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 1x13_1_B DATA FIRST_RESID 999 DATA SEQUENCE HHGRIGIPRE RLTNETRVAA TPKTVEQLLK LGFTVAVESG AGQLASFDDK DATA SEQUENCE AFVQAGAEIV EGNSVWQSEI ILKVNAPLDD EIALLNPGTT LVSFIWPAQN DATA SEQUENCE PELMQKLAER NVTVMAMDSV PRISRAQSLD ALSSMANIAG YRAIVEAAHE DATA SEQUENCE FGRFFTGQIT AAGKVPPAKV MVIGAGVAGL AAIGAANSLG AIVRAFDTRP DATA SEQUENCE EVKEQVQSMG AEFLELDXXX XXXXXXXXXX XXSDAFIKAE MELFAAQAKE DATA SEQUENCE VDIIVTTALI PGKPAPKLIT REMVDSMKAG SVIVDLAAQN GGNCEYTVPG DATA SEQUENCE EIFTTENGVK VIGYTDLPGR LPTQSSQLYG TNLVNLLKLL CKEKDGNITV DATA SEQUENCE DFDDVVIRGV TVIRAGEITW PAPPIQVSA 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 999 H HA 0.000 nan 4.556 nan 0.000 0.296 999 H C 0.000 175.259 175.328 -0.114 0.000 0.993 999 H CA 0.000 55.985 56.048 -0.106 0.000 1.023 999 H CB 0.000 29.747 29.762 -0.025 0.000 1.292 1000 H N 1.223 120.327 119.070 0.057 0.000 2.886 1000 H HA 0.142 4.694 4.556 -0.007 0.000 0.329 1000 H C 1.432 176.957 175.328 0.329 0.000 1.044 1000 H CA 1.850 57.986 56.048 0.146 0.000 1.456 1000 H CB 0.637 30.407 29.762 0.013 0.000 1.464 1000 H HN 0.915 nan 8.280 nan 0.000 0.573 1001 G N 3.293 112.304 108.800 0.351 0.000 2.189 1001 G HA2 -0.321 3.635 3.960 -0.007 0.000 0.267 1001 G HA3 -0.321 3.635 3.960 -0.007 0.000 0.267 1001 G C 0.641 175.733 174.900 0.319 0.000 0.975 1001 G CA 0.434 45.736 45.100 0.336 0.000 0.644 1001 G HN 0.650 nan 8.290 nan 0.000 0.537 1002 R N 0.013 120.644 120.500 0.217 0.000 2.297 1002 R HA 0.652 4.988 4.340 -0.007 0.000 0.308 1002 R C 0.086 176.403 176.300 0.028 0.000 1.029 1002 R CA -0.655 55.506 56.100 0.101 0.000 0.929 1002 R CB 0.306 30.643 30.300 0.062 0.000 1.046 1002 R HN 0.245 nan 8.270 nan 0.000 0.461 1003 I N 2.849 123.393 120.570 -0.044 0.000 2.359 1003 I HA 0.322 4.488 4.170 -0.007 0.000 0.294 1003 I C 0.614 176.637 176.117 -0.156 0.000 0.987 1003 I CA -0.528 60.682 61.300 -0.149 0.000 1.225 1003 I CB 2.045 39.900 38.000 -0.241 0.000 1.366 1003 I HN 0.681 nan 8.210 nan 0.000 0.466 1004 G N 7.009 115.689 108.800 -0.199 0.000 2.372 1004 G HA2 0.612 4.568 3.960 -0.007 0.000 0.323 1004 G HA3 0.612 4.568 3.960 -0.007 0.000 0.323 1004 G C -0.549 174.164 174.900 -0.312 0.000 1.152 1004 G CA -0.348 44.596 45.100 -0.260 0.000 0.906 1004 G HN 0.371 nan 8.290 nan 0.000 0.460 1005 I N 3.707 124.090 120.570 -0.311 0.000 2.388 1005 I HA 0.269 4.435 4.170 -0.007 0.000 0.281 1005 I C -2.312 173.611 176.117 -0.323 0.000 1.046 1005 I CA -2.861 58.258 61.300 -0.301 0.000 1.187 1005 I CB 0.984 38.805 38.000 -0.298 0.000 1.351 1005 I HN 0.192 nan 8.210 nan 0.000 0.472 1006 P HA 0.237 nan 4.420 nan 0.000 0.274 1006 P C -0.044 177.171 177.300 -0.142 0.000 1.237 1006 P CA -0.627 62.292 63.100 -0.301 0.000 0.793 1006 P CB 0.830 32.282 31.700 -0.415 0.000 0.977 1007 R N 1.752 122.208 120.500 -0.073 0.000 2.491 1007 R HA 0.064 4.400 4.340 -0.007 0.000 0.283 1007 R C 0.152 176.472 176.300 0.034 0.000 1.072 1007 R CA -0.144 55.949 56.100 -0.011 0.000 1.048 1007 R CB 0.191 30.496 30.300 0.007 0.000 0.983 1007 R HN 0.416 nan 8.270 nan 0.000 0.450 1008 E N 3.538 123.765 120.200 0.045 0.000 2.360 1008 E HA -0.008 4.338 4.350 -0.007 0.000 0.269 1008 E C 0.380 177.020 176.600 0.066 0.000 1.022 1008 E CA 0.097 56.535 56.400 0.064 0.000 0.887 1008 E CB 0.962 30.698 29.700 0.060 0.000 0.990 1008 E HN 0.525 nan 8.360 nan 0.000 0.426 1009 R N 1.367 121.914 120.500 0.079 0.000 2.307 1009 R HA 0.129 4.465 4.340 -0.007 0.000 0.200 1009 R C 0.408 176.739 176.300 0.051 0.000 0.893 1009 R CA -0.470 55.671 56.100 0.068 0.000 1.042 1009 R CB 0.032 30.382 30.300 0.084 0.000 1.059 1009 R HN 0.298 nan 8.270 nan 0.000 0.530 1010 L N 2.174 123.427 121.223 0.051 0.000 2.485 1010 L HA 0.013 4.349 4.340 -0.007 0.000 0.275 1010 L C -0.004 176.881 176.870 0.025 0.000 1.207 1010 L CA 0.834 55.696 54.840 0.037 0.000 0.855 1010 L CB 0.717 42.799 42.059 0.039 0.000 1.114 1010 L HN 0.037 nan 8.230 nan 0.000 0.485 1011 T N 5.192 119.756 114.554 0.017 0.000 2.871 1011 T HA 0.020 4.366 4.350 -0.007 0.000 0.296 1011 T C 0.892 175.595 174.700 0.005 0.000 0.998 1011 T CA 0.870 62.976 62.100 0.010 0.000 1.162 1011 T CB -0.394 68.477 68.868 0.006 0.000 0.947 1011 T HN 0.821 nan 8.240 nan 0.000 0.536 1012 N N -0.249 118.453 118.700 0.003 0.000 2.815 1012 N HA -0.176 4.560 4.740 -0.007 0.000 0.247 1012 N C -0.210 175.298 175.510 -0.004 0.000 1.030 1012 N CA 0.949 53.995 53.050 -0.005 0.000 0.881 1012 N CB -0.769 37.709 38.487 -0.015 0.000 1.134 1012 N HN 0.710 nan 8.380 nan 0.000 0.582 1013 E N 0.598 120.802 120.200 0.007 0.000 2.366 1013 E HA 0.150 4.496 4.350 -0.007 0.000 0.266 1013 E C 1.104 177.715 176.600 0.018 0.000 1.015 1013 E CA 0.839 57.247 56.400 0.013 0.000 0.906 1013 E CB 0.589 30.305 29.700 0.026 0.000 0.979 1013 E HN 0.322 nan 8.360 nan 0.000 0.443 1014 T N 1.238 115.801 114.554 0.015 0.000 3.001 1014 T HA 0.277 4.623 4.350 -0.007 0.000 0.251 1014 T C 0.669 175.399 174.700 0.049 0.000 1.040 1014 T CA -0.257 61.856 62.100 0.021 0.000 0.985 1014 T CB 0.170 69.038 68.868 -0.000 0.000 1.011 1014 T HN 0.235 nan 8.240 nan 0.000 0.509 1015 R N 0.429 120.963 120.500 0.056 0.000 2.543 1015 R HA 0.741 5.077 4.340 -0.007 0.000 0.268 1015 R C -1.006 175.365 176.300 0.118 0.000 1.067 1015 R CA -0.613 55.541 56.100 0.091 0.000 1.142 1015 R CB 1.390 31.729 30.300 0.064 0.000 1.110 1015 R HN 0.148 nan 8.270 nan 0.000 0.549 1016 V N 0.026 120.045 119.914 0.174 0.000 3.007 1016 V HA 0.472 4.588 4.120 -0.007 0.000 0.311 1016 V C -0.163 176.056 176.094 0.208 0.000 1.120 1016 V CA -0.361 62.043 62.300 0.174 0.000 0.980 1016 V CB 2.092 34.052 31.823 0.228 0.000 1.033 1016 V HN 0.900 nan 8.190 nan 0.000 0.429 1017 A N 4.034 126.953 122.820 0.166 0.000 2.238 1017 A HA 0.831 5.147 4.320 -0.007 0.000 0.208 1017 A C 0.706 178.331 177.584 0.069 0.000 1.177 1017 A CA 0.801 52.962 52.037 0.206 0.000 0.804 1017 A CB -0.367 18.722 19.000 0.147 0.000 0.823 1017 A HN 1.769 nan 8.150 nan 0.000 0.482 1018 A N -1.022 121.841 122.820 0.072 0.000 2.594 1018 A HA 0.677 4.993 4.320 -0.007 0.000 0.295 1018 A C -0.193 177.459 177.584 0.113 0.000 1.071 1018 A CA 0.146 52.209 52.037 0.043 0.000 0.685 1018 A CB 0.682 19.681 19.000 -0.002 0.000 1.285 1018 A HN 0.692 nan 8.150 nan 0.000 0.405 1019 T N -1.255 113.245 114.554 -0.089 0.000 2.926 1019 T HA 0.711 5.057 4.350 -0.007 0.000 0.289 1019 T C -2.375 172.052 174.700 -0.455 0.000 1.054 1019 T CA -1.892 59.857 62.100 -0.585 0.000 1.015 1019 T CB 1.611 69.936 68.868 -0.905 0.000 1.167 1019 T HN 0.156 nan 8.240 nan 0.000 0.526 1020 P HA -0.075 nan 4.420 nan 0.000 0.216 1020 P C 1.338 178.503 177.300 -0.226 0.000 1.153 1020 P CA 1.314 64.153 63.100 -0.434 0.000 0.858 1020 P CB 0.089 31.511 31.700 -0.463 0.000 0.789 1021 K N -0.978 119.279 120.400 -0.238 0.000 2.097 1021 K HA -0.097 4.219 4.320 -0.007 0.000 0.205 1021 K C 2.123 178.663 176.600 -0.099 0.000 1.050 1021 K CA 1.981 58.189 56.287 -0.131 0.000 0.938 1021 K CB -0.640 31.797 32.500 -0.104 0.000 0.718 1021 K HN 0.289 nan 8.250 nan 0.000 0.442 1022 T N -1.608 112.877 114.554 -0.114 0.000 2.904 1022 T HA -0.054 4.292 4.350 -0.007 0.000 0.267 1022 T C 1.977 176.648 174.700 -0.048 0.000 1.059 1022 T CA 0.817 62.871 62.100 -0.076 0.000 1.137 1022 T CB -0.413 68.405 68.868 -0.084 0.000 0.879 1022 T HN -0.108 nan 8.240 nan 0.000 0.467 1023 V N 1.887 121.782 119.914 -0.032 0.000 2.332 1023 V HA -0.197 3.919 4.120 -0.007 0.000 0.248 1023 V C 2.803 178.897 176.094 0.000 0.000 1.055 1023 V CA 2.180 64.483 62.300 0.005 0.000 1.038 1023 V CB -0.758 31.106 31.823 0.068 0.000 0.651 1023 V HN 0.573 nan 8.190 nan 0.000 0.450 1024 E N -0.442 119.747 120.200 -0.018 0.000 2.085 1024 E HA -0.289 4.056 4.350 -0.007 0.000 0.194 1024 E C 2.367 178.965 176.600 -0.003 0.000 0.994 1024 E CA 1.593 57.985 56.400 -0.013 0.000 0.801 1024 E CB -0.153 29.531 29.700 -0.027 0.000 0.743 1024 E HN 0.686 nan 8.360 nan 0.000 0.453 1025 Q N 0.112 119.907 119.800 -0.008 0.000 2.119 1025 Q HA -0.130 4.206 4.340 -0.007 0.000 0.201 1025 Q C 2.352 178.374 176.000 0.038 0.000 0.972 1025 Q CA 0.881 56.686 55.803 0.004 0.000 0.847 1025 Q CB -0.042 28.689 28.738 -0.012 0.000 0.903 1025 Q HN 0.328 nan 8.270 nan 0.000 0.433 1026 L N 0.328 121.577 121.223 0.043 0.000 2.056 1026 L HA -0.180 4.156 4.340 -0.007 0.000 0.207 1026 L C 2.258 179.238 176.870 0.182 0.000 1.078 1026 L CA 0.879 55.789 54.840 0.116 0.000 0.749 1026 L CB -0.378 41.700 42.059 0.031 0.000 0.901 1026 L HN 0.253 nan 8.230 nan 0.000 0.433 1027 L N -0.420 120.857 121.223 0.091 0.000 2.131 1027 L HA -0.209 4.127 4.340 -0.007 0.000 0.210 1027 L C 2.418 179.304 176.870 0.027 0.000 1.092 1027 L CA 1.239 56.114 54.840 0.060 0.000 0.759 1027 L CB -0.523 41.551 42.059 0.026 0.000 0.903 1027 L HN 0.199 nan 8.230 nan 0.000 0.435 1028 K N 0.266 120.681 120.400 0.025 0.000 2.360 1028 K HA -0.074 4.242 4.320 -0.007 0.000 0.201 1028 K C 1.682 178.278 176.600 -0.008 0.000 1.046 1028 K CA 0.851 57.140 56.287 0.003 0.000 0.945 1028 K CB -0.004 32.498 32.500 0.004 0.000 0.750 1028 K HN 0.311 nan 8.250 nan 0.000 0.464 1029 L N -0.733 120.503 121.223 0.022 0.000 2.611 1029 L HA 0.146 4.482 4.340 -0.007 0.000 0.229 1029 L C 1.036 177.739 176.870 -0.280 0.000 1.137 1029 L CA 0.245 55.061 54.840 -0.040 0.000 0.901 1029 L CB 0.245 42.397 42.059 0.153 0.000 1.098 1029 L HN 0.405 nan 8.230 nan 0.000 0.456 1030 G N -0.383 108.291 108.800 -0.210 0.000 2.175 1030 G HA2 -0.282 3.674 3.960 -0.007 0.000 0.244 1030 G HA3 -0.282 3.674 3.960 -0.007 0.000 0.244 1030 G C 0.129 174.840 174.900 -0.315 0.000 0.982 1030 G CA -0.388 44.546 45.100 -0.276 0.000 0.641 1030 G HN 0.168 nan 8.290 nan 0.000 0.527 1031 F N 1.804 121.740 119.950 -0.022 0.000 2.378 1031 F HA 0.624 5.147 4.527 -0.007 0.000 0.319 1031 F C 1.365 177.139 175.800 -0.044 0.000 1.155 1031 F CA 0.283 58.268 58.000 -0.025 0.000 1.157 1031 F CB 0.920 39.903 39.000 -0.029 0.000 1.252 1031 F HN 0.164 nan 8.300 nan 0.000 0.550 1032 T N -1.485 113.155 114.554 0.144 0.000 2.948 1032 T HA 0.802 5.148 4.350 -0.007 0.000 0.285 1032 T C -0.903 173.814 174.700 0.027 0.000 1.019 1032 T CA -0.835 61.286 62.100 0.035 0.000 1.013 1032 T CB 1.653 70.484 68.868 -0.063 0.000 1.117 1032 T HN 0.355 nan 8.240 nan 0.000 0.533 1033 V N 0.674 120.579 119.914 -0.016 0.000 2.623 1033 V HA 0.726 4.842 4.120 -0.007 0.000 0.304 1033 V C -0.203 175.846 176.094 -0.075 0.000 1.054 1033 V CA -1.073 61.197 62.300 -0.050 0.000 0.882 1033 V CB 1.385 33.184 31.823 -0.040 0.000 1.002 1033 V HN 1.330 nan 8.190 nan 0.000 0.424 1034 A N 4.645 127.399 122.820 -0.110 0.000 2.287 1034 A HA 0.857 5.173 4.320 -0.007 0.000 0.317 1034 A C -0.757 176.705 177.584 -0.203 0.000 1.220 1034 A CA -0.521 51.438 52.037 -0.129 0.000 0.835 1034 A CB 1.336 20.269 19.000 -0.112 0.000 1.180 1034 A HN 0.687 nan 8.150 nan 0.000 0.500 1035 V N 2.841 122.609 119.914 -0.243 0.000 2.398 1035 V HA 0.256 4.372 4.120 -0.007 0.000 0.286 1035 V C 0.506 176.436 176.094 -0.273 0.000 1.026 1035 V CA -0.650 61.426 62.300 -0.374 0.000 0.868 1035 V CB 1.486 32.889 31.823 -0.699 0.000 0.982 1035 V HN 1.016 nan 8.190 nan 0.000 0.443 1036 E N 3.133 123.184 120.200 -0.248 0.000 2.415 1036 E HA 0.076 4.422 4.350 -0.007 0.000 0.263 1036 E C 0.321 176.843 176.600 -0.129 0.000 0.995 1036 E CA -0.103 56.203 56.400 -0.158 0.000 0.915 1036 E CB 0.697 30.317 29.700 -0.133 0.000 0.951 1036 E HN 0.714 nan 8.360 nan 0.000 0.449 1037 S N 2.951 118.610 115.700 -0.069 0.000 2.593 1037 S HA 0.140 4.606 4.470 -0.007 0.000 0.300 1037 S C 1.107 175.703 174.600 -0.007 0.000 1.267 1037 S CA 1.090 59.274 58.200 -0.027 0.000 1.065 1037 S CB -0.050 63.149 63.200 -0.003 0.000 0.807 1037 S HN 0.911 nan 8.310 nan 0.000 0.499 1038 G N 3.308 112.125 108.800 0.028 0.000 2.184 1038 G HA2 -0.308 3.648 3.960 -0.007 0.000 0.264 1038 G HA3 -0.308 3.648 3.960 -0.007 0.000 0.264 1038 G C 1.061 175.995 174.900 0.057 0.000 0.975 1038 G CA 0.640 45.772 45.100 0.054 0.000 0.642 1038 G HN 1.416 nan 8.290 nan 0.000 0.536 1039 A N 0.072 122.895 122.820 0.006 0.000 1.978 1039 A HA 0.295 4.611 4.320 -0.007 0.000 0.220 1039 A C 2.541 180.192 177.584 0.111 0.000 1.170 1039 A CA 2.304 54.340 52.037 -0.003 0.000 0.636 1039 A CB -0.593 18.329 19.000 -0.130 0.000 0.810 1039 A HN 1.650 nan 8.150 nan 0.000 0.448 1040 G N -1.699 107.256 108.800 0.259 0.000 3.088 1040 G HA2 0.191 4.147 3.960 -0.007 0.000 0.217 1040 G HA3 0.191 4.147 3.960 -0.007 0.000 0.217 1040 G C 1.205 176.275 174.900 0.283 0.000 1.159 1040 G CA 0.725 46.096 45.100 0.451 0.000 0.760 1040 G HN 0.560 nan 8.290 nan 0.000 0.550 1041 Q N 0.330 120.235 119.800 0.175 0.000 2.050 1041 Q HA 0.006 4.342 4.340 -0.007 0.000 0.202 1041 Q C 2.206 178.228 176.000 0.036 0.000 0.980 1041 Q CA 1.240 57.100 55.803 0.095 0.000 0.840 1041 Q CB -0.334 28.447 28.738 0.071 0.000 0.898 1041 Q HN 0.443 nan 8.270 nan 0.000 0.424 1042 L N -0.172 121.075 121.223 0.039 0.000 2.362 1042 L HA -0.045 4.291 4.340 -0.007 0.000 0.219 1042 L C 1.773 178.631 176.870 -0.021 0.000 1.134 1042 L CA 0.689 55.533 54.840 0.007 0.000 0.807 1042 L CB -0.322 41.747 42.059 0.017 0.000 0.927 1042 L HN 0.293 nan 8.230 nan 0.000 0.447 1043 A N -1.595 121.220 122.820 -0.008 0.000 2.345 1043 A HA 0.179 4.495 4.320 -0.007 0.000 0.225 1043 A C 1.176 178.520 177.584 -0.401 0.000 1.243 1043 A CA 0.259 52.241 52.037 -0.091 0.000 0.875 1043 A CB 0.058 19.113 19.000 0.091 0.000 0.929 1043 A HN 0.268 nan 8.150 nan 0.000 0.502 1044 S N -1.435 114.086 115.700 -0.298 0.000 3.698 1044 S HA -0.161 4.305 4.470 -0.007 0.000 0.338 1044 S C -0.596 173.657 174.600 -0.579 0.000 1.089 1044 S CA 0.940 58.909 58.200 -0.385 0.000 0.991 1044 S CB -2.117 60.850 63.200 -0.390 0.000 0.909 1044 S HN 0.547 nan 8.310 nan 0.000 0.485 1045 F N 2.037 121.975 119.950 -0.020 0.000 2.430 1045 F HA 0.413 4.937 4.527 -0.005 0.000 0.362 1045 F C 0.350 176.156 175.800 0.011 0.000 1.103 1045 F CA -1.983 55.945 58.000 -0.120 0.000 1.045 1045 F CB 0.890 39.721 39.000 -0.281 0.000 1.276 1045 F HN 0.075 nan 8.300 nan 0.000 0.444 1046 D N 0.047 120.531 120.400 0.140 0.000 2.354 1046 D HA 0.112 4.748 4.640 -0.007 0.000 0.247 1046 D C 0.690 177.131 176.300 0.234 0.000 1.138 1046 D CA -0.415 53.678 54.000 0.154 0.000 0.958 1046 D CB 0.853 41.699 40.800 0.076 0.000 1.144 1046 D HN 0.236 nan 8.370 nan 0.000 0.458 1047 D N -0.123 120.418 120.400 0.234 0.000 2.172 1047 D HA -0.171 4.465 4.640 -0.007 0.000 0.196 1047 D C 1.597 178.019 176.300 0.204 0.000 0.999 1047 D CA 1.292 55.444 54.000 0.254 0.000 0.856 1047 D CB 0.038 40.919 40.800 0.134 0.000 0.934 1047 D HN 0.303 nan 8.370 nan 0.000 0.453 1048 K N 0.579 121.049 120.400 0.117 0.000 2.097 1048 K HA 0.058 4.374 4.320 -0.007 0.000 0.205 1048 K C 2.016 178.644 176.600 0.048 0.000 1.050 1048 K CA 0.908 57.238 56.287 0.072 0.000 0.938 1048 K CB -0.678 31.849 32.500 0.044 0.000 0.718 1048 K HN 0.127 nan 8.250 nan 0.000 0.442 1049 A N 0.459 123.286 122.820 0.012 0.000 1.930 1049 A HA -0.086 4.230 4.320 -0.007 0.000 0.217 1049 A C 2.058 179.564 177.584 -0.130 0.000 1.175 1049 A CA 1.041 53.030 52.037 -0.079 0.000 0.627 1049 A CB -0.657 18.272 19.000 -0.119 0.000 0.815 1049 A HN 0.174 nan 8.150 nan 0.000 0.443 1050 F N -0.152 119.801 119.950 0.005 0.000 2.134 1050 F HA -0.137 4.386 4.527 -0.006 0.000 0.299 1050 F C 2.447 178.232 175.800 -0.026 0.000 1.097 1050 F CA 1.509 59.491 58.000 -0.030 0.000 1.264 1050 F CB -0.678 38.303 39.000 -0.032 0.000 1.001 1050 F HN 0.023 nan 8.300 nan 0.000 0.479 1051 V N -0.230 119.784 119.914 0.167 0.000 2.343 1051 V HA -0.299 3.817 4.120 -0.007 0.000 0.247 1051 V C 2.243 178.366 176.094 0.048 0.000 1.051 1051 V CA 1.821 64.174 62.300 0.088 0.000 1.036 1051 V CB -0.765 31.099 31.823 0.067 0.000 0.654 1051 V HN 0.379 nan 8.190 nan 0.000 0.451 1052 Q N -0.271 119.548 119.800 0.031 0.000 2.226 1052 Q HA -0.161 4.175 4.340 -0.007 0.000 0.204 1052 Q C 2.280 178.280 176.000 -0.001 0.000 0.975 1052 Q CA 1.644 57.452 55.803 0.008 0.000 0.866 1052 Q CB -0.313 28.423 28.738 -0.005 0.000 0.915 1052 Q HN 0.691 nan 8.270 nan 0.000 0.440 1053 A N -0.331 122.488 122.820 -0.002 0.000 2.119 1053 A HA 0.205 4.521 4.320 -0.007 0.000 0.216 1053 A C 1.552 179.143 177.584 0.011 0.000 1.152 1053 A CA 1.158 53.190 52.037 -0.008 0.000 0.708 1053 A CB 0.057 19.039 19.000 -0.029 0.000 0.805 1053 A HN 0.475 nan 8.150 nan 0.000 0.460 1054 G N -2.721 106.094 108.800 0.025 0.000 2.205 1054 G HA2 0.227 4.183 3.960 -0.007 0.000 0.180 1054 G HA3 0.227 4.183 3.960 -0.007 0.000 0.180 1054 G C 0.369 175.283 174.900 0.022 0.000 1.004 1054 G CA 0.104 45.215 45.100 0.018 0.000 0.670 1054 G HN 1.346 nan 8.290 nan 0.000 0.496 1055 A N 0.023 122.872 122.820 0.048 0.000 2.287 1055 A HA 0.724 5.040 4.320 -0.007 0.000 0.273 1055 A C 0.335 177.928 177.584 0.015 0.000 1.091 1055 A CA 0.550 52.604 52.037 0.029 0.000 0.817 1055 A CB 0.677 19.708 19.000 0.052 0.000 1.069 1055 A HN 0.731 nan 8.150 nan 0.000 0.492 1056 E N 0.802 120.990 120.200 -0.019 0.000 2.179 1056 E HA 0.471 4.817 4.350 -0.007 0.000 0.275 1056 E C -1.103 175.472 176.600 -0.041 0.000 0.945 1056 E CA -0.697 55.690 56.400 -0.022 0.000 0.792 1056 E CB 0.794 30.476 29.700 -0.031 0.000 1.125 1056 E HN 0.463 nan 8.360 nan 0.000 0.397 1057 I N 5.002 125.557 120.570 -0.025 0.000 2.365 1057 I HA 0.222 4.388 4.170 -0.007 0.000 0.291 1057 I C 0.320 176.415 176.117 -0.037 0.000 1.004 1057 I CA -0.549 60.727 61.300 -0.039 0.000 1.311 1057 I CB 0.799 38.795 38.000 -0.006 0.000 1.401 1057 I HN 0.440 nan 8.210 nan 0.000 0.491 1058 V N 3.597 123.479 119.914 -0.054 0.000 3.074 1058 V HA 0.677 4.793 4.120 -0.007 0.000 0.314 1058 V C -0.512 175.564 176.094 -0.030 0.000 1.117 1058 V CA -0.834 61.443 62.300 -0.038 0.000 1.014 1058 V CB 2.657 34.452 31.823 -0.047 0.000 1.057 1058 V HN 0.618 nan 8.190 nan 0.000 0.438 1059 E N 1.323 121.518 120.200 -0.009 0.000 2.179 1059 E HA 0.562 4.908 4.350 -0.007 0.000 0.275 1059 E C 0.843 177.456 176.600 0.022 0.000 0.945 1059 E CA 0.270 56.672 56.400 0.004 0.000 0.792 1059 E CB 1.344 31.050 29.700 0.011 0.000 1.125 1059 E HN 1.378 nan 8.360 nan 0.000 0.397 1060 G N 4.333 113.152 108.800 0.032 0.000 2.698 1060 G HA2 -0.484 3.472 3.960 -0.007 0.000 0.346 1060 G HA3 -0.484 3.472 3.960 -0.007 0.000 0.346 1060 G C 1.041 176.011 174.900 0.117 0.000 1.287 1060 G CA 0.954 46.096 45.100 0.070 0.000 0.990 1060 G HN 0.720 nan 8.290 nan 0.000 0.545 1061 N N 0.450 119.242 118.700 0.153 0.000 2.258 1061 N HA -0.129 4.607 4.740 -0.007 0.000 0.187 1061 N C 2.449 178.091 175.510 0.219 0.000 1.012 1061 N CA 1.161 54.357 53.050 0.244 0.000 0.870 1061 N CB -0.183 38.386 38.487 0.136 0.000 0.977 1061 N HN 0.410 nan 8.380 nan 0.000 0.434 1062 S N 0.289 116.051 115.700 0.103 0.000 2.419 1062 S HA -0.101 4.365 4.470 -0.007 0.000 0.235 1062 S C 1.971 176.583 174.600 0.020 0.000 1.019 1062 S CA 0.447 58.682 58.200 0.057 0.000 0.982 1062 S CB -0.196 63.017 63.200 0.022 0.000 0.789 1062 S HN 0.230 nan 8.310 nan 0.000 0.490 1063 V N 0.208 120.094 119.914 -0.046 0.000 2.594 1063 V HA -0.124 3.992 4.120 -0.007 0.000 0.253 1063 V C 1.369 177.299 176.094 -0.274 0.000 1.069 1063 V CA 1.407 63.577 62.300 -0.217 0.000 1.082 1063 V CB -0.487 31.121 31.823 -0.360 0.000 0.680 1063 V HN 0.719 nan 8.190 nan 0.000 0.469 1064 W N -0.664 120.620 121.300 -0.027 0.000 2.699 1064 W HA 0.035 4.691 4.660 -0.007 0.000 0.249 1064 W C 1.514 178.018 176.519 -0.025 0.000 1.280 1064 W CA -0.008 57.322 57.345 -0.024 0.000 1.345 1064 W CB -0.088 29.360 29.460 -0.019 0.000 1.128 1064 W HN 0.212 nan 8.180 nan 0.000 0.642 1065 Q N 0.633 120.509 119.800 0.127 0.000 2.639 1065 Q HA 0.162 4.498 4.340 -0.007 0.000 0.301 1065 Q C -0.142 175.870 176.000 0.020 0.000 1.029 1065 Q CA 0.371 56.213 55.803 0.065 0.000 0.936 1065 Q CB -0.249 28.516 28.738 0.046 0.000 1.354 1065 Q HN -0.010 nan 8.270 nan 0.000 0.417 1066 S N -0.100 115.606 115.700 0.010 0.000 2.566 1066 S HA 0.216 4.682 4.470 -0.007 0.000 0.298 1066 S C 0.991 175.591 174.600 -0.000 0.000 1.083 1066 S CA -0.770 57.422 58.200 -0.014 0.000 0.978 1066 S CB 2.250 65.407 63.200 -0.071 0.000 1.073 1066 S HN 0.406 nan 8.310 nan 0.000 0.491 1067 E N 0.841 121.047 120.200 0.010 0.000 2.208 1067 E HA 0.058 4.404 4.350 -0.007 0.000 0.193 1067 E C -0.334 176.279 176.600 0.021 0.000 0.988 1067 E CA 0.902 57.321 56.400 0.032 0.000 0.828 1067 E CB 0.203 29.959 29.700 0.093 0.000 0.763 1067 E HN 0.553 nan 8.360 nan 0.000 0.478 1068 I N 1.415 121.971 120.570 -0.023 0.000 2.608 1068 I HA 0.290 4.456 4.170 -0.007 0.000 0.295 1068 I C -0.754 175.291 176.117 -0.120 0.000 1.049 1068 I CA -0.955 60.298 61.300 -0.078 0.000 1.063 1068 I CB 2.180 40.082 38.000 -0.162 0.000 1.248 1068 I HN -0.060 nan 8.210 nan 0.000 0.424 1069 I N 6.481 126.982 120.570 -0.116 0.000 2.436 1069 I HA 0.419 4.585 4.170 -0.007 0.000 0.289 1069 I C -0.512 175.511 176.117 -0.157 0.000 1.010 1069 I CA -0.482 60.712 61.300 -0.177 0.000 1.098 1069 I CB 1.813 39.716 38.000 -0.161 0.000 1.266 1069 I HN 0.353 nan 8.210 nan 0.000 0.434 1070 L N 6.582 127.693 121.223 -0.187 0.000 2.296 1070 L HA 0.541 4.877 4.340 -0.007 0.000 0.286 1070 L C 0.082 176.896 176.870 -0.095 0.000 1.023 1070 L CA -0.531 54.223 54.840 -0.143 0.000 0.812 1070 L CB 1.219 43.176 42.059 -0.171 0.000 1.223 1070 L HN 0.517 nan 8.230 nan 0.000 0.421 1071 K N 1.747 122.144 120.400 -0.005 0.000 2.466 1071 K HA 0.499 4.815 4.320 -0.007 0.000 0.260 1071 K C 0.161 176.870 176.600 0.181 0.000 1.011 1071 K CA -0.892 55.432 56.287 0.061 0.000 0.871 1071 K CB 2.670 35.213 32.500 0.071 0.000 1.404 1071 K HN 0.157 nan 8.250 nan 0.000 0.450 1072 V N 0.556 120.557 119.914 0.145 0.000 2.326 1072 V HA -0.071 4.045 4.120 -0.007 0.000 0.237 1072 V C 0.360 176.568 176.094 0.190 0.000 1.044 1072 V CA 0.972 63.312 62.300 0.066 0.000 1.035 1072 V CB -0.353 31.465 31.823 -0.009 0.000 0.675 1072 V HN 0.669 nan 8.190 nan 0.000 0.470 1073 N N -0.056 118.745 118.700 0.170 0.000 2.495 1073 N HA 0.578 5.314 4.740 -0.007 0.000 0.280 1073 N C -0.245 175.370 175.510 0.176 0.000 1.168 1073 N CA 0.070 53.238 53.050 0.198 0.000 0.978 1073 N CB 0.959 39.529 38.487 0.139 0.000 1.191 1073 N HN 0.469 nan 8.380 nan 0.000 0.497 1074 A N 1.399 124.327 122.820 0.180 0.000 2.507 1074 A HA 0.220 4.536 4.320 -0.007 0.000 0.235 1074 A C -2.086 175.578 177.584 0.134 0.000 1.070 1074 A CA -0.709 51.414 52.037 0.144 0.000 0.768 1074 A CB -0.443 18.633 19.000 0.127 0.000 1.011 1074 A HN 0.472 nan 8.150 nan 0.000 0.502 1075 P HA 0.254 nan 4.420 nan 0.000 0.268 1075 P C -0.401 176.928 177.300 0.048 0.000 1.205 1075 P CA 0.090 63.265 63.100 0.124 0.000 0.771 1075 P CB 0.319 32.080 31.700 0.102 0.000 0.858 1076 L N 2.268 123.508 121.223 0.028 0.000 2.475 1076 L HA 0.120 4.456 4.340 -0.007 0.000 0.253 1076 L C 1.668 178.508 176.870 -0.050 0.000 1.198 1076 L CA -0.376 54.462 54.840 -0.003 0.000 0.814 1076 L CB 0.062 42.125 42.059 0.005 0.000 1.134 1076 L HN 0.316 nan 8.230 nan 0.000 0.478 1077 D N 0.466 120.839 120.400 -0.045 0.000 2.133 1077 D HA -0.220 4.416 4.640 -0.007 0.000 0.195 1077 D C 1.523 177.761 176.300 -0.103 0.000 0.997 1077 D CA 1.858 55.820 54.000 -0.063 0.000 0.840 1077 D CB -0.162 40.612 40.800 -0.044 0.000 0.947 1077 D HN 0.684 nan 8.370 nan 0.000 0.452 1078 D N 0.386 120.723 120.400 -0.105 0.000 2.269 1078 D HA -0.132 4.504 4.640 -0.007 0.000 0.208 1078 D C 1.374 177.519 176.300 -0.258 0.000 0.963 1078 D CA 0.599 54.515 54.000 -0.141 0.000 0.864 1078 D CB -0.199 40.543 40.800 -0.096 0.000 0.936 1078 D HN 0.303 nan 8.370 nan 0.000 0.505 1079 E N 0.650 120.666 120.200 -0.307 0.000 2.076 1079 E HA -0.013 4.333 4.350 -0.007 0.000 0.190 1079 E C 2.479 178.668 176.600 -0.685 0.000 0.979 1079 E CA 0.275 56.283 56.400 -0.653 0.000 0.807 1079 E CB 0.079 29.505 29.700 -0.456 0.000 0.761 1079 E HN 0.318 nan 8.360 nan 0.000 0.454 1080 I N 1.522 121.887 120.570 -0.343 0.000 2.208 1080 I HA -0.292 3.874 4.170 -0.007 0.000 0.245 1080 I C 2.497 178.483 176.117 -0.218 0.000 1.097 1080 I CA 1.055 62.223 61.300 -0.221 0.000 1.363 1080 I CB -0.304 37.630 38.000 -0.110 0.000 1.051 1080 I HN 0.081 nan 8.210 nan 0.000 0.413 1081 A N 0.384 123.074 122.820 -0.216 0.000 2.125 1081 A HA -0.079 4.237 4.320 -0.007 0.000 0.219 1081 A C 2.133 179.602 177.584 -0.193 0.000 1.156 1081 A CA 1.170 53.106 52.037 -0.167 0.000 0.671 1081 A CB -0.585 18.333 19.000 -0.136 0.000 0.794 1081 A HN 0.464 nan 8.150 nan 0.000 0.459 1082 L N -0.636 120.389 121.223 -0.330 0.000 2.592 1082 L HA 0.205 4.541 4.340 -0.007 0.000 0.227 1082 L C -0.046 176.732 176.870 -0.154 0.000 1.127 1082 L CA -0.312 54.349 54.840 -0.298 0.000 0.884 1082 L CB -0.177 41.561 42.059 -0.535 0.000 1.065 1082 L HN 0.233 nan 8.230 nan 0.000 0.457 1083 L N 1.296 122.434 121.223 -0.143 0.000 2.418 1083 L HA 0.041 4.377 4.340 -0.007 0.000 0.274 1083 L C -0.021 176.864 176.870 0.025 0.000 1.135 1083 L CA 0.192 55.049 54.840 0.029 0.000 0.870 1083 L CB 0.080 42.157 42.059 0.031 0.000 1.154 1083 L HN 0.229 nan 8.230 nan 0.000 0.462 1084 N N 4.904 123.638 118.700 0.057 0.000 2.518 1084 N HA 0.292 5.028 4.740 -0.007 0.000 0.283 1084 N C -2.490 173.040 175.510 0.033 0.000 1.119 1084 N CA -1.470 51.600 53.050 0.033 0.000 0.983 1084 N CB 0.615 39.122 38.487 0.032 0.000 1.139 1084 N HN 0.334 nan 8.380 nan 0.000 0.465 1085 P HA -0.060 nan 4.420 nan 0.000 0.263 1085 P C 0.840 178.159 177.300 0.031 0.000 1.168 1085 P CA 1.122 64.236 63.100 0.024 0.000 0.759 1085 P CB 0.342 32.052 31.700 0.018 0.000 0.782 1086 G N 1.331 110.151 108.800 0.034 0.000 2.176 1086 G HA2 -0.232 3.724 3.960 -0.007 0.000 0.253 1086 G HA3 -0.232 3.724 3.960 -0.007 0.000 0.253 1086 G C 0.396 175.324 174.900 0.048 0.000 0.979 1086 G CA 0.177 45.302 45.100 0.042 0.000 0.641 1086 G HN 0.618 nan 8.290 nan 0.000 0.530 1087 T N 1.760 116.342 114.554 0.047 0.000 2.919 1087 T HA 0.498 4.844 4.350 -0.007 0.000 0.302 1087 T C 0.416 175.143 174.700 0.045 0.000 1.031 1087 T CA 0.936 63.067 62.100 0.052 0.000 1.127 1087 T CB 1.181 70.094 68.868 0.074 0.000 0.952 1087 T HN 0.193 nan 8.240 nan 0.000 0.540 1088 T N 3.949 118.523 114.554 0.032 0.000 2.756 1088 T HA 0.449 4.795 4.350 -0.007 0.000 0.290 1088 T C -0.526 174.177 174.700 0.004 0.000 0.985 1088 T CA -0.587 61.524 62.100 0.019 0.000 0.955 1088 T CB 0.572 69.444 68.868 0.007 0.000 0.930 1088 T HN 0.323 nan 8.240 nan 0.000 0.451 1089 L N 5.883 127.117 121.223 0.019 0.000 2.282 1089 L HA 0.705 5.041 4.340 -0.007 0.000 0.288 1089 L C -0.980 175.882 176.870 -0.013 0.000 1.033 1089 L CA -0.396 54.456 54.840 0.020 0.000 0.807 1089 L CB 1.009 43.110 42.059 0.070 0.000 1.209 1089 L HN 0.394 nan 8.230 nan 0.000 0.423 1090 V N 4.897 124.783 119.914 -0.047 0.000 2.409 1090 V HA 0.892 5.008 4.120 -0.007 0.000 0.291 1090 V C -0.170 175.889 176.094 -0.058 0.000 1.020 1090 V CA 0.138 62.392 62.300 -0.078 0.000 0.848 1090 V CB 1.018 32.760 31.823 -0.136 0.000 0.990 1090 V HN 1.013 nan 8.190 nan 0.000 0.430 1091 S N 3.910 119.573 115.700 -0.062 0.000 2.615 1091 S HA 0.683 5.149 4.470 -0.007 0.000 0.268 1091 S C -0.984 173.542 174.600 -0.124 0.000 1.146 1091 S CA -0.815 57.369 58.200 -0.026 0.000 0.818 1091 S CB 0.849 64.087 63.200 0.063 0.000 1.111 1091 S HN 0.230 nan 8.310 nan 0.000 0.465 1092 F N 1.332 121.300 119.950 0.029 0.000 2.563 1092 F HA 0.369 4.891 4.527 -0.007 0.000 0.363 1092 F C 1.411 177.145 175.800 -0.110 0.000 1.123 1092 F CA -0.128 57.794 58.000 -0.129 0.000 1.307 1092 F CB 0.226 39.206 39.000 -0.033 0.000 1.115 1092 F HN 0.487 nan 8.300 nan 0.000 0.592 1093 I N -0.041 120.482 120.570 -0.078 0.000 4.193 1093 I HA 0.028 4.194 4.170 -0.007 0.000 0.287 1093 I C -0.437 175.715 176.117 0.058 0.000 1.175 1093 I CA -0.057 61.233 61.300 -0.017 0.000 1.320 1093 I CB -0.619 37.329 38.000 -0.087 0.000 1.523 1093 I HN 0.767 nan 8.210 nan 0.000 0.450 1094 W N 2.221 123.510 121.300 -0.018 0.000 5.655 1094 W HA -0.145 4.511 4.660 -0.007 0.000 0.428 1094 W C -1.760 174.629 176.519 -0.218 0.000 1.712 1094 W CA -0.361 56.938 57.345 -0.077 0.000 0.956 1094 W CB -1.842 27.596 29.460 -0.037 0.000 2.931 1094 W HN 0.126 nan 8.180 nan 0.000 1.293 1095 P HA -0.228 nan 4.420 nan 0.000 0.218 1095 P C 1.640 178.538 177.300 -0.670 0.000 1.149 1095 P CA 2.846 65.531 63.100 -0.691 0.000 0.817 1095 P CB -0.072 30.733 31.700 -1.493 0.000 0.785 1096 A N 0.024 122.576 122.820 -0.446 0.000 1.877 1096 A HA -0.227 4.089 4.320 -0.007 0.000 0.216 1096 A C 2.187 179.779 177.584 0.013 0.000 1.186 1096 A CA 1.784 53.800 52.037 -0.035 0.000 0.620 1096 A CB -1.395 17.762 19.000 0.261 0.000 0.822 1096 A HN 0.132 nan 8.150 nan 0.000 0.443 1097 Q N 0.139 119.958 119.800 0.032 0.000 2.435 1097 Q HA 0.097 4.432 4.340 -0.007 0.000 0.207 1097 Q C -0.206 175.795 176.000 0.002 0.000 0.956 1097 Q CA 0.667 56.483 55.803 0.022 0.000 0.917 1097 Q CB 0.207 28.949 28.738 0.007 0.000 0.997 1097 Q HN 0.640 nan 8.270 nan 0.000 0.497 1098 N N 0.045 118.730 118.700 -0.025 0.000 2.703 1098 N HA 0.130 4.866 4.740 -0.007 0.000 0.283 1098 N C -2.359 173.118 175.510 -0.056 0.000 1.851 1098 N CA -0.842 52.192 53.050 -0.026 0.000 0.826 1098 N CB 1.358 39.848 38.487 0.004 0.000 1.239 1098 N HN 0.057 nan 8.380 nan 0.000 0.495 1099 P HA -0.146 nan 4.420 nan 0.000 0.216 1099 P C 0.877 178.172 177.300 -0.009 0.000 1.153 1099 P CA 1.516 64.602 63.100 -0.024 0.000 0.848 1099 P CB 0.506 32.218 31.700 0.019 0.000 0.787 1100 E N 0.596 120.795 120.200 -0.003 0.000 2.070 1100 E HA -0.199 4.147 4.350 -0.007 0.000 0.197 1100 E C 2.120 178.717 176.600 -0.004 0.000 1.004 1100 E CA 0.910 57.310 56.400 -0.000 0.000 0.805 1100 E CB -1.783 27.917 29.700 0.001 0.000 0.744 1100 E HN 0.194 nan 8.360 nan 0.000 0.451 1101 L N -0.034 121.183 121.223 -0.009 0.000 2.017 1101 L HA -0.127 4.209 4.340 -0.007 0.000 0.208 1101 L C 2.071 178.933 176.870 -0.013 0.000 1.073 1101 L CA 1.827 56.662 54.840 -0.008 0.000 0.745 1101 L CB -0.411 41.648 42.059 -0.001 0.000 0.894 1101 L HN 0.102 nan 8.230 nan 0.000 0.432 1102 M N -0.818 118.765 119.600 -0.029 0.000 2.106 1102 M HA -0.248 4.228 4.480 -0.007 0.000 0.259 1102 M C 2.383 178.685 176.300 0.003 0.000 1.068 1102 M CA 1.850 57.134 55.300 -0.026 0.000 1.100 1102 M CB -1.265 31.303 32.600 -0.055 0.000 1.351 1102 M HN 0.449 nan 8.290 nan 0.000 0.404 1103 Q N 0.733 120.537 119.800 0.007 0.000 2.050 1103 Q HA -0.107 4.229 4.340 -0.007 0.000 0.202 1103 Q C 1.864 177.869 176.000 0.009 0.000 0.980 1103 Q CA 1.844 57.656 55.803 0.015 0.000 0.840 1103 Q CB -0.149 28.598 28.738 0.015 0.000 0.898 1103 Q HN 0.444 nan 8.270 nan 0.000 0.424 1104 K N -0.472 119.929 120.400 0.001 0.000 2.097 1104 K HA -0.078 4.238 4.320 -0.007 0.000 0.206 1104 K C 2.098 178.696 176.600 -0.005 0.000 1.049 1104 K CA 1.254 57.537 56.287 -0.006 0.000 0.933 1104 K CB -0.150 32.342 32.500 -0.014 0.000 0.717 1104 K HN 0.207 nan 8.250 nan 0.000 0.442 1105 L N 0.386 121.609 121.223 0.001 0.000 2.056 1105 L HA -0.161 4.175 4.340 -0.007 0.000 0.207 1105 L C 2.558 179.438 176.870 0.017 0.000 1.078 1105 L CA 1.085 55.930 54.840 0.009 0.000 0.749 1105 L CB -0.560 41.509 42.059 0.016 0.000 0.901 1105 L HN 0.184 nan 8.230 nan 0.000 0.433 1106 A N 0.106 122.938 122.820 0.021 0.000 1.908 1106 A HA -0.252 4.064 4.320 -0.007 0.000 0.218 1106 A C 2.149 179.746 177.584 0.021 0.000 1.181 1106 A CA 1.888 53.942 52.037 0.029 0.000 0.627 1106 A CB -0.511 18.511 19.000 0.036 0.000 0.818 1106 A HN 0.481 nan 8.150 nan 0.000 0.445 1107 E N -0.737 119.471 120.200 0.014 0.000 2.268 1107 E HA -0.127 4.219 4.350 -0.007 0.000 0.195 1107 E C 1.680 178.282 176.600 0.004 0.000 0.995 1107 E CA 0.465 56.870 56.400 0.008 0.000 0.836 1107 E CB -0.036 29.665 29.700 0.002 0.000 0.763 1107 E HN 0.327 nan 8.360 nan 0.000 0.491 1108 R N 0.823 121.325 120.500 0.004 0.000 2.323 1108 R HA 0.040 4.376 4.340 -0.007 0.000 0.198 1108 R C 0.117 176.426 176.300 0.014 0.000 0.988 1108 R CA 0.057 56.159 56.100 0.003 0.000 1.041 1108 R CB -0.576 29.724 30.300 -0.001 0.000 0.926 1108 R HN 0.131 nan 8.270 nan 0.000 0.476 1109 N N 0.542 119.253 118.700 0.018 0.000 2.714 1109 N HA -0.138 4.598 4.740 -0.007 0.000 0.253 1109 N C -0.155 175.371 175.510 0.026 0.000 1.024 1109 N CA 1.091 54.154 53.050 0.021 0.000 0.726 1109 N CB -1.337 37.161 38.487 0.017 0.000 0.908 1109 N HN 0.217 nan 8.380 nan 0.000 0.542 1110 V N -3.597 116.335 119.914 0.031 0.000 3.177 1110 V HA 0.785 4.901 4.120 -0.007 0.000 0.319 1110 V C 0.823 176.940 176.094 0.039 0.000 1.125 1110 V CA -0.581 61.742 62.300 0.037 0.000 1.029 1110 V CB 2.194 34.044 31.823 0.046 0.000 1.119 1110 V HN 0.089 nan 8.190 nan 0.000 0.452 1111 T N 1.310 115.888 114.554 0.040 0.000 2.824 1111 T HA 0.705 5.051 4.350 -0.007 0.000 0.280 1111 T C -0.620 174.107 174.700 0.044 0.000 0.995 1111 T CA -0.288 61.839 62.100 0.044 0.000 1.009 1111 T CB 1.394 70.283 68.868 0.034 0.000 0.955 1111 T HN 0.728 nan 8.240 nan 0.000 0.452 1112 V N 4.799 124.744 119.914 0.051 0.000 2.531 1112 V HA 0.475 4.591 4.120 -0.007 0.000 0.301 1112 V C -0.506 175.610 176.094 0.035 0.000 1.034 1112 V CA -0.905 61.416 62.300 0.036 0.000 0.865 1112 V CB 1.831 33.671 31.823 0.029 0.000 0.995 1112 V HN 0.792 nan 8.190 nan 0.000 0.424 1113 M N 4.111 123.714 119.600 0.005 0.000 2.101 1113 M HA 0.584 5.060 4.480 -0.007 0.000 0.340 1113 M C 0.036 176.302 176.300 -0.057 0.000 1.057 1113 M CA -0.406 54.886 55.300 -0.013 0.000 0.984 1113 M CB 1.315 33.895 32.600 -0.034 0.000 1.560 1113 M HN 0.704 nan 8.290 nan 0.000 0.435 1114 A N 4.863 127.644 122.820 -0.064 0.000 2.252 1114 A HA 0.518 4.834 4.320 -0.007 0.000 0.309 1114 A C 1.039 178.526 177.584 -0.163 0.000 1.285 1114 A CA -0.499 51.464 52.037 -0.124 0.000 0.900 1114 A CB 0.479 19.398 19.000 -0.136 0.000 1.157 1114 A HN 0.852 nan 8.150 nan 0.000 0.536 1115 M N 1.477 120.925 119.600 -0.253 0.000 2.476 1115 M HA -0.082 4.394 4.480 -0.007 0.000 0.262 1115 M C 1.301 177.494 176.300 -0.178 0.000 1.079 1115 M CA 1.123 56.245 55.300 -0.296 0.000 1.104 1115 M CB -0.940 31.331 32.600 -0.549 0.000 1.409 1115 M HN 0.881 nan 8.290 nan 0.000 0.467 1116 D N -1.436 118.846 120.400 -0.196 0.000 2.371 1116 D HA -0.045 4.591 4.640 -0.007 0.000 0.221 1116 D C 0.756 176.945 176.300 -0.184 0.000 0.986 1116 D CA 0.628 54.438 54.000 -0.315 0.000 0.899 1116 D CB -0.149 39.907 40.800 -1.240 0.000 0.902 1116 D HN 0.212 nan 8.370 nan 0.000 0.530 1117 S N 0.087 115.724 115.700 -0.104 0.000 2.578 1117 S HA 0.141 4.607 4.470 -0.007 0.000 0.231 1117 S C 0.544 175.152 174.600 0.012 0.000 0.994 1117 S CA -0.512 57.690 58.200 0.002 0.000 0.956 1117 S CB 0.927 64.165 63.200 0.063 0.000 0.870 1117 S HN 0.082 nan 8.310 nan 0.000 0.494 1118 V N 4.971 124.880 119.914 -0.009 0.000 2.509 1118 V HA 0.075 4.191 4.120 -0.007 0.000 0.297 1118 V C -2.138 173.964 176.094 0.014 0.000 1.014 1118 V CA -1.200 61.099 62.300 -0.002 0.000 1.127 1118 V CB -0.422 31.398 31.823 -0.005 0.000 0.925 1118 V HN 0.208 nan 8.190 nan 0.000 0.480 1119 P HA 0.183 nan 4.420 nan 0.000 0.268 1119 P C -0.171 177.139 177.300 0.016 0.000 1.205 1119 P CA -0.216 62.890 63.100 0.010 0.000 0.771 1119 P CB 0.369 32.066 31.700 -0.006 0.000 0.858 1120 R N 2.755 123.268 120.500 0.022 0.000 4.496 1120 R HA 0.250 4.585 4.340 -0.007 0.000 0.211 1120 R C 0.511 176.821 176.300 0.017 0.000 1.738 1120 R CA -0.163 55.953 56.100 0.026 0.000 1.528 1120 R CB -0.931 29.391 30.300 0.036 0.000 1.414 1120 R HN 0.558 nan 8.270 nan 0.000 0.812 1121 I N -3.471 117.105 120.570 0.011 0.000 2.750 1121 I HA 0.367 4.533 4.170 -0.007 0.000 0.308 1121 I C 0.889 177.011 176.117 0.009 0.000 1.016 1121 I CA -0.735 60.570 61.300 0.007 0.000 1.098 1121 I CB 2.227 40.228 38.000 0.002 0.000 1.279 1121 I HN -0.051 nan 8.210 nan 0.000 0.454 1122 S N 2.042 117.746 115.700 0.007 0.000 2.383 1122 S HA -0.180 4.286 4.470 -0.007 0.000 0.229 1122 S C 1.718 176.322 174.600 0.006 0.000 1.030 1122 S CA 1.929 60.133 58.200 0.008 0.000 1.002 1122 S CB -0.532 62.672 63.200 0.006 0.000 0.829 1122 S HN 0.826 nan 8.310 nan 0.000 0.467 1123 R N 1.375 121.878 120.500 0.004 0.000 2.280 1123 R HA 0.234 4.570 4.340 -0.007 0.000 0.207 1123 R C 1.551 177.852 176.300 0.003 0.000 1.043 1123 R CA 1.017 57.118 56.100 0.003 0.000 1.006 1123 R CB -0.243 30.058 30.300 0.002 0.000 0.885 1123 R HN 0.296 nan 8.270 nan 0.000 0.467 1124 A N 0.650 123.472 122.820 0.004 0.000 2.308 1124 A HA 0.103 4.419 4.320 -0.007 0.000 0.217 1124 A C 1.600 179.188 177.584 0.006 0.000 1.216 1124 A CA -0.270 51.769 52.037 0.002 0.000 0.864 1124 A CB 0.056 19.057 19.000 0.002 0.000 0.902 1124 A HN 0.374 nan 8.150 nan 0.000 0.499 1125 Q N 0.419 120.225 119.800 0.010 0.000 2.152 1125 Q HA -0.211 4.125 4.340 -0.007 0.000 0.206 1125 Q C 2.273 178.281 176.000 0.013 0.000 0.985 1125 Q CA 2.089 57.902 55.803 0.016 0.000 0.863 1125 Q CB -0.276 28.472 28.738 0.017 0.000 0.904 1125 Q HN 0.828 nan 8.270 nan 0.000 0.422 1126 S N -0.189 115.513 115.700 0.003 0.000 2.474 1126 S HA -0.029 4.437 4.470 -0.007 0.000 0.235 1126 S C 1.604 176.193 174.600 -0.018 0.000 0.997 1126 S CA 0.604 58.801 58.200 -0.004 0.000 0.949 1126 S CB -0.056 63.139 63.200 -0.008 0.000 0.766 1126 S HN 0.315 nan 8.310 nan 0.000 0.517 1127 L N 0.721 121.932 121.223 -0.019 0.000 2.616 1127 L HA 0.290 4.626 4.340 -0.007 0.000 0.229 1127 L C 0.548 177.404 176.870 -0.023 0.000 1.110 1127 L CA 0.050 54.866 54.840 -0.040 0.000 0.884 1127 L CB -0.287 41.748 42.059 -0.040 0.000 1.115 1127 L HN 0.256 nan 8.230 nan 0.000 0.481 1128 D N 1.483 121.891 120.400 0.013 0.000 2.416 1128 D HA 0.171 4.807 4.640 -0.007 0.000 0.240 1128 D C 1.029 177.388 176.300 0.098 0.000 1.250 1128 D CA 0.106 54.136 54.000 0.049 0.000 0.967 1128 D CB 1.659 42.492 40.800 0.056 0.000 1.059 1128 D HN 0.127 nan 8.370 nan 0.000 0.512 1129 A N 4.347 127.245 122.820 0.129 0.000 1.969 1129 A HA -0.115 4.201 4.320 -0.007 0.000 0.218 1129 A C 2.304 180.105 177.584 0.362 0.000 1.169 1129 A CA 0.691 52.897 52.037 0.281 0.000 0.635 1129 A CB -0.255 18.936 19.000 0.319 0.000 0.810 1129 A HN 0.676 nan 8.150 nan 0.000 0.445 1130 L N -0.582 120.827 121.223 0.308 0.000 2.083 1130 L HA -0.163 4.173 4.340 -0.007 0.000 0.209 1130 L C 2.810 179.789 176.870 0.182 0.000 1.083 1130 L CA 1.480 56.475 54.840 0.259 0.000 0.752 1130 L CB -0.450 41.745 42.059 0.228 0.000 0.899 1130 L HN 0.314 nan 8.230 nan 0.000 0.433 1131 S N -0.801 114.988 115.700 0.148 0.000 2.368 1131 S HA -0.144 4.322 4.470 -0.007 0.000 0.224 1131 S C 2.224 176.895 174.600 0.118 0.000 1.029 1131 S CA 1.310 59.579 58.200 0.116 0.000 0.988 1131 S CB -0.066 63.187 63.200 0.089 0.000 0.838 1131 S HN 0.319 nan 8.310 nan 0.000 0.462 1132 S N 1.453 117.235 115.700 0.136 0.000 2.365 1132 S HA -0.078 4.388 4.470 -0.007 0.000 0.225 1132 S C 1.900 176.582 174.600 0.136 0.000 1.039 1132 S CA 1.217 59.496 58.200 0.133 0.000 1.033 1132 S CB -0.282 63.020 63.200 0.169 0.000 0.887 1132 S HN 0.343 nan 8.310 nan 0.000 0.447 1133 M N 0.827 120.525 119.600 0.164 0.000 2.200 1133 M HA 0.144 4.620 4.480 -0.007 0.000 0.265 1133 M C 2.425 178.788 176.300 0.105 0.000 1.066 1133 M CA 0.977 56.357 55.300 0.133 0.000 1.127 1133 M CB -1.731 30.948 32.600 0.132 0.000 1.379 1133 M HN 0.349 nan 8.290 nan 0.000 0.420 1134 A N 0.499 123.383 122.820 0.107 0.000 1.930 1134 A HA -0.183 4.133 4.320 -0.007 0.000 0.217 1134 A C 2.126 179.766 177.584 0.094 0.000 1.175 1134 A CA 1.867 53.959 52.037 0.093 0.000 0.627 1134 A CB -1.031 18.025 19.000 0.093 0.000 0.815 1134 A HN 0.620 nan 8.150 nan 0.000 0.443 1135 N N 0.042 118.799 118.700 0.095 0.000 2.084 1135 N HA -0.155 4.581 4.740 -0.007 0.000 0.190 1135 N C 1.715 177.290 175.510 0.110 0.000 1.030 1135 N CA 1.733 54.838 53.050 0.093 0.000 0.849 1135 N CB -0.163 38.370 38.487 0.075 0.000 1.012 1135 N HN 0.353 nan 8.380 nan 0.000 0.423 1136 I N 1.764 122.392 120.570 0.098 0.000 2.163 1136 I HA -0.222 3.944 4.170 -0.007 0.000 0.243 1136 I C 2.627 178.838 176.117 0.156 0.000 1.085 1136 I CA 1.106 62.470 61.300 0.107 0.000 1.347 1136 I CB -1.717 36.333 38.000 0.084 0.000 1.044 1136 I HN 0.149 nan 8.210 nan 0.000 0.408 1137 A N 0.918 123.810 122.820 0.120 0.000 1.940 1137 A HA -0.109 4.207 4.320 -0.007 0.000 0.219 1137 A C 2.495 180.145 177.584 0.111 0.000 1.176 1137 A CA 1.901 54.003 52.037 0.108 0.000 0.631 1137 A CB -1.259 17.789 19.000 0.081 0.000 0.814 1137 A HN 0.461 nan 8.150 nan 0.000 0.446 1138 G N -1.805 107.066 108.800 0.117 0.000 2.394 1138 G HA2 -0.211 3.745 3.960 -0.007 0.000 0.215 1138 G HA3 -0.211 3.745 3.960 -0.007 0.000 0.215 1138 G C 1.530 176.497 174.900 0.111 0.000 1.165 1138 G CA 1.138 46.299 45.100 0.102 0.000 0.784 1138 G HN 0.600 nan 8.290 nan 0.000 0.535 1139 Y N 1.464 121.785 120.300 0.035 0.000 2.097 1139 Y HA -0.157 4.389 4.550 -0.006 0.000 0.282 1139 Y C 2.917 178.828 175.900 0.018 0.000 1.152 1139 Y CA 2.334 60.448 58.100 0.024 0.000 1.136 1139 Y CB -0.107 38.367 38.460 0.024 0.000 0.975 1139 Y HN 0.149 nan 8.280 nan 0.000 0.498 1140 R N 0.971 121.581 120.500 0.183 0.000 2.115 1140 R HA -0.049 4.287 4.340 -0.007 0.000 0.230 1140 R C 2.212 178.513 176.300 0.001 0.000 1.111 1140 R CA 1.306 57.458 56.100 0.087 0.000 0.976 1140 R CB -0.985 29.411 30.300 0.160 0.000 0.870 1140 R HN 0.474 nan 8.270 nan 0.000 0.445 1141 A N 0.653 123.487 122.820 0.022 0.000 1.908 1141 A HA -0.121 4.195 4.320 -0.007 0.000 0.218 1141 A C 1.955 179.522 177.584 -0.028 0.000 1.181 1141 A CA 1.478 53.527 52.037 0.020 0.000 0.627 1141 A CB -0.467 18.550 19.000 0.029 0.000 0.818 1141 A HN 0.273 nan 8.150 nan 0.000 0.445 1142 I N -0.252 120.259 120.570 -0.098 0.000 2.439 1142 I HA -0.132 4.034 4.170 -0.007 0.000 0.251 1142 I C 2.467 178.428 176.117 -0.259 0.000 1.139 1142 I CA 0.924 62.129 61.300 -0.158 0.000 1.438 1142 I CB -1.171 36.715 38.000 -0.190 0.000 1.085 1142 I HN 0.126 nan 8.210 nan 0.000 0.427 1143 V N 0.896 120.632 119.914 -0.296 0.000 2.343 1143 V HA -0.210 3.906 4.120 -0.007 0.000 0.247 1143 V C 2.546 178.592 176.094 -0.079 0.000 1.051 1143 V CA 1.515 63.668 62.300 -0.244 0.000 1.036 1143 V CB -0.480 31.197 31.823 -0.243 0.000 0.654 1143 V HN 0.365 nan 8.190 nan 0.000 0.451 1144 E N 0.319 120.514 120.200 -0.009 0.000 2.072 1144 E HA -0.158 4.188 4.350 -0.007 0.000 0.191 1144 E C 2.370 179.039 176.600 0.115 0.000 0.985 1144 E CA 1.435 57.897 56.400 0.102 0.000 0.801 1144 E CB -0.526 29.274 29.700 0.166 0.000 0.750 1144 E HN 0.570 nan 8.360 nan 0.000 0.452 1145 A N 1.792 124.647 122.820 0.058 0.000 1.883 1145 A HA -0.123 4.193 4.320 -0.007 0.000 0.217 1145 A C 2.471 180.163 177.584 0.179 0.000 1.186 1145 A CA 2.278 54.380 52.037 0.108 0.000 0.624 1145 A CB -0.711 18.362 19.000 0.122 0.000 0.822 1145 A HN 0.275 nan 8.150 nan 0.000 0.444 1146 A N -1.164 121.645 122.820 -0.019 0.000 1.908 1146 A HA -0.211 4.105 4.320 -0.007 0.000 0.218 1146 A C 2.030 179.698 177.584 0.139 0.000 1.181 1146 A CA 2.215 54.226 52.037 -0.043 0.000 0.627 1146 A CB -0.901 17.854 19.000 -0.409 0.000 0.818 1146 A HN 0.760 nan 8.150 nan 0.000 0.445 1147 H N -0.151 118.934 119.070 0.025 0.000 2.387 1147 H HA -0.056 4.497 4.556 -0.004 0.000 0.299 1147 H C 1.735 177.115 175.328 0.086 0.000 1.090 1147 H CA 1.878 57.955 56.048 0.049 0.000 1.332 1147 H CB 0.160 29.944 29.762 0.037 0.000 1.386 1147 H HN 0.431 nan 8.280 nan 0.000 0.516 1148 E N -0.545 119.732 120.200 0.129 0.000 2.385 1148 E HA -0.046 4.300 4.350 -0.007 0.000 0.194 1148 E C -0.073 176.612 176.600 0.141 0.000 1.013 1148 E CA -0.079 56.370 56.400 0.082 0.000 0.866 1148 E CB -0.097 29.673 29.700 0.117 0.000 0.832 1148 E HN 0.269 nan 8.360 nan 0.000 0.500 1149 F N 1.221 121.197 119.950 0.044 0.000 2.399 1149 F HA 0.387 4.915 4.527 0.002 0.000 0.342 1149 F C 1.454 177.261 175.800 0.013 0.000 1.106 1149 F CA -0.454 57.584 58.000 0.065 0.000 1.196 1149 F CB 1.367 40.492 39.000 0.208 0.000 1.163 1149 F HN -0.124 nan 8.300 nan 0.000 0.547 1150 G N 5.160 113.669 108.800 -0.485 0.000 3.189 1150 G HA2 0.186 4.142 3.960 -0.007 0.000 0.225 1150 G HA3 0.186 4.142 3.960 -0.007 0.000 0.225 1150 G C 0.387 174.939 174.900 -0.580 0.000 1.159 1150 G CA -0.278 44.567 45.100 -0.424 0.000 0.763 1150 G HN 0.509 nan 8.290 nan 0.000 0.549 1151 R N -1.081 118.853 120.500 -0.943 0.000 2.912 1151 R HA 0.485 4.821 4.340 -0.007 0.000 0.262 1151 R C -1.039 175.137 176.300 -0.207 0.000 1.057 1151 R CA -0.971 54.727 56.100 -0.670 0.000 0.981 1151 R CB 1.239 31.084 30.300 -0.759 0.000 1.201 1151 R HN 0.033 nan 8.270 nan 0.000 0.484 1152 F N 1.254 121.201 119.950 -0.004 0.000 2.608 1152 F HA -0.013 4.508 4.527 -0.010 0.000 0.380 1152 F C 1.400 177.398 175.800 0.330 0.000 1.083 1152 F CA 0.180 58.272 58.000 0.154 0.000 1.266 1152 F CB 0.010 39.068 39.000 0.095 0.000 1.076 1152 F HN 0.484 nan 8.300 nan 0.000 0.574 1153 F N 0.821 121.019 119.950 0.413 0.000 2.163 1153 F HA -0.077 4.443 4.527 -0.011 0.000 0.297 1153 F C 1.567 177.473 175.800 0.175 0.000 1.094 1153 F CA 1.035 59.200 58.000 0.275 0.000 1.290 1153 F CB -0.369 38.734 39.000 0.172 0.000 1.017 1153 F HN 0.201 nan 8.300 nan 0.000 0.483 1154 T N 0.773 115.516 114.554 0.314 0.000 2.749 1154 T HA 0.439 4.785 4.350 -0.007 0.000 0.295 1154 T C 0.610 175.318 174.700 0.012 0.000 0.936 1154 T CA -0.301 61.863 62.100 0.107 0.000 1.060 1154 T CB 0.776 69.644 68.868 0.001 0.000 0.904 1154 T HN 0.267 nan 8.240 nan 0.000 0.500 1155 G N 2.163 110.976 108.800 0.022 0.000 2.554 1155 G HA2 0.414 4.370 3.960 -0.007 0.000 0.238 1155 G HA3 0.414 4.370 3.960 -0.007 0.000 0.238 1155 G C -0.559 174.302 174.900 -0.065 0.000 1.259 1155 G CA -0.207 44.894 45.100 0.003 0.000 0.843 1155 G HN 0.692 nan 8.290 nan 0.000 0.582 1156 Q N -0.109 119.656 119.800 -0.059 0.000 2.468 1156 Q HA 0.226 4.562 4.340 -0.007 0.000 0.263 1156 Q C -1.234 174.745 176.000 -0.035 0.000 0.979 1156 Q CA -0.668 55.076 55.803 -0.099 0.000 0.932 1156 Q CB 1.752 30.336 28.738 -0.256 0.000 1.462 1156 Q HN 0.558 nan 8.270 nan 0.000 0.403 1157 I N 3.075 123.629 120.570 -0.027 0.000 2.312 1157 I HA 0.305 4.471 4.170 -0.007 0.000 0.291 1157 I C 0.419 176.535 176.117 -0.001 0.000 1.031 1157 I CA -0.040 61.258 61.300 -0.004 0.000 1.293 1157 I CB 1.211 39.209 38.000 -0.003 0.000 1.403 1157 I HN 0.561 nan 8.210 nan 0.000 0.484 1158 T N 2.239 116.806 114.554 0.021 0.000 2.942 1158 T HA 0.584 4.930 4.350 -0.007 0.000 0.289 1158 T C 1.000 175.718 174.700 0.029 0.000 1.044 1158 T CA -0.363 61.756 62.100 0.032 0.000 1.023 1158 T CB 1.972 70.881 68.868 0.069 0.000 1.123 1158 T HN 0.533 nan 8.240 nan 0.000 0.512 1159 A N 1.026 123.861 122.820 0.026 0.000 2.024 1159 A HA 0.268 4.584 4.320 -0.007 0.000 0.220 1159 A C 2.145 179.743 177.584 0.022 0.000 1.164 1159 A CA 1.553 53.603 52.037 0.021 0.000 0.643 1159 A CB -1.176 17.835 19.000 0.018 0.000 0.806 1159 A HN 1.386 nan 8.150 nan 0.000 0.451 1160 A N -1.145 121.693 122.820 0.031 0.000 2.462 1160 A HA 0.527 4.843 4.320 -0.007 0.000 0.261 1160 A C 0.901 178.504 177.584 0.032 0.000 1.323 1160 A CA 0.723 52.776 52.037 0.028 0.000 0.913 1160 A CB -1.031 17.986 19.000 0.029 0.000 1.028 1160 A HN 1.963 nan 8.150 nan 0.000 0.511 1161 G N -0.613 108.207 108.800 0.033 0.000 2.375 1161 G HA2 0.092 4.048 3.960 -0.007 0.000 0.663 1161 G HA3 0.092 4.048 3.960 -0.007 0.000 0.663 1161 G C -0.833 174.093 174.900 0.044 0.000 1.391 1161 G CA -0.860 44.260 45.100 0.035 0.000 0.949 1161 G HN 0.354 nan 8.290 nan 0.000 0.646 1162 K N 0.164 120.586 120.400 0.037 0.000 2.227 1162 K HA 0.603 4.919 4.320 -0.007 0.000 0.280 1162 K C -0.001 176.631 176.600 0.054 0.000 1.041 1162 K CA -0.589 55.721 56.287 0.038 0.000 0.905 1162 K CB 1.251 33.767 32.500 0.025 0.000 1.068 1162 K HN 0.420 nan 8.250 nan 0.000 0.470 1163 V N 7.356 127.314 119.914 0.074 0.000 2.370 1163 V HA 0.315 4.431 4.120 -0.007 0.000 0.283 1163 V C -1.901 174.245 176.094 0.086 0.000 1.023 1163 V CA -1.861 60.506 62.300 0.112 0.000 0.857 1163 V CB 1.055 33.018 31.823 0.235 0.000 0.985 1163 V HN 0.838 nan 8.190 nan 0.000 0.443 1164 P HA 0.339 nan 4.420 nan 0.000 0.274 1164 P C -2.764 174.581 177.300 0.075 0.000 1.237 1164 P CA -1.589 61.545 63.100 0.057 0.000 0.793 1164 P CB 0.223 31.950 31.700 0.044 0.000 0.977 1165 P HA 0.194 nan 4.420 nan 0.000 0.276 1165 P C -0.427 176.879 177.300 0.009 0.000 1.244 1165 P CA -0.341 62.788 63.100 0.047 0.000 0.801 1165 P CB 0.276 31.993 31.700 0.028 0.000 1.006 1166 A N 2.583 125.371 122.820 -0.053 0.000 2.483 1166 A HA 0.166 4.482 4.320 -0.007 0.000 0.238 1166 A C 0.184 177.630 177.584 -0.230 0.000 1.070 1166 A CA 0.077 51.981 52.037 -0.221 0.000 0.770 1166 A CB -0.357 18.233 19.000 -0.683 0.000 1.008 1166 A HN 0.449 nan 8.150 nan 0.000 0.497 1167 K N 1.152 121.426 120.400 -0.209 0.000 2.213 1167 K HA 0.540 4.856 4.320 -0.007 0.000 0.270 1167 K C -1.319 175.162 176.600 -0.199 0.000 1.002 1167 K CA -0.443 55.755 56.287 -0.150 0.000 0.868 1167 K CB 1.862 34.312 32.500 -0.083 0.000 1.093 1167 K HN 0.399 nan 8.250 nan 0.000 0.454 1168 V N 4.224 124.052 119.914 -0.143 0.000 2.487 1168 V HA 0.382 4.498 4.120 -0.007 0.000 0.298 1168 V C -0.451 175.610 176.094 -0.054 0.000 1.028 1168 V CA -0.847 61.381 62.300 -0.119 0.000 0.860 1168 V CB 1.592 33.373 31.823 -0.070 0.000 0.991 1168 V HN 0.801 nan 8.190 nan 0.000 0.427 1169 M N 5.483 125.049 119.600 -0.056 0.000 2.205 1169 M HA 0.646 5.122 4.480 -0.007 0.000 0.344 1169 M C -1.524 174.756 176.300 -0.034 0.000 1.085 1169 M CA -0.452 54.830 55.300 -0.031 0.000 1.001 1169 M CB 1.540 34.114 32.600 -0.043 0.000 1.626 1169 M HN 0.464 nan 8.290 nan 0.000 0.442 1170 V N 6.928 126.842 119.914 0.000 0.000 2.370 1170 V HA 0.409 4.525 4.120 -0.007 0.000 0.283 1170 V C -0.115 175.986 176.094 0.012 0.000 1.023 1170 V CA -0.540 61.763 62.300 0.006 0.000 0.857 1170 V CB 1.387 33.233 31.823 0.039 0.000 0.985 1170 V HN 0.773 nan 8.190 nan 0.000 0.443 1171 I N 4.807 125.352 120.570 -0.043 0.000 2.297 1171 I HA 0.648 4.814 4.170 -0.007 0.000 0.291 1171 I C 0.796 176.940 176.117 0.045 0.000 1.033 1171 I CA 0.056 61.338 61.300 -0.029 0.000 1.253 1171 I CB 1.005 38.840 38.000 -0.274 0.000 1.396 1171 I HN 0.881 nan 8.210 nan 0.000 0.476 1172 G N 4.676 113.541 108.800 0.109 0.000 3.338 1172 G HA2 0.084 4.040 3.960 -0.007 0.000 0.686 1172 G HA3 0.084 4.040 3.960 -0.007 0.000 0.686 1172 G C -0.322 174.628 174.900 0.083 0.000 1.053 1172 G CA -0.326 44.830 45.100 0.093 0.000 0.852 1172 G HN 0.956 nan 8.290 nan 0.000 0.545 1173 A N 2.120 124.994 122.820 0.089 0.000 2.911 1173 A HA 0.802 5.118 4.320 -0.007 0.000 0.304 1173 A C 1.379 179.009 177.584 0.076 0.000 1.144 1173 A CA 1.058 53.152 52.037 0.094 0.000 0.988 1173 A CB -0.159 18.922 19.000 0.136 0.000 1.141 1173 A HN 2.145 nan 8.150 nan 0.000 0.552 1174 G N -0.789 108.053 108.800 0.069 0.000 2.489 1174 G HA2 0.316 4.272 3.960 -0.007 0.000 0.271 1174 G HA3 0.316 4.272 3.960 -0.007 0.000 0.271 1174 G C 1.159 176.098 174.900 0.064 0.000 1.427 1174 G CA 0.353 45.491 45.100 0.063 0.000 1.057 1174 G HN 0.234 nan 8.290 nan 0.000 0.532 1175 V N 0.807 120.759 119.914 0.065 0.000 2.332 1175 V HA -0.200 3.916 4.120 -0.007 0.000 0.248 1175 V C 3.238 179.376 176.094 0.073 0.000 1.055 1175 V CA 2.627 64.967 62.300 0.067 0.000 1.038 1175 V CB -1.066 30.800 31.823 0.071 0.000 0.651 1175 V HN 0.762 nan 8.190 nan 0.000 0.450 1176 A N 0.323 123.187 122.820 0.074 0.000 1.872 1176 A HA 0.028 4.344 4.320 -0.007 0.000 0.214 1176 A C 2.447 180.074 177.584 0.072 0.000 1.187 1176 A CA 1.613 53.695 52.037 0.075 0.000 0.614 1176 A CB -1.249 17.792 19.000 0.069 0.000 0.826 1176 A HN 0.501 nan 8.150 nan 0.000 0.442 1177 G N 0.108 108.948 108.800 0.066 0.000 2.476 1177 G HA2 -0.229 3.727 3.960 -0.007 0.000 0.218 1177 G HA3 -0.229 3.727 3.960 -0.007 0.000 0.218 1177 G C 1.556 176.499 174.900 0.072 0.000 1.164 1177 G CA 1.180 46.319 45.100 0.066 0.000 0.768 1177 G HN 0.422 nan 8.290 nan 0.000 0.560 1178 L N 0.532 121.799 121.223 0.073 0.000 2.093 1178 L HA -0.029 4.307 4.340 -0.007 0.000 0.208 1178 L C 3.412 180.329 176.870 0.078 0.000 1.085 1178 L CA 0.916 55.800 54.840 0.073 0.000 0.755 1178 L CB -0.404 41.694 42.059 0.064 0.000 0.904 1178 L HN 0.322 nan 8.230 nan 0.000 0.435 1179 A N 0.095 122.966 122.820 0.086 0.000 1.933 1179 A HA -0.151 4.165 4.320 -0.007 0.000 0.218 1179 A C 2.548 180.196 177.584 0.107 0.000 1.175 1179 A CA 1.639 53.741 52.037 0.108 0.000 0.628 1179 A CB -0.618 18.457 19.000 0.125 0.000 0.814 1179 A HN 0.394 nan 8.150 nan 0.000 0.444 1180 A N 0.130 123.000 122.820 0.084 0.000 1.877 1180 A HA -0.116 4.200 4.320 -0.007 0.000 0.216 1180 A C 2.106 179.729 177.584 0.066 0.000 1.186 1180 A CA 1.566 53.640 52.037 0.062 0.000 0.620 1180 A CB -0.672 18.359 19.000 0.052 0.000 0.822 1180 A HN 0.494 nan 8.150 nan 0.000 0.443 1181 I N -0.192 120.421 120.570 0.072 0.000 2.118 1181 I HA -0.280 3.886 4.170 -0.007 0.000 0.241 1181 I C 2.726 178.889 176.117 0.077 0.000 1.070 1181 I CA 1.385 62.729 61.300 0.074 0.000 1.327 1181 I CB -0.691 37.355 38.000 0.077 0.000 1.034 1181 I HN 0.406 nan 8.210 nan 0.000 0.405 1182 G N 0.187 109.035 108.800 0.080 0.000 2.446 1182 G HA2 -0.251 3.705 3.960 -0.007 0.000 0.217 1182 G HA3 -0.251 3.705 3.960 -0.007 0.000 0.217 1182 G C 1.836 176.788 174.900 0.087 0.000 1.168 1182 G CA 0.897 46.048 45.100 0.085 0.000 0.771 1182 G HN 0.517 nan 8.290 nan 0.000 0.551 1183 A N 1.190 124.059 122.820 0.081 0.000 1.873 1183 A HA 0.292 4.608 4.320 -0.007 0.000 0.215 1183 A C 2.846 180.439 177.584 0.014 0.000 1.186 1183 A CA 2.281 54.331 52.037 0.022 0.000 0.616 1183 A CB -0.892 18.038 19.000 -0.116 0.000 0.823 1183 A HN 0.836 nan 8.150 nan 0.000 0.442 1184 A N 0.236 123.094 122.820 0.063 0.000 1.908 1184 A HA -0.253 4.063 4.320 -0.007 0.000 0.218 1184 A C 1.905 179.579 177.584 0.151 0.000 1.181 1184 A CA 1.868 54.003 52.037 0.163 0.000 0.627 1184 A CB -0.950 18.156 19.000 0.178 0.000 0.818 1184 A HN 0.733 nan 8.150 nan 0.000 0.445 1185 N N -0.215 118.545 118.700 0.100 0.000 2.120 1185 N HA -0.122 4.614 4.740 -0.007 0.000 0.188 1185 N C 1.922 177.480 175.510 0.079 0.000 1.024 1185 N CA 1.348 54.449 53.050 0.085 0.000 0.852 1185 N CB -0.133 38.396 38.487 0.069 0.000 1.003 1185 N HN 0.433 nan 8.380 nan 0.000 0.424 1186 S N 0.970 116.712 115.700 0.070 0.000 2.383 1186 S HA -0.050 4.416 4.470 -0.007 0.000 0.229 1186 S C 1.676 176.309 174.600 0.056 0.000 1.030 1186 S CA 0.819 59.054 58.200 0.058 0.000 1.002 1186 S CB -0.200 63.035 63.200 0.058 0.000 0.829 1186 S HN 0.278 nan 8.310 nan 0.000 0.467 1187 L N 0.975 122.239 121.223 0.069 0.000 2.650 1187 L HA 0.134 4.470 4.340 -0.007 0.000 0.235 1187 L C 1.621 178.598 176.870 0.177 0.000 1.149 1187 L CA 0.333 55.239 54.840 0.109 0.000 0.887 1187 L CB -0.780 41.314 42.059 0.059 0.000 1.021 1187 L HN 0.513 nan 8.230 nan 0.000 0.441 1188 G N 0.014 108.891 108.800 0.128 0.000 2.143 1188 G HA2 -0.283 3.673 3.960 -0.007 0.000 0.248 1188 G HA3 -0.283 3.673 3.960 -0.007 0.000 0.248 1188 G C 0.390 175.351 174.900 0.102 0.000 0.991 1188 G CA 0.126 45.285 45.100 0.099 0.000 0.689 1188 G HN 0.530 nan 8.290 nan 0.000 0.522 1189 A N -0.596 122.305 122.820 0.134 0.000 2.332 1189 A HA 0.734 5.050 4.320 -0.007 0.000 0.258 1189 A C 0.540 178.141 177.584 0.029 0.000 1.087 1189 A CA -0.217 51.853 52.037 0.055 0.000 0.802 1189 A CB 0.467 19.488 19.000 0.035 0.000 1.042 1189 A HN 0.771 nan 8.150 nan 0.000 0.489 1190 I N 1.697 122.262 120.570 -0.008 0.000 2.337 1190 I HA 0.248 4.414 4.170 -0.007 0.000 0.291 1190 I C -0.546 175.569 176.117 -0.003 0.000 1.046 1190 I CA -0.001 61.300 61.300 0.002 0.000 1.324 1190 I CB 1.102 39.099 38.000 -0.004 0.000 1.409 1190 I HN 0.264 nan 8.210 nan 0.000 0.494 1191 V N 7.244 127.171 119.914 0.022 0.000 2.513 1191 V HA 0.538 4.654 4.120 -0.007 0.000 0.299 1191 V C -0.032 176.087 176.094 0.042 0.000 1.035 1191 V CA -0.768 61.550 62.300 0.029 0.000 0.889 1191 V CB 1.783 33.636 31.823 0.050 0.000 0.988 1191 V HN 0.660 nan 8.190 nan 0.000 0.440 1192 R N 2.328 122.851 120.500 0.039 0.000 2.686 1192 R HA 0.888 5.224 4.340 -0.007 0.000 0.286 1192 R C -0.820 175.522 176.300 0.069 0.000 0.969 1192 R CA -0.460 55.675 56.100 0.057 0.000 0.898 1192 R CB 2.313 32.638 30.300 0.042 0.000 1.183 1192 R HN 0.870 nan 8.270 nan 0.000 0.456 1193 A N 2.248 125.126 122.820 0.097 0.000 2.475 1193 A HA 0.702 5.018 4.320 -0.007 0.000 0.301 1193 A C -1.791 175.839 177.584 0.077 0.000 1.059 1193 A CA -0.570 51.533 52.037 0.110 0.000 0.710 1193 A CB 1.252 20.337 19.000 0.143 0.000 1.288 1193 A HN 0.620 nan 8.150 nan 0.000 0.408 1194 F N 1.710 121.628 119.950 -0.053 0.000 2.520 1194 F HA 0.664 5.186 4.527 -0.007 0.000 0.322 1194 F C -0.767 175.036 175.800 0.005 0.000 1.103 1194 F CA -0.427 57.499 58.000 -0.123 0.000 0.926 1194 F CB 1.616 40.663 39.000 0.079 0.000 1.154 1194 F HN 0.599 nan 8.300 nan 0.000 0.453 1195 D N 2.747 122.601 120.400 -0.911 0.000 2.857 1195 D HA 0.128 4.764 4.640 -0.007 0.000 0.227 1195 D C 0.473 176.328 176.300 -0.741 0.000 1.192 1195 D CA -0.092 53.615 54.000 -0.488 0.000 0.857 1195 D CB 2.586 43.393 40.800 0.012 0.000 1.645 1195 D HN 0.691 nan 8.370 nan 0.000 0.482 1196 T N 0.376 114.752 114.554 -0.296 0.000 3.035 1196 T HA 0.035 4.381 4.350 -0.007 0.000 0.268 1196 T C 0.848 175.560 174.700 0.020 0.000 1.109 1196 T CA 0.477 62.568 62.100 -0.015 0.000 1.119 1196 T CB 0.066 69.030 68.868 0.160 0.000 0.900 1196 T HN 0.206 nan 8.240 nan 0.000 0.503 1197 R N 2.357 122.872 120.500 0.026 0.000 2.198 1197 R HA 0.294 4.630 4.340 -0.007 0.000 0.339 1197 R C -1.788 174.562 176.300 0.084 0.000 1.020 1197 R CA -2.087 54.039 56.100 0.042 0.000 0.864 1197 R CB 1.020 31.335 30.300 0.025 0.000 1.105 1197 R HN 0.189 nan 8.270 nan 0.000 0.463 1198 P HA -0.191 nan 4.420 nan 0.000 0.223 1198 P C 0.513 177.748 177.300 -0.107 0.000 1.151 1198 P CA 1.057 64.184 63.100 0.045 0.000 0.787 1198 P CB 0.312 32.049 31.700 0.062 0.000 0.788 1199 E N 0.858 121.017 120.200 -0.069 0.000 2.333 1199 E HA -0.094 4.252 4.350 -0.007 0.000 0.198 1199 E C 1.736 178.257 176.600 -0.131 0.000 1.007 1199 E CA 1.360 57.706 56.400 -0.089 0.000 0.845 1199 E CB -1.224 28.449 29.700 -0.046 0.000 0.766 1199 E HN 0.288 nan 8.360 nan 0.000 0.507 1200 V N -1.041 118.784 119.914 -0.148 0.000 3.461 1200 V HA 0.030 4.145 4.120 -0.007 0.000 0.267 1200 V C 2.318 178.180 176.094 -0.385 0.000 1.186 1200 V CA 1.064 63.267 62.300 -0.162 0.000 1.154 1200 V CB -0.567 31.238 31.823 -0.031 0.000 0.802 1200 V HN 0.026 nan 8.190 nan 0.000 0.474 1201 K N 0.929 120.874 120.400 -0.758 0.000 2.059 1201 K HA -0.278 4.038 4.320 -0.007 0.000 0.212 1201 K C 2.058 178.356 176.600 -0.504 0.000 1.050 1201 K CA 2.571 58.140 56.287 -1.197 0.000 0.927 1201 K CB -0.130 31.742 32.500 -1.047 0.000 0.714 1201 K HN 0.558 nan 8.250 nan 0.000 0.447 1202 E N 0.346 120.371 120.200 -0.292 0.000 2.150 1202 E HA -0.166 4.180 4.350 -0.007 0.000 0.193 1202 E C 2.029 178.568 176.600 -0.102 0.000 0.985 1202 E CA 1.072 57.381 56.400 -0.152 0.000 0.814 1202 E CB 0.004 29.642 29.700 -0.104 0.000 0.752 1202 E HN 0.353 nan 8.360 nan 0.000 0.466 1203 Q N -0.023 119.715 119.800 -0.103 0.000 2.020 1203 Q HA -0.150 4.186 4.340 -0.007 0.000 0.202 1203 Q C 2.124 178.111 176.000 -0.021 0.000 0.982 1203 Q CA 1.612 57.387 55.803 -0.047 0.000 0.838 1203 Q CB 0.019 28.737 28.738 -0.033 0.000 0.899 1203 Q HN 0.168 nan 8.270 nan 0.000 0.423 1204 V N 0.836 120.734 119.914 -0.026 0.000 2.332 1204 V HA -0.308 3.808 4.120 -0.007 0.000 0.248 1204 V C 2.146 178.273 176.094 0.055 0.000 1.055 1204 V CA 2.051 64.384 62.300 0.055 0.000 1.038 1204 V CB -0.559 31.367 31.823 0.173 0.000 0.651 1204 V HN 0.433 nan 8.190 nan 0.000 0.450 1205 Q N 0.239 120.047 119.800 0.014 0.000 2.167 1205 Q HA -0.146 4.190 4.340 -0.007 0.000 0.202 1205 Q C 2.440 178.452 176.000 0.021 0.000 0.970 1205 Q CA 1.718 57.538 55.803 0.029 0.000 0.855 1205 Q CB -0.281 28.461 28.738 0.006 0.000 0.911 1205 Q HN 0.810 nan 8.270 nan 0.000 0.438 1206 S N 0.126 115.829 115.700 0.005 0.000 2.442 1206 S HA -0.084 4.382 4.470 -0.007 0.000 0.236 1206 S C 1.697 176.310 174.600 0.022 0.000 1.007 1206 S CA 0.819 59.024 58.200 0.009 0.000 0.965 1206 S CB -0.143 63.057 63.200 -0.000 0.000 0.773 1206 S HN 0.290 nan 8.310 nan 0.000 0.504 1207 M N 1.017 120.636 119.600 0.032 0.000 2.494 1207 M HA 0.282 4.758 4.480 -0.007 0.000 0.232 1207 M C 1.400 177.728 176.300 0.046 0.000 1.137 1207 M CA 0.417 55.742 55.300 0.041 0.000 1.012 1207 M CB -0.043 32.587 32.600 0.050 0.000 1.567 1207 M HN 0.538 nan 8.290 nan 0.000 0.486 1208 G N 1.255 110.081 108.800 0.043 0.000 2.179 1208 G HA2 -0.223 3.733 3.960 -0.007 0.000 0.257 1208 G HA3 -0.223 3.733 3.960 -0.007 0.000 0.257 1208 G C 0.052 174.986 174.900 0.055 0.000 1.010 1208 G CA 0.253 45.380 45.100 0.045 0.000 0.736 1208 G HN 0.677 nan 8.290 nan 0.000 0.513 1209 A N -0.578 122.283 122.820 0.069 0.000 2.306 1209 A HA 0.771 5.087 4.320 -0.007 0.000 0.330 1209 A C 0.298 177.946 177.584 0.107 0.000 1.146 1209 A CA 0.091 52.178 52.037 0.084 0.000 0.827 1209 A CB 0.867 19.924 19.000 0.095 0.000 1.178 1209 A HN 0.642 nan 8.150 nan 0.000 0.490 1210 E N 1.153 121.417 120.200 0.107 0.000 2.194 1210 E HA 0.288 4.634 4.350 -0.007 0.000 0.284 1210 E C -1.490 175.222 176.600 0.187 0.000 1.035 1210 E CA -0.336 56.141 56.400 0.128 0.000 0.836 1210 E CB 0.418 30.169 29.700 0.086 0.000 1.070 1210 E HN 0.435 nan 8.360 nan 0.000 0.401 1211 F N 6.436 126.420 119.950 0.057 0.000 2.434 1211 F HA 0.232 4.754 4.527 -0.007 0.000 0.358 1211 F C -0.476 175.385 175.800 0.102 0.000 1.136 1211 F CA -0.519 57.522 58.000 0.067 0.000 1.157 1211 F CB 0.202 39.225 39.000 0.038 0.000 1.167 1211 F HN 0.427 nan 8.300 nan 0.000 0.539 1212 L N 5.892 127.009 121.223 -0.176 0.000 2.426 1212 L HA 0.198 4.534 4.340 -0.007 0.000 0.271 1212 L C 0.118 176.948 176.870 -0.066 0.000 1.169 1212 L CA 0.070 54.882 54.840 -0.046 0.000 0.836 1212 L CB 0.533 42.630 42.059 0.063 0.000 1.112 1212 L HN 0.565 nan 8.230 nan 0.000 0.465 1213 E N 2.637 122.847 120.200 0.017 0.000 2.281 1213 E HA 0.623 4.969 4.350 -0.007 0.000 0.262 1213 E C -1.067 175.534 176.600 0.001 0.000 0.933 1213 E CA -0.920 55.511 56.400 0.051 0.000 0.809 1213 E CB 2.187 31.929 29.700 0.069 0.000 1.242 1213 E HN 0.349 nan 8.360 nan 0.000 0.418 1214 L N 0.912 122.132 121.223 -0.004 0.000 2.365 1214 L HA 0.421 4.757 4.340 -0.007 0.000 0.267 1214 L C 0.190 177.007 176.870 -0.088 0.000 1.033 1214 L CA -0.634 54.132 54.840 -0.123 0.000 0.802 1214 L CB 0.617 42.555 42.059 -0.202 0.000 1.267 1214 L HN 0.587 nan 8.230 nan 0.000 0.457 1232 D N 1.576 122.016 120.400 0.067 0.000 2.194 1232 D HA 0.079 4.715 4.640 -0.007 0.000 0.204 1232 D C 2.031 178.358 176.300 0.045 0.000 0.964 1232 D CA 1.414 55.443 54.000 0.048 0.000 0.846 1232 D CB -0.285 40.530 40.800 0.025 0.000 0.962 1232 D HN 0.671 nan 8.370 nan 0.000 0.490 1233 A N 0.366 123.223 122.820 0.061 0.000 1.929 1233 A HA -0.117 4.199 4.320 -0.007 0.000 0.216 1233 A C 2.007 179.621 177.584 0.050 0.000 1.176 1233 A CA 0.671 52.734 52.037 0.043 0.000 0.628 1233 A CB -0.790 18.242 19.000 0.054 0.000 0.816 1233 A HN 0.194 nan 8.150 nan 0.000 0.444 1234 F N 0.412 120.350 119.950 -0.020 0.000 2.128 1234 F HA -0.055 4.468 4.527 -0.007 0.000 0.295 1234 F C 1.994 177.763 175.800 -0.051 0.000 1.100 1234 F CA 1.464 59.454 58.000 -0.018 0.000 1.260 1234 F CB -0.128 38.882 39.000 0.016 0.000 1.009 1234 F HN 0.150 nan 8.300 nan 0.000 0.476 1235 I N 0.419 121.060 120.570 0.118 0.000 2.179 1235 I HA -0.342 3.824 4.170 -0.007 0.000 0.242 1235 I C 2.539 178.571 176.117 -0.142 0.000 1.088 1235 I CA 1.754 63.058 61.300 0.007 0.000 1.357 1235 I CB -0.554 37.484 38.000 0.063 0.000 1.051 1235 I HN 0.122 nan 8.210 nan 0.000 0.409 1236 K N 1.455 121.789 120.400 -0.111 0.000 2.063 1236 K HA -0.209 4.107 4.320 -0.007 0.000 0.208 1236 K C 2.127 178.591 176.600 -0.225 0.000 1.048 1236 K CA 1.693 57.897 56.287 -0.138 0.000 0.928 1236 K CB -0.140 32.309 32.500 -0.086 0.000 0.713 1236 K HN 0.292 nan 8.250 nan 0.000 0.442 1237 A N 0.989 123.645 122.820 -0.273 0.000 2.015 1237 A HA -0.165 4.151 4.320 -0.007 0.000 0.219 1237 A C 1.967 179.225 177.584 -0.543 0.000 1.163 1237 A CA 1.550 53.378 52.037 -0.348 0.000 0.646 1237 A CB -0.428 18.376 19.000 -0.326 0.000 0.806 1237 A HN 0.600 nan 8.150 nan 0.000 0.448 1238 E N -0.794 118.997 120.200 -0.682 0.000 2.072 1238 E HA -0.153 4.193 4.350 -0.007 0.000 0.190 1238 E C 1.884 177.780 176.600 -1.173 0.000 0.982 1238 E CA 1.186 56.958 56.400 -1.046 0.000 0.803 1238 E CB -0.120 29.099 29.700 -0.803 0.000 0.755 1238 E HN 0.459 nan 8.360 nan 0.000 0.453 1239 M N 0.464 119.686 119.600 -0.631 0.000 2.229 1239 M HA -0.095 4.381 4.480 -0.007 0.000 0.264 1239 M C 1.836 177.949 176.300 -0.312 0.000 1.063 1239 M CA 1.338 56.408 55.300 -0.384 0.000 1.114 1239 M CB -0.709 31.786 32.600 -0.174 0.000 1.387 1239 M HN 0.135 nan 8.290 nan 0.000 0.420 1240 E N 0.256 120.263 120.200 -0.322 0.000 2.150 1240 E HA -0.181 4.165 4.350 -0.007 0.000 0.193 1240 E C 1.986 178.437 176.600 -0.247 0.000 0.985 1240 E CA 0.758 57.020 56.400 -0.230 0.000 0.814 1240 E CB -0.136 29.445 29.700 -0.198 0.000 0.752 1240 E HN 0.250 nan 8.360 nan 0.000 0.466 1241 L N 0.301 121.279 121.223 -0.408 0.000 2.027 1241 L HA -0.129 4.207 4.340 -0.007 0.000 0.206 1241 L C 1.905 178.682 176.870 -0.155 0.000 1.074 1241 L CA 1.679 56.304 54.840 -0.357 0.000 0.745 1241 L CB -0.527 41.172 42.059 -0.601 0.000 0.898 1241 L HN 0.099 nan 8.230 nan 0.000 0.433 1242 F N -0.323 119.487 119.950 -0.233 0.000 2.134 1242 F HA -0.206 4.317 4.527 -0.006 0.000 0.299 1242 F C 2.525 178.258 175.800 -0.111 0.000 1.097 1242 F CA 0.465 58.365 58.000 -0.167 0.000 1.264 1242 F CB -0.712 38.193 39.000 -0.159 0.000 1.001 1242 F HN 0.261 nan 8.300 nan 0.000 0.479 1243 A N 0.434 123.288 122.820 0.056 0.000 1.933 1243 A HA -0.127 4.189 4.320 -0.007 0.000 0.218 1243 A C 2.344 179.928 177.584 0.001 0.000 1.175 1243 A CA 1.710 53.757 52.037 0.016 0.000 0.628 1243 A CB -1.067 17.921 19.000 -0.020 0.000 0.814 1243 A HN 0.340 nan 8.150 nan 0.000 0.444 1244 A N -1.451 121.356 122.820 -0.021 0.000 1.930 1244 A HA -0.119 4.197 4.320 -0.007 0.000 0.217 1244 A C 2.120 179.700 177.584 -0.007 0.000 1.175 1244 A CA 1.468 53.491 52.037 -0.024 0.000 0.627 1244 A CB -0.349 18.623 19.000 -0.046 0.000 0.815 1244 A HN 0.480 nan 8.150 nan 0.000 0.443 1245 Q N -0.631 119.174 119.800 0.008 0.000 2.187 1245 Q HA 0.014 4.350 4.340 -0.007 0.000 0.199 1245 Q C 2.383 178.386 176.000 0.005 0.000 0.957 1245 Q CA 1.263 57.074 55.803 0.013 0.000 0.857 1245 Q CB -0.556 28.204 28.738 0.037 0.000 0.929 1245 Q HN 0.643 nan 8.270 nan 0.000 0.453 1246 A N 1.543 124.371 122.820 0.014 0.000 1.933 1246 A HA -0.191 4.125 4.320 -0.007 0.000 0.218 1246 A C 1.991 179.577 177.584 0.003 0.000 1.175 1246 A CA 1.432 53.473 52.037 0.006 0.000 0.628 1246 A CB -0.305 18.706 19.000 0.019 0.000 0.814 1246 A HN 0.247 nan 8.150 nan 0.000 0.444 1247 K N -0.521 119.882 120.400 0.004 0.000 2.362 1247 K HA -0.104 4.212 4.320 -0.007 0.000 0.200 1247 K C 1.484 178.083 176.600 -0.001 0.000 1.046 1247 K CA 1.415 57.704 56.287 0.002 0.000 0.952 1247 K CB -0.032 32.468 32.500 0.000 0.000 0.753 1247 K HN 0.664 nan 8.250 nan 0.000 0.466 1248 E N 0.223 120.420 120.200 -0.006 0.000 2.330 1248 E HA -0.006 4.340 4.350 -0.007 0.000 0.200 1248 E C 0.531 177.120 176.600 -0.018 0.000 0.922 1248 E CA 0.073 56.467 56.400 -0.009 0.000 0.935 1248 E CB 0.698 30.393 29.700 -0.008 0.000 0.917 1248 E HN 0.065 nan 8.360 nan 0.000 0.491 1249 V N -0.376 119.520 119.914 -0.029 0.000 2.863 1249 V HA 0.228 4.344 4.120 -0.007 0.000 0.307 1249 V C 0.366 176.415 176.094 -0.075 0.000 1.061 1249 V CA -0.539 61.726 62.300 -0.059 0.000 1.024 1249 V CB 1.675 33.457 31.823 -0.069 0.000 1.049 1249 V HN -0.084 nan 8.190 nan 0.000 0.471 1250 D N 0.936 121.251 120.400 -0.141 0.000 2.324 1250 D HA 0.222 4.858 4.640 -0.007 0.000 0.212 1250 D C 0.241 176.363 176.300 -0.297 0.000 0.984 1250 D CA 1.064 54.947 54.000 -0.195 0.000 0.885 1250 D CB 0.690 41.306 40.800 -0.306 0.000 0.996 1250 D HN 0.398 nan 8.370 nan 0.000 0.505 1251 I N 1.719 122.104 120.570 -0.307 0.000 2.499 1251 I HA 0.364 4.530 4.170 -0.007 0.000 0.288 1251 I C -0.259 175.773 176.117 -0.140 0.000 1.048 1251 I CA -0.674 60.476 61.300 -0.251 0.000 1.062 1251 I CB 2.113 39.932 38.000 -0.300 0.000 1.238 1251 I HN -0.227 nan 8.210 nan 0.000 0.426 1252 I N 5.828 126.340 120.570 -0.097 0.000 2.406 1252 I HA 0.443 4.609 4.170 -0.007 0.000 0.290 1252 I C -0.406 175.672 176.117 -0.065 0.000 0.999 1252 I CA -0.929 60.320 61.300 -0.084 0.000 1.124 1252 I CB 2.294 40.239 38.000 -0.092 0.000 1.289 1252 I HN 0.132 nan 8.210 nan 0.000 0.441 1253 V N 4.768 124.650 119.914 -0.053 0.000 2.370 1253 V HA 0.388 4.504 4.120 -0.007 0.000 0.283 1253 V C 0.071 176.135 176.094 -0.050 0.000 1.023 1253 V CA -0.369 61.911 62.300 -0.033 0.000 0.857 1253 V CB 1.618 33.439 31.823 -0.003 0.000 0.985 1253 V HN 0.758 nan 8.190 nan 0.000 0.443 1254 T N 2.556 117.079 114.554 -0.051 0.000 2.824 1254 T HA 0.518 4.864 4.350 -0.007 0.000 0.282 1254 T C 0.474 175.160 174.700 -0.023 0.000 0.993 1254 T CA 0.237 62.299 62.100 -0.063 0.000 0.967 1254 T CB 1.295 70.099 68.868 -0.106 0.000 0.960 1254 T HN 0.925 nan 8.240 nan 0.000 0.441 1255 T N 1.173 115.724 114.554 -0.004 0.000 3.275 1255 T HA 0.471 4.817 4.350 -0.007 0.000 0.298 1255 T C 0.551 175.271 174.700 0.033 0.000 0.988 1255 T CA -0.117 61.995 62.100 0.021 0.000 0.936 1255 T CB 0.090 68.979 68.868 0.036 0.000 1.159 1255 T HN 0.659 nan 8.240 nan 0.000 0.519 1256 A N 1.937 124.776 122.820 0.032 0.000 2.671 1256 A HA 0.689 5.005 4.320 -0.007 0.000 0.306 1256 A C -0.446 177.163 177.584 0.042 0.000 1.473 1256 A CA -0.409 51.660 52.037 0.054 0.000 1.155 1256 A CB -0.469 18.577 19.000 0.076 0.000 1.123 1256 A HN 0.575 nan 8.150 nan 0.000 0.545 1257 L N 3.178 124.426 121.223 0.041 0.000 2.436 1257 L HA 0.676 5.012 4.340 -0.007 0.000 0.268 1257 L C -1.038 175.857 176.870 0.041 0.000 0.974 1257 L CA -0.252 54.605 54.840 0.029 0.000 0.826 1257 L CB 1.743 43.812 42.059 0.017 0.000 1.291 1257 L HN 0.538 nan 8.230 nan 0.000 0.406 1258 I N 6.342 126.934 120.570 0.036 0.000 2.389 1258 I HA 0.421 4.587 4.170 -0.007 0.000 0.288 1258 I C -2.045 174.094 176.117 0.037 0.000 0.999 1258 I CA -1.905 59.425 61.300 0.051 0.000 1.129 1258 I CB 1.846 39.878 38.000 0.053 0.000 1.288 1258 I HN 0.491 nan 8.210 nan 0.000 0.444 1259 P HA 0.011 nan 4.420 nan 0.000 0.263 1259 P C 0.835 178.144 177.300 0.016 0.000 1.175 1259 P CA 0.739 63.850 63.100 0.018 0.000 0.761 1259 P CB 0.468 32.292 31.700 0.207 0.000 0.794 1260 G N 1.051 109.807 108.800 -0.073 0.000 2.168 1260 G HA2 -0.282 3.674 3.960 -0.007 0.000 0.263 1260 G HA3 -0.282 3.674 3.960 -0.007 0.000 0.263 1260 G C 0.102 174.997 174.900 -0.009 0.000 0.977 1260 G CA 0.386 45.466 45.100 -0.033 0.000 0.659 1260 G HN 0.726 nan 8.290 nan 0.000 0.533 1261 K N 0.394 120.786 120.400 -0.013 0.000 2.422 1261 K HA 0.574 4.890 4.320 -0.007 0.000 0.251 1261 K C -2.797 173.796 176.600 -0.011 0.000 0.933 1261 K CA -2.338 53.949 56.287 0.000 0.000 0.798 1261 K CB 2.232 34.744 32.500 0.020 0.000 1.238 1261 K HN -0.084 nan 8.250 nan 0.000 0.428 1262 P HA 0.002 nan 4.420 nan 0.000 0.264 1262 P C -1.188 176.111 177.300 -0.002 0.000 1.193 1262 P CA -0.072 63.021 63.100 -0.011 0.000 0.763 1262 P CB 0.798 32.493 31.700 -0.008 0.000 0.810 1263 A N 6.345 129.161 122.820 -0.007 0.000 2.488 1263 A HA 0.363 4.679 4.320 -0.007 0.000 0.249 1263 A C -1.908 175.683 177.584 0.010 0.000 1.083 1263 A CA -1.138 50.901 52.037 0.003 0.000 0.768 1263 A CB -0.874 18.122 19.000 -0.006 0.000 1.017 1263 A HN 0.411 nan 8.150 nan 0.000 0.496 1264 P HA 0.110 nan 4.420 nan 0.000 0.271 1264 P C -0.869 176.449 177.300 0.030 0.000 1.220 1264 P CA -0.191 62.931 63.100 0.038 0.000 0.768 1264 P CB 0.560 32.301 31.700 0.069 0.000 0.848 1265 K N 4.020 124.430 120.400 0.018 0.000 2.294 1265 K HA 0.150 4.466 4.320 -0.007 0.000 0.288 1265 K C 1.018 177.640 176.600 0.037 0.000 1.072 1265 K CA -0.015 56.276 56.287 0.006 0.000 0.960 1265 K CB 0.006 32.495 32.500 -0.017 0.000 1.043 1265 K HN 0.527 nan 8.250 nan 0.000 0.455 1266 L N 2.009 123.260 121.223 0.047 0.000 2.408 1266 L HA 0.250 4.586 4.340 -0.007 0.000 0.215 1266 L C 0.617 177.549 176.870 0.103 0.000 1.081 1266 L CA 0.361 55.273 54.840 0.120 0.000 0.840 1266 L CB 0.234 42.353 42.059 0.101 0.000 1.002 1266 L HN 0.406 nan 8.230 nan 0.000 0.468 1267 I N 0.562 121.136 120.570 0.008 0.000 2.382 1267 I HA 0.156 4.322 4.170 -0.007 0.000 0.285 1267 I C 0.455 176.562 176.117 -0.016 0.000 1.007 1267 I CA -0.325 60.974 61.300 -0.002 0.000 1.142 1267 I CB 1.751 39.724 38.000 -0.045 0.000 1.289 1267 I HN 0.034 nan 8.210 nan 0.000 0.453 1268 T N 1.792 116.336 114.554 -0.017 0.000 2.824 1268 T HA 0.370 4.716 4.350 -0.007 0.000 0.277 1268 T C 1.231 175.862 174.700 -0.115 0.000 0.975 1268 T CA -0.578 61.478 62.100 -0.073 0.000 0.966 1268 T CB 1.290 70.124 68.868 -0.058 0.000 1.054 1268 T HN 0.496 nan 8.240 nan 0.000 0.533 1269 R N 0.191 120.537 120.500 -0.257 0.000 2.105 1269 R HA -0.093 4.243 4.340 -0.007 0.000 0.239 1269 R C 2.499 178.753 176.300 -0.076 0.000 1.135 1269 R CA 1.760 57.607 56.100 -0.423 0.000 0.967 1269 R CB -0.242 29.678 30.300 -0.633 0.000 0.861 1269 R HN 0.767 nan 8.270 nan 0.000 0.442 1270 E N 0.204 120.373 120.200 -0.051 0.000 2.106 1270 E HA -0.156 4.190 4.350 -0.007 0.000 0.192 1270 E C 2.055 178.675 176.600 0.033 0.000 0.984 1270 E CA 1.060 57.464 56.400 0.006 0.000 0.806 1270 E CB 0.022 29.715 29.700 -0.012 0.000 0.750 1270 E HN 0.312 nan 8.360 nan 0.000 0.458 1271 M N 0.222 119.837 119.600 0.024 0.000 2.065 1271 M HA -0.189 4.287 4.480 -0.007 0.000 0.259 1271 M C 2.439 178.778 176.300 0.066 0.000 1.069 1271 M CA 1.317 56.640 55.300 0.038 0.000 1.110 1271 M CB -0.280 32.340 32.600 0.034 0.000 1.328 1271 M HN 0.027 nan 8.290 nan 0.000 0.405 1272 V N 0.439 120.420 119.914 0.112 0.000 2.332 1272 V HA -0.285 3.831 4.120 -0.007 0.000 0.248 1272 V C 1.652 177.836 176.094 0.150 0.000 1.055 1272 V CA 1.880 64.278 62.300 0.164 0.000 1.038 1272 V CB -0.923 31.098 31.823 0.331 0.000 0.651 1272 V HN 0.420 nan 8.190 nan 0.000 0.450 1273 D N 0.548 121.058 120.400 0.183 0.000 2.265 1273 D HA -0.116 4.520 4.640 -0.007 0.000 0.208 1273 D C 2.314 178.657 176.300 0.071 0.000 0.977 1273 D CA 1.690 55.770 54.000 0.132 0.000 0.871 1273 D CB -0.155 40.725 40.800 0.134 0.000 0.925 1273 D HN 0.651 nan 8.370 nan 0.000 0.485 1274 S N -0.921 114.813 115.700 0.058 0.000 2.528 1274 S HA 0.058 4.524 4.470 -0.007 0.000 0.219 1274 S C 1.015 175.631 174.600 0.028 0.000 0.985 1274 S CA -0.222 57.998 58.200 0.035 0.000 0.914 1274 S CB -0.034 63.181 63.200 0.025 0.000 0.776 1274 S HN 0.055 nan 8.310 nan 0.000 0.526 1275 M N 1.978 121.598 119.600 0.033 0.000 2.241 1275 M HA 0.269 4.745 4.480 -0.007 0.000 0.335 1275 M C 0.341 176.654 176.300 0.021 0.000 1.122 1275 M CA -0.317 54.997 55.300 0.024 0.000 1.164 1275 M CB 0.529 33.144 32.600 0.024 0.000 1.459 1275 M HN 0.074 nan 8.290 nan 0.000 0.461 1276 K N 1.690 122.102 120.400 0.020 0.000 2.511 1276 K HA 0.163 4.479 4.320 -0.007 0.000 0.280 1276 K C -0.367 176.249 176.600 0.027 0.000 1.008 1276 K CA -0.270 56.031 56.287 0.023 0.000 1.050 1276 K CB 0.477 32.997 32.500 0.032 0.000 0.889 1276 K HN 0.771 nan 8.250 nan 0.000 0.484 1277 A N 3.028 125.855 122.820 0.013 0.000 2.520 1277 A HA 0.337 4.653 4.320 -0.007 0.000 0.235 1277 A C 1.208 178.803 177.584 0.020 0.000 1.065 1277 A CA 0.690 52.730 52.037 0.004 0.000 0.764 1277 A CB -0.287 18.704 19.000 -0.016 0.000 1.002 1277 A HN 1.132 nan 8.150 nan 0.000 0.502 1278 G N 1.205 110.017 108.800 0.021 0.000 2.176 1278 G HA2 -0.211 3.745 3.960 -0.007 0.000 0.253 1278 G HA3 -0.211 3.745 3.960 -0.007 0.000 0.253 1278 G C 0.546 175.559 174.900 0.188 0.000 0.979 1278 G CA 0.443 45.577 45.100 0.055 0.000 0.641 1278 G HN 1.182 nan 8.290 nan 0.000 0.530 1279 S N -0.923 114.860 115.700 0.139 0.000 2.600 1279 S HA 0.587 5.053 4.470 -0.007 0.000 0.265 1279 S C 0.355 175.000 174.600 0.075 0.000 1.325 1279 S CA 0.111 58.383 58.200 0.120 0.000 1.002 1279 S CB 2.105 65.329 63.200 0.040 0.000 0.921 1279 S HN 0.855 nan 8.310 nan 0.000 0.554 1280 V N 2.269 122.182 119.914 -0.001 0.000 2.588 1280 V HA 0.490 4.606 4.120 -0.007 0.000 0.304 1280 V C -0.571 175.501 176.094 -0.037 0.000 1.042 1280 V CA -0.556 61.741 62.300 -0.005 0.000 0.877 1280 V CB 1.550 33.385 31.823 0.020 0.000 0.996 1280 V HN 0.714 nan 8.190 nan 0.000 0.425 1281 I N 4.223 124.780 120.570 -0.021 0.000 2.406 1281 I HA 0.506 4.672 4.170 -0.007 0.000 0.290 1281 I C -0.745 175.351 176.117 -0.036 0.000 0.999 1281 I CA -0.884 60.399 61.300 -0.028 0.000 1.124 1281 I CB 2.098 40.094 38.000 -0.006 0.000 1.289 1281 I HN 0.290 nan 8.210 nan 0.000 0.441 1282 V N 4.397 124.288 119.914 -0.038 0.000 2.334 1282 V HA 0.257 4.373 4.120 -0.007 0.000 0.281 1282 V C -0.405 175.668 176.094 -0.036 0.000 1.016 1282 V CA -0.498 61.776 62.300 -0.043 0.000 0.832 1282 V CB 1.486 33.296 31.823 -0.020 0.000 0.999 1282 V HN 0.619 nan 8.190 nan 0.000 0.439 1283 D N 4.367 124.741 120.400 -0.042 0.000 2.467 1283 D HA 0.315 4.951 4.640 -0.007 0.000 0.220 1283 D C 0.384 176.674 176.300 -0.017 0.000 1.103 1283 D CA -0.394 53.587 54.000 -0.031 0.000 0.886 1283 D CB 1.684 42.466 40.800 -0.030 0.000 1.025 1283 D HN 0.301 nan 8.370 nan 0.000 0.514 1284 L N 2.946 124.166 121.223 -0.006 0.000 2.599 1284 L HA 0.211 4.547 4.340 -0.007 0.000 0.230 1284 L C 1.889 178.761 176.870 0.003 0.000 1.141 1284 L CA 0.441 55.287 54.840 0.010 0.000 0.877 1284 L CB -0.147 41.925 42.059 0.022 0.000 1.009 1284 L HN 0.502 nan 8.230 nan 0.000 0.447 1285 A N -1.211 121.605 122.820 -0.006 0.000 2.423 1285 A HA 0.470 4.786 4.320 -0.007 0.000 0.246 1285 A C 2.237 179.809 177.584 -0.020 0.000 1.278 1285 A CA 0.615 52.645 52.037 -0.011 0.000 0.903 1285 A CB -0.330 18.666 19.000 -0.007 0.000 0.997 1285 A HN 0.242 nan 8.150 nan 0.000 0.510 1286 A N 0.806 123.616 122.820 -0.017 0.000 1.940 1286 A HA -0.233 4.083 4.320 -0.007 0.000 0.219 1286 A C 2.152 179.720 177.584 -0.027 0.000 1.176 1286 A CA 1.692 53.718 52.037 -0.018 0.000 0.631 1286 A CB -0.425 18.571 19.000 -0.007 0.000 0.814 1286 A HN 0.693 nan 8.150 nan 0.000 0.446 1287 Q N 0.188 119.966 119.800 -0.037 0.000 2.226 1287 Q HA -0.153 4.183 4.340 -0.007 0.000 0.204 1287 Q C 0.362 176.316 176.000 -0.077 0.000 0.975 1287 Q CA 1.740 57.505 55.803 -0.063 0.000 0.866 1287 Q CB -0.785 27.899 28.738 -0.091 0.000 0.915 1287 Q HN 0.833 nan 8.270 nan 0.000 0.440 1288 N N 0.172 118.833 118.700 -0.065 0.000 2.380 1288 N HA 0.279 5.015 4.740 -0.007 0.000 0.255 1288 N C 0.194 175.679 175.510 -0.043 0.000 1.158 1288 N CA 0.195 53.209 53.050 -0.061 0.000 0.878 1288 N CB 0.959 39.411 38.487 -0.057 0.000 1.138 1288 N HN 0.507 nan 8.380 nan 0.000 0.509 1289 G N 0.504 109.280 108.800 -0.040 0.000 2.258 1289 G HA2 -0.173 3.783 3.960 -0.007 0.000 0.233 1289 G HA3 -0.173 3.783 3.960 -0.007 0.000 0.233 1289 G C 0.397 175.277 174.900 -0.034 0.000 1.006 1289 G CA -0.269 44.809 45.100 -0.036 0.000 0.620 1289 G HN 0.764 nan 8.290 nan 0.000 0.511 1290 G N -0.657 108.125 108.800 -0.029 0.000 2.692 1290 G HA2 0.111 4.067 3.960 -0.007 0.000 0.686 1290 G HA3 0.111 4.067 3.960 -0.007 0.000 0.686 1290 G C 0.136 175.022 174.900 -0.023 0.000 1.243 1290 G CA 0.414 45.499 45.100 -0.026 0.000 0.782 1290 G HN 0.831 nan 8.290 nan 0.000 0.625 1291 N N -1.006 117.681 118.700 -0.022 0.000 2.446 1291 N HA 0.005 4.741 4.740 -0.007 0.000 0.179 1291 N C 0.928 176.420 175.510 -0.030 0.000 1.054 1291 N CA 1.139 54.176 53.050 -0.022 0.000 0.905 1291 N CB 0.176 38.643 38.487 -0.033 0.000 0.973 1291 N HN 0.734 nan 8.380 nan 0.000 0.448 1292 C N 1.524 120.806 119.300 -0.029 0.000 2.295 1292 C HA 0.242 4.698 4.460 -0.007 0.000 0.331 1292 C C 1.745 176.711 174.990 -0.040 0.000 1.280 1292 C CA -0.679 58.327 59.018 -0.021 0.000 1.746 1292 C CB 0.054 27.801 27.740 0.011 0.000 2.328 1292 C HN 0.387 nan 8.230 nan 0.000 0.521 1293 E N 2.311 122.460 120.200 -0.085 0.000 2.204 1293 E HA -0.175 4.171 4.350 -0.007 0.000 0.195 1293 E C 0.408 176.895 176.600 -0.189 0.000 0.990 1293 E CA 1.516 57.822 56.400 -0.157 0.000 0.821 1293 E CB 0.030 29.589 29.700 -0.234 0.000 0.750 1293 E HN 0.872 nan 8.360 nan 0.000 0.477 1294 Y N 0.795 121.025 120.300 -0.117 0.000 2.511 1294 Y HA 0.039 4.586 4.550 -0.005 0.000 0.279 1294 Y C 0.853 176.598 175.900 -0.259 0.000 1.157 1294 Y CA 0.256 58.226 58.100 -0.217 0.000 1.300 1294 Y CB 0.114 38.531 38.460 -0.072 0.000 1.052 1294 Y HN -0.216 nan 8.280 nan 0.000 0.529 1295 T N 1.224 115.777 114.554 -0.002 0.000 2.902 1295 T HA 0.202 4.548 4.350 -0.007 0.000 0.301 1295 T C -0.118 174.540 174.700 -0.070 0.000 1.012 1295 T CA 0.145 62.232 62.100 -0.022 0.000 1.151 1295 T CB 0.730 69.587 68.868 -0.018 0.000 0.946 1295 T HN -0.236 nan 8.240 nan 0.000 0.542 1296 V N 7.747 127.639 119.914 -0.037 0.000 2.304 1296 V HA 0.267 4.383 4.120 -0.007 0.000 0.278 1296 V C -2.175 173.926 176.094 0.013 0.000 1.018 1296 V CA -2.137 60.150 62.300 -0.021 0.000 0.814 1296 V CB 0.978 32.813 31.823 0.020 0.000 1.021 1296 V HN 0.694 nan 8.190 nan 0.000 0.440 1297 P HA 0.191 nan 4.420 nan 0.000 0.262 1297 P C 1.102 178.431 177.300 0.049 0.000 1.182 1297 P CA 1.445 64.555 63.100 0.017 0.000 0.761 1297 P CB 0.638 32.337 31.700 -0.002 0.000 0.795 1298 G N 1.666 110.520 108.800 0.091 0.000 2.199 1298 G HA2 -0.219 3.737 3.960 -0.007 0.000 0.254 1298 G HA3 -0.219 3.737 3.960 -0.007 0.000 0.254 1298 G C -0.030 174.998 174.900 0.215 0.000 0.982 1298 G CA -0.088 45.097 45.100 0.142 0.000 0.632 1298 G HN 0.563 nan 8.290 nan 0.000 0.529 1299 E N -0.818 119.478 120.200 0.161 0.000 2.410 1299 E HA 0.668 5.014 4.350 -0.007 0.000 0.269 1299 E C -0.373 176.241 176.600 0.022 0.000 0.937 1299 E CA -1.120 55.371 56.400 0.153 0.000 0.793 1299 E CB 1.871 31.647 29.700 0.126 0.000 1.314 1299 E HN 0.206 nan 8.360 nan 0.000 0.447 1300 I N 1.832 122.420 120.570 0.029 0.000 2.365 1300 I HA 0.271 4.437 4.170 -0.007 0.000 0.291 1300 I C -0.741 175.421 176.117 0.075 0.000 1.004 1300 I CA -0.438 60.847 61.300 -0.024 0.000 1.311 1300 I CB 0.456 38.436 38.000 -0.033 0.000 1.401 1300 I HN 0.346 nan 8.210 nan 0.000 0.491 1301 F N 5.326 125.237 119.950 -0.066 0.000 2.458 1301 F HA 0.445 4.969 4.527 -0.005 0.000 0.336 1301 F C -0.174 175.566 175.800 -0.100 0.000 1.114 1301 F CA -0.248 57.715 58.000 -0.063 0.000 0.987 1301 F CB 1.543 40.516 39.000 -0.046 0.000 1.130 1301 F HN 0.277 nan 8.300 nan 0.000 0.458 1302 T N 4.569 118.656 114.554 -0.779 0.000 2.758 1302 T HA 0.317 4.663 4.350 -0.007 0.000 0.285 1302 T C 0.116 174.326 174.700 -0.817 0.000 0.981 1302 T CA -0.545 61.214 62.100 -0.568 0.000 0.965 1302 T CB 0.804 69.458 68.868 -0.356 0.000 0.927 1302 T HN 0.752 nan 8.240 nan 0.000 0.448 1303 T N 1.009 115.264 114.554 -0.498 0.000 2.766 1303 T HA 0.232 4.578 4.350 -0.007 0.000 0.295 1303 T C 1.289 175.823 174.700 -0.278 0.000 1.024 1303 T CA -0.554 61.289 62.100 -0.428 0.000 1.018 1303 T CB 0.827 69.436 68.868 -0.432 0.000 1.002 1303 T HN 0.589 nan 8.240 nan 0.000 0.532 1304 E N 0.962 121.059 120.200 -0.171 0.000 2.110 1304 E HA -0.168 4.178 4.350 -0.007 0.000 0.193 1304 E C 1.906 178.461 176.600 -0.074 0.000 0.988 1304 E CA 1.221 57.565 56.400 -0.094 0.000 0.804 1304 E CB -0.102 29.583 29.700 -0.023 0.000 0.745 1304 E HN 0.774 nan 8.360 nan 0.000 0.458 1305 N N -0.257 118.406 118.700 -0.062 0.000 2.461 1305 N HA -0.038 4.698 4.740 -0.007 0.000 0.188 1305 N C 0.928 176.406 175.510 -0.052 0.000 1.134 1305 N CA 1.054 54.081 53.050 -0.039 0.000 0.878 1305 N CB 0.764 39.247 38.487 -0.006 0.000 0.972 1305 N HN 0.178 nan 8.380 nan 0.000 0.456 1306 G N -0.443 108.305 108.800 -0.088 0.000 2.131 1306 G HA2 -0.227 3.729 3.960 -0.007 0.000 0.223 1306 G HA3 -0.227 3.729 3.960 -0.007 0.000 0.223 1306 G C -0.462 174.399 174.900 -0.066 0.000 0.990 1306 G CA 0.085 45.135 45.100 -0.084 0.000 0.671 1306 G HN 0.270 nan 8.290 nan 0.000 0.521 1307 V N 1.001 120.870 119.914 -0.075 0.000 2.432 1307 V HA 0.359 4.474 4.120 -0.007 0.000 0.275 1307 V C 0.748 176.804 176.094 -0.064 0.000 1.043 1307 V CA -0.325 61.950 62.300 -0.042 0.000 0.925 1307 V CB 1.485 33.295 31.823 -0.021 0.000 0.985 1307 V HN 0.303 nan 8.190 nan 0.000 0.466 1308 K N 3.997 124.381 120.400 -0.027 0.000 2.285 1308 K HA 0.431 4.747 4.320 -0.007 0.000 0.286 1308 K C -0.847 175.746 176.600 -0.011 0.000 1.072 1308 K CA -0.377 55.891 56.287 -0.032 0.000 0.913 1308 K CB 1.355 33.848 32.500 -0.011 0.000 1.067 1308 K HN 0.460 nan 8.250 nan 0.000 0.479 1309 V N 6.034 125.955 119.914 0.013 0.000 2.304 1309 V HA 0.224 4.340 4.120 -0.007 0.000 0.269 1309 V C 0.158 176.233 176.094 -0.031 0.000 1.036 1309 V CA -0.635 61.684 62.300 0.033 0.000 0.840 1309 V CB 0.196 32.097 31.823 0.130 0.000 1.036 1309 V HN 0.645 nan 8.190 nan 0.000 0.466 1310 I N 4.154 124.656 120.570 -0.113 0.000 2.337 1310 I HA 0.359 4.525 4.170 -0.007 0.000 0.291 1310 I C 1.246 177.205 176.117 -0.264 0.000 1.046 1310 I CA 0.306 61.428 61.300 -0.297 0.000 1.324 1310 I CB 1.112 38.911 38.000 -0.335 0.000 1.409 1310 I HN 0.684 nan 8.210 nan 0.000 0.494 1311 G N 5.829 114.461 108.800 -0.280 0.000 3.774 1311 G HA2 0.155 4.111 3.960 -0.007 0.000 0.287 1311 G HA3 0.155 4.111 3.960 -0.007 0.000 0.287 1311 G C -0.009 174.874 174.900 -0.027 0.000 1.030 1311 G CA -0.222 44.810 45.100 -0.113 0.000 0.824 1311 G HN 0.365 nan 8.290 nan 0.000 0.518 1312 Y N 1.395 121.707 120.300 0.020 0.000 2.811 1312 Y HA 0.127 4.672 4.550 -0.008 0.000 0.334 1312 Y C 1.901 177.800 175.900 -0.002 0.000 1.247 1312 Y CA 0.256 58.362 58.100 0.010 0.000 1.526 1312 Y CB 0.521 38.988 38.460 0.011 0.000 1.284 1312 Y HN 0.135 nan 8.280 nan 0.000 0.586 1313 T N -2.982 111.664 114.554 0.154 0.000 3.092 1313 T HA 0.092 4.438 4.350 -0.007 0.000 0.258 1313 T C -0.007 174.712 174.700 0.032 0.000 1.031 1313 T CA 0.106 62.241 62.100 0.058 0.000 0.925 1313 T CB -0.191 68.687 68.868 0.016 0.000 1.036 1313 T HN 0.627 nan 8.240 nan 0.000 0.544 1314 D N 0.699 121.129 120.400 0.050 0.000 2.908 1314 D HA 0.190 4.826 4.640 -0.007 0.000 0.361 1314 D C 1.162 177.469 176.300 0.012 0.000 1.416 1314 D CA -0.549 53.454 54.000 0.005 0.000 0.796 1314 D CB -0.584 40.200 40.800 -0.026 0.000 1.185 1314 D HN 0.285 nan 8.370 nan 0.000 0.451 1315 L N -0.089 121.167 121.223 0.054 0.000 2.042 1315 L HA -0.068 4.268 4.340 -0.007 0.000 0.210 1315 L C -0.521 176.378 176.870 0.049 0.000 1.076 1315 L CA 1.588 56.469 54.840 0.069 0.000 0.749 1315 L CB -1.451 40.669 42.059 0.101 0.000 0.893 1315 L HN 0.136 nan 8.230 nan 0.000 0.432 1316 P HA -0.119 nan 4.420 nan 0.000 0.217 1316 P C 1.532 178.847 177.300 0.024 0.000 1.150 1316 P CA 1.633 64.757 63.100 0.041 0.000 0.832 1316 P CB -0.197 31.525 31.700 0.036 0.000 0.787 1317 G N -0.290 108.512 108.800 0.004 0.000 2.509 1317 G HA2 -0.201 3.755 3.960 -0.007 0.000 0.218 1317 G HA3 -0.201 3.755 3.960 -0.007 0.000 0.218 1317 G C 1.473 176.358 174.900 -0.025 0.000 1.124 1317 G CA 0.158 45.253 45.100 -0.009 0.000 0.776 1317 G HN 0.268 nan 8.290 nan 0.000 0.547 1318 R N -1.148 119.334 120.500 -0.030 0.000 2.310 1318 R HA 0.264 4.600 4.340 -0.007 0.000 0.202 1318 R C 0.024 176.318 176.300 -0.009 0.000 0.933 1318 R CA -0.088 55.983 56.100 -0.047 0.000 1.054 1318 R CB 0.203 30.456 30.300 -0.077 0.000 0.985 1318 R HN 0.237 nan 8.270 nan 0.000 0.489 1319 L N 1.345 122.578 121.223 0.017 0.000 2.678 1319 L HA 0.291 4.627 4.340 -0.007 0.000 0.250 1319 L C -2.112 174.767 176.870 0.016 0.000 1.455 1319 L CA -1.766 53.090 54.840 0.026 0.000 0.823 1319 L CB 1.456 43.554 42.059 0.065 0.000 1.107 1319 L HN -0.162 nan 8.230 nan 0.000 0.514 1320 P HA -0.064 nan 4.420 nan 0.000 0.219 1320 P C 1.152 178.477 177.300 0.042 0.000 1.150 1320 P CA 1.106 64.218 63.100 0.019 0.000 0.814 1320 P CB 0.270 31.968 31.700 -0.004 0.000 0.787 1321 T N -0.189 114.350 114.554 -0.024 0.000 2.770 1321 T HA -0.141 4.205 4.350 -0.007 0.000 0.263 1321 T C 2.035 176.802 174.700 0.111 0.000 1.039 1321 T CA 1.403 63.478 62.100 -0.041 0.000 1.142 1321 T CB -0.628 68.116 68.868 -0.206 0.000 0.868 1321 T HN 0.086 nan 8.240 nan 0.000 0.435 1322 Q N 1.167 120.996 119.800 0.047 0.000 2.079 1322 Q HA -0.007 4.329 4.340 -0.007 0.000 0.200 1322 Q C 2.501 178.553 176.000 0.086 0.000 0.974 1322 Q CA 1.485 57.316 55.803 0.047 0.000 0.840 1322 Q CB -0.534 28.186 28.738 -0.030 0.000 0.898 1322 Q HN 0.383 nan 8.270 nan 0.000 0.430 1323 S N -0.410 115.345 115.700 0.092 0.000 2.368 1323 S HA -0.128 4.338 4.470 -0.007 0.000 0.225 1323 S C 2.010 176.722 174.600 0.185 0.000 1.030 1323 S CA 1.212 59.485 58.200 0.121 0.000 0.999 1323 S CB -0.334 62.921 63.200 0.092 0.000 0.844 1323 S HN 0.393 nan 8.310 nan 0.000 0.459 1324 S N 1.240 117.065 115.700 0.208 0.000 2.368 1324 S HA -0.154 4.312 4.470 -0.007 0.000 0.225 1324 S C 2.010 176.743 174.600 0.221 0.000 1.030 1324 S CA 1.360 59.720 58.200 0.266 0.000 0.999 1324 S CB -0.382 63.030 63.200 0.354 0.000 0.844 1324 S HN 0.447 nan 8.310 nan 0.000 0.459 1325 Q N 1.523 121.440 119.800 0.195 0.000 2.046 1325 Q HA 0.031 4.367 4.340 -0.007 0.000 0.200 1325 Q C 1.937 177.984 176.000 0.077 0.000 0.975 1325 Q CA 1.524 57.392 55.803 0.108 0.000 0.836 1325 Q CB -0.552 28.258 28.738 0.119 0.000 0.896 1325 Q HN 0.521 nan 8.270 nan 0.000 0.428 1326 L N -0.846 120.438 121.223 0.102 0.000 2.027 1326 L HA -0.134 4.202 4.340 -0.007 0.000 0.206 1326 L C 2.362 179.299 176.870 0.112 0.000 1.074 1326 L CA 1.461 56.354 54.840 0.088 0.000 0.745 1326 L CB -0.821 41.294 42.059 0.094 0.000 0.898 1326 L HN 0.295 nan 8.230 nan 0.000 0.433 1327 Y N 1.367 121.694 120.300 0.045 0.000 2.165 1327 Y HA -0.188 4.358 4.550 -0.007 0.000 0.286 1327 Y C 2.352 178.243 175.900 -0.016 0.000 1.155 1327 Y CA 1.522 59.639 58.100 0.028 0.000 1.164 1327 Y CB -0.643 37.860 38.460 0.071 0.000 0.978 1327 Y HN 0.070 nan 8.280 nan 0.000 0.513 1328 G N -1.426 107.352 108.800 -0.037 0.000 2.422 1328 G HA2 -0.238 3.718 3.960 -0.007 0.000 0.218 1328 G HA3 -0.238 3.718 3.960 -0.007 0.000 0.218 1328 G C 1.633 176.433 174.900 -0.166 0.000 1.146 1328 G CA 1.429 46.446 45.100 -0.138 0.000 0.769 1328 G HN 0.436 nan 8.290 nan 0.000 0.547 1329 T N 0.950 115.443 114.554 -0.102 0.000 2.777 1329 T HA -0.111 4.235 4.350 -0.007 0.000 0.266 1329 T C 2.203 176.831 174.700 -0.120 0.000 1.040 1329 T CA 1.270 63.317 62.100 -0.088 0.000 1.141 1329 T CB -0.369 68.474 68.868 -0.042 0.000 0.868 1329 T HN 0.449 nan 8.240 nan 0.000 0.444 1330 N N 1.102 119.715 118.700 -0.145 0.000 2.060 1330 N HA -0.100 4.636 4.740 -0.007 0.000 0.195 1330 N C 1.761 177.125 175.510 -0.243 0.000 1.028 1330 N CA 1.165 54.109 53.050 -0.175 0.000 0.861 1330 N CB -0.435 37.941 38.487 -0.186 0.000 1.029 1330 N HN 0.299 nan 8.380 nan 0.000 0.428 1331 L N 0.311 121.313 121.223 -0.367 0.000 2.056 1331 L HA -0.123 4.213 4.340 -0.007 0.000 0.207 1331 L C 2.238 178.981 176.870 -0.212 0.000 1.078 1331 L CA 0.737 55.376 54.840 -0.335 0.000 0.749 1331 L CB -0.720 41.088 42.059 -0.417 0.000 0.901 1331 L HN 0.078 nan 8.230 nan 0.000 0.433 1332 V N 0.535 120.348 119.914 -0.169 0.000 2.282 1332 V HA -0.311 3.805 4.120 -0.007 0.000 0.249 1332 V C 2.255 178.307 176.094 -0.071 0.000 1.057 1332 V CA 2.086 64.325 62.300 -0.102 0.000 1.032 1332 V CB -0.721 31.058 31.823 -0.073 0.000 0.645 1332 V HN 0.514 nan 8.190 nan 0.000 0.447 1333 N N -0.213 118.441 118.700 -0.077 0.000 2.309 1333 N HA -0.093 4.643 4.740 -0.007 0.000 0.182 1333 N C 1.612 177.095 175.510 -0.045 0.000 1.018 1333 N CA 1.058 54.079 53.050 -0.049 0.000 0.876 1333 N CB -0.390 38.069 38.487 -0.047 0.000 0.972 1333 N HN 0.438 nan 8.380 nan 0.000 0.434 1334 L N 0.892 122.070 121.223 -0.074 0.000 2.056 1334 L HA 0.038 4.374 4.340 -0.007 0.000 0.207 1334 L C 1.850 178.698 176.870 -0.036 0.000 1.078 1334 L CA 1.294 56.097 54.840 -0.062 0.000 0.749 1334 L CB -0.521 41.477 42.059 -0.101 0.000 0.901 1334 L HN 0.064 nan 8.230 nan 0.000 0.433 1335 L N -0.790 120.405 121.223 -0.047 0.000 2.201 1335 L HA -0.162 4.174 4.340 -0.007 0.000 0.212 1335 L C 2.498 179.413 176.870 0.075 0.000 1.105 1335 L CA 0.962 55.806 54.840 0.006 0.000 0.775 1335 L CB -0.485 41.544 42.059 -0.051 0.000 0.913 1335 L HN 0.261 nan 8.230 nan 0.000 0.440 1336 K N -0.299 120.125 120.400 0.040 0.000 2.097 1336 K HA -0.184 4.132 4.320 -0.007 0.000 0.206 1336 K C 1.997 178.617 176.600 0.033 0.000 1.049 1336 K CA 1.031 57.343 56.287 0.041 0.000 0.933 1336 K CB -0.092 32.419 32.500 0.017 0.000 0.717 1336 K HN 0.076 nan 8.250 nan 0.000 0.442 1337 L N 0.828 122.065 121.223 0.023 0.000 2.056 1337 L HA -0.104 4.232 4.340 -0.007 0.000 0.207 1337 L C 1.903 178.795 176.870 0.036 0.000 1.078 1337 L CA 1.533 56.387 54.840 0.024 0.000 0.749 1337 L CB -0.325 41.745 42.059 0.017 0.000 0.901 1337 L HN 0.154 nan 8.230 nan 0.000 0.433 1338 L N -2.347 118.905 121.223 0.048 0.000 2.395 1338 L HA -0.076 4.260 4.340 -0.007 0.000 0.218 1338 L C 0.910 177.827 176.870 0.078 0.000 1.130 1338 L CA 0.225 55.102 54.840 0.062 0.000 0.826 1338 L CB -0.048 42.050 42.059 0.065 0.000 0.941 1338 L HN 0.279 nan 8.230 nan 0.000 0.451 1339 C N 0.535 119.888 119.300 0.087 0.000 3.414 1339 C HA 0.208 4.664 4.460 -0.007 0.000 0.208 1339 C C 1.806 176.806 174.990 0.017 0.000 1.422 1339 C CA -0.847 58.209 59.018 0.064 0.000 1.437 1339 C CB -0.571 27.247 27.740 0.131 0.000 1.850 1339 C HN 0.241 nan 8.230 nan 0.000 0.481 1340 K N 0.498 120.904 120.400 0.009 0.000 2.209 1340 K HA -0.081 4.235 4.320 -0.007 0.000 0.204 1340 K C 1.339 177.927 176.600 -0.019 0.000 1.048 1340 K CA 1.326 57.612 56.287 -0.002 0.000 0.940 1340 K CB 0.250 32.750 32.500 0.000 0.000 0.729 1340 K HN 0.663 nan 8.250 nan 0.000 0.451 1341 E N 0.560 120.740 120.200 -0.034 0.000 2.442 1341 E HA 0.000 4.346 4.350 -0.007 0.000 0.195 1341 E C -0.093 176.466 176.600 -0.068 0.000 1.030 1341 E CA 0.123 56.495 56.400 -0.047 0.000 0.869 1341 E CB 0.203 29.874 29.700 -0.049 0.000 0.857 1341 E HN 0.213 nan 8.360 nan 0.000 0.505 1342 K N 1.137 121.483 120.400 -0.090 0.000 3.167 1342 K HA -0.147 4.169 4.320 -0.007 0.000 0.272 1342 K C -0.247 176.242 176.600 -0.185 0.000 1.137 1342 K CA 0.949 57.160 56.287 -0.126 0.000 0.800 1342 K CB -1.362 31.092 32.500 -0.076 0.000 1.253 1342 K HN 0.158 nan 8.250 nan 0.000 0.497 1343 D N -0.696 119.572 120.400 -0.221 0.000 2.440 1343 D HA 0.179 4.815 4.640 -0.007 0.000 0.216 1343 D C 0.999 177.113 176.300 -0.310 0.000 1.150 1343 D CA 0.482 54.357 54.000 -0.208 0.000 0.832 1343 D CB 0.358 41.081 40.800 -0.129 0.000 0.992 1343 D HN 0.366 nan 8.370 nan 0.000 0.502 1344 G N 0.435 108.861 108.800 -0.622 0.000 2.143 1344 G HA2 -0.277 3.679 3.960 -0.007 0.000 0.248 1344 G HA3 -0.277 3.679 3.960 -0.007 0.000 0.248 1344 G C -0.184 174.480 174.900 -0.394 0.000 0.991 1344 G CA -0.078 44.461 45.100 -0.934 0.000 0.689 1344 G HN 0.483 nan 8.290 nan 0.000 0.522 1345 N N 0.044 118.610 118.700 -0.222 0.000 2.342 1345 N HA 0.540 5.276 4.740 -0.007 0.000 0.293 1345 N C -0.298 175.255 175.510 0.071 0.000 1.026 1345 N CA -0.657 52.387 53.050 -0.011 0.000 0.857 1345 N CB 0.974 39.438 38.487 -0.038 0.000 1.256 1345 N HN -0.026 nan 8.380 nan 0.000 0.484 1346 I N 2.232 122.881 120.570 0.131 0.000 2.342 1346 I HA 0.236 4.402 4.170 -0.007 0.000 0.291 1346 I C 0.422 176.570 176.117 0.052 0.000 1.010 1346 I CA -0.079 61.293 61.300 0.119 0.000 1.308 1346 I CB 0.870 38.940 38.000 0.117 0.000 1.400 1346 I HN 0.291 nan 8.210 nan 0.000 0.488 1347 T N 5.854 120.430 114.554 0.037 0.000 2.881 1347 T HA 0.404 4.750 4.350 -0.007 0.000 0.291 1347 T C -0.261 174.442 174.700 0.006 0.000 0.990 1347 T CA -0.394 61.711 62.100 0.007 0.000 0.976 1347 T CB 1.825 70.695 68.868 0.002 0.000 0.970 1347 T HN 0.178 nan 8.240 nan 0.000 0.438 1348 V N 3.845 123.743 119.914 -0.028 0.000 2.364 1348 V HA 0.353 4.469 4.120 -0.007 0.000 0.272 1348 V C -0.105 175.963 176.094 -0.044 0.000 1.036 1348 V CA -0.559 61.723 62.300 -0.030 0.000 0.880 1348 V CB 1.138 32.895 31.823 -0.111 0.000 0.991 1348 V HN 0.805 nan 8.190 nan 0.000 0.460 1349 D N 3.997 124.437 120.400 0.065 0.000 2.461 1349 D HA 0.295 4.931 4.640 -0.007 0.000 0.240 1349 D C 0.566 177.017 176.300 0.251 0.000 1.094 1349 D CA -0.404 53.651 54.000 0.092 0.000 0.868 1349 D CB 0.641 41.479 40.800 0.063 0.000 1.062 1349 D HN 0.437 nan 8.370 nan 0.000 0.530 1350 F N 1.114 121.068 119.950 0.006 0.000 2.699 1350 F HA -0.073 4.449 4.527 -0.007 0.000 0.298 1350 F C 1.423 177.225 175.800 0.002 0.000 1.154 1350 F CA -0.120 57.883 58.000 0.006 0.000 1.457 1350 F CB 0.537 39.541 39.000 0.007 0.000 1.106 1350 F HN 0.305 nan 8.300 nan 0.000 0.585 1351 D N -0.066 120.437 120.400 0.171 0.000 2.219 1351 D HA -0.133 4.503 4.640 -0.007 0.000 0.205 1351 D C 0.638 176.971 176.300 0.055 0.000 0.970 1351 D CA 0.988 55.039 54.000 0.085 0.000 0.851 1351 D CB -0.359 40.478 40.800 0.061 0.000 0.943 1351 D HN 0.141 nan 8.370 nan 0.000 0.488 1352 D N 0.540 120.980 120.400 0.067 0.000 2.336 1352 D HA -0.008 4.628 4.640 -0.007 0.000 0.249 1352 D C 1.708 178.020 176.300 0.019 0.000 1.213 1352 D CA -0.253 53.772 54.000 0.041 0.000 0.870 1352 D CB 1.304 42.133 40.800 0.049 0.000 1.076 1352 D HN -0.124 nan 8.370 nan 0.000 0.483 1353 V N 2.609 122.519 119.914 -0.006 0.000 2.568 1353 V HA -0.221 3.895 4.120 -0.007 0.000 0.253 1353 V C 2.085 178.156 176.094 -0.038 0.000 1.072 1353 V CA 1.220 63.497 62.300 -0.037 0.000 1.084 1353 V CB -0.958 30.844 31.823 -0.035 0.000 0.676 1353 V HN 0.421 nan 8.190 nan 0.000 0.469 1354 V N 0.264 120.170 119.914 -0.013 0.000 2.295 1354 V HA -0.190 3.926 4.120 -0.007 0.000 0.246 1354 V C 2.576 178.669 176.094 -0.002 0.000 1.049 1354 V CA 2.183 64.478 62.300 -0.008 0.000 1.024 1354 V CB -0.614 31.210 31.823 0.001 0.000 0.648 1354 V HN 0.428 nan 8.190 nan 0.000 0.447 1355 I N 0.138 120.722 120.570 0.024 0.000 2.252 1355 I HA -0.150 4.016 4.170 -0.007 0.000 0.245 1355 I C 2.586 178.723 176.117 0.033 0.000 1.102 1355 I CA 1.458 62.801 61.300 0.071 0.000 1.385 1355 I CB -1.265 36.819 38.000 0.140 0.000 1.064 1355 I HN 0.303 nan 8.210 nan 0.000 0.414 1356 R N 1.553 121.993 120.500 -0.100 0.000 2.105 1356 R HA -0.117 4.219 4.340 -0.007 0.000 0.239 1356 R C 2.308 178.431 176.300 -0.294 0.000 1.135 1356 R CA 1.762 57.587 56.100 -0.458 0.000 0.967 1356 R CB -1.043 28.985 30.300 -0.453 0.000 0.861 1356 R HN 0.352 nan 8.270 nan 0.000 0.442 1357 G N -0.818 107.900 108.800 -0.136 0.000 2.404 1357 G HA2 -0.204 3.752 3.960 -0.007 0.000 0.215 1357 G HA3 -0.204 3.752 3.960 -0.007 0.000 0.215 1357 G C 1.420 176.318 174.900 -0.003 0.000 1.174 1357 G CA 0.722 45.782 45.100 -0.066 0.000 0.780 1357 G HN 0.281 nan 8.290 nan 0.000 0.537 1358 V N 1.130 121.044 119.914 0.000 0.000 2.667 1358 V HA 0.051 4.167 4.120 -0.007 0.000 0.252 1358 V C 1.229 177.351 176.094 0.047 0.000 1.065 1358 V CA 1.475 63.784 62.300 0.015 0.000 1.083 1358 V CB -0.344 31.477 31.823 -0.004 0.000 0.692 1358 V HN 0.249 nan 8.190 nan 0.000 0.468 1359 T N 1.101 115.702 114.554 0.077 0.000 2.738 1359 T HA 0.216 4.562 4.350 -0.007 0.000 0.294 1359 T C 0.905 175.699 174.700 0.157 0.000 0.914 1359 T CA 0.595 62.790 62.100 0.158 0.000 1.052 1359 T CB 1.179 70.269 68.868 0.370 0.000 0.897 1359 T HN 0.370 nan 8.240 nan 0.000 0.522 1360 V N 1.696 121.699 119.914 0.148 0.000 3.565 1360 V HA 0.509 4.625 4.120 -0.007 0.000 0.260 1360 V C 0.390 176.587 176.094 0.171 0.000 1.231 1360 V CA 0.374 62.785 62.300 0.186 0.000 1.100 1360 V CB -0.196 31.685 31.823 0.097 0.000 0.807 1360 V HN 0.692 nan 8.190 nan 0.000 0.454 1361 I N 0.862 121.515 120.570 0.139 0.000 2.619 1361 I HA 0.564 4.730 4.170 -0.007 0.000 0.292 1361 I C -0.585 175.610 176.117 0.130 0.000 1.100 1361 I CA -0.717 60.659 61.300 0.127 0.000 1.043 1361 I CB 2.482 40.530 38.000 0.080 0.000 1.239 1361 I HN 0.043 nan 8.210 nan 0.000 0.420 1362 R N 4.891 125.468 120.500 0.127 0.000 2.388 1362 R HA 0.635 4.971 4.340 -0.007 0.000 0.314 1362 R C 0.054 176.375 176.300 0.036 0.000 0.959 1362 R CA -0.197 55.948 56.100 0.075 0.000 0.851 1362 R CB 1.528 31.862 30.300 0.058 0.000 1.168 1362 R HN 0.900 nan 8.270 nan 0.000 0.472 1363 A N 3.228 126.061 122.820 0.023 0.000 2.511 1363 A HA -0.184 4.132 4.320 -0.007 0.000 0.297 1363 A C 1.113 178.712 177.584 0.024 0.000 1.476 1363 A CA 1.462 53.509 52.037 0.016 0.000 0.757 1363 A CB -2.000 16.999 19.000 -0.003 0.000 1.072 1363 A HN 1.648 nan 8.150 nan 0.000 0.413 1364 G N -1.892 106.929 108.800 0.035 0.000 2.234 1364 G HA2 -0.183 3.773 3.960 -0.007 0.000 0.235 1364 G HA3 -0.183 3.773 3.960 -0.007 0.000 0.235 1364 G C -0.191 174.736 174.900 0.046 0.000 0.997 1364 G CA 0.498 45.619 45.100 0.035 0.000 0.623 1364 G HN 1.168 nan 8.290 nan 0.000 0.514 1365 E N 0.656 120.890 120.200 0.056 0.000 2.174 1365 E HA 0.517 4.863 4.350 -0.007 0.000 0.282 1365 E C 0.552 177.213 176.600 0.101 0.000 0.992 1365 E CA -0.718 55.725 56.400 0.072 0.000 0.803 1365 E CB 1.411 31.154 29.700 0.071 0.000 1.090 1365 E HN 0.447 nan 8.360 nan 0.000 0.396 1366 I N 2.390 123.023 120.570 0.106 0.000 2.587 1366 I HA -0.082 4.083 4.170 -0.007 0.000 0.284 1366 I C 1.401 177.616 176.117 0.164 0.000 1.134 1366 I CA 0.547 61.932 61.300 0.141 0.000 1.410 1366 I CB 0.266 38.353 38.000 0.145 0.000 1.392 1366 I HN 0.504 nan 8.210 nan 0.000 0.545 1367 T N 0.961 115.635 114.554 0.199 0.000 3.085 1367 T HA 0.078 4.424 4.350 -0.007 0.000 0.264 1367 T C -0.339 174.453 174.700 0.154 0.000 1.019 1367 T CA -0.495 61.712 62.100 0.179 0.000 0.910 1367 T CB -0.134 68.888 68.868 0.257 0.000 1.059 1367 T HN 0.556 nan 8.240 nan 0.000 0.542 1368 W N 4.004 125.312 121.300 0.013 0.000 2.438 1368 W HA 0.580 5.236 4.660 -0.007 0.000 0.324 1368 W C -2.495 174.026 176.519 0.004 0.000 1.119 1368 W CA -2.128 55.214 57.345 -0.004 0.000 1.221 1368 W CB 1.174 30.640 29.460 0.008 0.000 1.253 1368 W HN -0.080 nan 8.180 nan 0.000 0.555 1369 P HA 0.359 nan 4.420 nan 0.000 0.281 1369 P C -0.969 176.043 177.300 -0.480 0.000 1.249 1369 P CA -0.376 62.020 63.100 -1.173 0.000 0.810 1369 P CB 1.148 32.092 31.700 -1.260 0.000 1.008 1370 A N 3.275 125.872 122.820 -0.372 0.000 2.386 1370 A HA 0.447 4.763 4.320 -0.007 0.000 0.248 1370 A C -1.934 175.518 177.584 -0.220 0.000 1.082 1370 A CA -1.044 50.844 52.037 -0.247 0.000 0.789 1370 A CB -1.515 17.365 19.000 -0.201 0.000 1.025 1370 A HN 0.442 nan 8.150 nan 0.000 0.490 1371 P HA 0.167 nan 4.420 nan 0.000 0.264 1371 P C -2.279 174.951 177.300 -0.117 0.000 1.179 1371 P CA -0.296 62.725 63.100 -0.131 0.000 0.763 1371 P CB -0.468 31.171 31.700 -0.103 0.000 0.806 1372 P HA 0.100 nan 4.420 nan 0.000 0.266 1372 P C -0.316 176.947 177.300 -0.062 0.000 1.186 1372 P CA 0.577 63.630 63.100 -0.078 0.000 0.767 1372 P CB 0.345 32.008 31.700 -0.062 0.000 0.820 1373 I N 0.813 121.353 120.570 -0.050 0.000 2.994 1373 I HA 0.282 4.448 4.170 -0.007 0.000 0.306 1373 I C -1.126 174.975 176.117 -0.026 0.000 1.195 1373 I CA -0.988 60.289 61.300 -0.038 0.000 1.001 1373 I CB 2.280 40.255 38.000 -0.041 0.000 1.244 1373 I HN 0.240 nan 8.210 nan 0.000 0.437 1374 Q N 3.353 123.141 119.800 -0.020 0.000 2.245 1374 Q HA 0.651 4.987 4.340 -0.007 0.000 0.256 1374 Q C -0.771 175.224 176.000 -0.008 0.000 0.942 1374 Q CA -0.497 55.298 55.803 -0.013 0.000 0.896 1374 Q CB 2.612 31.343 28.738 -0.012 0.000 1.272 1374 Q HN 0.534 nan 8.270 nan 0.000 0.442 1375 V N -0.332 119.581 119.914 -0.003 0.000 6.587 1375 V HA 0.611 4.727 4.120 -0.007 0.000 0.139 1375 V C -0.784 175.313 176.094 0.005 0.000 1.337 1375 V CA -0.596 61.706 62.300 0.002 0.000 1.043 1375 V CB 1.554 33.381 31.823 0.007 0.000 2.178 1375 V HN 0.663 nan 8.190 nan 0.000 0.334 1376 S N -1.666 114.040 115.700 0.010 0.000 2.680 1376 S HA 0.600 5.066 4.470 -0.007 0.000 0.284 1376 S C -0.738 173.873 174.600 0.018 0.000 1.055 1376 S CA 0.653 58.860 58.200 0.012 0.000 0.849 1376 S CB 0.945 64.152 63.200 0.012 0.000 1.068 1376 S HN 2.518 nan 8.310 nan 0.000 0.453 1377 A N 0.000 122.830 122.820 0.016 0.000 2.254 1377 A HA 0.000 4.316 4.320 -0.007 0.000 0.244 1377 A CA 0.000 52.049 52.037 0.020 0.000 0.836 1377 A CB 0.000 19.018 19.000 0.030 0.000 0.831 1377 A HN 0.000 nan 8.150 nan 0.000 0.486