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 1vfs_1_B DATA FIRST_RESID 1003 DATA SEQUENCE ETPTRVYAEI DLDAVRANVR ALRARAPRSA LMAVVKSNAY GHGAVPCARA DATA SEQUENCE AQEAGAAWLG TATPEEALEL RAAGIQGRIM CWLWTPGGPW REAIETDIDV DATA SEQUENCE SVSGMWALDE VRAAARAAGR TARIQLXADT GLGRNGCQPA DWAELVGAAV DATA SEQUENCE AAQAEGTVQV TGVWSHFACA DEPGHPSIRL QLDAFRDMLA YAEKEGVDPE DATA SEQUENCE VRHIANSPAT LTLPETHFDL VRTGLAVYGV SPSPELGTPA QLGLRPAMTL DATA SEQUENCE RASLALVKTV PAGHGVSYGH HYVTESETHL ALVPAGYADG IPRNASGRGP DATA SEQUENCE VLVAGKIRRA AGRIAMDQFV VDLGEDLAEA GDEAVILGDA ERGEPTAEDW DATA SEQUENCE AQAAHTIAYE IVTRIGGRVP RVYLGGLEHH HH 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 1003 E HA 0.000 nan 4.350 nan 0.000 0.291 1003 E C 0.000 176.527 176.600 -0.122 0.000 1.382 1003 E CA 0.000 56.357 56.400 -0.072 0.000 0.976 1003 E CB 0.000 29.663 29.700 -0.061 0.000 0.812 1004 T N 4.091 118.553 114.554 -0.153 0.000 2.762 1004 T HA 0.411 4.801 4.350 0.067 0.000 0.303 1004 T C -2.606 171.950 174.700 -0.241 0.000 0.977 1004 T CA -0.993 60.937 62.100 -0.284 0.000 0.961 1004 T CB 1.095 69.795 68.868 -0.280 0.000 0.944 1004 T HN 0.124 nan 8.240 nan 0.000 0.481 1005 P HA -0.073 nan 4.420 nan 0.000 0.261 1005 P C 1.128 178.442 177.300 0.023 0.000 1.140 1005 P CA 0.433 63.493 63.100 -0.067 0.000 0.757 1005 P CB 0.341 32.058 31.700 0.028 0.000 0.735 1006 T N 0.495 115.061 114.554 0.020 0.000 3.067 1006 T HA 0.026 4.416 4.350 0.067 0.000 0.257 1006 T C 1.566 176.290 174.700 0.040 0.000 1.105 1006 T CA 0.366 62.483 62.100 0.029 0.000 1.104 1006 T CB 0.146 69.014 68.868 0.001 0.000 0.925 1006 T HN 0.273 nan 8.240 nan 0.000 0.498 1007 R N 0.010 120.535 120.500 0.042 0.000 2.051 1007 R HA 0.512 4.892 4.340 0.067 0.000 0.218 1007 R C 0.013 176.322 176.300 0.015 0.000 1.188 1007 R CA 0.548 56.656 56.100 0.013 0.000 0.992 1007 R CB 0.189 30.486 30.300 -0.004 0.000 0.883 1007 R HN 0.291 nan 8.270 nan 0.000 0.444 1008 V N -0.007 119.934 119.914 0.044 0.000 3.147 1008 V HA 0.490 4.650 4.120 0.067 0.000 0.299 1008 V C -2.133 174.010 176.094 0.083 0.000 1.302 1008 V CA -0.768 61.524 62.300 -0.014 0.000 1.015 1008 V CB 2.127 33.908 31.823 -0.070 0.000 1.086 1008 V HN 0.450 nan 8.190 nan 0.000 0.437 1009 Y N 2.551 122.803 120.300 -0.081 0.000 2.641 1009 Y HA 0.896 5.484 4.550 0.063 0.000 0.333 1009 Y C -0.711 175.117 175.900 -0.120 0.000 1.174 1009 Y CA -0.643 57.400 58.100 -0.096 0.000 1.057 1009 Y CB 1.230 39.639 38.460 -0.086 0.000 1.322 1009 Y HN 1.038 nan 8.280 nan 0.000 0.457 1010 A N 2.068 124.870 122.820 -0.030 0.000 2.256 1010 A HA 0.472 4.832 4.320 0.067 0.000 0.317 1010 A C -0.634 176.896 177.584 -0.091 0.000 1.318 1010 A CA -0.603 51.345 52.037 -0.148 0.000 0.894 1010 A CB 0.427 19.309 19.000 -0.196 0.000 1.165 1010 A HN 0.742 nan 8.150 nan 0.000 0.525 1011 E N 3.395 123.552 120.200 -0.072 0.000 2.152 1011 E HA 0.334 4.724 4.350 0.067 0.000 0.285 1011 E C -0.765 175.773 176.600 -0.104 0.000 1.043 1011 E CA -0.401 55.985 56.400 -0.023 0.000 0.839 1011 E CB 0.369 30.112 29.700 0.071 0.000 1.069 1011 E HN 0.508 nan 8.360 nan 0.000 0.399 1012 I N 4.309 124.757 120.570 -0.205 0.000 2.339 1012 I HA 0.154 4.365 4.170 0.067 0.000 0.290 1012 I C -0.146 175.981 176.117 0.017 0.000 0.994 1012 I CA -0.716 60.519 61.300 -0.108 0.000 1.191 1012 I CB 1.115 38.969 38.000 -0.243 0.000 1.343 1012 I HN 0.546 nan 8.210 nan 0.000 0.458 1013 D N 6.517 126.969 120.400 0.087 0.000 2.428 1013 D HA 0.157 4.838 4.640 0.067 0.000 0.221 1013 D C 0.795 177.176 176.300 0.135 0.000 1.123 1013 D CA -0.410 53.650 54.000 0.100 0.000 0.869 1013 D CB 1.064 41.912 40.800 0.080 0.000 1.032 1013 D HN 0.173 nan 8.370 nan 0.000 0.506 1014 L N 3.144 124.463 121.223 0.161 0.000 2.551 1014 L HA -0.001 4.380 4.340 0.067 0.000 0.228 1014 L C 1.425 178.373 176.870 0.131 0.000 1.153 1014 L CA 0.953 55.895 54.840 0.171 0.000 0.851 1014 L CB -0.460 41.733 42.059 0.222 0.000 0.959 1014 L HN 0.386 nan 8.230 nan 0.000 0.451 1015 D N -0.950 119.514 120.400 0.107 0.000 2.271 1015 D HA 0.063 4.744 4.640 0.067 0.000 0.206 1015 D C 2.161 178.495 176.300 0.055 0.000 0.967 1015 D CA 1.023 55.070 54.000 0.079 0.000 0.867 1015 D CB 0.409 41.251 40.800 0.071 0.000 0.960 1015 D HN 0.239 nan 8.370 nan 0.000 0.509 1016 A N 0.492 123.346 122.820 0.057 0.000 1.929 1016 A HA -0.057 4.304 4.320 0.067 0.000 0.216 1016 A C 2.414 180.005 177.584 0.012 0.000 1.176 1016 A CA 0.712 52.772 52.037 0.037 0.000 0.628 1016 A CB -0.538 18.492 19.000 0.050 0.000 0.816 1016 A HN 0.091 nan 8.150 nan 0.000 0.444 1017 V N 0.425 120.351 119.914 0.019 0.000 2.261 1017 V HA -0.302 3.858 4.120 0.067 0.000 0.246 1017 V C 2.646 178.712 176.094 -0.047 0.000 1.047 1017 V CA 2.367 64.646 62.300 -0.036 0.000 1.015 1017 V CB -0.845 30.977 31.823 -0.002 0.000 0.642 1017 V HN 0.553 nan 8.190 nan 0.000 0.446 1018 R N 0.270 120.771 120.500 0.001 0.000 2.105 1018 R HA -0.135 4.245 4.340 0.067 0.000 0.239 1018 R C 2.354 178.650 176.300 -0.006 0.000 1.135 1018 R CA 1.489 57.592 56.100 0.005 0.000 0.967 1018 R CB -0.613 29.715 30.300 0.047 0.000 0.861 1018 R HN 0.549 nan 8.270 nan 0.000 0.442 1019 A N 1.463 124.282 122.820 -0.002 0.000 1.968 1019 A HA -0.119 4.241 4.320 0.067 0.000 0.217 1019 A C 1.685 179.255 177.584 -0.022 0.000 1.169 1019 A CA 1.157 53.191 52.037 -0.004 0.000 0.638 1019 A CB -0.275 18.728 19.000 0.005 0.000 0.812 1019 A HN 0.229 nan 8.150 nan 0.000 0.446 1020 N N 0.077 118.751 118.700 -0.043 0.000 2.188 1020 N HA -0.121 4.659 4.740 0.067 0.000 0.184 1020 N C 1.781 177.245 175.510 -0.078 0.000 1.018 1020 N CA 1.568 54.578 53.050 -0.067 0.000 0.858 1020 N CB -0.481 37.942 38.487 -0.107 0.000 0.989 1020 N HN 0.406 nan 8.380 nan 0.000 0.426 1021 V N 0.727 120.591 119.914 -0.083 0.000 2.667 1021 V HA -0.032 4.128 4.120 0.067 0.000 0.252 1021 V C 2.117 178.184 176.094 -0.046 0.000 1.065 1021 V CA 1.239 63.492 62.300 -0.078 0.000 1.083 1021 V CB -0.153 31.621 31.823 -0.082 0.000 0.692 1021 V HN 0.076 nan 8.190 nan 0.000 0.468 1022 R N 0.270 120.752 120.500 -0.030 0.000 2.073 1022 R HA 0.162 4.542 4.340 0.067 0.000 0.229 1022 R C 2.472 178.762 176.300 -0.016 0.000 1.120 1022 R CA 1.455 57.545 56.100 -0.016 0.000 0.967 1022 R CB -0.602 29.695 30.300 -0.006 0.000 0.862 1022 R HN 0.609 nan 8.270 nan 0.000 0.436 1023 A N 0.503 123.311 122.820 -0.020 0.000 1.969 1023 A HA -0.075 4.286 4.320 0.067 0.000 0.218 1023 A C 1.999 179.571 177.584 -0.019 0.000 1.169 1023 A CA 1.023 53.051 52.037 -0.015 0.000 0.635 1023 A CB -0.307 18.684 19.000 -0.015 0.000 0.810 1023 A HN 0.198 nan 8.150 nan 0.000 0.445 1024 L N -1.427 119.776 121.223 -0.035 0.000 2.209 1024 L HA -0.035 4.345 4.340 0.067 0.000 0.207 1024 L C 2.765 179.608 176.870 -0.046 0.000 1.094 1024 L CA 0.599 55.413 54.840 -0.043 0.000 0.790 1024 L CB -0.304 41.717 42.059 -0.063 0.000 0.932 1024 L HN 0.321 nan 8.230 nan 0.000 0.447 1025 R N -0.050 120.428 120.500 -0.037 0.000 2.092 1025 R HA -0.111 4.269 4.340 0.067 0.000 0.231 1025 R C 2.363 178.651 176.300 -0.020 0.000 1.119 1025 R CA 1.297 57.378 56.100 -0.031 0.000 0.970 1025 R CB -0.386 29.904 30.300 -0.017 0.000 0.864 1025 R HN 0.316 nan 8.270 nan 0.000 0.440 1026 A N 0.811 123.626 122.820 -0.010 0.000 1.972 1026 A HA -0.171 4.190 4.320 0.067 0.000 0.219 1026 A C 2.093 179.685 177.584 0.013 0.000 1.169 1026 A CA 1.207 53.246 52.037 0.004 0.000 0.635 1026 A CB -0.288 18.715 19.000 0.006 0.000 0.810 1026 A HN 0.129 nan 8.150 nan 0.000 0.446 1027 R N -0.576 119.928 120.500 0.006 0.000 2.092 1027 R HA 0.071 4.451 4.340 0.067 0.000 0.231 1027 R C 0.900 177.233 176.300 0.055 0.000 1.119 1027 R CA 1.264 57.385 56.100 0.034 0.000 0.970 1027 R CB -0.187 30.129 30.300 0.027 0.000 0.864 1027 R HN 0.388 nan 8.270 nan 0.000 0.440 1028 A N 0.396 123.187 122.820 -0.048 0.000 3.165 1028 A HA 0.338 4.698 4.320 0.067 0.000 0.331 1028 A C -2.019 175.552 177.584 -0.021 0.000 1.034 1028 A CA -1.261 50.709 52.037 -0.112 0.000 0.906 1028 A CB 0.532 19.205 19.000 -0.544 0.000 1.054 1028 A HN 0.082 nan 8.150 nan 0.000 0.484 1029 P HA -0.180 nan 4.420 nan 0.000 0.218 1029 P C 0.921 178.244 177.300 0.038 0.000 1.146 1029 P CA 1.142 64.261 63.100 0.032 0.000 0.813 1029 P CB 0.220 31.943 31.700 0.038 0.000 0.778 1030 R N -0.780 119.755 120.500 0.058 0.000 2.334 1030 R HA 0.218 4.598 4.340 0.067 0.000 0.216 1030 R C 0.576 176.913 176.300 0.062 0.000 0.905 1030 R CA 0.120 56.256 56.100 0.060 0.000 1.064 1030 R CB 0.327 30.668 30.300 0.067 0.000 1.046 1030 R HN 0.178 nan 8.270 nan 0.000 0.508 1031 S N -0.491 115.236 115.700 0.045 0.000 2.677 1031 S HA 0.728 5.238 4.470 0.067 0.000 0.304 1031 S C -0.498 174.112 174.600 0.018 0.000 1.108 1031 S CA -1.024 57.199 58.200 0.040 0.000 0.944 1031 S CB 2.004 65.225 63.200 0.035 0.000 1.127 1031 S HN 0.202 nan 8.310 nan 0.000 0.511 1032 A N 1.251 124.083 122.820 0.020 0.000 2.286 1032 A HA 0.686 5.046 4.320 0.067 0.000 0.286 1032 A C -0.709 176.870 177.584 -0.007 0.000 1.097 1032 A CA -0.511 51.549 52.037 0.037 0.000 0.821 1032 A CB 0.244 19.300 19.000 0.094 0.000 1.076 1032 A HN 0.699 nan 8.150 nan 0.000 0.490 1033 L N 2.692 123.932 121.223 0.027 0.000 2.313 1033 L HA 0.510 4.890 4.340 0.067 0.000 0.283 1033 L C -0.633 176.262 176.870 0.040 0.000 1.013 1033 L CA -0.241 54.598 54.840 -0.001 0.000 0.816 1033 L CB 1.163 43.216 42.059 -0.010 0.000 1.236 1033 L HN 0.931 nan 8.230 nan 0.000 0.419 1034 M N 5.213 124.809 119.600 -0.007 0.000 2.101 1034 M HA 0.468 4.988 4.480 0.067 0.000 0.340 1034 M C -0.585 175.736 176.300 0.035 0.000 1.057 1034 M CA -0.537 54.793 55.300 0.050 0.000 0.984 1034 M CB 1.398 33.976 32.600 -0.036 0.000 1.560 1034 M HN 0.747 nan 8.290 nan 0.000 0.435 1035 A N 5.601 128.446 122.820 0.040 0.000 2.310 1035 A HA 0.510 4.870 4.320 0.067 0.000 0.300 1035 A C -0.475 177.137 177.584 0.047 0.000 1.269 1035 A CA -0.547 51.482 52.037 -0.014 0.000 0.909 1035 A CB 0.033 19.001 19.000 -0.053 0.000 1.144 1035 A HN 0.682 nan 8.150 nan 0.000 0.540 1036 V N 4.405 124.362 119.914 0.072 0.000 2.427 1036 V HA 0.186 4.347 4.120 0.067 0.000 0.268 1036 V C 0.922 177.132 176.094 0.192 0.000 1.046 1036 V CA 0.272 62.688 62.300 0.193 0.000 0.970 1036 V CB 0.922 32.937 31.823 0.320 0.000 1.001 1036 V HN 0.901 nan 8.190 nan 0.000 0.476 1037 V N 2.194 122.220 119.914 0.187 0.000 3.006 1037 V HA 0.308 4.469 4.120 0.067 0.000 0.357 1037 V C 0.614 176.831 176.094 0.204 0.000 1.377 1037 V CA -0.770 61.660 62.300 0.217 0.000 1.198 1037 V CB -0.772 31.127 31.823 0.128 0.000 1.216 1037 V HN 0.854 nan 8.190 nan 0.000 0.520 1038 K N -0.423 120.121 120.400 0.240 0.000 2.187 1038 K HA 0.476 4.836 4.320 0.067 0.000 0.247 1038 K C 0.610 177.303 176.600 0.154 0.000 1.019 1038 K CA 0.499 56.863 56.287 0.128 0.000 0.893 1038 K CB -0.038 32.519 32.500 0.094 0.000 1.025 1038 K HN 0.160 nan 8.250 nan 0.000 0.500 1039 S N 0.566 116.286 115.700 0.034 0.000 3.631 1039 S HA -0.208 4.302 4.470 0.067 0.000 0.366 1039 S C -0.159 174.462 174.600 0.034 0.000 0.993 1039 S CA 1.079 59.278 58.200 -0.001 0.000 1.167 1039 S CB -2.026 61.131 63.200 -0.072 0.000 0.909 1039 S HN 0.994 nan 8.310 nan 0.000 0.478 1040 N N -0.621 118.104 118.700 0.041 0.000 2.754 1040 N HA -0.228 4.552 4.740 0.067 0.000 0.248 1040 N C 0.258 175.823 175.510 0.091 0.000 1.093 1040 N CA 1.771 54.852 53.050 0.052 0.000 0.699 1040 N CB -1.615 36.889 38.487 0.029 0.000 1.016 1040 N HN 2.019 nan 8.380 nan 0.000 0.552 1041 A N -0.450 122.455 122.820 0.142 0.000 2.734 1041 A HA -0.193 4.167 4.320 0.067 0.000 0.296 1041 A C 0.634 178.188 177.584 -0.050 0.000 1.474 1041 A CA 1.156 53.282 52.037 0.148 0.000 0.735 1041 A CB -2.410 16.689 19.000 0.166 0.000 1.062 1041 A HN 1.351 nan 8.150 nan 0.000 0.463 1042 Y N -2.908 117.283 120.300 -0.183 0.000 3.491 1042 Y HA -0.129 4.462 4.550 0.068 0.000 0.215 1042 Y C 2.028 177.873 175.900 -0.091 0.000 1.219 1042 Y CA 2.041 60.034 58.100 -0.180 0.000 1.485 1042 Y CB -1.764 36.467 38.460 -0.382 0.000 1.450 1042 Y HN 2.427 nan 8.280 nan 0.000 0.603 1043 G N -1.855 106.980 108.800 0.058 0.000 2.176 1043 G HA2 -0.394 3.606 3.960 0.067 0.000 0.253 1043 G HA3 -0.394 3.606 3.960 0.067 0.000 0.253 1043 G C 0.562 175.403 174.900 -0.099 0.000 0.979 1043 G CA 0.547 45.628 45.100 -0.031 0.000 0.641 1043 G HN 0.614 nan 8.290 nan 0.000 0.530 1044 H N 0.178 119.180 119.070 -0.113 0.000 2.563 1044 H HA 0.467 5.039 4.556 0.026 0.000 0.264 1044 H C 1.545 176.946 175.328 0.123 0.000 0.957 1044 H CA 1.302 57.332 56.048 -0.030 0.000 1.173 1044 H CB 0.726 30.470 29.762 -0.029 0.000 1.420 1044 H HN 1.481 nan 8.280 nan 0.000 0.551 1045 G N 0.238 109.163 108.800 0.209 0.000 3.224 1045 G HA2 0.092 4.093 3.960 0.067 0.000 0.684 1045 G HA3 0.092 4.093 3.960 0.067 0.000 0.684 1045 G C 0.814 175.804 174.900 0.150 0.000 1.180 1045 G CA -0.131 45.103 45.100 0.223 0.000 1.099 1045 G HN 0.464 nan 8.290 nan 0.000 0.476 1046 A N 2.147 125.022 122.820 0.092 0.000 1.852 1046 A HA 0.030 4.390 4.320 0.067 0.000 0.217 1046 A C 2.688 180.283 177.584 0.018 0.000 1.215 1046 A CA 3.220 55.293 52.037 0.061 0.000 0.641 1046 A CB -0.810 18.209 19.000 0.032 0.000 0.838 1046 A HN 1.615 nan 8.150 nan 0.000 0.450 1047 V N 0.855 120.760 119.914 -0.015 0.000 2.233 1047 V HA -0.201 3.959 4.120 0.067 0.000 0.247 1047 V C 0.011 176.028 176.094 -0.129 0.000 1.050 1047 V CA 2.729 64.993 62.300 -0.061 0.000 1.010 1047 V CB -1.738 30.055 31.823 -0.050 0.000 0.637 1047 V HN 0.408 nan 8.190 nan 0.000 0.444 1048 P HA -0.153 nan 4.420 nan 0.000 0.215 1048 P C 1.819 178.988 177.300 -0.218 0.000 1.157 1048 P CA 1.874 64.796 63.100 -0.297 0.000 0.874 1048 P CB -0.220 31.107 31.700 -0.622 0.000 0.790 1049 C N -1.161 118.104 119.300 -0.058 0.000 2.435 1049 C HA 0.069 4.569 4.460 0.067 0.000 0.279 1049 C C 2.877 177.829 174.990 -0.062 0.000 1.321 1049 C CA 1.012 60.037 59.018 0.012 0.000 1.752 1049 C CB -1.805 26.048 27.740 0.188 0.000 1.959 1049 C HN 0.231 nan 8.230 nan 0.000 0.500 1050 A N 0.578 123.353 122.820 -0.076 0.000 1.929 1050 A HA -0.114 4.247 4.320 0.067 0.000 0.216 1050 A C 2.234 179.723 177.584 -0.158 0.000 1.176 1050 A CA 1.065 53.052 52.037 -0.083 0.000 0.628 1050 A CB -0.413 18.554 19.000 -0.055 0.000 0.816 1050 A HN 0.641 nan 8.150 nan 0.000 0.444 1051 R N -0.453 119.883 120.500 -0.274 0.000 2.075 1051 R HA -0.027 4.353 4.340 0.067 0.000 0.232 1051 R C 2.486 178.449 176.300 -0.563 0.000 1.126 1051 R CA 1.166 57.007 56.100 -0.431 0.000 0.963 1051 R CB -0.421 29.477 30.300 -0.669 0.000 0.858 1051 R HN 0.490 nan 8.270 nan 0.000 0.435 1052 A N 1.317 123.766 122.820 -0.618 0.000 1.898 1052 A HA -0.088 4.272 4.320 0.067 0.000 0.216 1052 A C 2.373 179.897 177.584 -0.100 0.000 1.181 1052 A CA 1.612 53.471 52.037 -0.296 0.000 0.620 1052 A CB -0.634 18.311 19.000 -0.092 0.000 0.819 1052 A HN 0.387 nan 8.150 nan 0.000 0.442 1053 A N -0.796 121.956 122.820 -0.114 0.000 1.877 1053 A HA -0.252 4.109 4.320 0.067 0.000 0.216 1053 A C 2.213 179.767 177.584 -0.051 0.000 1.186 1053 A CA 1.897 53.887 52.037 -0.080 0.000 0.620 1053 A CB -0.704 18.242 19.000 -0.090 0.000 0.822 1053 A HN 0.640 nan 8.150 nan 0.000 0.443 1054 Q N -0.925 118.840 119.800 -0.058 0.000 2.135 1054 Q HA -0.232 4.148 4.340 0.067 0.000 0.204 1054 Q C 2.145 178.143 176.000 -0.003 0.000 0.981 1054 Q CA 1.672 57.457 55.803 -0.031 0.000 0.856 1054 Q CB -0.134 28.580 28.738 -0.040 0.000 0.902 1054 Q HN 0.698 nan 8.270 nan 0.000 0.425 1055 E N -0.100 120.107 120.200 0.012 0.000 2.051 1055 E HA -0.179 4.211 4.350 0.067 0.000 0.192 1055 E C 1.574 178.205 176.600 0.050 0.000 0.991 1055 E CA 1.274 57.717 56.400 0.071 0.000 0.799 1055 E CB -0.121 29.688 29.700 0.181 0.000 0.748 1055 E HN 0.443 nan 8.360 nan 0.000 0.449 1056 A N -0.454 122.385 122.820 0.032 0.000 2.239 1056 A HA 0.114 4.474 4.320 0.067 0.000 0.209 1056 A C 1.496 179.086 177.584 0.009 0.000 1.171 1056 A CA 1.385 53.433 52.037 0.019 0.000 0.768 1056 A CB -0.198 18.805 19.000 0.004 0.000 0.790 1056 A HN 0.400 nan 8.150 nan 0.000 0.478 1057 G N -2.712 106.094 108.800 0.009 0.000 2.151 1057 G HA2 0.230 4.230 3.960 0.067 0.000 0.140 1057 G HA3 0.230 4.230 3.960 0.067 0.000 0.140 1057 G C 0.181 175.087 174.900 0.011 0.000 1.020 1057 G CA -0.058 45.048 45.100 0.010 0.000 0.688 1057 G HN 1.407 nan 8.290 nan 0.000 0.500 1058 A N 0.330 123.154 122.820 0.006 0.000 2.404 1058 A HA 0.807 5.167 4.320 0.067 0.000 0.273 1058 A C 1.493 179.103 177.584 0.044 0.000 1.144 1058 A CA 1.098 53.148 52.037 0.021 0.000 0.806 1058 A CB 0.792 19.794 19.000 0.003 0.000 1.080 1058 A HN 1.661 nan 8.150 nan 0.000 0.509 1059 A N 2.874 125.755 122.820 0.101 0.000 1.975 1059 A HA 0.269 4.629 4.320 0.067 0.000 0.215 1059 A C 0.348 177.984 177.584 0.087 0.000 1.170 1059 A CA 0.587 52.695 52.037 0.118 0.000 0.656 1059 A CB -0.085 19.055 19.000 0.234 0.000 0.821 1059 A HN 0.808 nan 8.150 nan 0.000 0.449 1060 W N -1.783 119.489 121.300 -0.047 0.000 2.902 1060 W HA 0.712 5.410 4.660 0.064 0.000 0.346 1060 W C -0.757 175.737 176.519 -0.041 0.000 1.139 1060 W CA -0.610 56.706 57.345 -0.048 0.000 1.139 1060 W CB 1.124 30.540 29.460 -0.072 0.000 1.439 1060 W HN -0.112 nan 8.180 nan 0.000 0.558 1061 L N 1.719 123.075 121.223 0.223 0.000 2.410 1061 L HA 0.848 5.228 4.340 0.067 0.000 0.270 1061 L C 0.125 177.084 176.870 0.148 0.000 0.983 1061 L CA -0.824 54.090 54.840 0.123 0.000 0.822 1061 L CB 1.893 43.974 42.059 0.036 0.000 1.285 1061 L HN 0.565 nan 8.230 nan 0.000 0.409 1062 G N 0.504 109.379 108.800 0.124 0.000 2.542 1062 G HA2 0.722 4.722 3.960 0.067 0.000 0.311 1062 G HA3 0.722 4.722 3.960 0.067 0.000 0.311 1062 G C -0.798 174.044 174.900 -0.097 0.000 1.298 1062 G CA -0.308 44.843 45.100 0.085 0.000 0.973 1062 G HN 0.516 nan 8.290 nan 0.000 0.487 1063 T N -1.744 112.546 114.554 -0.440 0.000 2.865 1063 T HA 0.706 5.096 4.350 0.067 0.000 0.294 1063 T C 1.017 175.053 174.700 -1.106 0.000 1.119 1063 T CA 0.221 62.019 62.100 -0.504 0.000 1.007 1063 T CB 1.788 70.471 68.868 -0.308 0.000 1.225 1063 T HN 0.983 nan 8.240 nan 0.000 0.515 1064 A N 1.148 123.508 122.820 -0.766 0.000 1.862 1064 A HA 0.373 4.734 4.320 0.067 0.000 0.211 1064 A C 1.528 178.714 177.584 -0.664 0.000 1.220 1064 A CA 1.181 52.701 52.037 -0.861 0.000 0.616 1064 A CB -1.098 17.740 19.000 -0.269 0.000 0.878 1064 A HN 1.251 nan 8.150 nan 0.000 0.453 1065 T N -3.258 111.010 114.554 -0.477 0.000 2.918 1065 T HA 0.474 4.864 4.350 0.067 0.000 0.283 1065 T C -2.023 172.339 174.700 -0.563 0.000 1.001 1065 T CA -1.535 60.260 62.100 -0.507 0.000 1.041 1065 T CB 1.467 70.125 68.868 -0.349 0.000 1.028 1065 T HN -0.027 nan 8.240 nan 0.000 0.511 1066 P HA -0.020 nan 4.420 nan 0.000 0.216 1066 P C 1.258 178.348 177.300 -0.350 0.000 1.153 1066 P CA 0.899 63.601 63.100 -0.663 0.000 0.848 1066 P CB 0.080 31.145 31.700 -1.057 0.000 0.787 1067 E N 0.147 120.156 120.200 -0.319 0.000 2.070 1067 E HA -0.218 4.173 4.350 0.067 0.000 0.197 1067 E C 1.962 178.466 176.600 -0.160 0.000 1.004 1067 E CA 1.409 57.692 56.400 -0.195 0.000 0.805 1067 E CB -0.791 28.806 29.700 -0.171 0.000 0.744 1067 E HN 0.418 nan 8.360 nan 0.000 0.451 1068 E N -0.066 120.022 120.200 -0.187 0.000 2.077 1068 E HA -0.194 4.196 4.350 0.067 0.000 0.193 1068 E C 2.028 178.552 176.600 -0.128 0.000 0.989 1068 E CA 1.018 57.330 56.400 -0.146 0.000 0.800 1068 E CB -0.172 29.427 29.700 -0.169 0.000 0.746 1068 E HN 0.301 nan 8.360 nan 0.000 0.452 1069 A N 0.937 123.663 122.820 -0.156 0.000 1.929 1069 A HA -0.099 4.261 4.320 0.067 0.000 0.216 1069 A C 2.149 179.692 177.584 -0.068 0.000 1.176 1069 A CA 0.821 52.793 52.037 -0.108 0.000 0.628 1069 A CB -0.458 18.479 19.000 -0.106 0.000 0.816 1069 A HN 0.119 nan 8.150 nan 0.000 0.444 1070 L N -0.625 120.554 121.223 -0.073 0.000 2.201 1070 L HA -0.150 4.230 4.340 0.067 0.000 0.212 1070 L C 2.562 179.408 176.870 -0.039 0.000 1.105 1070 L CA 1.544 56.358 54.840 -0.044 0.000 0.775 1070 L CB -0.367 41.665 42.059 -0.045 0.000 0.913 1070 L HN 0.607 nan 8.230 nan 0.000 0.440 1071 E N 0.709 120.878 120.200 -0.051 0.000 2.150 1071 E HA -0.185 4.205 4.350 0.067 0.000 0.193 1071 E C 2.285 178.866 176.600 -0.031 0.000 0.985 1071 E CA 0.734 57.111 56.400 -0.038 0.000 0.814 1071 E CB 0.106 29.780 29.700 -0.043 0.000 0.752 1071 E HN 0.511 nan 8.360 nan 0.000 0.466 1072 L N 0.303 121.504 121.223 -0.037 0.000 2.072 1072 L HA -0.113 4.267 4.340 0.067 0.000 0.205 1072 L C 2.875 179.728 176.870 -0.028 0.000 1.079 1072 L CA 0.812 55.632 54.840 -0.034 0.000 0.752 1072 L CB -0.403 41.633 42.059 -0.039 0.000 0.906 1072 L HN 0.091 nan 8.230 nan 0.000 0.436 1073 R N 0.247 120.731 120.500 -0.026 0.000 2.073 1073 R HA -0.103 4.278 4.340 0.067 0.000 0.234 1073 R C 2.283 178.575 176.300 -0.014 0.000 1.134 1073 R CA 1.451 57.539 56.100 -0.020 0.000 0.952 1073 R CB -0.680 29.611 30.300 -0.015 0.000 0.850 1073 R HN 0.322 nan 8.270 nan 0.000 0.433 1074 A N 1.027 123.839 122.820 -0.013 0.000 2.076 1074 A HA -0.069 4.291 4.320 0.067 0.000 0.220 1074 A C 2.026 179.609 177.584 -0.003 0.000 1.160 1074 A CA 1.657 53.690 52.037 -0.007 0.000 0.653 1074 A CB -0.294 18.700 19.000 -0.009 0.000 0.801 1074 A HN 0.356 nan 8.150 nan 0.000 0.455 1075 A N -1.846 120.970 122.820 -0.007 0.000 2.278 1075 A HA 0.434 4.794 4.320 0.067 0.000 0.212 1075 A C 1.702 179.287 177.584 0.002 0.000 1.213 1075 A CA 1.051 53.087 52.037 -0.001 0.000 0.840 1075 A CB -0.944 18.050 19.000 -0.009 0.000 0.866 1075 A HN 1.828 nan 8.150 nan 0.000 0.489 1076 G N -0.846 107.953 108.800 -0.002 0.000 2.159 1076 G HA2 -0.234 3.766 3.960 0.067 0.000 0.256 1076 G HA3 -0.234 3.766 3.960 0.067 0.000 0.256 1076 G C 0.093 174.989 174.900 -0.006 0.000 0.977 1076 G CA 0.247 45.346 45.100 -0.001 0.000 0.652 1076 G HN 0.442 nan 8.290 nan 0.000 0.531 1077 I N 1.256 121.816 120.570 -0.016 0.000 2.533 1077 I HA 0.308 4.518 4.170 0.067 0.000 0.284 1077 I C 0.925 177.020 176.117 -0.036 0.000 1.109 1077 I CA 0.347 61.631 61.300 -0.026 0.000 1.412 1077 I CB 1.007 38.984 38.000 -0.038 0.000 1.396 1077 I HN 0.271 nan 8.210 nan 0.000 0.543 1078 Q N 3.394 123.170 119.800 -0.040 0.000 2.194 1078 Q HA 0.768 5.148 4.340 0.067 0.000 0.245 1078 Q C 0.111 176.060 176.000 -0.086 0.000 0.993 1078 Q CA -0.314 55.455 55.803 -0.056 0.000 0.930 1078 Q CB 1.906 30.616 28.738 -0.047 0.000 1.238 1078 Q HN 0.886 nan 8.270 nan 0.000 0.486 1079 G N 0.335 109.064 108.800 -0.118 0.000 2.592 1079 G HA2 -0.154 3.847 3.960 0.067 0.000 0.684 1079 G HA3 -0.154 3.847 3.960 0.067 0.000 0.684 1079 G C -1.252 173.486 174.900 -0.270 0.000 1.291 1079 G CA -1.034 43.955 45.100 -0.185 0.000 0.891 1079 G HN 0.446 nan 8.290 nan 0.000 0.544 1080 R N -0.573 119.638 120.500 -0.482 0.000 2.442 1080 R HA 0.503 4.883 4.340 0.067 0.000 0.291 1080 R C 0.131 176.184 176.300 -0.413 0.000 1.069 1080 R CA 0.178 55.839 56.100 -0.732 0.000 1.022 1080 R CB 0.382 29.573 30.300 -1.848 0.000 0.976 1080 R HN 0.483 nan 8.270 nan 0.000 0.443 1081 I N 3.123 123.574 120.570 -0.197 0.000 2.619 1081 I HA 0.387 4.598 4.170 0.067 0.000 0.292 1081 I C -0.297 175.906 176.117 0.143 0.000 1.100 1081 I CA -0.657 60.652 61.300 0.015 0.000 1.043 1081 I CB 2.318 40.308 38.000 -0.017 0.000 1.239 1081 I HN 0.413 nan 8.210 nan 0.000 0.420 1082 M N 6.890 126.621 119.600 0.218 0.000 2.457 1082 M HA 0.708 5.228 4.480 0.067 0.000 0.300 1082 M C -1.539 174.791 176.300 0.050 0.000 1.141 1082 M CA -0.318 55.123 55.300 0.234 0.000 0.901 1082 M CB 1.945 34.748 32.600 0.337 0.000 1.687 1082 M HN 0.871 nan 8.290 nan 0.000 0.449 1083 C N 1.904 121.247 119.300 0.072 0.000 2.797 1083 C HA 0.822 5.322 4.460 0.067 0.000 0.306 1083 C C -0.397 174.692 174.990 0.164 0.000 1.207 1083 C CA -0.569 58.322 59.018 -0.211 0.000 1.507 1083 C CB 0.479 28.069 27.740 -0.251 0.000 2.028 1083 C HN 1.222 nan 8.230 nan 0.000 0.475 1084 W N 0.840 122.266 121.300 0.211 0.000 2.592 1084 W HA 0.494 5.192 4.660 0.063 0.000 0.306 1084 W C -0.141 176.602 176.519 0.373 0.000 0.991 1084 W CA -0.449 57.138 57.345 0.402 0.000 1.430 1084 W CB -0.318 29.422 29.460 0.465 0.000 1.017 1084 W HN 0.472 nan 8.180 nan 0.000 0.557 1085 L N 2.412 123.699 121.223 0.105 0.000 2.302 1085 L HA 0.417 4.798 4.340 0.067 0.000 0.285 1085 L C -1.204 175.613 176.870 -0.090 0.000 1.090 1085 L CA -0.614 54.306 54.840 0.133 0.000 0.866 1085 L CB -0.488 41.589 42.059 0.031 0.000 1.244 1085 L HN 0.044 nan 8.230 nan 0.000 0.435 1086 W N 2.930 124.343 121.300 0.189 0.000 2.639 1086 W HA 0.741 5.442 4.660 0.068 0.000 0.347 1086 W C -0.006 176.726 176.519 0.354 0.000 1.067 1086 W CA -0.410 57.034 57.345 0.165 0.000 1.218 1086 W CB 2.078 31.625 29.460 0.146 0.000 1.393 1086 W HN 0.500 nan 8.180 nan 0.000 0.557 1087 T N -0.518 114.342 114.554 0.510 0.000 2.900 1087 T HA 0.524 4.915 4.350 0.067 0.000 0.295 1087 T C -2.811 172.035 174.700 0.244 0.000 1.044 1087 T CA -2.685 59.571 62.100 0.260 0.000 0.995 1087 T CB 1.594 70.506 68.868 0.074 0.000 1.072 1087 T HN -0.030 nan 8.240 nan 0.000 0.473 1088 P HA 0.302 nan 4.420 nan 0.000 0.262 1088 P C 1.103 178.507 177.300 0.172 0.000 1.182 1088 P CA 1.306 64.382 63.100 -0.039 0.000 0.761 1088 P CB 0.026 31.508 31.700 -0.363 0.000 0.795 1089 G N 1.835 110.850 108.800 0.359 0.000 2.141 1089 G HA2 -0.116 3.884 3.960 0.067 0.000 0.231 1089 G HA3 -0.116 3.884 3.960 0.067 0.000 0.231 1089 G C 0.565 175.595 174.900 0.216 0.000 0.984 1089 G CA -0.345 44.910 45.100 0.259 0.000 0.660 1089 G HN 0.879 nan 8.290 nan 0.000 0.525 1090 G N -0.015 108.917 108.800 0.220 0.000 2.616 1090 G HA2 0.581 4.582 3.960 0.067 0.000 0.268 1090 G HA3 0.581 4.582 3.960 0.067 0.000 0.268 1090 G C -1.198 173.740 174.900 0.063 0.000 1.213 1090 G CA -0.428 44.716 45.100 0.074 0.000 0.926 1090 G HN 0.196 nan 8.290 nan 0.000 0.523 1091 P HA 0.053 nan 4.420 nan 0.000 0.231 1091 P C 0.127 177.586 177.300 0.265 0.000 1.756 1091 P CA -0.321 62.871 63.100 0.153 0.000 0.990 1091 P CB -0.286 31.458 31.700 0.073 0.000 1.973 1092 W N 1.013 122.474 121.300 0.269 0.000 2.333 1092 W HA -0.098 4.603 4.660 0.068 0.000 0.316 1092 W C 2.754 179.312 176.519 0.066 0.000 1.215 1092 W CA 0.782 58.147 57.345 0.032 0.000 1.278 1092 W CB -0.944 28.445 29.460 -0.118 0.000 1.154 1092 W HN 0.139 nan 8.180 nan 0.000 0.486 1093 R N 0.633 121.317 120.500 0.307 0.000 2.103 1093 R HA -0.231 4.149 4.340 0.067 0.000 0.242 1093 R C 1.868 178.258 176.300 0.150 0.000 1.142 1093 R CA 2.218 58.429 56.100 0.184 0.000 0.960 1093 R CB -0.285 30.101 30.300 0.144 0.000 0.858 1093 R HN 0.165 nan 8.270 nan 0.000 0.439 1094 E N -0.140 120.151 120.200 0.151 0.000 2.051 1094 E HA -0.159 4.231 4.350 0.067 0.000 0.192 1094 E C 1.832 178.506 176.600 0.124 0.000 0.991 1094 E CA 1.536 58.004 56.400 0.113 0.000 0.799 1094 E CB -0.237 29.518 29.700 0.091 0.000 0.748 1094 E HN 0.425 nan 8.360 nan 0.000 0.449 1095 A N 0.497 123.429 122.820 0.188 0.000 1.902 1095 A HA -0.181 4.179 4.320 0.067 0.000 0.217 1095 A C 2.255 179.934 177.584 0.158 0.000 1.181 1095 A CA 1.341 53.502 52.037 0.208 0.000 0.623 1095 A CB -0.678 18.547 19.000 0.374 0.000 0.818 1095 A HN 0.199 nan 8.150 nan 0.000 0.443 1096 I N -0.438 120.224 120.570 0.153 0.000 2.179 1096 I HA -0.256 3.955 4.170 0.067 0.000 0.242 1096 I C 2.434 178.596 176.117 0.074 0.000 1.088 1096 I CA 1.642 63.005 61.300 0.106 0.000 1.357 1096 I CB -0.404 37.652 38.000 0.093 0.000 1.051 1096 I HN 0.398 nan 8.210 nan 0.000 0.409 1097 E N -0.105 120.138 120.200 0.071 0.000 2.204 1097 E HA -0.215 4.175 4.350 0.067 0.000 0.195 1097 E C 1.735 178.358 176.600 0.038 0.000 0.990 1097 E CA 1.729 58.159 56.400 0.049 0.000 0.821 1097 E CB -0.152 29.578 29.700 0.049 0.000 0.750 1097 E HN 0.562 nan 8.360 nan 0.000 0.477 1098 T N -1.841 112.740 114.554 0.045 0.000 3.163 1098 T HA 0.069 4.459 4.350 0.067 0.000 0.252 1098 T C 0.129 174.842 174.700 0.021 0.000 1.056 1098 T CA 0.204 62.321 62.100 0.028 0.000 0.947 1098 T CB 0.005 68.890 68.868 0.028 0.000 1.016 1098 T HN -0.001 nan 8.240 nan 0.000 0.554 1099 D N 0.261 120.679 120.400 0.030 0.000 2.737 1099 D HA -0.144 4.537 4.640 0.067 0.000 0.238 1099 D C -0.817 175.496 176.300 0.021 0.000 1.157 1099 D CA 0.412 54.423 54.000 0.019 0.000 0.694 1099 D CB -1.734 39.059 40.800 -0.012 0.000 1.021 1099 D HN 0.716 nan 8.370 nan 0.000 0.420 1100 I N 1.025 121.635 120.570 0.067 0.000 2.404 1100 I HA 0.256 4.466 4.170 0.067 0.000 0.293 1100 I C 0.356 176.564 176.117 0.151 0.000 0.992 1100 I CA -1.002 60.354 61.300 0.093 0.000 1.149 1100 I CB 1.437 39.505 38.000 0.114 0.000 1.315 1100 I HN -0.047 nan 8.210 nan 0.000 0.446 1101 D N 5.475 125.979 120.400 0.174 0.000 2.417 1101 D HA 0.248 4.928 4.640 0.067 0.000 0.250 1101 D C -0.340 176.131 176.300 0.284 0.000 1.166 1101 D CA 0.274 54.415 54.000 0.234 0.000 0.881 1101 D CB 1.012 42.014 40.800 0.337 0.000 1.164 1101 D HN 0.243 nan 8.370 nan 0.000 0.467 1102 V N 0.044 120.125 119.914 0.278 0.000 2.581 1102 V HA 0.628 4.788 4.120 0.067 0.000 0.303 1102 V C 0.113 176.410 176.094 0.338 0.000 1.041 1102 V CA -0.901 61.613 62.300 0.357 0.000 0.907 1102 V CB 1.976 33.946 31.823 0.244 0.000 0.994 1102 V HN 0.386 nan 8.190 nan 0.000 0.442 1103 S N 2.528 118.517 115.700 0.482 0.000 2.562 1103 S HA 0.721 5.232 4.470 0.067 0.000 0.275 1103 S C -0.514 174.288 174.600 0.336 0.000 1.281 1103 S CA -0.387 58.133 58.200 0.532 0.000 1.045 1103 S CB 1.092 64.801 63.200 0.848 0.000 0.962 1103 S HN 0.903 nan 8.310 nan 0.000 0.503 1104 V N 4.376 124.425 119.914 0.225 0.000 2.531 1104 V HA 0.451 4.612 4.120 0.067 0.000 0.301 1104 V C 0.285 176.397 176.094 0.030 0.000 1.034 1104 V CA -0.462 61.848 62.300 0.016 0.000 0.865 1104 V CB 1.843 33.606 31.823 -0.100 0.000 0.995 1104 V HN 0.966 nan 8.190 nan 0.000 0.424 1105 S N 2.171 117.846 115.700 -0.042 0.000 2.593 1105 S HA 0.450 4.960 4.470 0.067 0.000 0.235 1105 S C 0.520 175.096 174.600 -0.040 0.000 1.059 1105 S CA 0.472 58.670 58.200 -0.003 0.000 0.953 1105 S CB 1.119 64.353 63.200 0.056 0.000 0.897 1105 S HN 0.980 nan 8.310 nan 0.000 0.507 1106 G N 0.131 108.814 108.800 -0.195 0.000 2.694 1106 G HA2 0.480 4.481 3.960 0.067 0.000 0.290 1106 G HA3 0.480 4.481 3.960 0.067 0.000 0.290 1106 G C 0.394 175.123 174.900 -0.285 0.000 1.386 1106 G CA -0.505 44.497 45.100 -0.164 0.000 0.872 1106 G HN -0.072 nan 8.290 nan 0.000 0.475 1107 M N 0.443 119.970 119.600 -0.122 0.000 2.159 1107 M HA -0.025 4.495 4.480 0.067 0.000 0.263 1107 M C 2.345 178.581 176.300 -0.107 0.000 1.063 1107 M CA 1.334 56.570 55.300 -0.107 0.000 1.110 1107 M CB -0.917 31.672 32.600 -0.017 0.000 1.374 1107 M HN 0.893 nan 8.290 nan 0.000 0.411 1108 W N 1.030 122.322 121.300 -0.014 0.000 2.342 1108 W HA -0.118 4.582 4.660 0.066 0.000 0.297 1108 W C 1.803 178.289 176.519 -0.053 0.000 1.213 1108 W CA 1.202 58.541 57.345 -0.010 0.000 1.251 1108 W CB -1.156 28.330 29.460 0.043 0.000 1.136 1108 W HN 0.192 nan 8.180 nan 0.000 0.526 1109 A N 1.908 124.035 122.820 -1.155 0.000 1.872 1109 A HA -0.099 4.261 4.320 0.067 0.000 0.214 1109 A C 2.311 179.383 177.584 -0.853 0.000 1.187 1109 A CA 1.485 52.739 52.037 -1.305 0.000 0.614 1109 A CB -1.154 17.045 19.000 -1.335 0.000 0.826 1109 A HN 0.375 nan 8.150 nan 0.000 0.442 1110 L N -0.351 120.525 121.223 -0.578 0.000 2.012 1110 L HA -0.230 4.150 4.340 0.067 0.000 0.210 1110 L C 1.972 178.610 176.870 -0.388 0.000 1.073 1110 L CA 2.078 56.659 54.840 -0.431 0.000 0.748 1110 L CB -0.526 41.364 42.059 -0.281 0.000 0.891 1110 L HN 0.371 nan 8.230 nan 0.000 0.431 1111 D N -0.278 119.953 120.400 -0.281 0.000 2.144 1111 D HA -0.201 4.480 4.640 0.067 0.000 0.199 1111 D C 2.101 178.247 176.300 -0.258 0.000 0.984 1111 D CA 1.162 55.044 54.000 -0.197 0.000 0.834 1111 D CB -0.037 40.715 40.800 -0.081 0.000 0.955 1111 D HN 0.449 nan 8.370 nan 0.000 0.465 1112 E N 0.173 120.153 120.200 -0.367 0.000 2.106 1112 E HA -0.094 4.297 4.350 0.067 0.000 0.192 1112 E C 2.143 178.258 176.600 -0.807 0.000 0.984 1112 E CA 0.334 56.441 56.400 -0.488 0.000 0.806 1112 E CB 0.061 29.487 29.700 -0.457 0.000 0.750 1112 E HN 0.067 nan 8.360 nan 0.000 0.458 1113 V N 1.156 120.433 119.914 -1.061 0.000 2.548 1113 V HA -0.201 3.959 4.120 0.067 0.000 0.249 1113 V C 2.095 177.962 176.094 -0.378 0.000 1.055 1113 V CA 1.498 63.308 62.300 -0.817 0.000 1.065 1113 V CB -0.198 31.134 31.823 -0.819 0.000 0.681 1113 V HN 0.149 nan 8.190 nan 0.000 0.462 1114 R N 0.017 120.326 120.500 -0.318 0.000 2.075 1114 R HA -0.048 4.332 4.340 0.067 0.000 0.232 1114 R C 2.403 178.623 176.300 -0.132 0.000 1.126 1114 R CA 1.491 57.480 56.100 -0.186 0.000 0.963 1114 R CB -0.585 29.618 30.300 -0.161 0.000 0.858 1114 R HN 0.577 nan 8.270 nan 0.000 0.435 1115 A N 1.195 123.933 122.820 -0.137 0.000 1.873 1115 A HA -0.073 4.287 4.320 0.067 0.000 0.215 1115 A C 2.369 179.925 177.584 -0.046 0.000 1.186 1115 A CA 1.561 53.553 52.037 -0.074 0.000 0.616 1115 A CB -0.727 18.238 19.000 -0.057 0.000 0.823 1115 A HN 0.382 nan 8.150 nan 0.000 0.442 1116 A N -0.112 122.673 122.820 -0.057 0.000 1.940 1116 A HA 0.119 4.479 4.320 0.067 0.000 0.219 1116 A C 2.457 180.048 177.584 0.011 0.000 1.176 1116 A CA 2.133 54.181 52.037 0.017 0.000 0.631 1116 A CB -0.924 18.124 19.000 0.081 0.000 0.814 1116 A HN 1.054 nan 8.150 nan 0.000 0.446 1117 A N -0.525 122.276 122.820 -0.030 0.000 1.898 1117 A HA -0.132 4.228 4.320 0.067 0.000 0.216 1117 A C 2.245 179.822 177.584 -0.011 0.000 1.181 1117 A CA 1.365 53.390 52.037 -0.020 0.000 0.620 1117 A CB -0.410 18.563 19.000 -0.046 0.000 0.819 1117 A HN 0.408 nan 8.150 nan 0.000 0.442 1118 R N -0.293 120.195 120.500 -0.019 0.000 2.070 1118 R HA -0.099 4.281 4.340 0.067 0.000 0.233 1118 R C 2.515 178.816 176.300 0.002 0.000 1.137 1118 R CA 1.538 57.631 56.100 -0.012 0.000 0.945 1118 R CB -1.315 28.974 30.300 -0.017 0.000 0.845 1118 R HN 0.512 nan 8.270 nan 0.000 0.430 1119 A N 1.247 124.072 122.820 0.009 0.000 1.892 1119 A HA -0.140 4.221 4.320 0.067 0.000 0.218 1119 A C 2.333 179.931 177.584 0.024 0.000 1.188 1119 A CA 2.178 54.228 52.037 0.021 0.000 0.631 1119 A CB -0.641 18.379 19.000 0.033 0.000 0.822 1119 A HN 0.399 nan 8.150 nan 0.000 0.447 1120 A N -1.701 121.135 122.820 0.027 0.000 2.119 1120 A HA 0.363 4.724 4.320 0.067 0.000 0.217 1120 A C 1.928 179.523 177.584 0.019 0.000 1.153 1120 A CA 1.352 53.407 52.037 0.030 0.000 0.692 1120 A CB -1.143 17.880 19.000 0.039 0.000 0.799 1120 A HN 2.030 nan 8.150 nan 0.000 0.458 1121 G N -0.716 108.091 108.800 0.012 0.000 2.273 1121 G HA2 -0.259 3.742 3.960 0.067 0.000 0.280 1121 G HA3 -0.259 3.742 3.960 0.067 0.000 0.280 1121 G C 0.107 175.011 174.900 0.006 0.000 1.047 1121 G CA 0.707 45.811 45.100 0.007 0.000 0.869 1121 G HN 0.735 nan 8.290 nan 0.000 0.502 1122 R N -1.459 119.045 120.500 0.007 0.000 2.764 1122 R HA 0.582 4.962 4.340 0.067 0.000 0.270 1122 R C -0.706 175.596 176.300 0.003 0.000 1.014 1122 R CA -0.794 55.311 56.100 0.007 0.000 0.904 1122 R CB 1.141 31.450 30.300 0.015 0.000 1.236 1122 R HN 0.127 nan 8.270 nan 0.000 0.466 1123 T N 1.128 115.684 114.554 0.003 0.000 2.806 1123 T HA 0.451 4.841 4.350 0.067 0.000 0.290 1123 T C -0.208 174.497 174.700 0.008 0.000 0.966 1123 T CA -0.498 61.602 62.100 -0.001 0.000 1.060 1123 T CB 1.426 70.293 68.868 -0.001 0.000 0.927 1123 T HN 0.603 nan 8.240 nan 0.000 0.485 1124 A N 3.938 126.757 122.820 -0.001 0.000 2.309 1124 A HA 0.521 4.881 4.320 0.067 0.000 0.298 1124 A C 0.309 177.908 177.584 0.025 0.000 1.165 1124 A CA -0.842 51.204 52.037 0.014 0.000 0.821 1124 A CB 0.411 19.403 19.000 -0.014 0.000 1.102 1124 A HN 0.815 nan 8.150 nan 0.000 0.500 1125 R N 2.438 122.972 120.500 0.058 0.000 2.205 1125 R HA 0.411 4.791 4.340 0.067 0.000 0.342 1125 R C -0.564 175.800 176.300 0.107 0.000 1.058 1125 R CA -0.048 56.102 56.100 0.082 0.000 0.904 1125 R CB 0.123 30.485 30.300 0.103 0.000 1.089 1125 R HN 0.757 nan 8.270 nan 0.000 0.471 1126 I N -1.117 119.505 120.570 0.087 0.000 2.562 1126 I HA 0.391 4.601 4.170 0.067 0.000 0.301 1126 I C -0.578 175.628 176.117 0.149 0.000 1.003 1126 I CA -1.083 60.277 61.300 0.101 0.000 1.127 1126 I CB 2.003 40.015 38.000 0.020 0.000 1.304 1126 I HN 0.345 nan 8.210 nan 0.000 0.446 1127 Q N 4.307 124.239 119.800 0.220 0.000 2.330 1127 Q HA 0.492 4.872 4.340 0.067 0.000 0.269 1127 Q C -1.179 175.051 176.000 0.384 0.000 1.022 1127 Q CA -0.999 54.986 55.803 0.303 0.000 0.796 1127 Q CB 2.798 31.716 28.738 0.300 0.000 1.271 1127 Q HN 0.515 nan 8.270 nan 0.000 0.450 1131 D N 2.986 123.182 120.400 -0.340 0.000 2.468 1131 D HA 0.309 4.989 4.640 0.067 0.000 0.218 1131 D C 1.395 177.546 176.300 -0.248 0.000 1.155 1131 D CA 0.675 54.520 54.000 -0.259 0.000 0.924 1131 D CB 0.615 41.319 40.800 -0.160 0.000 1.029 1131 D HN 0.604 nan 8.370 nan 0.000 0.515 1132 T N 0.176 114.574 114.554 -0.260 0.000 3.219 1132 T HA 0.354 4.744 4.350 0.067 0.000 0.249 1132 T C 1.252 175.879 174.700 -0.123 0.000 1.099 1132 T CA 0.310 62.292 62.100 -0.196 0.000 0.988 1132 T CB 0.294 69.049 68.868 -0.187 0.000 0.999 1132 T HN 0.415 nan 8.240 nan 0.000 0.550 1133 G N 0.521 109.251 108.800 -0.116 0.000 3.259 1133 G HA2 -0.137 3.864 3.960 0.067 0.000 0.217 1133 G HA3 -0.137 3.864 3.960 0.067 0.000 0.217 1133 G C 0.489 175.348 174.900 -0.069 0.000 0.993 1133 G CA 0.052 45.110 45.100 -0.071 0.000 0.836 1133 G HN 0.362 nan 8.290 nan 0.000 0.514 1134 L N 2.024 123.191 121.223 -0.094 0.000 2.141 1134 L HA 0.422 4.802 4.340 0.067 0.000 0.209 1134 L C 2.090 178.924 176.870 -0.061 0.000 1.094 1134 L CA 2.558 57.349 54.840 -0.083 0.000 0.763 1134 L CB -0.509 41.490 42.059 -0.099 0.000 0.908 1134 L HN 1.485 nan 8.230 nan 0.000 0.437 1135 G N -0.629 108.132 108.800 -0.065 0.000 2.198 1135 G HA2 -0.386 3.614 3.960 0.067 0.000 0.260 1135 G HA3 -0.386 3.614 3.960 0.067 0.000 0.260 1135 G C 0.901 175.786 174.900 -0.026 0.000 1.025 1135 G CA 0.867 45.942 45.100 -0.043 0.000 0.769 1135 G HN 0.515 nan 8.290 nan 0.000 0.507 1136 R N -0.543 119.938 120.500 -0.032 0.000 1.728 1136 R HA 0.344 4.724 4.340 0.067 0.000 0.126 1136 R C 1.369 177.671 176.300 0.004 0.000 2.075 1136 R CA 0.200 56.297 56.100 -0.005 0.000 1.805 1136 R CB -0.023 30.280 30.300 0.004 0.000 1.352 1136 R HN 0.372 nan 8.270 nan 0.000 0.493 1137 N N -1.414 117.281 118.700 -0.008 0.000 2.431 1137 N HA 0.316 5.096 4.740 0.067 0.000 0.289 1137 N C -0.985 174.481 175.510 -0.073 0.000 1.277 1137 N CA 0.296 53.352 53.050 0.010 0.000 0.972 1137 N CB 0.949 39.462 38.487 0.043 0.000 1.143 1137 N HN 0.597 nan 8.380 nan 0.000 0.578 1138 G N -0.545 108.213 108.800 -0.070 0.000 2.712 1138 G HA2 -0.209 3.791 3.960 0.067 0.000 0.686 1138 G HA3 -0.209 3.791 3.960 0.067 0.000 0.686 1138 G C -0.690 174.184 174.900 -0.043 0.000 1.321 1138 G CA -0.729 44.292 45.100 -0.132 0.000 0.813 1138 G HN 0.753 nan 8.290 nan 0.000 0.599 1139 C N 2.305 121.605 119.300 -0.000 0.000 2.435 1139 C HA 0.630 5.130 4.460 0.067 0.000 0.375 1139 C C 0.849 175.848 174.990 0.014 0.000 1.281 1139 C CA -0.624 58.449 59.018 0.092 0.000 1.963 1139 C CB 0.349 28.277 27.740 0.314 0.000 2.490 1139 C HN 0.729 nan 8.230 nan 0.000 0.557 1140 Q N 4.987 124.800 119.800 0.021 0.000 2.354 1140 Q HA 0.172 4.552 4.340 0.067 0.000 0.244 1140 Q C -1.392 174.600 176.000 -0.014 0.000 0.969 1140 Q CA -1.059 54.727 55.803 -0.028 0.000 0.885 1140 Q CB 0.953 29.686 28.738 -0.009 0.000 1.241 1140 Q HN 0.553 nan 8.270 nan 0.000 0.461 1141 P HA -0.203 nan 4.420 nan 0.000 0.217 1141 P C 0.700 177.996 177.300 -0.006 0.000 1.151 1141 P CA 2.004 65.049 63.100 -0.092 0.000 0.849 1141 P CB 0.179 31.805 31.700 -0.122 0.000 0.787 1142 A N -0.417 122.401 122.820 -0.005 0.000 2.015 1142 A HA -0.166 4.194 4.320 0.067 0.000 0.219 1142 A C 1.750 179.350 177.584 0.026 0.000 1.163 1142 A CA 1.719 53.758 52.037 0.003 0.000 0.646 1142 A CB -0.907 18.093 19.000 -0.000 0.000 0.806 1142 A HN 0.167 nan 8.150 nan 0.000 0.448 1143 D N -2.134 118.303 120.400 0.061 0.000 2.379 1143 D HA -0.047 4.633 4.640 0.067 0.000 0.208 1143 D C 1.438 177.805 176.300 0.111 0.000 1.065 1143 D CA -0.277 53.763 54.000 0.068 0.000 0.848 1143 D CB -0.266 40.574 40.800 0.066 0.000 0.949 1143 D HN 0.752 nan 8.370 nan 0.000 0.509 1144 W N 2.418 123.657 121.300 -0.102 0.000 2.335 1144 W HA -0.257 4.443 4.660 0.067 0.000 0.311 1144 W C 2.122 178.581 176.519 -0.100 0.000 1.213 1144 W CA 1.808 59.085 57.345 -0.113 0.000 1.274 1144 W CB 0.154 29.516 29.460 -0.164 0.000 1.148 1144 W HN -0.023 nan 8.180 nan 0.000 0.498 1145 A N 0.257 123.015 122.820 -0.102 0.000 1.908 1145 A HA -0.294 4.066 4.320 0.067 0.000 0.218 1145 A C 1.939 179.488 177.584 -0.058 0.000 1.181 1145 A CA 2.034 54.001 52.037 -0.118 0.000 0.627 1145 A CB -1.171 17.772 19.000 -0.095 0.000 0.818 1145 A HN 0.505 nan 8.150 nan 0.000 0.445 1146 E N -0.576 119.592 120.200 -0.055 0.000 2.017 1146 E HA -0.211 4.179 4.350 0.067 0.000 0.193 1146 E C 2.004 178.543 176.600 -0.101 0.000 0.997 1146 E CA 1.483 57.851 56.400 -0.053 0.000 0.804 1146 E CB -0.267 29.416 29.700 -0.028 0.000 0.757 1146 E HN 0.436 nan 8.360 nan 0.000 0.448 1147 L N 0.811 121.957 121.223 -0.128 0.000 2.043 1147 L HA -0.185 4.195 4.340 0.067 0.000 0.212 1147 L C 2.362 179.071 176.870 -0.268 0.000 1.075 1147 L CA 1.362 56.095 54.840 -0.177 0.000 0.752 1147 L CB -0.459 41.503 42.059 -0.161 0.000 0.891 1147 L HN 0.045 nan 8.230 nan 0.000 0.432 1148 V N -0.051 119.625 119.914 -0.397 0.000 2.343 1148 V HA -0.240 3.920 4.120 0.067 0.000 0.247 1148 V C 2.559 178.526 176.094 -0.211 0.000 1.051 1148 V CA 1.918 63.973 62.300 -0.409 0.000 1.036 1148 V CB -1.318 30.222 31.823 -0.472 0.000 0.654 1148 V HN 0.670 nan 8.190 nan 0.000 0.451 1149 G N -0.736 107.981 108.800 -0.139 0.000 2.418 1149 G HA2 -0.209 3.791 3.960 0.067 0.000 0.217 1149 G HA3 -0.209 3.791 3.960 0.067 0.000 0.217 1149 G C 1.750 176.592 174.900 -0.096 0.000 1.158 1149 G CA 0.976 46.021 45.100 -0.093 0.000 0.771 1149 G HN 0.619 nan 8.290 nan 0.000 0.545 1150 A N 0.999 123.756 122.820 -0.105 0.000 1.969 1150 A HA 0.326 4.687 4.320 0.067 0.000 0.218 1150 A C 2.764 180.282 177.584 -0.110 0.000 1.169 1150 A CA 2.086 54.064 52.037 -0.098 0.000 0.635 1150 A CB -0.603 18.337 19.000 -0.100 0.000 0.810 1150 A HN 0.711 nan 8.150 nan 0.000 0.445 1151 A N -0.024 122.716 122.820 -0.133 0.000 1.898 1151 A HA 0.022 4.382 4.320 0.067 0.000 0.216 1151 A C 2.285 179.809 177.584 -0.101 0.000 1.181 1151 A CA 1.931 53.892 52.037 -0.127 0.000 0.620 1151 A CB -1.157 17.753 19.000 -0.151 0.000 0.819 1151 A HN 1.158 nan 8.150 nan 0.000 0.442 1152 V N -2.686 117.167 119.914 -0.102 0.000 2.809 1152 V HA 0.068 4.228 4.120 0.067 0.000 0.256 1152 V C 2.329 178.382 176.094 -0.068 0.000 1.080 1152 V CA 1.665 63.916 62.300 -0.081 0.000 1.102 1152 V CB -1.122 30.650 31.823 -0.086 0.000 0.705 1152 V HN 0.479 nan 8.190 nan 0.000 0.475 1153 A N 0.890 123.667 122.820 -0.071 0.000 1.872 1153 A HA 0.233 4.594 4.320 0.067 0.000 0.214 1153 A C 2.484 180.032 177.584 -0.059 0.000 1.187 1153 A CA 1.871 53.872 52.037 -0.060 0.000 0.614 1153 A CB -1.066 17.898 19.000 -0.060 0.000 0.826 1153 A HN 0.937 nan 8.150 nan 0.000 0.442 1154 A N -1.005 121.773 122.820 -0.070 0.000 2.015 1154 A HA -0.176 4.184 4.320 0.067 0.000 0.219 1154 A C 2.127 179.675 177.584 -0.060 0.000 1.163 1154 A CA 1.654 53.648 52.037 -0.071 0.000 0.646 1154 A CB -0.489 18.455 19.000 -0.093 0.000 0.806 1154 A HN 0.645 nan 8.150 nan 0.000 0.448 1155 Q N -0.762 119.004 119.800 -0.056 0.000 2.119 1155 Q HA -0.093 4.287 4.340 0.067 0.000 0.201 1155 Q C 2.249 178.227 176.000 -0.036 0.000 0.972 1155 Q CA 1.235 57.013 55.803 -0.043 0.000 0.847 1155 Q CB -0.272 28.442 28.738 -0.041 0.000 0.903 1155 Q HN 0.661 nan 8.270 nan 0.000 0.433 1156 A N 1.472 124.269 122.820 -0.038 0.000 1.930 1156 A HA -0.209 4.152 4.320 0.067 0.000 0.217 1156 A C 1.692 179.258 177.584 -0.030 0.000 1.175 1156 A CA 1.572 53.590 52.037 -0.032 0.000 0.627 1156 A CB -0.583 18.396 19.000 -0.034 0.000 0.815 1156 A HN 0.635 nan 8.150 nan 0.000 0.443 1157 E N -0.503 119.676 120.200 -0.035 0.000 2.516 1157 E HA 0.249 4.639 4.350 0.067 0.000 0.199 1157 E C 1.010 177.593 176.600 -0.029 0.000 1.069 1157 E CA 0.519 56.900 56.400 -0.032 0.000 0.876 1157 E CB -0.740 28.938 29.700 -0.038 0.000 0.843 1157 E HN 0.746 nan 8.360 nan 0.000 0.530 1158 G N 0.532 109.315 108.800 -0.028 0.000 2.203 1158 G HA2 -0.347 3.653 3.960 0.067 0.000 0.263 1158 G HA3 -0.347 3.653 3.960 0.067 0.000 0.263 1158 G C 0.773 175.658 174.900 -0.026 0.000 1.012 1158 G CA 0.846 45.932 45.100 -0.023 0.000 0.749 1158 G HN 0.411 nan 8.290 nan 0.000 0.512 1159 T N -1.402 113.130 114.554 -0.037 0.000 3.031 1159 T HA 0.411 4.801 4.350 0.067 0.000 0.254 1159 T C 1.231 175.901 174.700 -0.049 0.000 1.060 1159 T CA 1.832 63.905 62.100 -0.045 0.000 1.135 1159 T CB 0.020 68.852 68.868 -0.059 0.000 0.896 1159 T HN 1.385 nan 8.240 nan 0.000 0.472 1160 V N -0.626 119.258 119.914 -0.049 0.000 3.160 1160 V HA 0.725 4.885 4.120 0.067 0.000 0.310 1160 V C -1.627 174.452 176.094 -0.025 0.000 1.181 1160 V CA -1.059 61.214 62.300 -0.045 0.000 1.047 1160 V CB 2.191 33.971 31.823 -0.072 0.000 1.068 1160 V HN 0.095 nan 8.190 nan 0.000 0.441 1161 Q N 1.163 120.958 119.800 -0.007 0.000 2.295 1161 Q HA 0.519 4.899 4.340 0.067 0.000 0.259 1161 Q C -1.683 174.334 176.000 0.028 0.000 0.966 1161 Q CA -0.606 55.203 55.803 0.009 0.000 0.763 1161 Q CB 2.224 30.974 28.738 0.021 0.000 1.283 1161 Q HN 0.887 nan 8.270 nan 0.000 0.445 1162 V N 4.090 124.017 119.914 0.022 0.000 2.390 1162 V HA 0.025 4.185 4.120 0.067 0.000 0.260 1162 V C 1.411 177.553 176.094 0.079 0.000 1.043 1162 V CA 0.948 63.275 62.300 0.045 0.000 1.047 1162 V CB 0.034 31.869 31.823 0.020 0.000 1.066 1162 V HN 0.928 nan 8.190 nan 0.000 0.481 1163 T N 0.888 115.511 114.554 0.116 0.000 3.057 1163 T HA 0.360 4.750 4.350 0.067 0.000 0.254 1163 T C 0.786 175.586 174.700 0.167 0.000 1.094 1163 T CA 0.509 62.698 62.100 0.148 0.000 1.088 1163 T CB 0.449 69.432 68.868 0.192 0.000 0.934 1163 T HN 0.869 nan 8.240 nan 0.000 0.497 1164 G N -0.093 108.816 108.800 0.181 0.000 2.677 1164 G HA2 0.555 4.555 3.960 0.067 0.000 0.291 1164 G HA3 0.555 4.555 3.960 0.067 0.000 0.291 1164 G C -2.097 172.968 174.900 0.275 0.000 1.435 1164 G CA -0.659 44.572 45.100 0.219 0.000 0.826 1164 G HN 0.213 nan 8.290 nan 0.000 0.491 1165 V N 1.877 121.966 119.914 0.292 0.000 2.569 1165 V HA 0.807 4.968 4.120 0.067 0.000 0.301 1165 V C -0.773 175.532 176.094 0.352 0.000 1.044 1165 V CA -0.571 61.931 62.300 0.337 0.000 0.874 1165 V CB 1.344 33.318 31.823 0.252 0.000 1.002 1165 V HN 0.944 nan 8.190 nan 0.000 0.424 1166 W N 3.178 124.437 121.300 -0.067 0.000 3.042 1166 W HA 0.886 5.586 4.660 0.067 0.000 0.342 1166 W C -1.042 175.196 176.519 -0.468 0.000 1.240 1166 W CA -1.117 55.953 57.345 -0.459 0.000 1.166 1166 W CB 1.519 30.328 29.460 -1.085 0.000 1.469 1166 W HN 0.534 nan 8.180 nan 0.000 0.579 1167 S N -0.506 114.713 115.700 -0.802 0.000 2.776 1167 S HA 0.619 5.129 4.470 0.067 0.000 0.292 1167 S C -2.232 171.994 174.600 -0.623 0.000 1.187 1167 S CA -0.333 57.342 58.200 -0.875 0.000 0.834 1167 S CB 1.724 64.377 63.200 -0.912 0.000 1.199 1167 S HN 0.690 nan 8.310 nan 0.000 0.514 1168 H N -0.034 118.631 119.070 -0.676 0.000 2.865 1168 H HA 0.598 5.194 4.556 0.065 0.000 0.362 1168 H C -1.609 173.479 175.328 -0.400 0.000 1.114 1168 H CA -0.576 55.184 56.048 -0.480 0.000 1.208 1168 H CB 0.483 30.046 29.762 -0.333 0.000 1.727 1168 H HN 0.363 nan 8.280 nan 0.000 0.534 1169 F N 2.237 121.850 119.950 -0.561 0.000 2.410 1169 F HA 0.408 4.975 4.527 0.065 0.000 0.334 1169 F C 1.403 176.926 175.800 -0.462 0.000 1.134 1169 F CA 0.499 58.245 58.000 -0.423 0.000 1.227 1169 F CB 1.106 39.936 39.000 -0.284 0.000 1.194 1169 F HN 0.752 nan 8.300 nan 0.000 0.571 1170 A N 0.595 123.388 122.820 -0.045 0.000 1.993 1170 A HA 0.123 4.483 4.320 0.067 0.000 0.207 1170 A C 1.002 178.479 177.584 -0.178 0.000 1.224 1170 A CA 0.491 52.447 52.037 -0.135 0.000 0.749 1170 A CB -0.397 18.530 19.000 -0.120 0.000 0.884 1170 A HN 0.726 nan 8.150 nan 0.000 0.467 1171 C N -0.575 118.592 119.300 -0.222 0.000 2.994 1171 C HA 0.592 5.092 4.460 0.067 0.000 0.250 1171 C C 2.049 176.904 174.990 -0.225 0.000 1.814 1171 C CA -0.597 58.245 59.018 -0.293 0.000 1.730 1171 C CB -0.644 26.697 27.740 -0.666 0.000 3.258 1171 C HN 0.650 nan 8.230 nan 0.000 0.472 1172 A N 1.867 124.557 122.820 -0.216 0.000 2.070 1172 A HA -0.195 4.165 4.320 0.067 0.000 0.220 1172 A C 1.920 179.437 177.584 -0.111 0.000 1.159 1172 A CA 2.226 54.105 52.037 -0.264 0.000 0.656 1172 A CB -0.271 18.599 19.000 -0.218 0.000 0.800 1172 A HN 0.725 nan 8.150 nan 0.000 0.453 1173 D N -0.354 120.017 120.400 -0.049 0.000 2.349 1173 D HA -0.012 4.669 4.640 0.067 0.000 0.224 1173 D C 0.165 176.471 176.300 0.009 0.000 1.029 1173 D CA 0.277 54.285 54.000 0.014 0.000 0.879 1173 D CB -0.268 40.572 40.800 0.067 0.000 0.906 1173 D HN 0.469 nan 8.370 nan 0.000 0.528 1174 E N 1.508 121.700 120.200 -0.014 0.000 2.167 1174 E HA 0.262 4.652 4.350 0.067 0.000 0.247 1174 E C -2.464 174.149 176.600 0.021 0.000 0.961 1174 E CA -2.340 54.076 56.400 0.026 0.000 0.797 1174 E CB 1.241 30.985 29.700 0.074 0.000 1.182 1174 E HN 0.030 nan 8.360 nan 0.000 0.437 1175 P HA -0.047 nan 4.420 nan 0.000 0.255 1175 P C 0.654 177.952 177.300 -0.004 0.000 1.173 1175 P CA 0.956 64.052 63.100 -0.007 0.000 0.780 1175 P CB 0.494 32.193 31.700 -0.002 0.000 0.758 1176 G N 1.983 110.774 108.800 -0.015 0.000 2.201 1176 G HA2 -0.222 3.778 3.960 0.067 0.000 0.212 1176 G HA3 -0.222 3.778 3.960 0.067 0.000 0.212 1176 G C 0.270 175.164 174.900 -0.011 0.000 0.994 1176 G CA -0.474 44.614 45.100 -0.019 0.000 0.644 1176 G HN 0.682 nan 8.290 nan 0.000 0.508 1177 H N 3.010 122.037 119.070 -0.070 0.000 3.070 1177 H HA 0.141 4.738 4.556 0.067 0.000 0.313 1177 H C -0.613 174.676 175.328 -0.066 0.000 0.997 1177 H CA -0.032 55.978 56.048 -0.064 0.000 1.438 1177 H CB 1.516 31.235 29.762 -0.071 0.000 1.455 1177 H HN 0.161 nan 8.280 nan 0.000 0.575 1178 P HA -0.188 nan 4.420 nan 0.000 0.218 1178 P C 1.414 178.775 177.300 0.100 0.000 1.146 1178 P CA 1.614 64.703 63.100 -0.019 0.000 0.813 1178 P CB 0.144 31.784 31.700 -0.100 0.000 0.778 1179 S N -0.528 115.354 115.700 0.302 0.000 2.402 1179 S HA -0.115 4.395 4.470 0.067 0.000 0.229 1179 S C 2.063 176.716 174.600 0.089 0.000 1.021 1179 S CA 0.680 58.985 58.200 0.176 0.000 0.974 1179 S CB -1.554 61.726 63.200 0.134 0.000 0.800 1179 S HN 0.081 nan 8.310 nan 0.000 0.484 1180 I N 3.544 124.131 120.570 0.029 0.000 2.091 1180 I HA -0.294 3.916 4.170 0.067 0.000 0.239 1180 I C 3.077 179.198 176.117 0.008 0.000 1.061 1180 I CA 2.003 63.224 61.300 -0.131 0.000 1.317 1180 I CB -0.596 37.234 38.000 -0.283 0.000 1.031 1180 I HN 0.426 nan 8.210 nan 0.000 0.401 1181 R N 1.747 122.256 120.500 0.016 0.000 2.096 1181 R HA -0.154 4.226 4.340 0.067 0.000 0.235 1181 R C 2.132 178.485 176.300 0.088 0.000 1.127 1181 R CA 1.476 57.608 56.100 0.054 0.000 0.968 1181 R CB -1.083 29.232 30.300 0.025 0.000 0.861 1181 R HN 0.381 nan 8.270 nan 0.000 0.440 1182 L N 1.091 122.360 121.223 0.076 0.000 2.046 1182 L HA -0.169 4.212 4.340 0.067 0.000 0.208 1182 L C 2.827 179.751 176.870 0.090 0.000 1.077 1182 L CA 1.653 56.534 54.840 0.068 0.000 0.747 1182 L CB -0.392 41.699 42.059 0.053 0.000 0.896 1182 L HN 0.300 nan 8.230 nan 0.000 0.432 1183 Q N -0.888 118.998 119.800 0.143 0.000 2.172 1183 Q HA -0.182 4.199 4.340 0.067 0.000 0.200 1183 Q C 2.156 178.277 176.000 0.202 0.000 0.964 1183 Q CA 0.820 56.713 55.803 0.150 0.000 0.855 1183 Q CB -0.064 28.810 28.738 0.228 0.000 0.918 1183 Q HN 0.313 nan 8.270 nan 0.000 0.444 1184 L N 1.403 122.812 121.223 0.309 0.000 2.093 1184 L HA -0.158 4.222 4.340 0.067 0.000 0.208 1184 L C 1.357 178.385 176.870 0.263 0.000 1.085 1184 L CA 1.895 56.947 54.840 0.352 0.000 0.755 1184 L CB -0.473 41.791 42.059 0.342 0.000 0.904 1184 L HN 0.086 nan 8.230 nan 0.000 0.435 1185 D N -0.417 120.081 120.400 0.163 0.000 2.149 1185 D HA -0.033 4.648 4.640 0.067 0.000 0.201 1185 D C 2.179 178.517 176.300 0.063 0.000 0.972 1185 D CA 1.339 55.400 54.000 0.102 0.000 0.835 1185 D CB -0.010 40.830 40.800 0.066 0.000 0.966 1185 D HN 0.423 nan 8.370 nan 0.000 0.476 1186 A N 0.358 123.209 122.820 0.051 0.000 1.969 1186 A HA -0.157 4.204 4.320 0.067 0.000 0.218 1186 A C 1.987 179.553 177.584 -0.030 0.000 1.169 1186 A CA 0.783 52.810 52.037 -0.016 0.000 0.635 1186 A CB -0.757 18.217 19.000 -0.042 0.000 0.810 1186 A HN 0.221 nan 8.150 nan 0.000 0.445 1187 F N 0.475 120.341 119.950 -0.139 0.000 2.163 1187 F HA -0.013 4.555 4.527 0.068 0.000 0.297 1187 F C 2.265 177.992 175.800 -0.122 0.000 1.094 1187 F CA 1.355 59.234 58.000 -0.202 0.000 1.290 1187 F CB -0.387 38.483 39.000 -0.218 0.000 1.017 1187 F HN 0.106 nan 8.300 nan 0.000 0.483 1188 R N 0.203 120.627 120.500 -0.126 0.000 2.081 1188 R HA -0.160 4.220 4.340 0.067 0.000 0.235 1188 R C 1.899 178.119 176.300 -0.133 0.000 1.131 1188 R CA 1.752 57.766 56.100 -0.144 0.000 0.960 1188 R CB -0.480 29.852 30.300 0.054 0.000 0.856 1188 R HN 0.265 nan 8.270 nan 0.000 0.436 1189 D N 0.030 120.384 120.400 -0.077 0.000 2.144 1189 D HA -0.125 4.555 4.640 0.067 0.000 0.200 1189 D C 1.826 178.110 176.300 -0.026 0.000 0.978 1189 D CA 1.313 55.292 54.000 -0.035 0.000 0.833 1189 D CB -0.010 40.775 40.800 -0.025 0.000 0.961 1189 D HN 0.240 nan 8.370 nan 0.000 0.470 1190 M N -0.207 119.306 119.600 -0.146 0.000 2.349 1190 M HA -0.035 4.485 4.480 0.067 0.000 0.266 1190 M C 1.972 178.357 176.300 0.141 0.000 1.076 1190 M CA 0.417 55.622 55.300 -0.159 0.000 1.126 1190 M CB 0.087 32.226 32.600 -0.768 0.000 1.392 1190 M HN 0.007 nan 8.290 nan 0.000 0.440 1191 L N 0.917 122.068 121.223 -0.119 0.000 2.027 1191 L HA 0.023 4.403 4.340 0.067 0.000 0.206 1191 L C 2.518 179.408 176.870 0.033 0.000 1.074 1191 L CA 2.037 56.814 54.840 -0.105 0.000 0.745 1191 L CB -0.920 40.844 42.059 -0.491 0.000 0.898 1191 L HN 0.159 nan 8.230 nan 0.000 0.433 1192 A N -1.067 121.764 122.820 0.017 0.000 1.883 1192 A HA -0.308 4.052 4.320 0.067 0.000 0.217 1192 A C 2.352 179.993 177.584 0.094 0.000 1.186 1192 A CA 1.930 53.994 52.037 0.045 0.000 0.624 1192 A CB -1.385 17.639 19.000 0.039 0.000 0.822 1192 A HN 0.668 nan 8.150 nan 0.000 0.444 1193 Y N 0.618 120.968 120.300 0.082 0.000 2.207 1193 Y HA -0.116 4.474 4.550 0.067 0.000 0.287 1193 Y C 2.549 178.500 175.900 0.085 0.000 1.156 1193 Y CA 1.285 59.450 58.100 0.108 0.000 1.182 1193 Y CB -0.370 38.207 38.460 0.195 0.000 0.979 1193 Y HN 0.314 nan 8.280 nan 0.000 0.521 1194 A N 0.234 123.217 122.820 0.271 0.000 1.872 1194 A HA -0.125 4.235 4.320 0.067 0.000 0.214 1194 A C 2.063 179.623 177.584 -0.038 0.000 1.187 1194 A CA 1.530 53.618 52.037 0.085 0.000 0.614 1194 A CB -0.612 18.508 19.000 0.200 0.000 0.826 1194 A HN 0.575 nan 8.150 nan 0.000 0.442 1195 E N -0.405 119.796 120.200 0.000 0.000 2.265 1195 E HA -0.178 4.212 4.350 0.067 0.000 0.196 1195 E C 1.508 178.068 176.600 -0.066 0.000 0.996 1195 E CA 1.057 57.443 56.400 -0.023 0.000 0.832 1195 E CB -0.063 29.636 29.700 -0.002 0.000 0.756 1195 E HN 0.297 nan 8.360 nan 0.000 0.491 1196 K N 0.473 120.803 120.400 -0.117 0.000 2.361 1196 K HA -0.003 4.357 4.320 0.067 0.000 0.196 1196 K C 1.358 177.831 176.600 -0.211 0.000 1.039 1196 K CA 0.506 56.701 56.287 -0.152 0.000 1.001 1196 K CB 0.319 32.716 32.500 -0.171 0.000 0.795 1196 K HN -0.118 nan 8.250 nan 0.000 0.495 1197 E N -0.570 119.466 120.200 -0.274 0.000 2.465 1197 E HA 0.175 4.565 4.350 0.067 0.000 0.191 1197 E C 0.245 176.751 176.600 -0.156 0.000 1.053 1197 E CA 0.171 56.412 56.400 -0.266 0.000 0.869 1197 E CB 0.404 29.881 29.700 -0.371 0.000 0.977 1197 E HN 0.285 nan 8.360 nan 0.000 0.483 1198 G N -0.493 108.237 108.800 -0.116 0.000 2.141 1198 G HA2 -0.182 3.818 3.960 0.067 0.000 0.164 1198 G HA3 -0.182 3.818 3.960 0.067 0.000 0.164 1198 G C -0.241 174.623 174.900 -0.060 0.000 1.009 1198 G CA 0.037 45.090 45.100 -0.078 0.000 0.677 1198 G HN 0.090 nan 8.290 nan 0.000 0.508 1199 V N 0.769 120.650 119.914 -0.054 0.000 2.384 1199 V HA 0.580 4.740 4.120 0.067 0.000 0.287 1199 V C -0.501 175.593 176.094 -0.001 0.000 1.020 1199 V CA -0.461 61.822 62.300 -0.027 0.000 0.850 1199 V CB 1.825 33.632 31.823 -0.027 0.000 0.987 1199 V HN 0.299 nan 8.190 nan 0.000 0.436 1200 D N 6.767 127.174 120.400 0.012 0.000 2.477 1200 D HA 0.423 5.103 4.640 0.067 0.000 0.239 1200 D C -2.241 174.089 176.300 0.049 0.000 1.102 1200 D CA -1.470 52.547 54.000 0.027 0.000 0.901 1200 D CB 1.360 42.174 40.800 0.022 0.000 1.026 1200 D HN 0.325 nan 8.370 nan 0.000 0.515 1201 P HA 0.127 nan 4.420 nan 0.000 0.275 1201 P C 0.489 177.850 177.300 0.102 0.000 1.227 1201 P CA -0.175 62.981 63.100 0.093 0.000 0.781 1201 P CB 1.772 33.535 31.700 0.106 0.000 0.906 1202 E N 0.887 121.161 120.200 0.123 0.000 2.046 1202 E HA -0.024 4.366 4.350 0.067 0.000 0.190 1202 E C 0.442 177.121 176.600 0.132 0.000 0.982 1202 E CA 0.981 57.464 56.400 0.138 0.000 0.800 1202 E CB 0.261 30.074 29.700 0.188 0.000 0.756 1202 E HN 0.433 nan 8.360 nan 0.000 0.449 1203 V N -1.364 118.619 119.914 0.116 0.000 2.876 1203 V HA 0.611 4.772 4.120 0.067 0.000 0.312 1203 V C -0.952 175.251 176.094 0.182 0.000 1.085 1203 V CA -1.129 61.218 62.300 0.077 0.000 0.945 1203 V CB 2.005 33.731 31.823 -0.161 0.000 1.017 1203 V HN -0.036 nan 8.190 nan 0.000 0.428 1204 R N 2.027 122.654 120.500 0.212 0.000 2.439 1204 R HA 0.766 5.146 4.340 0.067 0.000 0.310 1204 R C -1.034 175.425 176.300 0.264 0.000 0.955 1204 R CA -0.494 55.736 56.100 0.217 0.000 0.853 1204 R CB 1.577 31.946 30.300 0.115 0.000 1.171 1204 R HN 1.165 nan 8.270 nan 0.000 0.449 1205 H N -0.056 119.021 119.070 0.011 0.000 2.996 1205 H HA 0.516 5.112 4.556 0.067 0.000 0.368 1205 H C -0.375 174.787 175.328 -0.277 0.000 1.185 1205 H CA -1.062 54.942 56.048 -0.074 0.000 1.160 1205 H CB 1.851 31.546 29.762 -0.113 0.000 1.820 1205 H HN 0.525 nan 8.280 nan 0.000 0.547 1206 I N 0.015 120.430 120.570 -0.257 0.000 5.157 1206 I HA 0.455 4.665 4.170 0.067 0.000 0.350 1206 I C -0.263 175.691 176.117 -0.272 0.000 1.233 1206 I CA -0.026 60.932 61.300 -0.570 0.000 1.476 1206 I CB 0.349 37.674 38.000 -1.125 0.000 1.619 1206 I HN 0.767 nan 8.210 nan 0.000 0.557 1207 A N 2.114 124.975 122.820 0.068 0.000 2.354 1207 A HA 0.522 4.882 4.320 0.067 0.000 0.269 1207 A C -0.206 177.510 177.584 0.221 0.000 1.109 1207 A CA -0.253 51.935 52.037 0.252 0.000 0.800 1207 A CB 0.146 19.360 19.000 0.357 0.000 1.045 1207 A HN 0.595 nan 8.150 nan 0.000 0.489 1208 N N 0.870 119.735 118.700 0.275 0.000 2.879 1208 N HA 0.300 5.080 4.740 0.067 0.000 0.329 1208 N C 0.847 176.482 175.510 0.209 0.000 1.337 1208 N CA -0.129 53.076 53.050 0.258 0.000 0.844 1208 N CB -0.192 38.500 38.487 0.342 0.000 1.236 1208 N HN 0.282 nan 8.380 nan 0.000 0.601 1209 S N 0.330 116.153 115.700 0.204 0.000 2.353 1209 S HA -0.052 4.458 4.470 0.067 0.000 0.222 1209 S C -1.021 173.664 174.600 0.141 0.000 1.035 1209 S CA 1.712 60.000 58.200 0.147 0.000 1.025 1209 S CB -1.062 62.224 63.200 0.144 0.000 0.902 1209 S HN 0.663 nan 8.310 nan 0.000 0.440 1210 P HA -0.037 nan 4.420 nan 0.000 0.216 1210 P C 1.306 178.663 177.300 0.095 0.000 1.153 1210 P CA 1.543 64.711 63.100 0.115 0.000 0.848 1210 P CB -0.175 31.590 31.700 0.107 0.000 0.787 1211 A N -0.232 122.665 122.820 0.128 0.000 1.902 1211 A HA -0.149 4.211 4.320 0.067 0.000 0.217 1211 A C 2.430 180.141 177.584 0.211 0.000 1.181 1211 A CA 2.474 54.594 52.037 0.139 0.000 0.623 1211 A CB -1.988 17.202 19.000 0.316 0.000 0.818 1211 A HN 0.173 nan 8.150 nan 0.000 0.443 1212 T N 0.426 115.119 114.554 0.232 0.000 2.720 1212 T HA -0.110 4.280 4.350 0.067 0.000 0.268 1212 T C 1.644 176.487 174.700 0.238 0.000 1.037 1212 T CA 1.646 63.898 62.100 0.253 0.000 1.144 1212 T CB -0.388 68.530 68.868 0.083 0.000 0.864 1212 T HN 0.373 nan 8.240 nan 0.000 0.444 1213 L N 1.026 122.331 121.223 0.137 0.000 2.465 1213 L HA 0.032 4.412 4.340 0.067 0.000 0.224 1213 L C 2.420 179.342 176.870 0.086 0.000 1.145 1213 L CA 1.173 56.072 54.840 0.098 0.000 0.834 1213 L CB -0.362 41.736 42.059 0.064 0.000 0.944 1213 L HN 0.448 nan 8.230 nan 0.000 0.451 1214 T N -5.525 109.079 114.554 0.083 0.000 2.992 1214 T HA 0.222 4.612 4.350 0.067 0.000 0.255 1214 T C 0.353 175.051 174.700 -0.003 0.000 0.938 1214 T CA -0.233 61.886 62.100 0.033 0.000 0.895 1214 T CB 0.471 69.344 68.868 0.009 0.000 1.221 1214 T HN -0.149 nan 8.240 nan 0.000 0.512 1215 L N 3.421 124.642 121.223 -0.004 0.000 2.408 1215 L HA 0.485 4.865 4.340 0.067 0.000 0.257 1215 L C -2.009 174.693 176.870 -0.280 0.000 1.053 1215 L CA -2.663 52.126 54.840 -0.085 0.000 0.922 1215 L CB 1.256 43.283 42.059 -0.054 0.000 1.261 1215 L HN -0.058 nan 8.230 nan 0.000 0.458 1216 P HA -0.178 nan 4.420 nan 0.000 0.221 1216 P C 0.916 177.858 177.300 -0.598 0.000 1.145 1216 P CA 1.061 63.627 63.100 -0.888 0.000 0.795 1216 P CB 0.314 31.790 31.700 -0.373 0.000 0.775 1217 E N 0.187 120.202 120.200 -0.309 0.000 2.418 1217 E HA -0.079 4.311 4.350 0.067 0.000 0.197 1217 E C 1.114 177.590 176.600 -0.207 0.000 1.026 1217 E CA 1.388 57.651 56.400 -0.228 0.000 0.862 1217 E CB -1.166 28.460 29.700 -0.122 0.000 0.799 1217 E HN 0.324 nan 8.360 nan 0.000 0.518 1218 T N -2.200 112.320 114.554 -0.056 0.000 3.060 1218 T HA 0.049 4.439 4.350 0.067 0.000 0.249 1218 T C 1.322 176.303 174.700 0.468 0.000 1.079 1218 T CA 0.050 62.329 62.100 0.299 0.000 1.013 1218 T CB -0.251 68.885 68.868 0.446 0.000 0.975 1218 T HN 0.057 nan 8.240 nan 0.000 0.518 1219 H N 1.385 120.536 119.070 0.135 0.000 2.319 1219 H HA 0.159 4.755 4.556 0.068 0.000 0.299 1219 H C 0.937 176.439 175.328 0.291 0.000 1.092 1219 H CA 0.417 56.565 56.048 0.166 0.000 1.302 1219 H CB -0.810 28.990 29.762 0.063 0.000 1.373 1219 H HN 0.400 nan 8.280 nan 0.000 0.497 1220 F N -0.120 119.973 119.950 0.239 0.000 1.692 1220 F HA -0.401 4.165 4.527 0.066 0.000 0.191 1220 F C 1.842 177.726 175.800 0.140 0.000 0.146 1220 F CA 1.549 59.659 58.000 0.183 0.000 0.579 1220 F CB -0.774 38.362 39.000 0.227 0.000 2.449 1220 F HN 0.169 nan 8.300 nan 0.000 0.549 1221 D N 0.216 120.836 120.400 0.367 0.000 2.234 1221 D HA 0.118 4.798 4.640 0.067 0.000 0.205 1221 D C 0.482 176.828 176.300 0.076 0.000 0.962 1221 D CA 1.255 55.363 54.000 0.180 0.000 0.855 1221 D CB 0.390 41.276 40.800 0.143 0.000 0.951 1221 D HN 0.166 nan 8.370 nan 0.000 0.500 1222 L N 0.639 121.895 121.223 0.056 0.000 2.466 1222 L HA 0.335 4.715 4.340 0.067 0.000 0.258 1222 L C -1.548 175.305 176.870 -0.028 0.000 0.973 1222 L CA -0.934 53.841 54.840 -0.109 0.000 0.826 1222 L CB 2.689 44.472 42.059 -0.460 0.000 1.372 1222 L HN -0.219 nan 8.230 nan 0.000 0.409 1223 V N 0.770 120.641 119.914 -0.072 0.000 2.604 1223 V HA 0.630 4.790 4.120 0.067 0.000 0.305 1223 V C -0.686 175.382 176.094 -0.043 0.000 1.043 1223 V CA -0.809 61.481 62.300 -0.017 0.000 0.888 1223 V CB 1.839 33.624 31.823 -0.064 0.000 0.995 1223 V HN 0.794 nan 8.190 nan 0.000 0.429 1224 R N 2.979 123.487 120.500 0.013 0.000 2.280 1224 R HA 0.492 4.872 4.340 0.067 0.000 0.326 1224 R C -0.109 176.232 176.300 0.069 0.000 1.080 1224 R CA -0.146 55.967 56.100 0.023 0.000 1.002 1224 R CB 1.195 31.508 30.300 0.021 0.000 1.136 1224 R HN 0.969 nan 8.270 nan 0.000 0.509 1225 T N -0.923 113.648 114.554 0.029 0.000 2.749 1225 T HA 0.457 4.847 4.350 0.067 0.000 0.287 1225 T C 0.776 175.456 174.700 -0.034 0.000 0.970 1225 T CA -0.670 61.437 62.100 0.010 0.000 0.980 1225 T CB 1.928 70.767 68.868 -0.049 0.000 0.924 1225 T HN 0.507 nan 8.240 nan 0.000 0.456 1226 G N 2.271 111.075 108.800 0.006 0.000 2.534 1226 G HA2 0.229 4.229 3.960 0.067 0.000 0.224 1226 G HA3 0.229 4.229 3.960 0.067 0.000 0.224 1226 G C 0.974 175.656 174.900 -0.364 0.000 1.822 1226 G CA -0.043 44.966 45.100 -0.151 0.000 0.805 1226 G HN 0.637 nan 8.290 nan 0.000 0.649 1227 L N 1.714 122.846 121.223 -0.151 0.000 1.991 1227 L HA -0.130 4.250 4.340 0.067 0.000 0.221 1227 L C 3.137 179.929 176.870 -0.131 0.000 1.079 1227 L CA 2.836 57.630 54.840 -0.076 0.000 0.778 1227 L CB -0.736 41.228 42.059 -0.159 0.000 0.893 1227 L HN 0.330 nan 8.230 nan 0.000 0.437 1228 A N -1.470 121.278 122.820 -0.120 0.000 1.997 1228 A HA -0.226 4.134 4.320 0.067 0.000 0.221 1228 A C 2.288 179.738 177.584 -0.223 0.000 1.172 1228 A CA 2.115 54.078 52.037 -0.122 0.000 0.645 1228 A CB -1.228 17.731 19.000 -0.070 0.000 0.813 1228 A HN 0.374 nan 8.150 nan 0.000 0.454 1229 V N -1.705 117.962 119.914 -0.412 0.000 2.490 1229 V HA -0.262 3.898 4.120 0.067 0.000 0.250 1229 V C 1.894 177.580 176.094 -0.681 0.000 1.061 1229 V CA 1.758 63.700 62.300 -0.596 0.000 1.064 1229 V CB -0.962 30.343 31.823 -0.862 0.000 0.670 1229 V HN 0.756 nan 8.190 nan 0.000 0.461 1230 Y N 0.052 120.189 120.300 -0.272 0.000 2.470 1230 Y HA 0.437 5.010 4.550 0.039 0.000 0.284 1230 Y C 1.787 177.597 175.900 -0.150 0.000 1.188 1230 Y CA 0.344 58.247 58.100 -0.329 0.000 1.269 1230 Y CB -0.190 37.916 38.460 -0.589 0.000 1.094 1230 Y HN 0.292 nan 8.280 nan 0.000 0.518 1231 G N 0.700 109.469 108.800 -0.053 0.000 2.176 1231 G HA2 -0.247 3.753 3.960 0.067 0.000 0.252 1231 G HA3 -0.247 3.753 3.960 0.067 0.000 0.252 1231 G C -0.437 174.475 174.900 0.019 0.000 1.024 1231 G CA 0.240 45.335 45.100 -0.008 0.000 0.755 1231 G HN 0.179 nan 8.290 nan 0.000 0.507 1232 V N -0.024 119.895 119.914 0.008 0.000 2.628 1232 V HA 0.757 4.918 4.120 0.067 0.000 0.306 1232 V C 0.698 176.773 176.094 -0.031 0.000 1.045 1232 V CA -0.176 62.127 62.300 0.004 0.000 0.905 1232 V CB 1.912 33.740 31.823 0.007 0.000 0.997 1232 V HN 0.635 nan 8.190 nan 0.000 0.436 1233 S N 4.575 120.268 115.700 -0.012 0.000 2.523 1233 S HA 0.335 4.845 4.470 0.067 0.000 0.275 1233 S C -1.351 173.244 174.600 -0.010 0.000 1.281 1233 S CA -1.105 57.094 58.200 -0.002 0.000 1.050 1233 S CB 1.296 64.509 63.200 0.022 0.000 0.937 1233 S HN 0.593 nan 8.310 nan 0.000 0.492 1234 P HA -0.065 nan 4.420 nan 0.000 0.216 1234 P C 0.159 177.569 177.300 0.184 0.000 1.154 1234 P CA 1.034 64.204 63.100 0.117 0.000 0.865 1234 P CB 0.116 31.935 31.700 0.198 0.000 0.789 1235 S N -4.406 111.365 115.700 0.117 0.000 2.570 1235 S HA 0.453 4.963 4.470 0.067 0.000 0.270 1235 S C -2.604 172.038 174.600 0.070 0.000 1.149 1235 S CA -1.407 56.856 58.200 0.106 0.000 0.837 1235 S CB 1.311 64.574 63.200 0.105 0.000 1.124 1235 S HN -0.278 nan 8.310 nan 0.000 0.465 1236 P HA 0.097 nan 4.420 nan 0.000 0.223 1236 P C 0.699 178.022 177.300 0.039 0.000 1.151 1236 P CA 0.904 64.032 63.100 0.047 0.000 0.787 1236 P CB 0.008 31.735 31.700 0.045 0.000 0.788 1237 E N -0.899 119.326 120.200 0.040 0.000 2.338 1237 E HA -0.069 4.321 4.350 0.067 0.000 0.197 1237 E C 1.454 178.072 176.600 0.029 0.000 1.007 1237 E CA 0.592 57.011 56.400 0.032 0.000 0.849 1237 E CB -0.509 29.210 29.700 0.032 0.000 0.774 1237 E HN 0.206 nan 8.360 nan 0.000 0.506 1238 L N -0.929 120.315 121.223 0.036 0.000 2.416 1238 L HA 0.216 4.596 4.340 0.067 0.000 0.216 1238 L C 0.955 177.842 176.870 0.029 0.000 1.098 1238 L CA 0.651 55.511 54.840 0.033 0.000 0.840 1238 L CB 0.485 42.569 42.059 0.043 0.000 0.981 1238 L HN 0.173 nan 8.230 nan 0.000 0.462 1239 G N -1.212 107.606 108.800 0.030 0.000 2.423 1239 G HA2 -0.015 3.985 3.960 0.067 0.000 0.684 1239 G HA3 -0.015 3.985 3.960 0.067 0.000 0.684 1239 G C -0.314 174.602 174.900 0.027 0.000 1.309 1239 G CA -0.499 44.617 45.100 0.026 0.000 0.950 1239 G HN 0.131 nan 8.290 nan 0.000 0.587 1240 T N -1.246 113.322 114.554 0.024 0.000 2.874 1240 T HA 0.670 5.060 4.350 0.067 0.000 0.281 1240 T C -1.080 173.633 174.700 0.022 0.000 0.994 1240 T CA -0.696 61.419 62.100 0.025 0.000 1.015 1240 T CB 1.923 70.806 68.868 0.024 0.000 1.028 1240 T HN 0.277 nan 8.240 nan 0.000 0.523 1241 P HA -0.075 nan 4.420 nan 0.000 0.216 1241 P C 1.689 178.998 177.300 0.015 0.000 1.150 1241 P CA 1.635 64.745 63.100 0.017 0.000 0.843 1241 P CB -0.365 31.347 31.700 0.020 0.000 0.787 1242 A N -0.003 122.828 122.820 0.018 0.000 1.873 1242 A HA -0.309 4.051 4.320 0.067 0.000 0.218 1242 A C 2.233 179.826 177.584 0.015 0.000 1.193 1242 A CA 2.123 54.170 52.037 0.017 0.000 0.629 1242 A CB -1.571 17.440 19.000 0.018 0.000 0.826 1242 A HN 0.228 nan 8.150 nan 0.000 0.447 1243 Q N -1.236 118.573 119.800 0.016 0.000 2.224 1243 Q HA -0.041 4.339 4.340 0.067 0.000 0.203 1243 Q C 1.590 177.599 176.000 0.015 0.000 0.970 1243 Q CA 0.959 56.771 55.803 0.015 0.000 0.865 1243 Q CB -0.184 28.563 28.738 0.016 0.000 0.922 1243 Q HN 0.468 nan 8.270 nan 0.000 0.445 1244 L N -0.949 120.283 121.223 0.014 0.000 2.492 1244 L HA 0.135 4.515 4.340 0.067 0.000 0.223 1244 L C 1.260 178.136 176.870 0.009 0.000 1.132 1244 L CA 1.464 56.312 54.840 0.013 0.000 0.850 1244 L CB -0.344 41.723 42.059 0.013 0.000 0.966 1244 L HN 0.374 nan 8.230 nan 0.000 0.454 1245 G N -1.073 107.732 108.800 0.009 0.000 2.136 1245 G HA2 -0.229 3.771 3.960 0.067 0.000 0.242 1245 G HA3 -0.229 3.771 3.960 0.067 0.000 0.242 1245 G C 0.051 174.951 174.900 0.001 0.000 0.989 1245 G CA 0.131 45.235 45.100 0.006 0.000 0.682 1245 G HN 0.139 nan 8.290 nan 0.000 0.522 1246 L N -0.471 120.751 121.223 -0.000 0.000 2.352 1246 L HA 0.823 5.203 4.340 0.067 0.000 0.269 1246 L C 0.688 177.560 176.870 0.003 0.000 1.034 1246 L CA -1.246 53.589 54.840 -0.007 0.000 0.806 1246 L CB 1.579 43.630 42.059 -0.014 0.000 1.244 1246 L HN 0.313 nan 8.230 nan 0.000 0.447 1247 R N 1.902 122.403 120.500 0.002 0.000 2.476 1247 R HA 0.501 4.881 4.340 0.067 0.000 0.305 1247 R C -2.589 173.728 176.300 0.028 0.000 0.965 1247 R CA -1.657 54.453 56.100 0.016 0.000 0.867 1247 R CB 1.780 32.091 30.300 0.017 0.000 1.176 1247 R HN 0.309 nan 8.270 nan 0.000 0.447 1248 P HA 0.001 nan 4.420 nan 0.000 0.262 1248 P C -0.421 176.935 177.300 0.093 0.000 1.199 1248 P CA 0.349 63.493 63.100 0.072 0.000 0.763 1248 P CB 1.292 33.032 31.700 0.067 0.000 0.790 1249 A N 4.483 127.391 122.820 0.147 0.000 2.021 1249 A HA 0.037 4.397 4.320 0.067 0.000 0.216 1249 A C 1.009 178.716 177.584 0.205 0.000 1.163 1249 A CA 0.823 52.972 52.037 0.186 0.000 0.676 1249 A CB -0.314 18.819 19.000 0.222 0.000 0.818 1249 A HN 0.546 nan 8.150 nan 0.000 0.453 1250 M N 0.931 120.654 119.600 0.205 0.000 2.336 1250 M HA 0.415 4.935 4.480 0.067 0.000 0.342 1250 M C -1.533 174.752 176.300 -0.025 0.000 1.128 1250 M CA 0.022 55.335 55.300 0.021 0.000 1.016 1250 M CB 1.687 34.175 32.600 -0.187 0.000 1.665 1250 M HN 0.072 nan 8.290 nan 0.000 0.445 1251 T N 5.390 119.901 114.554 -0.072 0.000 2.847 1251 T HA 0.445 4.835 4.350 0.067 0.000 0.291 1251 T C -1.100 173.494 174.700 -0.178 0.000 0.998 1251 T CA -0.537 61.510 62.100 -0.089 0.000 0.967 1251 T CB 1.233 70.067 68.868 -0.057 0.000 0.954 1251 T HN 0.606 nan 8.240 nan 0.000 0.441 1252 L N 4.912 126.017 121.223 -0.196 0.000 2.257 1252 L HA 0.583 4.963 4.340 0.067 0.000 0.290 1252 L C -0.200 176.491 176.870 -0.298 0.000 1.044 1252 L CA -0.013 54.664 54.840 -0.271 0.000 0.810 1252 L CB 0.181 42.088 42.059 -0.253 0.000 1.193 1252 L HN 0.523 nan 8.230 nan 0.000 0.425 1253 R N 4.052 124.259 120.500 -0.488 0.000 2.740 1253 R HA 0.947 5.327 4.340 0.067 0.000 0.282 1253 R C -1.217 174.845 176.300 -0.396 0.000 0.969 1253 R CA -0.898 54.933 56.100 -0.447 0.000 0.918 1253 R CB 2.009 31.978 30.300 -0.551 0.000 1.175 1253 R HN 0.727 nan 8.270 nan 0.000 0.464 1254 A N 0.913 123.610 122.820 -0.205 0.000 2.556 1254 A HA 0.669 5.029 4.320 0.067 0.000 0.294 1254 A C -1.071 176.469 177.584 -0.073 0.000 1.091 1254 A CA -0.671 51.292 52.037 -0.123 0.000 0.704 1254 A CB 2.166 21.095 19.000 -0.118 0.000 1.300 1254 A HN 0.529 nan 8.150 nan 0.000 0.406 1255 S N 0.646 116.319 115.700 -0.045 0.000 2.475 1255 S HA 0.551 5.061 4.470 0.067 0.000 0.298 1255 S C -0.087 174.474 174.600 -0.065 0.000 1.119 1255 S CA -0.498 57.680 58.200 -0.036 0.000 1.085 1255 S CB 0.773 63.970 63.200 -0.005 0.000 1.028 1255 S HN 0.549 nan 8.310 nan 0.000 0.489 1256 L N 2.301 123.483 121.223 -0.069 0.000 2.514 1256 L HA 0.099 4.479 4.340 0.067 0.000 0.280 1256 L C 1.232 178.058 176.870 -0.074 0.000 1.223 1256 L CA -0.169 54.618 54.840 -0.088 0.000 0.864 1256 L CB 0.308 42.321 42.059 -0.078 0.000 1.118 1256 L HN 0.889 nan 8.230 nan 0.000 0.494 1257 A N 4.130 126.899 122.820 -0.086 0.000 2.252 1257 A HA 0.423 4.783 4.320 0.067 0.000 0.213 1257 A C 0.012 177.560 177.584 -0.059 0.000 1.188 1257 A CA 0.233 52.230 52.037 -0.068 0.000 0.863 1257 A CB 0.460 19.416 19.000 -0.074 0.000 0.893 1257 A HN 0.482 nan 8.150 nan 0.000 0.495 1258 L N -1.349 119.834 121.223 -0.067 0.000 2.700 1258 L HA 0.483 4.863 4.340 0.067 0.000 0.255 1258 L C -2.078 174.759 176.870 -0.055 0.000 0.933 1258 L CA -0.240 54.568 54.840 -0.054 0.000 0.920 1258 L CB 2.035 44.063 42.059 -0.050 0.000 1.472 1258 L HN -0.078 nan 8.230 nan 0.000 0.426 1259 V N 4.278 124.168 119.914 -0.040 0.000 2.524 1259 V HA 0.704 4.864 4.120 0.067 0.000 0.297 1259 V C -0.674 175.419 176.094 -0.002 0.000 1.035 1259 V CA -0.625 61.657 62.300 -0.030 0.000 0.867 1259 V CB 1.658 33.453 31.823 -0.047 0.000 1.004 1259 V HN 0.816 nan 8.190 nan 0.000 0.426 1260 K N 1.600 122.012 120.400 0.021 0.000 2.495 1260 K HA 0.769 5.129 4.320 0.067 0.000 0.268 1260 K C -1.042 175.606 176.600 0.080 0.000 1.008 1260 K CA -0.743 55.569 56.287 0.041 0.000 0.882 1260 K CB 2.355 34.855 32.500 -0.001 0.000 1.443 1260 K HN 0.379 nan 8.250 nan 0.000 0.447 1261 T N 1.127 115.718 114.554 0.061 0.000 2.829 1261 T HA 0.470 4.860 4.350 0.067 0.000 0.282 1261 T C -0.435 174.238 174.700 -0.046 0.000 0.990 1261 T CA -0.686 61.408 62.100 -0.009 0.000 1.028 1261 T CB 1.173 70.030 68.868 -0.017 0.000 0.951 1261 T HN 0.512 nan 8.240 nan 0.000 0.460 1262 V N 1.245 121.112 119.914 -0.078 0.000 2.876 1262 V HA 0.796 4.956 4.120 0.067 0.000 0.312 1262 V C -2.793 173.291 176.094 -0.017 0.000 1.085 1262 V CA -2.897 59.367 62.300 -0.060 0.000 0.945 1262 V CB 1.889 33.606 31.823 -0.175 0.000 1.017 1262 V HN 0.593 nan 8.190 nan 0.000 0.428 1263 P HA 0.332 nan 4.420 nan 0.000 0.274 1263 P C -0.192 177.129 177.300 0.035 0.000 1.260 1263 P CA 0.003 63.122 63.100 0.033 0.000 0.793 1263 P CB 0.743 32.472 31.700 0.047 0.000 1.048 1264 A N -0.404 122.419 122.820 0.005 0.000 2.388 1264 A HA 0.495 4.855 4.320 0.067 0.000 0.257 1264 A C 1.282 178.860 177.584 -0.011 0.000 1.095 1264 A CA 0.407 52.439 52.037 -0.009 0.000 0.791 1264 A CB -1.216 17.771 19.000 -0.022 0.000 1.029 1264 A HN 0.868 nan 8.150 nan 0.000 0.489 1265 G N 0.287 109.070 108.800 -0.029 0.000 2.143 1265 G HA2 -0.206 3.794 3.960 0.067 0.000 0.249 1265 G HA3 -0.206 3.794 3.960 0.067 0.000 0.249 1265 G C 0.210 175.074 174.900 -0.060 0.000 0.981 1265 G CA 0.440 45.506 45.100 -0.057 0.000 0.665 1265 G HN 1.257 nan 8.290 nan 0.000 0.528 1266 H N 1.158 120.165 119.070 -0.105 0.000 2.580 1266 H HA 0.543 5.139 4.556 0.068 0.000 0.322 1266 H C 1.002 176.220 175.328 -0.183 0.000 1.082 1266 H CA 0.567 56.543 56.048 -0.119 0.000 1.383 1266 H CB 0.840 30.567 29.762 -0.059 0.000 1.450 1266 H HN 0.365 nan 8.280 nan 0.000 0.505 1267 G N 3.014 111.744 108.800 -0.117 0.000 2.503 1267 G HA2 0.401 4.401 3.960 0.067 0.000 0.257 1267 G HA3 0.401 4.401 3.960 0.067 0.000 0.257 1267 G C -0.844 174.069 174.900 0.023 0.000 1.214 1267 G CA -0.436 44.385 45.100 -0.464 0.000 0.839 1267 G HN 0.485 nan 8.290 nan 0.000 0.559 1268 V N 1.363 121.390 119.914 0.188 0.000 2.443 1268 V HA 0.645 4.805 4.120 0.067 0.000 0.293 1268 V C 0.423 176.681 176.094 0.272 0.000 1.021 1268 V CA 0.156 62.610 62.300 0.257 0.000 0.848 1268 V CB 0.491 32.485 31.823 0.285 0.000 0.998 1268 V HN 1.437 nan 8.190 nan 0.000 0.424 1269 S N 3.565 119.370 115.700 0.174 0.000 3.845 1269 S HA -0.162 4.348 4.470 0.067 0.000 0.641 1269 S C -0.529 174.111 174.600 0.067 0.000 1.900 1269 S CA -0.223 57.983 58.200 0.010 0.000 2.062 1269 S CB -0.529 62.690 63.200 0.032 0.000 0.327 1269 S HN 0.720 nan 8.310 nan 0.000 1.788 1270 Y N 1.552 121.938 120.300 0.144 0.000 2.702 1270 Y HA 0.333 4.923 4.550 0.066 0.000 0.336 1270 Y C 1.980 177.950 175.900 0.117 0.000 1.235 1270 Y CA 0.968 59.124 58.100 0.094 0.000 1.492 1270 Y CB -0.368 38.165 38.460 0.122 0.000 1.308 1270 Y HN 1.550 nan 8.280 nan 0.000 0.589 1271 G N 1.296 110.184 108.800 0.146 0.000 2.196 1271 G HA2 -0.413 3.587 3.960 0.067 0.000 0.268 1271 G HA3 -0.413 3.587 3.960 0.067 0.000 0.268 1271 G C 0.232 174.945 174.900 -0.312 0.000 0.975 1271 G CA 0.488 45.523 45.100 -0.109 0.000 0.648 1271 G HN 1.111 nan 8.290 nan 0.000 0.538 1272 H N -1.481 117.536 119.070 -0.087 0.000 2.604 1272 H HA -0.226 4.370 4.556 0.066 0.000 0.321 1272 H C 1.189 176.443 175.328 -0.122 0.000 1.132 1272 H CA 0.506 56.523 56.048 -0.052 0.000 1.129 1272 H CB -0.951 28.784 29.762 -0.045 0.000 1.526 1272 H HN 0.794 nan 8.280 nan 0.000 0.415 1273 H N -1.010 118.207 119.070 0.245 0.000 2.547 1273 H HA 0.106 4.703 4.556 0.067 0.000 0.266 1273 H C 0.006 175.456 175.328 0.203 0.000 0.988 1273 H CA 0.778 56.936 56.048 0.182 0.000 1.147 1273 H CB 0.367 30.224 29.762 0.159 0.000 1.365 1273 H HN 0.460 nan 8.280 nan 0.000 0.589 1274 Y N 0.336 120.723 120.300 0.145 0.000 2.421 1274 Y HA 0.458 5.049 4.550 0.069 0.000 0.339 1274 Y C -1.647 174.272 175.900 0.031 0.000 0.996 1274 Y CA -1.198 56.955 58.100 0.087 0.000 1.046 1274 Y CB 1.311 39.825 38.460 0.090 0.000 1.226 1274 Y HN -0.271 nan 8.280 nan 0.000 0.445 1275 V N 4.812 124.379 119.914 -0.579 0.000 2.531 1275 V HA 0.345 4.505 4.120 0.067 0.000 0.301 1275 V C -0.169 175.611 176.094 -0.523 0.000 1.034 1275 V CA -0.795 61.278 62.300 -0.379 0.000 0.865 1275 V CB 1.844 33.527 31.823 -0.233 0.000 0.995 1275 V HN 0.885 nan 8.190 nan 0.000 0.424 1276 T N 0.492 114.913 114.554 -0.222 0.000 2.946 1276 T HA 0.121 4.512 4.350 0.067 0.000 0.311 1276 T C 0.739 175.364 174.700 -0.125 0.000 1.063 1276 T CA 0.077 62.110 62.100 -0.111 0.000 1.139 1276 T CB 1.171 70.054 68.868 0.025 0.000 0.994 1276 T HN 0.724 nan 8.240 nan 0.000 0.547 1277 E N 1.041 121.186 120.200 -0.092 0.000 2.250 1277 E HA 0.139 4.529 4.350 0.067 0.000 0.192 1277 E C 0.532 177.106 176.600 -0.043 0.000 0.986 1277 E CA 0.589 56.946 56.400 -0.071 0.000 0.849 1277 E CB 0.345 30.015 29.700 -0.051 0.000 0.797 1277 E HN 0.907 nan 8.360 nan 0.000 0.482 1278 S N -1.247 114.435 115.700 -0.030 0.000 2.636 1278 S HA 0.182 4.692 4.470 0.067 0.000 0.268 1278 S C -0.840 173.740 174.600 -0.033 0.000 1.159 1278 S CA -1.157 57.026 58.200 -0.028 0.000 0.815 1278 S CB 1.020 64.204 63.200 -0.025 0.000 1.130 1278 S HN 0.082 nan 8.310 nan 0.000 0.471 1279 E N 0.429 120.603 120.200 -0.044 0.000 2.585 1279 E HA 0.287 4.677 4.350 0.067 0.000 0.252 1279 E C -0.252 176.275 176.600 -0.121 0.000 0.981 1279 E CA 0.582 56.940 56.400 -0.070 0.000 0.943 1279 E CB 0.166 29.823 29.700 -0.072 0.000 0.923 1279 E HN 0.605 nan 8.360 nan 0.000 0.486 1280 T N 3.033 117.499 114.554 -0.146 0.000 2.696 1280 T HA 0.343 4.733 4.350 0.067 0.000 0.291 1280 T C -1.628 172.908 174.700 -0.274 0.000 1.095 1280 T CA -0.653 61.327 62.100 -0.199 0.000 1.026 1280 T CB 0.751 69.593 68.868 -0.044 0.000 1.390 1280 T HN 0.591 nan 8.240 nan 0.000 0.513 1281 H N 0.391 119.461 119.070 -0.000 0.000 2.466 1281 H HA 0.671 5.268 4.556 0.067 0.000 0.338 1281 H C -0.603 174.712 175.328 -0.022 0.000 1.091 1281 H CA -0.560 55.479 56.048 -0.015 0.000 1.207 1281 H CB 1.119 30.873 29.762 -0.014 0.000 1.466 1281 H HN 0.233 nan 8.280 nan 0.000 0.493 1282 L N 2.126 123.394 121.223 0.075 0.000 2.342 1282 L HA 0.765 5.145 4.340 0.067 0.000 0.271 1282 L C -0.270 176.591 176.870 -0.015 0.000 1.008 1282 L CA -1.013 53.831 54.840 0.006 0.000 0.818 1282 L CB 1.822 43.858 42.059 -0.039 0.000 1.296 1282 L HN 0.639 nan 8.230 nan 0.000 0.427 1283 A N 2.466 125.257 122.820 -0.049 0.000 2.365 1283 A HA 0.743 5.103 4.320 0.067 0.000 0.318 1283 A C -1.378 176.128 177.584 -0.130 0.000 1.091 1283 A CA -0.496 51.494 52.037 -0.078 0.000 0.763 1283 A CB 1.653 20.607 19.000 -0.077 0.000 1.248 1283 A HN 0.522 nan 8.150 nan 0.000 0.442 1284 L N 3.092 124.230 121.223 -0.142 0.000 2.265 1284 L HA 0.578 4.958 4.340 0.067 0.000 0.289 1284 L C -0.751 175.963 176.870 -0.259 0.000 1.033 1284 L CA -0.136 54.591 54.840 -0.188 0.000 0.814 1284 L CB 1.368 43.348 42.059 -0.132 0.000 1.203 1284 L HN 0.400 nan 8.230 nan 0.000 0.423 1285 V N 7.839 127.483 119.914 -0.449 0.000 2.364 1285 V HA 0.375 4.535 4.120 0.067 0.000 0.272 1285 V C -1.798 174.060 176.094 -0.393 0.000 1.036 1285 V CA -1.143 60.837 62.300 -0.534 0.000 0.880 1285 V CB 1.094 32.260 31.823 -1.094 0.000 0.991 1285 V HN 0.717 nan 8.190 nan 0.000 0.460 1286 P HA 0.327 nan 4.420 nan 0.000 0.220 1286 P C -0.336 176.911 177.300 -0.089 0.000 1.778 1286 P CA 0.209 63.229 63.100 -0.133 0.000 0.912 1286 P CB 0.316 31.959 31.700 -0.094 0.000 1.861 1287 A N -0.023 122.758 122.820 -0.065 0.000 2.398 1287 A HA 0.768 5.129 4.320 0.067 0.000 0.301 1287 A C -0.019 177.643 177.584 0.129 0.000 1.041 1287 A CA -0.527 51.518 52.037 0.014 0.000 0.711 1287 A CB 1.667 20.679 19.000 0.020 0.000 1.240 1287 A HN 0.305 nan 8.150 nan 0.000 0.420 1288 G N -0.404 108.419 108.800 0.039 0.000 3.176 1288 G HA2 0.487 4.487 3.960 0.067 0.000 0.272 1288 G HA3 0.487 4.487 3.960 0.067 0.000 0.272 1288 G C 0.354 175.249 174.900 -0.010 0.000 1.349 1288 G CA 0.141 45.251 45.100 0.017 0.000 0.953 1288 G HN 1.223 nan 8.290 nan 0.000 0.559 1289 Y N -1.253 119.072 120.300 0.042 0.000 2.497 1289 Y HA 0.258 4.847 4.550 0.065 0.000 0.292 1289 Y C 2.386 178.286 175.900 -0.000 0.000 1.137 1289 Y CA 0.980 59.085 58.100 0.008 0.000 1.285 1289 Y CB -0.827 37.644 38.460 0.019 0.000 0.991 1289 Y HN 0.330 nan 8.280 nan 0.000 0.556 1290 A N 0.618 123.451 122.820 0.022 0.000 2.014 1290 A HA -0.091 4.269 4.320 0.067 0.000 0.218 1290 A C 1.645 179.240 177.584 0.019 0.000 1.163 1290 A CA 1.361 53.429 52.037 0.052 0.000 0.652 1290 A CB -0.507 18.469 19.000 -0.041 0.000 0.808 1290 A HN 0.529 nan 8.150 nan 0.000 0.449 1291 D N -1.333 119.060 120.400 -0.011 0.000 2.339 1291 D HA 0.234 4.914 4.640 0.067 0.000 0.217 1291 D C 1.234 177.507 176.300 -0.045 0.000 1.050 1291 D CA 1.003 54.984 54.000 -0.032 0.000 0.856 1291 D CB 0.415 41.187 40.800 -0.046 0.000 0.922 1291 D HN 0.581 nan 8.370 nan 0.000 0.518 1292 G N 1.085 109.876 108.800 -0.015 0.000 2.184 1292 G HA2 -0.205 3.796 3.960 0.067 0.000 0.206 1292 G HA3 -0.205 3.796 3.960 0.067 0.000 0.206 1292 G C 0.192 175.041 174.900 -0.086 0.000 0.995 1292 G CA -0.548 44.526 45.100 -0.044 0.000 0.651 1292 G HN 0.184 nan 8.290 nan 0.000 0.511 1293 I N 3.137 123.660 120.570 -0.078 0.000 2.363 1293 I HA 0.261 4.471 4.170 0.067 0.000 0.292 1293 I C -1.703 174.421 176.117 0.013 0.000 1.075 1293 I CA -3.085 58.120 61.300 -0.157 0.000 1.333 1293 I CB 0.129 38.045 38.000 -0.141 0.000 1.415 1293 I HN -0.041 nan 8.210 nan 0.000 0.502 1294 P HA 0.034 nan 4.420 nan 0.000 0.264 1294 P C 0.749 178.107 177.300 0.096 0.000 1.193 1294 P CA -0.071 63.076 63.100 0.077 0.000 0.763 1294 P CB 0.758 32.511 31.700 0.090 0.000 0.810 1295 R N 3.537 124.075 120.500 0.063 0.000 2.189 1295 R HA -0.080 4.301 4.340 0.067 0.000 0.218 1295 R C 1.007 177.314 176.300 0.012 0.000 1.074 1295 R CA 1.189 57.330 56.100 0.068 0.000 0.991 1295 R CB -0.249 30.024 30.300 -0.045 0.000 0.883 1295 R HN 0.421 nan 8.270 nan 0.000 0.457 1296 N N 0.033 118.726 118.700 -0.012 0.000 2.550 1296 N HA -0.043 4.738 4.740 0.067 0.000 0.186 1296 N C 0.767 176.226 175.510 -0.085 0.000 1.110 1296 N CA 0.803 53.832 53.050 -0.036 0.000 0.912 1296 N CB 0.365 38.841 38.487 -0.019 0.000 0.968 1296 N HN 0.209 nan 8.380 nan 0.000 0.448 1297 A N -0.424 122.369 122.820 -0.046 0.000 2.307 1297 A HA 0.215 4.575 4.320 0.067 0.000 0.218 1297 A C 0.659 178.155 177.584 -0.147 0.000 1.228 1297 A CA -0.281 51.689 52.037 -0.111 0.000 0.857 1297 A CB 0.099 19.118 19.000 0.033 0.000 0.897 1297 A HN 0.073 nan 8.150 nan 0.000 0.495 1298 S N -0.030 115.618 115.700 -0.086 0.000 2.575 1298 S HA 0.353 4.863 4.470 0.067 0.000 0.295 1298 S C 1.538 176.088 174.600 -0.084 0.000 1.267 1298 S CA 1.081 59.241 58.200 -0.067 0.000 1.074 1298 S CB 0.240 63.431 63.200 -0.014 0.000 0.829 1298 S HN 1.572 nan 8.310 nan 0.000 0.497 1299 G N 3.552 112.304 108.800 -0.080 0.000 2.184 1299 G HA2 -0.287 3.713 3.960 0.067 0.000 0.264 1299 G HA3 -0.287 3.713 3.960 0.067 0.000 0.264 1299 G C 0.776 175.610 174.900 -0.109 0.000 0.975 1299 G CA 0.650 45.717 45.100 -0.055 0.000 0.642 1299 G HN 0.658 nan 8.290 nan 0.000 0.536 1300 R N -0.121 120.259 120.500 -0.200 0.000 2.573 1300 R HA 0.236 4.616 4.340 0.067 0.000 0.224 1300 R C 1.555 177.584 176.300 -0.452 0.000 0.904 1300 R CA 0.192 56.134 56.100 -0.263 0.000 0.995 1300 R CB 0.302 30.450 30.300 -0.254 0.000 1.430 1300 R HN 0.434 nan 8.270 nan 0.000 0.631 1301 G N 5.261 113.677 108.800 -0.641 0.000 2.150 1301 G HA2 0.040 4.040 3.960 0.067 0.000 0.250 1301 G HA3 0.040 4.040 3.960 0.067 0.000 0.250 1301 G C -2.344 171.997 174.900 -0.932 0.000 1.179 1301 G CA -0.358 43.926 45.100 -1.361 0.000 0.934 1301 G HN -0.019 nan 8.290 nan 0.000 0.453 1302 P HA 0.418 nan 4.420 nan 0.000 0.285 1302 P C -0.562 176.762 177.300 0.040 0.000 1.259 1302 P CA -0.439 62.453 63.100 -0.348 0.000 0.794 1302 P CB 1.965 33.478 31.700 -0.311 0.000 0.940 1303 V N 3.636 123.627 119.914 0.128 0.000 2.888 1303 V HA 0.265 4.426 4.120 0.067 0.000 0.309 1303 V C -0.404 175.764 176.094 0.122 0.000 1.114 1303 V CA -0.876 61.566 62.300 0.236 0.000 0.940 1303 V CB 2.364 34.388 31.823 0.335 0.000 1.021 1303 V HN 0.374 nan 8.190 nan 0.000 0.426 1304 L N 5.561 126.846 121.223 0.104 0.000 2.255 1304 L HA 0.772 5.152 4.340 0.067 0.000 0.289 1304 L C -0.683 176.208 176.870 0.036 0.000 1.046 1304 L CA 0.166 55.040 54.840 0.057 0.000 0.816 1304 L CB 1.007 43.094 42.059 0.047 0.000 1.197 1304 L HN 0.469 nan 8.230 nan 0.000 0.427 1305 V N 4.455 124.383 119.914 0.024 0.000 2.686 1305 V HA 0.711 4.871 4.120 0.067 0.000 0.306 1305 V C 0.479 176.573 176.094 -0.000 0.000 1.065 1305 V CA -0.734 61.569 62.300 0.005 0.000 0.894 1305 V CB 1.287 33.108 31.823 -0.003 0.000 1.004 1305 V HN 1.012 nan 8.190 nan 0.000 0.424 1306 A N 3.358 126.173 122.820 -0.008 0.000 2.251 1306 A HA 0.132 4.492 4.320 0.067 0.000 0.283 1306 A C 1.826 179.408 177.584 -0.003 0.000 1.415 1306 A CA 1.371 53.402 52.037 -0.011 0.000 0.742 1306 A CB -1.438 17.550 19.000 -0.021 0.000 1.151 1306 A HN 2.825 nan 8.150 nan 0.000 0.354 1307 G N -0.721 108.080 108.800 0.001 0.000 2.238 1307 G HA2 -0.350 3.650 3.960 0.067 0.000 0.270 1307 G HA3 -0.350 3.650 3.960 0.067 0.000 0.270 1307 G C 0.272 175.176 174.900 0.008 0.000 0.977 1307 G CA 1.657 46.760 45.100 0.005 0.000 0.639 1307 G HN 1.298 nan 8.290 nan 0.000 0.544 1308 K N -0.479 119.926 120.400 0.009 0.000 2.443 1308 K HA 0.623 4.983 4.320 0.067 0.000 0.251 1308 K C -0.193 176.416 176.600 0.016 0.000 0.972 1308 K CA -1.279 55.015 56.287 0.012 0.000 0.833 1308 K CB 1.685 34.192 32.500 0.012 0.000 1.317 1308 K HN -0.033 nan 8.250 nan 0.000 0.441 1309 I N 3.327 123.905 120.570 0.014 0.000 2.471 1309 I HA 0.137 4.348 4.170 0.067 0.000 0.286 1309 I C 0.460 176.583 176.117 0.011 0.000 1.079 1309 I CA 0.053 61.362 61.300 0.014 0.000 1.398 1309 I CB 0.082 38.083 38.000 0.003 0.000 1.403 1309 I HN 0.432 nan 8.210 nan 0.000 0.530 1310 R N 5.442 125.954 120.500 0.021 0.000 2.856 1310 R HA 0.679 5.059 4.340 0.067 0.000 0.258 1310 R C -0.446 175.857 176.300 0.005 0.000 1.066 1310 R CA -1.220 54.892 56.100 0.019 0.000 1.045 1310 R CB 1.177 31.497 30.300 0.033 0.000 1.178 1310 R HN 0.346 nan 8.270 nan 0.000 0.499 1311 R N -0.138 120.354 120.500 -0.012 0.000 2.670 1311 R HA 0.508 4.888 4.340 0.067 0.000 0.289 1311 R C -0.934 175.346 176.300 -0.033 0.000 0.965 1311 R CA -0.652 55.413 56.100 -0.058 0.000 0.899 1311 R CB 1.851 32.106 30.300 -0.074 0.000 1.173 1311 R HN 0.865 nan 8.270 nan 0.000 0.456 1312 A N 2.011 124.797 122.820 -0.057 0.000 2.546 1312 A HA 0.414 4.774 4.320 0.067 0.000 0.243 1312 A C -0.216 177.314 177.584 -0.091 0.000 1.063 1312 A CA 0.495 52.532 52.037 -0.000 0.000 0.757 1312 A CB -0.132 18.741 19.000 -0.212 0.000 0.991 1312 A HN 0.707 nan 8.150 nan 0.000 0.503 1313 A N 3.264 126.004 122.820 -0.134 0.000 2.280 1313 A HA 0.673 5.033 4.320 0.067 0.000 0.320 1313 A C 1.089 178.546 177.584 -0.211 0.000 1.366 1313 A CA 0.540 52.285 52.037 -0.486 0.000 0.938 1313 A CB -0.702 17.775 19.000 -0.872 0.000 1.157 1313 A HN 2.897 nan 8.150 nan 0.000 0.536 1314 G N 1.776 110.567 108.800 -0.014 0.000 2.593 1314 G HA2 -0.150 3.850 3.960 0.067 0.000 0.237 1314 G HA3 -0.150 3.850 3.960 0.067 0.000 0.237 1314 G C -0.039 174.939 174.900 0.130 0.000 1.312 1314 G CA -0.119 45.088 45.100 0.178 0.000 0.896 1314 G HN 1.000 nan 8.290 nan 0.000 0.574 1315 R N -0.480 120.136 120.500 0.193 0.000 2.537 1315 R HA 0.495 4.875 4.340 0.067 0.000 0.280 1315 R C 0.728 177.126 176.300 0.163 0.000 1.058 1315 R CA 0.018 56.227 56.100 0.182 0.000 1.057 1315 R CB 0.198 30.673 30.300 0.292 0.000 0.973 1315 R HN 0.443 nan 8.270 nan 0.000 0.438 1316 I N 3.157 123.819 120.570 0.154 0.000 2.371 1316 I HA 0.221 4.431 4.170 0.067 0.000 0.290 1316 I C 0.597 176.876 176.117 0.271 0.000 1.028 1316 I CA -0.172 61.228 61.300 0.166 0.000 1.345 1316 I CB 1.389 39.427 38.000 0.062 0.000 1.407 1316 I HN 0.678 nan 8.210 nan 0.000 0.501 1317 A N 6.148 129.082 122.820 0.191 0.000 2.239 1317 A HA 0.398 4.758 4.320 0.067 0.000 0.303 1317 A C 1.080 178.471 177.584 -0.321 0.000 1.114 1317 A CA -0.596 51.513 52.037 0.120 0.000 0.871 1317 A CB 0.779 19.827 19.000 0.080 0.000 1.201 1317 A HN 0.875 nan 8.150 nan 0.000 0.506 1318 M N -0.528 118.695 119.600 -0.628 0.000 2.108 1318 M HA -0.158 4.362 4.480 0.067 0.000 0.261 1318 M C 0.298 176.325 176.300 -0.456 0.000 1.066 1318 M CA 2.358 57.036 55.300 -1.035 0.000 1.107 1318 M CB -0.164 32.118 32.600 -0.530 0.000 1.356 1318 M HN 0.773 nan 8.290 nan 0.000 0.406 1319 D N -0.956 119.317 120.400 -0.212 0.000 2.474 1319 D HA 0.077 4.758 4.640 0.067 0.000 0.213 1319 D C 0.247 176.514 176.300 -0.054 0.000 1.120 1319 D CA 0.108 54.043 54.000 -0.109 0.000 0.836 1319 D CB 0.554 41.309 40.800 -0.076 0.000 1.019 1319 D HN 0.543 nan 8.370 nan 0.000 0.507 1320 Q N 0.471 120.259 119.800 -0.021 0.000 2.738 1320 Q HA 0.471 4.851 4.340 0.067 0.000 0.301 1320 Q C -1.733 174.345 176.000 0.131 0.000 0.901 1320 Q CA -1.026 54.779 55.803 0.002 0.000 0.756 1320 Q CB 1.741 30.434 28.738 -0.075 0.000 1.463 1320 Q HN -0.001 nan 8.270 nan 0.000 0.432 1321 F N -1.320 118.603 119.950 -0.045 0.000 2.678 1321 F HA 0.727 5.291 4.527 0.062 0.000 0.308 1321 F C -1.491 174.283 175.800 -0.043 0.000 1.118 1321 F CA -0.969 57.010 58.000 -0.034 0.000 0.959 1321 F CB 1.107 40.116 39.000 0.015 0.000 1.305 1321 F HN 0.562 nan 8.300 nan 0.000 0.443 1322 V N 1.785 121.732 119.914 0.056 0.000 2.966 1322 V HA 0.937 5.098 4.120 0.067 0.000 0.317 1322 V C -1.513 174.583 176.094 0.003 0.000 1.070 1322 V CA -0.696 61.561 62.300 -0.072 0.000 1.008 1322 V CB 1.712 33.489 31.823 -0.076 0.000 1.070 1322 V HN 0.951 nan 8.190 nan 0.000 0.457 1323 V N 2.229 122.102 119.914 -0.069 0.000 2.876 1323 V HA 0.471 4.632 4.120 0.067 0.000 0.312 1323 V C -1.111 174.942 176.094 -0.069 0.000 1.085 1323 V CA -0.506 61.767 62.300 -0.044 0.000 0.945 1323 V CB 1.972 33.792 31.823 -0.004 0.000 1.017 1323 V HN 1.076 nan 8.190 nan 0.000 0.428 1324 D N 3.432 123.787 120.400 -0.074 0.000 2.428 1324 D HA 0.304 4.984 4.640 0.067 0.000 0.221 1324 D C 0.704 177.022 176.300 0.031 0.000 1.123 1324 D CA -0.113 53.882 54.000 -0.009 0.000 0.869 1324 D CB 1.428 42.249 40.800 0.035 0.000 1.032 1324 D HN 0.438 nan 8.370 nan 0.000 0.506 1325 L N 3.082 124.335 121.223 0.049 0.000 2.552 1325 L HA 0.119 4.499 4.340 0.067 0.000 0.227 1325 L C 1.896 178.823 176.870 0.095 0.000 1.146 1325 L CA 0.457 55.333 54.840 0.060 0.000 0.858 1325 L CB -0.463 41.626 42.059 0.049 0.000 0.969 1325 L HN 0.654 nan 8.230 nan 0.000 0.451 1326 G N 0.737 109.598 108.800 0.103 0.000 2.629 1326 G HA2 -0.462 3.538 3.960 0.067 0.000 0.313 1326 G HA3 -0.462 3.538 3.960 0.067 0.000 0.313 1326 G C 0.738 175.733 174.900 0.159 0.000 1.217 1326 G CA 0.814 45.970 45.100 0.093 0.000 0.994 1326 G HN 0.321 nan 8.290 nan 0.000 0.549 1327 E N 1.086 121.365 120.200 0.132 0.000 2.299 1327 E HA 0.127 4.518 4.350 0.067 0.000 0.193 1327 E C 0.819 177.534 176.600 0.192 0.000 0.998 1327 E CA 0.522 57.026 56.400 0.173 0.000 0.851 1327 E CB -0.005 29.747 29.700 0.087 0.000 0.795 1327 E HN 0.506 nan 8.360 nan 0.000 0.492 1328 D N 0.372 120.838 120.400 0.110 0.000 2.400 1328 D HA -0.015 4.666 4.640 0.067 0.000 0.238 1328 D C -0.251 176.001 176.300 -0.079 0.000 1.157 1328 D CA 0.391 54.404 54.000 0.023 0.000 0.889 1328 D CB 0.920 41.729 40.800 0.014 0.000 1.199 1328 D HN 0.007 nan 8.370 nan 0.000 0.436 1329 L N 0.686 121.827 121.223 -0.137 0.000 2.333 1329 L HA 0.707 5.088 4.340 0.067 0.000 0.269 1329 L C 0.074 176.857 176.870 -0.145 0.000 1.010 1329 L CA -0.566 54.127 54.840 -0.245 0.000 0.818 1329 L CB 1.312 43.234 42.059 -0.228 0.000 1.306 1329 L HN 0.587 nan 8.230 nan 0.000 0.430 1330 A N 2.348 125.078 122.820 -0.150 0.000 2.536 1330 A HA 0.779 5.140 4.320 0.067 0.000 0.293 1330 A C -1.450 176.082 177.584 -0.087 0.000 1.119 1330 A CA -0.483 51.498 52.037 -0.092 0.000 0.654 1330 A CB 1.913 20.870 19.000 -0.072 0.000 1.291 1330 A HN 0.710 nan 8.150 nan 0.000 0.439 1331 E N 0.002 120.165 120.200 -0.063 0.000 2.408 1331 E HA 0.704 5.094 4.350 0.067 0.000 0.275 1331 E C -0.153 176.419 176.600 -0.046 0.000 0.935 1331 E CA -0.704 55.664 56.400 -0.053 0.000 0.775 1331 E CB 1.914 31.587 29.700 -0.045 0.000 1.277 1331 E HN 1.526 nan 8.360 nan 0.000 0.455 1332 A N 0.676 123.471 122.820 -0.042 0.000 2.565 1332 A HA 0.404 4.764 4.320 0.067 0.000 0.237 1332 A C 1.314 178.879 177.584 -0.033 0.000 1.053 1332 A CA 1.052 53.065 52.037 -0.040 0.000 0.755 1332 A CB -0.909 18.070 19.000 -0.035 0.000 0.980 1332 A HN 1.521 nan 8.150 nan 0.000 0.506 1333 G N 1.779 110.560 108.800 -0.032 0.000 2.217 1333 G HA2 -0.200 3.800 3.960 0.067 0.000 0.246 1333 G HA3 -0.200 3.800 3.960 0.067 0.000 0.246 1333 G C 0.029 174.918 174.900 -0.019 0.000 0.990 1333 G CA 0.357 45.444 45.100 -0.021 0.000 0.627 1333 G HN 0.866 nan 8.290 nan 0.000 0.522 1334 D N 1.153 121.537 120.400 -0.027 0.000 2.414 1334 D HA 0.416 5.096 4.640 0.067 0.000 0.242 1334 D C 0.733 177.019 176.300 -0.024 0.000 1.129 1334 D CA 0.107 54.092 54.000 -0.025 0.000 0.885 1334 D CB 0.852 41.632 40.800 -0.033 0.000 1.198 1334 D HN 0.573 nan 8.370 nan 0.000 0.437 1335 E N 0.300 120.492 120.200 -0.014 0.000 2.373 1335 E HA 0.391 4.782 4.350 0.067 0.000 0.267 1335 E C -1.346 175.238 176.600 -0.027 0.000 1.032 1335 E CA -0.641 55.751 56.400 -0.015 0.000 0.889 1335 E CB 0.583 30.282 29.700 -0.000 0.000 0.984 1335 E HN 0.382 nan 8.360 nan 0.000 0.425 1336 A N 4.217 127.012 122.820 -0.041 0.000 2.335 1336 A HA 0.415 4.775 4.320 0.067 0.000 0.304 1336 A C -1.174 176.388 177.584 -0.036 0.000 1.118 1336 A CA -0.747 51.270 52.037 -0.034 0.000 0.757 1336 A CB 1.470 20.438 19.000 -0.053 0.000 1.188 1336 A HN 0.419 nan 8.150 nan 0.000 0.460 1337 V N 5.328 125.238 119.914 -0.005 0.000 2.318 1337 V HA 0.157 4.317 4.120 0.067 0.000 0.271 1337 V C 1.113 177.240 176.094 0.054 0.000 1.030 1337 V CA -0.043 62.252 62.300 -0.009 0.000 0.844 1337 V CB 0.411 32.234 31.823 0.001 0.000 1.015 1337 V HN 0.917 nan 8.190 nan 0.000 0.460 1338 I N 4.892 125.480 120.570 0.030 0.000 2.286 1338 I HA -0.006 4.205 4.170 0.067 0.000 0.245 1338 I C 0.399 176.600 176.117 0.141 0.000 1.104 1338 I CA 1.343 62.707 61.300 0.107 0.000 1.397 1338 I CB 0.050 38.002 38.000 -0.079 0.000 1.072 1338 I HN 0.553 nan 8.210 nan 0.000 0.417 1339 L N -2.194 119.033 121.223 0.007 0.000 2.612 1339 L HA 0.904 5.284 4.340 0.067 0.000 0.256 1339 L C -0.685 176.184 176.870 -0.000 0.000 0.949 1339 L CA -0.368 54.497 54.840 0.043 0.000 0.867 1339 L CB 1.443 43.476 42.059 -0.042 0.000 1.417 1339 L HN -0.002 nan 8.230 nan 0.000 0.414 1340 G N 0.123 108.944 108.800 0.035 0.000 2.947 1340 G HA2 0.258 4.258 3.960 0.067 0.000 0.115 1340 G HA3 0.258 4.258 3.960 0.067 0.000 0.115 1340 G C -1.764 173.160 174.900 0.040 0.000 1.214 1340 G CA 0.032 45.144 45.100 0.020 0.000 1.324 1340 G HN 0.725 nan 8.290 nan 0.000 0.645 1341 D N 0.850 121.271 120.400 0.036 0.000 2.193 1341 D HA 0.632 5.312 4.640 0.067 0.000 0.244 1341 D C 1.189 177.511 176.300 0.037 0.000 1.064 1341 D CA 0.196 54.219 54.000 0.038 0.000 0.845 1341 D CB 1.829 42.649 40.800 0.033 0.000 1.148 1341 D HN 0.451 nan 8.370 nan 0.000 0.464 1342 A N 3.549 126.392 122.820 0.038 0.000 2.066 1342 A HA -0.101 4.259 4.320 0.067 0.000 0.218 1342 A C 1.731 179.332 177.584 0.027 0.000 1.157 1342 A CA 0.977 53.035 52.037 0.034 0.000 0.670 1342 A CB -0.133 18.887 19.000 0.033 0.000 0.804 1342 A HN 0.565 nan 8.150 nan 0.000 0.453 1343 E N -0.077 120.138 120.200 0.026 0.000 2.347 1343 E HA -0.011 4.379 4.350 0.067 0.000 0.196 1343 E C 1.596 178.209 176.600 0.022 0.000 1.008 1343 E CA 0.694 57.107 56.400 0.022 0.000 0.852 1343 E CB -0.046 29.668 29.700 0.022 0.000 0.783 1343 E HN 0.559 nan 8.360 nan 0.000 0.505 1344 R N -1.344 119.170 120.500 0.023 0.000 2.507 1344 R HA 0.245 4.625 4.340 0.067 0.000 0.298 1344 R C 0.512 176.825 176.300 0.022 0.000 0.999 1344 R CA 0.439 56.552 56.100 0.022 0.000 1.082 1344 R CB 0.763 31.076 30.300 0.023 0.000 1.246 1344 R HN 0.138 nan 8.270 nan 0.000 0.553 1345 G N 1.862 110.676 108.800 0.023 0.000 2.246 1345 G HA2 -0.305 3.695 3.960 0.067 0.000 0.273 1345 G HA3 -0.305 3.695 3.960 0.067 0.000 0.273 1345 G C -0.292 174.624 174.900 0.027 0.000 1.055 1345 G CA 0.385 45.499 45.100 0.022 0.000 0.851 1345 G HN 0.410 nan 8.290 nan 0.000 0.500 1346 E N -0.188 120.033 120.200 0.034 0.000 2.316 1346 E HA 0.591 4.981 4.350 0.067 0.000 0.258 1346 E C -2.471 174.167 176.600 0.062 0.000 0.952 1346 E CA -2.323 54.104 56.400 0.046 0.000 0.818 1346 E CB 1.569 31.295 29.700 0.042 0.000 1.260 1346 E HN 0.151 nan 8.360 nan 0.000 0.416 1347 P HA 0.061 nan 4.420 nan 0.000 0.274 1347 P C -0.729 176.662 177.300 0.151 0.000 1.237 1347 P CA -0.252 62.926 63.100 0.131 0.000 0.793 1347 P CB 0.646 32.483 31.700 0.228 0.000 0.977 1348 T N -3.240 111.412 114.554 0.163 0.000 2.888 1348 T HA 0.625 5.016 4.350 0.067 0.000 0.288 1348 T C 1.126 175.949 174.700 0.205 0.000 1.063 1348 T CA -0.317 61.871 62.100 0.146 0.000 1.010 1348 T CB 1.216 70.140 68.868 0.093 0.000 1.214 1348 T HN 0.213 nan 8.240 nan 0.000 0.533 1349 A N 0.177 123.083 122.820 0.142 0.000 1.940 1349 A HA -0.067 4.293 4.320 0.067 0.000 0.219 1349 A C 2.162 179.841 177.584 0.159 0.000 1.176 1349 A CA 2.200 54.321 52.037 0.139 0.000 0.631 1349 A CB -1.159 17.895 19.000 0.090 0.000 0.814 1349 A HN 0.942 nan 8.150 nan 0.000 0.446 1350 E N 0.520 120.792 120.200 0.120 0.000 2.107 1350 E HA -0.142 4.248 4.350 0.067 0.000 0.191 1350 E C 1.362 178.017 176.600 0.092 0.000 0.982 1350 E CA 1.416 57.876 56.400 0.099 0.000 0.809 1350 E CB -0.266 29.477 29.700 0.070 0.000 0.756 1350 E HN 0.535 nan 8.360 nan 0.000 0.459 1351 D N -0.624 119.830 120.400 0.090 0.000 2.123 1351 D HA -0.169 4.511 4.640 0.067 0.000 0.196 1351 D C 1.548 177.822 176.300 -0.043 0.000 0.992 1351 D CA 0.992 54.996 54.000 0.007 0.000 0.833 1351 D CB -0.464 40.326 40.800 -0.015 0.000 0.954 1351 D HN 0.342 nan 8.370 nan 0.000 0.455 1352 W N 1.502 122.791 121.300 -0.019 0.000 2.418 1352 W HA 0.047 4.745 4.660 0.063 0.000 0.292 1352 W C 2.597 179.097 176.519 -0.033 0.000 1.213 1352 W CA 1.078 58.400 57.345 -0.038 0.000 1.283 1352 W CB -0.407 29.030 29.460 -0.039 0.000 1.119 1352 W HN -0.069 nan 8.180 nan 0.000 0.542 1353 A N 0.073 123.013 122.820 0.199 0.000 1.908 1353 A HA -0.274 4.086 4.320 0.067 0.000 0.218 1353 A C 1.943 179.574 177.584 0.078 0.000 1.181 1353 A CA 1.808 53.926 52.037 0.136 0.000 0.627 1353 A CB -0.773 18.306 19.000 0.131 0.000 0.818 1353 A HN 0.386 nan 8.150 nan 0.000 0.445 1354 Q N -0.705 119.121 119.800 0.044 0.000 2.119 1354 Q HA -0.087 4.293 4.340 0.067 0.000 0.201 1354 Q C 2.367 178.326 176.000 -0.067 0.000 0.972 1354 Q CA 1.358 57.174 55.803 0.022 0.000 0.847 1354 Q CB -0.430 28.311 28.738 0.006 0.000 0.903 1354 Q HN 0.676 nan 8.270 nan 0.000 0.433 1355 A N 1.134 123.860 122.820 -0.158 0.000 1.969 1355 A HA 0.060 4.420 4.320 0.067 0.000 0.218 1355 A C 2.030 179.408 177.584 -0.343 0.000 1.169 1355 A CA 1.433 53.294 52.037 -0.293 0.000 0.635 1355 A CB -0.209 18.515 19.000 -0.460 0.000 0.810 1355 A HN 0.327 nan 8.150 nan 0.000 0.445 1356 A N -1.925 120.782 122.820 -0.189 0.000 2.423 1356 A HA 0.382 4.742 4.320 0.067 0.000 0.246 1356 A C 0.361 177.889 177.584 -0.094 0.000 1.278 1356 A CA -0.001 51.947 52.037 -0.149 0.000 0.903 1356 A CB -0.356 18.664 19.000 0.034 0.000 0.997 1356 A HN 0.512 nan 8.150 nan 0.000 0.510 1357 H N -0.045 119.034 119.070 0.015 0.000 2.677 1357 H HA -0.130 4.467 4.556 0.068 0.000 0.321 1357 H C 0.374 175.719 175.328 0.028 0.000 1.171 1357 H CA 1.395 57.452 56.048 0.015 0.000 1.139 1357 H CB -1.945 27.818 29.762 0.003 0.000 1.515 1357 H HN 0.556 nan 8.280 nan 0.000 0.423 1358 T N -1.465 113.173 114.554 0.140 0.000 2.598 1358 T HA 0.702 5.092 4.350 0.067 0.000 0.289 1358 T C -0.270 174.501 174.700 0.119 0.000 1.056 1358 T CA -0.256 61.911 62.100 0.112 0.000 1.088 1358 T CB 1.545 70.471 68.868 0.095 0.000 1.519 1358 T HN 0.356 nan 8.240 nan 0.000 0.488 1359 I N 0.077 120.727 120.570 0.132 0.000 2.648 1359 I HA 0.793 5.003 4.170 0.067 0.000 0.304 1359 I C 1.419 177.656 176.117 0.200 0.000 1.009 1359 I CA -1.110 60.297 61.300 0.178 0.000 1.114 1359 I CB 1.685 39.820 38.000 0.224 0.000 1.293 1359 I HN 0.686 nan 8.210 nan 0.000 0.449 1360 A N 3.521 126.455 122.820 0.189 0.000 1.986 1360 A HA -0.191 4.169 4.320 0.067 0.000 0.220 1360 A C 1.893 179.563 177.584 0.143 0.000 1.171 1360 A CA 1.580 53.697 52.037 0.133 0.000 0.640 1360 A CB -1.128 17.912 19.000 0.067 0.000 0.811 1360 A HN 0.892 nan 8.150 nan 0.000 0.451 1361 Y N -0.495 119.874 120.300 0.115 0.000 2.114 1361 Y HA -0.246 4.352 4.550 0.081 0.000 0.282 1361 Y C 2.567 178.494 175.900 0.044 0.000 1.165 1361 Y CA 2.011 60.178 58.100 0.112 0.000 1.148 1361 Y CB -0.233 38.280 38.460 0.088 0.000 0.972 1361 Y HN 0.427 nan 8.280 nan 0.000 0.504 1362 E N -0.035 120.288 120.200 0.206 0.000 2.106 1362 E HA -0.187 4.203 4.350 0.067 0.000 0.192 1362 E C 2.039 178.674 176.600 0.059 0.000 0.984 1362 E CA 1.017 57.475 56.400 0.097 0.000 0.806 1362 E CB -0.043 29.705 29.700 0.079 0.000 0.750 1362 E HN 0.311 nan 8.360 nan 0.000 0.458 1363 I N 1.069 121.683 120.570 0.073 0.000 2.052 1363 I HA -0.274 3.936 4.170 0.067 0.000 0.235 1363 I C 2.800 178.905 176.117 -0.020 0.000 1.046 1363 I CA 1.348 62.664 61.300 0.027 0.000 1.308 1363 I CB -1.780 36.256 38.000 0.060 0.000 1.031 1363 I HN 0.159 nan 8.210 nan 0.000 0.395 1364 V N -1.183 118.737 119.914 0.010 0.000 2.343 1364 V HA -0.219 3.942 4.120 0.067 0.000 0.247 1364 V C 2.361 178.436 176.094 -0.032 0.000 1.051 1364 V CA 2.324 64.613 62.300 -0.019 0.000 1.036 1364 V CB -1.867 30.013 31.823 0.095 0.000 0.654 1364 V HN 0.357 nan 8.190 nan 0.000 0.451 1365 T N 0.042 114.601 114.554 0.009 0.000 2.867 1365 T HA -0.040 4.350 4.350 0.067 0.000 0.268 1365 T C 1.811 176.485 174.700 -0.043 0.000 1.057 1365 T CA 1.386 63.471 62.100 -0.026 0.000 1.136 1365 T CB -0.305 68.520 68.868 -0.071 0.000 0.874 1365 T HN 0.448 nan 8.240 nan 0.000 0.466 1366 R N 0.780 121.257 120.500 -0.038 0.000 2.356 1366 R HA 0.194 4.574 4.340 0.067 0.000 0.234 1366 R C -0.041 176.226 176.300 -0.055 0.000 0.929 1366 R CA -0.093 55.983 56.100 -0.039 0.000 1.084 1366 R CB -0.058 30.228 30.300 -0.023 0.000 1.105 1366 R HN 0.331 nan 8.270 nan 0.000 0.515 1367 I N 2.064 122.584 120.570 -0.083 0.000 2.671 1367 I HA -0.031 4.180 4.170 0.067 0.000 0.285 1367 I C 1.409 177.481 176.117 -0.076 0.000 1.148 1367 I CA 0.174 61.411 61.300 -0.105 0.000 1.386 1367 I CB -0.416 37.494 38.000 -0.151 0.000 1.406 1367 I HN 0.088 nan 8.210 nan 0.000 0.540 1368 G N 4.834 113.599 108.800 -0.059 0.000 2.670 1368 G HA2 0.136 4.136 3.960 0.067 0.000 0.233 1368 G HA3 0.136 4.136 3.960 0.067 0.000 0.233 1368 G C 1.101 175.979 174.900 -0.037 0.000 1.251 1368 G CA 0.040 45.118 45.100 -0.037 0.000 0.849 1368 G HN 0.873 nan 8.290 nan 0.000 0.588 1369 G N -0.199 108.587 108.800 -0.023 0.000 2.534 1369 G HA2 -0.126 3.874 3.960 0.067 0.000 0.217 1369 G HA3 -0.126 3.874 3.960 0.067 0.000 0.217 1369 G C 1.623 176.513 174.900 -0.016 0.000 1.128 1369 G CA 0.499 45.588 45.100 -0.018 0.000 0.784 1369 G HN 0.603 nan 8.290 nan 0.000 0.542 1370 R N -0.227 120.262 120.500 -0.018 0.000 2.280 1370 R HA 0.071 4.451 4.340 0.067 0.000 0.207 1370 R C 0.059 176.348 176.300 -0.018 0.000 1.043 1370 R CA 0.109 56.200 56.100 -0.016 0.000 1.006 1370 R CB 0.006 30.295 30.300 -0.018 0.000 0.885 1370 R HN 0.185 nan 8.270 nan 0.000 0.467 1371 V N 4.024 123.922 119.914 -0.026 0.000 2.385 1371 V HA 0.258 4.418 4.120 0.067 0.000 0.269 1371 V C -2.022 174.062 176.094 -0.017 0.000 1.043 1371 V CA -1.868 60.416 62.300 -0.026 0.000 0.906 1371 V CB 1.151 32.939 31.823 -0.057 0.000 0.995 1371 V HN 0.166 nan 8.190 nan 0.000 0.467 1372 P HA 0.408 nan 4.420 nan 0.000 0.275 1372 P C -0.763 176.534 177.300 -0.005 0.000 1.228 1372 P CA -0.670 62.433 63.100 0.006 0.000 0.786 1372 P CB 1.145 32.851 31.700 0.009 0.000 0.927 1373 R N 1.036 121.505 120.500 -0.052 0.000 2.460 1373 R HA 0.582 4.962 4.340 0.067 0.000 0.303 1373 R C -0.786 175.368 176.300 -0.244 0.000 0.968 1373 R CA -0.790 55.200 56.100 -0.183 0.000 0.889 1373 R CB 1.408 31.545 30.300 -0.271 0.000 1.123 1373 R HN 0.218 nan 8.270 nan 0.000 0.455 1374 V N 4.601 124.333 119.914 -0.302 0.000 2.444 1374 V HA 0.394 4.554 4.120 0.067 0.000 0.294 1374 V C -1.021 174.844 176.094 -0.382 0.000 1.022 1374 V CA -0.809 61.352 62.300 -0.231 0.000 0.850 1374 V CB 1.101 32.845 31.823 -0.131 0.000 0.992 1374 V HN 0.619 nan 8.190 nan 0.000 0.426 1375 Y N 5.580 125.800 120.300 -0.134 0.000 2.352 1375 Y HA 0.807 5.398 4.550 0.069 0.000 0.326 1375 Y C 0.227 175.949 175.900 -0.296 0.000 1.166 1375 Y CA -0.804 57.122 58.100 -0.289 0.000 1.182 1375 Y CB 1.520 39.629 38.460 -0.585 0.000 1.216 1375 Y HN 0.562 nan 8.280 nan 0.000 0.474 1376 L N 0.120 121.332 121.223 -0.019 0.000 2.465 1376 L HA 1.052 5.432 4.340 0.067 0.000 0.257 1376 L C 0.027 176.988 176.870 0.151 0.000 0.988 1376 L CA -1.061 53.845 54.840 0.110 0.000 0.827 1376 L CB 1.909 44.025 42.059 0.094 0.000 1.397 1376 L HN 0.804 nan 8.230 nan 0.000 0.410 1377 G N -0.119 108.805 108.800 0.206 0.000 2.725 1377 G HA2 0.372 4.372 3.960 0.067 0.000 0.220 1377 G HA3 0.372 4.372 3.960 0.067 0.000 0.220 1377 G C 0.292 175.321 174.900 0.215 0.000 1.357 1377 G CA -0.181 45.020 45.100 0.168 0.000 0.866 1377 G HN 2.484 nan 8.290 nan 0.000 0.548 1378 G N -1.652 107.231 108.800 0.138 0.000 2.598 1378 G HA2 0.110 4.110 3.960 0.067 0.000 0.269 1378 G HA3 0.110 4.110 3.960 0.067 0.000 0.269 1378 G C 0.253 175.095 174.900 -0.097 0.000 1.289 1378 G CA 0.464 45.616 45.100 0.087 0.000 0.926 1378 G HN 1.661 nan 8.290 nan 0.000 0.567 1379 L N 0.132 121.035 121.223 -0.534 0.000 2.344 1379 L HA 0.445 4.825 4.340 0.067 0.000 0.272 1379 L C 1.749 178.434 176.870 -0.309 0.000 1.035 1379 L CA -0.367 54.225 54.840 -0.413 0.000 0.807 1379 L CB 1.546 43.365 42.059 -0.400 0.000 1.237 1379 L HN 0.947 nan 8.230 nan 0.000 0.442 1380 E N 0.847 120.906 120.200 -0.235 0.000 2.086 1380 E HA -0.316 4.074 4.350 0.067 0.000 0.200 1380 E C 1.750 178.226 176.600 -0.206 0.000 1.012 1380 E CA 2.369 58.560 56.400 -0.348 0.000 0.812 1380 E CB -0.045 29.538 29.700 -0.194 0.000 0.743 1380 E HN 0.844 nan 8.360 nan 0.000 0.453 1381 H N -2.300 116.605 119.070 -0.276 0.000 2.543 1381 H HA -0.078 4.520 4.556 0.070 0.000 0.286 1381 H C 1.581 176.875 175.328 -0.056 0.000 1.037 1381 H CA 1.295 57.130 56.048 -0.355 0.000 1.250 1381 H CB -0.169 29.450 29.762 -0.238 0.000 1.373 1381 H HN 0.236 nan 8.280 nan 0.000 0.580 1382 H N 0.686 119.513 119.070 -0.405 0.000 2.462 1382 H HA -0.035 4.558 4.556 0.061 0.000 0.292 1382 H C 1.160 176.436 175.328 -0.088 0.000 1.049 1382 H CA 1.230 57.103 56.048 -0.290 0.000 1.334 1382 H CB -0.366 29.319 29.762 -0.128 0.000 1.404 1382 H HN 0.759 nan 8.280 nan 0.000 0.544 1383 H N -0.119 118.965 119.070 0.024 0.000 2.562 1383 H HA 0.009 4.610 4.556 0.075 0.000 0.274 1383 H C -0.014 175.411 175.328 0.161 0.000 1.038 1383 H CA -0.210 55.854 56.048 0.026 0.000 1.161 1383 H CB 0.200 30.073 29.762 0.185 0.000 1.318 1383 H HN 0.366 nan 8.280 nan 0.000 0.617 1384 H N 0.000 119.042 119.070 -0.047 0.000 2.539 1384 H HA 0.000 4.595 4.556 0.064 0.000 0.296 1384 H CA 0.000 56.029 56.048 -0.032 0.000 1.023 1384 H CB 0.000 29.768 29.762 0.011 0.000 1.292 1384 H HN 0.000 nan 8.280 nan 0.000 0.496