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 2j4u_1_V DATA FIRST_RESID 1001 DATA SEQUENCE AEVYNKDGNK LDLYGKVDGL HYFSDNKDVD GDQTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNSAENENN SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYGSDNF MQQRGNGFAT YRNTDFFGLV DGLNFAVQYQ DATA SEQUENCE GKNGNPSGEG FTSGVTNNGR DXXXXXXXXX GGSITYDYEG FGIGGAISSS DATA SEQUENCE KRTDAQNTAA YIGNGDRAET YTGGLKYDAN NIYLAAQYTQ TYNATRVGSL DATA SEQUENCE GWANKAQNFE AVAQYQFDFG LRPSLAYLQS KGKNLGRGYD DEDILKYVDV DATA SEQUENCE GATYYFNKNM STYVDYKINL LDDNQFTRDA GINTDNIVAL GLVYQF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 A HA 0.000 nan 4.320 nan 0.000 0.244 1001 A C 0.000 177.702 177.584 0.196 0.000 1.274 1001 A CA 0.000 52.181 52.037 0.241 0.000 0.836 1001 A CB 0.000 19.198 19.000 0.330 0.000 0.831 1002 E N 2.391 122.667 120.200 0.127 0.000 1.800 1002 E HA 0.328 4.678 4.350 -0.000 0.000 0.262 1002 E C 0.729 177.395 176.600 0.111 0.000 1.219 1002 E CA 0.162 56.627 56.400 0.108 0.000 1.051 1002 E CB -0.563 29.175 29.700 0.064 0.000 1.074 1002 E HN 1.091 nan 8.360 nan 0.000 0.433 1003 V N 2.339 122.341 119.914 0.146 0.000 3.254 1003 V HA -0.047 4.073 4.120 -0.000 0.000 0.163 1003 V C 1.053 177.233 176.094 0.143 0.000 0.803 1003 V CA 0.038 62.424 62.300 0.144 0.000 1.254 1003 V CB -0.885 31.037 31.823 0.165 0.000 0.935 1003 V HN 0.614 nan 8.190 nan 0.000 0.363 1004 Y N 3.055 123.377 120.300 0.037 0.000 3.119 1004 Y HA 0.023 4.573 4.550 -0.000 0.000 0.348 1004 Y C 0.625 176.541 175.900 0.027 0.000 1.267 1004 Y CA 1.873 59.987 58.100 0.022 0.000 1.578 1004 Y CB -0.155 38.309 38.460 0.006 0.000 1.198 1004 Y HN 0.927 nan 8.280 nan 0.000 0.615 1005 N N 4.470 122.988 118.700 -0.304 0.000 3.354 1005 N HA 0.118 4.858 4.740 -0.000 0.000 0.196 1005 N C -2.100 173.225 175.510 -0.309 0.000 1.486 1005 N CA -0.670 52.276 53.050 -0.173 0.000 0.768 1005 N CB 0.362 38.819 38.487 -0.050 0.000 1.625 1005 N HN 0.640 nan 8.380 nan 0.000 0.636 1006 K N 1.743 121.912 120.400 -0.386 0.000 2.507 1006 K HA 0.295 4.615 4.320 -0.000 0.000 0.251 1006 K C -1.131 175.426 176.600 -0.071 0.000 0.943 1006 K CA -0.523 55.580 56.287 -0.308 0.000 0.794 1006 K CB 1.016 33.163 32.500 -0.589 0.000 1.188 1006 K HN 0.484 nan 8.250 nan 0.000 0.428 1007 D N 3.404 123.781 120.400 -0.038 0.000 3.688 1007 D HA -0.247 4.393 4.640 -0.000 0.000 0.214 1007 D C 0.595 176.917 176.300 0.036 0.000 1.071 1007 D CA 1.487 55.492 54.000 0.008 0.000 1.124 1007 D CB -1.218 39.594 40.800 0.020 0.000 0.760 1007 D HN 0.896 nan 8.370 nan 0.000 0.383 1008 G N 3.531 112.349 108.800 0.030 0.000 5.260 1008 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.276 1008 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.276 1008 G C 0.314 175.250 174.900 0.059 0.000 1.357 1008 G CA 0.586 45.712 45.100 0.044 0.000 1.008 1008 G HN 1.015 nan 8.290 nan 0.000 0.777 1009 N N 2.011 120.762 118.700 0.085 0.000 2.414 1009 N HA 0.301 5.041 4.740 -0.000 0.000 0.268 1009 N C -0.263 175.342 175.510 0.159 0.000 1.286 1009 N CA 1.274 54.398 53.050 0.124 0.000 0.896 1009 N CB 0.150 38.727 38.487 0.150 0.000 1.093 1009 N HN 0.766 nan 8.380 nan 0.000 0.480 1010 K N 3.059 123.543 120.400 0.140 0.000 2.501 1010 K HA 0.475 4.795 4.320 -0.000 0.000 0.252 1010 K C -1.245 175.446 176.600 0.153 0.000 0.934 1010 K CA -0.732 55.641 56.287 0.142 0.000 0.797 1010 K CB 1.754 34.302 32.500 0.079 0.000 1.270 1010 K HN 0.258 nan 8.250 nan 0.000 0.431 1011 L N 1.626 122.955 121.223 0.177 0.000 2.334 1011 L HA 0.529 4.869 4.340 -0.000 0.000 0.273 1011 L C -1.141 175.838 176.870 0.182 0.000 1.013 1011 L CA -0.662 54.280 54.840 0.171 0.000 0.816 1011 L CB 1.995 44.151 42.059 0.163 0.000 1.278 1011 L HN 0.887 nan 8.230 nan 0.000 0.431 1012 D N 3.889 124.425 120.400 0.227 0.000 2.363 1012 D HA 0.159 4.799 4.640 -0.000 0.000 0.258 1012 D C -0.920 175.590 176.300 0.349 0.000 1.259 1012 D CA -0.392 53.758 54.000 0.250 0.000 0.921 1012 D CB 0.931 41.850 40.800 0.198 0.000 1.201 1012 D HN 0.164 nan 8.370 nan 0.000 0.524 1013 L N 4.607 126.021 121.223 0.319 0.000 2.455 1013 L HA 0.236 4.576 4.340 -0.000 0.000 0.272 1013 L C -0.793 176.320 176.870 0.405 0.000 1.174 1013 L CA 0.290 55.343 54.840 0.354 0.000 0.869 1013 L CB -0.146 42.112 42.059 0.332 0.000 1.130 1013 L HN 0.488 nan 8.230 nan 0.000 0.474 1014 Y N 2.967 123.320 120.300 0.088 0.000 2.625 1014 Y HA 0.830 5.380 4.550 -0.000 0.000 0.338 1014 Y C -0.350 174.995 175.900 -0.925 0.000 1.123 1014 Y CA -0.385 57.427 58.100 -0.480 0.000 1.046 1014 Y CB 1.761 40.047 38.460 -0.290 0.000 1.299 1014 Y HN 0.736 nan 8.280 nan 0.000 0.464 1015 G N 1.451 109.489 108.800 -1.269 0.000 2.315 1015 G HA2 0.511 4.471 3.960 -0.000 0.000 0.294 1015 G HA3 0.511 4.471 3.960 -0.000 0.000 0.294 1015 G C -2.319 172.329 174.900 -0.419 0.000 1.300 1015 G CA -0.838 43.832 45.100 -0.717 0.000 0.843 1015 G HN 1.123 nan 8.290 nan 0.000 0.527 1016 K N -1.847 118.551 120.400 -0.003 0.000 2.598 1016 K HA 0.703 5.023 4.320 -0.000 0.000 0.271 1016 K C -1.547 175.089 176.600 0.060 0.000 0.947 1016 K CA -0.926 55.425 56.287 0.106 0.000 0.854 1016 K CB 1.821 34.310 32.500 -0.019 0.000 1.401 1016 K HN 0.736 nan 8.250 nan 0.000 0.415 1017 V N 1.333 121.315 119.914 0.113 0.000 2.555 1017 V HA 0.539 4.659 4.120 -0.000 0.000 0.302 1017 V C -1.153 174.901 176.094 -0.067 0.000 1.038 1017 V CA -0.363 61.918 62.300 -0.032 0.000 0.887 1017 V CB 1.753 33.590 31.823 0.023 0.000 0.991 1017 V HN 0.917 nan 8.190 nan 0.000 0.434 1018 D N 3.251 123.513 120.400 -0.230 0.000 2.476 1018 D HA 0.374 5.014 4.640 -0.000 0.000 0.251 1018 D C 0.020 176.291 176.300 -0.049 0.000 1.291 1018 D CA -0.199 53.701 54.000 -0.167 0.000 0.939 1018 D CB 1.833 42.368 40.800 -0.441 0.000 1.221 1018 D HN 0.695 nan 8.370 nan 0.000 0.567 1019 G N 3.782 112.598 108.800 0.026 0.000 2.350 1019 G HA2 0.508 4.468 3.960 -0.000 0.000 0.306 1019 G HA3 0.508 4.468 3.960 -0.000 0.000 0.306 1019 G C -0.571 174.370 174.900 0.068 0.000 1.094 1019 G CA -0.398 44.724 45.100 0.037 0.000 0.953 1019 G HN 0.476 nan 8.290 nan 0.000 0.420 1020 L N 2.554 123.838 121.223 0.103 0.000 2.422 1020 L HA 0.668 5.008 4.340 -0.000 0.000 0.264 1020 L C -1.570 175.377 176.870 0.129 0.000 0.984 1020 L CA -1.003 53.929 54.840 0.153 0.000 0.819 1020 L CB 2.808 45.022 42.059 0.258 0.000 1.330 1020 L HN 0.702 nan 8.230 nan 0.000 0.410 1021 H N 2.398 121.502 119.070 0.056 0.000 2.930 1021 H HA 0.543 5.099 4.556 -0.000 0.000 0.371 1021 H C -1.831 173.560 175.328 0.104 0.000 1.169 1021 H CA -0.354 55.657 56.048 -0.062 0.000 1.157 1021 H CB 1.961 31.600 29.762 -0.205 0.000 1.789 1021 H HN 0.401 nan 8.280 nan 0.000 0.547 1022 Y N 3.652 123.724 120.300 -0.380 0.000 2.350 1022 Y HA 0.321 4.871 4.550 -0.000 0.000 0.338 1022 Y C -1.119 174.595 175.900 -0.310 0.000 0.961 1022 Y CA -1.265 56.746 58.100 -0.148 0.000 1.100 1022 Y CB 0.788 39.195 38.460 -0.087 0.000 1.179 1022 Y HN 0.467 nan 8.280 nan 0.000 0.454 1023 F N 1.534 121.670 119.950 0.310 0.000 2.436 1023 F HA 0.661 5.188 4.527 -0.000 0.000 0.340 1023 F C 0.406 176.283 175.800 0.128 0.000 1.113 1023 F CA -0.630 57.498 58.000 0.213 0.000 1.022 1023 F CB 1.989 41.086 39.000 0.160 0.000 1.128 1023 F HN 0.285 nan 8.300 nan 0.000 0.466 1024 S N 1.207 117.060 115.700 0.255 0.000 2.548 1024 S HA 0.165 4.635 4.470 -0.000 0.000 0.278 1024 S C -0.017 174.650 174.600 0.112 0.000 1.150 1024 S CA -0.720 57.569 58.200 0.148 0.000 0.907 1024 S CB 1.170 64.435 63.200 0.108 0.000 1.108 1024 S HN 0.665 nan 8.310 nan 0.000 0.459 1025 D N 1.790 122.238 120.400 0.081 0.000 2.265 1025 D HA -0.077 4.563 4.640 -0.000 0.000 0.208 1025 D C 0.607 176.934 176.300 0.046 0.000 0.977 1025 D CA 0.989 55.026 54.000 0.061 0.000 0.871 1025 D CB -0.028 40.799 40.800 0.045 0.000 0.925 1025 D HN 0.474 nan 8.370 nan 0.000 0.485 1026 N N 1.453 120.176 118.700 0.039 0.000 2.555 1026 N HA -0.037 4.703 4.740 -0.000 0.000 0.244 1026 N C -0.219 175.309 175.510 0.029 0.000 1.114 1026 N CA -0.002 53.062 53.050 0.024 0.000 0.963 1026 N CB 0.102 38.594 38.487 0.009 0.000 1.276 1026 N HN -0.059 nan 8.380 nan 0.000 0.510 1027 K N 1.905 122.320 120.400 0.024 0.000 3.025 1027 K HA -0.009 4.311 4.320 -0.000 0.000 0.260 1027 K C -0.403 176.199 176.600 0.003 0.000 1.023 1027 K CA 0.163 56.462 56.287 0.020 0.000 1.194 1027 K CB 0.349 32.862 32.500 0.022 0.000 1.094 1027 K HN 0.427 nan 8.250 nan 0.000 0.460 1028 D N -0.894 119.508 120.400 0.003 0.000 2.453 1028 D HA -0.052 4.588 4.640 -0.000 0.000 0.256 1028 D C 1.086 177.381 176.300 -0.009 0.000 1.152 1028 D CA 0.126 54.120 54.000 -0.010 0.000 0.818 1028 D CB 0.938 41.732 40.800 -0.011 0.000 1.259 1028 D HN 0.081 nan 8.370 nan 0.000 0.531 1029 V N -2.339 117.588 119.914 0.022 0.000 3.612 1029 V HA 0.334 4.454 4.120 -0.000 0.000 0.268 1029 V C 0.510 176.645 176.094 0.068 0.000 1.365 1029 V CA -0.284 62.058 62.300 0.069 0.000 1.044 1029 V CB 0.180 32.107 31.823 0.174 0.000 0.820 1029 V HN -0.172 nan 8.190 nan 0.000 0.444 1030 D N 1.166 121.589 120.400 0.038 0.000 2.443 1030 D HA 0.422 5.062 4.640 -0.000 0.000 0.234 1030 D C 1.081 177.301 176.300 -0.134 0.000 1.172 1030 D CA 2.603 56.607 54.000 0.006 0.000 0.878 1030 D CB 0.794 41.608 40.800 0.024 0.000 1.204 1030 D HN 0.808 nan 8.370 nan 0.000 0.453 1031 G N 2.845 111.477 108.800 -0.280 0.000 2.554 1031 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.253 1031 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.253 1031 G C -0.408 173.846 174.900 -1.076 0.000 1.172 1031 G CA 0.110 44.852 45.100 -0.598 0.000 0.950 1031 G HN 0.786 nan 8.290 nan 0.000 0.557 1032 D N 1.004 121.037 120.400 -0.612 0.000 2.295 1032 D HA 0.585 5.225 4.640 -0.000 0.000 0.248 1032 D C 0.989 177.086 176.300 -0.338 0.000 1.154 1032 D CA -0.037 53.677 54.000 -0.476 0.000 0.857 1032 D CB 0.759 41.441 40.800 -0.197 0.000 1.117 1032 D HN 0.281 nan 8.370 nan 0.000 0.468 1033 Q N 2.271 121.878 119.800 -0.321 0.000 2.155 1033 Q HA 0.126 4.466 4.340 -0.000 0.000 0.220 1033 Q C -0.143 175.832 176.000 -0.042 0.000 0.819 1033 Q CA -0.131 55.510 55.803 -0.271 0.000 1.032 1033 Q CB 0.399 28.838 28.738 -0.497 0.000 1.151 1033 Q HN 0.484 nan 8.270 nan 0.000 0.487 1034 T N 2.710 117.266 114.554 0.004 0.000 2.903 1034 T HA 0.022 4.372 4.350 -0.000 0.000 0.299 1034 T C -0.088 174.707 174.700 0.159 0.000 1.041 1034 T CA 0.953 63.098 62.100 0.075 0.000 1.138 1034 T CB -0.138 68.743 68.868 0.021 0.000 1.040 1034 T HN 0.290 nan 8.240 nan 0.000 0.524 1035 Y N 0.485 120.752 120.300 -0.055 0.000 2.900 1035 Y HA 0.821 5.371 4.550 -0.000 0.000 0.318 1035 Y C -0.909 174.950 175.900 -0.069 0.000 1.457 1035 Y CA -1.772 56.272 58.100 -0.094 0.000 1.082 1035 Y CB 1.415 39.800 38.460 -0.124 0.000 1.419 1035 Y HN 0.588 nan 8.280 nan 0.000 0.459 1036 M N 1.473 120.948 119.600 -0.208 0.000 2.682 1036 M HA 0.665 5.145 4.480 -0.000 0.000 0.272 1036 M C -2.328 173.871 176.300 -0.170 0.000 1.232 1036 M CA -0.512 54.635 55.300 -0.256 0.000 0.849 1036 M CB 3.109 35.639 32.600 -0.116 0.000 1.695 1036 M HN 1.043 nan 8.290 nan 0.000 0.481 1037 R N 2.233 122.643 120.500 -0.149 0.000 2.707 1037 R HA 0.807 5.147 4.340 -0.000 0.000 0.272 1037 R C -1.344 174.850 176.300 -0.178 0.000 1.011 1037 R CA -1.027 54.958 56.100 -0.191 0.000 0.893 1037 R CB 2.175 32.354 30.300 -0.201 0.000 1.233 1037 R HN 0.834 nan 8.270 nan 0.000 0.464 1038 L N -1.817 119.262 121.223 -0.240 0.000 2.333 1038 L HA 1.025 5.365 4.340 -0.000 0.000 0.263 1038 L C -0.544 175.912 176.870 -0.690 0.000 1.014 1038 L CA -0.659 53.994 54.840 -0.312 0.000 0.820 1038 L CB 2.697 44.773 42.059 0.027 0.000 1.352 1038 L HN 0.796 nan 8.230 nan 0.000 0.421 1039 G N 0.984 109.155 108.800 -1.048 0.000 2.673 1039 G HA2 0.574 4.534 3.960 -0.000 0.000 0.292 1039 G HA3 0.574 4.534 3.960 -0.000 0.000 0.292 1039 G C -1.777 172.676 174.900 -0.745 0.000 1.450 1039 G CA -0.624 43.790 45.100 -1.143 0.000 0.837 1039 G HN 0.850 nan 8.290 nan 0.000 0.505 1040 F N -0.409 119.507 119.950 -0.057 0.000 2.492 1040 F HA 0.870 5.397 4.527 -0.000 0.000 0.327 1040 F C -0.113 175.840 175.800 0.254 0.000 1.079 1040 F CA -1.534 56.549 58.000 0.138 0.000 0.967 1040 F CB 1.721 40.815 39.000 0.156 0.000 1.169 1040 F HN 0.323 nan 8.300 nan 0.000 0.472 1041 K N 1.185 121.917 120.400 0.553 0.000 2.123 1041 K HA 0.798 5.118 4.320 -0.000 0.000 0.248 1041 K C -0.489 176.352 176.600 0.402 0.000 0.969 1041 K CA -1.123 55.395 56.287 0.384 0.000 0.882 1041 K CB 2.019 34.654 32.500 0.225 0.000 1.080 1041 K HN 1.060 nan 8.250 nan 0.000 0.441 1042 G N 1.262 110.262 108.800 0.334 0.000 2.731 1042 G HA2 0.409 4.369 3.960 -0.000 0.000 0.298 1042 G HA3 0.409 4.369 3.960 -0.000 0.000 0.298 1042 G C -1.506 173.526 174.900 0.219 0.000 1.424 1042 G CA -0.556 44.693 45.100 0.248 0.000 1.029 1042 G HN 0.540 nan 8.290 nan 0.000 0.518 1043 E N 0.622 120.920 120.200 0.163 0.000 2.292 1043 E HA 0.531 4.881 4.350 -0.000 0.000 0.272 1043 E C -1.215 175.456 176.600 0.119 0.000 0.881 1043 E CA -0.916 55.577 56.400 0.155 0.000 0.754 1043 E CB 2.733 32.507 29.700 0.123 0.000 1.201 1043 E HN 0.359 nan 8.360 nan 0.000 0.425 1044 T N 1.479 116.099 114.554 0.109 0.000 2.856 1044 T HA 0.321 4.671 4.350 -0.000 0.000 0.283 1044 T C -1.292 173.456 174.700 0.080 0.000 1.008 1044 T CA -0.684 61.466 62.100 0.084 0.000 0.997 1044 T CB 1.196 70.104 68.868 0.067 0.000 0.992 1044 T HN 0.534 nan 8.240 nan 0.000 0.454 1045 Q N 3.863 123.704 119.800 0.068 0.000 2.357 1045 Q HA 0.536 4.876 4.340 -0.000 0.000 0.266 1045 Q C -0.491 175.542 176.000 0.056 0.000 1.021 1045 Q CA -0.670 55.170 55.803 0.062 0.000 0.784 1045 Q CB 1.301 30.071 28.738 0.054 0.000 1.243 1045 Q HN 0.381 nan 8.270 nan 0.000 0.465 1046 V N 1.793 121.741 119.914 0.058 0.000 3.354 1046 V HA 0.191 4.311 4.120 -0.000 0.000 0.258 1046 V C 0.706 176.833 176.094 0.056 0.000 1.159 1046 V CA 1.106 63.439 62.300 0.055 0.000 1.125 1046 V CB 0.084 31.941 31.823 0.058 0.000 0.774 1046 V HN 0.950 nan 8.190 nan 0.000 0.464 1047 T N -1.952 112.637 114.554 0.058 0.000 2.665 1047 T HA 0.157 4.507 4.350 -0.000 0.000 0.275 1047 T C -0.764 173.970 174.700 0.058 0.000 1.755 1047 T CA 0.189 62.325 62.100 0.059 0.000 0.974 1047 T CB 0.903 69.815 68.868 0.072 0.000 2.069 1047 T HN 0.139 nan 8.240 nan 0.000 0.418 1048 D N -0.297 120.140 120.400 0.062 0.000 2.504 1048 D HA 0.095 4.734 4.640 -0.000 0.000 0.276 1048 D C 1.610 177.950 176.300 0.067 0.000 1.073 1048 D CA 0.308 54.342 54.000 0.056 0.000 0.905 1048 D CB 0.085 40.914 40.800 0.047 0.000 1.350 1048 D HN 0.527 nan 8.370 nan 0.000 0.496 1049 Q N 0.589 120.438 119.800 0.082 0.000 2.030 1049 Q HA -0.096 4.244 4.340 -0.000 0.000 0.204 1049 Q C 0.576 176.652 176.000 0.126 0.000 0.986 1049 Q CA 1.061 56.929 55.803 0.109 0.000 0.843 1049 Q CB 0.177 28.990 28.738 0.126 0.000 0.904 1049 Q HN 0.127 nan 8.270 nan 0.000 0.420 1050 L N 1.700 122.996 121.223 0.121 0.000 2.287 1050 L HA 0.432 4.772 4.340 -0.000 0.000 0.287 1050 L C -1.133 175.781 176.870 0.074 0.000 1.022 1050 L CA -0.152 54.758 54.840 0.117 0.000 0.814 1050 L CB 1.705 43.851 42.059 0.145 0.000 1.217 1050 L HN 0.286 nan 8.230 nan 0.000 0.420 1051 T N 3.080 117.667 114.554 0.054 0.000 2.912 1051 T HA 0.692 5.042 4.350 -0.000 0.000 0.299 1051 T C -0.229 174.525 174.700 0.089 0.000 1.052 1051 T CA -0.297 61.846 62.100 0.071 0.000 0.996 1051 T CB 1.590 70.504 68.868 0.078 0.000 1.070 1051 T HN 0.764 nan 8.240 nan 0.000 0.465 1052 G N 2.474 111.332 108.800 0.096 0.000 2.437 1052 G HA2 0.707 4.667 3.960 -0.000 0.000 0.319 1052 G HA3 0.707 4.667 3.960 -0.000 0.000 0.319 1052 G C -1.453 173.577 174.900 0.216 0.000 1.158 1052 G CA -0.754 44.393 45.100 0.078 0.000 0.899 1052 G HN 0.940 nan 8.290 nan 0.000 0.502 1053 Y N -1.717 118.619 120.300 0.061 0.000 2.609 1053 Y HA 0.765 5.315 4.550 -0.000 0.000 0.336 1053 Y C -0.172 175.809 175.900 0.135 0.000 1.129 1053 Y CA -1.347 56.811 58.100 0.096 0.000 1.040 1053 Y CB 1.264 39.780 38.460 0.093 0.000 1.310 1053 Y HN 0.903 nan 8.280 nan 0.000 0.460 1054 G N 1.093 110.110 108.800 0.362 0.000 2.667 1054 G HA2 0.558 4.518 3.960 -0.000 0.000 0.298 1054 G HA3 0.558 4.518 3.960 -0.000 0.000 0.298 1054 G C -2.380 172.640 174.900 0.200 0.000 1.377 1054 G CA -0.933 44.333 45.100 0.278 0.000 0.964 1054 G HN 0.850 nan 8.290 nan 0.000 0.493 1055 Q N 0.072 119.752 119.800 -0.199 0.000 2.353 1055 Q HA 0.521 4.861 4.340 -0.000 0.000 0.275 1055 Q C -2.398 173.250 176.000 -0.586 0.000 1.029 1055 Q CA -0.928 54.657 55.803 -0.364 0.000 0.848 1055 Q CB 2.893 31.461 28.738 -0.283 0.000 1.390 1055 Q HN 0.608 nan 8.270 nan 0.000 0.401 1056 W N 3.553 124.355 121.300 -0.831 0.000 3.036 1056 W HA 0.482 5.142 4.660 -0.000 0.000 0.337 1056 W C -1.841 174.364 176.519 -0.523 0.000 1.055 1056 W CA -0.197 56.678 57.345 -0.784 0.000 1.248 1056 W CB 1.388 30.091 29.460 -1.262 0.000 1.335 1056 W HN 0.664 nan 8.180 nan 0.000 0.446 1057 E N 4.329 123.894 120.200 -1.058 0.000 2.248 1057 E HA 0.457 4.807 4.350 -0.000 0.000 0.267 1057 E C -2.212 173.811 176.600 -0.962 0.000 0.877 1057 E CA -1.020 54.852 56.400 -0.880 0.000 0.759 1057 E CB 2.335 31.853 29.700 -0.303 0.000 1.182 1057 E HN 0.384 nan 8.360 nan 0.000 0.418 1058 Y N 2.795 122.451 120.300 -1.075 0.000 2.323 1058 Y HA 0.190 4.740 4.550 -0.000 0.000 0.322 1058 Y C -1.365 174.186 175.900 -0.582 0.000 1.133 1058 Y CA -0.507 57.080 58.100 -0.854 0.000 1.093 1058 Y CB 1.344 39.120 38.460 -1.142 0.000 1.203 1058 Y HN 0.509 nan 8.280 nan 0.000 0.427 1059 Q N 5.596 124.741 119.800 -1.092 0.000 2.215 1059 Q HA 0.744 5.084 4.340 -0.000 0.000 0.256 1059 Q C -1.345 173.987 176.000 -1.113 0.000 0.972 1059 Q CA -0.847 54.412 55.803 -0.907 0.000 0.889 1059 Q CB 1.475 29.664 28.738 -0.916 0.000 1.281 1059 Q HN 0.753 nan 8.270 nan 0.000 0.456 1060 I N 2.817 122.996 120.570 -0.652 0.000 2.534 1060 I HA 0.201 4.371 4.170 -0.000 0.000 0.288 1060 I C -0.426 175.504 176.117 -0.312 0.000 1.077 1060 I CA -0.993 60.005 61.300 -0.502 0.000 1.051 1060 I CB 1.853 39.707 38.000 -0.243 0.000 1.234 1060 I HN 0.528 nan 8.210 nan 0.000 0.425 1061 Q N 3.345 122.978 119.800 -0.278 0.000 2.432 1061 Q HA 0.197 4.537 4.340 -0.000 0.000 0.264 1061 Q C 0.853 176.820 176.000 -0.055 0.000 1.035 1061 Q CA 0.284 56.016 55.803 -0.118 0.000 0.908 1061 Q CB 1.165 29.872 28.738 -0.052 0.000 1.280 1061 Q HN 0.978 nan 8.270 nan 0.000 0.455 1062 G N 1.152 109.946 108.800 -0.010 0.000 3.979 1062 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.287 1062 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.287 1062 G C 0.181 175.074 174.900 -0.012 0.000 1.011 1062 G CA -0.313 44.778 45.100 -0.015 0.000 0.818 1062 G HN 0.593 nan 8.290 nan 0.000 0.470 1063 N N 0.544 119.233 118.700 -0.018 0.000 2.328 1063 N HA 0.159 4.899 4.740 -0.000 0.000 0.247 1063 N C 0.141 175.631 175.510 -0.033 0.000 1.165 1063 N CA 0.113 53.143 53.050 -0.033 0.000 0.873 1063 N CB 0.303 38.754 38.487 -0.061 0.000 1.125 1063 N HN 0.218 nan 8.380 nan 0.000 0.513 1064 S N -1.571 114.115 115.700 -0.022 0.000 2.705 1064 S HA 0.814 5.284 4.470 -0.000 0.000 0.280 1064 S C -0.845 173.749 174.600 -0.011 0.000 1.174 1064 S CA -0.828 57.361 58.200 -0.018 0.000 0.823 1064 S CB 1.032 64.223 63.200 -0.015 0.000 1.162 1064 S HN 0.315 nan 8.310 nan 0.000 0.487 1065 A N 0.419 123.234 122.820 -0.008 0.000 2.401 1065 A HA 0.432 4.752 4.320 -0.000 0.000 0.259 1065 A C 0.910 178.493 177.584 -0.002 0.000 1.103 1065 A CA -0.302 51.732 52.037 -0.005 0.000 0.789 1065 A CB -0.617 18.381 19.000 -0.004 0.000 1.035 1065 A HN 0.956 nan 8.150 nan 0.000 0.491 1066 E N 1.443 121.642 120.200 -0.001 0.000 2.396 1066 E HA -0.284 4.066 4.350 -0.000 0.000 0.209 1066 E C 1.109 177.711 176.600 0.004 0.000 1.056 1066 E CA 1.361 57.762 56.400 0.001 0.000 0.851 1066 E CB -0.111 29.589 29.700 0.000 0.000 0.754 1066 E HN 0.722 nan 8.360 nan 0.000 0.504 1067 N N 0.521 119.223 118.700 0.003 0.000 2.247 1067 N HA -0.212 4.528 4.740 -0.000 0.000 0.189 1067 N C 1.249 176.764 175.510 0.007 0.000 1.009 1067 N CA 1.301 54.353 53.050 0.004 0.000 0.872 1067 N CB 0.131 38.619 38.487 0.002 0.000 0.980 1067 N HN 0.380 nan 8.380 nan 0.000 0.436 1068 E N -1.744 118.461 120.200 0.009 0.000 2.712 1068 E HA -0.004 4.346 4.350 -0.000 0.000 0.221 1068 E C 0.312 176.923 176.600 0.018 0.000 0.943 1068 E CA 0.117 56.523 56.400 0.011 0.000 1.259 1068 E CB 0.105 29.809 29.700 0.006 0.000 1.167 1068 E HN 0.220 nan 8.360 nan 0.000 0.569 1069 N N 1.474 120.186 118.700 0.020 0.000 1.704 1069 N HA -0.336 4.404 4.740 -0.000 0.000 0.208 1069 N C 0.939 176.473 175.510 0.040 0.000 1.385 1069 N CA 2.284 55.354 53.050 0.033 0.000 4.019 1069 N CB -2.484 36.026 38.487 0.039 0.000 0.691 1069 N HN 0.415 nan 8.380 nan 0.000 0.308 1070 N N 1.988 120.712 118.700 0.039 0.000 2.002 1070 N HA -0.235 4.505 4.740 -0.000 0.000 0.199 1070 N C 0.524 176.092 175.510 0.097 0.000 1.060 1070 N CA 3.412 56.504 53.050 0.070 0.000 0.867 1070 N CB -0.918 37.616 38.487 0.078 0.000 1.069 1070 N HN 1.297 nan 8.380 nan 0.000 0.430 1071 S N -0.810 114.875 115.700 -0.024 0.000 3.828 1071 S HA -0.169 4.301 4.470 -0.000 0.000 0.853 1071 S C -0.387 174.141 174.600 -0.120 0.000 1.181 1071 S CA 0.798 58.809 58.200 -0.316 0.000 1.026 1071 S CB -1.902 61.127 63.200 -0.285 0.000 1.377 1071 S HN 0.698 nan 8.310 nan 0.000 0.295 1072 W N 1.095 122.172 121.300 -0.372 0.000 3.032 1072 W HA 0.774 5.434 4.660 -0.000 0.000 0.341 1072 W C -0.606 175.847 176.519 -0.111 0.000 1.202 1072 W CA -0.803 56.471 57.345 -0.119 0.000 1.132 1072 W CB 0.323 29.719 29.460 -0.106 0.000 1.465 1072 W HN 0.541 nan 8.180 nan 0.000 0.576 1073 T N 2.152 117.034 114.554 0.546 0.000 2.794 1073 T HA 0.216 4.566 4.350 -0.000 0.000 0.296 1073 T C 0.864 175.723 174.700 0.264 0.000 0.949 1073 T CA -0.291 62.102 62.100 0.488 0.000 1.101 1073 T CB 1.105 70.216 68.868 0.404 0.000 0.905 1073 T HN 0.507 nan 8.240 nan 0.000 0.516 1074 R N 2.214 122.756 120.500 0.070 0.000 2.090 1074 R HA 0.359 4.699 4.340 -0.000 0.000 0.219 1074 R C 0.157 176.474 176.300 0.028 0.000 1.100 1074 R CA 0.379 56.506 56.100 0.045 0.000 0.991 1074 R CB 0.423 30.698 30.300 -0.042 0.000 0.893 1074 R HN 0.411 nan 8.270 nan 0.000 0.443 1075 V N -0.759 119.145 119.914 -0.017 0.000 3.000 1075 V HA 0.664 4.784 4.120 -0.000 0.000 0.300 1075 V C -2.002 174.082 176.094 -0.018 0.000 1.251 1075 V CA -0.569 61.776 62.300 0.075 0.000 0.972 1075 V CB 2.113 34.029 31.823 0.154 0.000 1.065 1075 V HN 0.156 nan 8.190 nan 0.000 0.431 1076 A N 5.739 128.596 122.820 0.062 0.000 2.512 1076 A HA 0.851 5.171 4.320 -0.000 0.000 0.290 1076 A C -1.355 176.266 177.584 0.062 0.000 1.041 1076 A CA -0.323 51.714 52.037 -0.000 0.000 0.911 1076 A CB 0.730 19.853 19.000 0.206 0.000 1.407 1076 A HN 1.845 nan 8.150 nan 0.000 0.398 1077 F N -0.450 119.540 119.950 0.068 0.000 2.741 1077 F HA 0.913 5.440 4.527 -0.000 0.000 0.311 1077 F C -0.436 175.381 175.800 0.029 0.000 1.149 1077 F CA -0.788 57.224 58.000 0.020 0.000 0.930 1077 F CB 0.914 39.908 39.000 -0.009 0.000 1.312 1077 F HN 1.139 nan 8.300 nan 0.000 0.450 1078 A N 0.530 123.484 122.820 0.223 0.000 2.435 1078 A HA 1.025 5.345 4.320 -0.000 0.000 0.304 1078 A C -0.477 176.995 177.584 -0.186 0.000 1.064 1078 A CA -0.280 51.763 52.037 0.010 0.000 0.727 1078 A CB 1.407 20.417 19.000 0.016 0.000 1.284 1078 A HN 2.029 nan 8.150 nan 0.000 0.415 1079 G N -0.631 107.717 108.800 -0.753 0.000 2.706 1079 G HA2 0.618 4.578 3.960 -0.000 0.000 0.307 1079 G HA3 0.618 4.578 3.960 -0.000 0.000 0.307 1079 G C -2.323 172.044 174.900 -0.888 0.000 1.307 1079 G CA -0.469 44.139 45.100 -0.821 0.000 0.790 1079 G HN 0.896 nan 8.290 nan 0.000 0.503 1080 L N -0.183 120.780 121.223 -0.433 0.000 2.482 1080 L HA 0.674 5.014 4.340 -0.000 0.000 0.263 1080 L C -0.699 176.030 176.870 -0.234 0.000 0.957 1080 L CA -0.837 53.815 54.840 -0.313 0.000 0.836 1080 L CB 2.331 44.086 42.059 -0.508 0.000 1.324 1080 L HN 0.607 nan 8.230 nan 0.000 0.406 1081 K N 2.193 122.513 120.400 -0.133 0.000 2.483 1081 K HA 0.441 4.761 4.320 -0.000 0.000 0.256 1081 K C 0.001 176.572 176.600 -0.049 0.000 0.961 1081 K CA -0.313 55.971 56.287 -0.005 0.000 0.873 1081 K CB 0.935 33.475 32.500 0.066 0.000 1.107 1081 K HN 0.332 nan 8.250 nan 0.000 0.432 1082 F N 2.401 122.436 119.950 0.142 0.000 2.187 1082 F HA -0.113 4.414 4.527 -0.000 0.000 0.295 1082 F C 1.709 177.567 175.800 0.097 0.000 1.091 1082 F CA 1.323 59.399 58.000 0.126 0.000 1.308 1082 F CB 0.133 39.224 39.000 0.151 0.000 1.030 1082 F HN 0.795 nan 8.300 nan 0.000 0.487 1083 Q N -2.167 117.777 119.800 0.239 0.000 7.949 1083 Q HA -0.160 4.180 4.340 -0.000 0.000 0.369 1083 Q C 0.645 176.726 176.000 0.136 0.000 0.948 1083 Q CA 0.913 56.808 55.803 0.154 0.000 0.540 1083 Q CB -1.092 27.732 28.738 0.143 0.000 0.156 1083 Q HN 0.083 nan 8.270 nan 0.000 0.899 1084 D N 0.819 121.315 120.400 0.161 0.000 2.255 1084 D HA 0.083 4.723 4.640 -0.000 0.000 0.224 1084 D C 1.950 178.406 176.300 0.260 0.000 0.997 1084 D CA 1.773 55.882 54.000 0.182 0.000 0.906 1084 D CB 0.072 40.975 40.800 0.173 0.000 1.047 1084 D HN 0.179 nan 8.370 nan 0.000 0.458 1085 V N 0.933 121.029 119.914 0.304 0.000 2.277 1085 V HA -0.203 3.917 4.120 -0.000 0.000 0.255 1085 V C 1.600 177.940 176.094 0.411 0.000 1.059 1085 V CA 2.084 64.626 62.300 0.403 0.000 1.096 1085 V CB -1.423 30.567 31.823 0.279 0.000 0.741 1085 V HN 0.588 nan 8.190 nan 0.000 0.476 1086 G N -1.440 107.543 108.800 0.305 0.000 2.350 1086 G HA2 0.418 4.378 3.960 -0.000 0.000 0.282 1086 G HA3 0.418 4.378 3.960 -0.000 0.000 0.282 1086 G C -0.662 174.312 174.900 0.124 0.000 1.314 1086 G CA 0.111 45.216 45.100 0.008 0.000 0.915 1086 G HN 1.409 nan 8.290 nan 0.000 0.499 1087 S N -1.157 114.494 115.700 -0.082 0.000 2.578 1087 S HA 0.866 5.336 4.470 -0.000 0.000 0.301 1087 S C -0.998 173.754 174.600 0.254 0.000 1.091 1087 S CA -0.519 57.733 58.200 0.086 0.000 1.032 1087 S CB 2.177 65.392 63.200 0.024 0.000 1.064 1087 S HN 1.871 nan 8.310 nan 0.000 0.508 1088 F N 1.370 121.414 119.950 0.157 0.000 2.565 1088 F HA 0.713 5.240 4.527 -0.000 0.000 0.313 1088 F C -1.941 173.926 175.800 0.111 0.000 1.091 1088 F CA -0.621 57.501 58.000 0.203 0.000 0.915 1088 F CB 1.848 41.033 39.000 0.308 0.000 1.208 1088 F HN 0.877 nan 8.300 nan 0.000 0.453 1089 D N 3.369 123.229 120.400 -0.901 0.000 2.977 1089 D HA 0.241 4.881 4.640 -0.000 0.000 0.220 1089 D C -1.922 173.856 176.300 -0.870 0.000 1.267 1089 D CA -0.483 53.018 54.000 -0.830 0.000 0.884 1089 D CB 1.144 41.732 40.800 -0.354 0.000 1.667 1089 D HN 0.477 nan 8.370 nan 0.000 0.536 1090 Y N 1.869 121.721 120.300 -0.746 0.000 2.335 1090 Y HA 0.716 5.266 4.550 -0.000 0.000 0.323 1090 Y C 0.716 176.619 175.900 0.006 0.000 1.224 1090 Y CA 0.893 58.849 58.100 -0.240 0.000 1.241 1090 Y CB 1.396 39.843 38.460 -0.022 0.000 1.235 1090 Y HN 0.922 nan 8.280 nan 0.000 0.492 1091 G N 3.614 111.913 108.800 -0.835 0.000 2.357 1091 G HA2 0.037 3.997 3.960 -0.000 0.000 0.289 1091 G HA3 0.037 3.997 3.960 -0.000 0.000 0.289 1091 G C -1.678 173.111 174.900 -0.185 0.000 1.302 1091 G CA -1.155 43.709 45.100 -0.393 0.000 0.936 1091 G HN 0.788 nan 8.290 nan 0.000 0.513 1092 R N 0.985 121.500 120.500 0.026 0.000 2.288 1092 R HA 0.449 4.789 4.340 -0.000 0.000 0.330 1092 R C -0.441 176.039 176.300 0.299 0.000 1.069 1092 R CA -0.155 55.994 56.100 0.081 0.000 0.941 1092 R CB -0.035 30.302 30.300 0.062 0.000 0.998 1092 R HN 0.530 nan 8.270 nan 0.000 0.452 1093 N N 2.569 121.481 118.700 0.354 0.000 3.343 1093 N HA 0.263 5.003 4.740 -0.000 0.000 0.330 1093 N C -1.548 174.142 175.510 0.299 0.000 1.560 1093 N CA -0.669 52.595 53.050 0.357 0.000 0.752 1093 N CB 0.818 39.351 38.487 0.077 0.000 1.863 1093 N HN 0.370 nan 8.380 nan 0.000 0.636 1094 Y N -0.067 120.188 120.300 -0.075 0.000 2.320 1094 Y HA 0.448 4.998 4.550 -0.000 0.000 0.324 1094 Y C 1.421 177.059 175.900 -0.437 0.000 1.190 1094 Y CA -0.709 57.274 58.100 -0.195 0.000 1.215 1094 Y CB 1.022 39.329 38.460 -0.255 0.000 1.221 1094 Y HN 0.441 nan 8.280 nan 0.000 0.486 1095 G N 0.527 109.174 108.800 -0.255 0.000 2.572 1095 G HA2 0.292 4.252 3.960 -0.000 0.000 0.261 1095 G HA3 0.292 4.252 3.960 -0.000 0.000 0.261 1095 G C 0.888 175.606 174.900 -0.303 0.000 1.197 1095 G CA -0.395 44.371 45.100 -0.556 0.000 0.870 1095 G HN 0.668 nan 8.290 nan 0.000 0.548 1096 V N 0.153 119.876 119.914 -0.318 0.000 2.427 1096 V HA -0.129 3.991 4.120 -0.000 0.000 0.248 1096 V C 2.777 178.794 176.094 -0.130 0.000 1.051 1096 V CA 1.222 63.412 62.300 -0.183 0.000 1.048 1096 V CB -1.091 30.652 31.823 -0.133 0.000 0.666 1096 V HN 0.391 nan 8.190 nan 0.000 0.456 1097 V N -0.168 119.676 119.914 -0.117 0.000 2.764 1097 V HA -0.291 3.829 4.120 -0.000 0.000 0.261 1097 V C 2.259 178.256 176.094 -0.161 0.000 1.108 1097 V CA 2.428 64.647 62.300 -0.134 0.000 1.129 1097 V CB -0.981 30.764 31.823 -0.130 0.000 0.701 1097 V HN 0.772 nan 8.190 nan 0.000 0.495 1098 Y N 0.600 120.756 120.300 -0.239 0.000 2.561 1098 Y HA -0.085 4.465 4.550 -0.000 0.000 0.291 1098 Y C 1.980 177.722 175.900 -0.263 0.000 1.141 1098 Y CA 0.974 58.938 58.100 -0.226 0.000 1.303 1098 Y CB 0.022 38.443 38.460 -0.065 0.000 1.015 1098 Y HN 0.398 nan 8.280 nan 0.000 0.547 1099 D N -0.622 119.609 120.400 -0.280 0.000 2.144 1099 D HA -0.168 4.472 4.640 -0.000 0.000 0.199 1099 D C 2.039 177.842 176.300 -0.827 0.000 0.984 1099 D CA 1.763 55.488 54.000 -0.459 0.000 0.834 1099 D CB -0.136 40.449 40.800 -0.359 0.000 0.955 1099 D HN 0.305 nan 8.370 nan 0.000 0.465 1100 V N 0.131 119.626 119.914 -0.698 0.000 3.263 1100 V HA -0.046 4.074 4.120 -0.000 0.000 0.248 1100 V C 2.456 178.209 176.094 -0.568 0.000 1.145 1100 V CA 1.372 63.137 62.300 -0.892 0.000 1.107 1100 V CB -0.198 31.297 31.823 -0.547 0.000 0.797 1100 V HN 0.297 nan 8.190 nan 0.000 0.467 1101 T N -0.483 113.780 114.554 -0.486 0.000 2.904 1101 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 1101 T C 2.085 176.548 174.700 -0.394 0.000 1.059 1101 T CA 1.575 63.449 62.100 -0.377 0.000 1.137 1101 T CB -0.472 68.147 68.868 -0.415 0.000 0.879 1101 T HN 0.572 nan 8.240 nan 0.000 0.467 1102 S N 0.460 115.661 115.700 -0.832 0.000 2.402 1102 S HA -0.193 4.277 4.470 -0.000 0.000 0.233 1102 S C 1.786 176.335 174.600 -0.086 0.000 1.030 1102 S CA 0.940 58.709 58.200 -0.718 0.000 1.003 1102 S CB -1.657 60.881 63.200 -1.103 0.000 0.813 1102 S HN 0.809 nan 8.310 nan 0.000 0.477 1103 W N 2.301 123.496 121.300 -0.176 0.000 2.276 1103 W HA -0.271 4.389 4.660 -0.000 0.000 0.307 1103 W C 2.653 179.200 176.519 0.047 0.000 1.240 1103 W CA 1.161 58.491 57.345 -0.026 0.000 1.249 1103 W CB -0.545 28.898 29.460 -0.028 0.000 1.140 1103 W HN 0.642 nan 8.180 nan 0.000 0.519 1104 T N -4.288 110.381 114.554 0.193 0.000 3.044 1104 T HA 0.012 4.362 4.350 -0.000 0.000 0.260 1104 T C 0.077 174.834 174.700 0.095 0.000 1.019 1104 T CA -0.036 62.153 62.100 0.149 0.000 0.921 1104 T CB -0.031 68.902 68.868 0.108 0.000 1.053 1104 T HN -0.173 nan 8.240 nan 0.000 0.533 1105 D N 2.611 123.068 120.400 0.095 0.000 2.470 1105 D HA 0.251 4.891 4.640 -0.000 0.000 0.226 1105 D C 0.775 177.103 176.300 0.046 0.000 1.196 1105 D CA -0.239 53.827 54.000 0.110 0.000 0.979 1105 D CB 0.218 41.159 40.800 0.235 0.000 1.059 1105 D HN 0.322 nan 8.370 nan 0.000 0.515 1106 V N 1.253 121.163 119.914 -0.007 0.000 3.399 1106 V HA 0.245 4.365 4.120 -0.000 0.000 0.357 1106 V C 0.485 176.544 176.094 -0.059 0.000 1.480 1106 V CA -0.652 61.599 62.300 -0.081 0.000 1.263 1106 V CB -1.054 30.627 31.823 -0.237 0.000 1.103 1106 V HN 0.229 nan 8.190 nan 0.000 0.533 1107 L N 0.870 122.091 121.223 -0.004 0.000 2.473 1107 L HA 0.277 4.617 4.340 -0.000 0.000 0.268 1107 L C -0.643 176.194 176.870 -0.055 0.000 1.215 1107 L CA -1.127 53.723 54.840 0.017 0.000 0.823 1107 L CB 0.101 42.221 42.059 0.102 0.000 1.099 1107 L HN 0.065 nan 8.230 nan 0.000 0.483 1108 P HA -0.203 nan 4.420 nan 0.000 0.216 1108 P C 0.806 177.874 177.300 -0.387 0.000 1.150 1108 P CA 1.425 64.431 63.100 -0.157 0.000 0.843 1108 P CB 0.381 32.087 31.700 0.010 0.000 0.787 1109 E N -2.931 117.073 120.200 -0.326 0.000 3.155 1109 E HA 0.106 4.456 4.350 -0.000 0.000 0.208 1109 E C 0.862 177.136 176.600 -0.544 0.000 1.060 1109 E CA -0.106 55.979 56.400 -0.526 0.000 1.522 1109 E CB -0.601 28.764 29.700 -0.559 0.000 1.433 1109 E HN -0.147 nan 8.360 nan 0.000 0.709 1110 F N 1.662 121.615 119.950 0.004 0.000 2.142 1110 F HA 0.383 4.910 4.527 -0.000 0.000 0.262 1110 F C 1.822 177.657 175.800 0.057 0.000 1.157 1110 F CA 1.317 59.316 58.000 -0.002 0.000 1.267 1110 F CB -0.846 38.111 39.000 -0.072 0.000 1.637 1110 F HN 0.299 nan 8.300 nan 0.000 0.484 1111 G N -1.251 107.786 108.800 0.394 0.000 2.877 1111 G HA2 0.320 4.280 3.960 -0.000 0.000 0.279 1111 G HA3 0.320 4.280 3.960 -0.000 0.000 0.279 1111 G C 0.605 175.537 174.900 0.053 0.000 1.431 1111 G CA -0.193 45.036 45.100 0.215 0.000 0.883 1111 G HN 2.020 nan 8.290 nan 0.000 0.547 1112 G N -0.930 107.837 108.800 -0.055 0.000 2.225 1112 G HA2 0.038 3.998 3.960 -0.000 0.000 0.267 1112 G HA3 0.038 3.998 3.960 -0.000 0.000 0.267 1112 G C 0.427 174.868 174.900 -0.764 0.000 1.024 1112 G CA 1.351 46.273 45.100 -0.296 0.000 0.784 1112 G HN 2.317 nan 8.290 nan 0.000 0.507 1113 D N -0.799 119.317 120.400 -0.473 0.000 2.891 1113 D HA 0.227 4.867 4.640 -0.000 0.000 0.332 1113 D C 1.239 177.400 176.300 -0.232 0.000 1.369 1113 D CA 0.350 54.141 54.000 -0.348 0.000 0.827 1113 D CB -0.485 40.256 40.800 -0.098 0.000 1.141 1113 D HN 0.385 nan 8.370 nan 0.000 0.464 1114 T N -2.769 111.611 114.554 -0.290 0.000 3.134 1114 T HA 0.288 4.638 4.350 -0.000 0.000 0.260 1114 T C 0.160 174.965 174.700 0.175 0.000 1.027 1114 T CA -0.166 61.935 62.100 0.002 0.000 0.913 1114 T CB -0.588 68.335 68.868 0.093 0.000 1.046 1114 T HN 0.311 nan 8.240 nan 0.000 0.553 1115 Y N -1.795 118.519 120.300 0.025 0.000 2.840 1115 Y HA 0.848 5.398 4.550 -0.000 0.000 0.324 1115 Y C 0.102 176.010 175.900 0.013 0.000 1.378 1115 Y CA -1.708 56.409 58.100 0.028 0.000 1.077 1115 Y CB 0.682 39.172 38.460 0.050 0.000 1.361 1115 Y HN 0.131 nan 8.280 nan 0.000 0.459 1116 G N -0.365 108.564 108.800 0.216 0.000 2.911 1116 G HA2 0.526 4.486 3.960 -0.000 0.000 0.299 1116 G HA3 0.526 4.486 3.960 -0.000 0.000 0.299 1116 G C -1.655 173.254 174.900 0.015 0.000 1.283 1116 G CA -1.139 43.983 45.100 0.037 0.000 0.805 1116 G HN 0.591 nan 8.290 nan 0.000 0.548 1117 S N 0.789 116.431 115.700 -0.097 0.000 2.525 1117 S HA 0.463 4.933 4.470 -0.000 0.000 0.278 1117 S C -0.604 173.892 174.600 -0.174 0.000 1.234 1117 S CA -0.172 57.938 58.200 -0.151 0.000 1.058 1117 S CB 0.928 64.000 63.200 -0.214 0.000 0.983 1117 S HN 0.563 nan 8.310 nan 0.000 0.495 1118 D N 1.927 122.219 120.400 -0.178 0.000 2.699 1118 D HA -0.154 4.486 4.640 -0.000 0.000 0.239 1118 D C -0.538 175.589 176.300 -0.289 0.000 1.136 1118 D CA 0.540 54.397 54.000 -0.238 0.000 0.668 1118 D CB -1.090 39.561 40.800 -0.248 0.000 1.060 1118 D HN 0.485 nan 8.370 nan 0.000 0.429 1119 N N 0.218 118.789 118.700 -0.215 0.000 2.813 1119 N HA 0.243 4.983 4.740 -0.000 0.000 0.282 1119 N C 0.499 175.982 175.510 -0.044 0.000 1.748 1119 N CA -0.432 52.499 53.050 -0.199 0.000 0.860 1119 N CB 0.007 38.491 38.487 -0.005 0.000 1.204 1119 N HN 0.047 nan 8.380 nan 0.000 0.490 1120 F N 0.081 120.022 119.950 -0.014 0.000 2.756 1120 F HA -0.436 4.091 4.527 -0.000 0.000 0.240 1120 F C 1.520 177.375 175.800 0.092 0.000 1.487 1120 F CA 1.765 59.770 58.000 0.007 0.000 1.859 1120 F CB -0.817 38.189 39.000 0.009 0.000 1.319 1120 F HN 0.300 nan 8.300 nan 0.000 0.230 1121 M N -0.439 119.397 119.600 0.392 0.000 2.405 1121 M HA 0.164 4.644 4.480 -0.000 0.000 0.292 1121 M C 1.284 177.674 176.300 0.149 0.000 1.111 1121 M CA 0.177 55.679 55.300 0.336 0.000 0.979 1121 M CB 0.507 33.253 32.600 0.243 0.000 1.426 1121 M HN 0.459 nan 8.290 nan 0.000 0.509 1122 Q N 1.176 121.059 119.800 0.137 0.000 2.096 1122 Q HA -0.047 4.293 4.340 -0.000 0.000 0.204 1122 Q C 0.931 176.923 176.000 -0.013 0.000 0.982 1122 Q CA 1.369 57.185 55.803 0.021 0.000 0.850 1122 Q CB 0.397 29.175 28.738 0.067 0.000 0.901 1122 Q HN 0.369 nan 8.270 nan 0.000 0.422 1123 Q N -0.568 119.255 119.800 0.038 0.000 2.353 1123 Q HA 0.215 4.555 4.340 -0.000 0.000 0.275 1123 Q C -1.438 174.510 176.000 -0.087 0.000 1.029 1123 Q CA -0.564 55.202 55.803 -0.063 0.000 0.848 1123 Q CB 1.665 30.460 28.738 0.095 0.000 1.390 1123 Q HN 0.200 nan 8.270 nan 0.000 0.401 1124 R N 0.552 120.896 120.500 -0.260 0.000 1.807 1124 R HA -0.164 4.176 4.340 -0.000 0.000 0.324 1124 R C -0.556 175.698 176.300 -0.078 0.000 1.252 1124 R CA 1.579 57.522 56.100 -0.261 0.000 1.266 1124 R CB -0.762 29.209 30.300 -0.548 0.000 3.480 1124 R HN 0.869 nan 8.270 nan 0.000 0.472 1125 G N 2.550 111.343 108.800 -0.011 0.000 2.488 1125 G HA2 0.296 4.256 3.960 -0.000 0.000 0.301 1125 G HA3 0.296 4.256 3.960 -0.000 0.000 0.301 1125 G C -1.508 173.183 174.900 -0.348 0.000 1.339 1125 G CA -0.948 44.020 45.100 -0.219 0.000 0.803 1125 G HN 0.570 nan 8.290 nan 0.000 0.482 1126 N N -0.595 117.865 118.700 -0.399 0.000 2.509 1126 N HA 0.482 5.222 4.740 -0.000 0.000 0.287 1126 N C 0.756 175.985 175.510 -0.469 0.000 1.121 1126 N CA 0.613 53.468 53.050 -0.325 0.000 0.977 1126 N CB 1.475 39.846 38.487 -0.194 0.000 1.167 1126 N HN 1.585 nan 8.380 nan 0.000 0.476 1127 G N 0.846 109.440 108.800 -0.343 0.000 2.212 1127 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.255 1127 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.255 1127 G C -0.533 174.314 174.900 -0.088 0.000 1.062 1127 G CA -0.442 44.539 45.100 -0.198 0.000 0.815 1127 G HN 0.472 nan 8.290 nan 0.000 0.497 1128 F N 0.804 120.672 119.950 -0.136 0.000 2.405 1128 F HA 0.580 5.107 4.527 -0.000 0.000 0.355 1128 F C 0.779 176.618 175.800 0.064 0.000 1.121 1128 F CA -0.363 57.625 58.000 -0.020 0.000 1.112 1128 F CB 1.662 40.611 39.000 -0.085 0.000 1.126 1128 F HN 0.335 nan 8.300 nan 0.000 0.481 1129 A N 3.187 126.321 122.820 0.523 0.000 2.271 1129 A HA 0.719 5.039 4.320 -0.000 0.000 0.317 1129 A C -0.558 177.233 177.584 0.345 0.000 1.245 1129 A CA -0.450 51.872 52.037 0.476 0.000 0.857 1129 A CB 0.703 20.147 19.000 0.739 0.000 1.175 1129 A HN 0.650 nan 8.150 nan 0.000 0.512 1130 T N 1.859 116.498 114.554 0.142 0.000 2.848 1130 T HA 0.479 4.829 4.350 -0.000 0.000 0.285 1130 T C -1.275 173.590 174.700 0.276 0.000 0.995 1130 T CA -0.155 62.023 62.100 0.131 0.000 0.970 1130 T CB 0.963 69.779 68.868 -0.086 0.000 0.976 1130 T HN 0.516 nan 8.240 nan 0.000 0.441 1131 Y N 3.434 123.825 120.300 0.151 0.000 2.335 1131 Y HA 0.619 5.169 4.550 -0.000 0.000 0.338 1131 Y C -0.324 175.554 175.900 -0.037 0.000 0.977 1131 Y CA -1.072 57.111 58.100 0.140 0.000 1.114 1131 Y CB 0.891 39.454 38.460 0.171 0.000 1.182 1131 Y HN 0.548 nan 8.280 nan 0.000 0.463 1132 R N 4.382 124.437 120.500 -0.743 0.000 2.686 1132 R HA 0.453 4.793 4.340 -0.000 0.000 0.286 1132 R C -1.596 174.084 176.300 -1.033 0.000 0.969 1132 R CA -1.229 54.404 56.100 -0.778 0.000 0.898 1132 R CB 1.793 31.839 30.300 -0.422 0.000 1.183 1132 R HN 0.647 nan 8.270 nan 0.000 0.456 1133 N N -0.155 117.953 118.700 -0.986 0.000 2.249 1133 N HA 0.229 4.969 4.740 -0.000 0.000 0.296 1133 N C -0.433 174.779 175.510 -0.497 0.000 1.051 1133 N CA -0.344 52.191 53.050 -0.858 0.000 0.815 1133 N CB 2.418 40.172 38.487 -1.221 0.000 1.487 1133 N HN 0.445 nan 8.380 nan 0.000 0.475 1134 T N 0.689 115.048 114.554 -0.325 0.000 2.988 1134 T HA 0.165 4.515 4.350 -0.000 0.000 0.240 1134 T C -0.902 173.789 174.700 -0.014 0.000 1.014 1134 T CA 0.931 62.943 62.100 -0.147 0.000 1.155 1134 T CB -0.110 68.687 68.868 -0.119 0.000 0.872 1134 T HN 0.660 nan 8.240 nan 0.000 0.440 1135 D N 0.752 121.160 120.400 0.013 0.000 2.378 1135 D HA 0.289 4.929 4.640 -0.000 0.000 0.265 1135 D C -0.784 175.648 176.300 0.220 0.000 1.229 1135 D CA -0.547 53.538 54.000 0.142 0.000 0.914 1135 D CB -0.016 40.869 40.800 0.142 0.000 1.140 1135 D HN 0.119 nan 8.370 nan 0.000 0.516 1136 F N 2.727 122.713 119.950 0.060 0.000 2.246 1136 F HA -0.332 4.195 4.527 -0.000 0.000 0.134 1136 F C -0.125 175.825 175.800 0.251 0.000 1.059 1136 F CA 0.512 58.582 58.000 0.115 0.000 0.750 1136 F CB -1.255 37.908 39.000 0.270 0.000 0.614 1136 F HN 0.486 nan 8.300 nan 0.000 0.798 1137 F N -0.097 119.891 119.950 0.065 0.000 2.988 1137 F HA -0.205 4.322 4.527 -0.000 0.000 0.287 1137 F C 1.513 177.340 175.800 0.045 0.000 0.781 1137 F CA 0.797 58.794 58.000 -0.005 0.000 1.221 1137 F CB -1.627 37.297 39.000 -0.126 0.000 1.392 1137 F HN 0.843 nan 8.300 nan 0.000 0.425 1138 G N 0.117 109.016 108.800 0.165 0.000 2.176 1138 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.253 1138 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.253 1138 G C 0.145 175.139 174.900 0.156 0.000 0.979 1138 G CA 0.133 45.315 45.100 0.136 0.000 0.641 1138 G HN 1.254 nan 8.290 nan 0.000 0.530 1139 L N -1.258 120.092 121.223 0.212 0.000 2.960 1139 L HA 0.821 5.161 4.340 -0.000 0.000 0.274 1139 L C -0.224 176.801 176.870 0.258 0.000 1.327 1139 L CA -0.414 54.551 54.840 0.209 0.000 0.860 1139 L CB 0.007 42.178 42.059 0.187 0.000 1.239 1139 L HN 1.290 nan 8.230 nan 0.000 0.551 1140 V N 0.212 120.266 119.914 0.234 0.000 2.455 1140 V HA 0.252 4.372 4.120 -0.000 0.000 0.262 1140 V C -2.336 173.904 176.094 0.244 0.000 1.810 1140 V CA -0.316 62.113 62.300 0.216 0.000 0.759 1140 V CB 1.465 33.413 31.823 0.207 0.000 1.316 1140 V HN 0.644 nan 8.190 nan 0.000 0.460 1141 D N 4.355 124.905 120.400 0.250 0.000 2.593 1141 D HA 0.733 5.373 4.640 -0.000 0.000 0.251 1141 D C 0.638 177.096 176.300 0.263 0.000 1.140 1141 D CA 1.226 55.359 54.000 0.223 0.000 0.855 1141 D CB 1.685 42.586 40.800 0.169 0.000 1.267 1141 D HN 1.977 nan 8.370 nan 0.000 0.532 1142 G N 2.721 111.643 108.800 0.204 0.000 2.160 1142 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 1142 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 1142 G C -0.343 174.744 174.900 0.313 0.000 1.022 1142 G CA 0.125 45.318 45.100 0.155 0.000 0.741 1142 G HN 0.483 nan 8.290 nan 0.000 0.508 1143 L N 1.475 122.944 121.223 0.409 0.000 2.313 1143 L HA 0.776 5.116 4.340 -0.000 0.000 0.283 1143 L C 0.067 177.134 176.870 0.329 0.000 1.013 1143 L CA -0.569 54.531 54.840 0.434 0.000 0.816 1143 L CB 0.961 43.186 42.059 0.277 0.000 1.236 1143 L HN 0.500 nan 8.230 nan 0.000 0.419 1144 N N 3.139 122.026 118.700 0.313 0.000 3.046 1144 N HA 0.624 5.364 4.740 -0.000 0.000 0.243 1144 N C -1.540 174.179 175.510 0.349 0.000 1.452 1144 N CA -0.818 52.419 53.050 0.312 0.000 0.882 1144 N CB 1.939 40.482 38.487 0.093 0.000 1.425 1144 N HN 0.400 nan 8.380 nan 0.000 0.517 1145 F N -2.415 117.561 119.950 0.043 0.000 2.713 1145 F HA 0.902 5.428 4.527 -0.000 0.000 0.311 1145 F C -2.133 173.689 175.800 0.036 0.000 1.141 1145 F CA -0.837 57.198 58.000 0.058 0.000 0.939 1145 F CB 1.285 40.366 39.000 0.136 0.000 1.325 1145 F HN 0.828 nan 8.300 nan 0.000 0.453 1146 A N 1.846 124.712 122.820 0.077 0.000 2.520 1146 A HA 0.798 5.118 4.320 -0.000 0.000 0.298 1146 A C -2.245 175.459 177.584 0.200 0.000 1.051 1146 A CA -0.719 51.304 52.037 -0.024 0.000 0.690 1146 A CB 1.686 20.647 19.000 -0.066 0.000 1.281 1146 A HN 1.571 nan 8.150 nan 0.000 0.402 1147 V N 1.676 121.741 119.914 0.250 0.000 2.962 1147 V HA 0.894 5.014 4.120 -0.000 0.000 0.313 1147 V C -1.054 175.173 176.094 0.221 0.000 1.099 1147 V CA -0.159 62.297 62.300 0.259 0.000 0.971 1147 V CB 2.081 34.103 31.823 0.332 0.000 1.028 1147 V HN 1.342 nan 8.190 nan 0.000 0.430 1148 Q N 4.161 124.075 119.800 0.190 0.000 2.426 1148 Q HA 0.500 4.840 4.340 -0.000 0.000 0.278 1148 Q C -2.377 173.793 176.000 0.283 0.000 1.007 1148 Q CA -0.775 55.155 55.803 0.212 0.000 0.850 1148 Q CB 2.036 30.804 28.738 0.051 0.000 1.427 1148 Q HN 0.805 nan 8.270 nan 0.000 0.391 1149 Y N 2.153 122.593 120.300 0.233 0.000 2.341 1149 Y HA 0.430 4.980 4.550 -0.000 0.000 0.338 1149 Y C -1.552 174.543 175.900 0.325 0.000 0.965 1149 Y CA -0.414 57.831 58.100 0.240 0.000 1.108 1149 Y CB 2.031 40.618 38.460 0.211 0.000 1.180 1149 Y HN 0.801 nan 8.280 nan 0.000 0.458 1150 Q N 4.438 124.154 119.800 -0.140 0.000 2.331 1150 Q HA 0.702 5.042 4.340 -0.000 0.000 0.267 1150 Q C -0.377 175.343 176.000 -0.467 0.000 1.006 1150 Q CA -1.054 54.647 55.803 -0.170 0.000 0.818 1150 Q CB 1.916 30.607 28.738 -0.079 0.000 1.276 1150 Q HN 0.917 nan 8.270 nan 0.000 0.450 1151 G N 2.229 110.890 108.800 -0.232 0.000 2.483 1151 G HA2 0.134 4.094 3.960 -0.000 0.000 0.248 1151 G HA3 0.134 4.094 3.960 -0.000 0.000 0.248 1151 G C -0.624 174.222 174.900 -0.091 0.000 1.248 1151 G CA -0.771 44.254 45.100 -0.124 0.000 0.838 1151 G HN 0.785 nan 8.290 nan 0.000 0.566 1152 K N 1.385 121.756 120.400 -0.048 0.000 2.476 1152 K HA -0.105 4.215 4.320 -0.000 0.000 0.273 1152 K C -0.355 176.222 176.600 -0.038 0.000 1.056 1152 K CA 0.514 56.785 56.287 -0.026 0.000 1.150 1152 K CB -0.012 32.497 32.500 0.015 0.000 0.838 1152 K HN 0.561 nan 8.250 nan 0.000 0.486 1153 N N 4.282 122.937 118.700 -0.076 0.000 2.558 1153 N HA 0.113 4.853 4.740 -0.000 0.000 0.242 1153 N C 0.155 175.615 175.510 -0.082 0.000 0.979 1153 N CA -0.382 52.619 53.050 -0.082 0.000 0.931 1153 N CB 1.887 40.301 38.487 -0.122 0.000 1.122 1153 N HN 0.733 nan 8.380 nan 0.000 0.508 1154 G N 1.835 110.604 108.800 -0.052 0.000 3.199 1154 G HA2 0.030 3.990 3.960 -0.000 0.000 0.184 1154 G HA3 0.030 3.990 3.960 -0.000 0.000 0.184 1154 G C 0.346 175.195 174.900 -0.086 0.000 1.974 1154 G CA 0.078 45.150 45.100 -0.046 0.000 0.885 1154 G HN 0.350 nan 8.290 nan 0.000 0.575 1155 N N 0.783 119.432 118.700 -0.085 0.000 2.492 1155 N HA 0.351 5.091 4.740 -0.000 0.000 0.289 1155 N C -1.793 173.524 175.510 -0.322 0.000 1.133 1155 N CA -1.754 51.208 53.050 -0.147 0.000 0.961 1155 N CB 2.090 40.532 38.487 -0.075 0.000 1.186 1155 N HN -0.117 nan 8.380 nan 0.000 0.493 1156 P HA -0.056 nan 4.420 nan 0.000 0.216 1156 P C 0.684 177.049 177.300 -1.559 0.000 1.150 1156 P CA 1.156 63.758 63.100 -0.831 0.000 0.837 1156 P CB 0.395 31.783 31.700 -0.520 0.000 0.786 1157 S N -0.726 114.711 115.700 -0.439 0.000 2.496 1157 S HA 0.091 4.561 4.470 -0.000 0.000 0.302 1157 S C 1.563 176.488 174.600 0.541 0.000 1.450 1157 S CA 1.320 59.629 58.200 0.181 0.000 2.307 1157 S CB -1.157 62.094 63.200 0.085 0.000 0.510 1157 S HN 0.287 nan 8.310 nan 0.000 0.344 1158 G N 0.086 109.041 108.800 0.258 0.000 5.084 1158 G HA2 0.462 4.422 3.960 -0.000 0.000 0.241 1158 G HA3 0.462 4.422 3.960 -0.000 0.000 0.241 1158 G C -0.868 174.094 174.900 0.103 0.000 0.918 1158 G CA -0.064 45.134 45.100 0.163 0.000 0.754 1158 G HN 0.363 nan 8.290 nan 0.000 0.478 1159 E N -0.469 119.801 120.200 0.118 0.000 2.782 1159 E HA 0.416 4.766 4.350 -0.000 0.000 0.372 1159 E C 0.489 177.140 176.600 0.087 0.000 0.944 1159 E CA 0.080 56.530 56.400 0.083 0.000 0.749 1159 E CB 0.140 29.877 29.700 0.061 0.000 1.453 1159 E HN 1.154 nan 8.360 nan 0.000 0.402 1160 G N 3.527 112.380 108.800 0.089 0.000 2.159 1160 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.256 1160 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.256 1160 G C 0.337 175.311 174.900 0.123 0.000 0.977 1160 G CA -0.090 45.062 45.100 0.087 0.000 0.652 1160 G HN 0.486 nan 8.290 nan 0.000 0.531 1161 F N 2.144 122.100 119.950 0.010 0.000 2.703 1161 F HA 0.355 4.882 4.527 -0.000 0.000 0.324 1161 F C 1.440 177.246 175.800 0.009 0.000 1.174 1161 F CA 1.916 59.920 58.000 0.007 0.000 1.367 1161 F CB 0.622 39.627 39.000 0.008 0.000 1.065 1161 F HN 0.374 nan 8.300 nan 0.000 0.633 1162 T N 0.270 114.908 114.554 0.140 0.000 2.912 1162 T HA 0.341 4.691 4.350 -0.000 0.000 0.299 1162 T C 0.484 175.281 174.700 0.162 0.000 1.052 1162 T CA -0.290 61.885 62.100 0.125 0.000 0.996 1162 T CB 1.399 70.300 68.868 0.054 0.000 1.070 1162 T HN 0.844 nan 8.240 nan 0.000 0.465 1163 S N 2.642 118.454 115.700 0.187 0.000 2.225 1163 S HA -0.158 4.312 4.470 -0.000 0.000 0.410 1163 S C 1.066 175.727 174.600 0.101 0.000 1.068 1163 S CA 1.856 60.153 58.200 0.161 0.000 2.275 1163 S CB -1.402 61.860 63.200 0.105 0.000 1.740 1163 S HN 1.781 nan 8.310 nan 0.000 0.508 1164 G N 0.647 109.471 108.800 0.041 0.000 2.605 1164 G HA2 0.625 4.585 3.960 -0.000 0.000 0.304 1164 G HA3 0.625 4.585 3.960 -0.000 0.000 0.304 1164 G C -0.958 173.915 174.900 -0.045 0.000 1.333 1164 G CA 0.007 45.107 45.100 0.001 0.000 0.973 1164 G HN 0.970 nan 8.290 nan 0.000 0.507 1165 V N 0.272 120.124 119.914 -0.104 0.000 3.130 1165 V HA 0.918 5.038 4.120 -0.000 0.000 0.308 1165 V C -0.193 175.786 176.094 -0.190 0.000 1.572 1165 V CA -0.502 61.706 62.300 -0.154 0.000 1.012 1165 V CB 1.278 32.977 31.823 -0.205 0.000 1.052 1165 V HN 1.052 nan 8.190 nan 0.000 0.478 1166 T N -0.108 114.327 114.554 -0.199 0.000 2.733 1166 T HA 0.356 4.706 4.350 -0.000 0.000 0.312 1166 T C -1.402 173.203 174.700 -0.159 0.000 1.590 1166 T CA -0.233 61.764 62.100 -0.172 0.000 1.005 1166 T CB 1.716 70.487 68.868 -0.161 0.000 1.528 1166 T HN 1.223 nan 8.240 nan 0.000 0.496 1167 N N 1.842 120.458 118.700 -0.140 0.000 2.332 1167 N HA 0.235 4.975 4.740 -0.000 0.000 0.282 1167 N C 0.306 175.740 175.510 -0.127 0.000 1.288 1167 N CA -0.261 52.719 53.050 -0.117 0.000 0.949 1167 N CB 0.093 38.517 38.487 -0.106 0.000 1.108 1167 N HN 0.833 nan 8.380 nan 0.000 0.542 1168 N N -2.841 115.791 118.700 -0.113 0.000 2.113 1168 N HA 0.063 4.803 4.740 -0.000 0.000 0.223 1168 N C 1.444 176.867 175.510 -0.144 0.000 1.310 1168 N CA 0.231 53.204 53.050 -0.127 0.000 0.896 1168 N CB -0.359 38.079 38.487 -0.082 0.000 1.097 1168 N HN 0.653 nan 8.380 nan 0.000 0.507 1169 G N 2.029 110.744 108.800 -0.142 0.000 2.717 1169 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.224 1169 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.224 1169 G C 1.451 176.213 174.900 -0.231 0.000 1.088 1169 G CA 0.838 45.837 45.100 -0.169 0.000 0.734 1169 G HN 0.413 nan 8.290 nan 0.000 0.616 1170 R N 0.164 120.526 120.500 -0.231 0.000 2.437 1170 R HA 0.204 4.544 4.340 -0.000 0.000 0.257 1170 R C -0.398 175.712 176.300 -0.317 0.000 0.927 1170 R CA -0.216 55.714 56.100 -0.283 0.000 1.078 1170 R CB 0.440 30.595 30.300 -0.242 0.000 1.161 1170 R HN 0.273 nan 8.270 nan 0.000 0.529 1182 G N -1.193 107.630 108.800 0.038 0.000 2.682 1182 G HA2 0.995 4.955 3.960 -0.000 0.000 0.290 1182 G HA3 0.995 4.955 3.960 -0.000 0.000 0.290 1182 G C -0.654 174.274 174.900 0.047 0.000 1.425 1182 G CA 0.456 45.600 45.100 0.072 0.000 0.807 1182 G HN 2.033 nan 8.290 nan 0.000 0.482 1183 S N -0.949 114.808 115.700 0.095 0.000 2.537 1183 S HA 0.696 5.166 4.470 -0.000 0.000 0.271 1183 S C -1.007 173.685 174.600 0.154 0.000 1.148 1183 S CA -0.787 57.451 58.200 0.063 0.000 0.868 1183 S CB 1.900 65.078 63.200 -0.037 0.000 1.115 1183 S HN 1.870 nan 8.310 nan 0.000 0.461 1184 I N -0.369 120.279 120.570 0.131 0.000 2.689 1184 I HA 0.949 5.119 4.170 -0.000 0.000 0.299 1184 I C -0.685 175.528 176.117 0.161 0.000 1.059 1184 I CA -0.694 60.716 61.300 0.184 0.000 1.055 1184 I CB 1.017 39.091 38.000 0.123 0.000 1.243 1184 I HN 1.107 nan 8.210 nan 0.000 0.425 1185 T N 2.273 116.959 114.554 0.221 0.000 2.982 1185 T HA 0.583 4.933 4.350 -0.000 0.000 0.321 1185 T C -1.630 173.302 174.700 0.386 0.000 1.229 1185 T CA -0.503 61.769 62.100 0.287 0.000 1.044 1185 T CB 1.592 70.626 68.868 0.277 0.000 1.184 1185 T HN 0.790 nan 8.240 nan 0.000 0.477 1186 Y N 1.077 121.540 120.300 0.272 0.000 2.468 1186 Y HA 0.629 5.179 4.550 -0.000 0.000 0.342 1186 Y C 0.164 176.236 175.900 0.287 0.000 1.021 1186 Y CA -1.015 57.238 58.100 0.256 0.000 1.079 1186 Y CB 2.450 41.036 38.460 0.209 0.000 1.226 1186 Y HN 0.835 nan 8.280 nan 0.000 0.460 1187 D N 1.653 121.422 120.400 -1.053 0.000 2.652 1187 D HA -0.019 4.621 4.640 -0.000 0.000 0.261 1187 D C -0.641 175.409 176.300 -0.416 0.000 1.024 1187 D CA 1.215 54.843 54.000 -0.621 0.000 0.958 1187 D CB -0.174 40.459 40.800 -0.278 0.000 1.113 1187 D HN 0.466 nan 8.370 nan 0.000 0.471 1188 Y N 1.899 121.933 120.300 -0.444 0.000 2.928 1188 Y HA -0.235 4.315 4.550 -0.000 0.000 0.205 1188 Y C -0.645 175.273 175.900 0.030 0.000 1.437 1188 Y CA -0.722 57.325 58.100 -0.089 0.000 0.980 1188 Y CB -2.460 36.002 38.460 0.002 0.000 1.500 1188 Y HN -0.010 nan 8.280 nan 0.000 0.328 1189 E N 1.858 122.029 120.200 -0.048 0.000 0.706 1189 E HA -0.012 4.338 4.350 -0.000 0.000 0.354 1189 E C 1.136 177.653 176.600 -0.139 0.000 0.731 1189 E CA 2.226 58.575 56.400 -0.085 0.000 1.332 1189 E CB -0.979 28.712 29.700 -0.016 0.000 0.404 1189 E HN 1.831 nan 8.360 nan 0.000 0.359 1190 G N 2.011 110.588 108.800 -0.372 0.000 2.870 1190 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.685 1190 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.685 1190 G C -0.309 174.233 174.900 -0.597 0.000 1.556 1190 G CA -0.180 44.489 45.100 -0.718 0.000 1.042 1190 G HN 0.800 nan 8.290 nan 0.000 0.592 1191 F N -2.649 116.984 119.950 -0.529 0.000 2.160 1191 F HA 0.206 4.733 4.527 -0.000 0.000 0.526 1191 F C 0.816 176.259 175.800 -0.594 0.000 1.295 1191 F CA 0.740 58.429 58.000 -0.518 0.000 1.687 1191 F CB -1.004 37.500 39.000 -0.827 0.000 2.704 1191 F HN 1.616 nan 8.300 nan 0.000 0.722 1192 G N 3.842 112.469 108.800 -0.287 0.000 2.643 1192 G HA2 0.771 4.731 3.960 -0.000 0.000 0.305 1192 G HA3 0.771 4.731 3.960 -0.000 0.000 0.305 1192 G C -1.123 173.822 174.900 0.075 0.000 1.387 1192 G CA -0.879 44.080 45.100 -0.236 0.000 0.982 1192 G HN 0.450 nan 8.290 nan 0.000 0.501 1193 I N 0.620 121.367 120.570 0.294 0.000 2.676 1193 I HA 0.839 5.009 4.170 -0.000 0.000 0.309 1193 I C 0.642 177.044 176.117 0.474 0.000 0.990 1193 I CA -1.343 60.175 61.300 0.364 0.000 1.168 1193 I CB 1.341 39.539 38.000 0.330 0.000 1.343 1193 I HN 0.668 nan 8.210 nan 0.000 0.482 1194 G N 1.562 110.607 108.800 0.408 0.000 2.728 1194 G HA2 0.590 4.550 3.960 -0.000 0.000 0.294 1194 G HA3 0.590 4.550 3.960 -0.000 0.000 0.294 1194 G C -0.891 174.100 174.900 0.152 0.000 1.398 1194 G CA -0.527 44.737 45.100 0.272 0.000 1.183 1194 G HN 0.911 nan 8.290 nan 0.000 0.578 1195 G N -0.502 108.359 108.800 0.102 0.000 2.441 1195 G HA2 0.943 4.903 3.960 -0.000 0.000 0.334 1195 G HA3 0.943 4.903 3.960 -0.000 0.000 0.334 1195 G C -0.435 174.472 174.900 0.011 0.000 1.161 1195 G CA -0.066 45.077 45.100 0.071 0.000 0.935 1195 G HN 1.671 nan 8.290 nan 0.000 0.488 1196 A N 0.523 123.339 122.820 -0.007 0.000 2.488 1196 A HA 0.682 5.002 4.320 -0.000 0.000 0.295 1196 A C -1.356 176.199 177.584 -0.049 0.000 1.045 1196 A CA -0.462 51.550 52.037 -0.042 0.000 0.703 1196 A CB 1.266 20.203 19.000 -0.104 0.000 1.271 1196 A HN 0.598 nan 8.150 nan 0.000 0.400 1197 I N 1.542 122.078 120.570 -0.057 0.000 2.474 1197 I HA 0.738 4.908 4.170 -0.000 0.000 0.294 1197 I C 0.427 176.445 176.117 -0.166 0.000 1.005 1197 I CA -0.359 60.850 61.300 -0.152 0.000 1.113 1197 I CB 2.121 40.071 38.000 -0.083 0.000 1.289 1197 I HN 0.724 nan 8.210 nan 0.000 0.436 1198 S N 2.513 118.054 115.700 -0.265 0.000 2.579 1198 S HA 0.885 5.355 4.470 -0.000 0.000 0.272 1198 S C -0.871 173.628 174.600 -0.168 0.000 1.141 1198 S CA -0.744 57.365 58.200 -0.152 0.000 0.843 1198 S CB 1.907 65.046 63.200 -0.102 0.000 1.122 1198 S HN 0.612 nan 8.310 nan 0.000 0.468 1199 S N 0.584 116.232 115.700 -0.086 0.000 2.614 1199 S HA 0.732 5.202 4.470 -0.000 0.000 0.275 1199 S C -1.527 173.031 174.600 -0.071 0.000 1.161 1199 S CA -0.463 57.681 58.200 -0.095 0.000 0.969 1199 S CB 1.228 64.394 63.200 -0.056 0.000 1.059 1199 S HN 0.841 nan 8.310 nan 0.000 0.482 1200 S N 3.356 118.978 115.700 -0.130 0.000 2.561 1200 S HA 0.447 4.917 4.470 -0.000 0.000 0.303 1200 S C -0.637 173.930 174.600 -0.056 0.000 1.110 1200 S CA -0.851 57.315 58.200 -0.056 0.000 1.034 1200 S CB 1.613 64.850 63.200 0.063 0.000 1.010 1200 S HN 0.738 nan 8.310 nan 0.000 0.482 1201 K N 2.546 122.948 120.400 0.003 0.000 2.469 1201 K HA 0.072 4.392 4.320 -0.000 0.000 0.274 1201 K C -0.133 176.501 176.600 0.058 0.000 0.983 1201 K CA 0.248 56.546 56.287 0.018 0.000 0.974 1201 K CB 0.359 32.879 32.500 0.034 0.000 0.913 1201 K HN 0.608 nan 8.250 nan 0.000 0.493 1202 R N 1.911 122.449 120.500 0.062 0.000 2.445 1202 R HA 0.300 4.640 4.340 -0.000 0.000 0.308 1202 R C -0.446 175.926 176.300 0.120 0.000 0.961 1202 R CA -0.896 55.297 56.100 0.154 0.000 0.862 1202 R CB 0.944 31.346 30.300 0.170 0.000 1.144 1202 R HN 0.745 nan 8.270 nan 0.000 0.447 1203 T N -1.059 113.567 114.554 0.121 0.000 2.903 1203 T HA -0.009 4.341 4.350 -0.000 0.000 0.314 1203 T C 0.487 175.225 174.700 0.064 0.000 1.078 1203 T CA -0.443 61.701 62.100 0.073 0.000 1.114 1203 T CB 0.591 69.488 68.868 0.048 0.000 0.987 1203 T HN 0.484 nan 8.240 nan 0.000 0.548 1204 D N 1.631 122.062 120.400 0.052 0.000 2.221 1204 D HA -0.046 4.594 4.640 -0.000 0.000 0.204 1204 D C 2.246 178.574 176.300 0.046 0.000 0.982 1204 D CA 1.521 55.550 54.000 0.048 0.000 0.857 1204 D CB -0.657 40.169 40.800 0.042 0.000 0.934 1204 D HN 0.770 nan 8.370 nan 0.000 0.475 1205 A N 1.211 124.055 122.820 0.039 0.000 1.877 1205 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 1205 A C 1.989 179.597 177.584 0.039 0.000 1.186 1205 A CA 1.596 53.651 52.037 0.031 0.000 0.620 1205 A CB -0.693 18.314 19.000 0.011 0.000 0.822 1205 A HN 0.397 nan 8.150 nan 0.000 0.443 1206 Q N -0.717 119.113 119.800 0.050 0.000 2.515 1206 Q HA 0.016 4.356 4.340 -0.000 0.000 0.212 1206 Q C -0.339 175.710 176.000 0.081 0.000 0.970 1206 Q CA 0.545 56.388 55.803 0.068 0.000 0.941 1206 Q CB -0.279 28.521 28.738 0.103 0.000 0.998 1206 Q HN 0.422 nan 8.270 nan 0.000 0.518 1207 N N 1.661 120.404 118.700 0.072 0.000 3.012 1207 N HA 0.077 4.817 4.740 -0.000 0.000 0.270 1207 N C -0.891 174.657 175.510 0.063 0.000 1.469 1207 N CA 0.180 53.272 53.050 0.071 0.000 0.928 1207 N CB 1.404 39.930 38.487 0.065 0.000 1.219 1207 N HN 0.293 nan 8.380 nan 0.000 0.492 1208 T N -2.572 112.024 114.554 0.070 0.000 4.003 1208 T HA 0.364 4.714 4.350 -0.000 0.000 0.239 1208 T C 0.616 175.358 174.700 0.070 0.000 0.992 1208 T CA 0.157 62.295 62.100 0.062 0.000 1.317 1208 T CB -0.199 68.702 68.868 0.055 0.000 0.940 1208 T HN 0.206 nan 8.240 nan 0.000 0.593 1209 A N -0.066 122.799 122.820 0.076 0.000 2.822 1209 A HA 0.058 4.378 4.320 -0.000 0.000 0.279 1209 A C 1.044 178.680 177.584 0.087 0.000 1.356 1209 A CA 1.336 53.417 52.037 0.074 0.000 0.961 1209 A CB -2.183 16.846 19.000 0.049 0.000 0.977 1209 A HN 2.041 nan 8.150 nan 0.000 0.650 1210 A N -1.117 121.777 122.820 0.122 0.000 2.282 1210 A HA 0.652 4.972 4.320 -0.000 0.000 0.319 1210 A C 1.119 178.891 177.584 0.314 0.000 1.121 1210 A CA 0.036 52.192 52.037 0.198 0.000 0.836 1210 A CB 0.132 19.254 19.000 0.203 0.000 1.146 1210 A HN 1.311 nan 8.150 nan 0.000 0.494 1211 Y N 0.254 120.584 120.300 0.051 0.000 2.182 1211 Y HA -0.286 4.264 4.550 -0.000 0.000 0.253 1211 Y C 0.689 176.651 175.900 0.102 0.000 1.302 1211 Y CA 1.643 59.791 58.100 0.080 0.000 1.057 1211 Y CB -2.144 36.372 38.460 0.093 0.000 0.863 1211 Y HN 0.726 nan 8.280 nan 0.000 0.517 1212 I N -4.319 116.371 120.570 0.200 0.000 2.743 1212 I HA 0.644 4.814 4.170 -0.000 0.000 0.284 1212 I C -0.311 175.883 176.117 0.129 0.000 1.596 1212 I CA -0.595 60.807 61.300 0.170 0.000 1.066 1212 I CB 1.823 39.949 38.000 0.210 0.000 1.473 1212 I HN 0.442 nan 8.210 nan 0.000 0.428 1213 G N 2.154 111.025 108.800 0.118 0.000 2.952 1213 G HA2 -0.065 3.894 3.960 -0.000 0.000 0.431 1213 G HA3 -0.065 3.894 3.960 -0.000 0.000 0.431 1213 G C -0.922 174.030 174.900 0.087 0.000 1.325 1213 G CA -0.419 44.741 45.100 0.101 0.000 1.146 1213 G HN 1.019 nan 8.290 nan 0.000 0.581 1214 N N 1.265 120.012 118.700 0.079 0.000 2.744 1214 N HA 0.414 5.154 4.740 -0.000 0.000 0.290 1214 N C 1.168 176.715 175.510 0.061 0.000 1.206 1214 N CA 0.592 53.681 53.050 0.065 0.000 1.119 1214 N CB 0.214 38.734 38.487 0.057 0.000 1.449 1214 N HN 1.565 nan 8.380 nan 0.000 0.514 1215 G N 1.800 110.639 108.800 0.064 0.000 2.588 1215 G HA2 0.058 4.018 3.960 -0.000 0.000 0.297 1215 G HA3 0.058 4.018 3.960 -0.000 0.000 0.297 1215 G C 0.537 175.460 174.900 0.038 0.000 0.874 1215 G CA -0.425 44.708 45.100 0.055 0.000 1.607 1215 G HN 0.603 nan 8.290 nan 0.000 0.486 1216 D N 2.416 122.829 120.400 0.023 0.000 2.196 1216 D HA 0.078 4.718 4.640 -0.000 0.000 0.228 1216 D C 1.438 177.730 176.300 -0.012 0.000 1.028 1216 D CA 0.641 54.648 54.000 0.012 0.000 0.924 1216 D CB 0.418 41.226 40.800 0.012 0.000 1.025 1216 D HN 0.364 nan 8.370 nan 0.000 0.438 1217 R N -0.747 119.731 120.500 -0.036 0.000 2.700 1217 R HA 0.771 5.111 4.340 -0.000 0.000 0.253 1217 R C -0.640 175.553 176.300 -0.178 0.000 1.091 1217 R CA -0.768 55.282 56.100 -0.084 0.000 1.104 1217 R CB 1.609 31.873 30.300 -0.061 0.000 1.202 1217 R HN 0.126 nan 8.270 nan 0.000 0.532 1218 A N 0.864 123.472 122.820 -0.353 0.000 2.318 1218 A HA 0.416 4.736 4.320 -0.000 0.000 0.317 1218 A C -1.029 176.378 177.584 -0.295 0.000 1.159 1218 A CA -0.602 51.144 52.037 -0.486 0.000 0.799 1218 A CB 0.804 19.078 19.000 -1.209 0.000 1.194 1218 A HN 0.657 nan 8.150 nan 0.000 0.479 1219 E N 1.141 121.289 120.200 -0.087 0.000 2.222 1219 E HA 0.582 4.932 4.350 -0.000 0.000 0.267 1219 E C -0.781 175.824 176.600 0.007 0.000 0.884 1219 E CA -0.662 55.719 56.400 -0.031 0.000 0.764 1219 E CB 2.357 32.154 29.700 0.162 0.000 1.169 1219 E HN 0.730 nan 8.360 nan 0.000 0.413 1220 T N -0.472 113.963 114.554 -0.198 0.000 2.893 1220 T HA 0.615 4.965 4.350 -0.000 0.000 0.293 1220 T C -1.120 173.386 174.700 -0.324 0.000 1.027 1220 T CA -0.684 61.337 62.100 -0.133 0.000 0.988 1220 T CB 0.783 69.582 68.868 -0.115 0.000 1.043 1220 T HN 0.345 nan 8.240 nan 0.000 0.461 1221 Y N 0.396 120.703 120.300 0.012 0.000 2.361 1221 Y HA 0.641 5.191 4.550 -0.000 0.000 0.328 1221 Y C 0.140 176.040 175.900 0.000 0.000 1.044 1221 Y CA -0.693 57.431 58.100 0.040 0.000 1.085 1221 Y CB 2.754 41.277 38.460 0.106 0.000 1.194 1221 Y HN 0.949 nan 8.280 nan 0.000 0.438 1222 T N 2.460 117.081 114.554 0.111 0.000 3.143 1222 T HA 0.691 5.041 4.350 -0.000 0.000 0.312 1222 T C -0.559 174.190 174.700 0.082 0.000 0.986 1222 T CA -0.430 61.701 62.100 0.051 0.000 1.024 1222 T CB 0.467 69.306 68.868 -0.048 0.000 1.030 1222 T HN 0.894 nan 8.240 nan 0.000 0.448 1223 G N 1.741 110.630 108.800 0.148 0.000 2.432 1223 G HA2 0.804 4.764 3.960 -0.000 0.000 0.331 1223 G HA3 0.804 4.764 3.960 -0.000 0.000 0.331 1223 G C -0.259 174.760 174.900 0.198 0.000 1.170 1223 G CA -0.523 44.683 45.100 0.177 0.000 0.943 1223 G HN 1.009 nan 8.290 nan 0.000 0.483 1224 G N -0.905 108.038 108.800 0.238 0.000 2.677 1224 G HA2 0.598 4.558 3.960 -0.000 0.000 0.291 1224 G HA3 0.598 4.558 3.960 -0.000 0.000 0.291 1224 G C -2.208 172.943 174.900 0.418 0.000 1.435 1224 G CA -0.574 44.723 45.100 0.328 0.000 0.826 1224 G HN 0.659 nan 8.290 nan 0.000 0.491 1225 L N 0.394 121.807 121.223 0.317 0.000 2.422 1225 L HA 0.863 5.203 4.340 -0.000 0.000 0.264 1225 L C -0.221 176.602 176.870 -0.079 0.000 0.984 1225 L CA -0.724 54.196 54.840 0.134 0.000 0.819 1225 L CB 2.287 44.431 42.059 0.142 0.000 1.330 1225 L HN 0.955 nan 8.230 nan 0.000 0.410 1226 K N 1.946 122.178 120.400 -0.281 0.000 2.607 1226 K HA 0.603 4.923 4.320 -0.000 0.000 0.287 1226 K C -2.249 174.042 176.600 -0.516 0.000 0.996 1226 K CA -0.860 55.127 56.287 -0.500 0.000 0.876 1226 K CB 1.960 33.925 32.500 -0.891 0.000 1.496 1226 K HN 0.341 nan 8.250 nan 0.000 0.415 1227 Y N 1.496 121.326 120.300 -0.784 0.000 2.323 1227 Y HA 0.437 4.987 4.550 -0.000 0.000 0.322 1227 Y C -2.356 173.045 175.900 -0.833 0.000 1.133 1227 Y CA -0.723 56.867 58.100 -0.849 0.000 1.093 1227 Y CB 2.013 40.028 38.460 -0.741 0.000 1.203 1227 Y HN 0.863 nan 8.280 nan 0.000 0.427 1228 D N 5.069 124.452 120.400 -1.695 0.000 2.613 1228 D HA 0.725 5.365 4.640 -0.000 0.000 0.230 1228 D C -1.729 174.037 176.300 -0.891 0.000 1.365 1228 D CA 0.455 53.770 54.000 -1.142 0.000 0.976 1228 D CB 1.097 41.438 40.800 -0.764 0.000 1.415 1228 D HN 1.004 nan 8.370 nan 0.000 0.589 1229 A N 3.405 125.794 122.820 -0.718 0.000 2.588 1229 A HA 0.495 4.815 4.320 -0.000 0.000 0.305 1229 A C -0.761 176.643 177.584 -0.301 0.000 0.991 1229 A CA -0.525 51.227 52.037 -0.475 0.000 0.784 1229 A CB -0.156 18.528 19.000 -0.526 0.000 1.189 1229 A HN 0.737 nan 8.150 nan 0.000 0.390 1230 N N 3.084 121.659 118.700 -0.208 0.000 2.629 1230 N HA -0.232 4.508 4.740 -0.000 0.000 0.278 1230 N C 0.545 175.911 175.510 -0.240 0.000 1.102 1230 N CA 0.836 53.794 53.050 -0.154 0.000 0.759 1230 N CB -0.990 37.468 38.487 -0.048 0.000 0.911 1230 N HN 0.920 nan 8.380 nan 0.000 0.553 1231 N N -2.420 116.055 118.700 -0.374 0.000 2.853 1231 N HA -0.248 4.492 4.740 -0.000 0.000 0.239 1231 N C -0.405 174.642 175.510 -0.773 0.000 0.967 1231 N CA 1.524 54.142 53.050 -0.721 0.000 0.973 1231 N CB -0.678 37.130 38.487 -1.132 0.000 1.104 1231 N HN 0.624 nan 8.380 nan 0.000 0.602 1232 I N 0.752 121.121 120.570 -0.336 0.000 2.359 1232 I HA 0.224 4.394 4.170 -0.000 0.000 0.294 1232 I C -0.363 175.697 176.117 -0.096 0.000 0.987 1232 I CA -0.724 60.520 61.300 -0.092 0.000 1.225 1232 I CB 1.135 39.209 38.000 0.125 0.000 1.366 1232 I HN -0.019 nan 8.210 nan 0.000 0.466 1233 Y N 7.556 127.770 120.300 -0.143 0.000 2.326 1233 Y HA 0.538 5.088 4.550 -0.000 0.000 0.331 1233 Y C -1.491 174.373 175.900 -0.060 0.000 0.962 1233 Y CA -0.809 57.199 58.100 -0.153 0.000 1.167 1233 Y CB 0.932 39.289 38.460 -0.171 0.000 1.148 1233 Y HN 0.332 nan 8.280 nan 0.000 0.463 1234 L N 5.405 126.373 121.223 -0.426 0.000 2.365 1234 L HA 0.933 5.273 4.340 -0.000 0.000 0.273 1234 L C -0.835 175.781 176.870 -0.424 0.000 1.000 1234 L CA -0.918 53.786 54.840 -0.226 0.000 0.819 1234 L CB 1.482 43.498 42.059 -0.073 0.000 1.284 1234 L HN 0.776 nan 8.230 nan 0.000 0.418 1235 A N 2.305 125.050 122.820 -0.124 0.000 2.599 1235 A HA 0.980 5.300 4.320 -0.000 0.000 0.294 1235 A C -1.718 175.889 177.584 0.039 0.000 1.055 1235 A CA 0.022 52.015 52.037 -0.072 0.000 0.683 1235 A CB 1.560 20.554 19.000 -0.009 0.000 1.278 1235 A HN 1.062 nan 8.150 nan 0.000 0.412 1236 A N 0.644 123.503 122.820 0.065 0.000 2.572 1236 A HA 0.858 5.178 4.320 -0.000 0.000 0.295 1236 A C -1.283 176.371 177.584 0.115 0.000 1.072 1236 A CA -0.445 51.618 52.037 0.044 0.000 0.691 1236 A CB 1.950 21.017 19.000 0.112 0.000 1.291 1236 A HN 1.164 nan 8.150 nan 0.000 0.404 1237 Q N 0.859 120.677 119.800 0.029 0.000 2.289 1237 Q HA 0.528 4.868 4.340 -0.000 0.000 0.270 1237 Q C -2.531 173.550 176.000 0.134 0.000 1.038 1237 Q CA -0.421 55.439 55.803 0.095 0.000 0.812 1237 Q CB 2.040 30.799 28.738 0.036 0.000 1.300 1237 Q HN 0.897 nan 8.270 nan 0.000 0.427 1238 Y N 1.850 122.223 120.300 0.122 0.000 2.457 1238 Y HA 0.629 5.179 4.550 -0.000 0.000 0.343 1238 Y C -1.483 174.503 175.900 0.144 0.000 0.994 1238 Y CA -0.265 57.952 58.100 0.196 0.000 1.031 1238 Y CB 2.226 40.885 38.460 0.330 0.000 1.246 1238 Y HN 0.602 nan 8.280 nan 0.000 0.449 1239 T N 5.590 119.629 114.554 -0.860 0.000 3.291 1239 T HA 0.411 4.761 4.350 -0.000 0.000 0.344 1239 T C -2.122 172.221 174.700 -0.595 0.000 1.293 1239 T CA -0.767 61.011 62.100 -0.536 0.000 1.108 1239 T CB 1.073 69.824 68.868 -0.194 0.000 1.231 1239 T HN 0.788 nan 8.240 nan 0.000 0.474 1240 Q N 2.454 122.048 119.800 -0.344 0.000 2.337 1240 Q HA 0.716 5.056 4.340 -0.000 0.000 0.266 1240 Q C -0.423 175.524 176.000 -0.089 0.000 1.023 1240 Q CA -1.120 54.554 55.803 -0.215 0.000 0.829 1240 Q CB 1.955 30.599 28.738 -0.157 0.000 1.306 1240 Q HN 0.758 nan 8.270 nan 0.000 0.449 1241 T N -1.020 113.406 114.554 -0.213 0.000 2.940 1241 T HA 0.614 4.964 4.350 -0.000 0.000 0.288 1241 T C -0.971 173.462 174.700 -0.446 0.000 1.033 1241 T CA -0.579 61.431 62.100 -0.149 0.000 1.033 1241 T CB 0.738 69.550 68.868 -0.093 0.000 1.079 1241 T HN 0.500 nan 8.240 nan 0.000 0.496 1242 Y N 1.030 121.362 120.300 0.054 0.000 2.338 1242 Y HA 0.416 4.966 4.550 -0.000 0.000 0.333 1242 Y C 0.572 176.449 175.900 -0.038 0.000 0.968 1242 Y CA -1.035 57.084 58.100 0.031 0.000 1.123 1242 Y CB 1.318 39.816 38.460 0.064 0.000 1.165 1242 Y HN 0.800 nan 8.280 nan 0.000 0.452 1243 N N 1.307 120.059 118.700 0.086 0.000 2.741 1243 N HA -0.215 4.525 4.740 -0.000 0.000 0.250 1243 N C 0.166 175.648 175.510 -0.047 0.000 1.115 1243 N CA 1.083 54.148 53.050 0.025 0.000 0.724 1243 N CB -1.173 37.322 38.487 0.014 0.000 1.090 1243 N HN 0.788 nan 8.380 nan 0.000 0.558 1244 A N -1.904 120.912 122.820 -0.007 0.000 2.701 1244 A HA 0.251 4.571 4.320 -0.000 0.000 0.241 1244 A C 0.388 178.077 177.584 0.175 0.000 1.231 1244 A CA 0.160 52.230 52.037 0.055 0.000 1.003 1244 A CB 0.573 19.500 19.000 -0.123 0.000 1.281 1244 A HN 0.090 nan 8.150 nan 0.000 0.600 1245 T N 2.127 116.743 114.554 0.103 0.000 2.832 1245 T HA 0.296 4.646 4.350 -0.000 0.000 0.313 1245 T C 0.229 174.975 174.700 0.076 0.000 1.035 1245 T CA -0.352 61.804 62.100 0.093 0.000 0.950 1245 T CB 0.272 69.173 68.868 0.054 0.000 0.984 1245 T HN 0.380 nan 8.240 nan 0.000 0.486 1246 R N 1.911 122.451 120.500 0.067 0.000 2.538 1246 R HA 0.192 4.532 4.340 -0.000 0.000 0.273 1246 R C 0.112 176.400 176.300 -0.021 0.000 0.967 1246 R CA 0.231 56.334 56.100 0.004 0.000 1.101 1246 R CB -0.069 30.208 30.300 -0.038 0.000 0.908 1246 R HN 0.594 nan 8.270 nan 0.000 0.411 1247 V N 2.002 121.883 119.914 -0.055 0.000 2.383 1247 V HA 0.465 4.585 4.120 -0.000 0.000 0.264 1247 V C 0.823 176.807 176.094 -0.182 0.000 1.001 1247 V CA 0.373 62.626 62.300 -0.079 0.000 0.828 1247 V CB 0.831 32.653 31.823 -0.002 0.000 1.069 1247 V HN 0.983 nan 8.190 nan 0.000 0.451 1248 G N 3.273 111.960 108.800 -0.189 0.000 2.536 1248 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.280 1248 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.280 1248 G C 0.983 175.750 174.900 -0.222 0.000 1.152 1248 G CA 0.910 45.877 45.100 -0.221 0.000 0.970 1248 G HN 2.220 nan 8.290 nan 0.000 0.549 1249 S N -0.265 115.259 115.700 -0.294 0.000 2.741 1249 S HA 0.573 5.043 4.470 -0.000 0.000 0.247 1249 S C 1.472 175.652 174.600 -0.700 0.000 1.050 1249 S CA 0.628 58.597 58.200 -0.384 0.000 1.025 1249 S CB 0.305 63.306 63.200 -0.332 0.000 0.897 1249 S HN 0.703 nan 8.310 nan 0.000 0.508 1250 L N 1.661 122.569 121.223 -0.525 0.000 2.591 1250 L HA 0.395 4.735 4.340 -0.000 0.000 0.228 1250 L C 1.568 178.251 176.870 -0.311 0.000 1.133 1250 L CA 0.591 55.090 54.840 -0.569 0.000 0.880 1250 L CB -0.519 41.455 42.059 -0.140 0.000 1.033 1250 L HN 0.751 nan 8.230 nan 0.000 0.450 1251 G N -0.880 107.769 108.800 -0.253 0.000 2.508 1251 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 1251 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 1251 G C -1.012 173.881 174.900 -0.011 0.000 1.287 1251 G CA -0.373 44.676 45.100 -0.084 0.000 0.916 1251 G HN 0.097 nan 8.290 nan 0.000 0.574 1252 W N -0.181 121.154 121.300 0.059 0.000 2.630 1252 W HA 0.776 5.436 4.660 -0.000 0.000 0.365 1252 W C 0.448 177.019 176.519 0.087 0.000 1.270 1252 W CA -0.148 57.247 57.345 0.084 0.000 1.291 1252 W CB 1.333 30.881 29.460 0.146 0.000 1.440 1252 W HN 1.183 nan 8.180 nan 0.000 0.652 1253 A N 1.035 123.903 122.820 0.079 0.000 2.273 1253 A HA 0.330 4.650 4.320 -0.000 0.000 0.320 1253 A C 0.433 178.053 177.584 0.059 0.000 1.358 1253 A CA -0.533 51.548 52.037 0.074 0.000 0.910 1253 A CB -0.099 18.935 19.000 0.057 0.000 1.159 1253 A HN 0.825 nan 8.150 nan 0.000 0.526 1254 N N 1.305 120.051 118.700 0.077 0.000 2.037 1254 N HA -0.188 4.552 4.740 -0.000 0.000 0.196 1254 N C 0.848 176.394 175.510 0.060 0.000 1.034 1254 N CA 1.937 55.038 53.050 0.084 0.000 0.861 1254 N CB -0.005 38.542 38.487 0.101 0.000 1.039 1254 N HN 0.719 nan 8.380 nan 0.000 0.427 1255 K N -0.254 120.142 120.400 -0.007 0.000 2.328 1255 K HA 0.721 5.041 4.320 -0.000 0.000 0.246 1255 K C -1.867 174.654 176.600 -0.132 0.000 0.955 1255 K CA -0.823 55.359 56.287 -0.174 0.000 0.817 1255 K CB 1.867 34.312 32.500 -0.091 0.000 1.208 1255 K HN 0.068 nan 8.250 nan 0.000 0.432 1256 A N 2.689 125.392 122.820 -0.196 0.000 2.566 1256 A HA 0.370 4.690 4.320 -0.000 0.000 0.297 1256 A C -1.811 175.714 177.584 -0.097 0.000 1.059 1256 A CA -0.739 51.245 52.037 -0.089 0.000 0.691 1256 A CB 1.807 20.780 19.000 -0.044 0.000 1.282 1256 A HN 0.683 nan 8.150 nan 0.000 0.401 1257 Q N 1.524 121.320 119.800 -0.007 0.000 2.333 1257 Q HA 0.440 4.780 4.340 -0.000 0.000 0.265 1257 Q C -1.105 174.938 176.000 0.072 0.000 0.989 1257 Q CA -0.769 55.059 55.803 0.043 0.000 0.842 1257 Q CB 1.865 30.738 28.738 0.225 0.000 1.262 1257 Q HN 0.720 nan 8.270 nan 0.000 0.451 1258 N N 2.563 121.233 118.700 -0.050 0.000 2.342 1258 N HA 0.486 5.226 4.740 -0.000 0.000 0.293 1258 N C -1.513 174.090 175.510 0.155 0.000 1.026 1258 N CA -0.327 52.751 53.050 0.046 0.000 0.857 1258 N CB 1.820 40.310 38.487 0.005 0.000 1.256 1258 N HN 0.415 nan 8.380 nan 0.000 0.484 1259 F N 0.736 120.778 119.950 0.154 0.000 2.565 1259 F HA 0.432 4.959 4.527 -0.000 0.000 0.313 1259 F C -0.964 174.908 175.800 0.121 0.000 1.091 1259 F CA -0.649 57.506 58.000 0.259 0.000 0.915 1259 F CB 1.709 40.907 39.000 0.330 0.000 1.208 1259 F HN 0.368 nan 8.300 nan 0.000 0.453 1260 E N 4.367 123.970 120.200 -0.996 0.000 2.367 1260 E HA 0.587 4.937 4.350 -0.000 0.000 0.292 1260 E C -1.699 174.577 176.600 -0.539 0.000 0.900 1260 E CA -0.700 55.342 56.400 -0.598 0.000 0.807 1260 E CB 1.655 31.205 29.700 -0.251 0.000 1.337 1260 E HN 0.716 nan 8.360 nan 0.000 0.394 1261 A N 2.384 125.013 122.820 -0.317 0.000 2.371 1261 A HA 0.758 5.078 4.320 -0.000 0.000 0.311 1261 A C -1.038 176.576 177.584 0.050 0.000 1.068 1261 A CA -0.576 51.414 52.037 -0.079 0.000 0.744 1261 A CB 1.671 20.717 19.000 0.076 0.000 1.239 1261 A HN 0.322 nan 8.150 nan 0.000 0.435 1262 V N 0.968 120.935 119.914 0.088 0.000 2.769 1262 V HA 0.841 4.961 4.120 -0.000 0.000 0.312 1262 V C -0.037 176.150 176.094 0.155 0.000 1.061 1262 V CA 0.070 62.446 62.300 0.128 0.000 0.931 1262 V CB 1.941 33.854 31.823 0.150 0.000 1.010 1262 V HN 1.511 nan 8.190 nan 0.000 0.433 1263 A N 4.921 127.828 122.820 0.146 0.000 2.381 1263 A HA 0.892 5.212 4.320 -0.000 0.000 0.299 1263 A C -0.977 176.698 177.584 0.151 0.000 1.049 1263 A CA -0.560 51.566 52.037 0.148 0.000 0.715 1263 A CB 1.561 20.628 19.000 0.113 0.000 1.222 1263 A HN 0.787 nan 8.150 nan 0.000 0.428 1264 Q N 0.240 120.144 119.800 0.172 0.000 2.501 1264 Q HA 0.608 4.948 4.340 -0.000 0.000 0.288 1264 Q C -1.954 174.123 176.000 0.129 0.000 1.051 1264 Q CA -0.736 55.151 55.803 0.139 0.000 0.788 1264 Q CB 2.701 31.489 28.738 0.084 0.000 1.469 1264 Q HN 0.718 nan 8.270 nan 0.000 0.416 1265 Y N 0.831 121.093 120.300 -0.064 0.000 2.421 1265 Y HA 0.321 4.871 4.550 -0.000 0.000 0.339 1265 Y C -1.365 174.375 175.900 -0.267 0.000 0.996 1265 Y CA -0.710 57.270 58.100 -0.201 0.000 1.046 1265 Y CB 2.229 40.483 38.460 -0.342 0.000 1.226 1265 Y HN 0.610 nan 8.280 nan 0.000 0.445 1266 Q N 5.197 124.528 119.800 -0.780 0.000 2.360 1266 Q HA 0.396 4.736 4.340 -0.000 0.000 0.254 1266 Q C -2.006 173.752 176.000 -0.405 0.000 0.975 1266 Q CA -0.061 55.477 55.803 -0.441 0.000 0.912 1266 Q CB 0.237 28.737 28.738 -0.397 0.000 1.212 1266 Q HN 0.548 nan 8.270 nan 0.000 0.452 1267 F N 2.549 122.415 119.950 -0.141 0.000 2.375 1267 F HA 0.167 4.694 4.527 -0.000 0.000 0.333 1267 F C 1.417 177.081 175.800 -0.227 0.000 1.104 1267 F CA -0.144 57.769 58.000 -0.145 0.000 1.149 1267 F CB 1.061 39.751 39.000 -0.515 0.000 1.190 1267 F HN 0.712 nan 8.300 nan 0.000 0.533 1268 D N 2.349 122.862 120.400 0.190 0.000 2.133 1268 D HA -0.319 4.321 4.640 -0.000 0.000 0.192 1268 D C 1.805 178.198 176.300 0.155 0.000 1.001 1268 D CA 2.126 56.222 54.000 0.160 0.000 0.844 1268 D CB -0.835 40.125 40.800 0.267 0.000 0.944 1268 D HN 0.587 nan 8.370 nan 0.000 0.447 1269 F N -0.719 119.341 119.950 0.182 0.000 2.615 1269 F HA 0.463 4.990 4.527 -0.000 0.000 0.297 1269 F C 1.719 177.598 175.800 0.132 0.000 1.124 1269 F CA 0.363 58.448 58.000 0.140 0.000 1.451 1269 F CB 0.187 39.266 39.000 0.132 0.000 1.103 1269 F HN 0.188 nan 8.300 nan 0.000 0.569 1270 G N 0.453 109.058 108.800 -0.325 0.000 2.559 1270 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.202 1270 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.202 1270 G C -0.617 174.151 174.900 -0.219 0.000 0.992 1270 G CA -0.149 44.794 45.100 -0.263 0.000 0.764 1270 G HN 0.465 nan 8.290 nan 0.000 0.525 1271 L N 0.899 121.985 121.223 -0.229 0.000 2.334 1271 L HA 0.994 5.334 4.340 -0.000 0.000 0.272 1271 L C 0.065 177.017 176.870 0.136 0.000 1.020 1271 L CA -1.022 53.857 54.840 0.065 0.000 0.812 1271 L CB 1.556 43.680 42.059 0.107 0.000 1.264 1271 L HN 0.263 nan 8.230 nan 0.000 0.439 1272 R N 3.769 124.378 120.500 0.182 0.000 3.130 1272 R HA 0.434 4.774 4.340 -0.000 0.000 0.261 1272 R C -2.985 173.413 176.300 0.163 0.000 1.683 1272 R CA -1.090 55.113 56.100 0.172 0.000 1.095 1272 R CB 1.110 31.494 30.300 0.141 0.000 1.421 1272 R HN 0.436 nan 8.270 nan 0.000 0.454 1273 P HA 0.182 nan 4.420 nan 0.000 0.277 1273 P C -0.929 176.459 177.300 0.148 0.000 1.240 1273 P CA -0.212 62.998 63.100 0.184 0.000 0.798 1273 P CB 1.626 33.459 31.700 0.221 0.000 0.979 1274 S N 2.202 117.986 115.700 0.139 0.000 2.595 1274 S HA 0.773 5.243 4.470 -0.000 0.000 0.281 1274 S C -1.364 173.319 174.600 0.138 0.000 1.117 1274 S CA -0.745 57.531 58.200 0.125 0.000 0.873 1274 S CB 1.342 64.601 63.200 0.099 0.000 1.108 1274 S HN 0.477 nan 8.310 nan 0.000 0.477 1275 L N 1.615 122.918 121.223 0.133 0.000 2.455 1275 L HA 0.860 5.200 4.340 -0.000 0.000 0.264 1275 L C -1.447 175.504 176.870 0.134 0.000 0.968 1275 L CA -0.332 54.589 54.840 0.135 0.000 0.827 1275 L CB 1.397 43.529 42.059 0.122 0.000 1.317 1275 L HN 1.261 nan 8.230 nan 0.000 0.407 1276 A N 4.154 127.059 122.820 0.141 0.000 2.574 1276 A HA 0.638 4.958 4.320 -0.000 0.000 0.297 1276 A C -2.489 175.186 177.584 0.151 0.000 1.062 1276 A CA -0.446 51.668 52.037 0.128 0.000 0.686 1276 A CB 1.650 20.712 19.000 0.103 0.000 1.285 1276 A HN 0.761 nan 8.150 nan 0.000 0.403 1277 Y N 2.118 122.406 120.300 -0.019 0.000 2.524 1277 Y HA 0.793 5.342 4.550 -0.000 0.000 0.344 1277 Y C -1.213 174.585 175.900 -0.170 0.000 1.012 1277 Y CA -1.073 56.993 58.100 -0.056 0.000 1.068 1277 Y CB 1.425 39.930 38.460 0.075 0.000 1.249 1277 Y HN 0.620 nan 8.280 nan 0.000 0.468 1278 L N 5.354 125.916 121.223 -1.102 0.000 2.472 1278 L HA 0.486 4.826 4.340 -0.000 0.000 0.260 1278 L C -1.257 174.967 176.870 -1.077 0.000 0.963 1278 L CA -0.772 53.510 54.840 -0.929 0.000 0.829 1278 L CB 2.052 43.579 42.059 -0.888 0.000 1.348 1278 L HN 0.849 nan 8.230 nan 0.000 0.408 1279 Q N 0.986 120.507 119.800 -0.466 0.000 2.630 1279 Q HA 0.646 4.986 4.340 -0.000 0.000 0.295 1279 Q C -1.840 174.147 176.000 -0.021 0.000 0.944 1279 Q CA -0.658 55.003 55.803 -0.237 0.000 0.766 1279 Q CB 2.533 31.198 28.738 -0.122 0.000 1.471 1279 Q HN 0.485 nan 8.270 nan 0.000 0.416 1280 S N 0.804 116.509 115.700 0.008 0.000 2.776 1280 S HA 0.396 4.865 4.470 -0.000 0.000 0.284 1280 S C -1.599 173.035 174.600 0.057 0.000 1.160 1280 S CA -0.596 57.630 58.200 0.043 0.000 1.051 1280 S CB 0.964 64.180 63.200 0.026 0.000 1.037 1280 S HN 0.446 nan 8.310 nan 0.000 0.485 1281 K N 3.447 123.889 120.400 0.069 0.000 2.281 1281 K HA 0.434 4.754 4.320 -0.000 0.000 0.272 1281 K C 0.284 176.901 176.600 0.028 0.000 1.048 1281 K CA -0.474 55.846 56.287 0.054 0.000 0.898 1281 K CB 0.757 33.301 32.500 0.074 0.000 1.128 1281 K HN 0.797 nan 8.250 nan 0.000 0.460 1282 G N 4.368 113.175 108.800 0.011 0.000 2.358 1282 G HA2 0.155 4.115 3.960 -0.000 0.000 0.273 1282 G HA3 0.155 4.115 3.960 -0.000 0.000 0.273 1282 G C -0.196 174.697 174.900 -0.011 0.000 1.215 1282 G CA -0.283 44.820 45.100 0.004 0.000 0.910 1282 G HN 0.336 nan 8.290 nan 0.000 0.467 1283 K N 1.460 121.859 120.400 -0.002 0.000 2.123 1283 K HA 0.243 4.563 4.320 -0.000 0.000 0.248 1283 K C 0.597 177.211 176.600 0.023 0.000 0.969 1283 K CA -1.341 54.950 56.287 0.006 0.000 0.882 1283 K CB 0.933 33.438 32.500 0.007 0.000 1.080 1283 K HN 0.533 nan 8.250 nan 0.000 0.441 1284 N N 1.374 120.092 118.700 0.030 0.000 2.770 1284 N HA -0.221 4.519 4.740 -0.000 0.000 0.283 1284 N C -0.716 174.836 175.510 0.070 0.000 1.009 1284 N CA 0.407 53.486 53.050 0.047 0.000 0.828 1284 N CB -0.852 37.668 38.487 0.054 0.000 0.939 1284 N HN 0.426 nan 8.380 nan 0.000 0.580 1285 L N -0.172 121.101 121.223 0.083 0.000 2.468 1285 L HA 0.420 4.760 4.340 -0.000 0.000 0.254 1285 L C 1.976 178.946 176.870 0.166 0.000 1.171 1285 L CA -0.228 54.695 54.840 0.139 0.000 0.809 1285 L CB 0.184 42.356 42.059 0.189 0.000 1.155 1285 L HN 0.414 nan 8.230 nan 0.000 0.473 1286 G N -0.702 108.220 108.800 0.204 0.000 2.468 1286 G HA2 0.069 4.029 3.960 -0.000 0.000 0.264 1286 G HA3 0.069 4.029 3.960 -0.000 0.000 0.264 1286 G C 0.273 175.256 174.900 0.138 0.000 1.460 1286 G CA -0.402 44.795 45.100 0.162 0.000 1.060 1286 G HN 0.734 nan 8.290 nan 0.000 0.543 1287 R N -0.353 120.173 120.500 0.043 0.000 3.301 1287 R HA -0.214 4.126 4.340 -0.000 0.000 0.249 1287 R C 1.088 177.181 176.300 -0.346 0.000 0.964 1287 R CA 1.577 57.627 56.100 -0.082 0.000 0.653 1287 R CB -1.621 28.690 30.300 0.018 0.000 1.043 1287 R HN 2.396 nan 8.270 nan 0.000 0.454 1288 G N -0.474 108.206 108.800 -0.200 0.000 2.509 1288 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.256 1288 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.256 1288 G C 0.352 175.201 174.900 -0.084 0.000 1.152 1288 G CA 0.868 45.847 45.100 -0.200 0.000 0.951 1288 G HN 0.432 nan 8.290 nan 0.000 0.559 1289 Y N -0.514 119.802 120.300 0.026 0.000 2.716 1289 Y HA -0.275 4.275 4.550 -0.000 0.000 0.487 1289 Y C 2.058 177.886 175.900 -0.119 0.000 1.036 1289 Y CA 2.919 60.992 58.100 -0.044 0.000 3.083 1289 Y CB -1.986 36.484 38.460 0.018 0.000 0.923 1289 Y HN 1.617 nan 8.280 nan 0.000 0.569 1290 D N -1.817 118.645 120.400 0.103 0.000 4.510 1290 D HA -0.177 4.462 4.640 -0.000 0.000 0.134 1290 D C -0.460 175.833 176.300 -0.012 0.000 0.756 1290 D CA 1.638 55.655 54.000 0.029 0.000 1.077 1290 D CB -1.352 39.449 40.800 0.002 0.000 0.597 1290 D HN 0.420 nan 8.370 nan 0.000 0.579 1291 D N 1.445 121.818 120.400 -0.045 0.000 2.192 1291 D HA 0.685 5.325 4.640 -0.000 0.000 0.246 1291 D C -0.551 175.664 176.300 -0.142 0.000 1.042 1291 D CA 0.214 54.176 54.000 -0.064 0.000 0.847 1291 D CB 1.738 42.521 40.800 -0.030 0.000 1.186 1291 D HN 0.287 nan 8.370 nan 0.000 0.461 1292 E N 0.724 120.814 120.200 -0.185 0.000 2.649 1292 E HA 0.151 4.501 4.350 -0.000 0.000 0.308 1292 E C -1.918 174.570 176.600 -0.187 0.000 1.017 1292 E CA -0.547 55.654 56.400 -0.331 0.000 0.848 1292 E CB 0.920 30.075 29.700 -0.909 0.000 1.240 1292 E HN 0.044 nan 8.360 nan 0.000 0.421 1293 D N 4.414 124.773 120.400 -0.069 0.000 2.343 1293 D HA 0.200 4.840 4.640 -0.000 0.000 0.255 1293 D C 1.129 177.521 176.300 0.153 0.000 1.187 1293 D CA 0.151 54.178 54.000 0.045 0.000 0.875 1293 D CB 0.830 41.662 40.800 0.054 0.000 1.136 1293 D HN 0.485 nan 8.370 nan 0.000 0.469 1294 I N 1.638 122.292 120.570 0.141 0.000 2.584 1294 I HA -0.021 4.149 4.170 -0.000 0.000 0.255 1294 I C 0.690 176.856 176.117 0.082 0.000 1.145 1294 I CA 0.560 61.949 61.300 0.149 0.000 1.462 1294 I CB 0.090 38.147 38.000 0.095 0.000 1.102 1294 I HN 0.180 nan 8.210 nan 0.000 0.433 1295 L N 0.216 121.477 121.223 0.063 0.000 2.556 1295 L HA 0.475 4.815 4.340 -0.000 0.000 0.257 1295 L C -1.195 175.682 176.870 0.012 0.000 0.955 1295 L CA -0.424 54.450 54.840 0.057 0.000 0.850 1295 L CB 1.957 44.043 42.059 0.045 0.000 1.398 1295 L HN -0.008 nan 8.230 nan 0.000 0.412 1296 K N 3.456 123.872 120.400 0.026 0.000 2.592 1296 K HA 0.548 4.868 4.320 -0.000 0.000 0.265 1296 K C -2.318 174.305 176.600 0.038 0.000 1.006 1296 K CA -0.547 55.702 56.287 -0.063 0.000 0.907 1296 K CB 1.005 33.529 32.500 0.041 0.000 1.309 1296 K HN 0.620 nan 8.250 nan 0.000 0.452 1297 Y N -0.216 119.945 120.300 -0.232 0.000 2.521 1297 Y HA 0.490 5.040 4.550 -0.000 0.000 0.326 1297 Y C -1.856 173.975 175.900 -0.114 0.000 1.176 1297 Y CA -1.301 56.708 58.100 -0.151 0.000 1.079 1297 Y CB 0.934 39.282 38.460 -0.186 0.000 1.341 1297 Y HN 0.014 nan 8.280 nan 0.000 0.456 1298 V N 3.898 123.927 119.914 0.192 0.000 2.432 1298 V HA 0.184 4.304 4.120 -0.000 0.000 0.275 1298 V C -0.342 175.864 176.094 0.187 0.000 1.043 1298 V CA -0.111 62.303 62.300 0.189 0.000 0.925 1298 V CB 1.165 33.089 31.823 0.168 0.000 0.985 1298 V HN 0.833 nan 8.190 nan 0.000 0.466 1299 D N 4.128 124.652 120.400 0.205 0.000 2.225 1299 D HA 0.448 5.088 4.640 -0.000 0.000 0.248 1299 D C -1.034 175.358 176.300 0.153 0.000 1.096 1299 D CA -0.018 54.111 54.000 0.215 0.000 0.863 1299 D CB 1.975 42.982 40.800 0.345 0.000 1.156 1299 D HN 0.268 nan 8.370 nan 0.000 0.450 1300 V N 2.527 122.524 119.914 0.137 0.000 2.638 1300 V HA 0.840 4.960 4.120 -0.000 0.000 0.306 1300 V C 0.502 176.750 176.094 0.256 0.000 1.052 1300 V CA -0.370 62.042 62.300 0.188 0.000 0.885 1300 V CB 1.650 33.597 31.823 0.206 0.000 0.999 1300 V HN 0.772 nan 8.190 nan 0.000 0.424 1301 G N 2.914 111.849 108.800 0.226 0.000 2.451 1301 G HA2 0.861 4.821 3.960 -0.000 0.000 0.292 1301 G HA3 0.861 4.821 3.960 -0.000 0.000 0.292 1301 G C -1.559 173.453 174.900 0.186 0.000 1.427 1301 G CA 0.131 45.371 45.100 0.233 0.000 0.792 1301 G HN 1.299 nan 8.290 nan 0.000 0.498 1302 A N -0.777 122.152 122.820 0.182 0.000 2.594 1302 A HA 0.972 5.292 4.320 -0.000 0.000 0.295 1302 A C -0.394 177.281 177.584 0.152 0.000 1.071 1302 A CA 0.203 52.331 52.037 0.153 0.000 0.685 1302 A CB 1.801 20.889 19.000 0.146 0.000 1.285 1302 A HN 2.079 nan 8.150 nan 0.000 0.405 1303 T N -0.810 113.801 114.554 0.096 0.000 2.916 1303 T HA 0.664 5.014 4.350 -0.000 0.000 0.292 1303 T C -1.688 172.952 174.700 -0.099 0.000 1.055 1303 T CA -0.407 61.700 62.100 0.011 0.000 1.009 1303 T CB 1.431 70.252 68.868 -0.079 0.000 1.118 1303 T HN 1.419 nan 8.240 nan 0.000 0.497 1304 Y N 3.174 123.244 120.300 -0.383 0.000 2.346 1304 Y HA 0.562 5.112 4.550 -0.000 0.000 0.332 1304 Y C -1.892 173.613 175.900 -0.658 0.000 0.985 1304 Y CA -1.670 56.179 58.100 -0.417 0.000 1.112 1304 Y CB 1.049 39.279 38.460 -0.383 0.000 1.170 1304 Y HN 0.722 nan 8.280 nan 0.000 0.447 1305 Y N 7.615 127.379 120.300 -0.894 0.000 2.585 1305 Y HA 0.163 4.713 4.550 -0.000 0.000 0.354 1305 Y C 0.638 175.987 175.900 -0.919 0.000 1.024 1305 Y CA -0.210 57.471 58.100 -0.698 0.000 1.321 1305 Y CB -0.053 38.192 38.460 -0.358 0.000 1.151 1305 Y HN 0.689 nan 8.280 nan 0.000 0.525 1306 F N 1.132 120.908 119.950 -0.289 0.000 2.065 1306 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 1306 F C 1.014 176.793 175.800 -0.036 0.000 1.112 1306 F CA 1.484 59.440 58.000 -0.073 0.000 1.212 1306 F CB -0.296 38.762 39.000 0.098 0.000 0.975 1306 F HN 0.563 nan 8.300 nan 0.000 0.476 1307 N N -0.992 117.803 118.700 0.159 0.000 3.575 1307 N HA 0.130 4.870 4.740 -0.000 0.000 0.343 1307 N C -0.742 174.802 175.510 0.055 0.000 1.574 1307 N CA -0.885 52.212 53.050 0.078 0.000 0.832 1307 N CB 0.072 38.613 38.487 0.090 0.000 2.151 1307 N HN -0.090 nan 8.380 nan 0.000 0.552 1308 K N -0.964 119.436 120.400 -0.001 0.000 3.165 1308 K HA 0.411 4.731 4.320 -0.000 0.000 0.270 1308 K C -0.185 176.390 176.600 -0.042 0.000 1.111 1308 K CA 0.351 56.612 56.287 -0.043 0.000 1.216 1308 K CB -0.567 31.876 32.500 -0.096 0.000 1.229 1308 K HN 0.461 nan 8.250 nan 0.000 0.435 1309 N N -0.675 118.013 118.700 -0.019 0.000 1.839 1309 N HA 0.152 4.892 4.740 -0.000 0.000 0.232 1309 N C -1.329 174.074 175.510 -0.178 0.000 1.425 1309 N CA 0.110 53.085 53.050 -0.124 0.000 0.743 1309 N CB 0.568 39.000 38.487 -0.091 0.000 1.044 1309 N HN 0.415 nan 8.380 nan 0.000 0.519 1310 M N 0.562 120.183 119.600 0.035 0.000 2.490 1310 M HA 0.487 4.967 4.480 -0.000 0.000 0.286 1310 M C -1.936 174.582 176.300 0.363 0.000 1.185 1310 M CA -0.073 55.324 55.300 0.162 0.000 0.912 1310 M CB 1.910 34.622 32.600 0.187 0.000 1.744 1310 M HN 0.109 nan 8.290 nan 0.000 0.494 1311 S N 0.394 116.346 115.700 0.421 0.000 2.645 1311 S HA 0.883 5.353 4.470 -0.000 0.000 0.268 1311 S C -1.272 173.564 174.600 0.392 0.000 1.110 1311 S CA -0.613 57.816 58.200 0.380 0.000 0.823 1311 S CB 1.404 64.569 63.200 -0.059 0.000 1.091 1311 S HN 0.924 nan 8.310 nan 0.000 0.466 1312 T N 0.124 114.851 114.554 0.288 0.000 2.916 1312 T HA 0.858 5.208 4.350 -0.000 0.000 0.292 1312 T C -1.313 173.473 174.700 0.143 0.000 1.055 1312 T CA -0.801 61.420 62.100 0.203 0.000 1.009 1312 T CB 1.195 70.196 68.868 0.221 0.000 1.118 1312 T HN 1.323 nan 8.240 nan 0.000 0.497 1313 Y N -1.445 118.893 120.300 0.062 0.000 2.571 1313 Y HA 0.768 5.318 4.550 -0.000 0.000 0.341 1313 Y C -1.416 174.533 175.900 0.083 0.000 1.076 1313 Y CA -1.747 56.376 58.100 0.037 0.000 1.029 1313 Y CB 0.758 39.221 38.460 0.006 0.000 1.308 1313 Y HN 0.546 nan 8.280 nan 0.000 0.461 1314 V N 1.416 121.453 119.914 0.204 0.000 2.628 1314 V HA 0.662 4.782 4.120 -0.000 0.000 0.306 1314 V C -1.134 175.143 176.094 0.305 0.000 1.045 1314 V CA -0.471 61.954 62.300 0.207 0.000 0.905 1314 V CB 1.618 33.531 31.823 0.149 0.000 0.997 1314 V HN 0.834 nan 8.190 nan 0.000 0.436 1315 D N 1.306 121.919 120.400 0.355 0.000 2.857 1315 D HA 0.478 5.118 4.640 -0.000 0.000 0.227 1315 D C -2.023 174.620 176.300 0.570 0.000 1.192 1315 D CA -0.295 53.965 54.000 0.433 0.000 0.857 1315 D CB 2.375 43.391 40.800 0.360 0.000 1.645 1315 D HN 0.531 nan 8.370 nan 0.000 0.482 1316 Y N 2.526 123.001 120.300 0.292 0.000 2.373 1316 Y HA 0.301 4.851 4.550 -0.000 0.000 0.327 1316 Y C -1.138 174.749 175.900 -0.023 0.000 1.036 1316 Y CA -1.059 57.107 58.100 0.109 0.000 1.265 1316 Y CB 0.922 39.438 38.460 0.092 0.000 1.108 1316 Y HN 0.242 nan 8.280 nan 0.000 0.471 1317 K N 6.922 126.988 120.400 -0.557 0.000 2.262 1317 K HA 0.546 4.866 4.320 -0.000 0.000 0.282 1317 K C -1.345 174.841 176.600 -0.690 0.000 1.066 1317 K CA -0.278 55.569 56.287 -0.734 0.000 0.901 1317 K CB 0.396 32.131 32.500 -1.274 0.000 1.089 1317 K HN 0.722 nan 8.250 nan 0.000 0.476 1318 I N 4.465 124.712 120.570 -0.539 0.000 2.307 1318 I HA 0.080 4.250 4.170 -0.000 0.000 0.287 1318 I C -0.239 175.788 176.117 -0.150 0.000 1.054 1318 I CA -0.719 60.335 61.300 -0.409 0.000 1.218 1318 I CB 0.735 38.541 38.000 -0.324 0.000 1.398 1318 I HN 0.629 nan 8.210 nan 0.000 0.475 1319 N N 7.481 126.096 118.700 -0.142 0.000 2.469 1319 N HA 0.207 4.947 4.740 -0.000 0.000 0.239 1319 N C 0.140 175.656 175.510 0.009 0.000 1.053 1319 N CA -0.146 52.859 53.050 -0.076 0.000 0.937 1319 N CB 0.798 39.190 38.487 -0.159 0.000 1.163 1319 N HN 0.561 nan 8.380 nan 0.000 0.509 1320 L N 3.492 124.757 121.223 0.069 0.000 2.718 1320 L HA 0.208 4.548 4.340 -0.000 0.000 0.242 1320 L C 0.141 177.053 176.870 0.070 0.000 1.203 1320 L CA 0.068 54.954 54.840 0.076 0.000 1.011 1320 L CB -0.279 41.854 42.059 0.124 0.000 1.250 1320 L HN 0.374 nan 8.230 nan 0.000 0.437 1321 L N -0.392 120.864 121.223 0.055 0.000 2.325 1321 L HA 0.328 4.668 4.340 -0.000 0.000 0.279 1321 L C -0.257 176.643 176.870 0.050 0.000 1.054 1321 L CA -0.769 54.106 54.840 0.058 0.000 0.804 1321 L CB 1.202 43.296 42.059 0.058 0.000 1.200 1321 L HN 0.023 nan 8.230 nan 0.000 0.436 1322 D N 1.395 121.831 120.400 0.059 0.000 2.256 1322 D HA 0.100 4.740 4.640 -0.000 0.000 0.250 1322 D C -0.398 175.942 176.300 0.066 0.000 1.093 1322 D CA -0.389 53.645 54.000 0.056 0.000 0.882 1322 D CB 1.037 41.871 40.800 0.057 0.000 1.185 1322 D HN 0.336 nan 8.370 nan 0.000 0.437 1323 D N 1.796 122.228 120.400 0.053 0.000 2.648 1323 D HA -0.001 4.639 4.640 -0.000 0.000 0.229 1323 D C 0.186 176.536 176.300 0.082 0.000 1.119 1323 D CA 0.823 54.857 54.000 0.058 0.000 0.850 1323 D CB 0.310 41.137 40.800 0.045 0.000 1.169 1323 D HN 0.418 nan 8.370 nan 0.000 0.489 1324 N N -0.069 118.696 118.700 0.107 0.000 3.043 1324 N HA 0.127 4.867 4.740 -0.000 0.000 0.243 1324 N C 0.489 176.103 175.510 0.173 0.000 1.347 1324 N CA -0.597 52.537 53.050 0.140 0.000 0.896 1324 N CB 0.549 39.143 38.487 0.177 0.000 1.501 1324 N HN 0.252 nan 8.380 nan 0.000 0.504 1325 Q N 0.166 120.077 119.800 0.185 0.000 2.528 1325 Q HA -0.146 4.194 4.340 -0.000 0.000 0.217 1325 Q C 1.196 177.374 176.000 0.297 0.000 0.988 1325 Q CA 1.720 57.642 55.803 0.199 0.000 0.900 1325 Q CB -0.848 27.991 28.738 0.168 0.000 0.947 1325 Q HN 0.568 nan 8.270 nan 0.000 0.502 1326 F N 1.412 121.451 119.950 0.150 0.000 2.059 1326 F HA -0.100 4.427 4.527 -0.000 0.000 0.289 1326 F C 2.688 178.431 175.800 -0.096 0.000 1.128 1326 F CA 2.658 60.650 58.000 -0.013 0.000 1.181 1326 F CB -0.660 38.290 39.000 -0.084 0.000 1.012 1326 F HN 0.351 nan 8.300 nan 0.000 0.473 1327 T N -0.589 113.904 114.554 -0.102 0.000 2.555 1327 T HA -0.293 4.057 4.350 -0.000 0.000 0.264 1327 T C 2.121 176.676 174.700 -0.242 0.000 1.083 1327 T CA 1.603 63.538 62.100 -0.276 0.000 1.179 1327 T CB -1.001 67.856 68.868 -0.018 0.000 0.863 1327 T HN 0.318 nan 8.240 nan 0.000 0.412 1328 R N 1.456 121.906 120.500 -0.084 0.000 2.327 1328 R HA -0.306 4.034 4.340 -0.000 0.000 0.239 1328 R C 2.125 178.390 176.300 -0.059 0.000 1.085 1328 R CA 2.765 58.840 56.100 -0.040 0.000 0.890 1328 R CB -1.050 29.263 30.300 0.022 0.000 0.983 1328 R HN 0.492 nan 8.270 nan 0.000 0.419 1329 D N -0.986 119.383 120.400 -0.052 0.000 2.116 1329 D HA -0.155 4.485 4.640 -0.000 0.000 0.193 1329 D C 1.630 177.884 176.300 -0.076 0.000 0.998 1329 D CA 1.887 55.890 54.000 0.005 0.000 0.836 1329 D CB -0.374 40.497 40.800 0.119 0.000 0.951 1329 D HN 0.543 nan 8.370 nan 0.000 0.449 1330 A N -0.162 122.481 122.820 -0.296 0.000 2.167 1330 A HA 0.311 4.631 4.320 -0.000 0.000 0.214 1330 A C 1.546 179.001 177.584 -0.215 0.000 1.151 1330 A CA 1.114 52.954 52.037 -0.329 0.000 0.735 1330 A CB -0.431 18.199 19.000 -0.616 0.000 0.802 1330 A HN 0.285 nan 8.150 nan 0.000 0.467 1331 G N -0.275 108.428 108.800 -0.162 0.000 2.367 1331 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.295 1331 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.295 1331 G C -0.173 174.646 174.900 -0.135 0.000 1.019 1331 G CA 0.468 45.499 45.100 -0.115 0.000 1.224 1331 G HN 0.475 nan 8.290 nan 0.000 0.510 1332 I N 0.223 120.701 120.570 -0.154 0.000 2.412 1332 I HA 0.223 4.393 4.170 -0.000 0.000 0.296 1332 I C 0.501 176.566 176.117 -0.086 0.000 0.987 1332 I CA -1.068 60.154 61.300 -0.131 0.000 1.180 1332 I CB 1.632 39.538 38.000 -0.157 0.000 1.340 1332 I HN 0.354 nan 8.210 nan 0.000 0.455 1333 N N 2.907 121.563 118.700 -0.073 0.000 2.520 1333 N HA 0.087 4.827 4.740 -0.000 0.000 0.273 1333 N C 0.615 176.088 175.510 -0.061 0.000 1.155 1333 N CA 0.184 53.196 53.050 -0.065 0.000 0.967 1333 N CB 1.037 39.480 38.487 -0.074 0.000 1.092 1333 N HN 0.723 nan 8.380 nan 0.000 0.457 1334 T N -0.967 113.559 114.554 -0.046 0.000 2.964 1334 T HA 0.158 4.508 4.350 -0.000 0.000 0.249 1334 T C 0.104 174.779 174.700 -0.042 0.000 1.000 1334 T CA -0.209 61.873 62.100 -0.030 0.000 0.992 1334 T CB -0.188 68.680 68.868 0.001 0.000 1.087 1334 T HN 0.402 nan 8.240 nan 0.000 0.489 1335 D N 2.957 123.331 120.400 -0.043 0.000 2.363 1335 D HA 0.155 4.795 4.640 -0.000 0.000 0.240 1335 D C 0.155 176.396 176.300 -0.098 0.000 1.236 1335 D CA -0.108 53.865 54.000 -0.044 0.000 0.927 1335 D CB 0.434 41.222 40.800 -0.020 0.000 1.150 1335 D HN 0.365 nan 8.370 nan 0.000 0.458 1336 N N 0.076 118.728 118.700 -0.080 0.000 2.326 1336 N HA 0.281 5.021 4.740 -0.000 0.000 0.239 1336 N C 0.076 175.509 175.510 -0.130 0.000 1.301 1336 N CA 0.229 53.200 53.050 -0.133 0.000 0.909 1336 N CB 0.858 39.335 38.487 -0.015 0.000 1.156 1336 N HN 0.326 nan 8.380 nan 0.000 0.462 1337 I N -0.705 119.740 120.570 -0.208 0.000 3.195 1337 I HA 0.382 4.552 4.170 -0.000 0.000 0.313 1337 I C -0.827 175.312 176.117 0.036 0.000 1.237 1337 I CA -0.974 60.261 61.300 -0.109 0.000 0.963 1337 I CB 2.221 40.037 38.000 -0.307 0.000 1.278 1337 I HN 0.019 nan 8.210 nan 0.000 0.460 1338 V N 1.680 121.724 119.914 0.216 0.000 2.789 1338 V HA 0.873 4.993 4.120 -0.000 0.000 0.311 1338 V C -0.510 175.817 176.094 0.389 0.000 1.073 1338 V CA -0.570 61.949 62.300 0.366 0.000 0.921 1338 V CB 1.830 33.844 31.823 0.317 0.000 1.009 1338 V HN 0.854 nan 8.190 nan 0.000 0.426 1339 A N 4.244 127.305 122.820 0.401 0.000 2.365 1339 A HA 0.928 5.248 4.320 -0.000 0.000 0.318 1339 A C -1.303 176.469 177.584 0.314 0.000 1.091 1339 A CA -0.549 51.681 52.037 0.321 0.000 0.763 1339 A CB 1.400 20.483 19.000 0.138 0.000 1.248 1339 A HN 0.792 nan 8.150 nan 0.000 0.442 1340 L N 1.859 123.250 121.223 0.280 0.000 2.356 1340 L HA 0.751 5.091 4.340 -0.000 0.000 0.277 1340 L C 0.301 177.079 176.870 -0.152 0.000 0.996 1340 L CA -0.293 54.593 54.840 0.077 0.000 0.822 1340 L CB 2.190 44.388 42.059 0.232 0.000 1.256 1340 L HN 0.911 nan 8.230 nan 0.000 0.413 1341 G N 3.410 111.795 108.800 -0.691 0.000 2.612 1341 G HA2 0.632 4.591 3.960 -0.000 0.000 0.298 1341 G HA3 0.632 4.591 3.960 -0.000 0.000 0.298 1341 G C -2.308 172.309 174.900 -0.472 0.000 1.336 1341 G CA -0.438 44.212 45.100 -0.752 0.000 0.953 1341 G HN 0.295 nan 8.290 nan 0.000 0.482 1342 L N 1.337 122.486 121.223 -0.123 0.000 2.385 1342 L HA 0.841 5.181 4.340 -0.000 0.000 0.273 1342 L C -0.899 176.039 176.870 0.114 0.000 0.990 1342 L CA -1.040 53.820 54.840 0.033 0.000 0.821 1342 L CB 1.854 43.935 42.059 0.037 0.000 1.279 1342 L HN 0.377 nan 8.230 nan 0.000 0.412 1343 V N 4.890 124.914 119.914 0.183 0.000 2.841 1343 V HA 0.471 4.591 4.120 -0.000 0.000 0.310 1343 V C -1.618 174.599 176.094 0.204 0.000 1.090 1343 V CA -0.754 61.657 62.300 0.186 0.000 0.930 1343 V CB 2.059 34.006 31.823 0.208 0.000 1.014 1343 V HN 0.678 nan 8.190 nan 0.000 0.425 1344 Y N 4.616 124.960 120.300 0.074 0.000 2.329 1344 Y HA 0.646 5.196 4.550 -0.000 0.000 0.328 1344 Y C -0.462 175.502 175.900 0.106 0.000 0.992 1344 Y CA -0.419 57.733 58.100 0.087 0.000 1.151 1344 Y CB 1.575 40.073 38.460 0.064 0.000 1.150 1344 Y HN 0.695 nan 8.280 nan 0.000 0.450 1345 Q N 6.727 126.222 119.800 -0.507 0.000 2.353 1345 Q HA 0.449 4.789 4.340 -0.000 0.000 0.268 1345 Q C -1.627 174.155 176.000 -0.363 0.000 1.045 1345 Q CA -0.734 54.903 55.803 -0.276 0.000 0.811 1345 Q CB 2.752 31.399 28.738 -0.151 0.000 1.305 1345 Q HN 0.662 nan 8.270 nan 0.000 0.447 1346 F N 0.000 119.876 119.950 -0.124 0.000 2.286 1346 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1346 F CA 0.000 57.988 58.000 -0.020 0.000 1.383 1346 F CB 0.000 39.114 39.000 0.190 0.000 1.145 1346 F HN 0.000 nan 8.300 nan 0.000 0.574