -1.034 61.210 62.300 -0.094 0.000 0.998 1296 V CB 2.076 33.850 31.823 -0.082 0.000 1.042 1296 V HN 0.236 nan 8.190 nan 0.000 0.433 1297 R N 1.683 122.140 120.500 -0.071 0.000 3.457 1297 R HA 0.301 4.641 4.340 0.000 0.000 0.218 1297 R C -0.089 176.166 176.300 -0.075 0.000 1.833 1297 R CA 0.734 56.791 56.100 -0.073 0.000 1.554 1297 R CB -0.769 29.501 30.300 -0.049 0.000 1.143 1297 R HN 1.015 nan 8.270 nan 0.000 0.557 1298 G N -1.569 107.177 108.800 -0.091 0.000 2.433 1298 G HA2 0.461 4.421 3.960 0.000 0.000 0.306 1298 G HA3 0.461 4.421 3.960 0.000 0.000 0.306 1298 G C -0.543 174.306 174.900 -0.086 0.000 1.627 1298 G CA 0.029 45.074 45.100 -0.092 0.000 0.893 1298 G HN 0.612 nan 8.290 nan 0.000 0.648 1299 G N -0.403 108.342 108.800 -0.091 0.000 2.265 1299 G HA2 0.477 4.438 3.960 0.000 0.000 0.246 1299 G HA3 0.477 4.438 3.960 0.000 0.000 0.246 1299 G C 0.615 175.527 174.900 0.019 0.000 1.299 1299 G CA 0.727 45.795 45.100 -0.054 0.000 1.117 1299 G HN 2.146 nan 8.290 nan 0.000 0.485 1300 A N 0.052 122.910 122.820 0.064 0.000 2.411 1300 A HA 0.577 4.897 4.320 0.000 0.000 0.251 1300 A C 2.476 180.110 177.584 0.083 0.000 1.317 1300 A CA 1.623 53.802 52.037 0.238 0.000 0.904 1300 A CB -1.079 18.058 19.000 0.228 0.000 0.993 1300 A HN 2.821 nan 8.150 nan 0.000 0.504 1301 G N 0.350 109.086 108.800 -0.107 0.000 3.051 1301 G HA2 -0.420 3.540 3.960 0.000 0.000 0.233 1301 G HA3 -0.420 3.540 3.960 0.000 0.000 0.233 1301 G C 0.873 175.740 174.900 -0.055 0.000 1.113 1301 G CA 1.961 46.975 45.100 -0.144 0.000 0.906 1301 G HN 1.687 nan 8.290 nan 0.000 0.610 1302 T N -3.058 111.536 114.554 0.067 0.000 2.916 1302 T HA 0.881 5.232 4.350 0.000 0.000 0.292 1302 T C -0.581 174.268 174.700 0.249 0.000 1.064 1302 T CA 0.323 62.509 62.100 0.143 0.000 1.011 1302 T CB 2.440 71.413 68.868 0.176 0.000 1.152 1302 T HN 1.859 nan 8.240 nan 0.000 0.510 1303 A N 1.769 124.786 122.820 0.328 0.000 2.488 1303 A HA 0.668 4.988 4.320 0.000 0.000 0.298 1303 A C -0.823 176.938 177.584 0.295 0.000 1.044 1303 A CA -0.893 51.366 52.037 0.371 0.000 0.693 1303 A CB 1.215 20.537 19.000 0.536 0.000 1.272 1303 A HN 0.941 nan 8.150 nan 0.000 0.402 1304 L N 2.779 124.131 121.223 0.215 0.000 2.342 1304 L HA 0.319 4.659 4.340 0.000 0.000 0.285 1304 L C -0.664 176.220 176.870 0.023 0.000 1.095 1304 L CA -0.369 54.563 54.840 0.153 0.000 0.843 1304 L CB 0.804 42.961 42.059 0.163 0.000 1.201 1304 L HN 0.475 nan 8.230 nan 0.000 0.445 1305 V N 3.537 123.391 119.914 -0.098 0.000 2.370 1305 V HA 0.878 4.998 4.120 0.000 0.000 0.283 1305 V C 0.532 176.360 176.094 -0.444 0.000 1.023 1305 V CA -0.291 61.755 62.300 -0.423 0.000 0.857 1305 V CB 1.059 32.287 31.823 -0.992 0.000 0.985 1305 V HN 0.931 nan 8.190 nan 0.000 0.443 1306 G N 3.776 112.369 108.800 -0.345 0.000 2.342 1306 G HA2 0.463 4.423 3.960 0.000 0.000 0.297 1306 G HA3 0.463 4.423 3.960 0.000 0.000 0.297 1306 G C -1.424 173.388 174.900 -0.145 0.000 1.313 1306 G CA -0.312 44.655 45.100 -0.223 0.000 0.830 1306 G HN 0.742 nan 8.290 nan 0.000 0.506 1307 D N -0.865 119.488 120.400 -0.079 0.000 2.398 1307 D HA 0.489 5.129 4.640 0.000 0.000 0.264 1307 D C 1.719 177.996 176.300 -0.037 0.000 1.263 1307 D CA 0.533 54.502 54.000 -0.051 0.000 1.037 1307 D CB 0.060 40.846 40.800 -0.023 0.000 1.101 1307 D HN 0.721 nan 8.370 nan 0.000 0.551 1308 G N -0.626 108.158 108.800 -0.026 0.000 2.484 1308 G HA2 -0.122 3.838 3.960 0.000 0.000 0.215 1308 G HA3 -0.122 3.838 3.960 0.000 0.000 0.215 1308 G C -0.675 174.218 174.900 -0.013 0.000 1.219 1308 G CA 0.850 45.939 45.100 -0.019 0.000 0.791 1308 G HN 0.572 nan 8.290 nan 0.000 0.550 1309 P HA -0.122 nan 4.420 nan 0.000 0.218 1309 P C 1.896 179.194 177.300 -0.003 0.000 1.148 1309 P CA 2.066 65.163 63.100 -0.006 0.000 0.822 1309 P CB -0.225 31.473 31.700 -0.003 0.000 0.784 1310 T N -1.193 113.362 114.554 0.001 0.000 2.904 1310 T HA -0.031 4.319 4.350 0.000 0.000 0.267 1310 T C 1.854 176.559 174.700 0.008 0.000 1.059 1310 T CA 0.931 63.037 62.100 0.010 0.000 1.137 1310 T CB -0.741 68.140 68.868 0.021 0.000 0.879 1310 T HN -0.191 nan 8.240 nan 0.000 0.467 1311 V N 1.654 121.568 119.914 -0.001 0.000 2.453 1311 V HA 0.069 4.189 4.120 0.000 0.000 0.247 1311 V C 3.084 179.180 176.094 0.002 0.000 1.048 1311 V CA 1.447 63.752 62.300 0.009 0.000 1.049 1311 V CB -1.213 30.611 31.823 0.001 0.000 0.672 1311 V HN 0.617 nan 8.190 nan 0.000 0.457 1312 A N 0.257 123.070 122.820 -0.012 0.000 1.908 1312 A HA -0.165 4.156 4.320 0.000 0.000 0.218 1312 A C 2.444 180.010 177.584 -0.029 0.000 1.181 1312 A CA 2.196 54.215 52.037 -0.031 0.000 0.627 1312 A CB -0.798 18.187 19.000 -0.026 0.000 0.818 1312 A HN 0.554 nan 8.150 nan 0.000 0.445 1313 A N -0.249 122.563 122.820 -0.014 0.000 1.851 1313 A HA -0.186 4.134 4.320 0.000 0.000 0.216 1313 A C 2.133 179.707 177.584 -0.017 0.000 1.195 1313 A CA 1.719 53.748 52.037 -0.012 0.000 0.622 1313 A CB -0.481 18.515 19.000 -0.005 0.000 0.831 1313 A HN 0.388 nan 8.150 nan 0.000 0.444 1314 R N -0.321 120.174 120.500 -0.008 0.000 2.193 1314 R HA 0.019 4.359 4.340 0.000 0.000 0.229 1314 R C 1.857 178.183 176.300 0.045 0.000 1.110 1314 R CA 0.646 56.726 56.100 -0.034 0.000 0.988 1314 R CB -0.921 29.384 30.300 0.010 0.000 0.871 1314 R HN 0.528 nan 8.270 nan 0.000 0.458 1315 I N 1.429 122.033 120.570 0.056 0.000 2.193 1315 I HA -0.216 3.955 4.170 0.000 0.000 0.240 1315 I C 1.690 177.825 176.117 0.031 0.000 1.084 1315 I CA 1.105 62.408 61.300 0.006 0.000 1.365 1315 I CB -0.832 37.013 38.000 -0.259 0.000 1.064 1315 I HN 0.134 nan 8.210 nan 0.000 0.410 1316 N N 0.831 119.524 118.700 -0.012 0.000 2.069 1316 N HA -0.246 4.494 4.740 0.000 0.000 0.191 1316 N C 1.770 177.335 175.510 0.093 0.000 1.031 1316 N CA 1.284 54.355 53.050 0.035 0.000 0.852 1316 N CB -0.351 38.137 38.487 0.002 0.000 1.018 1316 N HN 0.423 nan 8.380 nan 0.000 0.423 1317 E N 0.157 120.378 120.200 0.035 0.000 2.086 1317 E HA -0.241 4.109 4.350 0.000 0.000 0.205 1317 E C 1.687 178.327 176.600 0.066 0.000 1.027 1317 E CA 1.413 57.807 56.400 -0.010 0.000 0.830 1317 E CB -0.229 29.392 29.700 -0.131 0.000 0.751 1317 E HN 0.508 nan 8.360 nan 0.000 0.456 1318 Y N -0.382 120.014 120.300 0.160 0.000 2.274 1318 Y HA -0.190 4.360 4.550 0.000 0.000 0.290 1318 Y C 2.364 178.405 175.900 0.235 0.000 1.145 1318 Y CA 0.572 58.803 58.100 0.218 0.000 1.203 1318 Y CB -0.058 38.628 38.460 0.376 0.000 0.984 1318 Y HN 0.211 nan 8.280 nan 0.000 0.533 1319 A N -0.144 122.951 122.820 0.457 0.000 2.014 1319 A HA -0.057 4.264 4.320 0.000 0.000 0.218 1319 A C 2.323 180.017 177.584 0.184 0.000 1.163 1319 A CA 1.238 53.482 52.037 0.344 0.000 0.652 1319 A CB -0.904 18.282 19.000 0.311 0.000 0.808 1319 A HN 0.402 nan 8.150 nan 0.000 0.449 1320 A N 0.035 122.939 122.820 0.141 0.000 1.972 1320 A HA 0.014 4.335 4.320 0.000 0.000 0.219 1320 A C 1.863 179.487 177.584 0.066 0.000 1.169 1320 A CA 1.288 53.373 52.037 0.080 0.000 0.635 1320 A CB -0.533 18.498 19.000 0.051 0.000 0.810 1320 A HN 0.496 nan 8.150 nan 0.000 0.446 1321 L N -1.487 119.787 121.223 0.085 0.000 2.599 1321 L HA 0.230 4.571 4.340 0.000 0.000 0.230 1321 L C 1.501 178.367 176.870 -0.006 0.000 1.141 1321 L CA 0.528 55.391 54.840 0.038 0.000 0.877 1321 L CB -0.376 41.719 42.059 0.060 0.000 1.009 1321 L HN 0.554 nan 8.230 nan 0.000 0.447 1322 G N 0.300 109.124 108.800 0.040 0.000 2.154 1322 G HA2 -0.173 3.788 3.960 0.000 0.000 0.186 1322 G HA3 -0.173 3.788 3.960 0.000 0.000 0.186 1322 G C 0.119 175.071 174.900 0.086 0.000 1.000 1322 G CA -0.685 44.438 45.100 0.039 0.000 0.664 1322 G HN 0.139 nan 8.290 nan 0.000 0.513 1323 I N 2.241 122.852 120.570 0.068 0.000 2.337 1323 I HA 0.290 4.460 4.170 0.000 0.000 0.291 1323 I C 0.989 177.101 176.117 -0.009 0.000 1.046 1323 I CA 0.517 61.792 61.300 -0.042 0.000 1.324 1323 I CB 1.104 38.959 38.000 -0.242 0.000 1.409 1323 I HN 0.358 nan 8.210 nan 0.000 0.494 1324 D N 2.847 123.230 120.400 -0.027 0.000 2.407 1324 D HA 0.035 4.675 4.640 0.000 0.000 0.208 1324 D C 0.106 176.445 176.300 0.065 0.000 1.083 1324 D CA -0.015 54.022 54.000 0.061 0.000 0.844 1324 D CB 0.589 41.423 40.800 0.058 0.000 0.967 1324 D HN 0.262 nan 8.370 nan 0.000 0.506 1325 S N -0.536 115.082 115.700 -0.136 0.000 2.538 1325 S HA 0.555 5.025 4.470 0.000 0.000 0.288 1325 S C -1.368 173.019 174.600 -0.355 0.000 1.108 1325 S CA -0.719 57.445 58.200 -0.061 0.000 0.971 1325 S CB 1.063 64.187 63.200 -0.126 0.000 1.041 1325 S HN 0.143 nan 8.310 nan 0.000 0.483 1326 F N 1.485 121.514 119.950 0.132 0.000 2.496 1326 F HA 0.389 4.916 4.527 0.000 0.000 0.341 1326 F C -0.195 175.730 175.800 0.208 0.000 1.134 1326 F CA -0.852 57.217 58.000 0.115 0.000 0.968 1326 F CB 1.442 40.526 39.000 0.140 0.000 1.205 1326 F HN 0.214 nan 8.300 nan 0.000 0.436 1327 V N 5.859 125.878 119.914 0.175 0.000 2.299 1327 V HA 0.255 4.376 4.120 0.000 0.000 0.255 1327 V C 0.292 176.492 176.094 0.176 0.000 1.100 1327 V CA -0.371 62.045 62.300 0.193 0.000 0.938 1327 V CB -0.258 31.557 31.823 -0.014 0.000 1.139 1327 V HN 0.565 nan 8.190 nan 0.000 0.490 1328 L N 3.722 125.115 121.223 0.284 0.000 2.431 1328 L HA 0.843 5.183 4.340 0.000 0.000 0.260 1328 L C 0.482 177.087 176.870 -0.442 0.000 1.098 1328 L CA -0.177 54.739 54.840 0.127 0.000 0.800 1328 L CB 1.622 43.952 42.059 0.450 0.000 1.210 1328 L HN 0.715 nan 8.230 nan 0.000 0.465 1329 S N -0.914 114.359 115.700 -0.712 0.000 2.588 1329 S HA 0.905 5.375 4.470 0.000 0.000 0.269 1329 S C -0.802 173.158 174.600 -1.066 0.000 1.157 1329 S CA -0.203 57.230 58.200 -1.279 0.000 0.824 1329 S CB 1.999 64.746 63.200 -0.755 0.000 1.126 1329 S HN 1.087 nan 8.310 nan 0.000 0.464 1330 G N -0.181 107.983 108.800 -1.060 0.000 2.601 1330 G HA2 0.577 4.538 3.960 0.000 0.000 0.291 1330 G HA3 0.577 4.538 3.960 0.000 0.000 0.291 1330 G C -2.590 171.852 174.900 -0.763 0.000 1.456 1330 G CA -0.643 44.069 45.100 -0.646 0.000 0.804 1330 G HN 0.622 nan 8.290 nan 0.000 0.499 1331 Y N 0.520 120.736 120.300 -0.141 0.000 2.331 1331 Y HA 0.518 5.068 4.550 0.001 0.000 0.334 1331 Y C -2.114 173.702 175.900 -0.140 0.000 0.960 1331 Y CA -1.599 56.434 58.100 -0.112 0.000 1.130 1331 Y CB 2.661 41.119 38.460 -0.004 0.000 1.164 1331 Y HN 0.300 nan 8.280 nan 0.000 0.458 1332 P HA 0.207 nan 4.420 nan 0.000 0.278 1332 P C -0.134 177.225 177.300 0.098 0.000 1.258 1332 P CA -0.363 62.757 63.100 0.033 0.000 0.811 1332 P CB 0.959 32.618 31.700 -0.069 0.000 1.063 1333 H N -0.465 118.722 119.070 0.194 0.000 2.546 1333 H HA 0.029 4.586 4.556 0.000 0.000 0.277 1333 H C 1.484 177.007 175.328 0.324 0.000 1.004 1333 H CA 0.719 56.989 56.048 0.369 0.000 1.231 1333 H CB -0.268 29.681 29.762 0.312 0.000 1.382 1333 H HN 0.205 nan 8.280 nan 0.000 0.580 1334 L N 0.204 121.594 121.223 0.280 0.000 2.084 1334 L HA -0.095 4.245 4.340 0.000 0.000 0.202 1334 L C 1.555 178.487 176.870 0.102 0.000 1.074 1334 L CA 1.488 56.401 54.840 0.122 0.000 0.757 1334 L CB 0.020 42.162 42.059 0.138 0.000 0.918 1334 L HN 0.205 nan 8.230 nan 0.000 0.444 1335 E N -0.088 120.161 120.200 0.083 0.000 2.072 1335 E HA -0.204 4.146 4.350 0.000 0.000 0.191 1335 E C 2.019 178.632 176.600 0.022 0.000 0.985 1335 E CA 0.914 57.329 56.400 0.026 0.000 0.801 1335 E CB 0.026 29.734 29.700 0.013 0.000 0.750 1335 E HN 0.304 nan 8.360 nan 0.000 0.452 1336 E N 0.108 120.327 120.200 0.033 0.000 2.204 1336 E HA -0.070 4.280 4.350 0.000 0.000 0.194 1336 E C 1.850 178.294 176.600 -0.260 0.000 0.989 1336 E CA 0.920 57.326 56.400 0.011 0.000 0.824 1336 E CB -0.145 29.642 29.700 0.145 0.000 0.756 1336 E HN 0.271 nan 8.360 nan 0.000 0.477 1337 A N -0.469 122.001 122.820 -0.583 0.000 2.066 1337 A HA -0.112 4.208 4.320 0.000 0.000 0.218 1337 A C 1.795 178.992 177.584 -0.644 0.000 1.157 1337 A CA 0.685 51.947 52.037 -1.293 0.000 0.670 1337 A CB -0.468 17.552 19.000 -1.633 0.000 0.804 1337 A HN 0.225 nan 8.150 nan 0.000 0.453 1338 Y N -0.836 119.215 120.300 -0.414 0.000 2.420 1338 Y HA 0.019 4.569 4.550 0.000 0.000 0.292 1338 Y C 2.655 178.393 175.900 -0.270 0.000 1.119 1338 Y CA 1.114 59.038 58.100 -0.293 0.000 1.229 1338 Y CB 0.014 38.358 38.460 -0.193 0.000 1.026 1338 Y HN 0.192 nan 8.280 nan 0.000 0.554 1339 R N -0.493 119.946 120.500 -0.103 0.000 2.055 1339 R HA -0.123 4.217 4.340 0.000 0.000 0.228 1339 R C 2.082 178.280 176.300 -0.171 0.000 1.143 1339 R CA 1.587 57.626 56.100 -0.103 0.000 0.945 1339 R CB -0.623 29.641 30.300 -0.059 0.000 0.841 1339 R HN 0.129 nan 8.270 nan 0.000 0.429 1340 V N 0.116 119.906 119.914 -0.207 0.000 2.469 1340 V HA -0.187 3.933 4.120 0.000 0.000 0.251 1340 V C 2.248 178.043 176.094 -0.499 0.000 1.064 1340 V CA 2.054 64.236 62.300 -0.197 0.000 1.066 1340 V CB -0.760 31.034 31.823 -0.048 0.000 0.667 1340 V HN 0.591 nan 8.190 nan 0.000 0.461 1341 G N -0.904 107.453 108.800 -0.737 0.000 2.464 1341 G HA2 -0.127 3.834 3.960 0.000 0.000 0.217 1341 G HA3 -0.127 3.834 3.960 0.000 0.000 0.217 1341 G C 1.466 176.010 174.900 -0.594 0.000 1.138 1341 G CA 0.523 44.894 45.100 -1.216 0.000 0.793 1341 G HN 0.578 nan 8.290 nan 0.000 0.539 1342 E N -0.729 119.276 120.200 -0.324 0.000 2.201 1342 E HA 0.122 4.472 4.350 0.000 0.000 0.193 1342 E C 2.110 178.652 176.600 -0.097 0.000 0.957 1342 E CA -0.122 56.182 56.400 -0.159 0.000 0.858 1342 E CB 0.126 29.773 29.700 -0.089 0.000 0.816 1342 E HN 0.178 nan 8.360 nan 0.000 0.475 1343 L N 0.465 121.630 121.223 -0.098 0.000 2.168 1343 L HA 0.046 4.386 4.340 0.000 0.000 0.203 1343 L C 1.990 178.845 176.870 -0.026 0.000 1.078 1343 L CA 1.248 56.056 54.840 -0.053 0.000 0.780 1343 L CB -0.484 41.545 42.059 -0.050 0.000 0.939 1343 L HN 0.131 nan 8.230 nan 0.000 0.451 1344 L N -2.293 118.919 121.223 -0.019 0.000 2.121 1344 L HA -0.082 4.258 4.340 0.000 0.000 0.200 1344 L C 2.456 179.425 176.870 0.165 0.000 1.077 1344 L CA 0.834 55.713 54.840 0.065 0.000 0.766 1344 L CB -0.422 41.702 42.059 0.109 0.000 0.931 1344 L HN 0.103 nan 8.230 nan 0.000 0.452 1345 F N 0.519 120.381 119.950 -0.147 0.000 2.111 1345 F HA -0.263 4.264 4.527 0.000 0.000 0.300 1345 F C -0.242 175.487 175.800 -0.118 0.000 1.088 1345 F CA 0.942 58.845 58.000 -0.162 0.000 1.243 1345 F CB -1.714 37.153 39.000 -0.221 0.000 0.996 1345 F HN 0.214 nan 8.300 nan 0.000 0.483 1346 P HA -0.149 nan 4.420 nan 0.000 0.221 1346 P C 1.047 178.348 177.300 0.002 0.000 1.145 1346 P CA 1.344 64.459 63.100 0.025 0.000 0.795 1346 P CB -0.055 31.651 31.700 0.010 0.000 0.775 1347 L N -2.649 118.576 121.223 0.004 0.000 2.640 1347 L HA 0.216 4.557 4.340 0.000 0.000 0.230 1347 L C 0.712 177.562 176.870 -0.034 0.000 1.123 1347 L CA -0.003 54.829 54.840 -0.014 0.000 0.900 1347 L CB -0.030 42.023 42.059 -0.010 0.000 1.146 1347 L HN -0.058 nan 8.230 nan 0.000 0.484 1348 L N -1.150 120.041 121.223 -0.054 0.000 2.309 1348 L HA 0.398 4.738 4.340 0.000 0.000 0.261 1348 L C -0.637 176.164 176.870 -0.115 0.000 1.021 1348 L CA -0.738 54.044 54.840 -0.097 0.000 0.823 1348 L CB 2.037 44.006 42.059 -0.149 0.000 1.366 1348 L HN -0.243 nan 8.230 nan 0.000 0.423 1349 D N 1.754 122.088 120.400 -0.109 0.000 2.564 1349 D HA 0.232 4.872 4.640 0.000 0.000 0.226 1349 D C -0.576 175.640 176.300 -0.139 0.000 1.149 1349 D CA -0.219 53.722 54.000 -0.098 0.000 0.994 1349 D CB 0.571 41.338 40.800 -0.056 0.000 1.029 1349 D HN 0.243 nan 8.370 nan 0.000 0.517 1350 V N 1.235 121.012 119.914 -0.228 0.000 2.583 1350 V HA 0.694 4.814 4.120 0.000 0.000 0.287 1350 V C 0.263 176.219 176.094 -0.229 0.000 1.051 1350 V CA -0.829 61.275 62.300 -0.325 0.000 1.010 1350 V CB 0.975 32.375 31.823 -0.706 0.000 0.988 1350 V HN 0.454 nan 8.190 nan 0.000 0.478 1351 A N 7.052 129.768 122.820 -0.172 0.000 2.438 1351 A HA 0.570 4.891 4.320 0.000 0.000 0.280 1351 A C 0.008 177.506 177.584 -0.142 0.000 1.160 1351 A CA -0.393 51.577 52.037 -0.112 0.000 0.821 1351 A CB -0.862 18.107 19.000 -0.052 0.000 1.101 1351 A HN 1.373 nan 8.150 nan 0.000 0.515 1352 I N 2.916 123.413 120.570 -0.121 0.000 2.322 1352 I HA 0.392 4.562 4.170 0.000 0.000 0.292 1352 I C -1.714 174.354 176.117 -0.082 0.000 1.060 1352 I CA -2.681 58.553 61.300 -0.111 0.000 1.309 1352 I CB -0.181 37.764 38.000 -0.091 0.000 1.415 1352 I HN 0.382 nan 8.210 nan 0.000 0.492 1353 P HA 0.195 nan 4.420 nan 0.000 0.271 1353 P C -0.625 176.638 177.300 -0.063 0.000 1.233 1353 P CA -0.183 62.870 63.100 -0.080 0.000 0.789 1353 P CB 0.972 32.607 31.700 -0.109 0.000 0.951 1354 E N 0.182 120.350 120.200 -0.053 0.000 2.256 1354 E HA 0.443 4.794 4.350 0.000 0.000 0.267 1354 E C -0.285 176.292 176.600 -0.039 0.000 0.892 1354 E CA -0.995 55.381 56.400 -0.040 0.000 0.775 1354 E CB 1.686 31.367 29.700 -0.030 0.000 1.207 1354 E HN 0.374 nan 8.360 nan 0.000 0.420 1355 I N 4.056 124.608 120.570 -0.030 0.000 2.471 1355 I HA 0.144 4.314 4.170 0.000 0.000 0.286 1355 I C -1.808 174.299 176.117 -0.017 0.000 1.079 1355 I CA -1.617 59.668 61.300 -0.024 0.000 1.398 1355 I CB 0.162 38.152 38.000 -0.016 0.000 1.403 1355 I HN 0.207 nan 8.210 nan 0.000 0.530 1356 P HA 0.166 nan 4.420 nan 0.000 0.282 1356 P C -0.989 176.311 177.300 -0.001 0.000 1.249 1356 P CA -0.636 62.461 63.100 -0.006 0.000 0.806 1356 P CB 0.909 32.607 31.700 -0.003 0.000 0.984 1357 Q N 1.948 121.748 119.800 -0.000 0.000 2.443 1357 Q HA 0.293 4.633 4.340 0.000 0.000 0.232 1357 Q C -1.997 174.006 176.000 0.005 0.000 1.026 1357 Q CA -1.625 54.179 55.803 0.002 0.000 0.924 1357 Q CB -1.038 27.701 28.738 0.001 0.000 1.256 1357 Q HN 0.380 nan 8.270 nan 0.000 0.519 1358 P HA 0.057 nan 4.420 nan 0.000 0.276 1358 P C -0.650 176.655 177.300 0.007 0.000 1.230 1358 P CA -0.209 62.895 63.100 0.007 0.000 0.776 1358 P CB 0.566 32.269 31.700 0.005 0.000 0.888 1359 Q N 4.173 123.978 119.800 0.009 0.000 2.315 1359 Q HA 0.121 4.462 4.340 0.000 0.000 0.289 1359 Q C -1.827 174.178 176.000 0.007 0.000 1.044 1359 Q CA -1.021 54.788 55.803 0.010 0.000 0.920 1359 Q CB -0.646 28.100 28.738 0.012 0.000 1.214 1359 Q HN 0.343 nan 8.270 nan 0.000 0.392 1360 P HA 0.037 nan 4.420 nan 0.000 0.271 1360 P C -0.560 176.743 177.300 0.006 0.000 1.216 1360 P CA 0.012 63.116 63.100 0.006 0.000 0.776 1360 P CB 0.733 32.436 31.700 0.006 0.000 0.881 1361 L N 0.000 121.226 121.223 0.004 0.000 2.949 1361 L HA 0.000 4.340 4.340 0.000 0.000 0.249 1361 L CA 0.000 54.843 54.840 0.004 0.000 0.813 1361 L CB 0.000 42.061 42.059 0.003 0.000 0.961 1361 L HN 0.000 nan 8.230 nan 0.000 0.502