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 3nyf_1_A DATA FIRST_RESID 995 DATA SEQUENCE HHHHHHPIEA DYLVIGAGIA GASTGYWLSA HGRVVVLERE AQPGYHSTGR DATA SEQUENCE SAAHYTVAYG TPQVRALTAA SRAFFDNPPA GFCEHPLLSP RPEMVVDFSD DATA SEQUENCE DPEELRRQYE SGKALVPQMR LLDAEQACSI VPVLRRDKVF GATYDPTGAD DATA SEQUENCE IDTDALHQGY LRGIRRNQGQ VLCNHEALEI RRVDGAWEVR CDAGSYRAAV DATA SEQUENCE LVNAAGAWCD AIAGLAGVRP LGLQPKRRSA FIFAPPPGID CHDWPMLVSL DATA SEQUENCE DESFYLKPDA GMLLGSPANA DPVEAHDVQP EQLDIATGMY LIEEATTLTI DATA SEQUENCE RRPEHTWAGL RSFVADGDLV AGYAANAEGF FWVAAQGGYG IQTSAAMGEA DATA SEQUENCE SAALIRHQPL PAHLREHGLD EAMLSPRRLS P 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 995 H HA 0.000 nan 4.556 nan 0.000 0.296 995 H C 0.000 175.160 175.328 -0.280 0.000 0.993 995 H CA 0.000 55.919 56.048 -0.215 0.000 1.023 995 H CB 0.000 29.598 29.762 -0.273 0.000 1.292 996 H N 1.493 120.517 119.070 -0.077 0.000 2.479 996 H HA 0.221 4.767 4.556 -0.017 0.000 0.335 996 H C -0.355 174.987 175.328 0.024 0.000 1.142 996 H CA -0.548 55.489 56.048 -0.020 0.000 1.234 996 H CB 1.628 31.341 29.762 -0.081 0.000 1.503 996 H HN 0.331 nan 8.280 nan 0.000 0.510 997 H N 1.763 120.882 119.070 0.081 0.000 3.001 997 H HA 0.069 4.614 4.556 -0.017 0.000 0.334 997 H C -0.361 174.975 175.328 0.013 0.000 1.034 997 H CA 0.331 56.350 56.048 -0.049 0.000 1.420 997 H CB 0.103 29.842 29.762 -0.039 0.000 1.405 997 H HN 0.752 nan 8.280 nan 0.000 0.593 998 H N 1.538 120.140 119.070 -0.781 0.000 2.895 998 H HA 0.291 4.837 4.556 -0.017 0.000 0.373 998 H C -0.564 174.310 175.328 -0.756 0.000 1.174 998 H CA -1.118 54.590 56.048 -0.567 0.000 1.144 998 H CB 0.431 30.062 29.762 -0.219 0.000 1.793 998 H HN 0.687 nan 8.280 nan 0.000 0.551 999 H N 1.709 120.632 119.070 -0.245 0.000 2.852 999 H HA 0.011 4.556 4.556 -0.017 0.000 0.362 999 H C -0.083 175.212 175.328 -0.055 0.000 1.122 999 H CA 0.088 56.050 56.048 -0.144 0.000 1.419 999 H CB 0.603 30.352 29.762 -0.021 0.000 1.401 999 H HN 0.674 nan 8.280 nan 0.000 0.609 1000 H N 3.088 122.069 119.070 -0.149 0.000 3.016 1000 H HA -0.000 4.545 4.556 -0.018 0.000 0.345 1000 H C -1.789 173.616 175.328 0.128 0.000 1.066 1000 H CA -1.291 54.756 56.048 -0.002 0.000 1.390 1000 H CB -0.216 29.490 29.762 -0.094 0.000 1.344 1000 H HN 0.469 nan 8.280 nan 0.000 0.605 1001 P HA 0.035 nan 4.420 nan 0.000 0.269 1001 P C 0.008 177.311 177.300 0.004 0.000 1.209 1001 P CA -0.050 63.059 63.100 0.015 0.000 0.776 1001 P CB 0.772 32.476 31.700 0.007 0.000 0.876 1002 I N 2.588 123.075 120.570 -0.138 0.000 2.321 1002 I HA 0.230 4.390 4.170 -0.017 0.000 0.291 1002 I C 0.869 177.000 176.117 0.022 0.000 0.998 1002 I CA -0.540 60.721 61.300 -0.065 0.000 1.227 1002 I CB 0.582 38.495 38.000 -0.145 0.000 1.368 1002 I HN 0.244 nan 8.210 nan 0.000 0.466 1003 E N 4.957 125.182 120.200 0.042 0.000 2.249 1003 E HA 0.718 5.058 4.350 -0.017 0.000 0.280 1003 E C -0.470 176.157 176.600 0.046 0.000 1.016 1003 E CA -0.348 56.078 56.400 0.044 0.000 0.830 1003 E CB 2.542 32.254 29.700 0.020 0.000 1.081 1003 E HN 0.722 nan 8.360 nan 0.000 0.395 1004 A N 2.420 125.262 122.820 0.036 0.000 2.552 1004 A HA 0.426 4.736 4.320 -0.017 0.000 0.288 1004 A C -0.029 177.498 177.584 -0.095 0.000 1.193 1004 A CA -0.558 51.475 52.037 -0.007 0.000 0.713 1004 A CB 1.108 20.132 19.000 0.040 0.000 1.305 1004 A HN 0.482 nan 8.150 nan 0.000 0.424 1005 D N -1.282 118.959 120.400 -0.264 0.000 2.324 1005 D HA 0.163 4.793 4.640 -0.017 0.000 0.212 1005 D C -0.868 175.062 176.300 -0.617 0.000 0.984 1005 D CA 1.690 55.357 54.000 -0.556 0.000 0.885 1005 D CB 0.252 40.474 40.800 -0.964 0.000 0.996 1005 D HN 0.472 nan 8.370 nan 0.000 0.505 1006 Y N 0.225 120.553 120.300 0.046 0.000 2.361 1006 Y HA 0.433 4.973 4.550 -0.016 0.000 0.328 1006 Y C -0.458 175.444 175.900 0.004 0.000 1.044 1006 Y CA -0.837 57.275 58.100 0.020 0.000 1.085 1006 Y CB 1.273 39.720 38.460 -0.021 0.000 1.194 1006 Y HN -0.333 nan 8.280 nan 0.000 0.438 1007 L N 4.493 125.792 121.223 0.126 0.000 2.264 1007 L HA 0.611 4.941 4.340 -0.017 0.000 0.289 1007 L C -0.661 176.200 176.870 -0.016 0.000 1.044 1007 L CA -1.085 53.782 54.840 0.045 0.000 0.807 1007 L CB 1.219 43.306 42.059 0.047 0.000 1.192 1007 L HN 0.450 nan 8.230 nan 0.000 0.425 1008 V N 4.939 124.831 119.914 -0.038 0.000 2.370 1008 V HA 0.323 4.433 4.120 -0.017 0.000 0.283 1008 V C 0.264 176.308 176.094 -0.084 0.000 1.023 1008 V CA -0.533 61.726 62.300 -0.068 0.000 0.857 1008 V CB 1.762 33.559 31.823 -0.044 0.000 0.985 1008 V HN 0.417 nan 8.190 nan 0.000 0.443 1009 I N 4.604 125.112 120.570 -0.103 0.000 2.301 1009 I HA 0.676 4.836 4.170 -0.017 0.000 0.292 1009 I C 0.790 176.879 176.117 -0.046 0.000 1.046 1009 I CA 0.184 61.432 61.300 -0.085 0.000 1.282 1009 I CB 0.166 38.105 38.000 -0.103 0.000 1.409 1009 I HN 0.891 nan 8.210 nan 0.000 0.484 1010 G N 4.732 113.515 108.800 -0.028 0.000 3.067 1010 G HA2 0.173 4.123 3.960 -0.017 0.000 0.686 1010 G HA3 0.173 4.123 3.960 -0.017 0.000 0.686 1010 G C -0.205 174.718 174.900 0.038 0.000 1.119 1010 G CA -0.340 44.767 45.100 0.012 0.000 0.790 1010 G HN 0.940 nan 8.290 nan 0.000 0.605 1011 A N 1.545 124.410 122.820 0.075 0.000 2.574 1011 A HA 0.773 5.082 4.320 -0.017 0.000 0.283 1011 A C 1.528 179.276 177.584 0.274 0.000 1.270 1011 A CA 1.245 53.359 52.037 0.129 0.000 0.945 1011 A CB -0.116 18.934 19.000 0.083 0.000 1.127 1011 A HN 2.190 nan 8.150 nan 0.000 0.522 1012 G N -0.399 108.513 108.800 0.187 0.000 2.525 1012 G HA2 0.310 4.259 3.960 -0.017 0.000 0.276 1012 G HA3 0.310 4.259 3.960 -0.017 0.000 0.276 1012 G C 0.951 175.854 174.900 0.004 0.000 1.388 1012 G CA -0.009 45.150 45.100 0.097 0.000 1.050 1012 G HN 0.179 nan 8.290 nan 0.000 0.520 1013 I N 0.396 120.868 120.570 -0.164 0.000 2.361 1013 I HA -0.096 4.063 4.170 -0.017 0.000 0.251 1013 I C 2.867 178.997 176.117 0.022 0.000 1.133 1013 I CA 1.804 63.075 61.300 -0.048 0.000 1.413 1013 I CB -0.234 37.756 38.000 -0.016 0.000 1.073 1013 I HN 0.431 nan 8.210 nan 0.000 0.424 1014 A N -0.139 122.693 122.820 0.020 0.000 1.855 1014 A HA -0.027 4.282 4.320 -0.017 0.000 0.215 1014 A C 2.433 180.020 177.584 0.005 0.000 1.191 1014 A CA 1.530 53.576 52.037 0.015 0.000 0.613 1014 A CB -1.614 17.405 19.000 0.031 0.000 0.829 1014 A HN 0.438 nan 8.150 nan 0.000 0.442 1015 G N -0.701 108.116 108.800 0.030 0.000 2.408 1015 G HA2 0.069 4.019 3.960 -0.017 0.000 0.217 1015 G HA3 0.069 4.019 3.960 -0.017 0.000 0.217 1015 G C 1.704 176.624 174.900 0.033 0.000 1.150 1015 G CA 1.384 46.497 45.100 0.021 0.000 0.776 1015 G HN 0.769 nan 8.290 nan 0.000 0.542 1016 A N 1.345 124.218 122.820 0.088 0.000 1.898 1016 A HA -0.008 4.302 4.320 -0.017 0.000 0.216 1016 A C 2.762 180.323 177.584 -0.039 0.000 1.181 1016 A CA 2.521 54.638 52.037 0.132 0.000 0.620 1016 A CB -0.719 18.499 19.000 0.362 0.000 0.819 1016 A HN 0.668 nan 8.150 nan 0.000 0.442 1017 S N -0.938 114.580 115.700 -0.302 0.000 2.355 1017 S HA -0.138 4.322 4.470 -0.017 0.000 0.222 1017 S C 1.898 176.466 174.600 -0.053 0.000 1.031 1017 S CA 1.843 59.660 58.200 -0.639 0.000 0.993 1017 S CB -1.226 61.585 63.200 -0.648 0.000 0.859 1017 S HN 0.454 nan 8.310 nan 0.000 0.453 1018 T N 2.098 116.630 114.554 -0.038 0.000 2.708 1018 T HA 0.023 4.363 4.350 -0.017 0.000 0.266 1018 T C 2.051 176.748 174.700 -0.005 0.000 1.037 1018 T CA 1.529 63.617 62.100 -0.020 0.000 1.146 1018 T CB -1.241 67.575 68.868 -0.087 0.000 0.865 1018 T HN 0.638 nan 8.240 nan 0.000 0.435 1019 G N 0.050 108.847 108.800 -0.004 0.000 2.440 1019 G HA2 -0.273 3.677 3.960 -0.017 0.000 0.218 1019 G HA3 -0.273 3.677 3.960 -0.017 0.000 0.218 1019 G C 1.360 176.292 174.900 0.053 0.000 1.154 1019 G CA 0.965 46.070 45.100 0.009 0.000 0.767 1019 G HN 0.549 nan 8.290 nan 0.000 0.552 1020 Y N 0.095 120.374 120.300 -0.036 0.000 2.081 1020 Y HA -0.175 4.364 4.550 -0.018 0.000 0.280 1020 Y C 2.552 178.382 175.900 -0.118 0.000 1.163 1020 Y CA 1.837 59.892 58.100 -0.075 0.000 1.135 1020 Y CB -0.275 38.126 38.460 -0.098 0.000 0.970 1020 Y HN 0.258 nan 8.280 nan 0.000 0.498 1021 W N 0.055 121.293 121.300 -0.103 0.000 2.467 1021 W HA -0.108 4.543 4.660 -0.015 0.000 0.275 1021 W C 2.043 178.501 176.519 -0.102 0.000 1.239 1021 W CA 1.029 58.277 57.345 -0.161 0.000 1.266 1021 W CB -0.416 28.988 29.460 -0.092 0.000 1.112 1021 W HN 0.255 nan 8.180 nan 0.000 0.576 1022 L N 0.548 121.779 121.223 0.013 0.000 2.156 1022 L HA -0.185 4.144 4.340 -0.017 0.000 0.208 1022 L C 2.640 179.528 176.870 0.029 0.000 1.095 1022 L CA 1.545 56.320 54.840 -0.108 0.000 0.770 1022 L CB -0.791 40.993 42.059 -0.458 0.000 0.914 1022 L HN -0.118 nan 8.230 nan 0.000 0.439 1023 S N -0.024 115.656 115.700 -0.032 0.000 2.447 1023 S HA -0.110 4.350 4.470 -0.017 0.000 0.233 1023 S C 1.998 176.555 174.600 -0.072 0.000 1.006 1023 S CA 0.747 58.941 58.200 -0.010 0.000 0.957 1023 S CB -0.284 62.891 63.200 -0.042 0.000 0.773 1023 S HN 0.335 nan 8.310 nan 0.000 0.507 1024 A N 1.055 123.736 122.820 -0.232 0.000 2.168 1024 A HA 0.034 4.344 4.320 -0.017 0.000 0.215 1024 A C 1.802 179.128 177.584 -0.431 0.000 1.152 1024 A CA 0.841 52.645 52.037 -0.388 0.000 0.716 1024 A CB -0.566 18.076 19.000 -0.596 0.000 0.794 1024 A HN 0.731 nan 8.150 nan 0.000 0.465 1025 H N -1.526 117.583 119.070 0.064 0.000 2.750 1025 H HA 0.334 4.879 4.556 -0.018 0.000 0.263 1025 H C 0.972 176.405 175.328 0.174 0.000 0.964 1025 H CA 0.874 56.990 56.048 0.113 0.000 1.205 1025 H CB 0.760 30.593 29.762 0.117 0.000 1.454 1025 H HN 0.508 nan 8.280 nan 0.000 0.503 1026 G N 0.430 109.410 108.800 0.301 0.000 0.000 1026 G HA2 0.319 4.268 3.960 -0.017 0.000 0.000 1026 G HA3 0.319 4.268 3.960 -0.017 0.000 0.000 1026 G C -1.282 173.708 174.900 0.150 0.000 0.000 1026 G CA -1.146 44.063 45.100 0.182 0.000 0.000 1026 G HN -0.012 nan 8.290 nan 0.000 0.000 1027 R N -0.050 120.441 120.500 -0.015 0.000 2.288 1027 R HA 0.431 4.760 4.340 -0.017 0.000 0.330 1027 R C -0.356 175.984 176.300 0.067 0.000 1.069 1027 R CA -0.215 55.891 56.100 0.011 0.000 0.941 1027 R CB 1.066 31.347 30.300 -0.032 0.000 0.998 1027 R HN 0.199 nan 8.270 nan 0.000 0.452 1028 V N 4.696 124.702 119.914 0.154 0.000 2.439 1028 V HA 0.262 4.372 4.120 -0.017 0.000 0.282 1028 V C 0.008 176.149 176.094 0.077 0.000 1.039 1028 V CA -0.598 61.811 62.300 0.181 0.000 0.913 1028 V CB 1.837 33.754 31.823 0.156 0.000 0.983 1028 V HN 0.417 nan 8.190 nan 0.000 0.460 1029 V N 5.789 125.733 119.914 0.051 0.000 2.407 1029 V HA 0.406 4.515 4.120 -0.017 0.000 0.291 1029 V C -0.260 175.788 176.094 -0.077 0.000 1.018 1029 V CA -0.609 61.673 62.300 -0.031 0.000 0.842 1029 V CB 1.988 33.788 31.823 -0.039 0.000 0.996 1029 V HN 0.604 nan 8.190 nan 0.000 0.426 1030 V N 6.622 126.477 119.914 -0.100 0.000 2.407 1030 V HA 0.456 4.566 4.120 -0.017 0.000 0.278 1030 V C -0.114 175.874 176.094 -0.177 0.000 1.037 1030 V CA -0.443 61.797 62.300 -0.101 0.000 0.900 1030 V CB 1.435 33.228 31.823 -0.050 0.000 0.983 1030 V HN 0.631 nan 8.190 nan 0.000 0.459 1031 L N 4.539 125.660 121.223 -0.169 0.000 2.276 1031 L HA 0.631 4.961 4.340 -0.017 0.000 0.286 1031 L C -0.268 176.551 176.870 -0.084 0.000 1.024 1031 L CA -0.345 54.389 54.840 -0.176 0.000 0.826 1031 L CB 1.533 43.473 42.059 -0.200 0.000 1.211 1031 L HN 0.647 nan 8.230 nan 0.000 0.422 1032 E N 2.804 122.973 120.200 -0.052 0.000 2.199 1032 E HA 0.265 4.605 4.350 -0.017 0.000 0.265 1032 E C 0.567 177.160 176.600 -0.011 0.000 0.882 1032 E CA -0.603 55.783 56.400 -0.023 0.000 0.759 1032 E CB 1.636 31.332 29.700 -0.006 0.000 1.148 1032 E HN 0.432 nan 8.360 nan 0.000 0.412 1033 R N 3.047 123.520 120.500 -0.046 0.000 2.081 1033 R HA -0.037 4.293 4.340 -0.017 0.000 0.235 1033 R C 0.073 176.343 176.300 -0.049 0.000 1.131 1033 R CA 1.027 57.088 56.100 -0.066 0.000 0.960 1033 R CB 0.132 30.343 30.300 -0.149 0.000 0.856 1033 R HN 0.530 nan 8.270 nan 0.000 0.436 1034 E N -0.475 119.705 120.200 -0.035 0.000 2.351 1034 E HA 0.091 4.430 4.350 -0.017 0.000 0.255 1034 E C 0.599 177.164 176.600 -0.058 0.000 1.188 1034 E CA 0.423 56.784 56.400 -0.065 0.000 0.940 1034 E CB 0.768 30.434 29.700 -0.056 0.000 1.094 1034 E HN 0.338 nan 8.360 nan 0.000 0.474 1035 A N 0.783 123.542 122.820 -0.101 0.000 2.119 1035 A HA -0.085 4.224 4.320 -0.017 0.000 0.216 1035 A C 0.325 177.879 177.584 -0.050 0.000 1.152 1035 A CA 0.961 52.956 52.037 -0.070 0.000 0.708 1035 A CB 0.065 19.010 19.000 -0.091 0.000 0.805 1035 A HN 0.419 nan 8.150 nan 0.000 0.460 1036 Q N -1.527 118.247 119.800 -0.043 0.000 2.397 1036 Q HA 0.400 4.729 4.340 -0.017 0.000 0.275 1036 Q C -2.321 173.704 176.000 0.042 0.000 1.090 1036 Q CA -1.841 53.958 55.803 -0.006 0.000 0.809 1036 Q CB 2.010 30.752 28.738 0.007 0.000 1.362 1036 Q HN 0.021 nan 8.270 nan 0.000 0.431 1037 P HA 0.016 nan 4.420 nan 0.000 0.231 1037 P C 0.184 177.655 177.300 0.284 0.000 1.168 1037 P CA 0.704 63.880 63.100 0.126 0.000 0.779 1037 P CB 0.429 32.145 31.700 0.027 0.000 0.844 1038 G N -1.295 107.658 108.800 0.255 0.000 4.044 1038 G HA2 -0.023 3.927 3.960 -0.017 0.000 0.297 1038 G HA3 -0.023 3.927 3.960 -0.017 0.000 0.297 1038 G C 0.531 175.498 174.900 0.113 0.000 1.101 1038 G CA -0.162 45.085 45.100 0.246 0.000 0.884 1038 G HN 0.064 nan 8.290 nan 0.000 0.538 1039 Y N 0.573 120.846 120.300 -0.046 0.000 2.395 1039 Y HA 0.128 4.668 4.550 -0.017 0.000 0.293 1039 Y C 1.757 177.478 175.900 -0.298 0.000 1.123 1039 Y CA 0.825 58.801 58.100 -0.207 0.000 1.227 1039 Y CB 0.108 38.383 38.460 -0.309 0.000 1.012 1039 Y HN 0.295 nan 8.280 nan 0.000 0.552 1040 H N -1.736 117.349 119.070 0.025 0.000 3.505 1040 H HA 0.234 4.779 4.556 -0.018 0.000 0.129 1040 H C 1.919 177.250 175.328 0.005 0.000 1.572 1040 H CA 0.636 56.694 56.048 0.018 0.000 1.611 1040 H CB -0.248 29.649 29.762 0.226 0.000 0.783 1040 H HN -0.026 nan 8.280 nan 0.000 0.769 1041 S N 0.141 115.969 115.700 0.213 0.000 2.399 1041 S HA -0.111 4.348 4.470 -0.017 0.000 0.231 1041 S C 1.968 176.593 174.600 0.041 0.000 1.022 1041 S CA 1.566 59.827 58.200 0.103 0.000 0.983 1041 S CB -0.367 62.881 63.200 0.081 0.000 0.803 1041 S HN 0.473 nan 8.310 nan 0.000 0.480 1042 T N 1.187 115.751 114.554 0.017 0.000 2.929 1042 T HA -0.014 4.325 4.350 -0.017 0.000 0.271 1042 T C 1.676 176.341 174.700 -0.059 0.000 1.085 1042 T CA 1.186 63.249 62.100 -0.062 0.000 1.125 1042 T CB -0.302 68.445 68.868 -0.202 0.000 0.874 1042 T HN 0.537 nan 8.240 nan 0.000 0.494 1043 G N 0.479 109.246 108.800 -0.055 0.000 3.189 1043 G HA2 0.095 4.044 3.960 -0.017 0.000 0.225 1043 G HA3 0.095 4.044 3.960 -0.017 0.000 0.225 1043 G C 1.113 175.884 174.900 -0.215 0.000 1.159 1043 G CA -0.378 44.653 45.100 -0.114 0.000 0.763 1043 G HN 0.377 nan 8.290 nan 0.000 0.549 1044 R N 0.361 120.790 120.500 -0.119 0.000 2.600 1044 R HA 0.198 4.528 4.340 -0.017 0.000 0.392 1044 R C 0.746 177.187 176.300 0.234 0.000 1.032 1044 R CA -0.006 56.043 56.100 -0.084 0.000 1.139 1044 R CB 0.784 31.128 30.300 0.074 0.000 1.400 1044 R HN 0.300 nan 8.270 nan 0.000 0.566 1045 S N -0.518 115.258 115.700 0.126 0.000 2.681 1045 S HA 0.429 4.889 4.470 -0.017 0.000 0.270 1045 S C 1.106 175.853 174.600 0.246 0.000 1.209 1045 S CA -0.358 57.954 58.200 0.187 0.000 0.988 1045 S CB 1.790 65.047 63.200 0.096 0.000 1.006 1045 S HN 0.156 nan 8.310 nan 0.000 0.558 1046 A N 0.315 123.269 122.820 0.224 0.000 2.251 1046 A HA 0.603 4.913 4.320 -0.017 0.000 0.209 1046 A C 1.385 179.047 177.584 0.131 0.000 1.187 1046 A CA 0.424 52.585 52.037 0.207 0.000 0.823 1046 A CB -1.658 17.420 19.000 0.130 0.000 0.846 1046 A HN 2.288 nan 8.150 nan 0.000 0.486 1047 A N -0.279 122.602 122.820 0.102 0.000 2.687 1047 A HA -0.219 4.091 4.320 -0.017 0.000 0.299 1047 A C 0.210 177.852 177.584 0.097 0.000 1.497 1047 A CA 1.392 53.469 52.037 0.066 0.000 0.751 1047 A CB -2.601 16.422 19.000 0.039 0.000 1.048 1047 A HN 0.898 nan 8.150 nan 0.000 0.464 1048 H N -1.859 117.206 119.070 -0.009 0.000 2.747 1048 H HA 0.604 5.149 4.556 -0.018 0.000 0.371 1048 H C -1.327 174.034 175.328 0.054 0.000 1.161 1048 H CA -0.600 55.443 56.048 -0.008 0.000 1.167 1048 H CB 1.583 31.291 29.762 -0.090 0.000 1.732 1048 H HN 0.488 nan 8.280 nan 0.000 0.544 1049 Y N 2.822 122.771 120.300 -0.585 0.000 2.345 1049 Y HA 0.289 4.827 4.550 -0.021 0.000 0.331 1049 Y C -1.038 174.675 175.900 -0.311 0.000 0.959 1049 Y CA -0.397 57.518 58.100 -0.307 0.000 1.204 1049 Y CB 1.046 39.380 38.460 -0.210 0.000 1.135 1049 Y HN 0.537 nan 8.280 nan 0.000 0.477 1050 T N 2.993 117.340 114.554 -0.346 0.000 2.937 1050 T HA 0.292 4.631 4.350 -0.017 0.000 0.297 1050 T C 0.307 174.847 174.700 -0.266 0.000 0.991 1050 T CA -0.726 61.265 62.100 -0.181 0.000 0.990 1050 T CB 1.321 70.172 68.868 -0.028 0.000 0.991 1050 T HN 0.398 nan 8.240 nan 0.000 0.440 1051 V N 1.550 121.337 119.914 -0.211 0.000 2.379 1051 V HA 0.103 4.212 4.120 -0.017 0.000 0.245 1051 V C 2.057 178.129 176.094 -0.036 0.000 1.044 1051 V CA 1.742 63.950 62.300 -0.154 0.000 1.036 1051 V CB -0.604 31.184 31.823 -0.059 0.000 0.664 1051 V HN 1.081 nan 8.190 nan 0.000 0.453 1052 A N -0.397 122.434 122.820 0.017 0.000 3.091 1052 A HA 0.439 4.749 4.320 -0.017 0.000 0.264 1052 A C -0.538 177.132 177.584 0.143 0.000 1.673 1052 A CA 0.168 52.234 52.037 0.048 0.000 1.362 1052 A CB -0.780 18.241 19.000 0.036 0.000 1.137 1052 A HN 0.458 nan 8.150 nan 0.000 0.617 1053 Y N -0.213 120.058 120.300 -0.049 0.000 2.436 1053 Y HA 0.476 5.015 4.550 -0.019 0.000 0.327 1053 Y C 0.167 176.025 175.900 -0.071 0.000 1.138 1053 Y CA 0.077 58.177 58.100 0.001 0.000 1.042 1053 Y CB 1.059 39.554 38.460 0.058 0.000 1.302 1053 Y HN 1.437 nan 8.280 nan 0.000 0.439 1054 G N 2.331 110.863 108.800 -0.446 0.000 2.710 1054 G HA2 0.076 4.025 3.960 -0.017 0.000 0.668 1054 G HA3 0.076 4.025 3.960 -0.017 0.000 0.668 1054 G C -0.314 174.400 174.900 -0.310 0.000 1.320 1054 G CA -0.462 44.299 45.100 -0.564 0.000 0.860 1054 G HN 1.349 nan 8.290 nan 0.000 0.538 1055 T N -1.197 113.183 114.554 -0.290 0.000 2.726 1055 T HA 0.535 4.875 4.350 -0.017 0.000 0.294 1055 T C -0.909 173.693 174.700 -0.163 0.000 1.013 1055 T CA -0.176 61.821 62.100 -0.172 0.000 0.996 1055 T CB 1.146 69.934 68.868 -0.133 0.000 1.016 1055 T HN 0.345 nan 8.240 nan 0.000 0.529 1056 P HA -0.148 nan 4.420 nan 0.000 0.216 1056 P C 1.805 179.046 177.300 -0.099 0.000 1.150 1056 P CA 1.012 64.058 63.100 -0.090 0.000 0.843 1056 P CB -0.021 31.641 31.700 -0.064 0.000 0.787 1057 Q N -0.055 119.681 119.800 -0.107 0.000 2.084 1057 Q HA -0.123 4.207 4.340 -0.017 0.000 0.202 1057 Q C 1.898 177.814 176.000 -0.139 0.000 0.978 1057 Q CA 1.605 57.346 55.803 -0.104 0.000 0.844 1057 Q CB -0.517 28.166 28.738 -0.092 0.000 0.898 1057 Q HN 0.069 nan 8.270 nan 0.000 0.426 1058 V N 1.243 121.027 119.914 -0.216 0.000 2.295 1058 V HA -0.270 3.839 4.120 -0.017 0.000 0.246 1058 V C 2.442 178.399 176.094 -0.229 0.000 1.049 1058 V CA 2.185 64.299 62.300 -0.311 0.000 1.024 1058 V CB -0.561 30.858 31.823 -0.675 0.000 0.648 1058 V HN 0.364 nan 8.190 nan 0.000 0.447 1059 R N 0.316 120.699 120.500 -0.194 0.000 2.096 1059 R HA -0.093 4.236 4.340 -0.017 0.000 0.235 1059 R C 2.400 178.647 176.300 -0.089 0.000 1.127 1059 R CA 1.422 57.446 56.100 -0.128 0.000 0.968 1059 R CB -0.597 29.646 30.300 -0.094 0.000 0.861 1059 R HN 0.537 nan 8.270 nan 0.000 0.440 1060 A N 1.261 124.036 122.820 -0.076 0.000 1.898 1060 A HA -0.093 4.216 4.320 -0.017 0.000 0.216 1060 A C 2.171 179.698 177.584 -0.096 0.000 1.181 1060 A CA 1.026 53.036 52.037 -0.045 0.000 0.620 1060 A CB -0.473 18.515 19.000 -0.021 0.000 0.819 1060 A HN 0.162 nan 8.150 nan 0.000 0.442 1061 L N -0.619 120.542 121.223 -0.104 0.000 2.083 1061 L HA -0.177 4.153 4.340 -0.017 0.000 0.209 1061 L C 2.794 179.605 176.870 -0.097 0.000 1.083 1061 L CA 1.785 56.559 54.840 -0.110 0.000 0.752 1061 L CB -0.778 41.228 42.059 -0.089 0.000 0.899 1061 L HN 0.354 nan 8.230 nan 0.000 0.433 1062 T N -0.334 114.172 114.554 -0.080 0.000 2.737 1062 T HA -0.138 4.202 4.350 -0.017 0.000 0.265 1062 T C 2.032 176.736 174.700 0.006 0.000 1.038 1062 T CA 1.255 63.330 62.100 -0.042 0.000 1.144 1062 T CB -0.276 68.487 68.868 -0.174 0.000 0.866 1062 T HN 0.433 nan 8.240 nan 0.000 0.434 1063 A N 1.536 124.319 122.820 -0.062 0.000 1.908 1063 A HA 0.089 4.398 4.320 -0.017 0.000 0.218 1063 A C 2.550 179.941 177.584 -0.322 0.000 1.181 1063 A CA 1.876 53.882 52.037 -0.052 0.000 0.627 1063 A CB -1.018 17.983 19.000 0.001 0.000 0.818 1063 A HN 0.517 nan 8.150 nan 0.000 0.445 1064 A N -1.014 121.477 122.820 -0.549 0.000 2.119 1064 A HA 0.098 4.407 4.320 -0.017 0.000 0.217 1064 A C 2.185 179.583 177.584 -0.310 0.000 1.153 1064 A CA 1.543 53.153 52.037 -0.712 0.000 0.692 1064 A CB -0.452 18.264 19.000 -0.474 0.000 0.799 1064 A HN 0.415 nan 8.150 nan 0.000 0.458 1065 S N -0.820 114.740 115.700 -0.234 0.000 2.496 1065 S HA -0.012 4.448 4.470 -0.017 0.000 0.224 1065 S C 1.913 176.212 174.600 -0.501 0.000 0.996 1065 S CA 0.807 58.771 58.200 -0.393 0.000 0.927 1065 S CB -0.119 62.848 63.200 -0.388 0.000 0.774 1065 S HN 0.624 nan 8.310 nan 0.000 0.524 1066 R N 2.681 123.082 120.500 -0.165 0.000 2.096 1066 R HA 0.042 4.372 4.340 -0.017 0.000 0.235 1066 R C 2.100 178.340 176.300 -0.100 0.000 1.127 1066 R CA 1.667 57.699 56.100 -0.113 0.000 0.968 1066 R CB -0.888 29.412 30.300 -0.001 0.000 0.861 1066 R HN 0.308 nan 8.270 nan 0.000 0.440 1067 A N -0.363 122.416 122.820 -0.068 0.000 1.902 1067 A HA -0.163 4.147 4.320 -0.017 0.000 0.217 1067 A C 2.164 179.731 177.584 -0.028 0.000 1.181 1067 A CA 1.490 53.508 52.037 -0.032 0.000 0.623 1067 A CB -0.884 18.109 19.000 -0.012 0.000 0.818 1067 A HN 0.503 nan 8.150 nan 0.000 0.443 1068 F N -0.192 119.648 119.950 -0.183 0.000 2.102 1068 F HA -0.152 4.363 4.527 -0.019 0.000 0.298 1068 F C 1.878 177.632 175.800 -0.076 0.000 1.105 1068 F CA 1.729 59.645 58.000 -0.140 0.000 1.239 1068 F CB -0.286 38.644 39.000 -0.116 0.000 0.991 1068 F HN 0.219 nan 8.300 nan 0.000 0.474 1069 F N 0.792 120.788 119.950 0.077 0.000 2.171 1069 F HA -0.174 4.343 4.527 -0.017 0.000 0.300 1069 F C 2.355 178.057 175.800 -0.163 0.000 1.090 1069 F CA 1.291 59.257 58.000 -0.057 0.000 1.293 1069 F CB -1.354 37.612 39.000 -0.056 0.000 1.013 1069 F HN 0.026 nan 8.300 nan 0.000 0.486 1070 D N -0.684 119.731 120.400 0.024 0.000 2.234 1070 D HA -0.041 4.589 4.640 -0.017 0.000 0.205 1070 D C 0.005 176.257 176.300 -0.080 0.000 0.962 1070 D CA 0.873 54.852 54.000 -0.036 0.000 0.855 1070 D CB -0.244 40.533 40.800 -0.038 0.000 0.951 1070 D HN 0.252 nan 8.370 nan 0.000 0.500 1071 N N 0.453 119.072 118.700 -0.136 0.000 2.716 1071 N HA 0.169 4.898 4.740 -0.017 0.000 0.245 1071 N C -2.680 172.653 175.510 -0.296 0.000 1.495 1071 N CA -0.794 52.159 53.050 -0.161 0.000 0.759 1071 N CB 2.371 40.800 38.487 -0.096 0.000 1.261 1071 N HN -0.031 nan 8.380 nan 0.000 0.515 1072 P HA 0.321 nan 4.420 nan 0.000 0.274 1072 P C -2.564 174.502 177.300 -0.391 0.000 1.246 1072 P CA -1.086 61.503 63.100 -0.852 0.000 0.795 1072 P CB 0.098 31.146 31.700 -1.087 0.000 1.006 1073 P HA 0.041 nan 4.420 nan 0.000 0.268 1073 P C -0.274 177.025 177.300 -0.002 0.000 1.208 1073 P CA 0.234 63.299 63.100 -0.058 0.000 0.777 1073 P CB -0.021 31.718 31.700 0.064 0.000 0.875 1074 A N 2.527 125.349 122.820 0.003 0.000 2.566 1074 A HA 0.370 4.680 4.320 -0.017 0.000 0.245 1074 A C 1.571 179.176 177.584 0.036 0.000 1.056 1074 A CA 0.877 52.918 52.037 0.007 0.000 0.757 1074 A CB -1.460 17.539 19.000 -0.001 0.000 0.979 1074 A HN 0.911 nan 8.150 nan 0.000 0.508 1075 G N 1.256 110.069 108.800 0.021 0.000 2.195 1075 G HA2 -0.321 3.628 3.960 -0.017 0.000 0.246 1075 G HA3 -0.321 3.628 3.960 -0.017 0.000 0.246 1075 G C 0.755 175.679 174.900 0.039 0.000 0.984 1075 G CA 0.872 45.982 45.100 0.015 0.000 0.633 1075 G HN 1.352 nan 8.290 nan 0.000 0.525 1076 F N 1.855 121.759 119.950 -0.076 0.000 2.146 1076 F HA 0.232 4.750 4.527 -0.015 0.000 0.298 1076 F C 1.673 177.401 175.800 -0.120 0.000 1.096 1076 F CA 1.842 59.787 58.000 -0.092 0.000 1.275 1076 F CB 0.008 38.915 39.000 -0.155 0.000 1.008 1076 F HN 0.859 nan 8.300 nan 0.000 0.480 1077 C N -1.778 117.484 119.300 -0.063 0.000 3.321 1077 C HA 0.532 4.981 4.460 -0.017 0.000 0.329 1077 C C 0.733 175.645 174.990 -0.131 0.000 1.394 1077 C CA -0.787 58.132 59.018 -0.164 0.000 1.291 1077 C CB 1.242 28.917 27.740 -0.108 0.000 1.606 1077 C HN 0.248 nan 8.230 nan 0.000 0.463 1078 E N -0.466 119.619 120.200 -0.192 0.000 2.340 1078 E HA 0.219 4.559 4.350 -0.017 0.000 0.194 1078 E C 0.362 176.636 176.600 -0.543 0.000 0.996 1078 E CA 0.946 57.131 56.400 -0.359 0.000 0.869 1078 E CB 0.068 29.497 29.700 -0.451 0.000 0.835 1078 E HN 0.646 nan 8.360 nan 0.000 0.493 1079 H N -1.030 118.015 119.070 -0.043 0.000 2.894 1079 H HA 0.364 4.909 4.556 -0.018 0.000 0.368 1079 H C -2.262 173.046 175.328 -0.034 0.000 1.181 1079 H CA -2.444 53.581 56.048 -0.037 0.000 1.146 1079 H CB 0.742 30.480 29.762 -0.041 0.000 1.839 1079 H HN -0.152 nan 8.280 nan 0.000 0.557 1080 P HA 0.029 nan 4.420 nan 0.000 0.265 1080 P C 0.932 178.241 177.300 0.016 0.000 1.187 1080 P CA 0.114 63.234 63.100 0.032 0.000 0.766 1080 P CB 0.883 32.593 31.700 0.017 0.000 0.820 1081 L N 1.333 122.551 121.223 -0.009 0.000 2.240 1081 L HA 0.060 4.389 4.340 -0.017 0.000 0.211 1081 L C 0.841 177.656 176.870 -0.092 0.000 1.106 1081 L CA 0.758 55.574 54.840 -0.040 0.000 0.793 1081 L CB -0.248 41.794 42.059 -0.029 0.000 0.927 1081 L HN 0.298 nan 8.230 nan 0.000 0.446 1082 L N -1.077 120.096 121.223 -0.083 0.000 2.346 1082 L HA 0.432 4.761 4.340 -0.017 0.000 0.274 1082 L C -0.191 176.642 176.870 -0.061 0.000 1.007 1082 L CA -0.282 54.494 54.840 -0.106 0.000 0.818 1082 L CB 2.002 43.978 42.059 -0.139 0.000 1.284 1082 L HN -0.137 nan 8.230 nan 0.000 0.424 1083 S N 2.748 118.418 115.700 -0.051 0.000 2.526 1083 S HA 0.660 5.119 4.470 -0.017 0.000 0.293 1083 S C -2.727 171.869 174.600 -0.006 0.000 1.092 1083 S CA -1.533 56.656 58.200 -0.018 0.000 0.980 1083 S CB 2.023 65.220 63.200 -0.004 0.000 1.048 1083 S HN 0.268 nan 8.310 nan 0.000 0.483 1084 P HA 0.330 nan 4.420 nan 0.000 0.267 1084 P C -0.855 176.478 177.300 0.056 0.000 1.205 1084 P CA -0.062 63.053 63.100 0.025 0.000 0.765 1084 P CB 0.226 31.945 31.700 0.032 0.000 0.828 1085 R N 3.818 124.366 120.500 0.078 0.000 3.101 1085 R HA 0.353 4.683 4.340 -0.017 0.000 0.242 1085 R C -2.884 173.523 176.300 0.178 0.000 1.831 1085 R CA -1.802 54.386 56.100 0.147 0.000 1.321 1085 R CB 0.022 30.457 30.300 0.225 0.000 1.512 1085 R HN 0.226 nan 8.270 nan 0.000 0.568 1086 P HA -0.050 nan 4.420 nan 0.000 0.269 1086 P C -0.981 176.274 177.300 -0.074 0.000 1.205 1086 P CA 0.091 63.127 63.100 -0.107 0.000 0.780 1086 P CB 0.609 32.141 31.700 -0.281 0.000 0.858 1087 E N 1.784 121.891 120.200 -0.156 0.000 2.171 1087 E HA 0.462 4.802 4.350 -0.017 0.000 0.271 1087 E C -1.168 175.357 176.600 -0.126 0.000 0.916 1087 E CA -0.746 55.579 56.400 -0.124 0.000 0.774 1087 E CB 0.773 30.430 29.700 -0.073 0.000 1.128 1087 E HN 0.317 nan 8.360 nan 0.000 0.403 1088 M N 5.394 124.980 119.600 -0.024 0.000 2.125 1088 M HA 0.326 4.796 4.480 -0.017 0.000 0.321 1088 M C -1.759 174.540 176.300 -0.002 0.000 0.983 1088 M CA -0.807 54.531 55.300 0.064 0.000 0.934 1088 M CB 1.307 34.004 32.600 0.161 0.000 1.542 1088 M HN 0.292 nan 8.290 nan 0.000 0.424 1089 V N 6.168 126.081 119.914 -0.001 0.000 2.348 1089 V HA 0.354 4.463 4.120 -0.017 0.000 0.270 1089 V C -0.340 175.720 176.094 -0.056 0.000 1.037 1089 V CA -0.624 61.663 62.300 -0.023 0.000 0.872 1089 V CB 1.212 33.036 31.823 0.002 0.000 1.002 1089 V HN 0.629 nan 8.190 nan 0.000 0.464 1090 V N 3.852 123.692 119.914 -0.123 0.000 2.427 1090 V HA 0.299 4.408 4.120 -0.017 0.000 0.286 1090 V C 0.078 175.956 176.094 -0.361 0.000 1.034 1090 V CA -0.629 61.472 62.300 -0.332 0.000 0.893 1090 V CB 1.920 33.368 31.823 -0.625 0.000 0.982 1090 V HN 0.884 nan 8.190 nan 0.000 0.452 1091 D N 3.570 123.821 120.400 -0.248 0.000 2.359 1091 D HA 0.164 4.794 4.640 -0.017 0.000 0.250 1091 D C 0.135 176.405 176.300 -0.050 0.000 1.264 1091 D CA 0.079 54.034 54.000 -0.075 0.000 0.911 1091 D CB 0.365 41.181 40.800 0.027 0.000 1.056 1091 D HN 0.389 nan 8.370 nan 0.000 0.499 1092 F N 1.097 121.174 119.950 0.212 0.000 2.664 1092 F HA 0.100 4.617 4.527 -0.017 0.000 0.303 1092 F C 1.800 177.746 175.800 0.243 0.000 1.092 1092 F CA -0.172 58.001 58.000 0.289 0.000 1.305 1092 F CB 0.299 39.442 39.000 0.239 0.000 1.054 1092 F HN 0.302 nan 8.300 nan 0.000 0.565 1093 S N -2.228 113.600 115.700 0.212 0.000 2.701 1093 S HA 0.134 4.594 4.470 -0.017 0.000 0.242 1093 S C -0.092 174.317 174.600 -0.319 0.000 1.025 1093 S CA -0.235 57.968 58.200 0.006 0.000 1.016 1093 S CB 0.052 63.279 63.200 0.046 0.000 0.977 1093 S HN 0.207 nan 8.310 nan 0.000 0.546 1094 D N 1.811 121.835 120.400 -0.626 0.000 3.187 1094 D HA -0.147 4.483 4.640 -0.017 0.000 0.244 1094 D C -1.234 174.859 176.300 -0.345 0.000 1.114 1094 D CA 0.684 54.149 54.000 -0.892 0.000 0.920 1094 D CB -1.316 38.688 40.800 -1.326 0.000 0.970 1094 D HN 0.450 nan 8.370 nan 0.000 0.418 1095 D N 1.652 121.947 120.400 -0.175 0.000 2.552 1095 D HA 0.235 4.865 4.640 -0.017 0.000 0.285 1095 D C -1.618 174.658 176.300 -0.040 0.000 1.206 1095 D CA -1.294 52.656 54.000 -0.085 0.000 0.826 1095 D CB 1.054 41.825 40.800 -0.050 0.000 1.179 1095 D HN 0.113 nan 8.370 nan 0.000 0.508 1096 P HA -0.120 nan 4.420 nan 0.000 0.220 1096 P C 1.002 178.305 177.300 0.005 0.000 1.148 1096 P CA 0.892 63.988 63.100 -0.006 0.000 0.803 1096 P CB 0.733 32.431 31.700 -0.004 0.000 0.782 1097 E N -0.104 120.096 120.200 -0.001 0.000 2.107 1097 E HA -0.180 4.160 4.350 -0.017 0.000 0.191 1097 E C 2.128 178.739 176.600 0.018 0.000 0.982 1097 E CA 0.769 57.174 56.400 0.010 0.000 0.809 1097 E CB -0.220 29.481 29.700 0.002 0.000 0.756 1097 E HN 0.204 nan 8.360 nan 0.000 0.459 1098 E N 1.116 121.323 120.200 0.013 0.000 2.051 1098 E HA -0.191 4.148 4.350 -0.017 0.000 0.192 1098 E C 1.920 178.543 176.600 0.038 0.000 0.991 1098 E CA 0.655 57.068 56.400 0.022 0.000 0.799 1098 E CB -0.202 29.508 29.700 0.016 0.000 0.748 1098 E HN 0.125 nan 8.360 nan 0.000 0.449 1099 L N 0.738 121.981 121.223 0.034 0.000 2.012 1099 L HA -0.140 4.190 4.340 -0.017 0.000 0.210 1099 L C 2.438 179.359 176.870 0.085 0.000 1.073 1099 L CA 2.126 56.995 54.840 0.047 0.000 0.748 1099 L CB -0.676 41.398 42.059 0.024 0.000 0.891 1099 L HN 0.087 nan 8.230 nan 0.000 0.431 1100 R N -0.337 120.211 120.500 0.079 0.000 2.081 1100 R HA -0.120 4.210 4.340 -0.017 0.000 0.235 1100 R C 2.418 178.800 176.300 0.137 0.000 1.131 1100 R CA 1.652 57.830 56.100 0.130 0.000 0.960 1100 R CB -0.384 29.969 30.300 0.088 0.000 0.856 1100 R HN 0.335 nan 8.270 nan 0.000 0.436 1101 R N -0.131 120.416 120.500 0.079 0.000 2.081 1101 R HA -0.102 4.227 4.340 -0.017 0.000 0.235 1101 R C 2.412 178.744 176.300 0.053 0.000 1.131 1101 R CA 1.976 58.106 56.100 0.051 0.000 0.960 1101 R CB -0.195 30.123 30.300 0.030 0.000 0.856 1101 R HN 0.453 nan 8.270 nan 0.000 0.436 1102 Q N -0.818 119.026 119.800 0.074 0.000 2.123 1102 Q HA -0.193 4.137 4.340 -0.017 0.000 0.199 1102 Q C 1.805 177.865 176.000 0.101 0.000 0.966 1102 Q CA 1.279 57.126 55.803 0.074 0.000 0.845 1102 Q CB -0.150 28.636 28.738 0.079 0.000 0.907 1102 Q HN 0.371 nan 8.270 nan 0.000 0.439 1103 Y N 2.081 122.391 120.300 0.017 0.000 2.145 1103 Y HA -0.220 4.326 4.550 -0.007 0.000 0.286 1103 Y C 1.987 177.897 175.900 0.017 0.000 1.145 1103 Y CA 1.528 59.640 58.100 0.019 0.000 1.148 1103 Y CB 0.024 38.496 38.460 0.019 0.000 0.981 1103 Y HN 0.006 nan 8.280 nan 0.000 0.507 1104 E N -0.456 119.634 120.200 -0.185 0.000 2.106 1104 E HA -0.183 4.157 4.350 -0.017 0.000 0.192 1104 E C 2.477 178.957 176.600 -0.200 0.000 0.984 1104 E CA 1.197 57.421 56.400 -0.293 0.000 0.806 1104 E CB -0.645 28.997 29.700 -0.098 0.000 0.750 1104 E HN 0.456 nan 8.360 nan 0.000 0.458 1105 S N 0.233 115.873 115.700 -0.100 0.000 2.368 1105 S HA -0.110 4.349 4.470 -0.017 0.000 0.225 1105 S C 2.092 176.649 174.600 -0.071 0.000 1.030 1105 S CA 1.648 59.809 58.200 -0.066 0.000 0.999 1105 S CB -0.403 62.781 63.200 -0.027 0.000 0.844 1105 S HN 0.347 nan 8.310 nan 0.000 0.459 1106 G N 0.855 109.614 108.800 -0.069 0.000 2.402 1106 G HA2 -0.170 3.780 3.960 -0.017 0.000 0.216 1106 G HA3 -0.170 3.780 3.960 -0.017 0.000 0.216 1106 G C 1.477 176.330 174.900 -0.079 0.000 1.162 1106 G CA 0.889 45.964 45.100 -0.043 0.000 0.777 1106 G HN 0.566 nan 8.290 nan 0.000 0.539 1107 K N 0.557 120.845 120.400 -0.186 0.000 2.147 1107 K HA 0.079 4.389 4.320 -0.017 0.000 0.205 1107 K C 2.712 179.238 176.600 -0.124 0.000 1.049 1107 K CA 1.008 57.176 56.287 -0.199 0.000 0.936 1107 K CB -0.232 32.000 32.500 -0.447 0.000 0.722 1107 K HN 0.216 nan 8.250 nan 0.000 0.446 1108 A N 0.711 123.459 122.820 -0.120 0.000 2.019 1108 A HA -0.127 4.183 4.320 -0.017 0.000 0.219 1108 A C 1.841 179.401 177.584 -0.042 0.000 1.164 1108 A CA 1.067 53.060 52.037 -0.074 0.000 0.644 1108 A CB -0.217 18.741 19.000 -0.070 0.000 0.805 1108 A HN 0.328 nan 8.150 nan 0.000 0.449 1109 L N -1.406 119.797 121.223 -0.032 0.000 2.470 1109 L HA 0.272 4.602 4.340 -0.017 0.000 0.219 1109 L C 0.149 177.026 176.870 0.012 0.000 1.071 1109 L CA 1.055 55.892 54.840 -0.004 0.000 0.850 1109 L CB 0.705 42.762 42.059 -0.002 0.000 1.040 1109 L HN 0.065 nan 8.230 nan 0.000 0.475 1110 V N 1.288 121.203 119.914 0.002 0.000 2.320 1110 V HA 0.289 4.399 4.120 -0.017 0.000 0.268 1110 V C -1.695 174.408 176.094 0.014 0.000 1.021 1110 V CA -0.849 61.463 62.300 0.020 0.000 0.813 1110 V CB 1.047 32.886 31.823 0.027 0.000 1.054 1110 V HN 0.030 nan 8.190 nan 0.000 0.444 1111 P HA -0.147 nan 4.420 nan 0.000 0.219 1111 P C 1.330 178.656 177.300 0.043 0.000 1.146 1111 P CA 1.220 64.330 63.100 0.017 0.000 0.808 1111 P CB 0.286 31.998 31.700 0.020 0.000 0.779 1112 Q N -1.931 117.903 119.800 0.056 0.000 2.444 1112 Q HA 0.067 4.397 4.340 -0.017 0.000 0.206 1112 Q C 0.647 176.716 176.000 0.114 0.000 0.948 1112 Q CA -0.236 55.616 55.803 0.082 0.000 0.946 1112 Q CB -0.375 28.408 28.738 0.075 0.000 1.027 1112 Q HN 0.210 nan 8.270 nan 0.000 0.513 1113 M N 1.451 121.116 119.600 0.107 0.000 2.248 1113 M HA -0.060 4.409 4.480 -0.017 0.000 0.343 1113 M C -0.588 175.894 176.300 0.303 0.000 1.243 1113 M CA 1.176 56.575 55.300 0.165 0.000 1.025 1113 M CB 0.341 33.008 32.600 0.111 0.000 1.759 1113 M HN -0.089 nan 8.290 nan 0.000 0.452 1114 R N 3.586 124.273 120.500 0.312 0.000 2.740 1114 R HA 0.678 5.008 4.340 -0.017 0.000 0.282 1114 R C -1.588 174.743 176.300 0.052 0.000 0.969 1114 R CA -1.162 55.077 56.100 0.231 0.000 0.918 1114 R CB 1.438 31.837 30.300 0.166 0.000 1.175 1114 R HN 0.635 nan 8.270 nan 0.000 0.464 1115 L N 3.521 124.548 121.223 -0.327 0.000 2.272 1115 L HA 0.433 4.763 4.340 -0.017 0.000 0.289 1115 L C -1.266 175.462 176.870 -0.236 0.000 1.032 1115 L CA -0.095 54.449 54.840 -0.493 0.000 0.810 1115 L CB 0.881 42.369 42.059 -0.952 0.000 1.205 1115 L HN 0.450 nan 8.230 nan 0.000 0.422 1116 L N 3.702 124.835 121.223 -0.150 0.000 2.331 1116 L HA 0.519 4.848 4.340 -0.017 0.000 0.275 1116 L C -0.377 176.425 176.870 -0.114 0.000 1.022 1116 L CA -1.134 53.633 54.840 -0.121 0.000 0.812 1116 L CB 1.683 43.678 42.059 -0.106 0.000 1.257 1116 L HN 0.621 nan 8.230 nan 0.000 0.435 1117 D N 1.239 121.576 120.400 -0.106 0.000 2.423 1117 D HA 0.282 4.911 4.640 -0.017 0.000 0.255 1117 D C 0.866 177.104 176.300 -0.104 0.000 1.174 1117 D CA -0.297 53.649 54.000 -0.091 0.000 1.008 1117 D CB 1.149 41.902 40.800 -0.078 0.000 1.101 1117 D HN 0.520 nan 8.370 nan 0.000 0.516 1118 A N 0.119 122.875 122.820 -0.108 0.000 1.940 1118 A HA -0.225 4.085 4.320 -0.017 0.000 0.219 1118 A C 1.916 179.421 177.584 -0.131 0.000 1.176 1118 A CA 1.671 53.623 52.037 -0.142 0.000 0.631 1118 A CB -0.924 17.967 19.000 -0.182 0.000 0.814 1118 A HN 0.724 nan 8.150 nan 0.000 0.446 1119 E N -0.478 119.657 120.200 -0.109 0.000 2.110 1119 E HA -0.224 4.116 4.350 -0.017 0.000 0.193 1119 E C 2.277 178.815 176.600 -0.104 0.000 0.988 1119 E CA 1.360 57.702 56.400 -0.097 0.000 0.804 1119 E CB -0.190 29.462 29.700 -0.079 0.000 0.745 1119 E HN 0.743 nan 8.360 nan 0.000 0.458 1120 Q N 0.216 119.949 119.800 -0.111 0.000 2.079 1120 Q HA -0.128 4.201 4.340 -0.017 0.000 0.200 1120 Q C 2.257 178.168 176.000 -0.148 0.000 0.974 1120 Q CA 1.270 56.996 55.803 -0.129 0.000 0.840 1120 Q CB -0.143 28.513 28.738 -0.136 0.000 0.898 1120 Q HN 0.247 nan 8.270 nan 0.000 0.430 1121 A N 0.215 122.950 122.820 -0.143 0.000 1.902 1121 A HA -0.196 4.113 4.320 -0.017 0.000 0.217 1121 A C 2.263 179.758 177.584 -0.149 0.000 1.181 1121 A CA 1.341 53.291 52.037 -0.146 0.000 0.623 1121 A CB -0.882 18.027 19.000 -0.152 0.000 0.818 1121 A HN 0.505 nan 8.150 nan 0.000 0.443 1122 C N -0.685 118.534 119.300 -0.136 0.000 2.432 1122 C HA -0.001 4.449 4.460 -0.017 0.000 0.280 1122 C C 3.188 178.105 174.990 -0.122 0.000 1.353 1122 C CA 1.047 59.989 59.018 -0.126 0.000 1.766 1122 C CB -1.241 26.437 27.740 -0.104 0.000 1.924 1122 C HN 0.607 nan 8.230 nan 0.000 0.509 1123 S N 1.089 116.721 115.700 -0.114 0.000 2.382 1123 S HA -0.050 4.410 4.470 -0.017 0.000 0.228 1123 S C 1.611 176.146 174.600 -0.109 0.000 1.027 1123 S CA 1.270 59.412 58.200 -0.097 0.000 0.991 1123 S CB -0.255 62.889 63.200 -0.093 0.000 0.823 1123 S HN 0.604 nan 8.310 nan 0.000 0.469 1124 I N 0.641 121.123 120.570 -0.146 0.000 2.333 1124 I HA -0.005 4.155 4.170 -0.017 0.000 0.246 1124 I C 0.064 176.028 176.117 -0.254 0.000 1.106 1124 I CA 0.797 62.008 61.300 -0.150 0.000 1.411 1124 I CB 0.146 38.051 38.000 -0.158 0.000 1.082 1124 I HN 0.025 nan 8.210 nan 0.000 0.420 1125 V N 2.886 122.585 119.914 -0.359 0.000 2.289 1125 V HA 0.203 4.313 4.120 -0.017 0.000 0.272 1125 V C -1.853 173.962 176.094 -0.465 0.000 1.026 1125 V CA -0.922 60.950 62.300 -0.714 0.000 0.807 1125 V CB 0.976 32.361 31.823 -0.730 0.000 1.044 1125 V HN 0.048 nan 8.190 nan 0.000 0.443 1126 P HA -0.063 nan 4.420 nan 0.000 0.237 1126 P C 1.453 178.709 177.300 -0.075 0.000 1.178 1126 P CA 0.813 63.844 63.100 -0.114 0.000 0.766 1126 P CB 0.126 31.827 31.700 0.002 0.000 0.876 1127 V N -4.319 115.523 119.914 -0.120 0.000 3.380 1127 V HA 0.027 4.136 4.120 -0.017 0.000 0.268 1127 V C 0.976 177.047 176.094 -0.038 0.000 1.168 1127 V CA 0.233 62.520 62.300 -0.021 0.000 1.156 1127 V CB -1.434 30.439 31.823 0.083 0.000 0.785 1127 V HN -0.098 nan 8.190 nan 0.000 0.487 1128 L N 1.895 123.071 121.223 -0.078 0.000 2.485 1128 L HA 0.247 4.576 4.340 -0.017 0.000 0.275 1128 L C 0.778 177.651 176.870 0.003 0.000 1.207 1128 L CA -0.059 54.782 54.840 0.002 0.000 0.855 1128 L CB 0.194 42.250 42.059 -0.005 0.000 1.114 1128 L HN 0.197 nan 8.230 nan 0.000 0.485 1129 R N 2.684 123.205 120.500 0.036 0.000 2.242 1129 R HA 0.035 4.364 4.340 -0.017 0.000 0.334 1129 R C 0.940 177.230 176.300 -0.017 0.000 1.071 1129 R CA -0.310 55.793 56.100 0.006 0.000 0.922 1129 R CB 0.596 30.901 30.300 0.008 0.000 1.023 1129 R HN 0.462 nan 8.270 nan 0.000 0.458 1130 R N 2.402 122.869 120.500 -0.055 0.000 2.117 1130 R HA -0.162 4.167 4.340 -0.017 0.000 0.243 1130 R C 0.553 176.757 176.300 -0.160 0.000 1.143 1130 R CA 1.836 57.872 56.100 -0.106 0.000 0.968 1130 R CB -0.139 30.106 30.300 -0.093 0.000 0.863 1130 R HN 0.502 nan 8.270 nan 0.000 0.444 1131 D N -0.095 120.236 120.400 -0.116 0.000 2.309 1131 D HA -0.097 4.533 4.640 -0.017 0.000 0.212 1131 D C 0.987 177.179 176.300 -0.180 0.000 0.968 1131 D CA 0.904 54.821 54.000 -0.138 0.000 0.882 1131 D CB 0.127 40.896 40.800 -0.051 0.000 0.918 1131 D HN 0.174 nan 8.370 nan 0.000 0.503 1132 K N -0.087 120.258 120.400 -0.091 0.000 2.367 1132 K HA 0.157 4.466 4.320 -0.017 0.000 0.194 1132 K C 0.043 176.655 176.600 0.020 0.000 1.027 1132 K CA 0.016 56.353 56.287 0.083 0.000 1.075 1132 K CB 1.302 33.949 32.500 0.244 0.000 0.845 1132 K HN 0.007 nan 8.250 nan 0.000 0.529 1133 V N 1.627 121.339 119.914 -0.337 0.000 2.435 1133 V HA 0.277 4.387 4.120 -0.017 0.000 0.290 1133 V C 0.139 175.824 176.094 -0.681 0.000 1.030 1133 V CA -0.468 61.598 62.300 -0.389 0.000 0.881 1133 V CB 1.130 32.785 31.823 -0.279 0.000 0.983 1133 V HN 0.053 nan 8.190 nan 0.000 0.445 1134 F N 2.244 122.116 119.950 -0.130 0.000 2.706 1134 F HA 0.653 5.169 4.527 -0.018 0.000 0.313 1134 F C 1.143 176.881 175.800 -0.103 0.000 1.096 1134 F CA 0.426 58.374 58.000 -0.087 0.000 1.219 1134 F CB 1.007 39.976 39.000 -0.052 0.000 1.051 1134 F HN 0.757 nan 8.300 nan 0.000 0.568 1135 G N 0.276 109.056 108.800 -0.032 0.000 2.369 1135 G HA2 0.518 4.468 3.960 -0.017 0.000 0.307 1135 G HA3 0.518 4.468 3.960 -0.017 0.000 0.307 1135 G C -1.994 172.847 174.900 -0.098 0.000 1.327 1135 G CA -0.289 44.773 45.100 -0.063 0.000 0.963 1135 G HN 0.481 nan 8.290 nan 0.000 0.590 1136 A N -1.203 121.567 122.820 -0.084 0.000 2.601 1136 A HA 1.041 5.351 4.320 -0.017 0.000 0.291 1136 A C -0.060 177.511 177.584 -0.022 0.000 1.075 1136 A CA 0.568 52.565 52.037 -0.066 0.000 0.671 1136 A CB 1.212 20.166 19.000 -0.076 0.000 1.277 1136 A HN 2.420 nan 8.150 nan 0.000 0.417 1137 T N -1.802 112.770 114.554 0.029 0.000 2.925 1137 T HA 0.684 5.023 4.350 -0.017 0.000 0.285 1137 T C -0.943 173.851 174.700 0.157 0.000 1.021 1137 T CA -0.442 61.715 62.100 0.095 0.000 1.042 1137 T CB 1.377 70.327 68.868 0.137 0.000 1.037 1137 T HN 1.276 nan 8.240 nan 0.000 0.481 1138 Y N 1.175 121.496 120.300 0.034 0.000 2.354 1138 Y HA 0.465 5.004 4.550 -0.018 0.000 0.330 1138 Y C -1.468 174.469 175.900 0.061 0.000 1.011 1138 Y CA -1.154 56.964 58.100 0.029 0.000 1.099 1138 Y CB 1.789 40.254 38.460 0.008 0.000 1.179 1138 Y HN 0.826 nan 8.280 nan 0.000 0.442 1139 D N 8.317 128.502 120.400 -0.358 0.000 2.454 1139 D HA 0.381 5.011 4.640 -0.017 0.000 0.225 1139 D C -2.290 173.759 176.300 -0.419 0.000 1.081 1139 D CA -2.652 51.202 54.000 -0.244 0.000 0.864 1139 D CB 2.027 42.765 40.800 -0.103 0.000 1.040 1139 D HN 0.302 nan 8.370 nan 0.000 0.517 1140 P HA -0.032 nan 4.420 nan 0.000 0.234 1140 P C 0.990 178.252 177.300 -0.063 0.000 1.167 1140 P CA 0.910 63.906 63.100 -0.173 0.000 0.763 1140 P CB 0.181 31.913 31.700 0.053 0.000 0.835 1141 T N -4.884 109.651 114.554 -0.032 0.000 3.086 1141 T HA 0.245 4.585 4.350 -0.017 0.000 0.250 1141 T C 1.077 175.815 174.700 0.063 0.000 1.074 1141 T CA -0.216 61.902 62.100 0.031 0.000 0.988 1141 T CB -0.677 68.231 68.868 0.066 0.000 0.988 1141 T HN -0.017 nan 8.240 nan 0.000 0.530 1142 G N 0.842 109.665 108.800 0.038 0.000 2.614 1142 G HA2 0.515 4.465 3.960 -0.017 0.000 0.239 1142 G HA3 0.515 4.465 3.960 -0.017 0.000 0.239 1142 G C -0.339 174.566 174.900 0.009 0.000 1.240 1142 G CA -0.147 44.993 45.100 0.067 0.000 0.842 1142 G HN 0.849 nan 8.290 nan 0.000 0.584 1143 A N 1.258 123.977 122.820 -0.169 0.000 2.549 1143 A HA 0.606 4.916 4.320 -0.017 0.000 0.297 1143 A C -0.907 176.522 177.584 -0.259 0.000 1.061 1143 A CA -0.764 51.184 52.037 -0.148 0.000 0.690 1143 A CB 1.589 20.502 19.000 -0.146 0.000 1.287 1143 A HN 0.555 nan 8.150 nan 0.000 0.402 1144 D N 1.096 121.468 120.400 -0.047 0.000 2.345 1144 D HA 0.468 5.097 4.640 -0.017 0.000 0.247 1144 D C -0.234 176.023 176.300 -0.073 0.000 1.108 1144 D CA 0.580 54.583 54.000 0.006 0.000 0.894 1144 D CB 1.055 41.893 40.800 0.064 0.000 1.203 1144 D HN 0.420 nan 8.370 nan 0.000 0.430 1145 I N 1.214 121.738 120.570 -0.077 0.000 2.377 1145 I HA 0.071 4.230 4.170 -0.017 0.000 0.293 1145 I C 0.384 176.446 176.117 -0.091 0.000 0.987 1145 I CA -0.808 60.408 61.300 -0.140 0.000 1.185 1145 I CB 1.542 39.425 38.000 -0.195 0.000 1.341 1145 I HN 0.087 nan 8.210 nan 0.000 0.455 1146 D N 5.027 125.370 120.400 -0.094 0.000 2.498 1146 D HA 0.003 4.633 4.640 -0.017 0.000 0.229 1146 D C 1.476 177.740 176.300 -0.060 0.000 1.188 1146 D CA -0.039 53.923 54.000 -0.062 0.000 1.028 1146 D CB 0.669 41.441 40.800 -0.047 0.000 1.087 1146 D HN 0.719 nan 8.370 nan 0.000 0.510 1147 T N 0.296 114.821 114.554 -0.048 0.000 2.720 1147 T HA -0.247 4.092 4.350 -0.017 0.000 0.268 1147 T C 1.579 176.290 174.700 0.020 0.000 1.037 1147 T CA 1.366 63.451 62.100 -0.025 0.000 1.144 1147 T CB -0.168 68.687 68.868 -0.021 0.000 0.864 1147 T HN 0.244 nan 8.240 nan 0.000 0.444 1148 D N 1.816 122.219 120.400 0.005 0.000 2.117 1148 D HA 0.052 4.681 4.640 -0.017 0.000 0.197 1148 D C 2.370 178.664 176.300 -0.010 0.000 0.987 1148 D CA 1.300 55.313 54.000 0.022 0.000 0.829 1148 D CB -0.576 40.215 40.800 -0.015 0.000 0.961 1148 D HN 0.507 nan 8.370 nan 0.000 0.460 1149 A N -0.053 122.744 122.820 -0.038 0.000 1.933 1149 A HA -0.095 4.215 4.320 -0.017 0.000 0.218 1149 A C 2.118 179.634 177.584 -0.112 0.000 1.175 1149 A CA 1.276 53.267 52.037 -0.077 0.000 0.628 1149 A CB -0.829 18.144 19.000 -0.046 0.000 0.814 1149 A HN 0.385 nan 8.150 nan 0.000 0.444 1150 L N -0.746 120.446 121.223 -0.050 0.000 1.994 1150 L HA -0.170 4.160 4.340 -0.017 0.000 0.208 1150 L C 2.361 179.158 176.870 -0.122 0.000 1.071 1150 L CA 2.764 57.570 54.840 -0.057 0.000 0.745 1150 L CB -0.946 41.089 42.059 -0.040 0.000 0.892 1150 L HN 0.634 nan 8.230 nan 0.000 0.431 1151 H N -1.473 117.558 119.070 -0.065 0.000 2.290 1151 H HA -0.167 4.378 4.556 -0.017 0.000 0.298 1151 H C 1.993 177.315 175.328 -0.011 0.000 1.087 1151 H CA 1.441 57.524 56.048 0.059 0.000 1.291 1151 H CB 0.344 30.143 29.762 0.062 0.000 1.369 1151 H HN 0.404 nan 8.280 nan 0.000 0.492 1152 Q N -0.064 119.667 119.800 -0.115 0.000 2.170 1152 Q HA -0.079 4.250 4.340 -0.017 0.000 0.203 1152 Q C 2.512 178.331 176.000 -0.302 0.000 0.976 1152 Q CA 1.055 56.722 55.803 -0.226 0.000 0.858 1152 Q CB -0.607 28.016 28.738 -0.191 0.000 0.907 1152 Q HN 0.624 nan 8.270 nan 0.000 0.433 1153 G N -0.376 108.124 108.800 -0.500 0.000 2.418 1153 G HA2 -0.248 3.701 3.960 -0.017 0.000 0.217 1153 G HA3 -0.248 3.701 3.960 -0.017 0.000 0.217 1153 G C 1.054 175.532 174.900 -0.703 0.000 1.158 1153 G CA 0.522 44.966 45.100 -1.093 0.000 0.771 1153 G HN 0.266 nan 8.290 nan 0.000 0.545 1154 Y N 0.756 120.924 120.300 -0.219 0.000 2.145 1154 Y HA 0.018 4.556 4.550 -0.019 0.000 0.286 1154 Y C 2.831 178.747 175.900 0.027 0.000 1.145 1154 Y CA 0.568 58.633 58.100 -0.060 0.000 1.148 1154 Y CB -0.764 37.748 38.460 0.086 0.000 0.981 1154 Y HN 0.069 nan 8.280 nan 0.000 0.507 1155 L N -0.525 120.766 121.223 0.115 0.000 2.046 1155 L HA -0.207 4.122 4.340 -0.017 0.000 0.208 1155 L C 2.661 179.536 176.870 0.008 0.000 1.077 1155 L CA 1.501 56.363 54.840 0.036 0.000 0.747 1155 L CB -0.525 41.485 42.059 -0.082 0.000 0.896 1155 L HN 0.115 nan 8.230 nan 0.000 0.432 1156 R N 0.511 120.977 120.500 -0.057 0.000 2.096 1156 R HA -0.141 4.189 4.340 -0.017 0.000 0.235 1156 R C 2.250 178.563 176.300 0.022 0.000 1.127 1156 R CA 1.476 57.541 56.100 -0.058 0.000 0.968 1156 R CB -0.479 29.737 30.300 -0.139 0.000 0.861 1156 R HN 0.375 nan 8.270 nan 0.000 0.440 1157 G N 1.338 110.213 108.800 0.124 0.000 2.440 1157 G HA2 -0.248 3.701 3.960 -0.017 0.000 0.218 1157 G HA3 -0.248 3.701 3.960 -0.017 0.000 0.218 1157 G C 1.495 176.495 174.900 0.168 0.000 1.154 1157 G CA 0.992 46.267 45.100 0.291 0.000 0.767 1157 G HN 0.293 nan 8.290 nan 0.000 0.552 1158 I N 0.188 120.860 120.570 0.170 0.000 2.163 1158 I HA -0.196 3.964 4.170 -0.017 0.000 0.243 1158 I C 3.065 179.203 176.117 0.034 0.000 1.085 1158 I CA 1.200 62.547 61.300 0.079 0.000 1.347 1158 I CB -0.216 37.833 38.000 0.082 0.000 1.044 1158 I HN 0.110 nan 8.210 nan 0.000 0.408 1159 R N 0.407 120.922 120.500 0.025 0.000 2.092 1159 R HA -0.087 4.243 4.340 -0.017 0.000 0.231 1159 R C 2.370 178.670 176.300 0.000 0.000 1.119 1159 R CA 0.965 57.067 56.100 0.003 0.000 0.970 1159 R CB -0.301 29.991 30.300 -0.012 0.000 0.864 1159 R HN 0.358 nan 8.270 nan 0.000 0.440 1160 R N 0.369 120.872 120.500 0.005 0.000 2.189 1160 R HA -0.012 4.317 4.340 -0.017 0.000 0.223 1160 R C 0.763 177.057 176.300 -0.010 0.000 1.092 1160 R CA 0.712 56.811 56.100 -0.002 0.000 0.989 1160 R CB -0.030 30.274 30.300 0.007 0.000 0.876 1160 R HN 0.157 nan 8.270 nan 0.000 0.457 1161 N N 0.852 119.543 118.700 -0.015 0.000 2.327 1161 N HA -0.006 4.724 4.740 -0.017 0.000 0.231 1161 N C -0.366 175.137 175.510 -0.012 0.000 1.130 1161 N CA 0.185 53.217 53.050 -0.030 0.000 0.845 1161 N CB 0.856 39.305 38.487 -0.063 0.000 1.073 1161 N HN 0.048 nan 8.380 nan 0.000 0.496 1162 Q N -2.075 117.723 119.800 -0.004 0.000 2.460 1162 Q HA -0.131 4.198 4.340 -0.017 0.000 0.248 1162 Q C 0.549 176.555 176.000 0.011 0.000 0.847 1162 Q CA 1.030 56.835 55.803 0.003 0.000 1.214 1162 Q CB -2.282 26.458 28.738 0.003 0.000 1.523 1162 Q HN 0.467 nan 8.270 nan 0.000 0.602 1163 G N 0.249 109.057 108.800 0.014 0.000 2.599 1163 G HA2 0.406 4.355 3.960 -0.017 0.000 0.264 1163 G HA3 0.406 4.355 3.960 -0.017 0.000 0.264 1163 G C -0.123 174.779 174.900 0.003 0.000 1.200 1163 G CA -0.391 44.721 45.100 0.021 0.000 0.896 1163 G HN 0.093 nan 8.290 nan 0.000 0.536 1164 Q N -0.933 118.862 119.800 -0.008 0.000 2.337 1164 Q HA 0.487 4.817 4.340 -0.017 0.000 0.266 1164 Q C -1.188 174.770 176.000 -0.069 0.000 1.023 1164 Q CA -0.741 55.038 55.803 -0.040 0.000 0.829 1164 Q CB 2.894 31.603 28.738 -0.047 0.000 1.306 1164 Q HN 0.247 nan 8.270 nan 0.000 0.449 1165 V N 4.226 124.091 119.914 -0.082 0.000 2.325 1165 V HA 0.343 4.452 4.120 -0.017 0.000 0.280 1165 V C -0.569 175.441 176.094 -0.141 0.000 1.016 1165 V CA -0.491 61.752 62.300 -0.094 0.000 0.818 1165 V CB 0.875 32.662 31.823 -0.059 0.000 1.019 1165 V HN 0.605 nan 8.190 nan 0.000 0.434 1166 L N 4.510 125.598 121.223 -0.226 0.000 2.277 1166 L HA 0.493 4.822 4.340 -0.017 0.000 0.284 1166 L C -0.007 176.748 176.870 -0.192 0.000 1.028 1166 L CA -0.162 54.466 54.840 -0.354 0.000 0.835 1166 L CB 1.249 42.806 42.059 -0.837 0.000 1.215 1166 L HN 0.563 nan 8.230 nan 0.000 0.425 1167 C N 1.669 120.937 119.300 -0.054 0.000 2.403 1167 C HA 0.177 4.627 4.460 -0.017 0.000 0.361 1167 C C 1.265 176.347 174.990 0.153 0.000 1.274 1167 C CA -0.358 58.674 59.018 0.025 0.000 2.433 1167 C CB 0.365 28.104 27.740 -0.002 0.000 2.323 1167 C HN 1.049 nan 8.230 nan 0.000 0.614 1168 N N -0.221 118.529 118.700 0.084 0.000 2.725 1168 N HA -0.191 4.538 4.740 -0.017 0.000 0.249 1168 N C -1.000 174.535 175.510 0.041 0.000 1.103 1168 N CA 0.546 53.628 53.050 0.053 0.000 0.707 1168 N CB -1.360 37.145 38.487 0.030 0.000 1.043 1168 N HN 0.778 nan 8.380 nan 0.000 0.553 1169 H N -0.175 118.861 119.070 -0.057 0.000 2.439 1169 H HA 0.220 4.765 4.556 -0.017 0.000 0.230 1169 H C -0.381 174.902 175.328 -0.074 0.000 1.420 1169 H CA -0.633 55.378 56.048 -0.062 0.000 1.305 1169 H CB 0.239 29.933 29.762 -0.112 0.000 1.667 1169 H HN 0.280 nan 8.280 nan 0.000 0.515 1170 E N 1.436 121.630 120.200 -0.010 0.000 2.465 1170 E HA 0.250 4.590 4.350 -0.017 0.000 0.260 1170 E C -0.076 176.517 176.600 -0.013 0.000 0.980 1170 E CA -0.392 55.987 56.400 -0.035 0.000 0.927 1170 E CB 0.585 30.250 29.700 -0.057 0.000 0.934 1170 E HN 0.567 nan 8.360 nan 0.000 0.459 1171 A N 5.698 128.509 122.820 -0.015 0.000 2.438 1171 A HA 0.134 4.444 4.320 -0.017 0.000 0.280 1171 A C 0.656 178.249 177.584 0.015 0.000 1.160 1171 A CA -0.096 51.947 52.037 0.010 0.000 0.821 1171 A CB 0.085 19.085 19.000 0.001 0.000 1.101 1171 A HN 0.835 nan 8.150 nan 0.000 0.515 1172 L N 1.228 122.468 121.223 0.028 0.000 2.357 1172 L HA 0.209 4.539 4.340 -0.017 0.000 0.211 1172 L C 0.640 177.536 176.870 0.043 0.000 1.075 1172 L CA 0.731 55.587 54.840 0.028 0.000 0.830 1172 L CB 0.019 42.089 42.059 0.019 0.000 0.996 1172 L HN 0.708 nan 8.230 nan 0.000 0.467 1173 E N -0.041 120.193 120.200 0.056 0.000 2.383 1173 E HA 0.610 4.950 4.350 -0.017 0.000 0.275 1173 E C -1.212 175.447 176.600 0.099 0.000 0.918 1173 E CA -0.512 55.931 56.400 0.071 0.000 0.764 1173 E CB 3.149 32.885 29.700 0.061 0.000 1.252 1173 E HN -0.038 nan 8.360 nan 0.000 0.449 1174 I N 1.688 122.335 120.570 0.129 0.000 2.571 1174 I HA 0.474 4.634 4.170 -0.017 0.000 0.289 1174 I C -0.745 175.541 176.117 0.281 0.000 1.115 1174 I CA -0.614 60.807 61.300 0.201 0.000 1.045 1174 I CB 2.044 40.141 38.000 0.161 0.000 1.238 1174 I HN 0.287 nan 8.210 nan 0.000 0.424 1175 R N 3.985 124.685 120.500 0.333 0.000 2.651 1175 R HA 0.537 4.866 4.340 -0.017 0.000 0.278 1175 R C -1.100 175.296 176.300 0.160 0.000 1.010 1175 R CA -0.991 55.260 56.100 0.251 0.000 0.896 1175 R CB 2.350 32.720 30.300 0.117 0.000 1.211 1175 R HN 0.549 nan 8.270 nan 0.000 0.456 1176 R N 2.745 123.160 120.500 -0.141 0.000 2.210 1176 R HA 0.330 4.659 4.340 -0.017 0.000 0.338 1176 R C -1.499 174.663 176.300 -0.230 0.000 1.062 1176 R CA -0.025 55.771 56.100 -0.506 0.000 0.902 1176 R CB 0.820 30.597 30.300 -0.871 0.000 1.050 1176 R HN 0.280 nan 8.270 nan 0.000 0.461 1177 V N 5.063 124.881 119.914 -0.159 0.000 2.482 1177 V HA 0.222 4.331 4.120 -0.017 0.000 0.295 1177 V C -0.690 175.355 176.094 -0.081 0.000 1.026 1177 V CA -0.913 61.336 62.300 -0.085 0.000 0.856 1177 V CB 1.818 33.622 31.823 -0.031 0.000 1.001 1177 V HN 0.923 nan 8.190 nan 0.000 0.424 1178 D N 4.186 124.541 120.400 -0.075 0.000 2.689 1178 D HA -0.186 4.444 4.640 -0.017 0.000 0.237 1178 D C 1.285 177.543 176.300 -0.069 0.000 1.148 1178 D CA 1.800 55.764 54.000 -0.059 0.000 0.656 1178 D CB -0.973 39.804 40.800 -0.037 0.000 1.050 1178 D HN 1.528 nan 8.370 nan 0.000 0.426 1179 G N -1.713 107.023 108.800 -0.106 0.000 2.143 1179 G HA2 0.025 3.975 3.960 -0.017 0.000 0.249 1179 G HA3 0.025 3.975 3.960 -0.017 0.000 0.249 1179 G C 0.297 175.134 174.900 -0.105 0.000 0.981 1179 G CA 0.623 45.661 45.100 -0.103 0.000 0.665 1179 G HN 1.367 nan 8.290 nan 0.000 0.528 1180 A N -1.336 121.407 122.820 -0.129 0.000 2.556 1180 A HA 0.716 5.025 4.320 -0.017 0.000 0.294 1180 A C -0.694 176.808 177.584 -0.136 0.000 1.091 1180 A CA -0.736 51.256 52.037 -0.075 0.000 0.704 1180 A CB 0.849 19.860 19.000 0.018 0.000 1.300 1180 A HN 0.725 nan 8.150 nan 0.000 0.406 1181 W N 0.815 122.159 121.300 0.074 0.000 2.266 1181 W HA 0.500 5.150 4.660 -0.017 0.000 0.317 1181 W C 0.665 177.228 176.519 0.074 0.000 1.310 1181 W CA 0.500 57.896 57.345 0.085 0.000 1.207 1181 W CB 0.771 30.296 29.460 0.108 0.000 1.199 1181 W HN 0.735 nan 8.180 nan 0.000 0.544 1182 E N 2.708 123.102 120.200 0.324 0.000 2.191 1182 E HA 0.421 4.760 4.350 -0.017 0.000 0.263 1182 E C -1.538 175.195 176.600 0.220 0.000 0.881 1182 E CA -0.572 55.955 56.400 0.211 0.000 0.757 1182 E CB 1.319 31.088 29.700 0.115 0.000 1.147 1182 E HN 0.205 nan 8.360 nan 0.000 0.414 1183 V N 5.212 125.252 119.914 0.211 0.000 2.370 1183 V HA 0.376 4.485 4.120 -0.017 0.000 0.283 1183 V C 0.178 176.381 176.094 0.182 0.000 1.023 1183 V CA -0.658 61.753 62.300 0.186 0.000 0.857 1183 V CB 1.360 33.284 31.823 0.168 0.000 0.985 1183 V HN 0.625 nan 8.190 nan 0.000 0.443 1184 R N 3.470 124.042 120.500 0.120 0.000 2.221 1184 R HA 0.531 4.861 4.340 -0.017 0.000 0.327 1184 R C -0.759 175.601 176.300 0.100 0.000 1.033 1184 R CA -0.275 55.877 56.100 0.086 0.000 0.887 1184 R CB 0.665 30.981 30.300 0.028 0.000 1.057 1184 R HN 0.823 nan 8.270 nan 0.000 0.455 1185 C N 2.150 121.533 119.300 0.138 0.000 2.423 1185 C HA 0.197 4.646 4.460 -0.017 0.000 0.378 1185 C C 1.412 176.414 174.990 0.020 0.000 1.244 1185 C CA -0.617 58.452 59.018 0.084 0.000 1.978 1185 C CB 1.414 29.245 27.740 0.151 0.000 2.252 1185 C HN 0.929 nan 8.230 nan 0.000 0.526 1186 D N 0.418 120.792 120.400 -0.044 0.000 2.264 1186 D HA -0.021 4.609 4.640 -0.017 0.000 0.208 1186 D C 1.245 177.529 176.300 -0.027 0.000 0.966 1186 D CA 1.385 55.359 54.000 -0.045 0.000 0.864 1186 D CB -0.135 40.625 40.800 -0.068 0.000 0.933 1186 D HN 0.549 nan 8.370 nan 0.000 0.499 1187 A N -0.768 122.033 122.820 -0.032 0.000 2.288 1187 A HA 0.667 4.976 4.320 -0.017 0.000 0.216 1187 A C 1.037 178.664 177.584 0.073 0.000 1.199 1187 A CA 0.348 52.400 52.037 0.026 0.000 0.891 1187 A CB 0.521 19.526 19.000 0.007 0.000 0.923 1187 A HN 0.471 nan 8.150 nan 0.000 0.500 1188 G N -1.733 107.104 108.800 0.060 0.000 2.356 1188 G HA2 0.463 4.413 3.960 -0.017 0.000 0.294 1188 G HA3 0.463 4.413 3.960 -0.017 0.000 0.294 1188 G C -1.112 173.771 174.900 -0.029 0.000 1.423 1188 G CA -0.042 45.069 45.100 0.018 0.000 0.806 1188 G HN 0.225 nan 8.290 nan 0.000 0.527 1189 S N -1.094 114.510 115.700 -0.160 0.000 2.664 1189 S HA 0.839 5.298 4.470 -0.017 0.000 0.304 1189 S C -1.495 172.867 174.600 -0.397 0.000 1.099 1189 S CA -0.388 57.746 58.200 -0.110 0.000 1.003 1189 S CB 1.341 64.497 63.200 -0.073 0.000 1.092 1189 S HN 0.453 nan 8.310 nan 0.000 0.525 1190 Y N 0.472 120.809 120.300 0.061 0.000 2.425 1190 Y HA 0.584 5.124 4.550 -0.017 0.000 0.344 1190 Y C 0.240 176.184 175.900 0.073 0.000 0.969 1190 Y CA -0.871 57.268 58.100 0.065 0.000 1.052 1190 Y CB 1.618 40.114 38.460 0.059 0.000 1.215 1190 Y HN 0.388 nan 8.280 nan 0.000 0.451 1191 R N 1.920 122.526 120.500 0.177 0.000 2.575 1191 R HA 0.932 5.262 4.340 -0.017 0.000 0.293 1191 R C -1.372 175.006 176.300 0.130 0.000 0.983 1191 R CA -1.031 55.154 56.100 0.142 0.000 0.887 1191 R CB 2.237 32.584 30.300 0.078 0.000 1.184 1191 R HN 0.752 nan 8.270 nan 0.000 0.445 1192 A N 0.819 123.730 122.820 0.152 0.000 2.612 1192 A HA 0.644 4.954 4.320 -0.017 0.000 0.293 1192 A C -0.034 177.652 177.584 0.170 0.000 1.075 1192 A CA -0.249 51.858 52.037 0.117 0.000 0.680 1192 A CB 1.352 20.410 19.000 0.097 0.000 1.279 1192 A HN 0.728 nan 8.150 nan 0.000 0.411 1193 A N 0.031 122.924 122.820 0.122 0.000 2.015 1193 A HA 0.379 4.688 4.320 -0.017 0.000 0.219 1193 A C 0.698 178.480 177.584 0.329 0.000 1.163 1193 A CA 1.775 53.913 52.037 0.169 0.000 0.646 1193 A CB -0.315 18.749 19.000 0.106 0.000 0.806 1193 A HN 1.229 nan 8.150 nan 0.000 0.448 1194 V N 0.310 120.409 119.914 0.308 0.000 2.495 1194 V HA 0.450 4.560 4.120 -0.017 0.000 0.298 1194 V C -0.832 175.389 176.094 0.213 0.000 1.031 1194 V CA -0.618 61.893 62.300 0.351 0.000 0.871 1194 V CB 1.515 33.555 31.823 0.363 0.000 0.988 1194 V HN 0.341 nan 8.190 nan 0.000 0.432 1195 L N 6.607 127.852 121.223 0.037 0.000 2.276 1195 L HA 0.591 4.921 4.340 -0.017 0.000 0.286 1195 L C -0.391 176.232 176.870 -0.411 0.000 1.024 1195 L CA 0.055 54.721 54.840 -0.289 0.000 0.826 1195 L CB 1.546 43.166 42.059 -0.732 0.000 1.211 1195 L HN 0.463 nan 8.230 nan 0.000 0.422 1196 V N 4.907 124.651 119.914 -0.283 0.000 2.333 1196 V HA 0.335 4.445 4.120 -0.017 0.000 0.274 1196 V C 0.147 176.045 176.094 -0.326 0.000 1.028 1196 V CA -0.680 61.461 62.300 -0.265 0.000 0.851 1196 V CB 0.977 32.700 31.823 -0.166 0.000 1.000 1196 V HN 0.755 nan 8.190 nan 0.000 0.456 1197 N N 4.499 122.915 118.700 -0.474 0.000 2.482 1197 N HA 0.390 5.119 4.740 -0.017 0.000 0.242 1197 N C 0.211 175.645 175.510 -0.127 0.000 1.100 1197 N CA -0.088 52.718 53.050 -0.406 0.000 0.946 1197 N CB 1.290 39.336 38.487 -0.735 0.000 1.227 1197 N HN 0.770 nan 8.380 nan 0.000 0.508 1198 A N 2.614 125.399 122.820 -0.059 0.000 2.749 1198 A HA 0.528 4.837 4.320 -0.017 0.000 0.299 1198 A C 0.866 178.484 177.584 0.056 0.000 1.105 1198 A CA -0.326 51.721 52.037 0.016 0.000 0.987 1198 A CB -0.189 18.813 19.000 0.004 0.000 1.180 1198 A HN 0.573 nan 8.150 nan 0.000 0.528 1199 A N -0.466 122.406 122.820 0.086 0.000 2.411 1199 A HA 0.507 4.817 4.320 -0.017 0.000 0.251 1199 A C 1.554 179.300 177.584 0.270 0.000 1.317 1199 A CA 0.924 53.050 52.037 0.149 0.000 0.904 1199 A CB -1.057 18.032 19.000 0.148 0.000 0.993 1199 A HN 2.044 nan 8.150 nan 0.000 0.504 1200 G N -0.186 108.731 108.800 0.196 0.000 2.583 1200 G HA2 -0.112 3.838 3.960 -0.017 0.000 0.292 1200 G HA3 -0.112 3.838 3.960 -0.017 0.000 0.292 1200 G C 1.387 176.359 174.900 0.120 0.000 1.203 1200 G CA 0.804 46.011 45.100 0.179 0.000 0.987 1200 G HN 1.509 nan 8.290 nan 0.000 0.554 1201 A N -1.117 121.698 122.820 -0.007 0.000 2.178 1201 A HA 0.079 4.388 4.320 -0.017 0.000 0.218 1201 A C 1.811 179.193 177.584 -0.336 0.000 1.157 1201 A CA 1.982 53.835 52.037 -0.306 0.000 0.689 1201 A CB -0.454 18.130 19.000 -0.694 0.000 0.787 1201 A HN 0.702 nan 8.150 nan 0.000 0.465 1202 W N -1.631 119.675 121.300 0.010 0.000 3.316 1202 W HA 0.096 4.745 4.660 -0.018 0.000 0.327 1202 W C 1.300 177.863 176.519 0.073 0.000 1.232 1202 W CA -0.627 56.736 57.345 0.030 0.000 1.805 1202 W CB -0.556 28.902 29.460 -0.003 0.000 1.090 1202 W HN 0.331 nan 8.180 nan 0.000 0.654 1203 C N 0.291 119.748 119.300 0.262 0.000 2.413 1203 C HA -0.201 4.248 4.460 -0.017 0.000 0.277 1203 C C 2.139 177.357 174.990 0.380 0.000 1.265 1203 C CA 1.210 60.413 59.018 0.310 0.000 1.752 1203 C CB -0.975 27.004 27.740 0.398 0.000 1.998 1203 C HN 0.251 nan 8.230 nan 0.000 0.489 1204 D N 0.566 121.159 120.400 0.322 0.000 2.224 1204 D HA -0.002 4.627 4.640 -0.017 0.000 0.205 1204 D C 2.233 178.664 176.300 0.217 0.000 0.965 1204 D CA 1.284 55.470 54.000 0.309 0.000 0.852 1204 D CB -0.378 40.533 40.800 0.185 0.000 0.947 1204 D HN 0.486 nan 8.370 nan 0.000 0.494 1205 A N 0.918 123.857 122.820 0.197 0.000 1.902 1205 A HA -0.144 4.166 4.320 -0.017 0.000 0.217 1205 A C 2.089 179.768 177.584 0.159 0.000 1.181 1205 A CA 0.794 52.942 52.037 0.185 0.000 0.623 1205 A CB -0.416 18.740 19.000 0.261 0.000 0.818 1205 A HN 0.113 nan 8.150 nan 0.000 0.443 1206 I N 0.068 120.736 120.570 0.165 0.000 2.226 1206 I HA -0.225 3.934 4.170 -0.017 0.000 0.245 1206 I C 2.953 179.128 176.117 0.096 0.000 1.100 1206 I CA 1.371 62.736 61.300 0.109 0.000 1.374 1206 I CB -1.652 36.390 38.000 0.070 0.000 1.057 1206 I HN 0.362 nan 8.210 nan 0.000 0.413 1207 A N 0.958 123.838 122.820 0.100 0.000 1.940 1207 A HA -0.146 4.164 4.320 -0.017 0.000 0.219 1207 A C 2.499 180.065 177.584 -0.030 0.000 1.176 1207 A CA 1.985 53.985 52.037 -0.061 0.000 0.631 1207 A CB -1.341 17.704 19.000 0.075 0.000 0.814 1207 A HN 0.444 nan 8.150 nan 0.000 0.446 1208 G N -0.354 108.481 108.800 0.058 0.000 2.422 1208 G HA2 -0.112 3.838 3.960 -0.017 0.000 0.218 1208 G HA3 -0.112 3.838 3.960 -0.017 0.000 0.218 1208 G C 1.507 176.437 174.900 0.051 0.000 1.140 1208 G CA 0.914 46.048 45.100 0.055 0.000 0.775 1208 G HN 0.449 nan 8.290 nan 0.000 0.545 1209 L N 0.473 121.733 121.223 0.061 0.000 2.083 1209 L HA -0.043 4.287 4.340 -0.017 0.000 0.209 1209 L C 3.161 180.079 176.870 0.079 0.000 1.083 1209 L CA 1.088 55.969 54.840 0.069 0.000 0.752 1209 L CB -0.279 41.824 42.059 0.073 0.000 0.899 1209 L HN 0.318 nan 8.230 nan 0.000 0.433 1210 A N -0.623 122.223 122.820 0.044 0.000 2.218 1210 A HA 0.288 4.597 4.320 -0.017 0.000 0.209 1210 A C 1.703 179.338 177.584 0.085 0.000 1.168 1210 A CA 0.696 52.778 52.037 0.074 0.000 0.804 1210 A CB -0.274 18.629 19.000 -0.162 0.000 0.834 1210 A HN 0.505 nan 8.150 nan 0.000 0.482 1211 G N -1.132 107.681 108.800 0.022 0.000 2.160 1211 G HA2 -0.163 3.786 3.960 -0.017 0.000 0.244 1211 G HA3 -0.163 3.786 3.960 -0.017 0.000 0.244 1211 G C 0.005 174.890 174.900 -0.025 0.000 1.022 1211 G CA 0.253 45.368 45.100 0.026 0.000 0.741 1211 G HN 0.816 nan 8.290 nan 0.000 0.508 1212 V N 0.385 120.210 119.914 -0.148 0.000 2.483 1212 V HA 0.489 4.598 4.120 -0.017 0.000 0.295 1212 V C 1.139 177.203 176.094 -0.051 0.000 1.035 1212 V CA -0.983 61.183 62.300 -0.223 0.000 0.896 1212 V CB 1.706 33.059 31.823 -0.783 0.000 0.986 1212 V HN 0.498 nan 8.190 nan 0.000 0.447 1213 R N 6.157 126.677 120.500 0.034 0.000 2.484 1213 R HA 0.166 4.495 4.340 -0.017 0.000 0.293 1213 R C -2.171 174.239 176.300 0.184 0.000 1.023 1213 R CA -0.838 55.313 56.100 0.084 0.000 1.037 1213 R CB 0.614 30.952 30.300 0.065 0.000 0.951 1213 R HN 0.512 nan 8.270 nan 0.000 0.418 1214 P HA 0.034 nan 4.420 nan 0.000 0.277 1214 P C 0.212 177.484 177.300 -0.046 0.000 1.271 1214 P CA -0.210 63.006 63.100 0.194 0.000 0.795 1214 P CB 0.687 32.477 31.700 0.149 0.000 1.101 1215 L N -1.142 119.928 121.223 -0.255 0.000 2.446 1215 L HA 0.202 4.532 4.340 -0.017 0.000 0.219 1215 L C 1.434 178.195 176.870 -0.182 0.000 1.116 1215 L CA 0.879 55.496 54.840 -0.372 0.000 0.844 1215 L CB -0.825 40.841 42.059 -0.654 0.000 0.970 1215 L HN 0.742 nan 8.230 nan 0.000 0.457 1216 G N 1.443 110.186 108.800 -0.096 0.000 2.203 1216 G HA2 -0.258 3.691 3.960 -0.017 0.000 0.231 1216 G HA3 -0.258 3.691 3.960 -0.017 0.000 0.231 1216 G C -0.192 174.682 174.900 -0.044 0.000 1.058 1216 G CA -0.239 44.829 45.100 -0.053 0.000 0.781 1216 G HN 0.145 nan 8.290 nan 0.000 0.496 1217 L N 0.196 121.393 121.223 -0.043 0.000 2.499 1217 L HA 0.595 4.924 4.340 -0.017 0.000 0.273 1217 L C 0.389 177.257 176.870 -0.003 0.000 1.195 1217 L CA 0.140 54.967 54.840 -0.021 0.000 0.882 1217 L CB 1.204 43.255 42.059 -0.014 0.000 1.133 1217 L HN 0.357 nan 8.230 nan 0.000 0.483 1218 Q N 6.897 126.715 119.800 0.029 0.000 2.413 1218 Q HA 0.513 4.843 4.340 -0.017 0.000 0.258 1218 Q C -2.586 173.451 176.000 0.060 0.000 1.037 1218 Q CA -2.164 53.662 55.803 0.039 0.000 0.764 1218 Q CB 1.542 30.311 28.738 0.052 0.000 1.217 1218 Q HN 0.359 nan 8.270 nan 0.000 0.490 1219 P HA 0.159 nan 4.420 nan 0.000 0.271 1219 P C -1.261 176.065 177.300 0.044 0.000 1.216 1219 P CA -0.084 63.003 63.100 -0.022 0.000 0.776 1219 P CB 0.675 32.300 31.700 -0.126 0.000 0.881 1220 K N 2.165 122.616 120.400 0.084 0.000 2.471 1220 K HA 0.367 4.676 4.320 -0.017 0.000 0.252 1220 K C -0.353 176.295 176.600 0.080 0.000 0.938 1220 K CA -0.855 55.493 56.287 0.102 0.000 0.796 1220 K CB 2.608 35.206 32.500 0.164 0.000 1.161 1220 K HN 0.333 nan 8.250 nan 0.000 0.425 1221 R N 2.693 123.229 120.500 0.061 0.000 2.442 1221 R HA 0.163 4.492 4.340 -0.017 0.000 0.291 1221 R C -0.588 175.745 176.300 0.054 0.000 1.069 1221 R CA 0.014 56.145 56.100 0.052 0.000 1.022 1221 R CB 0.663 30.997 30.300 0.057 0.000 0.976 1221 R HN 0.561 nan 8.270 nan 0.000 0.443 1222 R N 2.432 122.963 120.500 0.052 0.000 2.532 1222 R HA 0.289 4.619 4.340 -0.017 0.000 0.297 1222 R C -1.284 175.006 176.300 -0.016 0.000 0.984 1222 R CA -0.444 55.676 56.100 0.033 0.000 0.884 1222 R CB 1.844 32.187 30.300 0.071 0.000 1.182 1222 R HN 0.647 nan 8.270 nan 0.000 0.442 1223 S N 1.526 117.185 115.700 -0.068 0.000 2.651 1223 S HA 0.881 5.341 4.470 -0.017 0.000 0.291 1223 S C -0.958 173.462 174.600 -0.299 0.000 1.141 1223 S CA -0.475 57.632 58.200 -0.154 0.000 1.027 1223 S CB 1.842 64.997 63.200 -0.074 0.000 1.043 1223 S HN 0.749 nan 8.310 nan 0.000 0.530 1224 A N 1.310 123.776 122.820 -0.591 0.000 2.593 1224 A HA 0.933 5.243 4.320 -0.017 0.000 0.290 1224 A C -1.580 175.549 177.584 -0.759 0.000 1.126 1224 A CA -0.867 50.702 52.037 -0.780 0.000 0.695 1224 A CB 1.055 19.479 19.000 -0.961 0.000 1.290 1224 A HN 0.937 nan 8.150 nan 0.000 0.414 1225 F N -0.983 118.650 119.950 -0.527 0.000 2.668 1225 F HA 0.812 5.330 4.527 -0.017 0.000 0.309 1225 F C -1.351 174.507 175.800 0.096 0.000 1.117 1225 F CA -1.204 56.682 58.000 -0.191 0.000 0.951 1225 F CB 1.179 40.144 39.000 -0.059 0.000 1.323 1225 F HN 0.358 nan 8.300 nan 0.000 0.451 1226 I N 3.327 124.161 120.570 0.439 0.000 2.404 1226 I HA 0.557 4.717 4.170 -0.017 0.000 0.293 1226 I C -0.868 175.544 176.117 0.491 0.000 0.992 1226 I CA -0.688 60.852 61.300 0.400 0.000 1.149 1226 I CB 1.513 39.789 38.000 0.460 0.000 1.315 1226 I HN 0.818 nan 8.210 nan 0.000 0.446 1227 F N 3.414 123.498 119.950 0.223 0.000 2.643 1227 F HA 0.893 5.409 4.527 -0.018 0.000 0.314 1227 F C -0.459 175.412 175.800 0.118 0.000 1.096 1227 F CA -1.222 56.887 58.000 0.181 0.000 0.953 1227 F CB 1.271 40.406 39.000 0.225 0.000 1.345 1227 F HN 0.425 nan 8.300 nan 0.000 0.468 1228 A N 2.649 125.579 122.820 0.183 0.000 2.363 1228 A HA 0.682 4.992 4.320 -0.017 0.000 0.270 1228 A C -2.512 175.116 177.584 0.072 0.000 1.121 1228 A CA -1.590 50.477 52.037 0.050 0.000 0.800 1228 A CB -0.415 18.633 19.000 0.080 0.000 1.052 1228 A HN 0.599 nan 8.150 nan 0.000 0.493 1229 P HA 0.336 nan 4.420 nan 0.000 0.274 1229 P C -2.669 174.669 177.300 0.064 0.000 1.231 1229 P CA -1.206 61.901 63.100 0.011 0.000 0.790 1229 P CB -0.298 31.337 31.700 -0.107 0.000 0.951 1230 P HA 0.234 nan 4.420 nan 0.000 0.270 1230 P C -2.341 174.987 177.300 0.046 0.000 1.223 1230 P CA -1.141 62.007 63.100 0.080 0.000 0.785 1230 P CB -1.345 30.411 31.700 0.094 0.000 0.923 1231 P HA 0.056 nan 4.420 nan 0.000 0.264 1231 P C 0.999 178.316 177.300 0.028 0.000 1.183 1231 P CA 1.295 64.410 63.100 0.024 0.000 0.763 1231 P CB 0.009 31.723 31.700 0.023 0.000 0.807 1232 G N 2.395 111.206 108.800 0.019 0.000 2.199 1232 G HA2 -0.205 3.745 3.960 -0.017 0.000 0.254 1232 G HA3 -0.205 3.745 3.960 -0.017 0.000 0.254 1232 G C 0.121 175.043 174.900 0.036 0.000 0.982 1232 G CA -0.438 44.678 45.100 0.026 0.000 0.632 1232 G HN 0.493 nan 8.290 nan 0.000 0.529 1233 I N 1.858 122.446 120.570 0.030 0.000 2.304 1233 I HA 0.312 4.472 4.170 -0.017 0.000 0.291 1233 I C -0.531 175.548 176.117 -0.065 0.000 1.018 1233 I CA -0.721 60.600 61.300 0.036 0.000 1.260 1233 I CB 1.285 39.331 38.000 0.076 0.000 1.390 1233 I HN 0.051 nan 8.210 nan 0.000 0.475 1234 D N 6.761 127.124 120.400 -0.061 0.000 2.467 1234 D HA 0.168 4.798 4.640 -0.017 0.000 0.220 1234 D C 0.778 176.871 176.300 -0.346 0.000 1.103 1234 D CA -0.424 53.502 54.000 -0.124 0.000 0.886 1234 D CB 0.763 41.553 40.800 -0.016 0.000 1.025 1234 D HN 0.639 nan 8.370 nan 0.000 0.514 1235 C N 3.183 122.076 119.300 -0.677 0.000 2.780 1235 C HA 0.238 4.688 4.460 -0.017 0.000 0.287 1235 C C 2.117 176.602 174.990 -0.841 0.000 1.288 1235 C CA -0.565 57.531 59.018 -1.537 0.000 1.713 1235 C CB -1.542 25.027 27.740 -1.952 0.000 1.955 1235 C HN 0.738 nan 8.230 nan 0.000 0.613 1236 H N 0.739 119.552 119.070 -0.429 0.000 2.457 1236 H HA -0.058 4.488 4.556 -0.017 0.000 0.294 1236 H C 0.283 175.540 175.328 -0.119 0.000 1.064 1236 H CA 1.771 57.682 56.048 -0.228 0.000 1.330 1236 H CB -0.201 29.474 29.762 -0.145 0.000 1.395 1236 H HN 0.349 nan 8.280 nan 0.000 0.541 1237 D N -0.008 120.052 120.400 -0.568 0.000 2.368 1237 D HA 0.039 4.668 4.640 -0.017 0.000 0.218 1237 D C -0.004 176.334 176.300 0.064 0.000 1.112 1237 D CA -0.306 53.499 54.000 -0.324 0.000 0.834 1237 D CB -0.280 40.286 40.800 -0.391 0.000 0.953 1237 D HN 0.248 nan 8.370 nan 0.000 0.505 1238 W N 2.906 124.166 121.300 -0.067 0.000 2.148 1238 W HA 0.167 4.816 4.660 -0.018 0.000 0.347 1238 W C -1.654 174.876 176.519 0.019 0.000 1.288 1238 W CA -2.239 55.104 57.345 -0.003 0.000 1.252 1238 W CB -0.753 28.718 29.460 0.018 0.000 1.156 1238 W HN -0.060 nan 8.180 nan 0.000 0.580 1239 P HA 0.044 nan 4.420 nan 0.000 0.274 1239 P C -0.370 176.992 177.300 0.104 0.000 1.256 1239 P CA -0.461 62.735 63.100 0.159 0.000 0.795 1239 P CB 0.573 32.375 31.700 0.170 0.000 1.038 1240 M N 1.587 121.169 119.600 -0.029 0.000 2.303 1240 M HA 0.148 4.618 4.480 -0.017 0.000 0.350 1240 M C -0.959 175.289 176.300 -0.086 0.000 1.518 1240 M CA 0.082 55.285 55.300 -0.161 0.000 1.070 1240 M CB -1.071 31.190 32.600 -0.564 0.000 1.910 1240 M HN 0.202 nan 8.290 nan 0.000 0.458 1241 L N 7.542 128.758 121.223 -0.011 0.000 2.287 1241 L HA 0.784 5.113 4.340 -0.017 0.000 0.287 1241 L C -1.533 175.310 176.870 -0.044 0.000 1.022 1241 L CA -0.306 54.542 54.840 0.014 0.000 0.814 1241 L CB 1.402 43.523 42.059 0.104 0.000 1.217 1241 L HN 0.606 nan 8.230 nan 0.000 0.420 1242 V N 3.336 123.194 119.914 -0.094 0.000 2.656 1242 V HA 0.593 4.702 4.120 -0.017 0.000 0.307 1242 V C -0.012 176.003 176.094 -0.131 0.000 1.051 1242 V CA -0.599 61.612 62.300 -0.147 0.000 0.893 1242 V CB 2.014 33.763 31.823 -0.123 0.000 0.999 1242 V HN 0.889 nan 8.190 nan 0.000 0.426 1243 S N 3.299 118.858 115.700 -0.235 0.000 2.580 1243 S HA 0.321 4.780 4.470 -0.017 0.000 0.274 1243 S C 0.877 175.522 174.600 0.074 0.000 1.329 1243 S CA -0.484 57.755 58.200 0.066 0.000 1.036 1243 S CB 1.196 64.490 63.200 0.158 0.000 0.919 1243 S HN 0.694 nan 8.310 nan 0.000 0.515 1244 L N 1.116 122.404 121.223 0.108 0.000 2.127 1244 L HA -0.095 4.235 4.340 -0.017 0.000 0.211 1244 L C 1.503 178.424 176.870 0.085 0.000 1.089 1244 L CA 2.092 56.977 54.840 0.075 0.000 0.757 1244 L CB -0.686 41.410 42.059 0.062 0.000 0.899 1244 L HN 0.938 nan 8.230 nan 0.000 0.434 1245 D N -1.631 118.832 120.400 0.105 0.000 2.388 1245 D HA -0.047 4.583 4.640 -0.017 0.000 0.221 1245 D C 0.592 176.948 176.300 0.093 0.000 1.133 1245 D CA -0.043 54.012 54.000 0.091 0.000 0.831 1245 D CB -0.490 40.365 40.800 0.091 0.000 0.962 1245 D HN 0.468 nan 8.370 nan 0.000 0.502 1246 E N -0.097 120.159 120.200 0.094 0.000 2.440 1246 E HA -0.284 4.055 4.350 -0.017 0.000 0.246 1246 E C 0.570 177.229 176.600 0.099 0.000 1.165 1246 E CA 0.644 57.106 56.400 0.104 0.000 0.726 1246 E CB -1.093 28.698 29.700 0.153 0.000 1.271 1246 E HN 0.487 nan 8.360 nan 0.000 0.397 1247 S N -0.633 115.129 115.700 0.104 0.000 2.461 1247 S HA 0.063 4.522 4.470 -0.017 0.000 0.228 1247 S C 0.480 175.220 174.600 0.232 0.000 1.005 1247 S CA 0.807 59.101 58.200 0.157 0.000 0.942 1247 S CB -0.208 63.115 63.200 0.206 0.000 0.776 1247 S HN 0.478 nan 8.310 nan 0.000 0.514 1248 F N -0.679 119.293 119.950 0.037 0.000 2.773 1248 F HA 0.725 5.243 4.527 -0.016 0.000 0.314 1248 F C -1.511 174.340 175.800 0.085 0.000 1.160 1248 F CA -1.921 56.065 58.000 -0.023 0.000 0.920 1248 F CB 0.562 39.533 39.000 -0.048 0.000 1.323 1248 F HN 0.091 nan 8.300 nan 0.000 0.457 1249 Y N 1.141 121.448 120.300 0.012 0.000 2.655 1249 Y HA 0.902 5.442 4.550 -0.016 0.000 0.336 1249 Y C -2.330 173.660 175.900 0.150 0.000 1.154 1249 Y CA -2.136 55.904 58.100 -0.101 0.000 1.055 1249 Y CB 1.647 40.027 38.460 -0.134 0.000 1.295 1249 Y HN 0.967 nan 8.280 nan 0.000 0.465 1250 L N 2.293 123.749 121.223 0.388 0.000 2.543 1250 L HA 0.663 4.992 4.340 -0.017 0.000 0.265 1250 L C -1.474 175.544 176.870 0.246 0.000 0.945 1250 L CA -0.587 54.457 54.840 0.340 0.000 0.869 1250 L CB 2.084 44.405 42.059 0.437 0.000 1.294 1250 L HN 0.925 nan 8.230 nan 0.000 0.405 1251 K N 5.236 125.749 120.400 0.188 0.000 2.527 1251 K HA 0.693 5.003 4.320 -0.017 0.000 0.260 1251 K C -2.939 173.712 176.600 0.085 0.000 0.937 1251 K CA -1.752 54.609 56.287 0.124 0.000 0.826 1251 K CB 2.710 35.229 32.500 0.031 0.000 1.359 1251 K HN 0.290 nan 8.250 nan 0.000 0.434 1252 P HA 0.092 nan 4.420 nan 0.000 0.268 1252 P C -1.326 175.978 177.300 0.006 0.000 1.205 1252 P CA 0.078 63.174 63.100 -0.008 0.000 0.771 1252 P CB 0.478 32.165 31.700 -0.021 0.000 0.858 1253 D N 2.018 122.406 120.400 -0.021 0.000 2.336 1253 D HA 0.386 5.016 4.640 -0.017 0.000 0.248 1253 D C 0.753 177.043 176.300 -0.017 0.000 1.326 1253 D CA -0.061 53.941 54.000 0.003 0.000 0.973 1253 D CB 0.784 41.604 40.800 0.035 0.000 1.255 1253 D HN 0.375 nan 8.370 nan 0.000 0.558 1254 A N 3.086 125.897 122.820 -0.014 0.000 5.159 1254 A HA -0.303 4.006 4.320 -0.017 0.000 0.362 1254 A C 1.732 179.291 177.584 -0.042 0.000 1.583 1254 A CA 2.247 54.269 52.037 -0.026 0.000 0.689 1254 A CB -1.723 17.254 19.000 -0.038 0.000 1.532 1254 A HN 0.804 nan 8.150 nan 0.000 0.417 1255 G N -2.332 106.432 108.800 -0.060 0.000 2.939 1255 G HA2 0.432 4.381 3.960 -0.017 0.000 0.210 1255 G HA3 0.432 4.381 3.960 -0.017 0.000 0.210 1255 G C 0.612 175.452 174.900 -0.100 0.000 1.160 1255 G CA 0.856 45.908 45.100 -0.080 0.000 0.770 1255 G HN 0.471 nan 8.290 nan 0.000 0.543 1256 M N -0.204 119.338 119.600 -0.095 0.000 2.823 1256 M HA 0.574 5.043 4.480 -0.017 0.000 0.282 1256 M C -0.754 175.412 176.300 -0.224 0.000 1.177 1256 M CA -0.740 54.475 55.300 -0.141 0.000 0.871 1256 M CB 1.155 33.724 32.600 -0.051 0.000 1.595 1256 M HN -0.227 nan 8.290 nan 0.000 0.524 1257 L N 1.080 122.057 121.223 -0.410 0.000 2.346 1257 L HA 0.580 4.910 4.340 -0.017 0.000 0.276 1257 L C -0.917 175.753 176.870 -0.334 0.000 1.006 1257 L CA -0.603 53.949 54.840 -0.480 0.000 0.817 1257 L CB 2.249 43.749 42.059 -0.932 0.000 1.272 1257 L HN 0.485 nan 8.230 nan 0.000 0.421 1258 L N 2.194 123.357 121.223 -0.101 0.000 2.282 1258 L HA 0.800 5.129 4.340 -0.017 0.000 0.288 1258 L C 0.034 176.859 176.870 -0.076 0.000 1.033 1258 L CA -0.052 54.766 54.840 -0.037 0.000 0.807 1258 L CB 1.245 43.353 42.059 0.082 0.000 1.209 1258 L HN 0.661 nan 8.230 nan 0.000 0.423 1259 G N 2.027 110.560 108.800 -0.444 0.000 2.498 1259 G HA2 0.624 4.574 3.960 -0.017 0.000 0.312 1259 G HA3 0.624 4.574 3.960 -0.017 0.000 0.312 1259 G C -1.655 172.631 174.900 -1.022 0.000 1.230 1259 G CA -0.453 44.255 45.100 -0.654 0.000 0.968 1259 G HN 0.585 nan 8.290 nan 0.000 0.481 1260 S N 0.104 115.419 115.700 -0.642 0.000 2.535 1260 S HA 0.639 5.099 4.470 -0.017 0.000 0.272 1260 S C -2.417 172.026 174.600 -0.261 0.000 1.149 1260 S CA -1.006 56.857 58.200 -0.562 0.000 0.888 1260 S CB 2.562 65.142 63.200 -1.033 0.000 1.110 1260 S HN 0.317 nan 8.310 nan 0.000 0.463 1261 P HA 0.206 nan 4.420 nan 0.000 0.245 1261 P C 0.500 177.781 177.300 -0.031 0.000 1.212 1261 P CA 0.946 64.051 63.100 0.008 0.000 0.774 1261 P CB -0.285 31.435 31.700 0.033 0.000 0.999 1262 A N 0.391 123.120 122.820 -0.152 0.000 2.745 1262 A HA -0.205 4.104 4.320 -0.017 0.000 0.296 1262 A C 0.542 178.151 177.584 0.042 0.000 1.500 1262 A CA 0.556 52.573 52.037 -0.034 0.000 0.766 1262 A CB -2.852 16.184 19.000 0.059 0.000 1.030 1262 A HN 0.590 nan 8.150 nan 0.000 0.489 1263 N N -0.347 118.364 118.700 0.018 0.000 2.408 1263 N HA 0.657 5.387 4.740 -0.017 0.000 0.260 1263 N C 0.028 175.566 175.510 0.047 0.000 1.242 1263 N CA -0.179 52.888 53.050 0.029 0.000 0.959 1263 N CB 1.394 39.889 38.487 0.014 0.000 1.201 1263 N HN 1.336 nan 8.380 nan 0.000 0.511 1264 A N 0.107 122.947 122.820 0.034 0.000 3.448 1264 A HA 0.183 4.493 4.320 -0.017 0.000 0.232 1264 A C -1.115 176.481 177.584 0.021 0.000 1.018 1264 A CA -0.761 51.297 52.037 0.036 0.000 0.996 1264 A CB -0.255 18.744 19.000 -0.002 0.000 1.283 1264 A HN 0.597 nan 8.150 nan 0.000 0.586 1265 D N 3.468 123.885 120.400 0.030 0.000 2.317 1265 D HA 0.263 4.892 4.640 -0.017 0.000 0.252 1265 D C -2.453 173.866 176.300 0.032 0.000 1.174 1265 D CA -0.694 53.320 54.000 0.023 0.000 0.866 1265 D CB 1.574 42.389 40.800 0.025 0.000 1.127 1265 D HN 0.277 nan 8.370 nan 0.000 0.467 1266 P HA 0.014 nan 4.420 nan 0.000 0.271 1266 P C -0.300 177.017 177.300 0.028 0.000 1.226 1266 P CA -0.200 62.913 63.100 0.023 0.000 0.765 1266 P CB 1.069 32.774 31.700 0.008 0.000 0.835 1267 V N 0.166 120.102 119.914 0.037 0.000 3.159 1267 V HA 0.513 4.623 4.120 -0.017 0.000 0.308 1267 V C -0.184 175.930 176.094 0.033 0.000 1.190 1267 V CA -1.191 61.142 62.300 0.054 0.000 1.037 1267 V CB 2.033 33.943 31.823 0.145 0.000 1.060 1267 V HN 0.341 nan 8.190 nan 0.000 0.437 1268 E N 1.149 121.365 120.200 0.027 0.000 2.392 1268 E HA 0.493 4.833 4.350 -0.017 0.000 0.259 1268 E C 0.304 176.920 176.600 0.026 0.000 1.108 1268 E CA 0.082 56.481 56.400 -0.002 0.000 0.916 1268 E CB 1.504 31.191 29.700 -0.021 0.000 0.989 1268 E HN 1.124 nan 8.360 nan 0.000 0.432 1269 A N 3.644 126.348 122.820 -0.194 0.000 2.524 1269 A HA 0.149 4.458 4.320 -0.017 0.000 0.250 1269 A C -0.042 177.463 177.584 -0.133 0.000 1.078 1269 A CA 0.251 51.944 52.037 -0.574 0.000 0.761 1269 A CB -0.177 18.047 19.000 -1.293 0.000 1.012 1269 A HN 0.745 nan 8.150 nan 0.000 0.500 1270 H N 0.403 119.384 119.070 -0.147 0.000 2.887 1270 H HA 0.298 4.843 4.556 -0.017 0.000 0.290 1270 H C -1.749 173.819 175.328 0.399 0.000 1.429 1270 H CA -0.917 55.295 56.048 0.274 0.000 1.137 1270 H CB 0.515 30.376 29.762 0.166 0.000 1.824 1270 H HN 0.433 nan 8.280 nan 0.000 0.520 1271 D N 1.626 122.269 120.400 0.405 0.000 2.416 1271 D HA 0.200 4.830 4.640 -0.017 0.000 0.240 1271 D C -0.377 175.948 176.300 0.042 0.000 1.250 1271 D CA -0.020 54.196 54.000 0.360 0.000 0.967 1271 D CB -0.127 40.967 40.800 0.490 0.000 1.059 1271 D HN 0.418 nan 8.370 nan 0.000 0.512 1272 V N 4.053 123.834 119.914 -0.223 0.000 2.583 1272 V HA 0.204 4.313 4.120 -0.017 0.000 0.287 1272 V C -0.123 175.979 176.094 0.014 0.000 1.051 1272 V CA -0.108 62.007 62.300 -0.309 0.000 1.010 1272 V CB 1.199 32.805 31.823 -0.362 0.000 0.988 1272 V HN 0.488 nan 8.190 nan 0.000 0.478 1273 Q N 7.302 127.165 119.800 0.105 0.000 2.257 1273 Q HA 0.511 4.841 4.340 -0.017 0.000 0.262 1273 Q C -2.509 173.554 176.000 0.105 0.000 0.997 1273 Q CA -1.987 53.890 55.803 0.124 0.000 0.873 1273 Q CB 1.820 30.643 28.738 0.141 0.000 1.312 1273 Q HN 0.576 nan 8.270 nan 0.000 0.450 1274 P HA 0.028 nan 4.420 nan 0.000 0.271 1274 P C -0.742 176.587 177.300 0.048 0.000 1.218 1274 P CA -0.009 63.125 63.100 0.058 0.000 0.780 1274 P CB 0.842 32.572 31.700 0.050 0.000 0.901 1275 E N 1.768 121.984 120.200 0.028 0.000 2.216 1275 E HA 0.063 4.402 4.350 -0.017 0.000 0.279 1275 E C 0.966 177.558 176.600 -0.013 0.000 0.997 1275 E CA -0.531 55.878 56.400 0.015 0.000 0.817 1275 E CB 1.519 31.228 29.700 0.015 0.000 1.096 1275 E HN 0.377 nan 8.360 nan 0.000 0.393 1276 Q N 2.454 122.242 119.800 -0.020 0.000 2.112 1276 Q HA -0.191 4.138 4.340 -0.017 0.000 0.206 1276 Q C 1.671 177.631 176.000 -0.066 0.000 0.987 1276 Q CA 1.521 57.296 55.803 -0.048 0.000 0.858 1276 Q CB -0.288 28.424 28.738 -0.042 0.000 0.905 1276 Q HN 0.538 nan 8.270 nan 0.000 0.420 1277 L N 0.536 121.727 121.223 -0.052 0.000 2.131 1277 L HA -0.145 4.184 4.340 -0.017 0.000 0.210 1277 L C 1.240 178.073 176.870 -0.062 0.000 1.092 1277 L CA 2.061 56.863 54.840 -0.063 0.000 0.759 1277 L CB -0.744 41.285 42.059 -0.051 0.000 0.903 1277 L HN 0.208 nan 8.230 nan 0.000 0.435 1278 D N -0.204 120.170 120.400 -0.043 0.000 2.092 1278 D HA -0.194 4.435 4.640 -0.017 0.000 0.193 1278 D C 2.279 178.552 176.300 -0.044 0.000 0.994 1278 D CA 1.600 55.582 54.000 -0.030 0.000 0.828 1278 D CB -0.169 40.622 40.800 -0.015 0.000 0.963 1278 D HN 0.273 nan 8.370 nan 0.000 0.450 1279 I N 1.221 121.737 120.570 -0.090 0.000 2.202 1279 I HA -0.158 4.002 4.170 -0.017 0.000 0.242 1279 I C 2.497 178.432 176.117 -0.303 0.000 1.091 1279 I CA 0.730 61.896 61.300 -0.223 0.000 1.368 1279 I CB -1.446 36.396 38.000 -0.263 0.000 1.058 1279 I HN -0.103 nan 8.210 nan 0.000 0.410 1280 A N 0.536 123.233 122.820 -0.204 0.000 1.908 1280 A HA -0.208 4.101 4.320 -0.017 0.000 0.218 1280 A C 2.451 179.965 177.584 -0.116 0.000 1.181 1280 A CA 2.501 54.434 52.037 -0.175 0.000 0.627 1280 A CB -1.105 17.816 19.000 -0.132 0.000 0.818 1280 A HN 0.429 nan 8.150 nan 0.000 0.445 1281 T N -0.402 114.099 114.554 -0.088 0.000 2.737 1281 T HA -0.017 4.323 4.350 -0.017 0.000 0.265 1281 T C 1.989 176.700 174.700 0.019 0.000 1.038 1281 T CA 1.425 63.500 62.100 -0.041 0.000 1.144 1281 T CB -0.634 68.207 68.868 -0.043 0.000 0.866 1281 T HN 0.589 nan 8.240 nan 0.000 0.434 1282 G N 1.173 109.991 108.800 0.031 0.000 2.418 1282 G HA2 -0.188 3.761 3.960 -0.017 0.000 0.217 1282 G HA3 -0.188 3.761 3.960 -0.017 0.000 0.217 1282 G C 1.576 176.513 174.900 0.062 0.000 1.158 1282 G CA 0.683 45.861 45.100 0.130 0.000 0.771 1282 G HN 0.404 nan 8.290 nan 0.000 0.545 1283 M N -0.944 118.592 119.600 -0.107 0.000 2.117 1283 M HA -0.006 4.463 4.480 -0.017 0.000 0.262 1283 M C 2.368 178.573 176.300 -0.157 0.000 1.065 1283 M CA 1.324 56.495 55.300 -0.215 0.000 1.114 1283 M CB -0.427 31.940 32.600 -0.388 0.000 1.361 1283 M HN 0.336 nan 8.290 nan 0.000 0.408 1284 Y N 1.353 121.525 120.300 -0.213 0.000 2.128 1284 Y HA -0.243 4.296 4.550 -0.018 0.000 0.284 1284 Y C 1.930 177.689 175.900 -0.235 0.000 1.154 1284 Y CA 1.765 59.751 58.100 -0.190 0.000 1.149 1284 Y CB -0.223 38.149 38.460 -0.146 0.000 0.976 1284 Y HN 0.077 nan 8.280 nan 0.000 0.505 1285 L N -0.492 120.647 121.223 -0.140 0.000 2.093 1285 L HA -0.195 4.135 4.340 -0.017 0.000 0.208 1285 L C 2.362 178.772 176.870 -0.767 0.000 1.085 1285 L CA 1.179 55.788 54.840 -0.385 0.000 0.755 1285 L CB -0.456 41.440 42.059 -0.273 0.000 0.904 1285 L HN 0.291 nan 8.230 nan 0.000 0.435 1286 I N -0.350 119.797 120.570 -0.705 0.000 2.315 1286 I HA -0.254 3.905 4.170 -0.017 0.000 0.248 1286 I C 2.328 178.205 176.117 -0.399 0.000 1.117 1286 I CA 1.293 62.208 61.300 -0.641 0.000 1.404 1286 I CB -0.230 37.587 38.000 -0.306 0.000 1.071 1286 I HN 0.268 nan 8.210 nan 0.000 0.419 1287 E N 0.242 120.232 120.200 -0.351 0.000 2.274 1287 E HA -0.234 4.106 4.350 -0.017 0.000 0.194 1287 E C 1.932 178.342 176.600 -0.316 0.000 0.996 1287 E CA 0.734 56.967 56.400 -0.280 0.000 0.840 1287 E CB 0.037 29.578 29.700 -0.264 0.000 0.772 1287 E HN 0.506 nan 8.360 nan 0.000 0.491 1288 E N 0.464 120.405 120.200 -0.433 0.000 2.122 1288 E HA -0.045 4.295 4.350 -0.017 0.000 0.190 1288 E C 1.882 178.323 176.600 -0.266 0.000 0.977 1288 E CA 0.654 56.828 56.400 -0.377 0.000 0.820 1288 E CB 0.090 29.499 29.700 -0.485 0.000 0.770 1288 E HN 0.159 nan 8.360 nan 0.000 0.462 1289 A N 0.541 123.158 122.820 -0.337 0.000 2.067 1289 A HA 0.024 4.334 4.320 -0.017 0.000 0.217 1289 A C 1.257 178.807 177.584 -0.056 0.000 1.156 1289 A CA 1.201 53.091 52.037 -0.245 0.000 0.683 1289 A CB -0.167 18.501 19.000 -0.552 0.000 0.808 1289 A HN 0.402 nan 8.150 nan 0.000 0.455 1290 T N -5.433 109.064 114.554 -0.094 0.000 2.865 1290 T HA 0.408 4.747 4.350 -0.017 0.000 0.294 1290 T C 0.676 175.359 174.700 -0.027 0.000 1.119 1290 T CA 0.339 62.427 62.100 -0.020 0.000 1.007 1290 T CB 1.130 70.012 68.868 0.024 0.000 1.225 1290 T HN 0.289 nan 8.240 nan 0.000 0.515 1291 T N -0.554 114.007 114.554 0.011 0.000 3.113 1291 T HA 0.240 4.580 4.350 -0.017 0.000 0.256 1291 T C 0.934 175.658 174.700 0.040 0.000 1.131 1291 T CA -0.196 61.914 62.100 0.017 0.000 1.074 1291 T CB -0.777 68.111 68.868 0.033 0.000 0.944 1291 T HN 0.546 nan 8.240 nan 0.000 0.516 1292 L N 3.285 124.554 121.223 0.077 0.000 2.559 1292 L HA 0.238 4.568 4.340 -0.017 0.000 0.282 1292 L C 0.734 177.622 176.870 0.031 0.000 1.232 1292 L CA -0.028 54.881 54.840 0.114 0.000 0.885 1292 L CB -0.029 42.159 42.059 0.215 0.000 1.131 1292 L HN 0.348 nan 8.230 nan 0.000 0.498 1293 T N 0.897 115.478 114.554 0.046 0.000 2.841 1293 T HA 0.715 5.055 4.350 -0.017 0.000 0.283 1293 T C -0.429 174.268 174.700 -0.005 0.000 1.000 1293 T CA -0.718 61.376 62.100 -0.011 0.000 0.977 1293 T CB 1.682 70.545 68.868 -0.008 0.000 0.979 1293 T HN 0.324 nan 8.240 nan 0.000 0.446 1294 I N 2.928 123.437 120.570 -0.100 0.000 2.355 1294 I HA 0.449 4.608 4.170 -0.017 0.000 0.288 1294 I C 1.372 177.432 176.117 -0.096 0.000 0.999 1294 I CA -1.008 60.194 61.300 -0.162 0.000 1.163 1294 I CB 1.984 39.697 38.000 -0.478 0.000 1.316 1294 I HN 0.764 nan 8.210 nan 0.000 0.454 1295 R N 6.711 127.203 120.500 -0.014 0.000 2.055 1295 R HA 0.219 4.549 4.340 -0.017 0.000 0.221 1295 R C 0.044 176.321 176.300 -0.037 0.000 1.154 1295 R CA 0.710 56.799 56.100 -0.017 0.000 0.975 1295 R CB 0.459 30.768 30.300 0.016 0.000 0.869 1295 R HN 0.749 nan 8.270 nan 0.000 0.437 1296 R N 0.424 120.920 120.500 -0.007 0.000 2.579 1296 R HA 0.431 4.760 4.340 -0.017 0.000 0.260 1296 R C -2.986 173.337 176.300 0.038 0.000 1.103 1296 R CA -1.841 54.248 56.100 -0.018 0.000 0.942 1296 R CB 1.404 31.697 30.300 -0.012 0.000 1.251 1296 R HN 0.009 nan 8.270 nan 0.000 0.450 1297 P HA 0.151 nan 4.420 nan 0.000 0.275 1297 P C -0.328 177.022 177.300 0.082 0.000 1.228 1297 P CA -0.324 62.855 63.100 0.132 0.000 0.786 1297 P CB 1.384 33.148 31.700 0.106 0.000 0.927 1298 E N 0.462 120.720 120.200 0.098 0.000 2.230 1298 E HA -0.035 4.304 4.350 -0.017 0.000 0.192 1298 E C -0.024 176.337 176.600 -0.399 0.000 0.987 1298 E CA 1.181 57.504 56.400 -0.128 0.000 0.841 1298 E CB 0.097 29.735 29.700 -0.103 0.000 0.783 1298 E HN 0.473 nan 8.360 nan 0.000 0.481 1299 H N -1.373 117.842 119.070 0.242 0.000 2.974 1299 H HA 0.369 4.915 4.556 -0.017 0.000 0.366 1299 H C -0.702 174.843 175.328 0.362 0.000 1.155 1299 H CA -0.231 56.002 56.048 0.308 0.000 1.186 1299 H CB 1.589 31.586 29.762 0.392 0.000 1.799 1299 H HN 0.042 nan 8.280 nan 0.000 0.541 1300 T N -0.626 114.203 114.554 0.460 0.000 2.906 1300 T HA 0.656 4.995 4.350 -0.017 0.000 0.295 1300 T C -0.958 174.024 174.700 0.470 0.000 1.061 1300 T CA -0.888 61.407 62.100 0.325 0.000 1.000 1300 T CB 2.213 71.177 68.868 0.159 0.000 1.103 1300 T HN 0.759 nan 8.240 nan 0.000 0.486 1301 W N 0.311 121.691 121.300 0.132 0.000 2.937 1301 W HA 0.841 5.490 4.660 -0.018 0.000 0.360 1301 W C -2.053 174.507 176.519 0.069 0.000 1.215 1301 W CA -1.109 56.283 57.345 0.078 0.000 1.183 1301 W CB 0.675 30.162 29.460 0.046 0.000 1.458 1301 W HN 0.971 nan 8.180 nan 0.000 0.574 1302 A N 0.874 123.847 122.820 0.255 0.000 2.539 1302 A HA 0.959 5.268 4.320 -0.017 0.000 0.296 1302 A C -0.666 177.055 177.584 0.229 0.000 1.073 1302 A CA -0.295 51.819 52.037 0.129 0.000 0.700 1302 A CB 1.363 20.401 19.000 0.064 0.000 1.296 1302 A HN 1.839 nan 8.150 nan 0.000 0.405 1303 G N -0.446 108.459 108.800 0.176 0.000 2.733 1303 G HA2 0.605 4.554 3.960 -0.017 0.000 0.288 1303 G HA3 0.605 4.554 3.960 -0.017 0.000 0.288 1303 G C -1.418 173.522 174.900 0.067 0.000 1.373 1303 G CA -0.757 44.425 45.100 0.136 0.000 0.895 1303 G HN 0.716 nan 8.290 nan 0.000 0.479 1304 L N 0.591 121.832 121.223 0.030 0.000 2.282 1304 L HA 0.541 4.871 4.340 -0.017 0.000 0.288 1304 L C 0.131 176.984 176.870 -0.028 0.000 1.033 1304 L CA -0.624 54.204 54.840 -0.020 0.000 0.807 1304 L CB 1.584 43.578 42.059 -0.109 0.000 1.209 1304 L HN 0.319 nan 8.230 nan 0.000 0.423 1305 R N 2.151 122.640 120.500 -0.018 0.000 2.310 1305 R HA 0.449 4.778 4.340 -0.017 0.000 0.324 1305 R C -0.867 175.313 176.300 -0.200 0.000 0.955 1305 R CA -0.328 55.694 56.100 -0.130 0.000 0.830 1305 R CB 1.744 32.045 30.300 0.003 0.000 1.154 1305 R HN 0.510 nan 8.270 nan 0.000 0.458 1306 S N 3.432 118.893 115.700 -0.397 0.000 2.454 1306 S HA 0.570 5.029 4.470 -0.017 0.000 0.306 1306 S C -0.915 173.431 174.600 -0.422 0.000 1.100 1306 S CA -0.562 57.488 58.200 -0.250 0.000 1.087 1306 S CB 0.692 63.799 63.200 -0.155 0.000 1.019 1306 S HN 0.308 nan 8.310 nan 0.000 0.480 1307 F N 1.219 121.148 119.950 -0.036 0.000 2.577 1307 F HA 0.627 5.142 4.527 -0.019 0.000 0.318 1307 F C 0.357 176.131 175.800 -0.043 0.000 1.065 1307 F CA -1.094 56.891 58.000 -0.025 0.000 0.929 1307 F CB 1.377 40.367 39.000 -0.017 0.000 1.237 1307 F HN 0.400 nan 8.300 nan 0.000 0.468 1308 V N -0.084 119.913 119.914 0.137 0.000 3.302 1308 V HA 0.757 4.866 4.120 -0.017 0.000 0.316 1308 V C 0.849 176.975 176.094 0.053 0.000 1.111 1308 V CA -0.270 62.053 62.300 0.037 0.000 1.029 1308 V CB 0.871 32.663 31.823 -0.052 0.000 1.170 1308 V HN 0.947 nan 8.190 nan 0.000 0.452 1309 A N 0.877 123.696 122.820 -0.002 0.000 1.978 1309 A HA -0.152 4.157 4.320 -0.017 0.000 0.220 1309 A C 1.536 179.112 177.584 -0.013 0.000 1.170 1309 A CA 2.030 54.059 52.037 -0.013 0.000 0.636 1309 A CB -0.984 17.998 19.000 -0.030 0.000 0.810 1309 A HN 1.144 nan 8.150 nan 0.000 0.448 1310 D N -2.780 117.615 120.400 -0.009 0.000 2.339 1310 D HA 0.300 4.930 4.640 -0.017 0.000 0.217 1310 D C 1.166 177.472 176.300 0.009 0.000 1.050 1310 D CA 0.843 54.834 54.000 -0.014 0.000 0.856 1310 D CB -0.531 40.252 40.800 -0.028 0.000 0.922 1310 D HN 0.742 nan 8.370 nan 0.000 0.518 1311 G N -0.030 108.814 108.800 0.074 0.000 2.184 1311 G HA2 -0.257 3.693 3.960 -0.017 0.000 0.264 1311 G HA3 -0.257 3.693 3.960 -0.017 0.000 0.264 1311 G C -0.303 174.688 174.900 0.152 0.000 0.975 1311 G CA 0.302 45.507 45.100 0.176 0.000 0.642 1311 G HN 0.432 nan 8.290 nan 0.000 0.536 1312 D N 0.018 120.449 120.400 0.052 0.000 2.253 1312 D HA 0.601 5.231 4.640 -0.017 0.000 0.249 1312 D C 0.973 177.273 176.300 0.000 0.000 1.049 1312 D CA -0.543 53.454 54.000 -0.006 0.000 0.929 1312 D CB 1.205 41.980 40.800 -0.042 0.000 1.176 1312 D HN 0.113 nan 8.370 nan 0.000 0.437 1313 L N 0.484 121.695 121.223 -0.020 0.000 2.472 1313 L HA 0.251 4.580 4.340 -0.017 0.000 0.260 1313 L C 0.036 176.876 176.870 -0.051 0.000 1.209 1313 L CA -0.107 54.720 54.840 -0.022 0.000 0.817 1313 L CB 0.498 42.548 42.059 -0.014 0.000 1.106 1313 L HN 0.082 nan 8.230 nan 0.000 0.479 1314 V N 0.798 120.679 119.914 -0.055 0.000 2.483 1314 V HA 0.791 4.901 4.120 -0.017 0.000 0.297 1314 V C -0.420 175.637 176.094 -0.062 0.000 1.027 1314 V CA -0.611 61.636 62.300 -0.088 0.000 0.855 1314 V CB 1.454 33.187 31.823 -0.149 0.000 0.995 1314 V HN 0.796 nan 8.190 nan 0.000 0.424 1315 A N 3.613 126.376 122.820 -0.096 0.000 2.457 1315 A HA 0.965 5.275 4.320 -0.017 0.000 0.283 1315 A C -0.079 177.310 177.584 -0.326 0.000 1.166 1315 A CA 0.145 52.118 52.037 -0.106 0.000 0.740 1315 A CB 1.284 20.315 19.000 0.052 0.000 1.181 1315 A HN 1.499 nan 8.150 nan 0.000 0.446 1316 G N 0.486 108.714 108.800 -0.953 0.000 2.387 1316 G HA2 0.465 4.415 3.960 -0.017 0.000 0.294 1316 G HA3 0.465 4.415 3.960 -0.017 0.000 0.294 1316 G C -1.553 172.696 174.900 -1.085 0.000 1.509 1316 G CA -0.695 43.843 45.100 -0.936 0.000 0.806 1316 G HN 0.426 nan 8.290 nan 0.000 0.546 1317 Y N 0.915 120.979 120.300 -0.394 0.000 2.497 1317 Y HA 0.423 4.963 4.550 -0.018 0.000 0.334 1317 Y C 1.353 177.339 175.900 0.144 0.000 1.199 1317 Y CA 1.013 59.116 58.100 0.006 0.000 1.425 1317 Y CB 1.019 39.610 38.460 0.218 0.000 1.291 1317 Y HN 0.770 nan 8.280 nan 0.000 0.562 1318 A N 2.962 126.073 122.820 0.484 0.000 2.511 1318 A HA 0.486 4.796 4.320 -0.017 0.000 0.242 1318 A C 0.253 178.027 177.584 0.316 0.000 1.069 1318 A CA -0.212 52.112 52.037 0.478 0.000 0.763 1318 A CB -0.426 18.872 19.000 0.495 0.000 1.001 1318 A HN 0.905 nan 8.150 nan 0.000 0.498 1319 A N 2.686 125.642 122.820 0.226 0.000 2.511 1319 A HA 0.400 4.710 4.320 -0.017 0.000 0.242 1319 A C 0.834 178.505 177.584 0.146 0.000 1.069 1319 A CA 0.411 52.542 52.037 0.156 0.000 0.763 1319 A CB -0.800 18.262 19.000 0.102 0.000 1.001 1319 A HN 1.390 nan 8.150 nan 0.000 0.498 1320 N N -0.827 117.947 118.700 0.123 0.000 2.741 1320 N HA -0.182 4.548 4.740 -0.017 0.000 0.251 1320 N C -0.133 175.453 175.510 0.126 0.000 1.112 1320 N CA 0.723 53.833 53.050 0.101 0.000 0.750 1320 N CB -1.183 37.349 38.487 0.075 0.000 1.119 1320 N HN 1.261 nan 8.380 nan 0.000 0.561 1321 A N 0.660 123.592 122.820 0.186 0.000 2.984 1321 A HA 0.331 4.640 4.320 -0.017 0.000 0.320 1321 A C -0.114 177.699 177.584 0.382 0.000 1.142 1321 A CA -0.461 51.732 52.037 0.261 0.000 0.772 1321 A CB 0.617 19.745 19.000 0.213 0.000 1.195 1321 A HN 0.321 nan 8.150 nan 0.000 0.459 1322 E N 1.092 121.457 120.200 0.274 0.000 2.558 1322 E HA 0.269 4.609 4.350 -0.017 0.000 0.255 1322 E C 1.390 178.272 176.600 0.471 0.000 0.968 1322 E CA 1.541 58.080 56.400 0.232 0.000 0.939 1322 E CB 0.185 29.939 29.700 0.089 0.000 0.921 1322 E HN 1.603 nan 8.360 nan 0.000 0.477 1323 G N 3.948 113.002 108.800 0.423 0.000 2.179 1323 G HA2 -0.323 3.627 3.960 -0.017 0.000 0.260 1323 G HA3 -0.323 3.627 3.960 -0.017 0.000 0.260 1323 G C -0.100 175.248 174.900 0.748 0.000 0.977 1323 G CA 0.169 45.656 45.100 0.644 0.000 0.641 1323 G HN 0.548 nan 8.290 nan 0.000 0.533 1324 F N 1.013 121.260 119.950 0.495 0.000 2.371 1324 F HA 0.707 5.223 4.527 -0.018 0.000 0.363 1324 F C -0.283 175.564 175.800 0.078 0.000 1.122 1324 F CA -1.509 56.506 58.000 0.024 0.000 1.129 1324 F CB 0.507 39.389 39.000 -0.197 0.000 1.173 1324 F HN 0.031 nan 8.300 nan 0.000 0.489 1325 F N 6.614 126.281 119.950 -0.473 0.000 2.449 1325 F HA 0.423 4.939 4.527 -0.019 0.000 0.342 1325 F C -1.338 174.189 175.800 -0.455 0.000 1.127 1325 F CA -0.922 56.815 58.000 -0.438 0.000 0.975 1325 F CB 0.719 39.345 39.000 -0.623 0.000 1.146 1325 F HN 0.398 nan 8.300 nan 0.000 0.444 1326 W N 6.061 127.069 121.300 -0.485 0.000 2.316 1326 W HA 0.549 5.198 4.660 -0.017 0.000 0.311 1326 W C -0.923 175.471 176.519 -0.208 0.000 1.217 1326 W CA -0.672 56.512 57.345 -0.267 0.000 1.199 1326 W CB 1.316 30.662 29.460 -0.190 0.000 1.202 1326 W HN 0.170 nan 8.180 nan 0.000 0.528 1327 V N 4.132 124.151 119.914 0.176 0.000 2.320 1327 V HA 0.727 4.836 4.120 -0.017 0.000 0.268 1327 V C 0.035 176.199 176.094 0.118 0.000 1.021 1327 V CA -0.741 61.641 62.300 0.138 0.000 0.813 1327 V CB -0.151 31.744 31.823 0.119 0.000 1.054 1327 V HN 0.649 nan 8.190 nan 0.000 0.444 1328 A N 2.597 125.479 122.820 0.102 0.000 2.564 1328 A HA 0.956 5.266 4.320 -0.017 0.000 0.288 1328 A C 0.565 178.152 177.584 0.005 0.000 1.164 1328 A CA -0.198 51.893 52.037 0.090 0.000 0.712 1328 A CB 1.558 20.669 19.000 0.185 0.000 1.303 1328 A HN 2.054 nan 8.150 nan 0.000 0.418 1329 A N -0.520 122.282 122.820 -0.030 0.000 2.914 1329 A HA -0.172 4.138 4.320 -0.017 0.000 0.280 1329 A C 0.744 178.263 177.584 -0.108 0.000 1.447 1329 A CA 1.626 53.611 52.037 -0.085 0.000 0.759 1329 A CB -2.401 16.563 19.000 -0.060 0.000 1.034 1329 A HN 0.987 nan 8.150 nan 0.000 0.529 1330 Q N -0.601 119.133 119.800 -0.110 0.000 2.364 1330 Q HA 0.333 4.663 4.340 -0.017 0.000 0.207 1330 Q C 2.004 177.872 176.000 -0.219 0.000 0.970 1330 Q CA 2.212 57.969 55.803 -0.076 0.000 0.888 1330 Q CB -0.277 28.433 28.738 -0.047 0.000 0.951 1330 Q HN 2.168 nan 8.270 nan 0.000 0.469 1331 G N -0.196 108.247 108.800 -0.595 0.000 2.596 1331 G HA2 -0.332 3.618 3.960 -0.017 0.000 0.295 1331 G HA3 -0.332 3.618 3.960 -0.017 0.000 0.295 1331 G C 0.640 174.994 174.900 -0.910 0.000 1.240 1331 G CA -0.096 44.188 45.100 -1.360 0.000 0.985 1331 G HN 0.562 nan 8.290 nan 0.000 0.555 1332 G N -1.189 106.909 108.800 -1.171 0.000 3.383 1332 G HA2 0.461 4.411 3.960 -0.017 0.000 0.251 1332 G HA3 0.461 4.411 3.960 -0.017 0.000 0.251 1332 G C 0.474 175.052 174.900 -0.536 0.000 1.203 1332 G CA 1.147 45.822 45.100 -0.709 0.000 0.852 1332 G HN 0.716 nan 8.290 nan 0.000 0.531 1333 Y N -1.887 118.440 120.300 0.045 0.000 2.728 1333 Y HA 0.284 4.826 4.550 -0.014 0.000 0.256 1333 Y C 2.148 178.078 175.900 0.051 0.000 1.112 1333 Y CA -0.819 57.323 58.100 0.070 0.000 1.240 1333 Y CB 0.050 38.525 38.460 0.025 0.000 1.337 1333 Y HN 0.047 nan 8.280 nan 0.000 0.559 1334 G N 1.102 109.962 108.800 0.100 0.000 2.443 1334 G HA2 -0.133 3.816 3.960 -0.017 0.000 0.219 1334 G HA3 -0.133 3.816 3.960 -0.017 0.000 0.219 1334 G C 1.391 176.373 174.900 0.136 0.000 1.131 1334 G CA 1.099 46.255 45.100 0.094 0.000 0.775 1334 G HN 0.174 nan 8.290 nan 0.000 0.547 1335 I N 1.525 122.176 120.570 0.135 0.000 2.235 1335 I HA -0.119 4.040 4.170 -0.017 0.000 0.241 1335 I C 2.914 179.188 176.117 0.262 0.000 1.085 1335 I CA 1.290 62.682 61.300 0.153 0.000 1.378 1335 I CB -1.520 36.523 38.000 0.072 0.000 1.076 1335 I HN 0.469 nan 8.210 nan 0.000 0.415 1336 Q N 1.320 121.279 119.800 0.265 0.000 2.364 1336 Q HA -0.119 4.210 4.340 -0.017 0.000 0.207 1336 Q C 1.435 177.727 176.000 0.486 0.000 0.970 1336 Q CA 1.781 57.840 55.803 0.426 0.000 0.888 1336 Q CB -0.598 28.275 28.738 0.225 0.000 0.951 1336 Q HN 0.592 nan 8.270 nan 0.000 0.469 1337 T N -2.563 112.180 114.554 0.315 0.000 3.069 1337 T HA 0.130 4.469 4.350 -0.017 0.000 0.252 1337 T C 1.777 176.575 174.700 0.164 0.000 1.053 1337 T CA 0.229 62.441 62.100 0.185 0.000 0.964 1337 T CB 0.309 69.235 68.868 0.098 0.000 1.005 1337 T HN 0.372 nan 8.240 nan 0.000 0.532 1338 S N 1.951 117.840 115.700 0.315 0.000 2.402 1338 S HA 0.085 4.544 4.470 -0.017 0.000 0.229 1338 S C 2.382 177.061 174.600 0.131 0.000 1.021 1338 S CA 0.621 58.964 58.200 0.239 0.000 0.974 1338 S CB -0.802 62.629 63.200 0.385 0.000 0.800 1338 S HN 0.656 nan 8.310 nan 0.000 0.484 1339 A N 2.143 125.026 122.820 0.105 0.000 1.898 1339 A HA 0.353 4.663 4.320 -0.017 0.000 0.216 1339 A C 2.532 179.816 177.584 -0.501 0.000 1.181 1339 A CA 1.640 53.555 52.037 -0.202 0.000 0.620 1339 A CB -1.427 17.325 19.000 -0.413 0.000 0.819 1339 A HN 0.815 nan 8.150 nan 0.000 0.442 1340 A N -1.012 121.607 122.820 -0.335 0.000 1.898 1340 A HA -0.055 4.255 4.320 -0.017 0.000 0.216 1340 A C 2.193 179.586 177.584 -0.319 0.000 1.181 1340 A CA 1.787 53.626 52.037 -0.330 0.000 0.620 1340 A CB -0.453 18.414 19.000 -0.221 0.000 0.819 1340 A HN 0.412 nan 8.150 nan 0.000 0.442 1341 M N -0.458 119.017 119.600 -0.208 0.000 2.117 1341 M HA -0.099 4.371 4.480 -0.017 0.000 0.262 1341 M C 2.298 178.472 176.300 -0.210 0.000 1.065 1341 M CA 1.527 56.734 55.300 -0.156 0.000 1.114 1341 M CB -1.625 30.937 32.600 -0.064 0.000 1.361 1341 M HN 0.495 nan 8.290 nan 0.000 0.408 1342 G N -0.450 108.191 108.800 -0.266 0.000 2.402 1342 G HA2 -0.227 3.722 3.960 -0.017 0.000 0.216 1342 G HA3 -0.227 3.722 3.960 -0.017 0.000 0.216 1342 G C 1.494 176.134 174.900 -0.435 0.000 1.162 1342 G CA 0.878 45.857 45.100 -0.201 0.000 0.777 1342 G HN 0.545 nan 8.290 nan 0.000 0.539 1343 E N 0.344 119.879 120.200 -1.109 0.000 2.072 1343 E HA -0.012 4.327 4.350 -0.017 0.000 0.191 1343 E C 2.793 179.057 176.600 -0.560 0.000 0.985 1343 E CA 0.930 56.597 56.400 -1.221 0.000 0.801 1343 E CB -0.207 28.643 29.700 -1.416 0.000 0.750 1343 E HN 0.324 nan 8.360 nan 0.000 0.452 1344 A N 0.913 123.479 122.820 -0.423 0.000 1.877 1344 A HA -0.221 4.088 4.320 -0.017 0.000 0.216 1344 A C 2.366 179.837 177.584 -0.189 0.000 1.186 1344 A CA 2.267 54.148 52.037 -0.260 0.000 0.620 1344 A CB -0.908 17.975 19.000 -0.194 0.000 0.822 1344 A HN 0.461 nan 8.150 nan 0.000 0.443 1345 S N 0.380 115.979 115.700 -0.168 0.000 2.356 1345 S HA -0.027 4.432 4.470 -0.017 0.000 0.223 1345 S C 2.140 176.500 174.600 -0.400 0.000 1.032 1345 S CA 1.504 59.620 58.200 -0.140 0.000 1.005 1345 S CB -0.854 62.325 63.200 -0.036 0.000 0.867 1345 S HN 0.962 nan 8.310 nan 0.000 0.449 1346 A N 2.309 124.931 122.820 -0.329 0.000 1.902 1346 A HA 0.257 4.566 4.320 -0.017 0.000 0.217 1346 A C 2.563 179.948 177.584 -0.331 0.000 1.181 1346 A CA 1.908 53.739 52.037 -0.343 0.000 0.623 1346 A CB -1.527 17.387 19.000 -0.142 0.000 0.818 1346 A HN 0.891 nan 8.150 nan 0.000 0.443 1347 A N -0.255 122.407 122.820 -0.262 0.000 1.877 1347 A HA -0.047 4.263 4.320 -0.017 0.000 0.216 1347 A C 2.174 179.644 177.584 -0.189 0.000 1.186 1347 A CA 1.555 53.467 52.037 -0.209 0.000 0.620 1347 A CB -0.609 18.287 19.000 -0.174 0.000 0.822 1347 A HN 0.475 nan 8.150 nan 0.000 0.443 1348 L N -0.710 120.399 121.223 -0.189 0.000 2.093 1348 L HA -0.125 4.205 4.340 -0.017 0.000 0.208 1348 L C 2.424 179.135 176.870 -0.265 0.000 1.085 1348 L CA 0.961 55.734 54.840 -0.111 0.000 0.755 1348 L CB -0.515 41.601 42.059 0.094 0.000 0.904 1348 L HN 0.346 nan 8.230 nan 0.000 0.435 1349 I N -0.196 119.995 120.570 -0.633 0.000 2.248 1349 I HA -0.311 3.849 4.170 -0.017 0.000 0.248 1349 I C 2.265 178.263 176.117 -0.199 0.000 1.107 1349 I CA 1.459 62.360 61.300 -0.664 0.000 1.373 1349 I CB -0.236 37.232 38.000 -0.887 0.000 1.055 1349 I HN 0.191 nan 8.210 nan 0.000 0.418 1350 R N -0.490 119.898 120.500 -0.186 0.000 2.320 1350 R HA 0.045 4.374 4.340 -0.017 0.000 0.211 1350 R C -0.071 176.281 176.300 0.087 0.000 0.931 1350 R CA 0.061 56.148 56.100 -0.022 0.000 1.071 1350 R CB -0.136 30.093 30.300 -0.118 0.000 1.025 1350 R HN 0.344 nan 8.270 nan 0.000 0.495 1351 H N 0.201 119.325 119.070 0.090 0.000 2.770 1351 H HA -0.149 4.397 4.556 -0.018 0.000 0.309 1351 H C -0.435 174.916 175.328 0.038 0.000 1.206 1351 H CA 0.662 56.767 56.048 0.095 0.000 1.147 1351 H CB -0.922 28.894 29.762 0.090 0.000 1.422 1351 H HN 0.284 nan 8.280 nan 0.000 0.420 1352 Q N 0.490 120.321 119.800 0.053 0.000 2.215 1352 Q HA 0.398 4.728 4.340 -0.017 0.000 0.256 1352 Q C -1.810 174.192 176.000 0.003 0.000 0.972 1352 Q CA -1.766 54.045 55.803 0.014 0.000 0.889 1352 Q CB 1.141 29.850 28.738 -0.048 0.000 1.281 1352 Q HN 0.197 nan 8.270 nan 0.000 0.456 1353 P HA 0.112 nan 4.420 nan 0.000 0.272 1353 P C -0.229 177.039 177.300 -0.053 0.000 1.223 1353 P CA -0.173 62.918 63.100 -0.014 0.000 0.784 1353 P CB 0.651 32.345 31.700 -0.009 0.000 0.923 1354 L N 3.295 124.478 121.223 -0.066 0.000 2.453 1354 L HA 0.133 4.462 4.340 -0.017 0.000 0.272 1354 L C -1.721 175.065 176.870 -0.141 0.000 1.182 1354 L CA -1.607 53.162 54.840 -0.119 0.000 0.858 1354 L CB -0.569 41.416 42.059 -0.123 0.000 1.120 1354 L HN 0.248 nan 8.230 nan 0.000 0.474 1355 P HA -0.019 nan 4.420 nan 0.000 0.267 1355 P C 0.264 177.412 177.300 -0.252 0.000 1.200 1355 P CA -0.023 62.951 63.100 -0.209 0.000 0.772 1355 P CB 0.781 32.287 31.700 -0.323 0.000 0.855 1356 A N 3.257 126.024 122.820 -0.089 0.000 1.917 1356 A HA -0.264 4.045 4.320 -0.017 0.000 0.219 1356 A C 1.916 179.469 177.584 -0.053 0.000 1.182 1356 A CA 1.964 53.977 52.037 -0.040 0.000 0.633 1356 A CB -1.679 17.342 19.000 0.034 0.000 0.819 1356 A HN 0.797 nan 8.150 nan 0.000 0.448 1357 H N -0.650 118.430 119.070 0.017 0.000 2.457 1357 H HA 0.016 4.560 4.556 -0.020 0.000 0.294 1357 H C 1.869 177.265 175.328 0.113 0.000 1.064 1357 H CA 1.348 57.430 56.048 0.057 0.000 1.330 1357 H CB -0.789 29.015 29.762 0.068 0.000 1.395 1357 H HN 0.475 nan 8.280 nan 0.000 0.541 1358 L N 0.415 121.394 121.223 -0.407 0.000 2.044 1358 L HA -0.057 4.273 4.340 -0.017 0.000 0.205 1358 L C 2.928 179.756 176.870 -0.071 0.000 1.075 1358 L CA 0.750 55.468 54.840 -0.202 0.000 0.747 1358 L CB -0.302 41.551 42.059 -0.342 0.000 0.903 1358 L HN 0.105 nan 8.230 nan 0.000 0.435 1359 R N 0.690 121.130 120.500 -0.101 0.000 2.120 1359 R HA -0.154 4.175 4.340 -0.017 0.000 0.234 1359 R C 1.903 178.184 176.300 -0.032 0.000 1.123 1359 R CA 1.097 57.163 56.100 -0.056 0.000 0.975 1359 R CB -0.483 29.782 30.300 -0.059 0.000 0.866 1359 R HN 0.528 nan 8.270 nan 0.000 0.446 1360 E N -0.564 119.615 120.200 -0.035 0.000 2.338 1360 E HA -0.142 4.198 4.350 -0.017 0.000 0.197 1360 E C 0.913 177.427 176.600 -0.143 0.000 1.007 1360 E CA 0.745 57.094 56.400 -0.084 0.000 0.849 1360 E CB -0.076 29.565 29.700 -0.099 0.000 0.774 1360 E HN 0.534 nan 8.360 nan 0.000 0.506 1361 H N -1.174 117.878 119.070 -0.030 0.000 2.526 1361 H HA 0.177 4.729 4.556 -0.008 0.000 0.274 1361 H C 0.869 176.174 175.328 -0.039 0.000 0.999 1361 H CA 0.465 56.497 56.048 -0.027 0.000 1.157 1361 H CB 0.947 30.694 29.762 -0.025 0.000 1.407 1361 H HN 0.246 nan 8.280 nan 0.000 0.568 1362 G N 0.494 109.315 108.800 0.035 0.000 2.130 1362 G HA2 -0.237 3.713 3.960 -0.017 0.000 0.216 1362 G HA3 -0.237 3.713 3.960 -0.017 0.000 0.216 1362 G C -0.143 174.752 174.900 -0.008 0.000 0.999 1362 G CA -0.178 44.924 45.100 0.003 0.000 0.686 1362 G HN 0.228 nan 8.290 nan 0.000 0.515 1363 L N 0.820 122.036 121.223 -0.012 0.000 2.379 1363 L HA 0.749 5.078 4.340 -0.017 0.000 0.269 1363 L C 0.195 177.040 176.870 -0.042 0.000 1.084 1363 L CA -0.644 54.174 54.840 -0.037 0.000 0.802 1363 L CB 1.280 43.304 42.059 -0.058 0.000 1.175 1363 L HN 0.429 nan 8.230 nan 0.000 0.448 1364 D N -1.149 119.226 120.400 -0.041 0.000 2.615 1364 D HA 0.090 4.719 4.640 -0.017 0.000 0.267 1364 D C 0.177 176.460 176.300 -0.029 0.000 1.236 1364 D CA -0.765 53.215 54.000 -0.034 0.000 0.839 1364 D CB 1.037 41.823 40.800 -0.024 0.000 1.380 1364 D HN 0.514 nan 8.370 nan 0.000 0.433 1365 E N -0.041 120.149 120.200 -0.016 0.000 2.077 1365 E HA -0.196 4.144 4.350 -0.017 0.000 0.193 1365 E C 1.815 178.412 176.600 -0.006 0.000 0.989 1365 E CA 1.364 57.763 56.400 -0.002 0.000 0.800 1365 E CB -0.175 29.538 29.700 0.022 0.000 0.746 1365 E HN 0.515 nan 8.360 nan 0.000 0.452 1366 A N 1.564 124.380 122.820 -0.006 0.000 1.933 1366 A HA -0.200 4.109 4.320 -0.017 0.000 0.218 1366 A C 2.251 179.820 177.584 -0.026 0.000 1.175 1366 A CA 1.825 53.856 52.037 -0.011 0.000 0.628 1366 A CB -0.736 18.259 19.000 -0.008 0.000 0.814 1366 A HN 0.557 nan 8.150 nan 0.000 0.444 1367 M N -1.308 118.273 119.600 -0.031 0.000 2.374 1367 M HA 0.062 4.532 4.480 -0.017 0.000 0.264 1367 M C 1.308 177.578 176.300 -0.050 0.000 1.067 1367 M CA 1.716 56.992 55.300 -0.041 0.000 1.103 1367 M CB -0.294 32.282 32.600 -0.042 0.000 1.402 1367 M HN 0.236 nan 8.290 nan 0.000 0.444 1368 L N -0.174 121.020 121.223 -0.049 0.000 2.416 1368 L HA 0.223 4.552 4.340 -0.017 0.000 0.216 1368 L C 1.398 178.221 176.870 -0.078 0.000 1.098 1368 L CA -0.380 54.424 54.840 -0.060 0.000 0.840 1368 L CB -0.027 42.002 42.059 -0.050 0.000 0.981 1368 L HN 0.311 nan 8.230 nan 0.000 0.462 1369 S N 0.742 116.402 115.700 -0.066 0.000 2.564 1369 S HA 0.129 4.589 4.470 -0.017 0.000 0.278 1369 S C -1.305 173.234 174.600 -0.102 0.000 1.333 1369 S CA -1.253 56.902 58.200 -0.076 0.000 1.048 1369 S CB 0.807 63.989 63.200 -0.030 0.000 0.900 1369 S HN -0.012 nan 8.310 nan 0.000 0.505 1370 P HA -0.038 nan 4.420 nan 0.000 0.226 1370 P C 0.863 178.088 177.300 -0.124 0.000 1.153 1370 P CA 0.685 63.666 63.100 -0.199 0.000 0.777 1370 P CB 0.067 31.578 31.700 -0.314 0.000 0.794 1371 R N 0.686 121.150 120.500 -0.060 0.000 2.152 1371 R HA -0.096 4.234 4.340 -0.017 0.000 0.232 1371 R C 2.586 178.862 176.300 -0.041 0.000 1.117 1371 R CA 1.156 57.238 56.100 -0.030 0.000 0.981 1371 R CB -0.539 29.762 30.300 0.002 0.000 0.870 1371 R HN 0.328 nan 8.270 nan 0.000 0.451 1372 R N 0.822 121.291 120.500 -0.053 0.000 2.237 1372 R HA -0.062 4.267 4.340 -0.017 0.000 0.219 1372 R C 1.557 177.823 176.300 -0.056 0.000 1.080 1372 R CA 1.072 57.143 56.100 -0.048 0.000 0.995 1372 R CB -0.381 29.888 30.300 -0.050 0.000 0.875 1372 R HN 0.226 nan 8.270 nan 0.000 0.462 1373 L N 1.662 122.839 121.223 -0.077 0.000 2.478 1373 L HA 0.049 4.378 4.340 -0.017 0.000 0.223 1373 L C 1.013 177.847 176.870 -0.061 0.000 1.140 1373 L CA 0.272 55.064 54.840 -0.080 0.000 0.842 1373 L CB -0.043 41.944 42.059 -0.120 0.000 0.953 1373 L HN 0.225 nan 8.230 nan 0.000 0.452 1374 S N -0.315 115.356 115.700 -0.050 0.000 2.462 1374 S HA 0.539 4.999 4.470 -0.017 0.000 0.294 1374 S C -1.933 172.653 174.600 -0.024 0.000 1.144 1374 S CA -1.343 56.837 58.200 -0.033 0.000 1.088 1374 S CB 1.315 64.501 63.200 -0.025 0.000 1.009 1374 S HN -0.095 nan 8.310 nan 0.000 0.484 1375 P HA 0.000 nan 4.420 nan 0.000 0.216 1375 P CA 0.000 63.091 63.100 -0.014 0.000 0.800 1375 P CB 0.000 31.693 31.700 -0.012 0.000 0.726