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 1uiv_1_B DATA FIRST_RESID 1004 DATA SEQUENCE DEITTAWPVN VGPLNPHLYT PNQMFAQSMV YEPLVKYQAD GSVIPWLAKS DATA SEQUENCE WTHSEDGKTW TFTLRDDVKF SNGEPFDAEA AAENFRAVLD NRQRHAWLEL DATA SEQUENCE ANQIVDVKAL SKTELQITLK SAYYPFLQEL ALPRPFRFIA PSQFKNHETM DATA SEQUENCE NGIKAPIGTG PWILQESKLN QYDVFVRNEN YWGEKPAIKK ITFNVIPDPT DATA SEQUENCE TRAVAFETGD IDLLYGNEGL LPLDTFARFS QNPAYHTQLS QPIETVMLAL DATA SEQUENCE NTAKAPTNEL AVREALNYAV NKKSLIDNAL YGTQQVADTL FAPSVPYANL DATA SEQUENCE GLKPSQYDPQ KAKALLEKAG WTLPAGKDIR EKNGQPLRIE LSFIGTDALS DATA SEQUENCE KSMAEIIRAD MRQIGADVSL IGEEESSIYA RQRDGRFGMI FHRTWGAPYD DATA SEQUENCE PHAFLSSMRV PSHADFQAQQ GLADKPLIDK EIGEVLATHD ETQRQALYRD DATA SEQUENCE ILTRLHDEAV YLPISYISMM VVSKPELGNI PYAPIATEIP FEQIKP 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 1004 D HA 0.000 nan 4.640 nan 0.000 0.175 1004 D C 0.000 176.303 176.300 0.004 0.000 2.045 1004 D CA 0.000 54.002 54.000 0.004 0.000 0.868 1004 D CB 0.000 40.803 40.800 0.005 0.000 0.688 1005 E N 2.205 122.393 120.200 -0.020 0.000 2.314 1005 E HA 0.669 5.019 4.350 -0.001 0.000 0.272 1005 E C -0.645 175.912 176.600 -0.071 0.000 0.884 1005 E CA -0.965 55.410 56.400 -0.043 0.000 0.753 1005 E CB 2.514 32.187 29.700 -0.044 0.000 1.213 1005 E HN 0.467 nan 8.360 nan 0.000 0.432 1006 I N -1.965 118.535 120.570 -0.117 0.000 2.892 1006 I HA 0.675 4.845 4.170 -0.001 0.000 0.306 1006 I C -0.661 175.344 176.117 -0.186 0.000 1.078 1006 I CA -0.693 60.528 61.300 -0.132 0.000 1.032 1006 I CB 2.447 40.377 38.000 -0.117 0.000 1.229 1006 I HN 0.223 nan 8.210 nan 0.000 0.435 1007 T N 2.620 117.081 114.554 -0.154 0.000 2.841 1007 T HA 0.667 5.016 4.350 -0.001 0.000 0.283 1007 T C -0.151 174.454 174.700 -0.157 0.000 1.000 1007 T CA -0.461 61.536 62.100 -0.172 0.000 0.977 1007 T CB 1.874 70.680 68.868 -0.102 0.000 0.979 1007 T HN 0.882 nan 8.240 nan 0.000 0.446 1008 T N 0.344 114.750 114.554 -0.246 0.000 2.676 1008 T HA 0.939 5.288 4.350 -0.001 0.000 0.269 1008 T C -0.645 174.048 174.700 -0.012 0.000 0.952 1008 T CA -1.030 60.981 62.100 -0.148 0.000 1.040 1008 T CB 1.464 70.168 68.868 -0.274 0.000 1.352 1008 T HN 0.802 nan 8.240 nan 0.000 0.554 1009 A N -0.429 122.469 122.820 0.131 0.000 2.566 1009 A HA 0.782 5.102 4.320 -0.001 0.000 0.292 1009 A C -2.162 175.704 177.584 0.469 0.000 1.112 1009 A CA -0.821 51.373 52.037 0.263 0.000 0.707 1009 A CB 1.714 20.820 19.000 0.178 0.000 1.302 1009 A HN 0.820 nan 8.150 nan 0.000 0.409 1010 W N 0.910 122.329 121.300 0.199 0.000 3.363 1010 W HA 0.385 5.044 4.660 -0.001 0.000 0.306 1010 W C -2.820 173.784 176.519 0.142 0.000 1.253 1010 W CA -1.538 55.914 57.345 0.179 0.000 1.195 1010 W CB 2.078 31.710 29.460 0.286 0.000 1.366 1010 W HN 0.505 nan 8.180 nan 0.000 0.551 1011 P HA -0.043 nan 4.420 nan 0.000 0.230 1011 P C 0.026 177.329 177.300 0.005 0.000 1.158 1011 P CA 1.078 64.076 63.100 -0.170 0.000 0.769 1011 P CB 0.680 32.191 31.700 -0.315 0.000 0.807 1012 V N -1.191 118.826 119.914 0.171 0.000 3.188 1012 V HA 0.236 4.356 4.120 -0.001 0.000 0.305 1012 V C -0.531 175.757 176.094 0.323 0.000 1.232 1012 V CA -1.151 61.273 62.300 0.207 0.000 1.043 1012 V CB 2.462 34.379 31.823 0.156 0.000 1.068 1012 V HN -0.185 nan 8.190 nan 0.000 0.439 1013 N N 1.004 119.815 118.700 0.184 0.000 2.340 1013 N HA 0.090 4.830 4.740 -0.001 0.000 0.236 1013 N C 0.675 176.254 175.510 0.115 0.000 1.296 1013 N CA 0.069 53.202 53.050 0.139 0.000 0.896 1013 N CB 1.566 40.079 38.487 0.045 0.000 1.127 1013 N HN 0.443 nan 8.380 nan 0.000 0.442 1014 V N 0.494 120.416 119.914 0.014 0.000 2.871 1014 V HA 0.034 4.154 4.120 -0.001 0.000 0.256 1014 V C 1.181 177.203 176.094 -0.121 0.000 1.082 1014 V CA 1.668 63.884 62.300 -0.140 0.000 1.105 1014 V CB -0.972 30.726 31.823 -0.208 0.000 0.713 1014 V HN 1.039 nan 8.190 nan 0.000 0.473 1015 G N -0.441 108.321 108.800 -0.065 0.000 2.526 1015 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.250 1015 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.250 1015 G C -1.933 172.929 174.900 -0.063 0.000 1.289 1015 G CA -0.184 44.883 45.100 -0.054 0.000 0.947 1015 G HN 0.152 nan 8.290 nan 0.000 0.517 1016 P HA 0.171 nan 4.420 nan 0.000 0.226 1016 P C 1.181 178.462 177.300 -0.032 0.000 1.153 1016 P CA 1.060 64.132 63.100 -0.046 0.000 0.777 1016 P CB -0.067 31.607 31.700 -0.044 0.000 0.794 1017 L N -2.008 119.194 121.223 -0.034 0.000 3.597 1017 L HA -0.197 4.143 4.340 -0.001 0.000 0.440 1017 L C 0.170 177.071 176.870 0.052 0.000 1.277 1017 L CA -0.309 54.552 54.840 0.036 0.000 0.852 1017 L CB -2.140 39.968 42.059 0.082 0.000 1.708 1017 L HN 0.239 nan 8.230 nan 0.000 0.885 1018 N N 2.480 121.133 118.700 -0.079 0.000 2.442 1018 N HA 0.163 4.903 4.740 -0.001 0.000 0.265 1018 N C -0.898 174.390 175.510 -0.371 0.000 1.138 1018 N CA -1.548 51.380 53.050 -0.204 0.000 0.956 1018 N CB 1.248 39.636 38.487 -0.165 0.000 1.067 1018 N HN 0.100 nan 8.380 nan 0.000 0.474 1019 P HA -0.063 nan 4.420 nan 0.000 0.226 1019 P C 0.078 177.048 177.300 -0.551 0.000 1.153 1019 P CA 1.213 63.760 63.100 -0.922 0.000 0.777 1019 P CB 0.296 31.049 31.700 -1.577 0.000 0.794 1020 H N -1.684 117.148 119.070 -0.397 0.000 2.755 1020 H HA 0.366 4.921 4.556 -0.001 0.000 0.273 1020 H C 1.108 176.289 175.328 -0.245 0.000 1.055 1020 H CA -0.186 55.655 56.048 -0.345 0.000 1.191 1020 H CB 0.335 29.931 29.762 -0.276 0.000 1.536 1020 H HN 0.156 nan 8.280 nan 0.000 0.529 1021 L N -0.858 120.247 121.223 -0.197 0.000 2.267 1021 L HA 0.344 4.683 4.340 -0.001 0.000 0.264 1021 L C -0.001 176.621 176.870 -0.412 0.000 1.021 1021 L CA -1.071 53.669 54.840 -0.167 0.000 0.861 1021 L CB 1.080 43.119 42.059 -0.033 0.000 1.443 1021 L HN -0.118 nan 8.230 nan 0.000 0.475 1022 Y N -1.120 119.142 120.300 -0.063 0.000 3.263 1022 Y HA 0.266 4.816 4.550 -0.001 0.000 0.347 1022 Y C 0.917 176.756 175.900 -0.102 0.000 1.338 1022 Y CA -0.550 57.493 58.100 -0.094 0.000 0.884 1022 Y CB -0.371 38.011 38.460 -0.130 0.000 1.199 1022 Y HN 0.525 nan 8.280 nan 0.000 0.852 1023 T N 1.960 116.554 114.554 0.066 0.000 2.946 1023 T HA 0.095 4.445 4.350 -0.001 0.000 0.311 1023 T C -1.718 172.973 174.700 -0.016 0.000 1.063 1023 T CA -1.026 61.070 62.100 -0.006 0.000 1.139 1023 T CB 0.727 69.572 68.868 -0.038 0.000 0.994 1023 T HN 0.450 nan 8.240 nan 0.000 0.547 1024 P HA 0.154 nan 4.420 nan 0.000 0.261 1024 P C -0.412 176.874 177.300 -0.024 0.000 1.352 1024 P CA -0.495 62.597 63.100 -0.013 0.000 0.891 1024 P CB 0.140 31.833 31.700 -0.012 0.000 1.383 1025 N N 1.990 120.659 118.700 -0.052 0.000 2.454 1025 N HA 0.035 4.774 4.740 -0.001 0.000 0.260 1025 N C 0.231 175.679 175.510 -0.104 0.000 1.218 1025 N CA 0.365 53.358 53.050 -0.096 0.000 0.904 1025 N CB 0.629 39.038 38.487 -0.129 0.000 1.065 1025 N HN 0.197 nan 8.380 nan 0.000 0.462 1026 Q N 2.390 122.080 119.800 -0.184 0.000 2.274 1026 Q HA 0.206 4.546 4.340 -0.001 0.000 0.256 1026 Q C 1.119 176.904 176.000 -0.359 0.000 0.927 1026 Q CA -0.211 55.467 55.803 -0.209 0.000 0.939 1026 Q CB 1.628 30.169 28.738 -0.329 0.000 1.201 1026 Q HN 0.570 nan 8.270 nan 0.000 0.426 1027 M N 1.609 121.107 119.600 -0.171 0.000 2.213 1027 M HA -0.171 4.309 4.480 -0.001 0.000 0.263 1027 M C 1.463 177.653 176.300 -0.184 0.000 1.062 1027 M CA 1.612 56.828 55.300 -0.140 0.000 1.105 1027 M CB -0.278 32.304 32.600 -0.031 0.000 1.385 1027 M HN 0.650 nan 8.290 nan 0.000 0.417 1028 F N -0.464 119.362 119.950 -0.206 0.000 2.234 1028 F HA 0.074 4.601 4.527 -0.000 0.000 0.299 1028 F C 2.202 177.846 175.800 -0.260 0.000 1.087 1028 F CA 0.897 58.749 58.000 -0.246 0.000 1.340 1028 F CB -1.083 37.683 39.000 -0.390 0.000 1.031 1028 F HN -0.018 nan 8.300 nan 0.000 0.500 1029 A N 0.593 122.538 122.820 -1.459 0.000 1.897 1029 A HA -0.137 4.183 4.320 -0.001 0.000 0.215 1029 A C 2.240 179.596 177.584 -0.379 0.000 1.181 1029 A CA 1.400 52.814 52.037 -1.038 0.000 0.620 1029 A CB -0.967 17.354 19.000 -1.131 0.000 0.821 1029 A HN 0.557 nan 8.150 nan 0.000 0.443 1030 Q N -0.138 119.504 119.800 -0.263 0.000 2.152 1030 Q HA -0.133 4.207 4.340 -0.001 0.000 0.206 1030 Q C 2.129 178.172 176.000 0.070 0.000 0.985 1030 Q CA 1.812 57.624 55.803 0.014 0.000 0.863 1030 Q CB -0.163 28.559 28.738 -0.026 0.000 0.904 1030 Q HN 0.610 nan 8.270 nan 0.000 0.422 1031 S N -0.279 115.413 115.700 -0.013 0.000 2.527 1031 S HA 0.052 4.521 4.470 -0.001 0.000 0.222 1031 S C 1.595 176.239 174.600 0.074 0.000 0.985 1031 S CA 0.449 58.677 58.200 0.047 0.000 0.921 1031 S CB 0.082 63.303 63.200 0.037 0.000 0.772 1031 S HN 0.318 nan 8.310 nan 0.000 0.529 1032 M N 0.019 119.641 119.600 0.035 0.000 2.236 1032 M HA 0.028 4.508 4.480 -0.001 0.000 0.266 1032 M C 1.736 178.120 176.300 0.140 0.000 1.070 1032 M CA 1.072 56.463 55.300 0.152 0.000 1.137 1032 M CB -0.057 32.474 32.600 -0.115 0.000 1.378 1032 M HN 0.146 nan 8.290 nan 0.000 0.426 1033 V N -1.727 118.174 119.914 -0.022 0.000 2.795 1033 V HA -0.009 4.111 4.120 -0.001 0.000 0.243 1033 V C 0.172 176.072 176.094 -0.324 0.000 1.069 1033 V CA 0.712 62.878 62.300 -0.224 0.000 1.089 1033 V CB -0.070 31.468 31.823 -0.474 0.000 0.756 1033 V HN 0.209 nan 8.190 nan 0.000 0.471 1034 Y N 0.018 120.385 120.300 0.111 0.000 2.487 1034 Y HA 0.631 5.181 4.550 -0.001 0.000 0.337 1034 Y C 0.219 176.207 175.900 0.147 0.000 1.076 1034 Y CA -0.838 57.338 58.100 0.127 0.000 1.115 1034 Y CB 1.329 39.816 38.460 0.045 0.000 1.235 1034 Y HN 0.082 nan 8.280 nan 0.000 0.468 1035 E N 3.497 123.931 120.200 0.390 0.000 2.312 1035 E HA 0.401 4.751 4.350 -0.001 0.000 0.267 1035 E C -2.801 174.025 176.600 0.377 0.000 0.894 1035 E CA -2.320 54.320 56.400 0.400 0.000 0.773 1035 E CB 2.592 32.635 29.700 0.571 0.000 1.241 1035 E HN 0.256 nan 8.360 nan 0.000 0.432 1036 P HA 0.216 nan 4.420 nan 0.000 0.283 1036 P C 0.597 178.133 177.300 0.393 0.000 1.271 1036 P CA -0.469 62.797 63.100 0.277 0.000 0.841 1036 P CB 1.305 33.061 31.700 0.093 0.000 1.122 1037 L N -0.212 121.200 121.223 0.315 0.000 2.127 1037 L HA -0.020 4.319 4.340 -0.001 0.000 0.211 1037 L C 1.068 178.047 176.870 0.181 0.000 1.089 1037 L CA 1.510 56.442 54.840 0.153 0.000 0.757 1037 L CB -0.310 41.652 42.059 -0.161 0.000 0.899 1037 L HN 0.166 nan 8.230 nan 0.000 0.434 1038 V N -0.907 119.079 119.914 0.119 0.000 2.971 1038 V HA 0.312 4.431 4.120 -0.001 0.000 0.309 1038 V C -0.721 175.420 176.094 0.079 0.000 1.130 1038 V CA -0.965 61.404 62.300 0.114 0.000 0.964 1038 V CB 2.833 34.543 31.823 -0.188 0.000 1.029 1038 V HN 0.013 nan 8.190 nan 0.000 0.427 1039 K N 2.609 123.065 120.400 0.093 0.000 2.323 1039 K HA 0.469 4.789 4.320 -0.001 0.000 0.259 1039 K C -1.411 175.189 176.600 -0.001 0.000 0.947 1039 K CA -0.622 55.602 56.287 -0.106 0.000 0.819 1039 K CB 1.457 33.666 32.500 -0.485 0.000 1.109 1039 K HN 0.649 nan 8.250 nan 0.000 0.429 1040 Y N 3.237 123.469 120.300 -0.113 0.000 2.497 1040 Y HA 0.024 4.573 4.550 -0.001 0.000 0.334 1040 Y C -0.332 175.549 175.900 -0.032 0.000 1.199 1040 Y CA 0.606 58.675 58.100 -0.052 0.000 1.425 1040 Y CB 0.747 39.176 38.460 -0.052 0.000 1.291 1040 Y HN 0.497 nan 8.280 nan 0.000 0.562 1041 Q N 3.736 123.054 119.800 -0.803 0.000 2.399 1041 Q HA 0.511 4.850 4.340 -0.001 0.000 0.276 1041 Q C 0.606 176.088 176.000 -0.864 0.000 1.098 1041 Q CA -0.155 55.308 55.803 -0.566 0.000 0.827 1041 Q CB 1.965 30.544 28.738 -0.265 0.000 1.386 1041 Q HN 0.858 nan 8.270 nan 0.000 0.443 1042 A N 1.443 124.032 122.820 -0.385 0.000 1.940 1042 A HA -0.203 4.117 4.320 -0.001 0.000 0.219 1042 A C 1.104 178.592 177.584 -0.160 0.000 1.176 1042 A CA 2.177 54.090 52.037 -0.208 0.000 0.631 1042 A CB -0.526 18.442 19.000 -0.052 0.000 0.814 1042 A HN 0.797 nan 8.150 nan 0.000 0.446 1043 D N -1.661 118.650 120.400 -0.149 0.000 2.358 1043 D HA 0.246 4.886 4.640 -0.001 0.000 0.241 1043 D C 1.174 177.444 176.300 -0.049 0.000 1.094 1043 D CA 1.033 54.989 54.000 -0.073 0.000 0.907 1043 D CB -0.821 39.954 40.800 -0.042 0.000 0.893 1043 D HN 0.787 nan 8.370 nan 0.000 0.528 1044 G N -0.874 107.866 108.800 -0.099 0.000 2.253 1044 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.251 1044 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.251 1044 G C 0.656 175.632 174.900 0.128 0.000 0.998 1044 G CA 0.312 45.491 45.100 0.132 0.000 0.621 1044 G HN 0.503 nan 8.290 nan 0.000 0.524 1045 S N -0.796 114.903 115.700 -0.002 0.000 2.587 1045 S HA 0.483 4.953 4.470 -0.001 0.000 0.260 1045 S C 0.367 174.995 174.600 0.046 0.000 1.353 1045 S CA 0.397 58.631 58.200 0.056 0.000 0.995 1045 S CB 1.704 64.923 63.200 0.032 0.000 0.912 1045 S HN 0.861 nan 8.310 nan 0.000 0.568 1046 V N 2.263 122.268 119.914 0.152 0.000 2.769 1046 V HA 0.628 4.747 4.120 -0.001 0.000 0.312 1046 V C -0.276 175.977 176.094 0.267 0.000 1.061 1046 V CA -0.752 61.651 62.300 0.171 0.000 0.931 1046 V CB 1.706 33.616 31.823 0.145 0.000 1.010 1046 V HN 0.753 nan 8.190 nan 0.000 0.433 1047 I N 2.383 123.119 120.570 0.277 0.000 2.910 1047 I HA 0.721 4.890 4.170 -0.001 0.000 0.310 1047 I C -2.710 173.741 176.117 0.557 0.000 1.043 1047 I CA -2.943 58.591 61.300 0.390 0.000 1.053 1047 I CB 2.071 40.258 38.000 0.311 0.000 1.242 1047 I HN 0.358 nan 8.210 nan 0.000 0.452 1048 P HA -0.006 nan 4.420 nan 0.000 0.266 1048 P C -1.003 176.685 177.300 0.647 0.000 1.193 1048 P CA 0.243 63.723 63.100 0.635 0.000 0.770 1048 P CB 0.501 32.435 31.700 0.389 0.000 0.836 1049 W N 2.475 123.938 121.300 0.271 0.000 4.479 1049 W HA 0.150 4.810 4.660 -0.001 0.000 0.605 1049 W C 1.341 177.857 176.519 -0.005 0.000 3.466 1049 W CA -0.090 57.402 57.345 0.245 0.000 1.135 1049 W CB -0.398 29.219 29.460 0.262 0.000 2.121 1049 W HN 0.004 nan 8.180 nan 0.000 0.351 1050 L N 1.841 123.067 121.223 0.005 0.000 2.187 1050 L HA -0.043 4.297 4.340 -0.001 0.000 0.213 1050 L C 1.137 177.956 176.870 -0.084 0.000 1.100 1050 L CA 1.105 55.749 54.840 -0.326 0.000 0.765 1050 L CB -1.043 40.766 42.059 -0.417 0.000 0.904 1050 L HN 0.061 nan 8.230 nan 0.000 0.437 1051 A N -0.398 122.500 122.820 0.130 0.000 2.274 1051 A HA 0.247 4.567 4.320 -0.001 0.000 0.309 1051 A C 0.972 178.758 177.584 0.338 0.000 1.226 1051 A CA -0.475 51.731 52.037 0.281 0.000 0.853 1051 A CB 0.770 20.047 19.000 0.462 0.000 1.146 1051 A HN 0.093 nan 8.150 nan 0.000 0.518 1052 K N 0.716 121.251 120.400 0.225 0.000 2.103 1052 K HA 0.006 4.326 4.320 -0.001 0.000 0.204 1052 K C 0.463 177.167 176.600 0.175 0.000 1.052 1052 K CA 1.472 57.850 56.287 0.151 0.000 0.945 1052 K CB -0.011 32.519 32.500 0.050 0.000 0.722 1052 K HN 0.917 nan 8.250 nan 0.000 0.443 1053 S N -1.554 114.301 115.700 0.259 0.000 2.615 1053 S HA 0.532 5.002 4.470 -0.001 0.000 0.268 1053 S C -1.988 172.789 174.600 0.295 0.000 1.146 1053 S CA -1.248 56.965 58.200 0.021 0.000 0.818 1053 S CB 0.793 63.914 63.200 -0.132 0.000 1.111 1053 S HN 0.358 nan 8.310 nan 0.000 0.465 1054 W N -0.403 120.927 121.300 0.050 0.000 3.146 1054 W HA 0.796 5.456 4.660 -0.001 0.000 0.319 1054 W C -0.908 175.547 176.519 -0.107 0.000 1.258 1054 W CA -0.225 57.049 57.345 -0.119 0.000 1.189 1054 W CB 0.675 29.906 29.460 -0.382 0.000 1.412 1054 W HN 1.098 nan 8.180 nan 0.000 0.567 1055 T N -0.907 113.659 114.554 0.019 0.000 2.778 1055 T HA 0.525 4.874 4.350 -0.001 0.000 0.293 1055 T C -2.128 172.415 174.700 -0.262 0.000 1.144 1055 T CA -0.491 61.562 62.100 -0.079 0.000 1.010 1055 T CB 1.847 70.667 68.868 -0.080 0.000 1.325 1055 T HN 0.863 nan 8.240 nan 0.000 0.515 1056 H N 1.299 120.101 119.070 -0.447 0.000 3.172 1056 H HA 0.463 5.018 4.556 -0.001 0.000 0.322 1056 H C -0.270 174.751 175.328 -0.511 0.000 1.003 1056 H CA -0.402 55.197 56.048 -0.748 0.000 1.466 1056 H CB 1.288 30.767 29.762 -0.471 0.000 1.673 1056 H HN 0.835 nan 8.280 nan 0.000 0.512 1057 S N 2.634 118.121 115.700 -0.355 0.000 2.562 1057 S HA 0.067 4.537 4.470 -0.001 0.000 0.281 1057 S C 1.181 175.647 174.600 -0.223 0.000 1.333 1057 S CA -0.349 57.716 58.200 -0.226 0.000 1.052 1057 S CB 1.338 64.433 63.200 -0.174 0.000 0.884 1057 S HN 0.737 nan 8.310 nan 0.000 0.506 1058 E N 1.043 121.121 120.200 -0.203 0.000 2.274 1058 E HA -0.152 4.198 4.350 -0.001 0.000 0.194 1058 E C 0.973 177.471 176.600 -0.171 0.000 0.996 1058 E CA 0.537 56.793 56.400 -0.240 0.000 0.840 1058 E CB -0.107 29.458 29.700 -0.225 0.000 0.772 1058 E HN 0.800 nan 8.360 nan 0.000 0.491 1059 D N 0.013 120.344 120.400 -0.114 0.000 2.200 1059 D HA -0.215 4.425 4.640 -0.001 0.000 0.192 1059 D C 1.406 177.687 176.300 -0.031 0.000 1.008 1059 D CA 1.950 55.913 54.000 -0.061 0.000 0.872 1059 D CB -0.314 40.454 40.800 -0.054 0.000 0.923 1059 D HN 0.423 nan 8.370 nan 0.000 0.447 1060 G N -0.679 108.078 108.800 -0.072 0.000 2.159 1060 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.256 1060 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.256 1060 G C 1.198 176.175 174.900 0.129 0.000 0.977 1060 G CA 0.774 45.889 45.100 0.023 0.000 0.652 1060 G HN 0.439 nan 8.290 nan 0.000 0.531 1061 K N -0.288 120.126 120.400 0.023 0.000 2.242 1061 K HA 0.141 4.460 4.320 -0.001 0.000 0.200 1061 K C 1.251 177.886 176.600 0.059 0.000 1.050 1061 K CA 1.250 57.579 56.287 0.070 0.000 0.981 1061 K CB 0.405 32.927 32.500 0.038 0.000 0.795 1061 K HN 0.569 nan 8.250 nan 0.000 0.477 1062 T N -1.421 113.093 114.554 -0.066 0.000 2.824 1062 T HA 0.456 4.805 4.350 -0.001 0.000 0.282 1062 T C -1.443 173.157 174.700 -0.166 0.000 0.993 1062 T CA -0.796 61.288 62.100 -0.026 0.000 0.967 1062 T CB 0.837 69.691 68.868 -0.022 0.000 0.960 1062 T HN 0.041 nan 8.240 nan 0.000 0.441 1063 W N 1.840 123.060 121.300 -0.135 0.000 2.702 1063 W HA 0.588 5.248 4.660 -0.001 0.000 0.331 1063 W C -0.363 176.098 176.519 -0.097 0.000 1.049 1063 W CA -0.591 56.656 57.345 -0.164 0.000 1.230 1063 W CB 2.430 31.765 29.460 -0.207 0.000 1.408 1063 W HN 0.625 nan 8.180 nan 0.000 0.492 1064 T N 3.946 118.501 114.554 0.001 0.000 2.815 1064 T HA 0.485 4.834 4.350 -0.001 0.000 0.289 1064 T C -1.102 173.587 174.700 -0.018 0.000 1.000 1064 T CA -0.488 61.640 62.100 0.046 0.000 0.958 1064 T CB 0.146 69.022 68.868 0.014 0.000 0.944 1064 T HN -0.011 nan 8.240 nan 0.000 0.442 1065 F N 1.720 121.823 119.950 0.255 0.000 2.421 1065 F HA 0.406 4.933 4.527 -0.001 0.000 0.337 1065 F C 1.179 177.087 175.800 0.179 0.000 1.105 1065 F CA -0.819 57.355 58.000 0.290 0.000 1.049 1065 F CB 1.413 40.570 39.000 0.262 0.000 1.139 1065 F HN 0.295 nan 8.300 nan 0.000 0.479 1066 T N 5.215 119.960 114.554 0.318 0.000 2.728 1066 T HA 0.425 4.774 4.350 -0.001 0.000 0.296 1066 T C 0.125 174.948 174.700 0.205 0.000 0.940 1066 T CA -0.467 61.752 62.100 0.197 0.000 1.013 1066 T CB 0.116 69.049 68.868 0.109 0.000 0.912 1066 T HN 0.275 nan 8.240 nan 0.000 0.484 1067 L N 3.227 124.529 121.223 0.132 0.000 2.399 1067 L HA 0.449 4.789 4.340 -0.001 0.000 0.266 1067 L C 1.259 178.134 176.870 0.008 0.000 1.114 1067 L CA -1.074 53.820 54.840 0.090 0.000 0.804 1067 L CB 0.592 42.673 42.059 0.036 0.000 1.146 1067 L HN 0.435 nan 8.230 nan 0.000 0.451 1068 R N 1.282 121.745 120.500 -0.063 0.000 2.698 1068 R HA -0.040 4.300 4.340 -0.001 0.000 0.266 1068 R C 0.006 176.237 176.300 -0.115 0.000 1.026 1068 R CA 0.031 56.030 56.100 -0.168 0.000 1.102 1068 R CB 0.381 30.428 30.300 -0.421 0.000 0.978 1068 R HN 0.661 nan 8.270 nan 0.000 0.436 1069 D N -0.060 120.274 120.400 -0.109 0.000 2.398 1069 D HA -0.067 4.572 4.640 -0.001 0.000 0.210 1069 D C 0.366 176.617 176.300 -0.082 0.000 1.094 1069 D CA 0.023 53.975 54.000 -0.080 0.000 0.839 1069 D CB 0.211 40.976 40.800 -0.058 0.000 0.963 1069 D HN 0.548 nan 8.370 nan 0.000 0.506 1070 D N 0.376 120.704 120.400 -0.121 0.000 2.440 1070 D HA 0.022 4.661 4.640 -0.001 0.000 0.216 1070 D C 0.423 176.659 176.300 -0.108 0.000 1.150 1070 D CA -0.528 53.413 54.000 -0.097 0.000 0.832 1070 D CB 0.083 40.833 40.800 -0.084 0.000 0.992 1070 D HN 0.131 nan 8.370 nan 0.000 0.502 1071 V N -0.184 119.635 119.914 -0.157 0.000 2.532 1071 V HA 0.591 4.711 4.120 -0.001 0.000 0.295 1071 V C -1.004 175.051 176.094 -0.064 0.000 1.041 1071 V CA -0.570 61.633 62.300 -0.162 0.000 0.926 1071 V CB 1.848 33.383 31.823 -0.479 0.000 0.992 1071 V HN -0.136 nan 8.190 nan 0.000 0.457 1072 K N 5.027 125.416 120.400 -0.019 0.000 2.259 1072 K HA 0.512 4.831 4.320 -0.001 0.000 0.252 1072 K C -0.668 175.940 176.600 0.014 0.000 0.936 1072 K CA -0.464 55.843 56.287 0.034 0.000 0.810 1072 K CB 1.691 34.245 32.500 0.090 0.000 1.143 1072 K HN 0.699 nan 8.250 nan 0.000 0.427 1073 F N 0.813 120.861 119.950 0.164 0.000 2.539 1073 F HA -0.139 4.387 4.527 -0.001 0.000 0.340 1073 F C 2.099 177.970 175.800 0.119 0.000 1.185 1073 F CA 0.573 58.668 58.000 0.159 0.000 1.333 1073 F CB 0.418 39.513 39.000 0.158 0.000 1.152 1073 F HN 0.631 nan 8.300 nan 0.000 0.602 1074 S N 0.036 115.916 115.700 0.300 0.000 2.469 1074 S HA -0.214 4.255 4.470 -0.001 0.000 0.238 1074 S C 1.672 176.359 174.600 0.146 0.000 0.998 1074 S CA 1.154 59.459 58.200 0.175 0.000 0.957 1074 S CB -0.486 62.791 63.200 0.129 0.000 0.764 1074 S HN 0.707 nan 8.310 nan 0.000 0.514 1075 N N 1.853 120.660 118.700 0.180 0.000 2.348 1075 N HA -0.010 4.730 4.740 -0.001 0.000 0.185 1075 N C 1.564 177.146 175.510 0.121 0.000 1.019 1075 N CA 1.248 54.380 53.050 0.137 0.000 0.880 1075 N CB -0.815 37.761 38.487 0.148 0.000 0.965 1075 N HN 0.748 nan 8.380 nan 0.000 0.437 1076 G N -0.269 108.618 108.800 0.145 0.000 2.253 1076 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.251 1076 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.251 1076 G C 0.041 175.028 174.900 0.145 0.000 0.998 1076 G CA 0.376 45.547 45.100 0.120 0.000 0.621 1076 G HN 0.476 nan 8.290 nan 0.000 0.524 1077 E N 2.435 122.753 120.200 0.197 0.000 2.398 1077 E HA 0.360 4.709 4.350 -0.001 0.000 0.263 1077 E C -2.058 174.748 176.600 0.343 0.000 1.046 1077 E CA -1.083 55.452 56.400 0.225 0.000 0.908 1077 E CB 0.843 30.644 29.700 0.168 0.000 0.963 1077 E HN 0.266 nan 8.360 nan 0.000 0.431 1078 P HA 0.004 nan 4.420 nan 0.000 0.279 1078 P C -0.971 176.478 177.300 0.249 0.000 1.239 1078 P CA -0.135 63.069 63.100 0.174 0.000 0.789 1078 P CB 0.354 32.098 31.700 0.074 0.000 0.933 1079 F N 3.227 123.103 119.950 -0.123 0.000 2.421 1079 F HA 0.356 4.883 4.527 -0.000 0.000 0.358 1079 F C -0.265 175.453 175.800 -0.136 0.000 1.115 1079 F CA 0.284 58.124 58.000 -0.267 0.000 1.160 1079 F CB 0.287 38.913 39.000 -0.624 0.000 1.123 1079 F HN 0.224 nan 8.300 nan 0.000 0.508 1080 D N 3.156 123.129 120.400 -0.711 0.000 2.547 1080 D HA 0.548 5.188 4.640 -0.001 0.000 0.231 1080 D C 0.375 176.304 176.300 -0.618 0.000 1.099 1080 D CA -0.126 53.612 54.000 -0.438 0.000 0.901 1080 D CB 2.168 42.851 40.800 -0.195 0.000 1.478 1080 D HN 0.534 nan 8.370 nan 0.000 0.471 1081 A N 0.807 123.407 122.820 -0.366 0.000 1.969 1081 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 1081 A C 1.772 179.261 177.584 -0.158 0.000 1.169 1081 A CA 1.177 53.056 52.037 -0.265 0.000 0.635 1081 A CB -0.311 18.617 19.000 -0.121 0.000 0.810 1081 A HN 0.565 nan 8.150 nan 0.000 0.445 1082 E N 0.106 120.234 120.200 -0.120 0.000 2.051 1082 E HA -0.166 4.184 4.350 -0.001 0.000 0.192 1082 E C 2.363 178.950 176.600 -0.022 0.000 0.991 1082 E CA 1.240 57.612 56.400 -0.046 0.000 0.799 1082 E CB -0.396 29.281 29.700 -0.038 0.000 0.748 1082 E HN 0.531 nan 8.360 nan 0.000 0.449 1083 A N 1.188 123.963 122.820 -0.075 0.000 1.908 1083 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 1083 A C 2.390 180.057 177.584 0.138 0.000 1.181 1083 A CA 2.249 54.305 52.037 0.031 0.000 0.627 1083 A CB -0.566 18.527 19.000 0.154 0.000 0.818 1083 A HN 0.305 nan 8.150 nan 0.000 0.445 1084 A N -0.263 122.519 122.820 -0.064 0.000 1.898 1084 A HA 0.213 4.533 4.320 -0.001 0.000 0.216 1084 A C 2.518 180.418 177.584 0.525 0.000 1.181 1084 A CA 1.961 54.081 52.037 0.139 0.000 0.620 1084 A CB -1.037 17.849 19.000 -0.189 0.000 0.819 1084 A HN 1.069 nan 8.150 nan 0.000 0.442 1085 A N -0.471 122.538 122.820 0.315 0.000 1.902 1085 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 1085 A C 1.967 179.767 177.584 0.361 0.000 1.181 1085 A CA 1.721 53.954 52.037 0.327 0.000 0.623 1085 A CB -0.442 18.649 19.000 0.151 0.000 0.818 1085 A HN 0.465 nan 8.150 nan 0.000 0.443 1086 E N 0.211 120.597 120.200 0.310 0.000 2.077 1086 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 1086 E C 1.820 178.763 176.600 0.571 0.000 0.989 1086 E CA 1.502 58.127 56.400 0.374 0.000 0.800 1086 E CB -0.467 29.364 29.700 0.219 0.000 0.746 1086 E HN 0.709 nan 8.360 nan 0.000 0.452 1087 N N -0.065 118.996 118.700 0.601 0.000 2.120 1087 N HA -0.127 4.613 4.740 -0.001 0.000 0.188 1087 N C 1.661 177.229 175.510 0.096 0.000 1.024 1087 N CA 1.070 54.410 53.050 0.484 0.000 0.852 1087 N CB -0.331 38.504 38.487 0.579 0.000 1.003 1087 N HN 0.071 nan 8.380 nan 0.000 0.424 1088 F N 0.821 120.916 119.950 0.241 0.000 2.171 1088 F HA -0.033 4.494 4.527 -0.001 0.000 0.300 1088 F C 2.487 178.331 175.800 0.074 0.000 1.090 1088 F CA 0.910 58.996 58.000 0.143 0.000 1.293 1088 F CB -0.177 38.914 39.000 0.152 0.000 1.013 1088 F HN -0.007 nan 8.300 nan 0.000 0.486 1089 R N 0.578 121.252 120.500 0.290 0.000 2.081 1089 R HA -0.162 4.178 4.340 -0.001 0.000 0.235 1089 R C 2.321 178.665 176.300 0.073 0.000 1.131 1089 R CA 1.364 57.571 56.100 0.178 0.000 0.960 1089 R CB -0.499 29.919 30.300 0.198 0.000 0.856 1089 R HN 0.252 nan 8.270 nan 0.000 0.436 1090 A N 0.209 123.035 122.820 0.009 0.000 1.933 1090 A HA -0.084 4.236 4.320 -0.001 0.000 0.218 1090 A C 2.227 179.679 177.584 -0.220 0.000 1.175 1090 A CA 1.471 53.398 52.037 -0.183 0.000 0.628 1090 A CB -0.370 18.319 19.000 -0.518 0.000 0.814 1090 A HN 0.241 nan 8.150 nan 0.000 0.444 1091 V N -0.198 119.517 119.914 -0.332 0.000 2.379 1091 V HA -0.186 3.934 4.120 -0.001 0.000 0.245 1091 V C 2.462 178.518 176.094 -0.064 0.000 1.044 1091 V CA 1.779 63.864 62.300 -0.358 0.000 1.036 1091 V CB -0.599 30.861 31.823 -0.605 0.000 0.664 1091 V HN 0.562 nan 8.190 nan 0.000 0.453 1092 L N -0.319 120.915 121.223 0.018 0.000 2.291 1092 L HA -0.095 4.245 4.340 -0.001 0.000 0.214 1092 L C 2.080 178.992 176.870 0.071 0.000 1.120 1092 L CA 0.878 55.771 54.840 0.088 0.000 0.799 1092 L CB -0.581 41.554 42.059 0.127 0.000 0.925 1092 L HN 0.311 nan 8.230 nan 0.000 0.446 1093 D N -0.019 120.407 120.400 0.043 0.000 2.311 1093 D HA -0.188 4.452 4.640 -0.001 0.000 0.212 1093 D C 1.221 177.540 176.300 0.032 0.000 0.972 1093 D CA 1.074 55.093 54.000 0.032 0.000 0.887 1093 D CB -0.177 40.630 40.800 0.012 0.000 0.915 1093 D HN 0.324 nan 8.370 nan 0.000 0.497 1094 N N 0.239 118.972 118.700 0.056 0.000 2.541 1094 N HA 0.062 4.802 4.740 -0.001 0.000 0.297 1094 N C 1.125 176.673 175.510 0.062 0.000 1.503 1094 N CA -0.242 52.833 53.050 0.041 0.000 0.919 1094 N CB 0.299 38.802 38.487 0.027 0.000 1.305 1094 N HN -0.062 nan 8.380 nan 0.000 0.501 1095 R N 0.443 120.990 120.500 0.078 0.000 2.096 1095 R HA -0.163 4.176 4.340 -0.001 0.000 0.235 1095 R C 1.337 177.655 176.300 0.031 0.000 1.127 1095 R CA 1.762 57.919 56.100 0.095 0.000 0.968 1095 R CB 0.277 30.615 30.300 0.064 0.000 0.861 1095 R HN 0.367 nan 8.270 nan 0.000 0.440 1096 Q N 0.274 120.067 119.800 -0.010 0.000 2.062 1096 Q HA -0.204 4.136 4.340 -0.001 0.000 0.209 1096 Q C 1.909 177.868 176.000 -0.069 0.000 0.996 1096 Q CA 1.494 57.275 55.803 -0.036 0.000 0.859 1096 Q CB -0.643 28.071 28.738 -0.040 0.000 0.920 1096 Q HN 0.161 nan 8.270 nan 0.000 0.415 1097 R N -0.117 120.287 120.500 -0.161 0.000 2.285 1097 R HA -0.080 4.260 4.340 -0.001 0.000 0.213 1097 R C 0.766 176.909 176.300 -0.263 0.000 1.068 1097 R CA 0.876 56.821 56.100 -0.257 0.000 1.004 1097 R CB 0.037 30.141 30.300 -0.327 0.000 0.873 1097 R HN 0.529 nan 8.270 nan 0.000 0.467 1098 H N -1.767 117.330 119.070 0.044 0.000 2.594 1098 H HA 0.233 4.789 4.556 -0.001 0.000 0.279 1098 H C 1.462 176.655 175.328 -0.225 0.000 1.042 1098 H CA 0.340 56.341 56.048 -0.078 0.000 1.177 1098 H CB 0.619 30.303 29.762 -0.129 0.000 1.524 1098 H HN 0.118 nan 8.280 nan 0.000 0.537 1099 A N 2.160 124.990 122.820 0.016 0.000 2.076 1099 A HA -0.162 4.158 4.320 -0.001 0.000 0.220 1099 A C 2.195 179.804 177.584 0.043 0.000 1.160 1099 A CA 1.173 53.213 52.037 0.005 0.000 0.653 1099 A CB -1.069 17.937 19.000 0.010 0.000 0.801 1099 A HN 0.713 nan 8.150 nan 0.000 0.455 1100 W N -0.998 120.357 121.300 0.092 0.000 2.374 1100 W HA 0.086 4.745 4.660 -0.001 0.000 0.288 1100 W C 0.347 176.987 176.519 0.202 0.000 1.218 1100 W CA 0.288 57.731 57.345 0.163 0.000 1.245 1100 W CB -0.655 28.903 29.460 0.162 0.000 1.126 1100 W HN 0.167 nan 8.180 nan 0.000 0.545 1101 L N 3.064 123.713 121.223 -0.957 0.000 2.262 1101 L HA 0.094 4.433 4.340 -0.001 0.000 0.288 1101 L C 1.455 178.108 176.870 -0.361 0.000 1.035 1101 L CA 0.074 54.323 54.840 -0.985 0.000 0.820 1101 L CB 1.550 42.644 42.059 -1.609 0.000 1.204 1101 L HN -0.122 nan 8.230 nan 0.000 0.424 1102 E N 3.533 123.652 120.200 -0.134 0.000 2.150 1102 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 1102 E C 1.833 178.215 176.600 -0.364 0.000 0.985 1102 E CA 1.181 57.488 56.400 -0.155 0.000 0.814 1102 E CB 0.032 29.734 29.700 0.003 0.000 0.752 1102 E HN 0.735 nan 8.360 nan 0.000 0.466 1103 L N 0.014 121.013 121.223 -0.373 0.000 2.064 1103 L HA -0.304 4.036 4.340 -0.001 0.000 0.216 1103 L C 2.167 178.978 176.870 -0.099 0.000 1.077 1103 L CA 1.985 56.639 54.840 -0.309 0.000 0.766 1103 L CB -0.724 41.309 42.059 -0.043 0.000 0.890 1103 L HN 0.345 nan 8.230 nan 0.000 0.435 1104 A N -0.555 122.295 122.820 0.050 0.000 2.019 1104 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 1104 A C 1.770 179.369 177.584 0.026 0.000 1.164 1104 A CA 1.696 53.813 52.037 0.134 0.000 0.644 1104 A CB -0.443 18.598 19.000 0.069 0.000 0.805 1104 A HN 0.572 nan 8.150 nan 0.000 0.449 1105 N N -0.558 118.109 118.700 -0.055 0.000 2.415 1105 N HA -0.042 4.697 4.740 -0.001 0.000 0.176 1105 N C 1.525 176.990 175.510 -0.075 0.000 1.042 1105 N CA 0.652 53.670 53.050 -0.053 0.000 0.902 1105 N CB -0.136 38.317 38.487 -0.057 0.000 0.986 1105 N HN 0.438 nan 8.380 nan 0.000 0.447 1106 Q N 0.345 120.057 119.800 -0.147 0.000 2.331 1106 Q HA 0.173 4.513 4.340 -0.001 0.000 0.203 1106 Q C 0.445 176.399 176.000 -0.077 0.000 0.944 1106 Q CA 0.164 55.879 55.803 -0.147 0.000 0.892 1106 Q CB 0.558 29.113 28.738 -0.304 0.000 0.983 1106 Q HN 0.385 nan 8.270 nan 0.000 0.482 1107 I N 0.947 121.485 120.570 -0.053 0.000 2.416 1107 I HA -0.029 4.141 4.170 -0.001 0.000 0.288 1107 I C 1.285 177.398 176.117 -0.008 0.000 1.051 1107 I CA -0.263 61.017 61.300 -0.035 0.000 1.375 1107 I CB 1.396 39.381 38.000 -0.025 0.000 1.407 1107 I HN -0.200 nan 8.210 nan 0.000 0.516 1108 V N 4.284 124.192 119.914 -0.009 0.000 2.426 1108 V HA 0.047 4.166 4.120 -0.001 0.000 0.242 1108 V C 0.262 176.362 176.094 0.009 0.000 1.036 1108 V CA 1.237 63.539 62.300 0.004 0.000 1.044 1108 V CB -0.313 31.514 31.823 0.005 0.000 0.688 1108 V HN 0.816 nan 8.190 nan 0.000 0.462 1109 D N -2.390 118.010 120.400 0.000 0.000 2.648 1109 D HA 0.497 5.137 4.640 -0.001 0.000 0.244 1109 D C -1.652 174.634 176.300 -0.023 0.000 1.244 1109 D CA -0.132 53.870 54.000 0.004 0.000 0.772 1109 D CB 2.499 43.306 40.800 0.012 0.000 1.379 1109 D HN -0.134 nan 8.370 nan 0.000 0.428 1110 V N 2.273 122.177 119.914 -0.017 0.000 2.577 1110 V HA 0.536 4.656 4.120 -0.001 0.000 0.303 1110 V C -0.524 175.569 176.094 -0.001 0.000 1.042 1110 V CA -0.716 61.545 62.300 -0.065 0.000 0.872 1110 V CB 1.833 33.553 31.823 -0.172 0.000 0.998 1110 V HN 0.398 nan 8.190 nan 0.000 0.423 1111 K N 2.732 123.133 120.400 0.003 0.000 2.378 1111 K HA 0.789 5.108 4.320 -0.001 0.000 0.252 1111 K C -0.499 176.117 176.600 0.027 0.000 0.931 1111 K CA -0.647 55.654 56.287 0.023 0.000 0.794 1111 K CB 2.640 35.153 32.500 0.022 0.000 1.181 1111 K HN 0.786 nan 8.250 nan 0.000 0.425 1112 A N 4.280 127.115 122.820 0.025 0.000 2.310 1112 A HA 0.248 4.568 4.320 -0.001 0.000 0.300 1112 A C 0.721 178.311 177.584 0.010 0.000 1.269 1112 A CA -0.346 51.698 52.037 0.011 0.000 0.909 1112 A CB -0.242 18.756 19.000 -0.003 0.000 1.144 1112 A HN 0.816 nan 8.150 nan 0.000 0.540 1113 L N 2.110 123.342 121.223 0.015 0.000 2.567 1113 L HA 0.113 4.453 4.340 -0.001 0.000 0.225 1113 L C 1.059 177.931 176.870 0.004 0.000 1.119 1113 L CA 0.868 55.715 54.840 0.012 0.000 0.871 1113 L CB -0.417 41.654 42.059 0.020 0.000 1.036 1113 L HN 0.908 nan 8.230 nan 0.000 0.459 1114 S N -2.776 112.922 115.700 -0.003 0.000 2.761 1114 S HA 0.194 4.664 4.470 -0.001 0.000 0.290 1114 S C 0.205 174.787 174.600 -0.030 0.000 1.222 1114 S CA -0.812 57.380 58.200 -0.013 0.000 0.954 1114 S CB 1.605 64.799 63.200 -0.009 0.000 1.281 1114 S HN -0.162 nan 8.310 nan 0.000 0.527 1115 K N 0.617 120.994 120.400 -0.038 0.000 2.211 1115 K HA 0.045 4.364 4.320 -0.001 0.000 0.203 1115 K C 1.641 178.191 176.600 -0.083 0.000 1.050 1115 K CA 1.803 58.053 56.287 -0.063 0.000 0.945 1115 K CB -0.261 32.207 32.500 -0.053 0.000 0.732 1115 K HN 0.768 nan 8.250 nan 0.000 0.451 1116 T N -3.221 111.303 114.554 -0.049 0.000 3.003 1116 T HA 0.122 4.472 4.350 -0.001 0.000 0.261 1116 T C 0.168 174.873 174.700 0.009 0.000 1.003 1116 T CA -0.520 61.559 62.100 -0.035 0.000 0.917 1116 T CB 0.333 69.189 68.868 -0.018 0.000 1.084 1116 T HN 0.019 nan 8.240 nan 0.000 0.522 1117 E N 0.983 121.191 120.200 0.015 0.000 2.113 1117 E HA 0.538 4.887 4.350 -0.001 0.000 0.273 1117 E C -1.643 174.997 176.600 0.067 0.000 0.924 1117 E CA -0.918 55.516 56.400 0.056 0.000 0.764 1117 E CB 1.035 30.760 29.700 0.042 0.000 1.104 1117 E HN 0.270 nan 8.360 nan 0.000 0.406 1118 L N 4.353 125.657 121.223 0.136 0.000 2.325 1118 L HA 0.381 4.721 4.340 -0.001 0.000 0.281 1118 L C -1.162 175.845 176.870 0.227 0.000 1.004 1118 L CA -0.243 54.684 54.840 0.144 0.000 0.823 1118 L CB 1.733 43.870 42.059 0.129 0.000 1.236 1118 L HN 0.608 nan 8.230 nan 0.000 0.415 1119 Q N 4.771 124.654 119.800 0.139 0.000 2.333 1119 Q HA 0.650 4.990 4.340 -0.001 0.000 0.267 1119 Q C -1.596 174.462 176.000 0.097 0.000 1.012 1119 Q CA -0.521 55.370 55.803 0.145 0.000 0.824 1119 Q CB 1.714 30.500 28.738 0.080 0.000 1.290 1119 Q HN 0.714 nan 8.270 nan 0.000 0.449 1120 I N 3.169 123.832 120.570 0.155 0.000 2.436 1120 I HA 0.348 4.518 4.170 -0.001 0.000 0.289 1120 I C -0.298 175.859 176.117 0.068 0.000 1.010 1120 I CA -0.838 60.492 61.300 0.051 0.000 1.098 1120 I CB 2.103 40.147 38.000 0.073 0.000 1.266 1120 I HN 0.623 nan 8.210 nan 0.000 0.434 1121 T N 5.052 119.615 114.554 0.015 0.000 2.794 1121 T HA 0.732 5.081 4.350 -0.001 0.000 0.280 1121 T C -0.442 174.255 174.700 -0.005 0.000 0.987 1121 T CA -0.733 61.380 62.100 0.020 0.000 0.993 1121 T CB 1.484 70.361 68.868 0.014 0.000 0.939 1121 T HN 0.313 nan 8.240 nan 0.000 0.449 1122 L N 2.437 123.663 121.223 0.004 0.000 2.334 1122 L HA 0.518 4.858 4.340 -0.001 0.000 0.270 1122 L C 1.683 178.564 176.870 0.019 0.000 1.018 1122 L CA -1.211 53.622 54.840 -0.012 0.000 0.811 1122 L CB 1.631 43.676 42.059 -0.024 0.000 1.271 1122 L HN 0.689 nan 8.230 nan 0.000 0.443 1123 K N 0.215 120.623 120.400 0.012 0.000 2.148 1123 K HA -0.039 4.281 4.320 -0.001 0.000 0.204 1123 K C 0.498 177.130 176.600 0.053 0.000 1.050 1123 K CA 0.933 57.235 56.287 0.025 0.000 0.942 1123 K CB 0.249 32.757 32.500 0.013 0.000 0.724 1123 K HN 0.771 nan 8.250 nan 0.000 0.446 1124 S N -2.170 113.581 115.700 0.084 0.000 2.671 1124 S HA 0.507 4.977 4.470 -0.001 0.000 0.277 1124 S C -0.952 173.760 174.600 0.187 0.000 1.165 1124 S CA -0.900 57.375 58.200 0.126 0.000 0.822 1124 S CB 1.740 65.023 63.200 0.138 0.000 1.150 1124 S HN 0.028 nan 8.310 nan 0.000 0.479 1125 A N 1.247 124.206 122.820 0.231 0.000 3.037 1125 A HA 0.359 4.679 4.320 -0.001 0.000 0.272 1125 A C -0.369 177.456 177.584 0.402 0.000 1.723 1125 A CA -0.265 51.984 52.037 0.353 0.000 1.413 1125 A CB -1.573 17.669 19.000 0.402 0.000 1.112 1125 A HN 0.785 nan 8.150 nan 0.000 0.606 1126 Y N 2.606 123.019 120.300 0.187 0.000 2.697 1126 Y HA 0.108 4.658 4.550 -0.001 0.000 0.349 1126 Y C 1.090 177.087 175.900 0.161 0.000 1.120 1126 Y CA -0.122 58.044 58.100 0.109 0.000 1.468 1126 Y CB -0.004 38.480 38.460 0.040 0.000 1.182 1126 Y HN 0.708 nan 8.280 nan 0.000 0.525 1127 Y N 6.720 126.805 120.300 -0.357 0.000 2.242 1127 Y HA 0.127 4.676 4.550 -0.001 0.000 0.291 1127 Y C -1.312 174.420 175.900 -0.279 0.000 1.137 1127 Y CA 0.064 58.009 58.100 -0.259 0.000 1.181 1127 Y CB -1.673 36.504 38.460 -0.471 0.000 0.989 1127 Y HN 0.408 nan 8.280 nan 0.000 0.527 1128 P HA 0.044 nan 4.420 nan 0.000 0.255 1128 P C 1.075 178.211 177.300 -0.274 0.000 1.427 1128 P CA 0.145 62.726 63.100 -0.863 0.000 0.863 1128 P CB -0.887 29.916 31.700 -1.495 0.000 1.444 1129 F N 1.092 120.892 119.950 -0.250 0.000 2.043 1129 F HA -0.298 4.229 4.527 -0.001 0.000 0.297 1129 F C 1.785 177.430 175.800 -0.260 0.000 1.118 1129 F CA 1.717 59.605 58.000 -0.186 0.000 1.202 1129 F CB -0.436 38.270 39.000 -0.491 0.000 0.965 1129 F HN -0.185 nan 8.300 nan 0.000 0.482 1130 L N -0.187 120.776 121.223 -0.432 0.000 2.056 1130 L HA -0.241 4.099 4.340 -0.001 0.000 0.207 1130 L C 2.588 179.286 176.870 -0.287 0.000 1.078 1130 L CA 1.479 56.020 54.840 -0.498 0.000 0.749 1130 L CB -0.877 41.011 42.059 -0.285 0.000 0.901 1130 L HN 0.288 nan 8.230 nan 0.000 0.433 1131 Q N -0.167 119.539 119.800 -0.155 0.000 2.124 1131 Q HA -0.232 4.107 4.340 -0.001 0.000 0.202 1131 Q C 2.081 178.008 176.000 -0.121 0.000 0.977 1131 Q CA 1.587 57.332 55.803 -0.097 0.000 0.850 1131 Q CB 0.024 28.705 28.738 -0.096 0.000 0.901 1131 Q HN 0.549 nan 8.270 nan 0.000 0.429 1132 E N 0.171 120.318 120.200 -0.089 0.000 2.152 1132 E HA -0.108 4.242 4.350 -0.001 0.000 0.192 1132 E C 1.998 178.591 176.600 -0.012 0.000 0.983 1132 E CA 0.409 56.810 56.400 0.003 0.000 0.818 1132 E CB 0.049 29.836 29.700 0.145 0.000 0.758 1132 E HN 0.333 nan 8.360 nan 0.000 0.467 1133 L N 0.650 121.752 121.223 -0.201 0.000 2.131 1133 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 1133 L C 2.446 179.266 176.870 -0.083 0.000 1.092 1133 L CA 0.872 55.591 54.840 -0.202 0.000 0.759 1133 L CB -0.339 41.437 42.059 -0.472 0.000 0.903 1133 L HN 0.141 nan 8.230 nan 0.000 0.435 1134 A N -0.295 122.466 122.820 -0.097 0.000 2.119 1134 A HA 0.063 4.382 4.320 -0.001 0.000 0.217 1134 A C 1.192 178.748 177.584 -0.047 0.000 1.153 1134 A CA 0.126 52.132 52.037 -0.051 0.000 0.692 1134 A CB -0.450 18.545 19.000 -0.009 0.000 0.799 1134 A HN 0.252 nan 8.150 nan 0.000 0.458 1135 L N -0.378 120.814 121.223 -0.053 0.000 2.499 1135 L HA 0.050 4.390 4.340 -0.001 0.000 0.281 1135 L C -1.252 175.621 176.870 0.006 0.000 1.234 1135 L CA -1.351 53.468 54.840 -0.034 0.000 0.839 1135 L CB 0.011 42.082 42.059 0.020 0.000 1.104 1135 L HN 0.062 nan 8.230 nan 0.000 0.500 1136 P HA -0.151 nan 4.420 nan 0.000 0.217 1136 P C -0.572 176.706 177.300 -0.037 0.000 1.151 1136 P CA 1.547 64.658 63.100 0.019 0.000 0.849 1136 P CB 0.181 31.905 31.700 0.040 0.000 0.787 1137 R N -3.312 117.164 120.500 -0.040 0.000 2.692 1137 R HA 0.446 4.785 4.340 -0.001 0.000 0.269 1137 R C -2.772 173.432 176.300 -0.160 0.000 1.030 1137 R CA -1.525 54.469 56.100 -0.176 0.000 0.882 1137 R CB -0.142 29.989 30.300 -0.281 0.000 1.250 1137 R HN -0.256 nan 8.270 nan 0.000 0.465 1138 P HA 0.171 nan 4.420 nan 0.000 0.275 1138 P C -0.514 176.346 177.300 -0.734 0.000 1.310 1138 P CA 0.059 62.777 63.100 -0.637 0.000 0.904 1138 P CB 0.317 31.476 31.700 -0.900 0.000 1.381 1139 F N 1.215 120.920 119.950 -0.409 0.000 2.833 1139 F HA 0.274 4.800 4.527 -0.001 0.000 0.327 1139 F C 1.332 176.652 175.800 -0.800 0.000 1.184 1139 F CA -0.398 57.214 58.000 -0.647 0.000 1.328 1139 F CB 0.001 38.729 39.000 -0.454 0.000 1.440 1139 F HN -0.286 nan 8.300 nan 0.000 0.569 1140 R N -0.358 119.770 120.500 -0.620 0.000 2.939 1140 R HA 0.630 4.970 4.340 -0.001 0.000 0.254 1140 R C -1.416 174.441 176.300 -0.740 0.000 1.123 1140 R CA -1.044 54.650 56.100 -0.676 0.000 1.020 1140 R CB 1.688 31.885 30.300 -0.172 0.000 1.206 1140 R HN -0.009 nan 8.270 nan 0.000 0.491 1141 F N 1.098 121.182 119.950 0.223 0.000 2.445 1141 F HA 0.467 4.994 4.527 -0.001 0.000 0.348 1141 F C 0.175 176.323 175.800 0.580 0.000 1.125 1141 F CA -0.616 57.623 58.000 0.399 0.000 0.983 1141 F CB 1.207 40.532 39.000 0.543 0.000 1.198 1141 F HN 0.203 nan 8.300 nan 0.000 0.436 1142 I N 2.495 123.340 120.570 0.459 0.000 2.566 1142 I HA 0.711 4.880 4.170 -0.001 0.000 0.303 1142 I C 0.097 176.227 176.117 0.022 0.000 0.983 1142 I CA -0.824 60.709 61.300 0.387 0.000 1.235 1142 I CB 1.333 39.403 38.000 0.116 0.000 1.386 1142 I HN 0.707 nan 8.210 nan 0.000 0.494 1143 A N 7.714 130.165 122.820 -0.616 0.000 2.524 1143 A HA 0.246 4.565 4.320 -0.001 0.000 0.250 1143 A C -1.915 175.322 177.584 -0.578 0.000 1.078 1143 A CA -0.853 50.436 52.037 -1.245 0.000 0.761 1143 A CB -0.398 18.002 19.000 -0.999 0.000 1.012 1143 A HN 0.651 nan 8.150 nan 0.000 0.500 1144 P HA -0.182 nan 4.420 nan 0.000 0.219 1144 P C 1.668 178.565 177.300 -0.671 0.000 1.146 1144 P CA 1.766 64.252 63.100 -1.022 0.000 0.808 1144 P CB 0.003 31.258 31.700 -0.740 0.000 0.779 1145 S N -0.930 114.546 115.700 -0.372 0.000 2.440 1145 S HA -0.201 4.268 4.470 -0.001 0.000 0.240 1145 S C 1.597 176.130 174.600 -0.112 0.000 1.014 1145 S CA 1.048 59.130 58.200 -0.197 0.000 0.980 1145 S CB -0.958 62.156 63.200 -0.143 0.000 0.775 1145 S HN 0.164 nan 8.310 nan 0.000 0.499 1146 Q N 0.115 119.861 119.800 -0.090 0.000 2.319 1146 Q HA 0.395 4.734 4.340 -0.001 0.000 0.202 1146 Q C -0.001 176.119 176.000 0.201 0.000 0.896 1146 Q CA -0.262 55.563 55.803 0.037 0.000 0.942 1146 Q CB -0.200 28.555 28.738 0.028 0.000 1.083 1146 Q HN 0.647 nan 8.270 nan 0.000 0.510 1147 F N 1.529 121.456 119.950 -0.038 0.000 2.539 1147 F HA 0.035 4.562 4.527 -0.001 0.000 0.340 1147 F C 1.238 177.007 175.800 -0.051 0.000 1.185 1147 F CA -0.023 57.963 58.000 -0.023 0.000 1.333 1147 F CB 0.649 39.657 39.000 0.013 0.000 1.152 1147 F HN -0.336 nan 8.300 nan 0.000 0.602 1148 K N 2.222 122.693 120.400 0.117 0.000 2.316 1148 K HA 0.050 4.369 4.320 -0.001 0.000 0.267 1148 K C -0.260 176.322 176.600 -0.030 0.000 1.025 1148 K CA -0.343 55.954 56.287 0.016 0.000 0.896 1148 K CB 0.864 33.359 32.500 -0.008 0.000 1.124 1148 K HN 0.712 nan 8.250 nan 0.000 0.451 1149 N N 3.885 122.507 118.700 -0.131 0.000 2.688 1149 N HA -0.230 4.509 4.740 -0.001 0.000 0.258 1149 N C -0.580 174.791 175.510 -0.233 0.000 1.016 1149 N CA 0.282 53.154 53.050 -0.297 0.000 0.747 1149 N CB -0.636 37.776 38.487 -0.124 0.000 0.895 1149 N HN 0.853 nan 8.380 nan 0.000 0.543 1150 H N -2.985 116.192 119.070 0.179 0.000 3.047 1150 H HA -0.154 4.401 4.556 -0.001 0.000 0.263 1150 H C -0.271 175.158 175.328 0.168 0.000 1.168 1150 H CA 1.678 57.881 56.048 0.258 0.000 1.152 1150 H CB -1.220 28.640 29.762 0.164 0.000 1.278 1150 H HN 0.603 nan 8.280 nan 0.000 0.339 1151 E N -0.423 119.815 120.200 0.063 0.000 2.410 1151 E HA 0.447 4.797 4.350 -0.001 0.000 0.269 1151 E C 1.239 177.611 176.600 -0.380 0.000 0.937 1151 E CA 0.197 56.491 56.400 -0.177 0.000 0.793 1151 E CB 1.430 31.090 29.700 -0.067 0.000 1.314 1151 E HN 0.203 nan 8.360 nan 0.000 0.447 1152 T N -3.473 110.845 114.554 -0.394 0.000 2.959 1152 T HA 0.045 4.395 4.350 -0.001 0.000 0.254 1152 T C 1.631 176.261 174.700 -0.117 0.000 1.003 1152 T CA 0.094 62.039 62.100 -0.259 0.000 0.950 1152 T CB -0.092 68.647 68.868 -0.216 0.000 1.090 1152 T HN 0.481 nan 8.240 nan 0.000 0.503 1153 M N 0.890 120.437 119.600 -0.089 0.000 2.476 1153 M HA 0.240 4.719 4.480 -0.001 0.000 0.262 1153 M C 0.543 176.819 176.300 -0.040 0.000 1.079 1153 M CA 1.084 56.358 55.300 -0.043 0.000 1.104 1153 M CB -0.542 32.041 32.600 -0.029 0.000 1.409 1153 M HN -0.027 nan 8.290 nan 0.000 0.467 1154 N N 1.465 120.138 118.700 -0.046 0.000 2.238 1154 N HA 0.379 5.118 4.740 -0.001 0.000 0.222 1154 N C 0.343 175.831 175.510 -0.037 0.000 1.133 1154 N CA 0.810 53.839 53.050 -0.035 0.000 0.854 1154 N CB 1.243 39.715 38.487 -0.026 0.000 1.041 1154 N HN 0.600 nan 8.380 nan 0.000 0.510 1155 G N 1.038 109.809 108.800 -0.049 0.000 2.423 1155 G HA2 0.006 3.965 3.960 -0.001 0.000 0.684 1155 G HA3 0.006 3.965 3.960 -0.001 0.000 0.684 1155 G C -1.047 173.826 174.900 -0.044 0.000 1.309 1155 G CA -0.696 44.377 45.100 -0.046 0.000 0.950 1155 G HN 0.199 nan 8.290 nan 0.000 0.587 1156 I N -2.871 117.680 120.570 -0.031 0.000 3.239 1156 I HA 0.782 4.952 4.170 -0.001 0.000 0.314 1156 I C 0.826 176.948 176.117 0.007 0.000 1.126 1156 I CA -1.388 59.910 61.300 -0.002 0.000 0.973 1156 I CB 1.822 39.815 38.000 -0.012 0.000 1.252 1156 I HN 0.642 nan 8.210 nan 0.000 0.463 1157 K N 1.484 121.898 120.400 0.024 0.000 2.074 1157 K HA 0.497 4.817 4.320 -0.001 0.000 0.214 1157 K C 0.419 177.025 176.600 0.011 0.000 1.029 1157 K CA 0.525 56.819 56.287 0.012 0.000 0.966 1157 K CB -0.212 32.296 32.500 0.013 0.000 0.945 1157 K HN 0.742 nan 8.250 nan 0.000 0.453 1158 A N 2.171 125.002 122.820 0.018 0.000 2.324 1158 A HA 0.347 4.667 4.320 -0.001 0.000 0.330 1158 A C -2.426 175.189 177.584 0.052 0.000 1.165 1158 A CA -1.635 50.413 52.037 0.019 0.000 0.813 1158 A CB 0.553 19.559 19.000 0.010 0.000 1.197 1158 A HN 0.181 nan 8.150 nan 0.000 0.484 1159 P HA 0.131 nan 4.420 nan 0.000 0.230 1159 P C -0.695 176.673 177.300 0.113 0.000 1.791 1159 P CA 0.140 63.328 63.100 0.146 0.000 1.020 1159 P CB -0.391 31.364 31.700 0.091 0.000 1.977 1160 I N 1.636 122.300 120.570 0.156 0.000 2.301 1160 I HA 0.335 4.505 4.170 -0.001 0.000 0.292 1160 I C 1.255 177.571 176.117 0.332 0.000 1.046 1160 I CA -0.039 61.352 61.300 0.151 0.000 1.282 1160 I CB 0.587 38.637 38.000 0.083 0.000 1.409 1160 I HN 0.146 nan 8.210 nan 0.000 0.484 1161 G N 3.885 112.819 108.800 0.224 0.000 3.075 1161 G HA2 0.506 4.466 3.960 -0.001 0.000 0.253 1161 G HA3 0.506 4.466 3.960 -0.001 0.000 0.253 1161 G C 0.490 175.619 174.900 0.382 0.000 1.353 1161 G CA -0.002 45.322 45.100 0.373 0.000 1.051 1161 G HN 0.501 nan 8.290 nan 0.000 0.553 1162 T N -2.762 111.948 114.554 0.259 0.000 3.054 1162 T HA 0.376 4.726 4.350 -0.001 0.000 0.255 1162 T C 1.154 176.031 174.700 0.296 0.000 1.035 1162 T CA 0.580 62.779 62.100 0.166 0.000 0.941 1162 T CB 0.296 69.133 68.868 -0.052 0.000 1.026 1162 T HN 0.749 nan 8.240 nan 0.000 0.533 1163 G N 2.484 111.387 108.800 0.172 0.000 2.616 1163 G HA2 0.458 4.418 3.960 -0.001 0.000 0.268 1163 G HA3 0.458 4.418 3.960 -0.001 0.000 0.268 1163 G C -1.379 173.304 174.900 -0.361 0.000 1.213 1163 G CA -1.433 43.687 45.100 0.034 0.000 0.926 1163 G HN 0.064 nan 8.290 nan 0.000 0.523 1164 P HA 0.023 nan 4.420 nan 0.000 0.237 1164 P C -0.629 176.009 177.300 -1.104 0.000 1.178 1164 P CA 0.615 62.877 63.100 -1.398 0.000 0.766 1164 P CB 0.200 30.863 31.700 -1.728 0.000 0.876 1165 W N 0.103 121.297 121.300 -0.176 0.000 2.761 1165 W HA 0.571 5.231 4.660 -0.001 0.000 0.340 1165 W C -0.115 176.437 176.519 0.054 0.000 1.072 1165 W CA -0.866 56.461 57.345 -0.031 0.000 1.215 1165 W CB 1.235 30.674 29.460 -0.035 0.000 1.420 1165 W HN -0.356 nan 8.180 nan 0.000 0.519 1166 I N 3.083 123.860 120.570 0.346 0.000 2.433 1166 I HA 0.236 4.405 4.170 -0.001 0.000 0.292 1166 I C -0.344 175.823 176.117 0.084 0.000 1.001 1166 I CA -1.100 60.302 61.300 0.170 0.000 1.119 1166 I CB 1.531 39.583 38.000 0.086 0.000 1.289 1166 I HN 0.221 nan 8.210 nan 0.000 0.438 1167 L N 6.484 127.630 121.223 -0.127 0.000 2.407 1167 L HA 0.094 4.434 4.340 -0.001 0.000 0.282 1167 L C 1.247 177.957 176.870 -0.268 0.000 1.110 1167 L CA 0.521 55.053 54.840 -0.513 0.000 0.863 1167 L CB 0.829 42.603 42.059 -0.475 0.000 1.207 1167 L HN 0.831 nan 8.230 nan 0.000 0.454 1168 Q N 3.697 123.355 119.800 -0.236 0.000 2.165 1168 Q HA 0.026 4.365 4.340 -0.001 0.000 0.197 1168 Q C 0.079 176.023 176.000 -0.094 0.000 0.952 1168 Q CA 0.795 56.534 55.803 -0.106 0.000 0.848 1168 Q CB 0.595 29.306 28.738 -0.045 0.000 0.931 1168 Q HN 0.733 nan 8.270 nan 0.000 0.470 1169 E N -0.239 119.892 120.200 -0.115 0.000 2.343 1169 E HA 0.329 4.679 4.350 -0.001 0.000 0.278 1169 E C -1.969 174.602 176.600 -0.049 0.000 0.910 1169 E CA -0.439 55.942 56.400 -0.032 0.000 0.757 1169 E CB 2.343 32.092 29.700 0.082 0.000 1.218 1169 E HN 0.018 nan 8.360 nan 0.000 0.435 1170 S N 3.301 118.969 115.700 -0.053 0.000 2.776 1170 S HA 0.381 4.850 4.470 -0.001 0.000 0.284 1170 S C -1.562 172.959 174.600 -0.131 0.000 1.160 1170 S CA -0.746 57.403 58.200 -0.086 0.000 1.051 1170 S CB 0.736 63.870 63.200 -0.111 0.000 1.037 1170 S HN 0.447 nan 8.310 nan 0.000 0.485 1171 K N 5.332 125.571 120.400 -0.269 0.000 2.394 1171 K HA 0.444 4.764 4.320 -0.001 0.000 0.260 1171 K C -0.513 175.908 176.600 -0.299 0.000 0.967 1171 K CA -0.818 55.245 56.287 -0.372 0.000 0.855 1171 K CB 0.928 32.987 32.500 -0.735 0.000 1.101 1171 K HN 0.641 nan 8.250 nan 0.000 0.433 1172 L N 5.066 126.185 121.223 -0.173 0.000 2.499 1172 L HA 0.039 4.379 4.340 -0.001 0.000 0.273 1172 L C -0.301 176.513 176.870 -0.093 0.000 1.195 1172 L CA 0.958 55.736 54.840 -0.103 0.000 0.882 1172 L CB -0.078 41.939 42.059 -0.070 0.000 1.133 1172 L HN 1.021 nan 8.230 nan 0.000 0.483 1173 N N 2.815 121.486 118.700 -0.048 0.000 2.778 1173 N HA -0.237 4.502 4.740 -0.001 0.000 0.249 1173 N C 0.577 176.072 175.510 -0.024 0.000 1.069 1173 N CA 1.551 54.590 53.050 -0.019 0.000 0.831 1173 N CB -0.489 37.988 38.487 -0.017 0.000 1.142 1173 N HN 0.743 nan 8.380 nan 0.000 0.573 1174 Q N -1.542 118.205 119.800 -0.088 0.000 2.579 1174 Q HA 0.194 4.534 4.340 -0.001 0.000 0.198 1174 Q C -0.264 175.763 176.000 0.046 0.000 0.769 1174 Q CA 0.540 56.289 55.803 -0.089 0.000 0.861 1174 Q CB 0.779 29.334 28.738 -0.304 0.000 1.227 1174 Q HN 0.442 nan 8.270 nan 0.000 0.615 1175 Y N -1.388 118.962 120.300 0.084 0.000 2.641 1175 Y HA 0.556 5.105 4.550 -0.001 0.000 0.333 1175 Y C -2.016 173.948 175.900 0.105 0.000 1.174 1175 Y CA -1.557 56.614 58.100 0.118 0.000 1.057 1175 Y CB 0.952 39.470 38.460 0.097 0.000 1.322 1175 Y HN -0.147 nan 8.280 nan 0.000 0.457 1176 D N 1.278 121.934 120.400 0.427 0.000 2.481 1176 D HA 0.604 5.243 4.640 -0.001 0.000 0.244 1176 D C -1.219 175.278 176.300 0.328 0.000 1.057 1176 D CA -0.482 53.685 54.000 0.277 0.000 0.848 1176 D CB 3.133 44.032 40.800 0.166 0.000 1.388 1176 D HN 0.457 nan 8.370 nan 0.000 0.475 1177 V N 2.406 122.377 119.914 0.094 0.000 2.444 1177 V HA 0.421 4.541 4.120 -0.001 0.000 0.294 1177 V C -0.666 175.352 176.094 -0.127 0.000 1.022 1177 V CA -0.721 61.626 62.300 0.078 0.000 0.850 1177 V CB 0.962 32.803 31.823 0.030 0.000 0.992 1177 V HN 0.344 nan 8.190 nan 0.000 0.426 1178 F N 3.211 123.191 119.950 0.050 0.000 2.458 1178 F HA 0.747 5.274 4.527 -0.001 0.000 0.330 1178 F C 0.157 175.999 175.800 0.070 0.000 1.082 1178 F CA -0.857 57.169 58.000 0.043 0.000 0.995 1178 F CB 1.981 40.975 39.000 -0.009 0.000 1.170 1178 F HN 0.201 nan 8.300 nan 0.000 0.478 1179 V N 2.556 122.667 119.914 0.328 0.000 2.823 1179 V HA 0.444 4.564 4.120 -0.001 0.000 0.312 1179 V C -0.220 176.089 176.094 0.359 0.000 1.072 1179 V CA -1.155 61.306 62.300 0.268 0.000 0.937 1179 V CB 2.139 34.037 31.823 0.126 0.000 1.013 1179 V HN 0.688 nan 8.190 nan 0.000 0.430 1180 R N 3.291 123.969 120.500 0.298 0.000 2.538 1180 R HA -0.004 4.335 4.340 -0.001 0.000 0.282 1180 R C 0.463 176.733 176.300 -0.050 0.000 1.009 1180 R CA 0.304 56.402 56.100 -0.002 0.000 1.063 1180 R CB 0.079 30.341 30.300 -0.064 0.000 0.945 1180 R HN 0.818 nan 8.270 nan 0.000 0.414 1181 N N 2.701 121.302 118.700 -0.165 0.000 2.402 1181 N HA -0.065 4.675 4.740 -0.001 0.000 0.259 1181 N C 0.169 175.651 175.510 -0.046 0.000 1.167 1181 N CA -0.228 52.777 53.050 -0.073 0.000 0.949 1181 N CB 0.760 39.194 38.487 -0.089 0.000 1.212 1181 N HN 0.576 nan 8.380 nan 0.000 0.493 1182 E N 2.234 122.428 120.200 -0.010 0.000 2.268 1182 E HA -0.039 4.310 4.350 -0.001 0.000 0.195 1182 E C 0.020 176.626 176.600 0.011 0.000 0.995 1182 E CA 0.855 57.252 56.400 -0.006 0.000 0.836 1182 E CB 0.215 29.916 29.700 0.003 0.000 0.763 1182 E HN 0.581 nan 8.360 nan 0.000 0.491 1183 N N 0.314 119.035 118.700 0.034 0.000 2.451 1183 N HA -0.030 4.710 4.740 -0.001 0.000 0.264 1183 N C -0.937 174.616 175.510 0.071 0.000 1.167 1183 N CA -0.127 52.950 53.050 0.044 0.000 0.898 1183 N CB 0.170 38.687 38.487 0.050 0.000 1.176 1183 N HN 0.137 nan 8.380 nan 0.000 0.507 1184 Y N 1.672 121.914 120.300 -0.096 0.000 2.359 1184 Y HA 0.012 4.562 4.550 -0.001 0.000 0.330 1184 Y C 1.609 177.421 175.900 -0.146 0.000 1.143 1184 Y CA -1.042 56.959 58.100 -0.164 0.000 1.318 1184 Y CB 0.448 38.722 38.460 -0.309 0.000 1.234 1184 Y HN 0.233 nan 8.280 nan 0.000 0.522 1185 W N 4.847 125.668 121.300 -0.797 0.000 2.425 1185 W HA 0.135 4.795 4.660 -0.000 0.000 0.277 1185 W C 0.198 176.253 176.519 -0.773 0.000 1.231 1185 W CA 0.626 57.568 57.345 -0.672 0.000 1.248 1185 W CB -0.921 28.200 29.460 -0.564 0.000 1.117 1185 W HN 0.681 nan 8.180 nan 0.000 0.568 1186 G N 1.089 108.630 108.800 -2.098 0.000 2.641 1186 G HA2 0.173 4.133 3.960 -0.001 0.000 0.239 1186 G HA3 0.173 4.133 3.960 -0.001 0.000 0.239 1186 G C -0.517 174.054 174.900 -0.549 0.000 1.402 1186 G CA -0.761 43.450 45.100 -1.482 0.000 1.046 1186 G HN -0.103 nan 8.290 nan 0.000 0.565 1187 E N 0.037 120.075 120.200 -0.269 0.000 2.415 1187 E HA 0.106 4.456 4.350 -0.001 0.000 0.262 1187 E C -0.372 176.215 176.600 -0.021 0.000 1.038 1187 E CA 0.041 56.386 56.400 -0.092 0.000 0.921 1187 E CB 1.210 30.886 29.700 -0.040 0.000 0.950 1187 E HN 0.116 nan 8.360 nan 0.000 0.438 1188 K N 3.766 124.141 120.400 -0.041 0.000 2.258 1188 K HA 0.254 4.574 4.320 -0.001 0.000 0.284 1188 K C -2.410 174.141 176.600 -0.083 0.000 1.051 1188 K CA -1.980 54.269 56.287 -0.064 0.000 0.923 1188 K CB 0.463 32.931 32.500 -0.054 0.000 1.046 1188 K HN 0.136 nan 8.250 nan 0.000 0.474 1189 P HA 0.057 nan 4.420 nan 0.000 0.268 1189 P C -0.176 177.124 177.300 0.000 0.000 1.205 1189 P CA -0.077 62.968 63.100 -0.092 0.000 0.771 1189 P CB 1.116 32.650 31.700 -0.276 0.000 0.858 1190 A N 3.958 126.812 122.820 0.056 0.000 1.933 1190 A HA -0.084 4.235 4.320 -0.001 0.000 0.218 1190 A C 1.095 178.734 177.584 0.092 0.000 1.175 1190 A CA 0.976 53.048 52.037 0.058 0.000 0.628 1190 A CB -0.878 18.153 19.000 0.051 0.000 0.814 1190 A HN 0.565 nan 8.150 nan 0.000 0.444 1191 I N -0.487 120.192 120.570 0.180 0.000 2.474 1191 I HA 0.092 4.261 4.170 -0.001 0.000 0.287 1191 I C 1.375 177.666 176.117 0.290 0.000 1.048 1191 I CA -0.114 61.315 61.300 0.215 0.000 1.383 1191 I CB 1.390 39.517 38.000 0.211 0.000 1.412 1191 I HN 0.238 nan 8.210 nan 0.000 0.531 1192 K N 5.116 125.627 120.400 0.184 0.000 2.348 1192 K HA 0.177 4.496 4.320 -0.001 0.000 0.194 1192 K C 0.214 176.934 176.600 0.201 0.000 1.052 1192 K CA 0.422 56.809 56.287 0.168 0.000 1.004 1192 K CB 0.591 33.138 32.500 0.078 0.000 0.873 1192 K HN 0.569 nan 8.250 nan 0.000 0.523 1193 K N 0.853 121.332 120.400 0.130 0.000 2.561 1193 K HA 0.330 4.650 4.320 -0.001 0.000 0.254 1193 K C -1.828 174.714 176.600 -0.098 0.000 0.942 1193 K CA -0.521 55.796 56.287 0.051 0.000 0.818 1193 K CB 1.429 33.943 32.500 0.022 0.000 1.306 1193 K HN -0.022 nan 8.250 nan 0.000 0.435 1194 I N 3.041 123.516 120.570 -0.158 0.000 2.468 1194 I HA 0.251 4.421 4.170 -0.001 0.000 0.285 1194 I C -0.719 175.295 176.117 -0.172 0.000 1.039 1194 I CA -0.746 60.329 61.300 -0.375 0.000 1.074 1194 I CB 2.354 39.828 38.000 -0.877 0.000 1.228 1194 I HN 0.507 nan 8.210 nan 0.000 0.436 1195 T N 5.850 120.268 114.554 -0.227 0.000 2.795 1195 T HA 0.522 4.872 4.350 -0.001 0.000 0.282 1195 T C -0.598 173.997 174.700 -0.176 0.000 0.980 1195 T CA -0.219 61.833 62.100 -0.080 0.000 1.012 1195 T CB 0.576 69.383 68.868 -0.103 0.000 0.936 1195 T HN 0.111 nan 8.240 nan 0.000 0.457 1196 F N 2.895 122.917 119.950 0.120 0.000 2.332 1196 F HA 0.346 4.873 4.527 -0.000 0.000 0.368 1196 F C 0.950 176.883 175.800 0.222 0.000 1.110 1196 F CA -0.990 57.114 58.000 0.175 0.000 1.087 1196 F CB 0.380 39.537 39.000 0.262 0.000 1.235 1196 F HN 0.476 nan 8.300 nan 0.000 0.470 1197 N N 2.142 121.011 118.700 0.282 0.000 2.470 1197 N HA 0.274 5.013 4.740 -0.001 0.000 0.268 1197 N C -0.914 174.766 175.510 0.284 0.000 1.136 1197 N CA -0.481 52.729 53.050 0.267 0.000 0.961 1197 N CB 1.355 39.942 38.487 0.167 0.000 1.067 1197 N HN 0.202 nan 8.380 nan 0.000 0.468 1198 V N 4.582 124.649 119.914 0.256 0.000 2.389 1198 V HA 0.222 4.341 4.120 -0.001 0.000 0.264 1198 V C 0.260 176.439 176.094 0.141 0.000 1.049 1198 V CA 0.052 62.480 62.300 0.214 0.000 0.932 1198 V CB -0.247 31.674 31.823 0.163 0.000 1.011 1198 V HN 0.598 nan 8.190 nan 0.000 0.475 1199 I N 7.882 128.523 120.570 0.118 0.000 2.595 1199 I HA 0.279 4.449 4.170 -0.001 0.000 0.276 1199 I C -1.680 174.452 176.117 0.024 0.000 1.109 1199 I CA -1.419 59.923 61.300 0.071 0.000 1.084 1199 I CB 2.607 40.653 38.000 0.077 0.000 1.206 1199 I HN 0.408 nan 8.210 nan 0.000 0.486 1200 P HA -0.104 nan 4.420 nan 0.000 0.221 1200 P C 0.247 177.524 177.300 -0.038 0.000 1.150 1200 P CA 1.079 64.164 63.100 -0.026 0.000 0.800 1200 P CB 0.213 31.905 31.700 -0.013 0.000 0.787 1201 D N 0.020 120.410 120.400 -0.017 0.000 2.280 1201 D HA 0.108 4.748 4.640 -0.001 0.000 0.243 1201 D C -1.642 174.642 176.300 -0.028 0.000 1.129 1201 D CA -2.517 51.470 54.000 -0.022 0.000 0.848 1201 D CB 1.343 42.139 40.800 -0.007 0.000 1.107 1201 D HN -0.095 nan 8.370 nan 0.000 0.471 1202 P HA -0.092 nan 4.420 nan 0.000 0.218 1202 P C 1.279 178.556 177.300 -0.039 0.000 1.148 1202 P CA 1.002 64.066 63.100 -0.061 0.000 0.822 1202 P CB 0.257 31.905 31.700 -0.087 0.000 0.784 1203 T N -0.948 113.588 114.554 -0.030 0.000 2.788 1203 T HA -0.100 4.250 4.350 -0.001 0.000 0.268 1203 T C 1.656 176.366 174.700 0.018 0.000 1.044 1203 T CA 1.951 64.042 62.100 -0.016 0.000 1.139 1203 T CB -1.030 67.830 68.868 -0.014 0.000 0.867 1203 T HN 0.198 nan 8.240 nan 0.000 0.454 1204 T N 1.668 116.234 114.554 0.021 0.000 2.951 1204 T HA 0.015 4.365 4.350 -0.001 0.000 0.268 1204 T C 2.088 176.826 174.700 0.064 0.000 1.073 1204 T CA 0.648 62.774 62.100 0.042 0.000 1.134 1204 T CB -0.061 68.828 68.868 0.034 0.000 0.884 1204 T HN 0.368 nan 8.240 nan 0.000 0.479 1205 R N 1.135 121.667 120.500 0.054 0.000 2.081 1205 R HA 0.052 4.391 4.340 -0.001 0.000 0.235 1205 R C 2.849 179.238 176.300 0.147 0.000 1.131 1205 R CA 1.251 57.401 56.100 0.084 0.000 0.960 1205 R CB -0.471 29.856 30.300 0.045 0.000 0.856 1205 R HN 0.356 nan 8.270 nan 0.000 0.436 1206 A N 0.830 123.729 122.820 0.131 0.000 1.877 1206 A HA -0.127 4.193 4.320 -0.001 0.000 0.216 1206 A C 2.378 180.150 177.584 0.314 0.000 1.186 1206 A CA 1.493 53.677 52.037 0.244 0.000 0.620 1206 A CB -0.585 18.462 19.000 0.078 0.000 0.822 1206 A HN 0.115 nan 8.150 nan 0.000 0.443 1207 V N -0.132 119.893 119.914 0.185 0.000 2.358 1207 V HA -0.230 3.890 4.120 -0.001 0.000 0.246 1207 V C 3.059 179.229 176.094 0.127 0.000 1.047 1207 V CA 1.810 64.202 62.300 0.154 0.000 1.035 1207 V CB -1.274 30.607 31.823 0.096 0.000 0.658 1207 V HN 0.625 nan 8.190 nan 0.000 0.452 1208 A N -0.414 122.477 122.820 0.119 0.000 1.948 1208 A HA -0.294 4.026 4.320 -0.001 0.000 0.220 1208 A C 2.118 179.749 177.584 0.078 0.000 1.177 1208 A CA 2.324 54.414 52.037 0.089 0.000 0.636 1208 A CB -0.738 18.321 19.000 0.098 0.000 0.815 1208 A HN 0.549 nan 8.150 nan 0.000 0.449 1209 F N 0.832 120.788 119.950 0.011 0.000 2.113 1209 F HA -0.096 4.431 4.527 -0.001 0.000 0.297 1209 F C 2.192 177.909 175.800 -0.139 0.000 1.103 1209 F CA 2.047 59.999 58.000 -0.080 0.000 1.248 1209 F CB -0.291 38.662 39.000 -0.078 0.000 0.999 1209 F HN 0.363 nan 8.300 nan 0.000 0.475 1210 E N -0.653 119.552 120.200 0.008 0.000 2.153 1210 E HA -0.196 4.154 4.350 -0.001 0.000 0.194 1210 E C 1.979 178.530 176.600 -0.080 0.000 0.988 1210 E CA 1.741 58.130 56.400 -0.019 0.000 0.811 1210 E CB -0.435 29.373 29.700 0.181 0.000 0.746 1210 E HN 0.524 nan 8.360 nan 0.000 0.466 1211 T N -2.815 111.698 114.554 -0.068 0.000 3.085 1211 T HA 0.157 4.507 4.350 -0.001 0.000 0.263 1211 T C 1.649 176.275 174.700 -0.122 0.000 1.127 1211 T CA 0.433 62.495 62.100 -0.063 0.000 1.103 1211 T CB 0.264 69.116 68.868 -0.028 0.000 0.921 1211 T HN 0.313 nan 8.240 nan 0.000 0.510 1212 G N 1.371 110.032 108.800 -0.231 0.000 2.179 1212 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.260 1212 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.260 1212 G C 0.542 175.338 174.900 -0.173 0.000 0.977 1212 G CA 0.338 45.284 45.100 -0.257 0.000 0.641 1212 G HN 0.502 nan 8.290 nan 0.000 0.533 1213 D N -0.223 120.106 120.400 -0.118 0.000 2.178 1213 D HA 0.108 4.748 4.640 -0.001 0.000 0.202 1213 D C 1.337 177.603 176.300 -0.057 0.000 0.974 1213 D CA 0.894 54.856 54.000 -0.065 0.000 0.841 1213 D CB 0.329 41.115 40.800 -0.024 0.000 0.953 1213 D HN 0.573 nan 8.370 nan 0.000 0.478 1214 I N 0.380 120.916 120.570 -0.057 0.000 2.646 1214 I HA 0.078 4.248 4.170 -0.001 0.000 0.299 1214 I C 0.293 176.400 176.117 -0.017 0.000 1.036 1214 I CA -0.520 60.778 61.300 -0.003 0.000 1.074 1214 I CB 2.478 40.530 38.000 0.086 0.000 1.258 1214 I HN -0.314 nan 8.210 nan 0.000 0.430 1215 D N 4.959 125.375 120.400 0.027 0.000 2.392 1215 D HA 0.248 4.887 4.640 -0.001 0.000 0.206 1215 D C -0.163 176.270 176.300 0.223 0.000 1.046 1215 D CA 0.655 54.687 54.000 0.054 0.000 0.865 1215 D CB 1.348 42.144 40.800 -0.007 0.000 0.969 1215 D HN 0.117 nan 8.370 nan 0.000 0.509 1216 L N 0.543 121.898 121.223 0.219 0.000 2.591 1216 L HA 0.360 4.700 4.340 -0.001 0.000 0.257 1216 L C -2.117 174.821 176.870 0.113 0.000 0.935 1216 L CA -0.473 54.460 54.840 0.154 0.000 0.873 1216 L CB 2.163 44.278 42.059 0.093 0.000 1.397 1216 L HN -0.225 nan 8.230 nan 0.000 0.414 1217 L N 4.466 125.721 121.223 0.054 0.000 2.409 1217 L HA 0.492 4.831 4.340 -0.001 0.000 0.272 1217 L C -1.709 175.227 176.870 0.111 0.000 0.980 1217 L CA -0.529 54.356 54.840 0.075 0.000 0.826 1217 L CB 2.279 44.345 42.059 0.011 0.000 1.268 1217 L HN 0.545 nan 8.230 nan 0.000 0.407 1218 Y N 3.150 123.451 120.300 0.001 0.000 2.315 1218 Y HA 0.721 5.270 4.550 -0.000 0.000 0.324 1218 Y C -0.119 175.797 175.900 0.026 0.000 1.062 1218 Y CA -0.244 57.842 58.100 -0.024 0.000 1.159 1218 Y CB 1.726 40.112 38.460 -0.123 0.000 1.145 1218 Y HN 0.643 nan 8.280 nan 0.000 0.442 1219 G N 3.385 112.174 108.800 -0.018 0.000 2.335 1219 G HA2 0.105 4.064 3.960 -0.001 0.000 0.291 1219 G HA3 0.105 4.064 3.960 -0.001 0.000 0.291 1219 G C -1.035 173.792 174.900 -0.122 0.000 1.261 1219 G CA -0.303 44.824 45.100 0.046 0.000 0.871 1219 G HN 0.794 nan 8.290 nan 0.000 0.491 1220 N N -1.369 117.279 118.700 -0.086 0.000 1.958 1220 N HA 0.027 4.767 4.740 -0.001 0.000 0.223 1220 N C -0.739 174.696 175.510 -0.125 0.000 1.395 1220 N CA -0.178 52.787 53.050 -0.141 0.000 0.737 1220 N CB 1.098 39.521 38.487 -0.107 0.000 1.155 1220 N HN 0.413 nan 8.380 nan 0.000 0.529 1221 E N 1.405 121.535 120.200 -0.117 0.000 2.947 1221 E HA 0.202 4.552 4.350 -0.001 0.000 0.229 1221 E C 0.229 176.720 176.600 -0.181 0.000 1.158 1221 E CA -0.281 56.038 56.400 -0.135 0.000 1.441 1221 E CB 0.504 30.138 29.700 -0.111 0.000 1.414 1221 E HN 0.483 nan 8.360 nan 0.000 0.432 1222 G N 2.008 110.698 108.800 -0.184 0.000 2.221 1222 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.265 1222 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.265 1222 G C 0.848 175.632 174.900 -0.195 0.000 1.041 1222 G CA 0.670 45.660 45.100 -0.183 0.000 0.807 1222 G HN 0.525 nan 8.290 nan 0.000 0.502 1223 L N -0.646 120.454 121.223 -0.206 0.000 2.137 1223 L HA 0.217 4.556 4.340 -0.001 0.000 0.213 1223 L C 1.248 178.037 176.870 -0.135 0.000 1.085 1223 L CA 2.453 57.183 54.840 -0.184 0.000 0.760 1223 L CB 0.001 41.982 42.059 -0.129 0.000 0.893 1223 L HN 0.909 nan 8.230 nan 0.000 0.434 1224 L N -4.930 116.205 121.223 -0.147 0.000 2.469 1224 L HA 0.683 5.022 4.340 -0.001 0.000 0.256 1224 L C -2.782 173.993 176.870 -0.158 0.000 1.006 1224 L CA -2.075 52.684 54.840 -0.136 0.000 0.832 1224 L CB 0.997 42.984 42.059 -0.120 0.000 1.421 1224 L HN -0.343 nan 8.230 nan 0.000 0.410 1225 P HA 0.183 nan 4.420 nan 0.000 0.269 1225 P C 0.325 177.509 177.300 -0.193 0.000 1.209 1225 P CA -0.273 62.728 63.100 -0.165 0.000 0.776 1225 P CB 0.796 32.397 31.700 -0.164 0.000 0.876 1226 L N 2.201 123.321 121.223 -0.173 0.000 2.179 1226 L HA -0.113 4.227 4.340 -0.001 0.000 0.208 1226 L C 1.868 178.474 176.870 -0.441 0.000 1.096 1226 L CA 1.719 56.459 54.840 -0.167 0.000 0.779 1226 L CB -1.082 40.957 42.059 -0.033 0.000 0.922 1226 L HN 0.425 nan 8.230 nan 0.000 0.443 1227 D N -2.081 117.906 120.400 -0.688 0.000 2.144 1227 D HA -0.183 4.457 4.640 -0.001 0.000 0.199 1227 D C 1.809 177.768 176.300 -0.569 0.000 0.984 1227 D CA 1.758 55.121 54.000 -1.062 0.000 0.834 1227 D CB -0.940 39.429 40.800 -0.720 0.000 0.955 1227 D HN 0.187 nan 8.370 nan 0.000 0.465 1228 T N -0.236 114.055 114.554 -0.439 0.000 2.777 1228 T HA -0.080 4.270 4.350 -0.001 0.000 0.266 1228 T C 1.443 175.747 174.700 -0.660 0.000 1.040 1228 T CA 0.915 62.684 62.100 -0.551 0.000 1.141 1228 T CB -0.605 67.907 68.868 -0.593 0.000 0.868 1228 T HN 0.165 nan 8.240 nan 0.000 0.444 1229 F N 2.357 121.978 119.950 -0.547 0.000 2.095 1229 F HA -0.059 4.468 4.527 0.000 0.000 0.298 1229 F C 2.464 178.151 175.800 -0.188 0.000 1.104 1229 F CA 1.060 58.851 58.000 -0.347 0.000 1.232 1229 F CB -0.718 38.141 39.000 -0.234 0.000 0.987 1229 F HN 0.143 nan 8.300 nan 0.000 0.475 1230 A N 0.665 123.354 122.820 -0.219 0.000 1.908 1230 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 1230 A C 2.363 179.836 177.584 -0.186 0.000 1.181 1230 A CA 1.902 53.821 52.037 -0.196 0.000 0.627 1230 A CB -0.741 18.178 19.000 -0.134 0.000 0.818 1230 A HN 0.476 nan 8.150 nan 0.000 0.445 1231 R N -1.661 118.733 120.500 -0.177 0.000 2.075 1231 R HA -0.066 4.274 4.340 -0.001 0.000 0.232 1231 R C 1.850 178.223 176.300 0.121 0.000 1.126 1231 R CA 1.344 57.421 56.100 -0.037 0.000 0.963 1231 R CB -0.452 29.836 30.300 -0.020 0.000 0.858 1231 R HN 0.516 nan 8.270 nan 0.000 0.435 1232 F N 1.171 121.040 119.950 -0.135 0.000 2.171 1232 F HA -0.154 4.373 4.527 -0.001 0.000 0.300 1232 F C 2.728 178.419 175.800 -0.182 0.000 1.090 1232 F CA 1.390 59.359 58.000 -0.051 0.000 1.293 1232 F CB -1.150 37.809 39.000 -0.067 0.000 1.013 1232 F HN 0.064 nan 8.300 nan 0.000 0.486 1233 S N -0.567 115.020 115.700 -0.189 0.000 2.515 1233 S HA -0.151 4.319 4.470 -0.001 0.000 0.231 1233 S C 1.433 175.962 174.600 -0.118 0.000 0.987 1233 S CA 0.725 58.771 58.200 -0.257 0.000 0.936 1233 S CB -0.459 62.475 63.200 -0.442 0.000 0.766 1233 S HN 0.544 nan 8.310 nan 0.000 0.528 1234 Q N 0.783 120.539 119.800 -0.073 0.000 2.282 1234 Q HA 0.294 4.633 4.340 -0.001 0.000 0.206 1234 Q C -0.164 175.798 176.000 -0.065 0.000 0.878 1234 Q CA -0.297 55.473 55.803 -0.055 0.000 0.944 1234 Q CB 0.182 28.897 28.738 -0.038 0.000 1.100 1234 Q HN 0.413 nan 8.270 nan 0.000 0.509 1235 N N 1.547 120.199 118.700 -0.080 0.000 2.406 1235 N HA 0.089 4.829 4.740 -0.001 0.000 0.251 1235 N C -2.082 173.324 175.510 -0.173 0.000 1.069 1235 N CA -1.729 51.208 53.050 -0.189 0.000 0.947 1235 N CB 1.386 39.636 38.487 -0.395 0.000 1.111 1235 N HN -0.095 nan 8.380 nan 0.000 0.497 1236 P HA -0.002 nan 4.420 nan 0.000 0.225 1236 P C 0.524 177.771 177.300 -0.088 0.000 1.148 1236 P CA 0.684 63.727 63.100 -0.095 0.000 0.779 1236 P CB 0.331 31.982 31.700 -0.082 0.000 0.780 1237 A N -2.619 120.092 122.820 -0.182 0.000 2.132 1237 A HA 0.043 4.363 4.320 -0.001 0.000 0.213 1237 A C 0.333 177.994 177.584 0.128 0.000 1.154 1237 A CA 0.623 52.597 52.037 -0.105 0.000 0.753 1237 A CB -0.574 18.286 19.000 -0.235 0.000 0.826 1237 A HN 0.036 nan 8.150 nan 0.000 0.469 1238 Y N -0.627 119.672 120.300 -0.001 0.000 2.457 1238 Y HA 0.416 4.966 4.550 0.000 0.000 0.333 1238 Y C 0.294 176.236 175.900 0.071 0.000 1.119 1238 Y CA -2.059 56.073 58.100 0.054 0.000 1.143 1238 Y CB 0.478 38.921 38.460 -0.027 0.000 1.230 1238 Y HN 0.280 nan 8.280 nan 0.000 0.469 1239 H N 2.062 121.243 119.070 0.185 0.000 2.552 1239 H HA 0.399 4.954 4.556 -0.001 0.000 0.311 1239 H C -0.733 174.631 175.328 0.059 0.000 1.071 1239 H CA -0.031 56.074 56.048 0.094 0.000 1.307 1239 H CB 0.966 30.776 29.762 0.081 0.000 1.416 1239 H HN 0.796 nan 8.280 nan 0.000 0.464 1240 T N 2.198 116.650 114.554 -0.170 0.000 2.916 1240 T HA 0.576 4.925 4.350 -0.001 0.000 0.292 1240 T C -0.564 174.070 174.700 -0.111 0.000 1.064 1240 T CA -0.987 61.069 62.100 -0.074 0.000 1.011 1240 T CB 2.757 71.538 68.868 -0.145 0.000 1.152 1240 T HN 0.666 nan 8.240 nan 0.000 0.510 1241 Q N 0.347 120.217 119.800 0.116 0.000 2.377 1241 Q HA 0.589 4.929 4.340 -0.001 0.000 0.279 1241 Q C -1.822 174.338 176.000 0.267 0.000 1.049 1241 Q CA -0.927 54.969 55.803 0.155 0.000 0.825 1241 Q CB 3.058 31.912 28.738 0.194 0.000 1.401 1241 Q HN 0.608 nan 8.270 nan 0.000 0.404 1242 L N 2.235 123.580 121.223 0.203 0.000 2.406 1242 L HA 0.484 4.823 4.340 -0.001 0.000 0.272 1242 L C -0.208 176.649 176.870 -0.022 0.000 0.980 1242 L CA -0.331 54.560 54.840 0.085 0.000 0.831 1242 L CB 1.998 44.123 42.059 0.110 0.000 1.253 1242 L HN 0.907 nan 8.230 nan 0.000 0.406 1243 S N 4.113 119.641 115.700 -0.288 0.000 2.608 1243 S HA 0.288 4.758 4.470 -0.001 0.000 0.261 1243 S C 0.105 174.544 174.600 -0.268 0.000 1.314 1243 S CA -0.582 57.282 58.200 -0.560 0.000 0.992 1243 S CB 0.955 63.422 63.200 -1.223 0.000 0.935 1243 S HN 0.653 nan 8.310 nan 0.000 0.564 1244 Q N 1.171 120.841 119.800 -0.216 0.000 2.395 1244 Q HA 0.213 4.553 4.340 -0.001 0.000 0.271 1244 Q C -2.232 173.681 176.000 -0.145 0.000 1.026 1244 Q CA -1.083 54.643 55.803 -0.129 0.000 0.900 1244 Q CB -0.376 28.309 28.738 -0.087 0.000 1.266 1244 Q HN 0.507 nan 8.270 nan 0.000 0.430 1245 P HA -0.013 nan 4.420 nan 0.000 0.269 1245 P C 0.312 177.564 177.300 -0.080 0.000 1.209 1245 P CA 0.461 63.519 63.100 -0.070 0.000 0.776 1245 P CB 0.289 31.985 31.700 -0.006 0.000 0.876 1246 I N -0.378 120.156 120.570 -0.060 0.000 4.187 1246 I HA 0.351 4.521 4.170 -0.001 0.000 0.326 1246 I C 0.463 176.583 176.117 0.004 0.000 1.302 1246 I CA 0.138 61.419 61.300 -0.031 0.000 1.196 1246 I CB 0.119 38.102 38.000 -0.029 0.000 1.095 1246 I HN 0.308 nan 8.210 nan 0.000 0.411 1247 E N 1.114 121.322 120.200 0.014 0.000 2.422 1247 E HA 0.271 4.621 4.350 -0.001 0.000 0.280 1247 E C -1.152 175.485 176.600 0.062 0.000 1.091 1247 E CA -0.800 55.610 56.400 0.017 0.000 0.849 1247 E CB 1.450 31.145 29.700 -0.008 0.000 1.353 1247 E HN -0.017 nan 8.360 nan 0.000 0.449 1248 T N -0.477 114.068 114.554 -0.014 0.000 2.859 1248 T HA 0.486 4.836 4.350 -0.001 0.000 0.281 1248 T C -0.577 174.026 174.700 -0.163 0.000 1.005 1248 T CA -0.428 61.656 62.100 -0.027 0.000 1.025 1248 T CB 1.337 70.227 68.868 0.035 0.000 0.977 1248 T HN 0.647 nan 8.240 nan 0.000 0.458 1249 V N 7.163 126.990 119.914 -0.144 0.000 2.483 1249 V HA 0.857 4.977 4.120 -0.001 0.000 0.295 1249 V C -0.488 175.551 176.094 -0.091 0.000 1.035 1249 V CA -0.752 61.485 62.300 -0.105 0.000 0.896 1249 V CB 0.928 32.709 31.823 -0.071 0.000 0.986 1249 V HN 1.154 nan 8.190 nan 0.000 0.447 1250 M N 5.468 125.064 119.600 -0.006 0.000 2.924 1250 M HA 0.622 5.102 4.480 -0.001 0.000 0.271 1250 M C -2.139 174.231 176.300 0.118 0.000 1.280 1250 M CA -0.905 54.407 55.300 0.021 0.000 0.813 1250 M CB 2.174 34.748 32.600 -0.044 0.000 1.658 1250 M HN 0.514 nan 8.290 nan 0.000 0.467 1251 L N 1.635 122.895 121.223 0.063 0.000 2.334 1251 L HA 0.829 5.169 4.340 -0.001 0.000 0.275 1251 L C 0.001 176.959 176.870 0.148 0.000 1.036 1251 L CA -0.827 54.020 54.840 0.012 0.000 0.807 1251 L CB 1.730 43.716 42.059 -0.121 0.000 1.231 1251 L HN 0.885 nan 8.230 nan 0.000 0.438 1252 A N 3.083 125.980 122.820 0.128 0.000 2.305 1252 A HA 0.722 5.042 4.320 -0.001 0.000 0.322 1252 A C -0.914 176.706 177.584 0.060 0.000 1.187 1252 A CA -0.449 51.666 52.037 0.129 0.000 0.825 1252 A CB 0.719 19.787 19.000 0.114 0.000 1.164 1252 A HN 0.420 nan 8.150 nan 0.000 0.498 1253 L N 2.270 123.479 121.223 -0.024 0.000 2.307 1253 L HA 0.370 4.710 4.340 -0.001 0.000 0.284 1253 L C 0.211 177.068 176.870 -0.021 0.000 1.023 1253 L CA -0.514 54.317 54.840 -0.015 0.000 0.810 1253 L CB 1.341 43.343 42.059 -0.095 0.000 1.231 1253 L HN 0.760 nan 8.230 nan 0.000 0.423 1254 N N 0.974 119.643 118.700 -0.052 0.000 2.482 1254 N HA 0.012 4.752 4.740 -0.001 0.000 0.242 1254 N C 1.054 176.444 175.510 -0.200 0.000 1.100 1254 N CA 0.203 53.114 53.050 -0.233 0.000 0.946 1254 N CB 0.858 38.973 38.487 -0.619 0.000 1.227 1254 N HN 0.734 nan 8.380 nan 0.000 0.508 1255 T N 0.100 114.551 114.554 -0.172 0.000 3.098 1255 T HA -0.012 4.337 4.350 -0.001 0.000 0.266 1255 T C 1.266 175.882 174.700 -0.140 0.000 1.145 1255 T CA 0.838 62.851 62.100 -0.145 0.000 1.092 1255 T CB 0.040 68.823 68.868 -0.141 0.000 0.908 1255 T HN 0.352 nan 8.240 nan 0.000 0.526 1256 A N 0.069 122.785 122.820 -0.173 0.000 2.308 1256 A HA 0.395 4.715 4.320 -0.001 0.000 0.217 1256 A C 0.870 178.369 177.584 -0.142 0.000 1.216 1256 A CA -0.248 51.699 52.037 -0.150 0.000 0.864 1256 A CB 0.105 19.007 19.000 -0.163 0.000 0.902 1256 A HN 0.426 nan 8.150 nan 0.000 0.499 1257 K N 0.719 121.021 120.400 -0.163 0.000 2.426 1257 K HA 0.602 4.922 4.320 -0.001 0.000 0.254 1257 K C -0.465 176.076 176.600 -0.098 0.000 0.936 1257 K CA -0.536 55.664 56.287 -0.146 0.000 0.801 1257 K CB 1.696 34.064 32.500 -0.219 0.000 1.139 1257 K HN 0.186 nan 8.250 nan 0.000 0.424 1258 A N 4.524 127.315 122.820 -0.049 0.000 2.531 1258 A HA 0.161 4.481 4.320 -0.001 0.000 0.236 1258 A C -1.727 175.842 177.584 -0.024 0.000 1.062 1258 A CA -0.643 51.394 52.037 0.000 0.000 0.760 1258 A CB -0.109 18.919 19.000 0.046 0.000 0.995 1258 A HN 0.625 nan 8.150 nan 0.000 0.501 1259 P HA 0.049 nan 4.420 nan 0.000 0.261 1259 P C 0.888 178.141 177.300 -0.079 0.000 1.268 1259 P CA 0.715 63.802 63.100 -0.023 0.000 0.833 1259 P CB -0.035 31.530 31.700 -0.224 0.000 1.231 1260 T N -2.037 112.457 114.554 -0.101 0.000 3.113 1260 T HA -0.089 4.261 4.350 -0.001 0.000 0.263 1260 T C 1.424 176.073 174.700 -0.086 0.000 1.143 1260 T CA 0.525 62.561 62.100 -0.107 0.000 1.090 1260 T CB -1.052 67.747 68.868 -0.115 0.000 0.922 1260 T HN 0.133 nan 8.240 nan 0.000 0.521 1261 N N 1.580 120.241 118.700 -0.064 0.000 2.609 1261 N HA -0.074 4.666 4.740 -0.001 0.000 0.190 1261 N C 0.068 175.567 175.510 -0.018 0.000 1.157 1261 N CA 0.303 53.323 53.050 -0.050 0.000 0.918 1261 N CB -0.257 38.205 38.487 -0.043 0.000 0.978 1261 N HN 0.559 nan 8.380 nan 0.000 0.448 1262 E N 0.076 120.278 120.200 0.004 0.000 2.151 1262 E HA 0.118 4.468 4.350 -0.001 0.000 0.275 1262 E C 0.627 177.231 176.600 0.007 0.000 0.936 1262 E CA -0.659 55.763 56.400 0.037 0.000 0.777 1262 E CB 1.953 31.730 29.700 0.129 0.000 1.108 1262 E HN -0.005 nan 8.360 nan 0.000 0.401 1263 L N 4.338 125.564 121.223 0.005 0.000 1.990 1263 L HA -0.257 4.083 4.340 -0.001 0.000 0.213 1263 L C 2.020 178.892 176.870 0.004 0.000 1.072 1263 L CA 2.679 57.515 54.840 -0.007 0.000 0.755 1263 L CB -0.563 41.495 42.059 -0.001 0.000 0.889 1263 L HN 0.711 nan 8.230 nan 0.000 0.432 1264 A N -1.249 121.592 122.820 0.036 0.000 1.940 1264 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 1264 A C 2.267 179.863 177.584 0.020 0.000 1.176 1264 A CA 2.058 54.125 52.037 0.050 0.000 0.631 1264 A CB -1.133 17.922 19.000 0.091 0.000 0.814 1264 A HN 0.374 nan 8.150 nan 0.000 0.446 1265 V N -0.079 119.825 119.914 -0.017 0.000 2.307 1265 V HA -0.242 3.877 4.120 -0.001 0.000 0.245 1265 V C 2.624 178.660 176.094 -0.097 0.000 1.045 1265 V CA 2.132 64.360 62.300 -0.120 0.000 1.024 1265 V CB -0.767 30.925 31.823 -0.217 0.000 0.651 1265 V HN 0.532 nan 8.190 nan 0.000 0.449 1266 R N -0.100 120.353 120.500 -0.079 0.000 2.096 1266 R HA -0.165 4.174 4.340 -0.001 0.000 0.235 1266 R C 2.272 178.526 176.300 -0.076 0.000 1.127 1266 R CA 1.609 57.657 56.100 -0.087 0.000 0.968 1266 R CB -0.303 29.941 30.300 -0.092 0.000 0.861 1266 R HN 0.641 nan 8.270 nan 0.000 0.440 1267 E N 0.700 120.873 120.200 -0.045 0.000 2.051 1267 E HA -0.165 4.185 4.350 -0.001 0.000 0.192 1267 E C 2.100 178.732 176.600 0.054 0.000 0.991 1267 E CA 1.189 57.578 56.400 -0.020 0.000 0.799 1267 E CB -0.141 29.588 29.700 0.047 0.000 0.748 1267 E HN 0.337 nan 8.360 nan 0.000 0.449 1268 A N 1.401 124.266 122.820 0.076 0.000 1.902 1268 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 1268 A C 2.223 179.849 177.584 0.071 0.000 1.181 1268 A CA 1.070 53.177 52.037 0.117 0.000 0.623 1268 A CB -0.682 18.331 19.000 0.022 0.000 0.818 1268 A HN 0.133 nan 8.150 nan 0.000 0.443 1269 L N -0.228 120.987 121.223 -0.015 0.000 2.083 1269 L HA -0.194 4.146 4.340 -0.001 0.000 0.209 1269 L C 2.004 178.860 176.870 -0.024 0.000 1.083 1269 L CA 1.172 55.994 54.840 -0.030 0.000 0.752 1269 L CB -0.656 41.361 42.059 -0.070 0.000 0.899 1269 L HN 0.446 nan 8.230 nan 0.000 0.433 1270 N N -0.747 117.902 118.700 -0.084 0.000 2.573 1270 N HA -0.142 4.598 4.740 -0.001 0.000 0.187 1270 N C 1.024 176.398 175.510 -0.227 0.000 1.107 1270 N CA 0.998 53.942 53.050 -0.177 0.000 0.918 1270 N CB 0.157 38.475 38.487 -0.282 0.000 0.966 1270 N HN 0.424 nan 8.380 nan 0.000 0.448 1271 Y N -0.669 119.633 120.300 0.004 0.000 2.467 1271 Y HA 0.328 4.878 4.550 -0.001 0.000 0.250 1271 Y C 1.854 177.794 175.900 0.067 0.000 1.155 1271 Y CA -0.263 57.848 58.100 0.019 0.000 1.249 1271 Y CB 0.324 38.768 38.460 -0.027 0.000 1.146 1271 Y HN -0.021 nan 8.280 nan 0.000 0.524 1272 A N 0.143 123.080 122.820 0.196 0.000 2.030 1272 A HA 0.163 4.483 4.320 -0.001 0.000 0.215 1272 A C 0.811 178.570 177.584 0.293 0.000 1.164 1272 A CA 0.600 52.757 52.037 0.201 0.000 0.697 1272 A CB -0.576 18.480 19.000 0.094 0.000 0.827 1272 A HN 0.068 nan 8.150 nan 0.000 0.457 1273 V N -0.792 119.237 119.914 0.192 0.000 2.465 1273 V HA 0.463 4.582 4.120 -0.001 0.000 0.279 1273 V C -0.313 175.742 176.094 -0.064 0.000 1.045 1273 V CA -0.941 61.387 62.300 0.048 0.000 0.938 1273 V CB 1.143 32.961 31.823 -0.007 0.000 0.986 1273 V HN 0.282 nan 8.190 nan 0.000 0.467 1274 N N 3.991 122.428 118.700 -0.439 0.000 2.663 1274 N HA 0.244 4.983 4.740 -0.001 0.000 0.250 1274 N C 0.820 176.111 175.510 -0.366 0.000 1.129 1274 N CA -0.007 52.523 53.050 -0.866 0.000 0.995 1274 N CB 0.574 38.331 38.487 -1.216 0.000 1.324 1274 N HN 0.813 nan 8.380 nan 0.000 0.512 1275 K N 1.647 121.928 120.400 -0.198 0.000 2.057 1275 K HA -0.177 4.143 4.320 -0.001 0.000 0.207 1275 K C 1.552 178.076 176.600 -0.126 0.000 1.049 1275 K CA 1.109 57.319 56.287 -0.129 0.000 0.931 1275 K CB 0.183 32.631 32.500 -0.086 0.000 0.714 1275 K HN 0.265 nan 8.250 nan 0.000 0.440 1276 K N 1.203 121.534 120.400 -0.115 0.000 2.044 1276 K HA -0.184 4.135 4.320 -0.001 0.000 0.210 1276 K C 2.273 178.805 176.600 -0.114 0.000 1.049 1276 K CA 1.999 58.232 56.287 -0.090 0.000 0.927 1276 K CB -0.410 32.057 32.500 -0.055 0.000 0.713 1276 K HN 0.040 nan 8.250 nan 0.000 0.443 1277 S N -0.126 115.478 115.700 -0.161 0.000 2.368 1277 S HA -0.084 4.385 4.470 -0.001 0.000 0.224 1277 S C 1.924 176.432 174.600 -0.153 0.000 1.029 1277 S CA 1.076 59.181 58.200 -0.158 0.000 0.988 1277 S CB -0.401 62.689 63.200 -0.184 0.000 0.838 1277 S HN 0.443 nan 8.310 nan 0.000 0.462 1278 L N 0.772 121.901 121.223 -0.157 0.000 2.013 1278 L HA -0.107 4.233 4.340 -0.001 0.000 0.212 1278 L C 2.268 179.063 176.870 -0.126 0.000 1.073 1278 L CA 1.887 56.647 54.840 -0.134 0.000 0.753 1278 L CB -0.360 41.629 42.059 -0.116 0.000 0.890 1278 L HN 0.421 nan 8.230 nan 0.000 0.432 1279 I N -0.311 120.192 120.570 -0.112 0.000 2.163 1279 I HA -0.292 3.877 4.170 -0.001 0.000 0.240 1279 I C 2.082 178.137 176.117 -0.103 0.000 1.081 1279 I CA 1.371 62.615 61.300 -0.093 0.000 1.353 1279 I CB -0.516 37.439 38.000 -0.074 0.000 1.054 1279 I HN 0.284 nan 8.210 nan 0.000 0.407 1280 D N 0.741 121.076 120.400 -0.108 0.000 2.149 1280 D HA -0.143 4.497 4.640 -0.001 0.000 0.198 1280 D C 1.813 177.996 176.300 -0.195 0.000 0.990 1280 D CA 1.120 55.051 54.000 -0.114 0.000 0.839 1280 D CB -0.237 40.508 40.800 -0.092 0.000 0.948 1280 D HN 0.387 nan 8.370 nan 0.000 0.460 1281 N N 0.216 118.782 118.700 -0.223 0.000 2.349 1281 N HA 0.042 4.781 4.740 -0.001 0.000 0.202 1281 N C 1.770 177.014 175.510 -0.445 0.000 1.041 1281 N CA 0.860 53.720 53.050 -0.317 0.000 0.970 1281 N CB -0.535 37.821 38.487 -0.218 0.000 1.173 1281 N HN 0.027 nan 8.380 nan 0.000 0.493 1282 A N 0.854 123.512 122.820 -0.270 0.000 2.125 1282 A HA 0.019 4.338 4.320 -0.001 0.000 0.219 1282 A C 1.882 179.408 177.584 -0.097 0.000 1.156 1282 A CA 1.064 52.984 52.037 -0.195 0.000 0.671 1282 A CB -0.405 18.521 19.000 -0.124 0.000 0.794 1282 A HN 0.268 nan 8.150 nan 0.000 0.459 1283 L N -3.817 117.345 121.223 -0.103 0.000 2.858 1283 L HA 0.231 4.570 4.340 -0.001 0.000 0.251 1283 L C -0.165 176.802 176.870 0.161 0.000 1.149 1283 L CA -0.247 54.617 54.840 0.041 0.000 0.955 1283 L CB 0.281 42.322 42.059 -0.029 0.000 1.289 1283 L HN 0.418 nan 8.230 nan 0.000 0.542 1284 Y N 0.423 120.703 120.300 -0.034 0.000 3.929 1284 Y HA -0.270 4.279 4.550 -0.001 0.000 0.225 1284 Y C 1.480 177.380 175.900 -0.001 0.000 1.200 1284 Y CA 0.722 58.814 58.100 -0.014 0.000 1.791 1284 Y CB -1.974 36.486 38.460 -0.000 0.000 1.561 1284 Y HN 0.381 nan 8.280 nan 0.000 0.657 1285 G N -1.014 107.817 108.800 0.053 0.000 2.155 1285 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.257 1285 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.257 1285 G C 0.834 175.768 174.900 0.057 0.000 0.983 1285 G CA 1.119 46.243 45.100 0.039 0.000 0.676 1285 G HN 1.139 nan 8.290 nan 0.000 0.528 1286 T N -2.915 111.683 114.554 0.072 0.000 3.129 1286 T HA 0.455 4.805 4.350 -0.001 0.000 0.251 1286 T C 0.795 175.497 174.700 0.003 0.000 1.117 1286 T CA 1.152 63.291 62.100 0.064 0.000 1.034 1286 T CB 0.357 69.272 68.868 0.078 0.000 0.968 1286 T HN 0.631 nan 8.240 nan 0.000 0.526 1287 Q N 0.127 119.923 119.800 -0.008 0.000 2.528 1287 Q HA 0.537 4.877 4.340 -0.001 0.000 0.289 1287 Q C -1.155 174.842 176.000 -0.006 0.000 1.091 1287 Q CA -1.019 54.772 55.803 -0.021 0.000 0.797 1287 Q CB 1.984 30.692 28.738 -0.050 0.000 1.466 1287 Q HN 0.297 nan 8.270 nan 0.000 0.436 1288 Q N 0.330 120.141 119.800 0.018 0.000 2.306 1288 Q HA 0.455 4.795 4.340 -0.001 0.000 0.265 1288 Q C -0.889 175.095 176.000 -0.027 0.000 1.022 1288 Q CA -0.723 55.104 55.803 0.040 0.000 0.853 1288 Q CB 2.426 31.242 28.738 0.131 0.000 1.327 1288 Q HN 0.319 nan 8.270 nan 0.000 0.449 1289 V N 1.711 121.602 119.914 -0.038 0.000 2.673 1289 V HA 0.186 4.306 4.120 -0.001 0.000 0.303 1289 V C -0.085 175.882 176.094 -0.213 0.000 1.046 1289 V CA 0.180 62.413 62.300 -0.111 0.000 1.126 1289 V CB 0.750 32.543 31.823 -0.051 0.000 0.934 1289 V HN 0.816 nan 8.190 nan 0.000 0.487 1290 A N 3.732 126.286 122.820 -0.444 0.000 2.304 1290 A HA 0.590 4.909 4.320 -0.001 0.000 0.323 1290 A C 0.345 177.783 177.584 -0.242 0.000 1.195 1290 A CA -0.590 51.011 52.037 -0.725 0.000 0.826 1290 A CB 0.635 18.820 19.000 -1.358 0.000 1.184 1290 A HN 0.830 nan 8.150 nan 0.000 0.496 1291 D N 0.778 121.160 120.400 -0.031 0.000 2.392 1291 D HA 0.080 4.720 4.640 -0.001 0.000 0.206 1291 D C 0.458 176.833 176.300 0.124 0.000 1.046 1291 D CA 1.423 55.450 54.000 0.044 0.000 0.865 1291 D CB 0.645 41.499 40.800 0.090 0.000 0.969 1291 D HN 0.678 nan 8.370 nan 0.000 0.509 1292 T N -1.552 113.095 114.554 0.155 0.000 2.906 1292 T HA 0.291 4.641 4.350 -0.001 0.000 0.295 1292 T C 0.931 175.698 174.700 0.112 0.000 1.061 1292 T CA -0.782 61.435 62.100 0.195 0.000 1.000 1292 T CB 2.417 71.371 68.868 0.142 0.000 1.103 1292 T HN -0.209 nan 8.240 nan 0.000 0.486 1293 L N 0.787 122.020 121.223 0.016 0.000 2.021 1293 L HA 0.172 4.512 4.340 -0.001 0.000 0.215 1293 L C -0.065 176.514 176.870 -0.486 0.000 1.074 1293 L CA 1.784 56.419 54.840 -0.341 0.000 0.760 1293 L CB -0.792 40.984 42.059 -0.472 0.000 0.889 1293 L HN 0.738 nan 8.230 nan 0.000 0.433 1294 F N -0.704 119.262 119.950 0.026 0.000 2.495 1294 F HA 0.616 5.142 4.527 -0.001 0.000 0.327 1294 F C 0.734 176.509 175.800 -0.043 0.000 1.103 1294 F CA -0.793 57.189 58.000 -0.030 0.000 0.949 1294 F CB 0.828 39.783 39.000 -0.076 0.000 1.142 1294 F HN -0.035 nan 8.300 nan 0.000 0.457 1295 A N 4.190 126.924 122.820 -0.143 0.000 2.483 1295 A HA 0.225 4.544 4.320 -0.001 0.000 0.238 1295 A C -1.542 175.947 177.584 -0.158 0.000 1.070 1295 A CA -1.021 50.723 52.037 -0.488 0.000 0.770 1295 A CB -0.259 18.093 19.000 -1.082 0.000 1.008 1295 A HN 0.596 nan 8.150 nan 0.000 0.497 1296 P HA -0.143 nan 4.420 nan 0.000 0.223 1296 P C 1.159 178.406 177.300 -0.087 0.000 1.144 1296 P CA 1.741 64.805 63.100 -0.060 0.000 0.783 1296 P CB -0.126 31.552 31.700 -0.036 0.000 0.771 1297 S N -1.855 113.769 115.700 -0.126 0.000 2.562 1297 S HA 0.048 4.518 4.470 -0.001 0.000 0.221 1297 S C 0.896 175.421 174.600 -0.125 0.000 0.975 1297 S CA -0.225 57.906 58.200 -0.117 0.000 0.918 1297 S CB -1.065 62.062 63.200 -0.122 0.000 0.772 1297 S HN -0.114 nan 8.310 nan 0.000 0.531 1298 V N 3.936 123.769 119.914 -0.134 0.000 2.715 1298 V HA 0.250 4.369 4.120 -0.001 0.000 0.299 1298 V C -2.152 173.823 176.094 -0.198 0.000 1.054 1298 V CA -1.820 60.385 62.300 -0.158 0.000 1.077 1298 V CB 0.331 32.048 31.823 -0.178 0.000 0.972 1298 V HN 0.234 nan 8.190 nan 0.000 0.484 1299 P HA 0.052 nan 4.420 nan 0.000 0.265 1299 P C -0.374 176.702 177.300 -0.373 0.000 1.187 1299 P CA 0.428 63.296 63.100 -0.386 0.000 0.766 1299 P CB -0.048 31.429 31.700 -0.372 0.000 0.820 1300 Y N 0.252 120.440 120.300 -0.186 0.000 4.851 1300 Y HA -0.289 4.261 4.550 -0.000 0.000 0.235 1300 Y C 1.373 177.187 175.900 -0.143 0.000 0.998 1300 Y CA 1.059 59.050 58.100 -0.182 0.000 1.980 1300 Y CB -2.690 35.518 38.460 -0.419 0.000 1.561 1300 Y HN 0.482 nan 8.280 nan 0.000 0.585 1301 A N -0.688 122.104 122.820 -0.046 0.000 2.470 1301 A HA 0.325 4.645 4.320 -0.001 0.000 0.251 1301 A C 0.694 178.282 177.584 0.007 0.000 1.245 1301 A CA 0.183 52.216 52.037 -0.006 0.000 0.932 1301 A CB 0.013 18.988 19.000 -0.042 0.000 1.037 1301 A HN 0.269 nan 8.150 nan 0.000 0.522 1302 N N 1.160 119.854 118.700 -0.010 0.000 2.663 1302 N HA 0.474 5.214 4.740 -0.001 0.000 0.250 1302 N C -0.533 174.984 175.510 0.012 0.000 1.129 1302 N CA 0.254 53.299 53.050 -0.009 0.000 0.995 1302 N CB -0.279 38.193 38.487 -0.024 0.000 1.324 1302 N HN 0.368 nan 8.380 nan 0.000 0.512 1303 L N -0.178 121.053 121.223 0.014 0.000 2.211 1303 L HA 0.637 4.976 4.340 -0.001 0.000 0.259 1303 L C 1.355 178.227 176.870 0.003 0.000 1.031 1303 L CA -1.358 53.497 54.840 0.024 0.000 0.877 1303 L CB 1.173 43.255 42.059 0.039 0.000 1.457 1303 L HN 0.359 nan 8.230 nan 0.000 0.466 1304 G N 0.693 109.496 108.800 0.005 0.000 3.678 1304 G HA2 0.344 4.303 3.960 -0.001 0.000 0.287 1304 G HA3 0.344 4.303 3.960 -0.001 0.000 0.287 1304 G C 0.110 174.989 174.900 -0.036 0.000 1.280 1304 G CA -0.313 44.784 45.100 -0.006 0.000 1.118 1304 G HN 0.202 nan 8.290 nan 0.000 0.563 1305 L N 0.488 121.649 121.223 -0.103 0.000 2.490 1305 L HA 0.156 4.496 4.340 -0.001 0.000 0.274 1305 L C 0.976 177.760 176.870 -0.143 0.000 1.201 1305 L CA -0.084 54.611 54.840 -0.243 0.000 0.869 1305 L CB 0.779 42.466 42.059 -0.620 0.000 1.123 1305 L HN 0.093 nan 8.230 nan 0.000 0.484 1306 K N 5.615 126.007 120.400 -0.013 0.000 2.349 1306 K HA 0.227 4.546 4.320 -0.001 0.000 0.288 1306 K C -2.171 174.543 176.600 0.189 0.000 1.058 1306 K CA -1.533 54.816 56.287 0.102 0.000 0.953 1306 K CB 0.739 33.318 32.500 0.133 0.000 0.997 1306 K HN 0.251 nan 8.250 nan 0.000 0.477 1307 P HA 0.028 nan 4.420 nan 0.000 0.271 1307 P C -1.110 176.224 177.300 0.057 0.000 1.218 1307 P CA -0.272 62.897 63.100 0.114 0.000 0.780 1307 P CB 0.951 32.700 31.700 0.083 0.000 0.901 1308 S N 1.839 117.494 115.700 -0.075 0.000 2.423 1308 S HA 0.260 4.730 4.470 -0.001 0.000 0.317 1308 S C 0.049 174.591 174.600 -0.096 0.000 1.065 1308 S CA -0.403 57.607 58.200 -0.318 0.000 1.111 1308 S CB 0.377 62.995 63.200 -0.970 0.000 0.968 1308 S HN 0.374 nan 8.310 nan 0.000 0.474 1309 Q N 1.467 121.349 119.800 0.136 0.000 2.259 1309 Q HA 0.303 4.643 4.340 -0.001 0.000 0.246 1309 Q C -0.598 175.568 176.000 0.276 0.000 0.920 1309 Q CA -0.619 55.289 55.803 0.175 0.000 0.895 1309 Q CB 0.519 29.351 28.738 0.157 0.000 1.220 1309 Q HN 0.653 nan 8.270 nan 0.000 0.439 1310 Y N 2.814 123.176 120.300 0.105 0.000 2.863 1310 Y HA -0.116 4.434 4.550 -0.001 0.000 0.359 1310 Y C -0.732 175.234 175.900 0.111 0.000 1.312 1310 Y CA 0.947 59.106 58.100 0.100 0.000 1.650 1310 Y CB 0.132 38.618 38.460 0.043 0.000 1.201 1310 Y HN 0.472 nan 8.280 nan 0.000 0.531 1311 D N 8.574 128.787 120.400 -0.311 0.000 2.445 1311 D HA 0.183 4.823 4.640 -0.001 0.000 0.236 1311 D C -2.430 173.663 176.300 -0.344 0.000 1.315 1311 D CA -1.340 52.437 54.000 -0.372 0.000 0.924 1311 D CB 1.385 42.059 40.800 -0.210 0.000 1.447 1311 D HN 0.242 nan 8.370 nan 0.000 0.532 1312 P HA -0.105 nan 4.420 nan 0.000 0.220 1312 P C 1.227 178.430 177.300 -0.161 0.000 1.148 1312 P CA 1.129 64.097 63.100 -0.220 0.000 0.803 1312 P CB 0.538 32.130 31.700 -0.180 0.000 0.782 1313 Q N -0.321 119.367 119.800 -0.187 0.000 2.084 1313 Q HA -0.137 4.203 4.340 -0.001 0.000 0.202 1313 Q C 2.112 178.007 176.000 -0.175 0.000 0.978 1313 Q CA 1.189 56.904 55.803 -0.147 0.000 0.844 1313 Q CB -0.466 28.191 28.738 -0.134 0.000 0.898 1313 Q HN 0.134 nan 8.270 nan 0.000 0.426 1314 K N 0.484 120.721 120.400 -0.272 0.000 2.103 1314 K HA 0.046 4.366 4.320 -0.001 0.000 0.204 1314 K C 2.090 178.514 176.600 -0.295 0.000 1.052 1314 K CA 1.037 57.096 56.287 -0.379 0.000 0.945 1314 K CB -0.323 31.720 32.500 -0.763 0.000 0.722 1314 K HN 0.204 nan 8.250 nan 0.000 0.443 1315 A N 1.946 124.648 122.820 -0.197 0.000 1.908 1315 A HA -0.206 4.113 4.320 -0.001 0.000 0.218 1315 A C 2.073 179.639 177.584 -0.030 0.000 1.181 1315 A CA 1.702 53.723 52.037 -0.026 0.000 0.627 1315 A CB -0.314 18.710 19.000 0.041 0.000 0.818 1315 A HN 0.262 nan 8.150 nan 0.000 0.445 1316 K N -0.483 119.888 120.400 -0.049 0.000 2.057 1316 K HA -0.044 4.275 4.320 -0.001 0.000 0.206 1316 K C 2.348 178.940 176.600 -0.014 0.000 1.050 1316 K CA 1.064 57.337 56.287 -0.023 0.000 0.935 1316 K CB -0.336 32.147 32.500 -0.028 0.000 0.715 1316 K HN 0.446 nan 8.250 nan 0.000 0.439 1317 A N 1.613 124.407 122.820 -0.044 0.000 1.902 1317 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 1317 A C 2.157 179.737 177.584 -0.006 0.000 1.181 1317 A CA 1.238 53.255 52.037 -0.033 0.000 0.623 1317 A CB -0.642 18.320 19.000 -0.063 0.000 0.818 1317 A HN 0.154 nan 8.150 nan 0.000 0.443 1318 L N -1.034 120.184 121.223 -0.008 0.000 2.046 1318 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 1318 L C 2.478 179.391 176.870 0.073 0.000 1.077 1318 L CA 0.648 55.507 54.840 0.031 0.000 0.747 1318 L CB -0.434 41.653 42.059 0.047 0.000 0.896 1318 L HN 0.293 nan 8.230 nan 0.000 0.432 1319 L N -0.410 120.856 121.223 0.072 0.000 1.994 1319 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 1319 L C 2.707 179.697 176.870 0.200 0.000 1.071 1319 L CA 1.715 56.639 54.840 0.140 0.000 0.745 1319 L CB -1.125 40.977 42.059 0.072 0.000 0.892 1319 L HN 0.253 nan 8.230 nan 0.000 0.431 1320 E N -0.312 119.956 120.200 0.114 0.000 2.058 1320 E HA -0.288 4.062 4.350 -0.001 0.000 0.194 1320 E C 2.187 178.824 176.600 0.063 0.000 0.997 1320 E CA 1.151 57.600 56.400 0.082 0.000 0.801 1320 E CB -0.219 29.506 29.700 0.041 0.000 0.746 1320 E HN 0.419 nan 8.360 nan 0.000 0.450 1321 K N 0.498 120.930 120.400 0.054 0.000 2.152 1321 K HA -0.109 4.211 4.320 -0.001 0.000 0.206 1321 K C 1.750 178.381 176.600 0.052 0.000 1.048 1321 K CA 1.214 57.524 56.287 0.039 0.000 0.933 1321 K CB -0.028 32.491 32.500 0.032 0.000 0.721 1321 K HN 0.057 nan 8.250 nan 0.000 0.447 1322 A N -0.356 122.528 122.820 0.106 0.000 2.251 1322 A HA 0.217 4.537 4.320 -0.001 0.000 0.209 1322 A C 1.227 178.825 177.584 0.024 0.000 1.187 1322 A CA 0.765 52.880 52.037 0.130 0.000 0.823 1322 A CB -0.167 19.010 19.000 0.295 0.000 0.846 1322 A HN 0.521 nan 8.150 nan 0.000 0.486 1323 G N -2.608 106.185 108.800 -0.012 0.000 2.157 1323 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.239 1323 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.239 1323 G C -0.198 174.564 174.900 -0.230 0.000 0.982 1323 G CA -0.023 44.989 45.100 -0.146 0.000 0.650 1323 G HN 0.450 nan 8.290 nan 0.000 0.527 1324 W N 2.487 123.781 121.300 -0.011 0.000 2.422 1324 W HA 0.544 5.204 4.660 -0.000 0.000 0.349 1324 W C 1.121 177.634 176.519 -0.010 0.000 1.062 1324 W CA 0.165 57.505 57.345 -0.010 0.000 1.497 1324 W CB 0.446 29.901 29.460 -0.009 0.000 1.407 1324 W HN 0.347 nan 8.180 nan 0.000 0.393 1325 T N -0.074 114.556 114.554 0.125 0.000 2.934 1325 T HA 0.653 5.002 4.350 -0.001 0.000 0.283 1325 T C -0.450 174.307 174.700 0.095 0.000 1.005 1325 T CA -0.986 61.161 62.100 0.078 0.000 1.041 1325 T CB 1.226 70.104 68.868 0.016 0.000 1.042 1325 T HN 0.100 nan 8.240 nan 0.000 0.505 1326 L N 2.984 124.247 121.223 0.067 0.000 2.268 1326 L HA 0.386 4.725 4.340 -0.001 0.000 0.289 1326 L C -2.073 174.819 176.870 0.036 0.000 1.064 1326 L CA -1.714 53.159 54.840 0.056 0.000 0.824 1326 L CB -0.239 41.845 42.059 0.042 0.000 1.202 1326 L HN 0.506 nan 8.230 nan 0.000 0.433 1327 P HA -0.014 nan 4.420 nan 0.000 0.267 1327 P C -0.199 177.111 177.300 0.017 0.000 1.195 1327 P CA -0.223 62.890 63.100 0.021 0.000 0.773 1327 P CB 0.499 32.213 31.700 0.024 0.000 0.837 1328 A N 2.905 125.731 122.820 0.011 0.000 2.573 1328 A HA 0.345 4.664 4.320 -0.001 0.000 0.250 1328 A C 1.591 179.181 177.584 0.010 0.000 1.049 1328 A CA 0.588 52.630 52.037 0.008 0.000 0.767 1328 A CB -1.425 17.578 19.000 0.004 0.000 0.965 1328 A HN 0.947 nan 8.150 nan 0.000 0.514 1329 G N 2.262 111.068 108.800 0.010 0.000 2.296 1329 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.282 1329 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.282 1329 G C 0.200 175.108 174.900 0.013 0.000 1.014 1329 G CA 1.088 46.194 45.100 0.010 0.000 0.812 1329 G HN 0.862 nan 8.290 nan 0.000 0.508 1330 K N -0.788 119.622 120.400 0.017 0.000 2.267 1330 K HA 0.462 4.781 4.320 -0.001 0.000 0.246 1330 K C -0.120 176.494 176.600 0.024 0.000 0.954 1330 K CA -0.715 55.585 56.287 0.021 0.000 0.824 1330 K CB 1.676 34.191 32.500 0.025 0.000 1.167 1330 K HN -0.000 nan 8.250 nan 0.000 0.431 1331 D N 0.408 120.822 120.400 0.023 0.000 2.367 1331 D HA 0.123 4.762 4.640 -0.001 0.000 0.207 1331 D C -0.213 176.104 176.300 0.027 0.000 1.034 1331 D CA 0.231 54.245 54.000 0.023 0.000 0.861 1331 D CB 0.236 41.046 40.800 0.017 0.000 0.943 1331 D HN 0.280 nan 8.370 nan 0.000 0.515 1332 I N 1.330 121.920 120.570 0.033 0.000 2.353 1332 I HA 0.232 4.402 4.170 -0.001 0.000 0.293 1332 I C 0.478 176.641 176.117 0.075 0.000 0.992 1332 I CA -0.577 60.748 61.300 0.041 0.000 1.268 1332 I CB 1.246 39.266 38.000 0.033 0.000 1.387 1332 I HN -0.267 nan 8.210 nan 0.000 0.478 1333 R N 4.571 125.134 120.500 0.106 0.000 2.615 1333 R HA 0.496 4.835 4.340 -0.001 0.000 0.270 1333 R C -0.431 176.067 176.300 0.330 0.000 1.081 1333 R CA -0.596 55.631 56.100 0.211 0.000 1.154 1333 R CB 0.572 31.035 30.300 0.271 0.000 1.063 1333 R HN 0.717 nan 8.270 nan 0.000 0.519 1334 E N 0.347 120.740 120.200 0.322 0.000 2.383 1334 E HA 0.458 4.807 4.350 -0.001 0.000 0.275 1334 E C -1.479 175.051 176.600 -0.117 0.000 0.918 1334 E CA -1.216 55.307 56.400 0.205 0.000 0.764 1334 E CB 2.280 32.025 29.700 0.074 0.000 1.252 1334 E HN 0.383 nan 8.360 nan 0.000 0.449 1335 K N 2.209 122.339 120.400 -0.450 0.000 2.565 1335 K HA 0.239 4.558 4.320 -0.001 0.000 0.251 1335 K C -0.823 175.512 176.600 -0.443 0.000 0.956 1335 K CA -0.501 55.362 56.287 -0.707 0.000 0.809 1335 K CB 1.201 32.729 32.500 -1.619 0.000 1.267 1335 K HN 0.862 nan 8.250 nan 0.000 0.438 1336 N N 2.989 121.521 118.700 -0.280 0.000 2.727 1336 N HA -0.243 4.497 4.740 -0.001 0.000 0.249 1336 N C 0.413 175.852 175.510 -0.118 0.000 1.048 1336 N CA 1.214 54.157 53.050 -0.178 0.000 0.714 1336 N CB -0.756 37.622 38.487 -0.182 0.000 0.959 1336 N HN 1.119 nan 8.380 nan 0.000 0.544 1337 G N -1.190 107.554 108.800 -0.092 0.000 2.179 1337 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.260 1337 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.260 1337 G C -0.308 174.585 174.900 -0.012 0.000 0.977 1337 G CA 0.649 45.723 45.100 -0.043 0.000 0.641 1337 G HN 0.508 nan 8.290 nan 0.000 0.533 1338 Q N 0.599 120.393 119.800 -0.010 0.000 2.337 1338 Q HA 0.506 4.845 4.340 -0.001 0.000 0.266 1338 Q C -2.437 173.678 176.000 0.191 0.000 1.023 1338 Q CA -1.879 53.971 55.803 0.077 0.000 0.829 1338 Q CB 2.826 31.624 28.738 0.099 0.000 1.306 1338 Q HN 0.342 nan 8.270 nan 0.000 0.449 1339 P HA 0.130 nan 4.420 nan 0.000 0.276 1339 P C -0.283 177.189 177.300 0.286 0.000 1.244 1339 P CA -0.693 62.544 63.100 0.228 0.000 0.801 1339 P CB 0.947 32.712 31.700 0.109 0.000 1.006 1340 L N 3.038 124.370 121.223 0.182 0.000 2.384 1340 L HA 0.198 4.538 4.340 -0.001 0.000 0.258 1340 L C 0.224 177.015 176.870 -0.133 0.000 1.266 1340 L CA 0.310 55.023 54.840 -0.212 0.000 1.162 1340 L CB -1.241 40.581 42.059 -0.395 0.000 1.375 1340 L HN 0.232 nan 8.230 nan 0.000 0.420 1341 R N 4.534 124.986 120.500 -0.080 0.000 2.599 1341 R HA 0.683 5.022 4.340 -0.001 0.000 0.295 1341 R C -1.167 175.094 176.300 -0.065 0.000 0.963 1341 R CA -0.807 55.261 56.100 -0.053 0.000 0.883 1341 R CB 2.197 32.492 30.300 -0.008 0.000 1.171 1341 R HN 0.367 nan 8.270 nan 0.000 0.450 1342 I N 1.333 121.867 120.570 -0.060 0.000 2.499 1342 I HA 0.234 4.404 4.170 -0.001 0.000 0.288 1342 I C -0.378 175.724 176.117 -0.025 0.000 1.048 1342 I CA -0.755 60.511 61.300 -0.056 0.000 1.062 1342 I CB 2.489 40.441 38.000 -0.080 0.000 1.238 1342 I HN 0.457 nan 8.210 nan 0.000 0.426 1343 E N 5.805 125.998 120.200 -0.011 0.000 2.289 1343 E HA 0.436 4.786 4.350 -0.001 0.000 0.278 1343 E C -1.233 175.384 176.600 0.028 0.000 1.032 1343 E CA -0.317 56.089 56.400 0.011 0.000 0.854 1343 E CB 1.294 31.002 29.700 0.014 0.000 1.046 1343 E HN 0.412 nan 8.360 nan 0.000 0.409 1344 L N 4.020 125.265 121.223 0.035 0.000 2.406 1344 L HA 0.415 4.755 4.340 -0.001 0.000 0.270 1344 L C -1.166 175.755 176.870 0.086 0.000 0.982 1344 L CA -0.470 54.392 54.840 0.036 0.000 0.843 1344 L CB 1.325 43.393 42.059 0.015 0.000 1.225 1344 L HN 0.600 nan 8.230 nan 0.000 0.412 1345 S N 4.141 119.871 115.700 0.050 0.000 2.508 1345 S HA 0.769 5.238 4.470 -0.001 0.000 0.284 1345 S C -0.544 174.133 174.600 0.128 0.000 1.192 1345 S CA -0.638 57.551 58.200 -0.019 0.000 1.070 1345 S CB 1.486 64.669 63.200 -0.027 0.000 1.004 1345 S HN 0.504 nan 8.310 nan 0.000 0.493 1346 F N -0.290 119.729 119.950 0.115 0.000 2.664 1346 F HA 0.698 5.225 4.527 -0.000 0.000 0.317 1346 F C -0.719 175.131 175.800 0.084 0.000 1.108 1346 F CA -2.018 56.083 58.000 0.168 0.000 0.957 1346 F CB 0.714 39.877 39.000 0.271 0.000 1.365 1346 F HN 0.615 nan 8.300 nan 0.000 0.475 1347 I N 1.960 122.696 120.570 0.277 0.000 2.471 1347 I HA 0.464 4.634 4.170 -0.001 0.000 0.286 1347 I C 1.119 177.373 176.117 0.228 0.000 1.079 1347 I CA 0.231 61.614 61.300 0.139 0.000 1.398 1347 I CB 1.205 39.261 38.000 0.093 0.000 1.403 1347 I HN 0.892 nan 8.210 nan 0.000 0.530 1348 G N 3.951 112.794 108.800 0.072 0.000 2.421 1348 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.217 1348 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.217 1348 G C 1.198 176.177 174.900 0.132 0.000 1.143 1348 G CA 0.953 46.122 45.100 0.115 0.000 0.784 1348 G HN 0.774 nan 8.290 nan 0.000 0.541 1349 T N -1.970 112.629 114.554 0.075 0.000 3.118 1349 T HA 0.062 4.412 4.350 -0.001 0.000 0.260 1349 T C 0.611 175.331 174.700 0.033 0.000 1.139 1349 T CA 0.420 62.546 62.100 0.044 0.000 1.085 1349 T CB 0.250 69.129 68.868 0.018 0.000 0.934 1349 T HN 0.132 nan 8.240 nan 0.000 0.518 1350 D N 1.145 121.578 120.400 0.055 0.000 2.428 1350 D HA 0.548 5.188 4.640 -0.001 0.000 0.221 1350 D C 1.240 177.528 176.300 -0.020 0.000 1.123 1350 D CA -0.302 53.701 54.000 0.005 0.000 0.869 1350 D CB 1.193 41.993 40.800 -0.000 0.000 1.032 1350 D HN 0.140 nan 8.370 nan 0.000 0.506 1351 A N 5.057 127.852 122.820 -0.041 0.000 1.978 1351 A HA -0.166 4.154 4.320 -0.001 0.000 0.220 1351 A C 2.058 179.575 177.584 -0.111 0.000 1.170 1351 A CA 0.766 52.767 52.037 -0.060 0.000 0.636 1351 A CB -0.369 18.602 19.000 -0.048 0.000 0.810 1351 A HN 0.675 nan 8.150 nan 0.000 0.448 1352 L N -0.791 120.353 121.223 -0.132 0.000 2.023 1352 L HA -0.095 4.244 4.340 -0.001 0.000 0.205 1352 L C 2.586 179.290 176.870 -0.277 0.000 1.073 1352 L CA 2.172 56.907 54.840 -0.175 0.000 0.745 1352 L CB -0.768 41.187 42.059 -0.173 0.000 0.900 1352 L HN 0.390 nan 8.230 nan 0.000 0.435 1353 S N -0.245 115.265 115.700 -0.317 0.000 2.368 1353 S HA -0.231 4.239 4.470 -0.001 0.000 0.225 1353 S C 1.856 176.075 174.600 -0.635 0.000 1.030 1353 S CA 1.682 59.573 58.200 -0.516 0.000 0.999 1353 S CB -0.057 62.920 63.200 -0.372 0.000 0.844 1353 S HN 0.353 nan 8.310 nan 0.000 0.459 1354 K N 0.933 120.972 120.400 -0.603 0.000 2.032 1354 K HA -0.084 4.236 4.320 -0.001 0.000 0.209 1354 K C 2.157 178.485 176.600 -0.453 0.000 1.048 1354 K CA 1.762 57.575 56.287 -0.789 0.000 0.927 1354 K CB -0.301 32.035 32.500 -0.273 0.000 0.712 1354 K HN 0.181 nan 8.250 nan 0.000 0.441 1355 S N 0.585 116.118 115.700 -0.278 0.000 2.368 1355 S HA -0.080 4.389 4.470 -0.001 0.000 0.224 1355 S C 1.879 176.380 174.600 -0.165 0.000 1.029 1355 S CA 1.397 59.492 58.200 -0.175 0.000 0.988 1355 S CB -0.140 62.985 63.200 -0.124 0.000 0.838 1355 S HN 0.318 nan 8.310 nan 0.000 0.462 1356 M N 0.937 120.414 119.600 -0.206 0.000 2.086 1356 M HA -0.117 4.363 4.480 -0.001 0.000 0.261 1356 M C 2.532 178.839 176.300 0.012 0.000 1.067 1356 M CA 1.469 56.694 55.300 -0.125 0.000 1.116 1356 M CB -0.618 31.837 32.600 -0.242 0.000 1.348 1356 M HN 0.412 nan 8.290 nan 0.000 0.407 1357 A N 0.347 123.160 122.820 -0.012 0.000 1.883 1357 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 1357 A C 1.856 179.424 177.584 -0.026 0.000 1.186 1357 A CA 2.057 54.117 52.037 0.037 0.000 0.624 1357 A CB -0.845 18.006 19.000 -0.247 0.000 0.822 1357 A HN 0.541 nan 8.150 nan 0.000 0.444 1358 E N -0.420 119.724 120.200 -0.093 0.000 2.085 1358 E HA -0.167 4.183 4.350 -0.001 0.000 0.194 1358 E C 1.867 178.449 176.600 -0.029 0.000 0.994 1358 E CA 1.341 57.716 56.400 -0.042 0.000 0.801 1358 E CB -0.284 29.386 29.700 -0.050 0.000 0.743 1358 E HN 0.718 nan 8.360 nan 0.000 0.453 1359 I N 0.460 121.005 120.570 -0.042 0.000 2.315 1359 I HA -0.241 3.928 4.170 -0.001 0.000 0.248 1359 I C 2.202 178.304 176.117 -0.026 0.000 1.117 1359 I CA 0.931 62.206 61.300 -0.042 0.000 1.404 1359 I CB -0.133 37.830 38.000 -0.061 0.000 1.071 1359 I HN 0.122 nan 8.210 nan 0.000 0.419 1360 I N 0.281 120.847 120.570 -0.005 0.000 2.353 1360 I HA -0.232 3.938 4.170 -0.001 0.000 0.248 1360 I C 2.764 178.877 176.117 -0.006 0.000 1.119 1360 I CA 0.888 62.185 61.300 -0.004 0.000 1.417 1360 I CB -0.316 37.690 38.000 0.009 0.000 1.078 1360 I HN 0.135 nan 8.210 nan 0.000 0.421 1361 R N 1.254 121.755 120.500 0.002 0.000 2.094 1361 R HA -0.258 4.081 4.340 -0.001 0.000 0.239 1361 R C 2.333 178.635 176.300 0.003 0.000 1.137 1361 R CA 2.066 58.169 56.100 0.006 0.000 0.943 1361 R CB -0.360 29.953 30.300 0.022 0.000 0.850 1361 R HN 0.369 nan 8.270 nan 0.000 0.433 1362 A N 0.924 123.744 122.820 -0.001 0.000 1.902 1362 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 1362 A C 1.726 179.315 177.584 0.007 0.000 1.181 1362 A CA 1.914 53.951 52.037 -0.000 0.000 0.623 1362 A CB -0.551 18.443 19.000 -0.009 0.000 0.818 1362 A HN 0.423 nan 8.150 nan 0.000 0.443 1363 D N -0.466 119.936 120.400 0.003 0.000 2.117 1363 D HA -0.122 4.517 4.640 -0.001 0.000 0.197 1363 D C 2.014 178.342 176.300 0.048 0.000 0.987 1363 D CA 1.386 55.404 54.000 0.030 0.000 0.829 1363 D CB -0.325 40.481 40.800 0.010 0.000 0.961 1363 D HN 0.475 nan 8.370 nan 0.000 0.460 1364 M N -0.267 119.345 119.600 0.021 0.000 2.254 1364 M HA -0.054 4.425 4.480 -0.001 0.000 0.265 1364 M C 2.209 178.510 176.300 0.001 0.000 1.066 1364 M CA 0.687 55.991 55.300 0.007 0.000 1.123 1364 M CB 0.018 32.607 32.600 -0.018 0.000 1.388 1364 M HN -0.107 nan 8.290 nan 0.000 0.425 1365 R N 0.329 120.832 120.500 0.005 0.000 2.120 1365 R HA -0.155 4.185 4.340 -0.001 0.000 0.234 1365 R C 1.987 178.295 176.300 0.013 0.000 1.123 1365 R CA 1.219 57.323 56.100 0.005 0.000 0.975 1365 R CB 0.020 30.324 30.300 0.008 0.000 0.866 1365 R HN 0.305 nan 8.270 nan 0.000 0.446 1366 Q N -0.038 119.777 119.800 0.025 0.000 2.439 1366 Q HA -0.090 4.250 4.340 -0.001 0.000 0.211 1366 Q C 1.430 177.444 176.000 0.023 0.000 0.978 1366 Q CA 0.931 56.753 55.803 0.031 0.000 0.897 1366 Q CB 0.264 29.036 28.738 0.057 0.000 0.956 1366 Q HN 0.479 nan 8.270 nan 0.000 0.483 1367 I N -1.507 119.073 120.570 0.017 0.000 4.154 1367 I HA 0.096 4.265 4.170 -0.001 0.000 0.334 1367 I C 0.540 176.653 176.117 -0.006 0.000 1.371 1367 I CA 0.517 61.820 61.300 0.005 0.000 1.110 1367 I CB 0.646 38.653 38.000 0.011 0.000 1.085 1367 I HN 0.246 nan 8.210 nan 0.000 0.398 1368 G N 2.026 110.824 108.800 -0.004 0.000 2.141 1368 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.231 1368 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.231 1368 G C 0.299 175.181 174.900 -0.030 0.000 0.984 1368 G CA 0.102 45.200 45.100 -0.002 0.000 0.660 1368 G HN 0.513 nan 8.290 nan 0.000 0.525 1369 A N 0.067 122.854 122.820 -0.054 0.000 2.292 1369 A HA 0.644 4.963 4.320 -0.001 0.000 0.319 1369 A C -0.269 177.285 177.584 -0.051 0.000 1.206 1369 A CA 0.068 52.052 52.037 -0.089 0.000 0.835 1369 A CB 1.023 19.954 19.000 -0.116 0.000 1.164 1369 A HN 0.376 nan 8.150 nan 0.000 0.505 1370 D N 2.468 122.839 120.400 -0.048 0.000 2.428 1370 D HA 0.299 4.939 4.640 -0.001 0.000 0.221 1370 D C -0.498 175.787 176.300 -0.024 0.000 1.123 1370 D CA 0.014 54.001 54.000 -0.021 0.000 0.869 1370 D CB 1.209 42.005 40.800 -0.008 0.000 1.032 1370 D HN 0.350 nan 8.370 nan 0.000 0.506 1371 V N 3.338 123.244 119.914 -0.014 0.000 2.406 1371 V HA 0.428 4.547 4.120 -0.001 0.000 0.272 1371 V C -0.266 175.839 176.094 0.019 0.000 1.043 1371 V CA -0.472 61.825 62.300 -0.005 0.000 0.915 1371 V CB 1.294 33.110 31.823 -0.013 0.000 0.988 1371 V HN 0.487 nan 8.190 nan 0.000 0.466 1372 S N 7.509 123.220 115.700 0.020 0.000 2.399 1372 S HA 0.504 4.973 4.470 -0.001 0.000 0.301 1372 S C -0.490 174.143 174.600 0.055 0.000 1.093 1372 S CA -0.698 57.520 58.200 0.031 0.000 1.077 1372 S CB 0.073 63.281 63.200 0.014 0.000 0.980 1372 S HN 0.699 nan 8.310 nan 0.000 0.494 1373 L N 6.391 127.672 121.223 0.097 0.000 2.360 1373 L HA 0.447 4.786 4.340 -0.001 0.000 0.276 1373 L C 0.063 176.952 176.870 0.033 0.000 1.121 1373 L CA 0.316 55.264 54.840 0.180 0.000 0.845 1373 L CB 0.663 42.929 42.059 0.345 0.000 1.143 1373 L HN 0.616 nan 8.230 nan 0.000 0.452 1374 I N 3.101 123.602 120.570 -0.115 0.000 2.411 1374 I HA 0.304 4.473 4.170 -0.001 0.000 0.284 1374 I C 0.625 176.378 176.117 -0.606 0.000 1.012 1374 I CA -0.520 60.636 61.300 -0.239 0.000 1.119 1374 I CB 1.700 39.619 38.000 -0.135 0.000 1.261 1374 I HN 0.632 nan 8.210 nan 0.000 0.448 1375 G N 5.559 114.004 108.800 -0.591 0.000 2.338 1375 G HA2 0.507 4.466 3.960 -0.001 0.000 0.295 1375 G HA3 0.507 4.466 3.960 -0.001 0.000 0.295 1375 G C -0.438 174.268 174.900 -0.323 0.000 1.132 1375 G CA -0.084 44.600 45.100 -0.694 0.000 0.922 1375 G HN 0.685 nan 8.290 nan 0.000 0.427 1376 E N 0.597 120.632 120.200 -0.274 0.000 2.429 1376 E HA 0.193 4.543 4.350 -0.001 0.000 0.276 1376 E C -0.449 176.115 176.600 -0.059 0.000 0.953 1376 E CA -0.837 55.487 56.400 -0.126 0.000 0.787 1376 E CB 2.210 31.846 29.700 -0.107 0.000 1.307 1376 E HN 0.742 nan 8.360 nan 0.000 0.458 1377 E N 1.884 122.068 120.200 -0.028 0.000 2.390 1377 E HA 0.034 4.383 4.350 -0.001 0.000 0.261 1377 E C 0.409 177.017 176.600 0.012 0.000 1.076 1377 E CA -0.325 56.073 56.400 -0.004 0.000 0.905 1377 E CB 0.962 30.662 29.700 -0.000 0.000 0.984 1377 E HN 0.482 nan 8.360 nan 0.000 0.427 1378 E N 1.223 121.434 120.200 0.018 0.000 2.246 1378 E HA -0.393 3.957 4.350 -0.001 0.000 0.232 1378 E C 2.003 178.640 176.600 0.061 0.000 1.087 1378 E CA 2.859 59.277 56.400 0.030 0.000 0.964 1378 E CB -0.348 29.356 29.700 0.007 0.000 0.827 1378 E HN 0.761 nan 8.360 nan 0.000 0.476 1379 S N -0.184 115.547 115.700 0.053 0.000 2.368 1379 S HA -0.131 4.339 4.470 -0.001 0.000 0.225 1379 S C 2.247 176.919 174.600 0.120 0.000 1.030 1379 S CA 1.810 60.064 58.200 0.091 0.000 0.999 1379 S CB -0.167 63.064 63.200 0.052 0.000 0.844 1379 S HN 0.118 nan 8.310 nan 0.000 0.459 1380 S N 1.221 116.959 115.700 0.062 0.000 2.356 1380 S HA 0.010 4.480 4.470 -0.001 0.000 0.223 1380 S C 1.861 176.485 174.600 0.039 0.000 1.032 1380 S CA 1.385 59.608 58.200 0.039 0.000 1.005 1380 S CB -0.529 62.675 63.200 0.006 0.000 0.867 1380 S HN 0.537 nan 8.310 nan 0.000 0.449 1381 I N 0.488 121.084 120.570 0.044 0.000 2.142 1381 I HA -0.179 3.991 4.170 -0.001 0.000 0.240 1381 I C 2.183 178.332 176.117 0.054 0.000 1.078 1381 I CA 1.598 62.919 61.300 0.035 0.000 1.343 1381 I CB -1.553 36.471 38.000 0.040 0.000 1.046 1381 I HN 0.403 nan 8.210 nan 0.000 0.405 1382 Y N 2.299 122.594 120.300 -0.008 0.000 2.151 1382 Y HA -0.293 4.256 4.550 -0.001 0.000 0.284 1382 Y C 2.594 178.509 175.900 0.025 0.000 1.166 1382 Y CA 1.996 60.097 58.100 0.002 0.000 1.163 1382 Y CB -0.410 38.050 38.460 -0.001 0.000 0.974 1382 Y HN 0.131 nan 8.280 nan 0.000 0.511 1383 A N 0.312 123.073 122.820 -0.097 0.000 1.898 1383 A HA -0.154 4.166 4.320 -0.001 0.000 0.216 1383 A C 2.376 179.893 177.584 -0.112 0.000 1.181 1383 A CA 1.581 53.521 52.037 -0.161 0.000 0.620 1383 A CB -0.753 18.239 19.000 -0.013 0.000 0.819 1383 A HN 0.530 nan 8.150 nan 0.000 0.442 1384 R N -0.532 119.947 120.500 -0.035 0.000 2.083 1384 R HA -0.189 4.151 4.340 -0.001 0.000 0.237 1384 R C 2.508 178.877 176.300 0.115 0.000 1.137 1384 R CA 1.949 58.074 56.100 0.041 0.000 0.951 1384 R CB -0.301 30.034 30.300 0.058 0.000 0.851 1384 R HN 0.723 nan 8.270 nan 0.000 0.434 1385 Q N -0.272 119.530 119.800 0.003 0.000 1.985 1385 Q HA -0.227 4.113 4.340 -0.001 0.000 0.207 1385 Q C 2.214 178.248 176.000 0.057 0.000 0.996 1385 Q CA 1.907 57.708 55.803 -0.004 0.000 0.851 1385 Q CB -0.199 28.447 28.738 -0.153 0.000 0.921 1385 Q HN 0.312 nan 8.270 nan 0.000 0.418 1386 R N 0.470 120.883 120.500 -0.144 0.000 2.103 1386 R HA -0.165 4.175 4.340 -0.001 0.000 0.242 1386 R C 1.505 177.792 176.300 -0.021 0.000 1.142 1386 R CA 1.486 57.510 56.100 -0.127 0.000 0.960 1386 R CB -0.211 29.927 30.300 -0.270 0.000 0.858 1386 R HN 0.322 nan 8.270 nan 0.000 0.439 1387 D N -1.228 119.166 120.400 -0.011 0.000 2.347 1387 D HA 0.041 4.680 4.640 -0.001 0.000 0.213 1387 D C 1.150 177.456 176.300 0.011 0.000 0.985 1387 D CA 1.018 55.018 54.000 -0.000 0.000 0.879 1387 D CB 0.248 41.042 40.800 -0.010 0.000 0.919 1387 D HN 0.448 nan 8.370 nan 0.000 0.526 1388 G N 1.380 110.219 108.800 0.066 0.000 2.155 1388 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.257 1388 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.257 1388 G C 0.608 175.370 174.900 -0.230 0.000 0.983 1388 G CA -0.116 44.923 45.100 -0.101 0.000 0.676 1388 G HN 0.349 nan 8.290 nan 0.000 0.528 1389 R N -0.029 120.459 120.500 -0.019 0.000 4.609 1389 R HA 0.452 4.792 4.340 -0.001 0.000 0.235 1389 R C 0.046 176.389 176.300 0.072 0.000 1.836 1389 R CA 0.256 56.341 56.100 -0.025 0.000 1.564 1389 R CB -0.498 29.806 30.300 0.008 0.000 1.382 1389 R HN 0.562 nan 8.270 nan 0.000 0.776 1390 F N -4.674 115.245 119.950 -0.051 0.000 2.599 1390 F HA 0.631 5.157 4.527 -0.001 0.000 0.311 1390 F C 0.769 176.531 175.800 -0.063 0.000 1.076 1390 F CA -1.359 56.607 58.000 -0.056 0.000 0.937 1390 F CB 0.931 39.896 39.000 -0.058 0.000 1.282 1390 F HN -0.077 nan 8.300 nan 0.000 0.460 1391 G N 1.211 110.065 108.800 0.089 0.000 2.486 1391 G HA2 0.307 4.267 3.960 -0.001 0.000 0.210 1391 G HA3 0.307 4.267 3.960 -0.001 0.000 0.210 1391 G C -0.025 174.956 174.900 0.135 0.000 1.168 1391 G CA 0.028 45.125 45.100 -0.004 0.000 0.820 1391 G HN 0.498 nan 8.290 nan 0.000 0.544 1392 M N -0.293 119.425 119.600 0.196 0.000 2.550 1392 M HA 0.596 5.076 4.480 -0.001 0.000 0.292 1392 M C -1.972 174.330 176.300 0.004 0.000 1.221 1392 M CA -0.588 54.774 55.300 0.104 0.000 0.873 1392 M CB 3.242 35.806 32.600 -0.060 0.000 1.727 1392 M HN -0.005 nan 8.290 nan 0.000 0.459 1393 I N 1.006 121.485 120.570 -0.151 0.000 2.619 1393 I HA 0.469 4.638 4.170 -0.001 0.000 0.292 1393 I C -1.290 174.709 176.117 -0.196 0.000 1.100 1393 I CA -0.157 60.987 61.300 -0.261 0.000 1.043 1393 I CB 1.995 39.637 38.000 -0.597 0.000 1.239 1393 I HN 0.490 nan 8.210 nan 0.000 0.420 1394 F N 5.538 125.502 119.950 0.024 0.000 2.506 1394 F HA 0.342 4.868 4.527 -0.001 0.000 0.351 1394 F C 0.233 176.109 175.800 0.127 0.000 1.136 1394 F CA 0.731 58.768 58.000 0.061 0.000 1.298 1394 F CB 0.435 39.466 39.000 0.052 0.000 1.145 1394 F HN 0.450 nan 8.300 nan 0.000 0.593 1395 H N 1.534 120.726 119.070 0.202 0.000 3.068 1395 H HA 0.501 5.057 4.556 -0.001 0.000 0.342 1395 H C -1.266 174.095 175.328 0.056 0.000 1.284 1395 H CA -1.322 54.796 56.048 0.117 0.000 1.181 1395 H CB 1.414 31.242 29.762 0.111 0.000 1.898 1395 H HN 0.636 nan 8.280 nan 0.000 0.540 1396 R N 0.703 121.033 120.500 -0.284 0.000 2.837 1396 R HA 0.648 4.988 4.340 -0.001 0.000 0.271 1396 R C -0.509 175.447 176.300 -0.572 0.000 0.993 1396 R CA -0.775 55.137 56.100 -0.314 0.000 0.931 1396 R CB 1.413 31.630 30.300 -0.138 0.000 1.206 1396 R HN 0.640 nan 8.270 nan 0.000 0.474 1397 T N -2.453 111.688 114.554 -0.689 0.000 2.732 1397 T HA 0.180 4.530 4.350 -0.001 0.000 0.287 1397 T C 0.085 174.610 174.700 -0.292 0.000 0.993 1397 T CA -0.536 60.970 62.100 -0.991 0.000 0.966 1397 T CB 0.475 68.744 68.868 -0.998 0.000 1.047 1397 T HN 0.696 nan 8.240 nan 0.000 0.527 1398 W N 0.289 121.482 121.300 -0.179 0.000 3.127 1398 W HA 0.490 5.150 4.660 -0.001 0.000 0.344 1398 W C 1.268 177.785 176.519 -0.004 0.000 1.151 1398 W CA -0.063 57.182 57.345 -0.167 0.000 1.765 1398 W CB -1.504 27.718 29.460 -0.396 0.000 1.085 1398 W HN 1.392 nan 8.180 nan 0.000 0.596 1399 G N 1.176 110.118 108.800 0.236 0.000 2.828 1399 G HA2 0.084 4.043 3.960 -0.001 0.000 0.463 1399 G HA3 0.084 4.043 3.960 -0.001 0.000 0.463 1399 G C -0.047 175.027 174.900 0.290 0.000 1.394 1399 G CA -0.618 44.612 45.100 0.216 0.000 0.862 1399 G HN 0.421 nan 8.290 nan 0.000 0.540 1400 A N 0.560 123.494 122.820 0.189 0.000 2.407 1400 A HA 0.713 5.033 4.320 -0.001 0.000 0.248 1400 A C -0.475 177.079 177.584 -0.051 0.000 1.082 1400 A CA -0.179 51.921 52.037 0.105 0.000 0.785 1400 A CB 0.580 19.689 19.000 0.182 0.000 1.020 1400 A HN 0.758 nan 8.150 nan 0.000 0.489 1401 P HA 0.074 nan 4.420 nan 0.000 0.257 1401 P C 0.145 177.398 177.300 -0.078 0.000 1.325 1401 P CA 0.593 63.421 63.100 -0.454 0.000 0.850 1401 P CB -0.105 31.019 31.700 -0.961 0.000 1.324 1402 Y N 0.067 120.429 120.300 0.104 0.000 2.314 1402 Y HA -0.026 4.523 4.550 -0.001 0.000 0.293 1402 Y C 0.880 176.854 175.900 0.124 0.000 1.129 1402 Y CA 0.685 58.909 58.100 0.206 0.000 1.201 1402 Y CB -0.536 38.216 38.460 0.486 0.000 0.999 1402 Y HN -0.051 nan 8.280 nan 0.000 0.541 1403 D N 0.750 121.295 120.400 0.240 0.000 2.198 1403 D HA 0.137 4.776 4.640 -0.001 0.000 0.245 1403 D C -1.634 174.572 176.300 -0.158 0.000 1.079 1403 D CA -1.964 52.045 54.000 0.016 0.000 0.854 1403 D CB 1.368 42.193 40.800 0.042 0.000 1.148 1403 D HN 0.070 nan 8.370 nan 0.000 0.456 1404 P HA -0.061 nan 4.420 nan 0.000 0.234 1404 P C 1.231 178.554 177.300 0.038 0.000 1.175 1404 P CA 0.604 63.392 63.100 -0.520 0.000 0.801 1404 P CB 0.211 31.417 31.700 -0.823 0.000 0.891 1405 H N 0.839 119.976 119.070 0.111 0.000 2.353 1405 H HA 0.047 4.603 4.556 -0.001 0.000 0.300 1405 H C 1.498 176.995 175.328 0.283 0.000 1.090 1405 H CA 1.770 57.963 56.048 0.243 0.000 1.327 1405 H CB -0.733 29.110 29.762 0.134 0.000 1.383 1405 H HN 0.029 nan 8.280 nan 0.000 0.508 1406 A N 0.737 123.199 122.820 -0.597 0.000 1.935 1406 A HA -0.005 4.315 4.320 -0.001 0.000 0.214 1406 A C 2.374 180.110 177.584 0.253 0.000 1.178 1406 A CA 0.572 52.536 52.037 -0.123 0.000 0.640 1406 A CB -1.109 18.036 19.000 0.242 0.000 0.825 1406 A HN 0.409 nan 8.150 nan 0.000 0.447 1407 F N 0.706 120.638 119.950 -0.029 0.000 2.134 1407 F HA -0.145 4.381 4.527 -0.000 0.000 0.299 1407 F C 1.949 177.733 175.800 -0.026 0.000 1.097 1407 F CA 1.552 59.343 58.000 -0.348 0.000 1.264 1407 F CB -0.046 38.741 39.000 -0.355 0.000 1.001 1407 F HN 0.121 nan 8.300 nan 0.000 0.479 1408 L N -1.075 120.285 121.223 0.228 0.000 2.027 1408 L HA -0.233 4.107 4.340 -0.001 0.000 0.206 1408 L C 2.734 179.693 176.870 0.148 0.000 1.074 1408 L CA 1.582 56.554 54.840 0.221 0.000 0.745 1408 L CB -1.113 41.155 42.059 0.349 0.000 0.898 1408 L HN 0.190 nan 8.230 nan 0.000 0.433 1409 S N 0.003 115.814 115.700 0.184 0.000 2.374 1409 S HA -0.234 4.236 4.470 -0.001 0.000 0.227 1409 S C 2.111 176.832 174.600 0.200 0.000 1.037 1409 S CA 2.036 60.360 58.200 0.206 0.000 1.024 1409 S CB -0.231 63.120 63.200 0.251 0.000 0.861 1409 S HN 0.592 nan 8.310 nan 0.000 0.456 1410 S N 0.157 115.981 115.700 0.207 0.000 2.603 1410 S HA 0.144 4.613 4.470 -0.001 0.000 0.220 1410 S C 1.649 176.341 174.600 0.153 0.000 0.967 1410 S CA 0.366 58.726 58.200 0.267 0.000 0.920 1410 S CB -0.504 62.996 63.200 0.500 0.000 0.773 1410 S HN 0.594 nan 8.310 nan 0.000 0.529 1411 M N 0.747 120.379 119.600 0.054 0.000 2.549 1411 M HA 0.078 4.557 4.480 -0.001 0.000 0.260 1411 M C 1.998 178.454 176.300 0.260 0.000 1.076 1411 M CA 0.922 56.290 55.300 0.113 0.000 1.090 1411 M CB -0.252 32.405 32.600 0.095 0.000 1.418 1411 M HN 0.306 nan 8.290 nan 0.000 0.486 1412 R N -0.207 120.434 120.500 0.235 0.000 2.299 1412 R HA 0.118 4.458 4.340 -0.001 0.000 0.197 1412 R C 0.036 176.420 176.300 0.139 0.000 0.971 1412 R CA 0.105 56.362 56.100 0.262 0.000 1.030 1412 R CB -0.004 30.401 30.300 0.175 0.000 0.932 1412 R HN 0.128 nan 8.270 nan 0.000 0.477 1413 V N 2.916 122.886 119.914 0.093 0.000 2.408 1413 V HA 0.106 4.226 4.120 -0.001 0.000 0.267 1413 V C -1.650 174.213 176.094 -0.386 0.000 1.047 1413 V CA -1.355 60.881 62.300 -0.107 0.000 0.937 1413 V CB 1.515 33.361 31.823 0.038 0.000 0.999 1413 V HN -0.018 nan 8.190 nan 0.000 0.472 1414 P HA -0.047 nan 4.420 nan 0.000 0.223 1414 P C 1.534 178.545 177.300 -0.483 0.000 1.151 1414 P CA 0.826 63.151 63.100 -1.292 0.000 0.787 1414 P CB 0.329 31.444 31.700 -0.976 0.000 0.788 1415 S N -2.288 113.181 115.700 -0.384 0.000 2.561 1415 S HA 0.018 4.487 4.470 -0.001 0.000 0.225 1415 S C 0.505 175.038 174.600 -0.111 0.000 0.977 1415 S CA 0.277 58.308 58.200 -0.281 0.000 0.926 1415 S CB -0.678 62.282 63.200 -0.399 0.000 0.769 1415 S HN 0.311 nan 8.310 nan 0.000 0.533 1416 H N -2.007 117.082 119.070 0.031 0.000 2.771 1416 H HA 0.510 5.065 4.556 -0.000 0.000 0.367 1416 H C 1.096 176.484 175.328 0.100 0.000 1.172 1416 H CA -0.457 55.635 56.048 0.074 0.000 1.186 1416 H CB 1.471 31.305 29.762 0.119 0.000 1.790 1416 H HN 0.101 nan 8.280 nan 0.000 0.556 1417 A N 0.797 123.702 122.820 0.140 0.000 1.877 1417 A HA -0.198 4.122 4.320 -0.001 0.000 0.216 1417 A C 1.634 179.255 177.584 0.061 0.000 1.186 1417 A CA 1.982 53.991 52.037 -0.048 0.000 0.620 1417 A CB -0.382 18.360 19.000 -0.429 0.000 0.822 1417 A HN 0.777 nan 8.150 nan 0.000 0.443 1418 D N -1.183 119.266 120.400 0.083 0.000 2.097 1418 D HA -0.138 4.502 4.640 -0.001 0.000 0.195 1418 D C 1.715 178.120 176.300 0.175 0.000 0.989 1418 D CA 1.451 55.543 54.000 0.153 0.000 0.827 1418 D CB -0.399 40.474 40.800 0.122 0.000 0.966 1418 D HN 0.473 nan 8.370 nan 0.000 0.456 1419 F N 2.151 122.150 119.950 0.081 0.000 2.095 1419 F HA -0.235 4.291 4.527 -0.001 0.000 0.298 1419 F C 2.416 178.251 175.800 0.058 0.000 1.104 1419 F CA 1.454 59.493 58.000 0.065 0.000 1.232 1419 F CB -0.080 38.956 39.000 0.059 0.000 0.987 1419 F HN -0.178 nan 8.300 nan 0.000 0.475 1420 Q N 0.473 120.462 119.800 0.316 0.000 2.084 1420 Q HA -0.136 4.204 4.340 -0.001 0.000 0.202 1420 Q C 2.520 178.545 176.000 0.042 0.000 0.978 1420 Q CA 1.540 57.460 55.803 0.196 0.000 0.844 1420 Q CB -1.071 27.872 28.738 0.341 0.000 0.898 1420 Q HN 0.564 nan 8.270 nan 0.000 0.426 1421 A N 0.717 123.632 122.820 0.159 0.000 1.969 1421 A HA -0.173 4.147 4.320 -0.001 0.000 0.218 1421 A C 1.904 179.414 177.584 -0.123 0.000 1.169 1421 A CA 1.200 53.272 52.037 0.058 0.000 0.635 1421 A CB -0.286 18.772 19.000 0.097 0.000 0.810 1421 A HN 0.370 nan 8.150 nan 0.000 0.445 1422 Q N -0.999 118.703 119.800 -0.162 0.000 2.425 1422 Q HA -0.033 4.307 4.340 -0.001 0.000 0.204 1422 Q C 1.747 177.590 176.000 -0.263 0.000 0.933 1422 Q CA 0.136 55.815 55.803 -0.207 0.000 0.939 1422 Q CB 0.069 28.707 28.738 -0.165 0.000 1.044 1422 Q HN 0.506 nan 8.270 nan 0.000 0.513 1423 Q N -0.146 119.455 119.800 -0.332 0.000 2.152 1423 Q HA -0.140 4.200 4.340 -0.001 0.000 0.206 1423 Q C 1.902 177.775 176.000 -0.212 0.000 0.985 1423 Q CA 1.738 57.334 55.803 -0.345 0.000 0.863 1423 Q CB -0.487 28.079 28.738 -0.286 0.000 0.904 1423 Q HN 0.495 nan 8.270 nan 0.000 0.422 1424 G N -0.686 108.012 108.800 -0.171 0.000 2.920 1424 G HA2 0.111 4.071 3.960 -0.001 0.000 0.208 1424 G HA3 0.111 4.071 3.960 -0.001 0.000 0.208 1424 G C 0.430 175.269 174.900 -0.102 0.000 1.159 1424 G CA -0.291 44.735 45.100 -0.123 0.000 0.784 1424 G HN 0.167 nan 8.290 nan 0.000 0.535 1425 L N 1.118 122.273 121.223 -0.113 0.000 2.410 1425 L HA 0.253 4.593 4.340 -0.001 0.000 0.273 1425 L C 1.913 178.746 176.870 -0.062 0.000 1.152 1425 L CA -0.520 54.272 54.840 -0.081 0.000 0.855 1425 L CB 1.321 43.332 42.059 -0.080 0.000 1.129 1425 L HN 0.144 nan 8.230 nan 0.000 0.463 1426 A N 2.633 125.429 122.820 -0.040 0.000 1.972 1426 A HA -0.173 4.147 4.320 -0.001 0.000 0.219 1426 A C 1.425 178.998 177.584 -0.019 0.000 1.169 1426 A CA 1.601 53.622 52.037 -0.027 0.000 0.635 1426 A CB -0.372 18.619 19.000 -0.016 0.000 0.810 1426 A HN 0.902 nan 8.150 nan 0.000 0.446 1427 D N -0.972 119.420 120.400 -0.014 0.000 2.358 1427 D HA 0.045 4.685 4.640 -0.001 0.000 0.224 1427 D C 1.159 177.457 176.300 -0.003 0.000 1.123 1427 D CA 0.352 54.351 54.000 -0.001 0.000 0.833 1427 D CB 0.053 40.860 40.800 0.012 0.000 0.946 1427 D HN 0.281 nan 8.370 nan 0.000 0.505 1428 K N 1.612 121.995 120.400 -0.029 0.000 2.044 1428 K HA -0.108 4.212 4.320 -0.001 0.000 0.210 1428 K C -0.857 175.739 176.600 -0.005 0.000 1.049 1428 K CA 1.454 57.716 56.287 -0.042 0.000 0.927 1428 K CB -1.199 31.229 32.500 -0.120 0.000 0.713 1428 K HN 0.131 nan 8.250 nan 0.000 0.443 1429 P HA -0.137 nan 4.420 nan 0.000 0.215 1429 P C 1.270 178.593 177.300 0.037 0.000 1.153 1429 P CA 0.961 64.079 63.100 0.030 0.000 0.853 1429 P CB -0.021 31.693 31.700 0.024 0.000 0.788 1430 L N -0.872 120.368 121.223 0.029 0.000 2.072 1430 L HA -0.060 4.280 4.340 -0.001 0.000 0.205 1430 L C 2.175 179.071 176.870 0.042 0.000 1.079 1430 L CA 1.546 56.406 54.840 0.033 0.000 0.752 1430 L CB -1.211 40.864 42.059 0.027 0.000 0.906 1430 L HN -0.153 nan 8.230 nan 0.000 0.436 1431 I N -0.003 120.594 120.570 0.046 0.000 2.151 1431 I HA -0.339 3.830 4.170 -0.001 0.000 0.243 1431 I C 1.995 178.157 176.117 0.074 0.000 1.080 1431 I CA 1.638 62.976 61.300 0.064 0.000 1.339 1431 I CB -0.587 37.453 38.000 0.067 0.000 1.039 1431 I HN 0.291 nan 8.210 nan 0.000 0.409 1432 D N 0.642 121.088 120.400 0.077 0.000 2.178 1432 D HA -0.143 4.497 4.640 -0.001 0.000 0.201 1432 D C 2.185 178.535 176.300 0.083 0.000 0.980 1432 D CA 0.956 55.015 54.000 0.098 0.000 0.842 1432 D CB -0.163 40.710 40.800 0.121 0.000 0.948 1432 D HN 0.182 nan 8.370 nan 0.000 0.472 1433 K N 0.800 121.239 120.400 0.064 0.000 2.062 1433 K HA -0.046 4.274 4.320 -0.001 0.000 0.205 1433 K C 2.022 178.647 176.600 0.041 0.000 1.051 1433 K CA 0.578 56.896 56.287 0.052 0.000 0.941 1433 K CB -0.216 32.309 32.500 0.043 0.000 0.719 1433 K HN 0.328 nan 8.250 nan 0.000 0.440 1434 E N 0.589 120.810 120.200 0.036 0.000 2.085 1434 E HA -0.156 4.194 4.350 -0.001 0.000 0.194 1434 E C 2.122 178.722 176.600 -0.001 0.000 0.994 1434 E CA 0.989 57.397 56.400 0.013 0.000 0.801 1434 E CB -0.177 29.534 29.700 0.018 0.000 0.743 1434 E HN 0.246 nan 8.360 nan 0.000 0.453 1435 I N 0.798 121.391 120.570 0.039 0.000 2.179 1435 I HA -0.202 3.968 4.170 -0.001 0.000 0.242 1435 I C 2.626 178.780 176.117 0.061 0.000 1.088 1435 I CA 1.220 62.553 61.300 0.055 0.000 1.357 1435 I CB -0.694 37.374 38.000 0.114 0.000 1.051 1435 I HN 0.175 nan 8.210 nan 0.000 0.409 1436 G N 0.367 109.212 108.800 0.075 0.000 2.469 1436 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.219 1436 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.219 1436 G C 1.540 176.478 174.900 0.063 0.000 1.150 1436 G CA 0.953 46.104 45.100 0.085 0.000 0.763 1436 G HN 0.427 nan 8.290 nan 0.000 0.561 1437 E N -0.647 119.569 120.200 0.026 0.000 2.072 1437 E HA -0.008 4.342 4.350 -0.001 0.000 0.190 1437 E C 2.575 179.155 176.600 -0.035 0.000 0.982 1437 E CA 0.638 57.040 56.400 0.004 0.000 0.803 1437 E CB -0.206 29.488 29.700 -0.010 0.000 0.755 1437 E HN 0.215 nan 8.360 nan 0.000 0.453 1438 V N 1.117 120.972 119.914 -0.098 0.000 2.490 1438 V HA -0.200 3.920 4.120 -0.001 0.000 0.250 1438 V C 1.802 177.865 176.094 -0.051 0.000 1.061 1438 V CA 1.222 63.393 62.300 -0.216 0.000 1.064 1438 V CB -0.142 31.354 31.823 -0.544 0.000 0.670 1438 V HN 0.248 nan 8.190 nan 0.000 0.461 1439 L N 0.216 121.445 121.223 0.010 0.000 2.275 1439 L HA 0.050 4.389 4.340 -0.001 0.000 0.215 1439 L C 2.285 179.157 176.870 0.004 0.000 1.119 1439 L CA 2.113 56.948 54.840 -0.008 0.000 0.790 1439 L CB -1.583 40.543 42.059 0.112 0.000 0.919 1439 L HN 0.462 nan 8.230 nan 0.000 0.443 1440 A N -2.262 120.595 122.820 0.063 0.000 2.387 1440 A HA 0.164 4.484 4.320 -0.001 0.000 0.234 1440 A C 1.120 178.699 177.584 -0.009 0.000 1.253 1440 A CA 0.078 52.157 52.037 0.071 0.000 0.894 1440 A CB -0.181 18.889 19.000 0.116 0.000 0.963 1440 A HN 0.269 nan 8.150 nan 0.000 0.508 1441 T N -1.726 112.781 114.554 -0.078 0.000 2.934 1441 T HA 0.426 4.776 4.350 -0.001 0.000 0.283 1441 T C 0.483 174.978 174.700 -0.342 0.000 1.005 1441 T CA -0.295 61.726 62.100 -0.132 0.000 1.041 1441 T CB 0.489 69.296 68.868 -0.102 0.000 1.042 1441 T HN 0.352 nan 8.240 nan 0.000 0.505 1442 H N 0.936 120.004 119.070 -0.003 0.000 3.233 1442 H HA 0.238 4.793 4.556 -0.001 0.000 0.263 1442 H C -0.058 175.256 175.328 -0.023 0.000 1.168 1442 H CA -0.305 55.740 56.048 -0.006 0.000 1.159 1442 H CB 0.630 30.424 29.762 0.053 0.000 1.593 1442 H HN 0.611 nan 8.280 nan 0.000 0.580 1443 D N 1.987 122.417 120.400 0.050 0.000 2.338 1443 D HA -0.032 4.607 4.640 -0.001 0.000 0.255 1443 D C 0.975 177.265 176.300 -0.016 0.000 1.237 1443 D CA 0.076 54.090 54.000 0.023 0.000 0.883 1443 D CB 1.222 42.032 40.800 0.016 0.000 1.087 1443 D HN 0.166 nan 8.370 nan 0.000 0.485 1444 E N 2.143 122.349 120.200 0.010 0.000 2.153 1444 E HA -0.113 4.236 4.350 -0.001 0.000 0.194 1444 E C 1.559 178.178 176.600 0.032 0.000 0.988 1444 E CA 1.031 57.443 56.400 0.020 0.000 0.811 1444 E CB 0.178 29.911 29.700 0.055 0.000 0.746 1444 E HN 0.555 nan 8.360 nan 0.000 0.466 1445 T N 1.055 115.625 114.554 0.027 0.000 2.737 1445 T HA -0.186 4.164 4.350 -0.001 0.000 0.265 1445 T C 1.927 176.636 174.700 0.016 0.000 1.038 1445 T CA 1.554 63.673 62.100 0.031 0.000 1.144 1445 T CB -0.137 68.747 68.868 0.026 0.000 0.866 1445 T HN 0.251 nan 8.240 nan 0.000 0.434 1446 Q N 0.703 120.499 119.800 -0.007 0.000 2.079 1446 Q HA -0.121 4.219 4.340 -0.001 0.000 0.200 1446 Q C 2.436 178.395 176.000 -0.069 0.000 0.974 1446 Q CA 1.285 57.072 55.803 -0.027 0.000 0.840 1446 Q CB -0.043 28.677 28.738 -0.031 0.000 0.898 1446 Q HN 0.342 nan 8.270 nan 0.000 0.430 1447 R N 0.122 120.557 120.500 -0.108 0.000 2.080 1447 R HA -0.198 4.142 4.340 -0.001 0.000 0.236 1447 R C 2.353 178.586 176.300 -0.112 0.000 1.137 1447 R CA 2.273 58.242 56.100 -0.218 0.000 0.943 1447 R CB -0.094 30.023 30.300 -0.306 0.000 0.846 1447 R HN 0.395 nan 8.270 nan 0.000 0.431 1448 Q N -0.703 119.125 119.800 0.047 0.000 2.077 1448 Q HA -0.192 4.148 4.340 -0.001 0.000 0.206 1448 Q C 2.144 178.221 176.000 0.129 0.000 0.989 1448 Q CA 1.867 57.779 55.803 0.183 0.000 0.853 1448 Q CB -0.213 28.636 28.738 0.185 0.000 0.907 1448 Q HN 0.491 nan 8.270 nan 0.000 0.418 1449 A N 0.334 123.189 122.820 0.059 0.000 1.930 1449 A HA -0.150 4.170 4.320 -0.001 0.000 0.217 1449 A C 1.921 179.524 177.584 0.032 0.000 1.175 1449 A CA 1.009 53.075 52.037 0.049 0.000 0.627 1449 A CB -0.284 18.732 19.000 0.028 0.000 0.815 1449 A HN 0.205 nan 8.150 nan 0.000 0.443 1450 L N -1.727 119.477 121.223 -0.032 0.000 2.044 1450 L HA -0.049 4.290 4.340 -0.001 0.000 0.205 1450 L C 2.332 179.177 176.870 -0.041 0.000 1.075 1450 L CA 1.540 56.334 54.840 -0.077 0.000 0.747 1450 L CB -1.808 40.139 42.059 -0.187 0.000 0.903 1450 L HN 0.535 nan 8.230 nan 0.000 0.435 1451 Y N -0.027 120.272 120.300 -0.002 0.000 2.207 1451 Y HA -0.311 4.239 4.550 -0.000 0.000 0.287 1451 Y C 2.921 178.871 175.900 0.083 0.000 1.156 1451 Y CA 1.540 59.662 58.100 0.036 0.000 1.182 1451 Y CB -0.144 38.318 38.460 0.004 0.000 0.979 1451 Y HN 0.168 nan 8.280 nan 0.000 0.521 1452 R N 0.420 121.063 120.500 0.238 0.000 2.073 1452 R HA -0.199 4.141 4.340 -0.001 0.000 0.234 1452 R C 1.815 178.202 176.300 0.145 0.000 1.134 1452 R CA 2.128 58.331 56.100 0.173 0.000 0.952 1452 R CB -0.402 29.974 30.300 0.127 0.000 0.850 1452 R HN 0.237 nan 8.270 nan 0.000 0.433 1453 D N 0.104 120.573 120.400 0.114 0.000 2.097 1453 D HA -0.118 4.522 4.640 -0.001 0.000 0.195 1453 D C 1.922 178.293 176.300 0.120 0.000 0.989 1453 D CA 1.346 55.404 54.000 0.096 0.000 0.827 1453 D CB -0.025 40.814 40.800 0.065 0.000 0.966 1453 D HN 0.277 nan 8.370 nan 0.000 0.456 1454 I N 0.057 120.708 120.570 0.135 0.000 2.127 1454 I HA -0.274 3.896 4.170 -0.001 0.000 0.241 1454 I C 2.429 178.674 176.117 0.214 0.000 1.075 1454 I CA 0.889 62.289 61.300 0.167 0.000 1.334 1454 I CB -0.222 37.892 38.000 0.191 0.000 1.040 1454 I HN 0.074 nan 8.210 nan 0.000 0.405 1455 L N -0.359 121.016 121.223 0.253 0.000 2.141 1455 L HA -0.161 4.179 4.340 -0.001 0.000 0.209 1455 L C 2.532 179.544 176.870 0.237 0.000 1.094 1455 L CA 1.324 56.329 54.840 0.276 0.000 0.763 1455 L CB -0.798 41.435 42.059 0.289 0.000 0.908 1455 L HN 0.283 nan 8.230 nan 0.000 0.437 1456 T N -0.907 113.759 114.554 0.187 0.000 2.857 1456 T HA -0.111 4.239 4.350 -0.001 0.000 0.266 1456 T C 2.024 176.829 174.700 0.175 0.000 1.048 1456 T CA 0.897 63.100 62.100 0.171 0.000 1.139 1456 T CB -0.075 68.865 68.868 0.120 0.000 0.874 1456 T HN 0.256 nan 8.240 nan 0.000 0.455 1457 R N 0.648 121.235 120.500 0.145 0.000 2.083 1457 R HA 0.031 4.371 4.340 -0.001 0.000 0.237 1457 R C 2.414 178.786 176.300 0.120 0.000 1.137 1457 R CA 1.185 57.353 56.100 0.114 0.000 0.951 1457 R CB -0.575 29.780 30.300 0.092 0.000 0.851 1457 R HN 0.335 nan 8.270 nan 0.000 0.434 1458 L N -0.602 120.719 121.223 0.163 0.000 2.093 1458 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 1458 L C 2.736 179.709 176.870 0.170 0.000 1.085 1458 L CA 1.200 56.142 54.840 0.170 0.000 0.755 1458 L CB -0.681 41.545 42.059 0.279 0.000 0.904 1458 L HN 0.376 nan 8.230 nan 0.000 0.435 1459 H N 0.586 119.732 119.070 0.127 0.000 2.293 1459 H HA -0.183 4.373 4.556 -0.001 0.000 0.300 1459 H C 1.556 176.917 175.328 0.055 0.000 1.082 1459 H CA 2.083 58.189 56.048 0.097 0.000 1.308 1459 H CB 0.225 30.043 29.762 0.093 0.000 1.375 1459 H HN 0.304 nan 8.280 nan 0.000 0.495 1460 D N 0.466 120.934 120.400 0.113 0.000 2.264 1460 D HA -0.088 4.552 4.640 -0.001 0.000 0.208 1460 D C 1.631 177.920 176.300 -0.017 0.000 0.966 1460 D CA 0.736 54.763 54.000 0.046 0.000 0.864 1460 D CB -0.225 40.635 40.800 0.099 0.000 0.933 1460 D HN 0.594 nan 8.370 nan 0.000 0.499 1461 E N -0.005 120.186 120.200 -0.015 0.000 2.489 1461 E HA 0.249 4.599 4.350 -0.001 0.000 0.193 1461 E C 0.586 177.135 176.600 -0.086 0.000 1.057 1461 E CA 0.273 56.650 56.400 -0.039 0.000 0.866 1461 E CB 0.239 29.922 29.700 -0.028 0.000 0.916 1461 E HN 0.120 nan 8.360 nan 0.000 0.500 1462 A N 0.529 123.274 122.820 -0.125 0.000 2.745 1462 A HA -0.216 4.104 4.320 -0.001 0.000 0.296 1462 A C 1.416 178.903 177.584 -0.162 0.000 1.500 1462 A CA 0.642 52.585 52.037 -0.157 0.000 0.766 1462 A CB -2.404 16.512 19.000 -0.140 0.000 1.030 1462 A HN 0.208 nan 8.150 nan 0.000 0.489 1463 V N -2.194 117.594 119.914 -0.209 0.000 2.515 1463 V HA -0.083 4.036 4.120 -0.001 0.000 0.250 1463 V C 1.249 177.011 176.094 -0.553 0.000 1.058 1463 V CA 1.912 63.966 62.300 -0.409 0.000 1.064 1463 V CB -0.669 30.782 31.823 -0.619 0.000 0.675 1463 V HN 0.643 nan 8.190 nan 0.000 0.461 1464 Y N -0.846 119.430 120.300 -0.039 0.000 2.528 1464 Y HA 0.690 5.239 4.550 -0.001 0.000 0.335 1464 Y C -0.183 175.670 175.900 -0.078 0.000 1.093 1464 Y CA -1.657 56.419 58.100 -0.039 0.000 1.134 1464 Y CB 1.441 39.884 38.460 -0.029 0.000 1.253 1464 Y HN -0.117 nan 8.280 nan 0.000 0.478 1465 L N 5.328 126.613 121.223 0.104 0.000 2.384 1465 L HA 0.590 4.930 4.340 -0.001 0.000 0.261 1465 L C -3.018 173.852 176.870 0.000 0.000 1.024 1465 L CA -3.260 51.584 54.840 0.007 0.000 0.899 1465 L CB 0.407 42.448 42.059 -0.031 0.000 1.243 1465 L HN 0.304 nan 8.230 nan 0.000 0.449 1466 P HA 0.317 nan 4.420 nan 0.000 0.271 1466 P C 0.521 177.738 177.300 -0.137 0.000 1.216 1466 P CA 0.153 63.189 63.100 -0.107 0.000 0.776 1466 P CB 1.358 32.981 31.700 -0.129 0.000 0.881 1467 I N 0.127 120.594 120.570 -0.171 0.000 3.345 1467 I HA 0.080 4.250 4.170 -0.001 0.000 0.258 1467 I C 0.762 176.735 176.117 -0.239 0.000 1.134 1467 I CA 0.644 61.858 61.300 -0.144 0.000 1.457 1467 I CB 0.199 38.168 38.000 -0.053 0.000 1.425 1467 I HN 0.392 nan 8.210 nan 0.000 0.461 1468 S N -1.166 114.348 115.700 -0.310 0.000 2.596 1468 S HA 0.551 5.021 4.470 -0.001 0.000 0.270 1468 S C -1.556 172.780 174.600 -0.439 0.000 1.155 1468 S CA -0.675 57.316 58.200 -0.348 0.000 0.827 1468 S CB 1.511 64.606 63.200 -0.175 0.000 1.130 1468 S HN 0.049 nan 8.310 nan 0.000 0.467 1469 Y N 1.631 121.890 120.300 -0.069 0.000 2.331 1469 Y HA 0.601 5.150 4.550 -0.001 0.000 0.338 1469 Y C 0.473 176.322 175.900 -0.084 0.000 0.992 1469 Y CA -1.367 56.686 58.100 -0.079 0.000 1.121 1469 Y CB 0.928 39.351 38.460 -0.062 0.000 1.184 1469 Y HN 0.742 nan 8.280 nan 0.000 0.469 1470 I N -0.628 119.968 120.570 0.043 0.000 2.676 1470 I HA 0.782 4.951 4.170 -0.001 0.000 0.309 1470 I C -0.150 175.932 176.117 -0.059 0.000 0.990 1470 I CA -0.772 60.505 61.300 -0.038 0.000 1.168 1470 I CB 1.903 39.858 38.000 -0.075 0.000 1.343 1470 I HN 0.350 nan 8.210 nan 0.000 0.482 1471 S N 2.610 118.241 115.700 -0.115 0.000 2.726 1471 S HA 0.589 5.059 4.470 -0.001 0.000 0.308 1471 S C -0.390 174.078 174.600 -0.220 0.000 1.115 1471 S CA -0.692 57.408 58.200 -0.167 0.000 0.965 1471 S CB 1.663 64.757 63.200 -0.177 0.000 1.145 1471 S HN 0.648 nan 8.310 nan 0.000 0.532 1472 M N 1.852 121.279 119.600 -0.289 0.000 2.233 1472 M HA 0.439 4.918 4.480 -0.001 0.000 0.350 1472 M C -1.008 175.083 176.300 -0.349 0.000 1.176 1472 M CA 0.573 55.677 55.300 -0.327 0.000 1.150 1472 M CB -0.068 32.303 32.600 -0.382 0.000 1.530 1472 M HN 0.597 nan 8.290 nan 0.000 0.459 1473 M N 4.042 123.410 119.600 -0.387 0.000 2.456 1473 M HA 0.658 5.138 4.480 -0.001 0.000 0.324 1473 M C -1.459 174.686 176.300 -0.259 0.000 1.124 1473 M CA -0.840 54.213 55.300 -0.412 0.000 0.959 1473 M CB 2.098 34.220 32.600 -0.797 0.000 1.692 1473 M HN 0.429 nan 8.290 nan 0.000 0.444 1474 V N 2.930 122.832 119.914 -0.019 0.000 2.638 1474 V HA 0.703 4.823 4.120 -0.001 0.000 0.306 1474 V C -0.892 175.302 176.094 0.166 0.000 1.052 1474 V CA -0.890 61.438 62.300 0.046 0.000 0.885 1474 V CB 1.985 33.856 31.823 0.080 0.000 0.999 1474 V HN 0.690 nan 8.190 nan 0.000 0.424 1475 V N 1.373 121.313 119.914 0.044 0.000 2.656 1475 V HA 0.980 5.099 4.120 -0.001 0.000 0.307 1475 V C -0.542 175.420 176.094 -0.220 0.000 1.051 1475 V CA -0.154 62.057 62.300 -0.147 0.000 0.893 1475 V CB 1.996 33.588 31.823 -0.384 0.000 0.999 1475 V HN 0.819 nan 8.190 nan 0.000 0.426 1476 S N 2.964 118.634 115.700 -0.050 0.000 2.536 1476 S HA 0.530 5.000 4.470 -0.001 0.000 0.271 1476 S C -0.749 174.056 174.600 0.342 0.000 1.134 1476 S CA -0.912 57.400 58.200 0.186 0.000 0.897 1476 S CB 1.788 65.077 63.200 0.148 0.000 1.094 1476 S HN 0.924 nan 8.310 nan 0.000 0.473 1477 K N 2.943 123.515 120.400 0.285 0.000 2.448 1477 K HA 0.133 4.453 4.320 -0.001 0.000 0.278 1477 K C -1.804 174.832 176.600 0.059 0.000 1.009 1477 K CA -1.332 55.023 56.287 0.114 0.000 0.995 1477 K CB 0.337 32.828 32.500 -0.014 0.000 0.917 1477 K HN 0.271 nan 8.250 nan 0.000 0.481 1478 P HA -0.244 nan 4.420 nan 0.000 0.217 1478 P C 0.618 177.890 177.300 -0.047 0.000 1.148 1478 P CA 1.207 64.322 63.100 0.024 0.000 0.828 1478 P CB 0.152 31.898 31.700 0.078 0.000 0.783 1479 E N -0.007 120.176 120.200 -0.028 0.000 2.273 1479 E HA -0.166 4.183 4.350 -0.001 0.000 0.198 1479 E C 1.860 178.427 176.600 -0.056 0.000 1.002 1479 E CA 0.967 57.346 56.400 -0.036 0.000 0.828 1479 E CB -1.273 28.410 29.700 -0.028 0.000 0.747 1479 E HN 0.360 nan 8.360 nan 0.000 0.491 1480 L N 0.427 121.603 121.223 -0.078 0.000 2.376 1480 L HA 0.033 4.373 4.340 -0.001 0.000 0.219 1480 L C 1.414 178.206 176.870 -0.131 0.000 1.133 1480 L CA 0.601 55.389 54.840 -0.087 0.000 0.816 1480 L CB -0.864 41.152 42.059 -0.072 0.000 0.933 1480 L HN 0.294 nan 8.230 nan 0.000 0.449 1481 G N 0.376 109.053 108.800 -0.204 0.000 2.642 1481 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.231 1481 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.231 1481 G C -0.216 174.498 174.900 -0.310 0.000 1.338 1481 G CA -0.481 44.494 45.100 -0.208 0.000 0.883 1481 G HN 0.295 nan 8.290 nan 0.000 0.570 1482 N N 0.332 118.952 118.700 -0.133 0.000 2.513 1482 N HA 0.302 5.042 4.740 -0.001 0.000 0.268 1482 N C 0.147 175.618 175.510 -0.066 0.000 1.180 1482 N CA -0.114 52.911 53.050 -0.041 0.000 0.948 1482 N CB 0.247 38.757 38.487 0.038 0.000 1.083 1482 N HN 0.383 nan 8.380 nan 0.000 0.455 1483 I N 4.646 125.194 120.570 -0.037 0.000 2.330 1483 I HA 0.318 4.488 4.170 -0.001 0.000 0.289 1483 I C -2.071 173.937 176.117 -0.182 0.000 1.001 1483 I CA -2.240 59.025 61.300 -0.058 0.000 1.193 1483 I CB 0.790 38.817 38.000 0.044 0.000 1.345 1483 I HN 0.214 nan 8.210 nan 0.000 0.461 1484 P HA 0.254 nan 4.420 nan 0.000 0.276 1484 P C -1.247 175.953 177.300 -0.166 0.000 1.252 1484 P CA -0.158 62.817 63.100 -0.208 0.000 0.802 1484 P CB 0.433 32.090 31.700 -0.071 0.000 1.035 1485 Y N -0.323 120.057 120.300 0.133 0.000 2.320 1485 Y HA 0.484 5.034 4.550 -0.001 0.000 0.334 1485 Y C 1.072 177.057 175.900 0.142 0.000 1.055 1485 Y CA -1.158 57.053 58.100 0.185 0.000 1.143 1485 Y CB 0.839 39.358 38.460 0.099 0.000 1.193 1485 Y HN 0.349 nan 8.280 nan 0.000 0.477 1486 A N 5.394 128.405 122.820 0.318 0.000 2.477 1486 A HA 0.192 4.511 4.320 -0.001 0.000 0.246 1486 A C -1.567 176.142 177.584 0.208 0.000 1.078 1486 A CA -1.190 50.953 52.037 0.176 0.000 0.770 1486 A CB 0.048 19.110 19.000 0.103 0.000 1.011 1486 A HN 0.642 nan 8.150 nan 0.000 0.494 1487 P HA -0.055 nan 4.420 nan 0.000 0.218 1487 P C 0.098 177.587 177.300 0.315 0.000 1.149 1487 P CA 1.041 64.278 63.100 0.228 0.000 0.817 1487 P CB -0.059 31.725 31.700 0.140 0.000 0.785 1488 I N -0.385 120.341 120.570 0.260 0.000 2.325 1488 I HA 0.188 4.357 4.170 -0.001 0.000 0.291 1488 I C 1.526 177.762 176.117 0.198 0.000 1.019 1488 I CA -0.599 60.825 61.300 0.205 0.000 1.302 1488 I CB 1.464 39.551 38.000 0.145 0.000 1.401 1488 I HN -0.137 nan 8.210 nan 0.000 0.485 1489 A N 4.171 127.115 122.820 0.207 0.000 2.015 1489 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 1489 A C 2.043 179.741 177.584 0.190 0.000 1.163 1489 A CA 1.929 54.076 52.037 0.183 0.000 0.646 1489 A CB -0.690 18.399 19.000 0.148 0.000 0.806 1489 A HN 0.809 nan 8.150 nan 0.000 0.448 1490 T N -2.165 112.498 114.554 0.181 0.000 3.100 1490 T HA 0.171 4.521 4.350 -0.001 0.000 0.253 1490 T C 0.477 175.272 174.700 0.158 0.000 1.118 1490 T CA 0.040 62.244 62.100 0.174 0.000 1.058 1490 T CB -0.062 68.889 68.868 0.139 0.000 0.953 1490 T HN 0.522 nan 8.240 nan 0.000 0.515 1491 E N 0.849 121.128 120.200 0.132 0.000 2.319 1491 E HA 0.553 4.903 4.350 -0.001 0.000 0.268 1491 E C -0.714 175.847 176.600 -0.065 0.000 1.050 1491 E CA -0.576 55.860 56.400 0.059 0.000 0.878 1491 E CB 1.362 31.093 29.700 0.051 0.000 1.066 1491 E HN 0.402 nan 8.360 nan 0.000 0.406 1492 I N 3.108 123.523 120.570 -0.258 0.000 2.418 1492 I HA 0.213 4.382 4.170 -0.001 0.000 0.287 1492 I C -2.098 173.596 176.117 -0.704 0.000 1.008 1492 I CA -2.143 58.664 61.300 -0.821 0.000 1.104 1492 I CB 1.966 39.252 38.000 -1.191 0.000 1.264 1492 I HN 0.259 nan 8.210 nan 0.000 0.438 1493 P HA 0.156 nan 4.420 nan 0.000 0.218 1493 P C 0.609 177.787 177.300 -0.203 0.000 1.793 1493 P CA -0.097 62.837 63.100 -0.276 0.000 0.941 1493 P CB -0.286 31.307 31.700 -0.179 0.000 1.919 1494 F N 1.717 121.601 119.950 -0.109 0.000 2.202 1494 F HA -0.175 4.352 4.527 -0.001 0.000 0.301 1494 F C 2.423 178.327 175.800 0.173 0.000 1.082 1494 F CA 1.108 59.042 58.000 -0.109 0.000 1.313 1494 F CB -0.270 38.480 39.000 -0.416 0.000 1.024 1494 F HN 0.181 nan 8.300 nan 0.000 0.495 1495 E N 0.815 121.314 120.200 0.499 0.000 2.418 1495 E HA -0.194 4.155 4.350 -0.001 0.000 0.197 1495 E C 1.227 177.935 176.600 0.181 0.000 1.026 1495 E CA 0.966 57.600 56.400 0.390 0.000 0.862 1495 E CB -0.439 29.375 29.700 0.190 0.000 0.799 1495 E HN 0.515 nan 8.360 nan 0.000 0.518 1496 Q N 0.278 120.149 119.800 0.120 0.000 2.282 1496 Q HA 0.329 4.669 4.340 -0.001 0.000 0.206 1496 Q C 0.218 176.243 176.000 0.041 0.000 0.878 1496 Q CA -0.214 55.624 55.803 0.058 0.000 0.944 1496 Q CB 0.732 29.483 28.738 0.021 0.000 1.100 1496 Q HN 0.270 nan 8.270 nan 0.000 0.509 1497 I N 2.356 122.965 120.570 0.065 0.000 2.416 1497 I HA 0.073 4.242 4.170 -0.001 0.000 0.288 1497 I C -0.070 176.077 176.117 0.050 0.000 1.051 1497 I CA 0.162 61.485 61.300 0.038 0.000 1.375 1497 I CB 0.596 38.623 38.000 0.045 0.000 1.407 1497 I HN -0.139 nan 8.210 nan 0.000 0.516 1498 K N 7.174 127.585 120.400 0.019 0.000 2.575 1498 K HA 0.438 4.758 4.320 -0.001 0.000 0.236 1498 K C -2.479 174.120 176.600 -0.001 0.000 0.976 1498 K CA -1.606 54.692 56.287 0.017 0.000 0.985 1498 K CB 1.261 33.769 32.500 0.013 0.000 1.198 1498 K HN 0.252 nan 8.250 nan 0.000 0.464 1499 P HA 0.000 nan 4.420 nan 0.000 0.216 1499 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 1499 P CB 0.000 31.696 31.700 -0.007 0.000 0.726