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 1y8z_1_B DATA FIRST_RESID 999 DATA SEQUENCE GSMRICIFMA RGLEGXGVTK FSLEQRDWFI KNGHEVTLVY AKDKSFTRTS DATA SEQUENCE SHDHKSFSIP VILAKEYDKA LKLVNDCDIL IINSVPATSV QEATINNYKK DATA SEQUENCE LLDNIKPSIR VVVYQHDHSV LSLRRNLGLE ETVRRADVIF SHSXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXVYNFQPPM DIVKVRSTYW KDVSEINMNI DATA SEQUENCE NRWIGRTTTW KGFYQMFDFH EKFLKPAGKS TVMEGLERSP AFIAIKEKGI DATA SEQUENCE PYEYYGNREI DKMNLAPNQP AQILDXYINS EMLERMSKSG FGYQLSKLNQ DATA SEQUENCE KYLQRSLEYT HLELGACGTI PVFWKSTGEN LKFRVDNTPL TSHDSGIIWF DATA SEQUENCE DENDMESTFE RIKELSSDRA LYDREREKAY EFLYQHQDSS FCFKEQFDII DATA SEQUENCE TK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 999 G HA2 0.000 nan 3.960 nan 0.000 0.244 999 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 999 G C 0.000 175.006 174.900 0.176 0.000 0.946 999 G CA 0.000 45.167 45.100 0.112 0.000 0.502 1000 S N 0.871 116.625 115.700 0.090 0.000 2.563 1000 S HA 0.598 5.068 4.470 -0.000 0.000 0.284 1000 S C 0.279 175.039 174.600 0.267 0.000 1.331 1000 S CA 0.449 58.712 58.200 0.105 0.000 1.047 1000 S CB 0.138 63.325 63.200 -0.021 0.000 0.859 1000 S HN 0.295 nan 8.310 nan 0.000 0.514 1001 M N 2.847 122.755 119.600 0.513 0.000 2.631 1001 M HA 0.473 4.953 4.480 -0.000 0.000 0.288 1001 M C -0.553 175.847 176.300 0.166 0.000 1.260 1001 M CA -0.725 54.732 55.300 0.261 0.000 0.842 1001 M CB 2.226 34.929 32.600 0.172 0.000 1.743 1001 M HN 0.519 nan 8.290 nan 0.000 0.461 1002 R N 1.597 122.127 120.500 0.051 0.000 2.255 1002 R HA 0.604 4.944 4.340 -0.000 0.000 0.326 1002 R C -1.164 175.091 176.300 -0.076 0.000 0.986 1002 R CA -0.505 55.593 56.100 -0.002 0.000 0.847 1002 R CB 0.894 31.188 30.300 -0.009 0.000 1.111 1002 R HN 0.445 nan 8.270 nan 0.000 0.452 1003 I N 2.661 123.149 120.570 -0.137 0.000 2.378 1003 I HA 0.206 4.376 4.170 -0.000 0.000 0.291 1003 I C 0.009 176.027 176.117 -0.166 0.000 0.992 1003 I CA -0.995 60.151 61.300 -0.256 0.000 1.154 1003 I CB 1.491 39.136 38.000 -0.592 0.000 1.315 1003 I HN 0.659 nan 8.210 nan 0.000 0.448 1004 C N 8.165 127.392 119.300 -0.121 0.000 2.281 1004 C HA 0.601 5.061 4.460 -0.000 0.000 0.323 1004 C C 0.095 175.084 174.990 -0.003 0.000 1.270 1004 C CA -0.476 58.507 59.018 -0.058 0.000 1.559 1004 C CB -0.713 26.986 27.740 -0.069 0.000 2.239 1004 C HN 0.643 nan 8.230 nan 0.000 0.488 1005 I N 6.499 127.093 120.570 0.039 0.000 2.304 1005 I HA 0.298 4.468 4.170 -0.000 0.000 0.291 1005 I C -0.230 176.037 176.117 0.251 0.000 1.018 1005 I CA 0.002 61.369 61.300 0.112 0.000 1.260 1005 I CB 0.643 38.678 38.000 0.059 0.000 1.390 1005 I HN 0.632 nan 8.210 nan 0.000 0.475 1006 F N 7.496 127.498 119.950 0.086 0.000 2.402 1006 F HA 0.516 5.043 4.527 0.000 0.000 0.355 1006 F C -0.211 175.664 175.800 0.124 0.000 1.123 1006 F CA -0.965 57.101 58.000 0.109 0.000 1.021 1006 F CB 1.082 40.150 39.000 0.114 0.000 1.160 1006 F HN 0.357 nan 8.300 nan 0.000 0.451 1007 M N 6.697 126.333 119.600 0.061 0.000 2.208 1007 M HA 0.262 4.742 4.480 -0.000 0.000 0.352 1007 M C 0.735 176.822 176.300 -0.355 0.000 1.137 1007 M CA -0.286 54.934 55.300 -0.133 0.000 1.091 1007 M CB 1.401 33.982 32.600 -0.032 0.000 1.309 1007 M HN 0.788 nan 8.290 nan 0.000 0.408 1008 A N 2.131 124.508 122.820 -0.737 0.000 2.168 1008 A HA -0.051 4.268 4.320 -0.000 0.000 0.215 1008 A C 2.090 179.475 177.584 -0.331 0.000 1.152 1008 A CA 1.103 52.688 52.037 -0.752 0.000 0.716 1008 A CB -0.301 18.120 19.000 -0.965 0.000 0.794 1008 A HN 0.818 nan 8.150 nan 0.000 0.465 1009 R N -0.889 119.479 120.500 -0.220 0.000 2.161 1009 R HA 0.280 4.620 4.340 -0.000 0.000 0.213 1009 R C 0.859 177.215 176.300 0.094 0.000 1.055 1009 R CA 0.949 57.006 56.100 -0.071 0.000 0.996 1009 R CB 0.009 30.259 30.300 -0.084 0.000 0.901 1009 R HN 0.632 nan 8.270 nan 0.000 0.456 1010 G N -0.120 108.704 108.800 0.040 0.000 2.354 1010 G HA2 -0.087 3.872 3.960 -0.000 0.000 0.582 1010 G HA3 -0.087 3.872 3.960 -0.000 0.000 0.582 1010 G C -1.710 173.104 174.900 -0.144 0.000 1.316 1010 G CA -0.652 44.571 45.100 0.204 0.000 0.995 1010 G HN 0.129 nan 8.290 nan 0.000 0.573 1011 L N 1.001 122.094 121.223 -0.216 0.000 2.288 1011 L HA 0.482 4.822 4.340 -0.000 0.000 0.283 1011 L C 1.455 177.970 176.870 -0.592 0.000 1.072 1011 L CA -0.481 54.028 54.840 -0.552 0.000 0.862 1011 L CB 0.306 41.759 42.059 -1.009 0.000 1.245 1011 L HN 0.776 nan 8.230 nan 0.000 0.432 1012 E N 3.462 123.166 120.200 -0.827 0.000 2.208 1012 E HA 0.128 4.478 4.350 -0.000 0.000 0.193 1012 E C 0.998 177.399 176.600 -0.332 0.000 0.988 1012 E CA 0.520 56.395 56.400 -0.874 0.000 0.828 1012 E CB 0.096 29.293 29.700 -0.838 0.000 0.763 1012 E HN 0.901 nan 8.360 nan 0.000 0.478 1016 V N 1.957 121.760 119.914 -0.185 0.000 2.358 1016 V HA -0.109 4.010 4.120 -0.000 0.000 0.246 1016 V C 2.972 178.925 176.094 -0.235 0.000 1.047 1016 V CA 2.859 64.964 62.300 -0.324 0.000 1.035 1016 V CB -0.952 30.692 31.823 -0.298 0.000 0.658 1016 V HN 0.408 nan 8.190 nan 0.000 0.452 1017 T N -0.292 114.086 114.554 -0.294 0.000 2.708 1017 T HA -0.226 4.123 4.350 -0.000 0.000 0.266 1017 T C 2.020 176.447 174.700 -0.454 0.000 1.037 1017 T CA 1.899 63.780 62.100 -0.364 0.000 1.146 1017 T CB -0.230 68.391 68.868 -0.411 0.000 0.865 1017 T HN 0.316 nan 8.240 nan 0.000 0.435 1018 K N 1.124 121.146 120.400 -0.630 0.000 2.026 1018 K HA -0.037 4.283 4.320 -0.000 0.000 0.208 1018 K C 1.847 178.138 176.600 -0.515 0.000 1.048 1018 K CA 1.278 57.095 56.287 -0.783 0.000 0.929 1018 K CB -0.899 31.031 32.500 -0.951 0.000 0.713 1018 K HN 0.339 nan 8.250 nan 0.000 0.439 1019 F N 0.928 120.621 119.950 -0.428 0.000 2.095 1019 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 1019 F C 1.951 177.752 175.800 0.001 0.000 1.104 1019 F CA 1.990 59.975 58.000 -0.023 0.000 1.232 1019 F CB -0.634 38.419 39.000 0.090 0.000 0.987 1019 F HN 0.026 nan 8.300 nan 0.000 0.475 1020 S N 0.988 116.644 115.700 -0.073 0.000 2.383 1020 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 1020 S C 2.079 176.603 174.600 -0.126 0.000 1.030 1020 S CA 1.634 59.763 58.200 -0.119 0.000 1.002 1020 S CB -0.547 62.634 63.200 -0.032 0.000 0.829 1020 S HN 0.410 nan 8.310 nan 0.000 0.467 1021 L N 0.976 122.133 121.223 -0.109 0.000 2.109 1021 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 1021 L C 2.585 179.435 176.870 -0.033 0.000 1.086 1021 L CA 0.885 55.716 54.840 -0.016 0.000 0.760 1021 L CB -0.473 41.596 42.059 0.018 0.000 0.910 1021 L HN 0.189 nan 8.230 nan 0.000 0.437 1022 E N 0.109 120.279 120.200 -0.051 0.000 2.107 1022 E HA -0.240 4.110 4.350 -0.000 0.000 0.191 1022 E C 2.048 178.680 176.600 0.052 0.000 0.982 1022 E CA 0.939 57.396 56.400 0.094 0.000 0.809 1022 E CB -0.017 29.819 29.700 0.226 0.000 0.756 1022 E HN 0.514 nan 8.360 nan 0.000 0.459 1023 Q N 0.839 120.497 119.800 -0.237 0.000 2.079 1023 Q HA -0.154 4.186 4.340 -0.000 0.000 0.200 1023 Q C 2.325 178.212 176.000 -0.189 0.000 0.974 1023 Q CA 1.359 56.762 55.803 -0.668 0.000 0.840 1023 Q CB 0.018 28.320 28.738 -0.725 0.000 0.898 1023 Q HN 0.071 nan 8.270 nan 0.000 0.430 1024 R N 0.156 120.604 120.500 -0.087 0.000 2.081 1024 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 1024 R C 1.429 177.724 176.300 -0.008 0.000 1.131 1024 R CA 1.972 58.064 56.100 -0.015 0.000 0.960 1024 R CB -0.148 30.116 30.300 -0.060 0.000 0.856 1024 R HN 0.319 nan 8.270 nan 0.000 0.436 1025 D N -0.344 120.038 120.400 -0.030 0.000 2.097 1025 D HA -0.214 4.426 4.640 -0.000 0.000 0.195 1025 D C 1.457 177.753 176.300 -0.006 0.000 0.989 1025 D CA 1.274 55.262 54.000 -0.021 0.000 0.827 1025 D CB -0.501 40.315 40.800 0.027 0.000 0.966 1025 D HN 0.399 nan 8.370 nan 0.000 0.456 1026 W N 0.617 121.808 121.300 -0.181 0.000 2.355 1026 W HA -0.178 4.482 4.660 -0.000 0.000 0.309 1026 W C 2.107 178.460 176.519 -0.277 0.000 1.206 1026 W CA 1.247 58.438 57.345 -0.257 0.000 1.284 1026 W CB -0.631 28.544 29.460 -0.475 0.000 1.145 1026 W HN -0.147 nan 8.180 nan 0.000 0.502 1027 F N 0.299 120.257 119.950 0.012 0.000 2.102 1027 F HA -0.219 4.308 4.527 0.000 0.000 0.298 1027 F C 2.354 178.071 175.800 -0.139 0.000 1.105 1027 F CA 1.940 59.931 58.000 -0.015 0.000 1.239 1027 F CB -0.793 38.261 39.000 0.089 0.000 0.991 1027 F HN -0.207 nan 8.300 nan 0.000 0.474 1028 I N 0.075 120.673 120.570 0.047 0.000 2.179 1028 I HA -0.344 3.826 4.170 -0.000 0.000 0.242 1028 I C 2.500 178.512 176.117 -0.175 0.000 1.088 1028 I CA 1.493 62.760 61.300 -0.055 0.000 1.357 1028 I CB -0.541 37.413 38.000 -0.078 0.000 1.051 1028 I HN 0.106 nan 8.210 nan 0.000 0.409 1029 K N 1.391 121.643 120.400 -0.246 0.000 2.152 1029 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 1029 K C 0.765 177.111 176.600 -0.424 0.000 1.048 1029 K CA 1.817 57.919 56.287 -0.308 0.000 0.933 1029 K CB -0.106 32.200 32.500 -0.323 0.000 0.721 1029 K HN 0.308 nan 8.250 nan 0.000 0.447 1030 N N -0.338 117.994 118.700 -0.613 0.000 2.378 1030 N HA 0.149 4.889 4.740 -0.000 0.000 0.243 1030 N C -0.306 174.863 175.510 -0.567 0.000 1.137 1030 N CA 0.566 53.214 53.050 -0.670 0.000 0.862 1030 N CB 1.261 39.072 38.487 -1.127 0.000 1.116 1030 N HN 0.387 nan 8.380 nan 0.000 0.499 1031 G N 0.528 109.077 108.800 -0.417 0.000 2.160 1031 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 1031 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 1031 G C -0.476 174.151 174.900 -0.454 0.000 1.022 1031 G CA -0.159 44.701 45.100 -0.400 0.000 0.741 1031 G HN 0.453 nan 8.290 nan 0.000 0.508 1032 H N -0.141 118.908 119.070 -0.035 0.000 2.670 1032 H HA 0.481 5.037 4.556 -0.000 0.000 0.361 1032 H C -0.089 175.247 175.328 0.013 0.000 1.169 1032 H CA -0.618 55.460 56.048 0.050 0.000 1.198 1032 H CB 1.455 31.352 29.762 0.225 0.000 1.700 1032 H HN 0.382 nan 8.280 nan 0.000 0.542 1033 E N 1.292 121.572 120.200 0.132 0.000 2.249 1033 E HA 0.383 4.733 4.350 -0.000 0.000 0.280 1033 E C -0.780 175.830 176.600 0.017 0.000 1.016 1033 E CA -0.608 55.819 56.400 0.045 0.000 0.830 1033 E CB 1.692 31.407 29.700 0.024 0.000 1.081 1033 E HN 0.144 nan 8.360 nan 0.000 0.395 1034 V N 2.350 122.260 119.914 -0.007 0.000 2.656 1034 V HA 0.386 4.506 4.120 -0.000 0.000 0.307 1034 V C -0.143 175.947 176.094 -0.007 0.000 1.051 1034 V CA -0.824 61.456 62.300 -0.034 0.000 0.893 1034 V CB 2.044 33.845 31.823 -0.037 0.000 0.999 1034 V HN 0.831 nan 8.190 nan 0.000 0.426 1035 T N 2.726 117.279 114.554 -0.002 0.000 2.824 1035 T HA 0.653 5.002 4.350 -0.000 0.000 0.282 1035 T C -0.981 173.765 174.700 0.077 0.000 0.993 1035 T CA -0.635 61.490 62.100 0.041 0.000 0.967 1035 T CB 1.693 70.567 68.868 0.009 0.000 0.960 1035 T HN 0.457 nan 8.240 nan 0.000 0.441 1036 L N 4.717 126.037 121.223 0.161 0.000 2.294 1036 L HA 0.652 4.992 4.340 -0.000 0.000 0.283 1036 L C -1.147 175.862 176.870 0.233 0.000 1.015 1036 L CA -0.679 54.287 54.840 0.211 0.000 0.831 1036 L CB 0.854 43.102 42.059 0.316 0.000 1.217 1036 L HN 0.691 nan 8.230 nan 0.000 0.420 1037 V N 6.695 126.754 119.914 0.242 0.000 2.555 1037 V HA 0.534 4.654 4.120 -0.000 0.000 0.302 1037 V C -0.825 175.552 176.094 0.471 0.000 1.038 1037 V CA -0.639 61.818 62.300 0.261 0.000 0.887 1037 V CB 1.723 33.603 31.823 0.095 0.000 0.991 1037 V HN 0.704 nan 8.190 nan 0.000 0.434 1038 Y N 1.799 122.242 120.300 0.239 0.000 2.504 1038 Y HA 0.879 5.429 4.550 0.000 0.000 0.344 1038 Y C -0.193 175.825 175.900 0.197 0.000 1.023 1038 Y CA -1.496 56.717 58.100 0.188 0.000 1.020 1038 Y CB 1.403 39.889 38.460 0.043 0.000 1.282 1038 Y HN 0.744 nan 8.280 nan 0.000 0.454 1039 A N 3.675 126.632 122.820 0.229 0.000 2.404 1039 A HA 0.346 4.666 4.320 -0.000 0.000 0.273 1039 A C 0.456 178.147 177.584 0.178 0.000 1.144 1039 A CA -0.554 51.572 52.037 0.147 0.000 0.806 1039 A CB 0.032 19.111 19.000 0.132 0.000 1.080 1039 A HN 0.877 nan 8.150 nan 0.000 0.509 1040 K N 1.621 122.058 120.400 0.062 0.000 2.437 1040 K HA 0.116 4.436 4.320 -0.000 0.000 0.198 1040 K C -0.453 176.214 176.600 0.111 0.000 1.024 1040 K CA 0.369 56.743 56.287 0.145 0.000 1.148 1040 K CB 0.199 32.733 32.500 0.057 0.000 0.860 1040 K HN 0.513 nan 8.250 nan 0.000 0.515 1041 D N 1.945 122.402 120.400 0.095 0.000 2.123 1041 D HA -0.163 4.476 4.640 -0.000 0.000 0.196 1041 D C 0.215 176.532 176.300 0.028 0.000 0.992 1041 D CA 1.436 55.471 54.000 0.059 0.000 0.833 1041 D CB 0.161 40.997 40.800 0.061 0.000 0.954 1041 D HN 0.264 nan 8.370 nan 0.000 0.455 1042 K N 0.320 120.746 120.400 0.043 0.000 2.274 1042 K HA 0.372 4.692 4.320 -0.000 0.000 0.262 1042 K C -0.734 175.752 176.600 -0.190 0.000 0.961 1042 K CA -0.444 55.776 56.287 -0.113 0.000 0.833 1042 K CB 1.635 34.053 32.500 -0.136 0.000 1.102 1042 K HN -0.097 nan 8.250 nan 0.000 0.436 1043 S N 3.104 118.611 115.700 -0.321 0.000 2.672 1043 S HA 0.638 5.108 4.470 -0.000 0.000 0.276 1043 S C -1.012 173.216 174.600 -0.621 0.000 1.207 1043 S CA -0.486 57.581 58.200 -0.222 0.000 1.002 1043 S CB 0.295 63.438 63.200 -0.095 0.000 0.998 1043 S HN 0.433 nan 8.310 nan 0.000 0.542 1044 F N -0.074 119.881 119.950 0.008 0.000 2.626 1044 F HA 0.366 4.893 4.527 -0.000 0.000 0.311 1044 F C 1.428 177.219 175.800 -0.015 0.000 1.088 1044 F CA -0.833 57.160 58.000 -0.011 0.000 0.949 1044 F CB 1.390 40.372 39.000 -0.030 0.000 1.322 1044 F HN 0.508 nan 8.300 nan 0.000 0.461 1045 T N -0.405 114.246 114.554 0.162 0.000 2.857 1045 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 1045 T C 1.364 176.094 174.700 0.050 0.000 1.048 1045 T CA 1.240 63.384 62.100 0.074 0.000 1.139 1045 T CB -0.162 68.733 68.868 0.044 0.000 0.874 1045 T HN 0.382 nan 8.240 nan 0.000 0.455 1046 R N 1.249 121.777 120.500 0.047 0.000 2.568 1046 R HA 0.223 4.562 4.340 -0.000 0.000 0.288 1046 R C 1.552 177.849 176.300 -0.005 0.000 1.077 1046 R CA -0.007 56.080 56.100 -0.022 0.000 1.102 1046 R CB -0.235 30.014 30.300 -0.085 0.000 1.278 1046 R HN 0.218 nan 8.270 nan 0.000 0.560 1047 T N 0.180 114.762 114.554 0.045 0.000 2.803 1047 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 1047 T C 1.601 176.381 174.700 0.134 0.000 1.052 1047 T CA 1.556 63.689 62.100 0.054 0.000 1.136 1047 T CB 0.021 68.948 68.868 0.099 0.000 0.864 1047 T HN 0.180 nan 8.240 nan 0.000 0.467 1048 S N 0.758 116.498 115.700 0.067 0.000 2.605 1048 S HA 0.159 4.629 4.470 -0.000 0.000 0.217 1048 S C 2.090 176.683 174.600 -0.012 0.000 0.958 1048 S CA -0.217 58.005 58.200 0.037 0.000 0.919 1048 S CB -0.072 63.127 63.200 -0.002 0.000 0.780 1048 S HN 0.350 nan 8.310 nan 0.000 0.507 1049 S N 1.105 116.768 115.700 -0.062 0.000 2.368 1049 S HA -0.041 4.429 4.470 -0.000 0.000 0.225 1049 S C 0.378 174.792 174.600 -0.310 0.000 1.030 1049 S CA 1.255 59.316 58.200 -0.233 0.000 0.999 1049 S CB -0.087 62.886 63.200 -0.378 0.000 0.844 1049 S HN 0.626 nan 8.310 nan 0.000 0.459 1050 H N 0.294 119.372 119.070 0.014 0.000 2.499 1050 H HA 0.357 4.913 4.556 -0.000 0.000 0.340 1050 H C -0.535 174.860 175.328 0.112 0.000 1.148 1050 H CA -0.869 55.213 56.048 0.056 0.000 1.215 1050 H CB 0.677 30.452 29.762 0.021 0.000 1.529 1050 H HN -0.045 nan 8.280 nan 0.000 0.510 1051 D N 1.922 122.447 120.400 0.209 0.000 2.374 1051 D HA -0.032 4.608 4.640 -0.000 0.000 0.240 1051 D C 0.277 176.639 176.300 0.105 0.000 1.229 1051 D CA 0.182 54.245 54.000 0.104 0.000 0.895 1051 D CB 0.127 41.005 40.800 0.129 0.000 1.046 1051 D HN 0.869 nan 8.370 nan 0.000 0.498 1052 H N 2.059 121.010 119.070 -0.197 0.000 3.771 1052 H HA 0.159 4.715 4.556 -0.000 0.000 0.260 1052 H C 0.778 175.593 175.328 -0.855 0.000 1.158 1052 H CA -0.303 55.305 56.048 -0.733 0.000 1.170 1052 H CB 0.186 29.662 29.762 -0.476 0.000 1.539 1052 H HN 0.201 nan 8.280 nan 0.000 0.634 1053 K N 1.678 121.509 120.400 -0.947 0.000 2.218 1053 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 1053 K C 2.043 178.460 176.600 -0.305 0.000 1.046 1053 K CA 1.767 57.720 56.287 -0.556 0.000 0.933 1053 K CB 0.054 32.312 32.500 -0.403 0.000 0.728 1053 K HN 0.350 nan 8.250 nan 0.000 0.454 1054 S N 0.145 115.689 115.700 -0.259 0.000 2.561 1054 S HA -0.069 4.401 4.470 -0.000 0.000 0.225 1054 S C 1.378 176.048 174.600 0.116 0.000 0.977 1054 S CA 0.424 58.616 58.200 -0.013 0.000 0.926 1054 S CB -0.341 62.936 63.200 0.128 0.000 0.769 1054 S HN 0.473 nan 8.310 nan 0.000 0.533 1055 F N 0.408 120.394 119.950 0.061 0.000 2.897 1055 F HA 0.465 4.992 4.527 -0.000 0.000 0.364 1055 F C 0.410 176.283 175.800 0.122 0.000 0.940 1055 F CA -0.430 57.616 58.000 0.076 0.000 1.106 1055 F CB -0.394 38.644 39.000 0.063 0.000 1.034 1055 F HN 0.164 nan 8.300 nan 0.000 0.583 1056 S N 2.608 118.204 115.700 -0.173 0.000 2.568 1056 S HA 0.423 4.893 4.470 -0.000 0.000 0.282 1056 S C -0.303 174.426 174.600 0.214 0.000 1.338 1056 S CA -0.260 58.032 58.200 0.152 0.000 1.045 1056 S CB 0.549 63.929 63.200 0.301 0.000 0.873 1056 S HN 0.298 nan 8.310 nan 0.000 0.516 1057 I N 4.057 124.753 120.570 0.211 0.000 2.390 1057 I HA 0.353 4.522 4.170 -0.000 0.000 0.283 1057 I C -2.298 173.713 176.117 -0.175 0.000 1.016 1057 I CA -2.431 58.898 61.300 0.048 0.000 1.151 1057 I CB 1.938 39.960 38.000 0.036 0.000 1.293 1057 I HN 0.504 nan 8.210 nan 0.000 0.458 1058 P HA 0.237 nan 4.420 nan 0.000 0.284 1058 P C -0.924 176.182 177.300 -0.324 0.000 1.253 1058 P CA -0.344 62.306 63.100 -0.750 0.000 0.800 1058 P CB 2.750 34.103 31.700 -0.577 0.000 0.961 1059 V N 4.663 124.421 119.914 -0.260 0.000 2.733 1059 V HA 0.367 4.487 4.120 -0.000 0.000 0.306 1059 V C -0.586 175.495 176.094 -0.021 0.000 1.084 1059 V CA -0.985 61.261 62.300 -0.089 0.000 0.905 1059 V CB 1.877 33.675 31.823 -0.041 0.000 1.010 1059 V HN 0.320 nan 8.190 nan 0.000 0.424 1060 I N 7.604 128.178 120.570 0.006 0.000 2.256 1060 I HA 0.146 4.316 4.170 -0.000 0.000 0.294 1060 I C 1.089 177.254 176.117 0.079 0.000 1.127 1060 I CA -0.409 60.915 61.300 0.041 0.000 1.247 1060 I CB 1.201 39.220 38.000 0.031 0.000 1.460 1060 I HN 0.602 nan 8.210 nan 0.000 0.511 1061 L N 5.046 126.342 121.223 0.120 0.000 2.103 1061 L HA -0.285 4.055 4.340 -0.000 0.000 0.215 1061 L C 2.595 179.560 176.870 0.158 0.000 1.080 1061 L CA 2.211 57.154 54.840 0.173 0.000 0.764 1061 L CB -0.721 41.471 42.059 0.220 0.000 0.890 1061 L HN 0.726 nan 8.230 nan 0.000 0.435 1062 A N -0.480 122.407 122.820 0.113 0.000 1.969 1062 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 1062 A C 1.771 179.404 177.584 0.082 0.000 1.169 1062 A CA 1.849 53.940 52.037 0.090 0.000 0.635 1062 A CB -0.288 18.749 19.000 0.062 0.000 0.810 1062 A HN 0.595 nan 8.150 nan 0.000 0.445 1063 K N -1.296 119.152 120.400 0.079 0.000 2.644 1063 K HA 0.320 4.640 4.320 -0.000 0.000 0.198 1063 K C -0.615 176.029 176.600 0.073 0.000 1.113 1063 K CA -0.039 56.289 56.287 0.069 0.000 1.073 1063 K CB 0.471 32.997 32.500 0.044 0.000 0.811 1063 K HN 0.338 nan 8.250 nan 0.000 0.508 1064 E N 0.571 120.826 120.200 0.092 0.000 3.191 1064 E HA 0.031 4.380 4.350 -0.000 0.000 0.192 1064 E C -0.226 176.422 176.600 0.080 0.000 0.972 1064 E CA -0.248 56.193 56.400 0.067 0.000 1.266 1064 E CB 0.201 29.917 29.700 0.027 0.000 1.076 1064 E HN 0.257 nan 8.360 nan 0.000 0.462 1065 Y N 2.262 122.573 120.300 0.018 0.000 2.114 1065 Y HA -0.320 4.230 4.550 -0.000 0.000 0.282 1065 Y C 1.649 177.546 175.900 -0.005 0.000 1.165 1065 Y CA 2.241 60.350 58.100 0.017 0.000 1.148 1065 Y CB 0.188 38.660 38.460 0.020 0.000 0.972 1065 Y HN 0.038 nan 8.280 nan 0.000 0.504 1066 D N 0.149 120.607 120.400 0.098 0.000 2.104 1066 D HA -0.193 4.446 4.640 -0.000 0.000 0.194 1066 D C 2.096 178.329 176.300 -0.111 0.000 0.994 1066 D CA 1.736 55.732 54.000 -0.006 0.000 0.830 1066 D CB -0.345 40.498 40.800 0.072 0.000 0.959 1066 D HN 0.247 nan 8.370 nan 0.000 0.452 1067 K N 0.818 121.176 120.400 -0.071 0.000 2.057 1067 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 1067 K C 1.865 178.378 176.600 -0.144 0.000 1.049 1067 K CA 1.468 57.705 56.287 -0.084 0.000 0.931 1067 K CB -0.437 32.033 32.500 -0.049 0.000 0.714 1067 K HN 0.046 nan 8.250 nan 0.000 0.440 1068 A N 0.460 123.172 122.820 -0.180 0.000 1.877 1068 A HA -0.119 4.200 4.320 -0.000 0.000 0.216 1068 A C 2.098 179.476 177.584 -0.343 0.000 1.186 1068 A CA 1.554 53.443 52.037 -0.248 0.000 0.620 1068 A CB -0.782 18.102 19.000 -0.192 0.000 0.822 1068 A HN 0.350 nan 8.150 nan 0.000 0.443 1069 L N 0.021 120.976 121.223 -0.447 0.000 2.012 1069 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 1069 L C 2.225 178.939 176.870 -0.259 0.000 1.073 1069 L CA 2.247 56.827 54.840 -0.434 0.000 0.748 1069 L CB -0.481 41.242 42.059 -0.559 0.000 0.891 1069 L HN 0.344 nan 8.230 nan 0.000 0.431 1070 K N -0.977 119.302 120.400 -0.201 0.000 2.148 1070 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 1070 K C 2.048 178.565 176.600 -0.138 0.000 1.050 1070 K CA 1.327 57.533 56.287 -0.136 0.000 0.942 1070 K CB -0.198 32.243 32.500 -0.097 0.000 0.724 1070 K HN 0.358 nan 8.250 nan 0.000 0.446 1071 L N 0.556 121.677 121.223 -0.171 0.000 2.007 1071 L HA -0.151 4.189 4.340 -0.000 0.000 0.205 1071 L C 2.387 179.140 176.870 -0.196 0.000 1.073 1071 L CA 0.988 55.726 54.840 -0.169 0.000 0.744 1071 L CB -0.662 41.280 42.059 -0.196 0.000 0.898 1071 L HN 0.041 nan 8.230 nan 0.000 0.435 1072 V N -3.232 116.515 119.914 -0.278 0.000 2.913 1072 V HA -0.123 3.997 4.120 -0.000 0.000 0.260 1072 V C 1.660 177.652 176.094 -0.170 0.000 1.098 1072 V CA 1.958 64.097 62.300 -0.269 0.000 1.121 1072 V CB -0.906 30.686 31.823 -0.386 0.000 0.714 1072 V HN 0.446 nan 8.190 nan 0.000 0.487 1073 N N 0.547 119.155 118.700 -0.153 0.000 2.353 1073 N HA -0.009 4.731 4.740 -0.000 0.000 0.185 1073 N C 0.842 176.302 175.510 -0.083 0.000 1.098 1073 N CA 0.502 53.487 53.050 -0.107 0.000 0.872 1073 N CB -0.046 38.379 38.487 -0.104 0.000 0.970 1073 N HN 0.554 nan 8.380 nan 0.000 0.467 1074 D N 0.455 120.802 120.400 -0.089 0.000 3.072 1074 D HA 0.141 4.781 4.640 -0.000 0.000 0.250 1074 D C -0.790 175.475 176.300 -0.059 0.000 1.304 1074 D CA -0.327 53.633 54.000 -0.066 0.000 0.861 1074 D CB -0.651 40.110 40.800 -0.064 0.000 1.062 1074 D HN 0.316 nan 8.370 nan 0.000 0.481 1075 C N -1.756 117.509 119.300 -0.058 0.000 3.318 1075 C HA 0.544 5.004 4.460 -0.000 0.000 0.322 1075 C C 0.804 175.768 174.990 -0.044 0.000 1.398 1075 C CA -0.767 58.219 59.018 -0.053 0.000 1.339 1075 C CB 1.588 29.287 27.740 -0.070 0.000 1.668 1075 C HN 0.070 nan 8.230 nan 0.000 0.462 1076 D N 0.320 120.696 120.400 -0.040 0.000 2.262 1076 D HA 0.255 4.895 4.640 -0.000 0.000 0.212 1076 D C 0.238 176.512 176.300 -0.044 0.000 0.964 1076 D CA 1.286 55.268 54.000 -0.030 0.000 0.875 1076 D CB 0.397 41.191 40.800 -0.010 0.000 0.996 1076 D HN 0.623 nan 8.370 nan 0.000 0.497 1077 I N 1.549 122.078 120.570 -0.069 0.000 2.466 1077 I HA 0.197 4.367 4.170 -0.000 0.000 0.289 1077 I C -1.137 174.935 176.117 -0.074 0.000 1.026 1077 I CA -0.953 60.301 61.300 -0.076 0.000 1.078 1077 I CB 2.723 40.653 38.000 -0.115 0.000 1.249 1077 I HN -0.201 nan 8.210 nan 0.000 0.429 1078 L N 8.506 129.714 121.223 -0.026 0.000 2.280 1078 L HA 0.578 4.918 4.340 -0.000 0.000 0.287 1078 L C -0.828 176.088 176.870 0.077 0.000 1.023 1078 L CA -0.008 54.840 54.840 0.013 0.000 0.819 1078 L CB 0.878 42.948 42.059 0.019 0.000 1.212 1078 L HN 0.394 nan 8.230 nan 0.000 0.420 1079 I N 6.704 127.341 120.570 0.110 0.000 2.330 1079 I HA 0.347 4.516 4.170 -0.000 0.000 0.289 1079 I C -0.416 175.865 176.117 0.273 0.000 1.001 1079 I CA -0.331 61.093 61.300 0.208 0.000 1.193 1079 I CB 1.172 39.297 38.000 0.209 0.000 1.345 1079 I HN 0.490 nan 8.210 nan 0.000 0.461 1080 I N 6.512 127.254 120.570 0.286 0.000 2.307 1080 I HA 0.218 4.388 4.170 -0.000 0.000 0.289 1080 I C 0.699 176.969 176.117 0.255 0.000 1.021 1080 I CA -0.213 61.249 61.300 0.272 0.000 1.224 1080 I CB 0.668 38.825 38.000 0.260 0.000 1.376 1080 I HN 0.574 nan 8.210 nan 0.000 0.470 1081 N N 3.636 122.469 118.700 0.221 0.000 2.299 1081 N HA 0.051 4.791 4.740 -0.000 0.000 0.187 1081 N C -0.074 175.533 175.510 0.161 0.000 1.099 1081 N CA 0.180 53.387 53.050 0.262 0.000 0.867 1081 N CB 0.604 39.251 38.487 0.267 0.000 0.974 1081 N HN 0.720 nan 8.380 nan 0.000 0.477 1082 S N -1.242 114.472 115.700 0.024 0.000 2.552 1082 S HA 0.547 5.017 4.470 -0.000 0.000 0.272 1082 S C -0.687 173.806 174.600 -0.179 0.000 1.150 1082 S CA -0.937 57.230 58.200 -0.054 0.000 0.849 1082 S CB 1.519 64.660 63.200 -0.098 0.000 1.113 1082 S HN -0.081 nan 8.310 nan 0.000 0.458 1083 V N -2.442 117.355 119.914 -0.195 0.000 3.103 1083 V HA 0.857 4.977 4.120 -0.000 0.000 0.318 1083 V C -3.142 172.748 176.094 -0.341 0.000 1.114 1083 V CA -3.061 59.006 62.300 -0.388 0.000 1.020 1083 V CB 0.819 32.479 31.823 -0.271 0.000 1.085 1083 V HN 0.732 nan 8.190 nan 0.000 0.446 1084 P HA 0.243 nan 4.420 nan 0.000 0.264 1084 P C -0.213 177.024 177.300 -0.104 0.000 1.183 1084 P CA 0.672 63.630 63.100 -0.237 0.000 0.763 1084 P CB 0.257 31.810 31.700 -0.245 0.000 0.807 1085 A N 2.803 125.606 122.820 -0.027 0.000 2.332 1085 A HA 0.200 4.520 4.320 -0.000 0.000 0.258 1085 A C 1.733 179.319 177.584 0.004 0.000 1.087 1085 A CA 0.146 52.190 52.037 0.011 0.000 0.802 1085 A CB -0.328 18.707 19.000 0.059 0.000 1.042 1085 A HN 0.531 nan 8.150 nan 0.000 0.489 1086 T N -0.047 114.515 114.554 0.012 0.000 3.051 1086 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 1086 T C 1.438 176.145 174.700 0.012 0.000 1.127 1086 T CA 1.797 63.905 62.100 0.013 0.000 1.107 1086 T CB -0.659 68.220 68.868 0.018 0.000 0.898 1086 T HN 0.989 nan 8.240 nan 0.000 0.517 1087 S N 0.720 116.425 115.700 0.008 0.000 2.671 1087 S HA 0.240 4.710 4.470 -0.000 0.000 0.220 1087 S C 0.602 175.198 174.600 -0.006 0.000 0.951 1087 S CA -0.212 57.987 58.200 -0.001 0.000 0.932 1087 S CB -0.616 62.577 63.200 -0.011 0.000 0.777 1087 S HN 0.451 nan 8.310 nan 0.000 0.508 1088 V N 0.252 120.167 119.914 0.002 0.000 2.863 1088 V HA 0.490 4.610 4.120 -0.000 0.000 0.307 1088 V C 0.050 176.151 176.094 0.013 0.000 1.061 1088 V CA -1.257 61.046 62.300 0.006 0.000 1.024 1088 V CB 0.913 32.743 31.823 0.012 0.000 1.049 1088 V HN 0.550 nan 8.190 nan 0.000 0.471 1089 Q N 1.061 120.871 119.800 0.016 0.000 2.354 1089 Q HA 0.284 4.624 4.340 -0.000 0.000 0.244 1089 Q C 0.374 176.392 176.000 0.030 0.000 0.969 1089 Q CA -0.539 55.276 55.803 0.019 0.000 0.885 1089 Q CB 1.003 29.752 28.738 0.017 0.000 1.241 1089 Q HN 0.710 nan 8.270 nan 0.000 0.461 1090 E N 1.516 121.732 120.200 0.028 0.000 2.169 1090 E HA -0.280 4.070 4.350 -0.000 0.000 0.202 1090 E C 1.881 178.507 176.600 0.044 0.000 1.016 1090 E CA 1.939 58.359 56.400 0.034 0.000 0.817 1090 E CB -0.517 29.198 29.700 0.025 0.000 0.736 1090 E HN 0.802 nan 8.360 nan 0.000 0.462 1091 A N 0.635 123.480 122.820 0.040 0.000 1.940 1091 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 1091 A C 2.449 180.080 177.584 0.080 0.000 1.176 1091 A CA 2.115 54.181 52.037 0.049 0.000 0.631 1091 A CB -0.783 18.241 19.000 0.041 0.000 0.814 1091 A HN 0.273 nan 8.150 nan 0.000 0.446 1092 T N -0.142 114.460 114.554 0.080 0.000 2.668 1092 T HA -0.119 4.231 4.350 -0.000 0.000 0.262 1092 T C 1.858 176.645 174.700 0.146 0.000 1.045 1092 T CA 1.563 63.727 62.100 0.106 0.000 1.152 1092 T CB -0.321 68.590 68.868 0.072 0.000 0.864 1092 T HN 0.394 nan 8.240 nan 0.000 0.419 1093 I N 1.710 122.350 120.570 0.117 0.000 2.353 1093 I HA -0.062 4.108 4.170 -0.000 0.000 0.248 1093 I C 1.832 178.066 176.117 0.195 0.000 1.119 1093 I CA 1.166 62.560 61.300 0.156 0.000 1.417 1093 I CB -0.622 37.436 38.000 0.098 0.000 1.078 1093 I HN 0.230 nan 8.210 nan 0.000 0.421 1094 N N 0.525 119.302 118.700 0.128 0.000 2.069 1094 N HA -0.205 4.535 4.740 -0.000 0.000 0.191 1094 N C 1.475 177.055 175.510 0.117 0.000 1.031 1094 N CA 1.451 54.559 53.050 0.096 0.000 0.852 1094 N CB -0.244 38.271 38.487 0.047 0.000 1.018 1094 N HN 0.390 nan 8.380 nan 0.000 0.423 1095 N N 0.340 119.132 118.700 0.153 0.000 2.244 1095 N HA -0.165 4.575 4.740 -0.000 0.000 0.183 1095 N C 1.476 177.192 175.510 0.344 0.000 1.016 1095 N CA 0.689 53.886 53.050 0.244 0.000 0.866 1095 N CB -0.333 38.338 38.487 0.308 0.000 0.980 1095 N HN 0.419 nan 8.380 nan 0.000 0.430 1096 Y N 2.035 122.454 120.300 0.198 0.000 2.200 1096 Y HA -0.133 4.417 4.550 0.000 0.000 0.290 1096 Y C 2.101 178.107 175.900 0.176 0.000 1.137 1096 Y CA 1.594 59.814 58.100 0.200 0.000 1.163 1096 Y CB 0.057 38.605 38.460 0.148 0.000 0.988 1096 Y HN -0.088 nan 8.280 nan 0.000 0.518 1097 K N 0.337 120.774 120.400 0.063 0.000 2.057 1097 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 1097 K C 2.189 178.777 176.600 -0.019 0.000 1.050 1097 K CA 1.615 57.884 56.287 -0.029 0.000 0.935 1097 K CB -0.206 32.338 32.500 0.073 0.000 0.715 1097 K HN 0.225 nan 8.250 nan 0.000 0.439 1098 K N 0.994 121.435 120.400 0.069 0.000 2.103 1098 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 1098 K C 2.078 178.804 176.600 0.210 0.000 1.048 1098 K CA 0.895 57.251 56.287 0.115 0.000 0.930 1098 K CB -0.022 32.507 32.500 0.049 0.000 0.716 1098 K HN -0.035 nan 8.250 nan 0.000 0.444 1099 L N 1.407 122.749 121.223 0.199 0.000 2.017 1099 L HA -0.149 4.190 4.340 -0.000 0.000 0.208 1099 L C 2.038 178.863 176.870 -0.074 0.000 1.073 1099 L CA 1.523 56.377 54.840 0.022 0.000 0.745 1099 L CB -0.434 41.592 42.059 -0.056 0.000 0.894 1099 L HN 0.217 nan 8.230 nan 0.000 0.432 1100 L N -0.945 120.186 121.223 -0.154 0.000 2.131 1100 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 1100 L C 2.051 178.886 176.870 -0.058 0.000 1.092 1100 L CA 1.376 56.135 54.840 -0.135 0.000 0.759 1100 L CB -0.587 41.359 42.059 -0.189 0.000 0.903 1100 L HN 0.298 nan 8.230 nan 0.000 0.435 1101 D N -0.164 120.219 120.400 -0.028 0.000 2.317 1101 D HA -0.101 4.539 4.640 -0.000 0.000 0.211 1101 D C 1.321 177.627 176.300 0.010 0.000 0.966 1101 D CA 0.771 54.769 54.000 -0.004 0.000 0.876 1101 D CB 0.101 40.906 40.800 0.008 0.000 0.927 1101 D HN 0.271 nan 8.370 nan 0.000 0.519 1102 N N -0.534 118.178 118.700 0.021 0.000 2.184 1102 N HA 0.193 4.933 4.740 -0.000 0.000 0.206 1102 N C 0.288 175.790 175.510 -0.013 0.000 1.151 1102 N CA -0.213 52.852 53.050 0.026 0.000 0.878 1102 N CB 0.659 39.202 38.487 0.093 0.000 1.014 1102 N HN 0.315 nan 8.380 nan 0.000 0.512 1103 I N -1.311 119.237 120.570 -0.037 0.000 2.882 1103 I HA 0.182 4.352 4.170 -0.000 0.000 0.286 1103 I C -0.024 176.072 176.117 -0.034 0.000 1.139 1103 I CA -0.754 60.515 61.300 -0.052 0.000 1.379 1103 I CB 0.728 38.690 38.000 -0.064 0.000 1.410 1103 I HN -0.195 nan 8.210 nan 0.000 0.594 1104 K N 4.136 124.516 120.400 -0.035 0.000 2.489 1104 K HA 0.097 4.416 4.320 -0.000 0.000 0.278 1104 K C -1.731 174.855 176.600 -0.022 0.000 1.000 1104 K CA -0.862 55.410 56.287 -0.025 0.000 1.012 1104 K CB 0.188 32.672 32.500 -0.026 0.000 0.903 1104 K HN 0.474 nan 8.250 nan 0.000 0.485 1105 P HA -0.181 nan 4.420 nan 0.000 0.222 1105 P C 0.957 178.247 177.300 -0.016 0.000 1.147 1105 P CA 1.121 64.212 63.100 -0.015 0.000 0.790 1105 P CB 0.210 31.902 31.700 -0.012 0.000 0.780 1106 S N -1.414 114.277 115.700 -0.016 0.000 2.481 1106 S HA -0.011 4.459 4.470 -0.000 0.000 0.231 1106 S C 0.930 175.519 174.600 -0.018 0.000 0.996 1106 S CA 0.172 58.363 58.200 -0.015 0.000 0.942 1106 S CB -1.087 62.105 63.200 -0.013 0.000 0.768 1106 S HN 0.047 nan 8.310 nan 0.000 0.520 1107 I N 2.544 123.101 120.570 -0.022 0.000 2.618 1107 I HA 0.119 4.289 4.170 -0.000 0.000 0.284 1107 I C 0.830 176.933 176.117 -0.023 0.000 1.146 1107 I CA -0.215 61.070 61.300 -0.025 0.000 1.425 1107 I CB 0.505 38.487 38.000 -0.031 0.000 1.383 1107 I HN 0.164 nan 8.210 nan 0.000 0.562 1108 R N 5.919 126.404 120.500 -0.025 0.000 2.248 1108 R HA 0.378 4.718 4.340 -0.000 0.000 0.328 1108 R C -1.286 175.007 176.300 -0.011 0.000 1.067 1108 R CA -0.399 55.687 56.100 -0.023 0.000 0.924 1108 R CB 0.671 30.951 30.300 -0.034 0.000 1.013 1108 R HN 0.443 nan 8.270 nan 0.000 0.454 1109 V N 6.125 126.037 119.914 -0.003 0.000 2.370 1109 V HA 0.264 4.384 4.120 -0.000 0.000 0.279 1109 V C -0.284 175.824 176.094 0.023 0.000 1.029 1109 V CA -0.638 61.673 62.300 0.020 0.000 0.870 1109 V CB 1.572 33.407 31.823 0.021 0.000 0.984 1109 V HN 0.499 nan 8.190 nan 0.000 0.451 1110 V N 6.060 126.010 119.914 0.060 0.000 2.417 1110 V HA 0.465 4.585 4.120 -0.000 0.000 0.291 1110 V C -0.164 175.988 176.094 0.097 0.000 1.024 1110 V CA -0.562 61.777 62.300 0.064 0.000 0.861 1110 V CB 1.936 33.846 31.823 0.146 0.000 0.985 1110 V HN 0.594 nan 8.190 nan 0.000 0.436 1111 V N 5.563 125.483 119.914 0.010 0.000 2.384 1111 V HA 0.450 4.570 4.120 -0.000 0.000 0.287 1111 V C -1.029 175.025 176.094 -0.067 0.000 1.020 1111 V CA -0.712 61.613 62.300 0.042 0.000 0.850 1111 V CB 1.469 33.308 31.823 0.026 0.000 0.987 1111 V HN 0.739 nan 8.190 nan 0.000 0.436 1112 Y N 2.976 123.251 120.300 -0.041 0.000 2.331 1112 Y HA 0.512 5.062 4.550 -0.000 0.000 0.338 1112 Y C 0.324 176.029 175.900 -0.325 0.000 0.976 1112 Y CA -0.437 57.458 58.100 -0.341 0.000 1.137 1112 Y CB 1.778 39.873 38.460 -0.608 0.000 1.172 1112 Y HN 0.571 nan 8.280 nan 0.000 0.478 1113 Q N 3.030 122.741 119.800 -0.149 0.000 2.390 1113 Q HA 0.197 4.537 4.340 -0.000 0.000 0.249 1113 Q C -0.046 175.913 176.000 -0.069 0.000 0.996 1113 Q CA 0.070 55.847 55.803 -0.043 0.000 0.899 1113 Q CB 0.198 28.947 28.738 0.018 0.000 1.216 1113 Q HN 0.696 nan 8.270 nan 0.000 0.465 1114 H N 1.396 120.523 119.070 0.094 0.000 2.544 1114 H HA 0.105 4.661 4.556 -0.000 0.000 0.269 1114 H C -0.410 174.917 175.328 -0.002 0.000 0.970 1114 H CA 0.212 56.352 56.048 0.153 0.000 1.219 1114 H CB 0.735 30.553 29.762 0.093 0.000 1.421 1114 H HN 0.551 nan 8.280 nan 0.000 0.555 1115 D N 0.343 120.757 120.400 0.023 0.000 2.382 1115 D HA 0.000 4.640 4.640 -0.000 0.000 0.240 1115 D C 1.223 177.364 176.300 -0.265 0.000 1.146 1115 D CA 0.304 54.223 54.000 -0.135 0.000 0.897 1115 D CB 1.148 41.928 40.800 -0.033 0.000 1.197 1115 D HN 0.327 nan 8.370 nan 0.000 0.432 1116 H N -0.132 118.828 119.070 -0.184 0.000 2.320 1116 H HA 0.063 4.619 4.556 -0.000 0.000 0.321 1116 H C 0.709 175.713 175.328 -0.540 0.000 1.141 1116 H CA 0.332 56.097 56.048 -0.470 0.000 1.670 1116 H CB -0.622 28.573 29.762 -0.944 0.000 1.515 1116 H HN 0.386 nan 8.280 nan 0.000 0.638 1117 S N 1.461 116.831 115.700 -0.550 0.000 2.585 1117 S HA 0.080 4.550 4.470 -0.000 0.000 0.273 1117 S C 1.533 176.123 174.600 -0.017 0.000 1.339 1117 S CA -0.332 57.728 58.200 -0.234 0.000 1.028 1117 S CB 1.246 64.318 63.200 -0.213 0.000 0.906 1117 S HN 0.076 nan 8.310 nan 0.000 0.528 1118 V N 1.987 121.945 119.914 0.074 0.000 2.720 1118 V HA -0.128 3.992 4.120 -0.000 0.000 0.256 1118 V C 2.067 178.187 176.094 0.043 0.000 1.082 1118 V CA 1.310 63.647 62.300 0.062 0.000 1.101 1118 V CB -1.244 30.622 31.823 0.071 0.000 0.693 1118 V HN 0.776 nan 8.190 nan 0.000 0.479 1119 L N -0.054 121.193 121.223 0.040 0.000 2.131 1119 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 1119 L C 2.581 179.476 176.870 0.042 0.000 1.092 1119 L CA 2.000 56.867 54.840 0.044 0.000 0.759 1119 L CB -0.956 41.135 42.059 0.054 0.000 0.903 1119 L HN 0.324 nan 8.230 nan 0.000 0.435 1120 S N -1.051 114.666 115.700 0.029 0.000 2.414 1120 S HA 0.021 4.491 4.470 -0.000 0.000 0.227 1120 S C 1.959 176.576 174.600 0.028 0.000 1.022 1120 S CA 0.538 58.758 58.200 0.033 0.000 0.958 1120 S CB -0.085 63.126 63.200 0.018 0.000 0.797 1120 S HN 0.337 nan 8.310 nan 0.000 0.493 1121 L N 0.853 122.091 121.223 0.024 0.000 2.109 1121 L HA 0.059 4.399 4.340 -0.000 0.000 0.207 1121 L C 2.515 179.402 176.870 0.029 0.000 1.086 1121 L CA 0.994 55.850 54.840 0.026 0.000 0.760 1121 L CB -0.391 41.687 42.059 0.031 0.000 0.910 1121 L HN 0.204 nan 8.230 nan 0.000 0.437 1122 R N 0.173 120.692 120.500 0.032 0.000 2.357 1122 R HA -0.062 4.278 4.340 -0.000 0.000 0.202 1122 R C 1.268 177.586 176.300 0.030 0.000 1.047 1122 R CA 0.469 56.588 56.100 0.031 0.000 1.034 1122 R CB -0.137 30.183 30.300 0.034 0.000 0.875 1122 R HN 0.372 nan 8.270 nan 0.000 0.473 1123 R N 0.094 120.613 120.500 0.031 0.000 2.507 1123 R HA 0.148 4.487 4.340 -0.000 0.000 0.298 1123 R C -0.432 175.881 176.300 0.022 0.000 0.999 1123 R CA -0.064 56.055 56.100 0.032 0.000 1.082 1123 R CB 0.270 30.596 30.300 0.043 0.000 1.246 1123 R HN 0.215 nan 8.270 nan 0.000 0.553 1124 N N 0.733 119.442 118.700 0.015 0.000 2.372 1124 N HA 0.377 5.117 4.740 -0.000 0.000 0.291 1124 N C -1.040 174.470 175.510 0.000 0.000 1.024 1124 N CA -0.495 52.554 53.050 -0.002 0.000 0.873 1124 N CB 1.872 40.360 38.487 0.001 0.000 1.206 1124 N HN -0.150 nan 8.380 nan 0.000 0.486 1125 L N 0.491 121.702 121.223 -0.020 0.000 2.322 1125 L HA 0.523 4.863 4.340 -0.000 0.000 0.269 1125 L C 1.312 178.194 176.870 0.020 0.000 1.012 1125 L CA -0.585 54.258 54.840 0.004 0.000 0.815 1125 L CB 1.538 43.599 42.059 0.004 0.000 1.295 1125 L HN 0.841 nan 8.230 nan 0.000 0.438 1126 G N 1.117 109.970 108.800 0.088 0.000 2.180 1126 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.263 1126 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.263 1126 G C 0.662 175.672 174.900 0.184 0.000 0.989 1126 G CA 0.693 45.904 45.100 0.186 0.000 0.692 1126 G HN 0.509 nan 8.290 nan 0.000 0.526 1127 L N 0.422 121.706 121.223 0.100 0.000 2.275 1127 L HA 0.184 4.524 4.340 -0.000 0.000 0.215 1127 L C 2.416 179.334 176.870 0.080 0.000 1.119 1127 L CA 2.774 57.666 54.840 0.086 0.000 0.790 1127 L CB -0.297 41.791 42.059 0.049 0.000 0.919 1127 L HN 0.446 nan 8.230 nan 0.000 0.443 1128 E N 0.035 120.279 120.200 0.074 0.000 2.015 1128 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 1128 E C 1.978 178.612 176.600 0.056 0.000 0.991 1128 E CA 1.749 58.182 56.400 0.054 0.000 0.802 1128 E CB -0.204 29.524 29.700 0.047 0.000 0.759 1128 E HN 0.607 nan 8.360 nan 0.000 0.447 1129 E N -0.305 119.939 120.200 0.073 0.000 2.338 1129 E HA -0.105 4.245 4.350 -0.000 0.000 0.197 1129 E C 1.898 178.531 176.600 0.056 0.000 1.007 1129 E CA 1.261 57.693 56.400 0.054 0.000 0.849 1129 E CB -0.526 29.203 29.700 0.047 0.000 0.774 1129 E HN 0.230 nan 8.360 nan 0.000 0.506 1130 T N 1.481 116.098 114.554 0.105 0.000 2.812 1130 T HA -0.050 4.300 4.350 -0.000 0.000 0.264 1130 T C 2.151 176.888 174.700 0.062 0.000 1.042 1130 T CA 1.210 63.380 62.100 0.116 0.000 1.140 1130 T CB -0.174 68.809 68.868 0.191 0.000 0.870 1130 T HN 0.019 nan 8.240 nan 0.000 0.445 1131 V N 1.669 121.611 119.914 0.046 0.000 2.427 1131 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 1131 V C 2.750 178.846 176.094 0.003 0.000 1.051 1131 V CA 1.374 63.683 62.300 0.015 0.000 1.048 1131 V CB -0.490 31.338 31.823 0.008 0.000 0.666 1131 V HN 0.306 nan 8.190 nan 0.000 0.456 1132 R N 0.179 120.685 120.500 0.010 0.000 2.081 1132 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 1132 R C 2.386 178.684 176.300 -0.004 0.000 1.131 1132 R CA 1.521 57.621 56.100 0.001 0.000 0.960 1132 R CB -0.633 29.671 30.300 0.005 0.000 0.856 1132 R HN 0.343 nan 8.270 nan 0.000 0.436 1133 R N 1.079 121.579 120.500 0.000 0.000 2.200 1133 R HA 0.134 4.474 4.340 -0.000 0.000 0.208 1133 R C 0.048 176.346 176.300 -0.005 0.000 1.033 1133 R CA 0.683 56.780 56.100 -0.005 0.000 1.000 1133 R CB -0.316 29.978 30.300 -0.010 0.000 0.906 1133 R HN 0.139 nan 8.270 nan 0.000 0.462 1134 A N 0.941 123.760 122.820 -0.001 0.000 2.540 1134 A HA 0.018 4.338 4.320 -0.000 0.000 0.239 1134 A C 0.081 177.649 177.584 -0.028 0.000 1.061 1134 A CA 0.390 52.421 52.037 -0.009 0.000 0.758 1134 A CB 0.133 19.123 19.000 -0.015 0.000 0.991 1134 A HN 0.433 nan 8.150 nan 0.000 0.502 1135 D N 0.573 120.955 120.400 -0.032 0.000 2.338 1135 D HA 0.178 4.818 4.640 -0.000 0.000 0.208 1135 D C -0.125 176.139 176.300 -0.060 0.000 0.997 1135 D CA 1.002 54.979 54.000 -0.039 0.000 0.880 1135 D CB 0.585 41.367 40.800 -0.031 0.000 0.980 1135 D HN 0.257 nan 8.370 nan 0.000 0.509 1136 V N 1.490 121.353 119.914 -0.086 0.000 2.808 1136 V HA 0.423 4.542 4.120 -0.000 0.000 0.308 1136 V C -0.598 175.351 176.094 -0.241 0.000 1.099 1136 V CA -0.725 61.475 62.300 -0.165 0.000 0.920 1136 V CB 3.092 34.803 31.823 -0.186 0.000 1.014 1136 V HN -0.112 nan 8.190 nan 0.000 0.425 1137 I N 3.873 124.234 120.570 -0.347 0.000 2.533 1137 I HA 0.569 4.739 4.170 -0.000 0.000 0.290 1137 I C -1.346 174.474 176.117 -0.495 0.000 1.056 1137 I CA -0.292 60.812 61.300 -0.327 0.000 1.057 1137 I CB 2.150 40.038 38.000 -0.186 0.000 1.240 1137 I HN 0.433 nan 8.210 nan 0.000 0.423 1138 F N 3.228 122.986 119.950 -0.320 0.000 2.561 1138 F HA 0.651 5.178 4.527 -0.000 0.000 0.321 1138 F C 0.272 176.024 175.800 -0.081 0.000 1.065 1138 F CA -0.480 57.362 58.000 -0.263 0.000 0.934 1138 F CB 2.345 40.874 39.000 -0.786 0.000 1.215 1138 F HN 0.438 nan 8.300 nan 0.000 0.471 1139 S N -0.275 115.682 115.700 0.429 0.000 2.579 1139 S HA 0.373 4.843 4.470 -0.000 0.000 0.272 1139 S C -0.141 174.571 174.600 0.188 0.000 1.141 1139 S CA -0.790 57.595 58.200 0.308 0.000 0.843 1139 S CB 1.466 64.752 63.200 0.142 0.000 1.122 1139 S HN 0.681 nan 8.310 nan 0.000 0.468 1140 H N 0.660 119.741 119.070 0.018 0.000 2.462 1140 H HA 0.300 4.856 4.556 -0.000 0.000 0.292 1140 H C 0.959 176.256 175.328 -0.053 0.000 1.049 1140 H CA 1.580 57.487 56.048 -0.234 0.000 1.334 1140 H CB 0.358 30.040 29.762 -0.134 0.000 1.404 1140 H HN 0.703 nan 8.280 nan 0.000 0.544 1172 Y N 2.521 122.674 120.300 -0.245 0.000 2.509 1172 Y HA 0.525 5.075 4.550 -0.000 0.000 0.341 1172 Y C 0.610 176.573 175.900 0.104 0.000 1.038 1172 Y CA -0.587 57.433 58.100 -0.133 0.000 1.089 1172 Y CB 1.591 39.863 38.460 -0.313 0.000 1.241 1172 Y HN 0.717 nan 8.280 nan 0.000 0.468 1173 N N 2.264 121.165 118.700 0.334 0.000 2.515 1173 N HA 0.355 5.095 4.740 -0.000 0.000 0.279 1173 N C -1.404 174.373 175.510 0.444 0.000 1.164 1173 N CA 0.030 53.259 53.050 0.298 0.000 0.982 1173 N CB 0.979 39.555 38.487 0.148 0.000 1.170 1173 N HN 0.613 nan 8.380 nan 0.000 0.474 1174 F N -0.712 119.304 119.950 0.110 0.000 2.668 1174 F HA 0.417 4.944 4.527 0.000 0.000 0.309 1174 F C -1.705 174.067 175.800 -0.047 0.000 1.117 1174 F CA -0.963 57.046 58.000 0.015 0.000 0.951 1174 F CB 1.104 40.076 39.000 -0.047 0.000 1.323 1174 F HN 0.312 nan 8.300 nan 0.000 0.451 1175 Q N 2.916 122.611 119.800 -0.176 0.000 2.337 1175 Q HA 0.421 4.761 4.340 -0.000 0.000 0.266 1175 Q C -2.742 173.207 176.000 -0.085 0.000 1.023 1175 Q CA -2.315 53.325 55.803 -0.272 0.000 0.829 1175 Q CB 2.662 31.254 28.738 -0.244 0.000 1.306 1175 Q HN 0.392 nan 8.270 nan 0.000 0.449 1176 P HA 0.123 nan 4.420 nan 0.000 0.277 1176 P C -2.670 174.553 177.300 -0.128 0.000 1.354 1176 P CA -1.241 61.982 63.100 0.205 0.000 0.891 1176 P CB 0.561 32.387 31.700 0.211 0.000 1.058 1177 P HA 0.406 nan 4.420 nan 0.000 0.281 1177 P C -0.521 176.809 177.300 0.050 0.000 1.264 1177 P CA -0.538 62.391 63.100 -0.284 0.000 0.824 1177 P CB 1.431 32.753 31.700 -0.631 0.000 1.092 1178 M N 0.593 120.268 119.600 0.125 0.000 2.593 1178 M HA 0.302 4.782 4.480 -0.000 0.000 0.290 1178 M C -1.038 175.397 176.300 0.225 0.000 1.244 1178 M CA -0.748 54.747 55.300 0.326 0.000 0.857 1178 M CB 2.300 35.157 32.600 0.429 0.000 1.738 1178 M HN 0.146 nan 8.290 nan 0.000 0.461 1179 D N 3.221 123.772 120.400 0.252 0.000 2.483 1179 D HA 0.228 4.868 4.640 -0.000 0.000 0.220 1179 D C 0.916 177.363 176.300 0.246 0.000 1.173 1179 D CA 0.121 54.257 54.000 0.227 0.000 0.964 1179 D CB 0.069 40.995 40.800 0.210 0.000 1.046 1179 D HN 0.612 nan 8.370 nan 0.000 0.517 1180 I N 2.360 123.082 120.570 0.252 0.000 2.226 1180 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 1180 I C 2.478 178.808 176.117 0.356 0.000 1.100 1180 I CA 0.791 62.264 61.300 0.288 0.000 1.374 1180 I CB -0.066 38.069 38.000 0.226 0.000 1.057 1180 I HN 0.337 nan 8.210 nan 0.000 0.413 1181 V N -0.657 119.451 119.914 0.323 0.000 2.407 1181 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 1181 V C 2.427 178.656 176.094 0.225 0.000 1.055 1181 V CA 1.960 64.435 62.300 0.291 0.000 1.049 1181 V CB -0.898 31.028 31.823 0.172 0.000 0.662 1181 V HN 0.427 nan 8.190 nan 0.000 0.455 1182 K N 0.132 120.655 120.400 0.205 0.000 2.097 1182 K HA -0.073 4.247 4.320 -0.000 0.000 0.205 1182 K C 2.015 178.747 176.600 0.220 0.000 1.050 1182 K CA 1.757 58.146 56.287 0.170 0.000 0.938 1182 K CB -0.126 32.467 32.500 0.154 0.000 0.718 1182 K HN 0.481 nan 8.250 nan 0.000 0.442 1183 V N 1.413 121.507 119.914 0.300 0.000 2.323 1183 V HA -0.199 3.921 4.120 -0.000 0.000 0.244 1183 V C 2.565 178.921 176.094 0.437 0.000 1.041 1183 V CA 2.004 64.547 62.300 0.404 0.000 1.025 1183 V CB -0.606 31.440 31.823 0.371 0.000 0.656 1183 V HN 0.424 nan 8.190 nan 0.000 0.451 1184 R N 0.357 121.103 120.500 0.410 0.000 2.094 1184 R HA -0.218 4.122 4.340 -0.000 0.000 0.239 1184 R C 2.556 178.997 176.300 0.236 0.000 1.137 1184 R CA 2.152 58.487 56.100 0.391 0.000 0.943 1184 R CB -0.709 29.702 30.300 0.185 0.000 0.850 1184 R HN 0.428 nan 8.270 nan 0.000 0.433 1185 S N -1.051 114.725 115.700 0.126 0.000 2.402 1185 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 1185 S C 1.470 176.087 174.600 0.027 0.000 1.030 1185 S CA 1.927 60.153 58.200 0.044 0.000 1.003 1185 S CB -0.210 63.006 63.200 0.027 0.000 0.813 1185 S HN 0.637 nan 8.310 nan 0.000 0.477 1186 T N -0.753 113.818 114.554 0.029 0.000 3.031 1186 T HA 0.170 4.520 4.350 -0.000 0.000 0.254 1186 T C 0.808 175.284 174.700 -0.373 0.000 1.060 1186 T CA 0.717 62.686 62.100 -0.218 0.000 1.135 1186 T CB -0.138 68.504 68.868 -0.376 0.000 0.896 1186 T HN 0.580 nan 8.240 nan 0.000 0.472 1187 Y N -1.539 118.841 120.300 0.134 0.000 2.423 1187 Y HA 0.345 4.894 4.550 -0.000 0.000 0.257 1187 Y C 0.660 176.643 175.900 0.138 0.000 1.087 1187 Y CA -1.849 56.319 58.100 0.113 0.000 1.258 1187 Y CB 0.293 38.805 38.460 0.087 0.000 1.237 1187 Y HN 0.174 nan 8.280 nan 0.000 0.517 1188 W N 5.141 126.521 121.300 0.132 0.000 2.520 1188 W HA 0.032 4.691 4.660 -0.000 0.000 0.337 1188 W C -0.430 176.105 176.519 0.026 0.000 1.406 1188 W CA 0.682 58.061 57.345 0.055 0.000 1.318 1188 W CB 0.459 29.908 29.460 -0.018 0.000 1.338 1188 W HN -0.080 nan 8.180 nan 0.000 0.570 1189 K N 4.396 124.788 120.400 -0.013 0.000 2.139 1189 K HA 0.145 4.465 4.320 -0.000 0.000 0.243 1189 K C -0.051 176.575 176.600 0.044 0.000 0.983 1189 K CA -0.712 55.593 56.287 0.030 0.000 0.890 1189 K CB 0.939 33.415 32.500 -0.040 0.000 1.090 1189 K HN 0.449 nan 8.250 nan 0.000 0.445 1190 D N 0.919 121.360 120.400 0.068 0.000 2.382 1190 D HA -0.016 4.624 4.640 -0.000 0.000 0.245 1190 D C 1.073 177.366 176.300 -0.012 0.000 1.120 1190 D CA -0.101 53.941 54.000 0.069 0.000 0.890 1190 D CB 1.314 42.143 40.800 0.048 0.000 1.201 1190 D HN 0.076 nan 8.370 nan 0.000 0.433 1191 V N 3.399 123.307 119.914 -0.010 0.000 2.527 1191 V HA -0.314 3.806 4.120 -0.000 0.000 0.255 1191 V C 2.495 178.500 176.094 -0.148 0.000 1.081 1191 V CA 2.249 64.481 62.300 -0.113 0.000 1.092 1191 V CB -0.942 30.831 31.823 -0.082 0.000 0.673 1191 V HN 0.704 nan 8.190 nan 0.000 0.470 1192 S N 0.022 115.674 115.700 -0.080 0.000 2.469 1192 S HA -0.187 4.282 4.470 -0.000 0.000 0.238 1192 S C 1.558 176.113 174.600 -0.075 0.000 0.998 1192 S CA 1.415 59.572 58.200 -0.072 0.000 0.957 1192 S CB -0.392 62.786 63.200 -0.037 0.000 0.764 1192 S HN 0.777 nan 8.310 nan 0.000 0.514 1193 E N 0.296 120.451 120.200 -0.075 0.000 2.479 1193 E HA 0.302 4.652 4.350 -0.000 0.000 0.193 1193 E C -0.246 176.299 176.600 -0.091 0.000 1.049 1193 E CA -0.111 56.251 56.400 -0.065 0.000 0.870 1193 E CB 0.176 29.852 29.700 -0.041 0.000 0.944 1193 E HN 0.601 nan 8.360 nan 0.000 0.492 1194 I N 2.098 122.580 120.570 -0.146 0.000 2.342 1194 I HA 0.072 4.241 4.170 -0.000 0.000 0.291 1194 I C 0.234 176.254 176.117 -0.162 0.000 1.010 1194 I CA -0.659 60.533 61.300 -0.180 0.000 1.308 1194 I CB 0.781 38.602 38.000 -0.299 0.000 1.400 1194 I HN -0.090 nan 8.210 nan 0.000 0.488 1195 N N 7.623 126.265 118.700 -0.097 0.000 2.482 1195 N HA 0.109 4.849 4.740 -0.000 0.000 0.242 1195 N C 0.747 176.251 175.510 -0.010 0.000 1.100 1195 N CA -0.291 52.733 53.050 -0.043 0.000 0.946 1195 N CB 0.861 39.345 38.487 -0.005 0.000 1.227 1195 N HN 0.541 nan 8.380 nan 0.000 0.508 1196 M N 1.714 121.306 119.600 -0.014 0.000 2.435 1196 M HA -0.101 4.379 4.480 -0.000 0.000 0.262 1196 M C 0.661 177.127 176.300 0.277 0.000 1.065 1196 M CA 0.778 56.149 55.300 0.118 0.000 1.076 1196 M CB -0.627 32.036 32.600 0.105 0.000 1.403 1196 M HN 0.407 nan 8.290 nan 0.000 0.454 1197 N N 0.469 119.276 118.700 0.178 0.000 2.467 1197 N HA 0.156 4.896 4.740 -0.000 0.000 0.184 1197 N C 0.424 176.064 175.510 0.217 0.000 1.106 1197 N CA 0.338 53.504 53.050 0.194 0.000 0.892 1197 N CB 0.645 39.209 38.487 0.128 0.000 0.969 1197 N HN 0.377 nan 8.380 nan 0.000 0.454 1198 I N 1.553 122.249 120.570 0.211 0.000 2.331 1198 I HA 0.123 4.292 4.170 -0.000 0.000 0.292 1198 I C -0.569 175.736 176.117 0.315 0.000 0.998 1198 I CA -0.471 60.948 61.300 0.199 0.000 1.267 1198 I CB 0.763 38.831 38.000 0.113 0.000 1.386 1198 I HN -0.176 nan 8.210 nan 0.000 0.476 1199 N N 6.025 124.915 118.700 0.317 0.000 2.479 1199 N HA 0.391 5.131 4.740 -0.000 0.000 0.261 1199 N C -0.746 174.943 175.510 0.299 0.000 0.979 1199 N CA -0.746 52.586 53.050 0.470 0.000 0.930 1199 N CB 1.493 40.241 38.487 0.435 0.000 1.172 1199 N HN 0.447 nan 8.380 nan 0.000 0.499 1200 R N 2.146 122.867 120.500 0.368 0.000 2.288 1200 R HA 0.292 4.632 4.340 -0.000 0.000 0.326 1200 R C -1.428 175.071 176.300 0.332 0.000 0.959 1200 R CA -0.716 55.526 56.100 0.238 0.000 0.834 1200 R CB 0.926 31.294 30.300 0.113 0.000 1.157 1200 R HN 0.620 nan 8.270 nan 0.000 0.470 1201 W N 7.709 129.031 121.300 0.036 0.000 2.417 1201 W HA 0.470 5.130 4.660 -0.000 0.000 0.317 1201 W C -0.773 175.722 176.519 -0.041 0.000 1.121 1201 W CA -0.652 56.710 57.345 0.028 0.000 1.208 1201 W CB 0.736 30.135 29.460 -0.101 0.000 1.253 1201 W HN 0.482 nan 8.180 nan 0.000 0.533 1202 I N 4.827 125.078 120.570 -0.532 0.000 2.608 1202 I HA 1.022 5.192 4.170 -0.000 0.000 0.295 1202 I C 0.145 175.545 176.117 -1.196 0.000 1.049 1202 I CA -0.758 60.206 61.300 -0.559 0.000 1.063 1202 I CB 1.803 39.591 38.000 -0.354 0.000 1.248 1202 I HN 0.725 nan 8.210 nan 0.000 0.424 1203 G N 4.642 112.972 108.800 -0.783 0.000 2.452 1203 G HA2 0.431 4.391 3.960 -0.000 0.000 0.224 1203 G HA3 0.431 4.391 3.960 -0.000 0.000 0.224 1203 G C -1.506 173.308 174.900 -0.143 0.000 1.208 1203 G CA -0.957 43.727 45.100 -0.693 0.000 0.946 1203 G HN 0.715 nan 8.290 nan 0.000 0.481 1204 R N -1.274 119.203 120.500 -0.039 0.000 2.869 1204 R HA 0.593 4.933 4.340 -0.000 0.000 0.263 1204 R C -0.832 175.475 176.300 0.010 0.000 1.066 1204 R CA -0.726 55.372 56.100 -0.003 0.000 0.960 1204 R CB 1.644 31.876 30.300 -0.113 0.000 1.221 1204 R HN 0.386 nan 8.270 nan 0.000 0.474 1205 T N 1.194 115.700 114.554 -0.081 0.000 4.309 1205 T HA 0.091 4.441 4.350 -0.000 0.000 0.242 1205 T C -0.271 174.383 174.700 -0.077 0.000 1.142 1205 T CA 0.475 62.424 62.100 -0.253 0.000 1.042 1205 T CB -0.326 68.441 68.868 -0.168 0.000 1.366 1205 T HN 0.319 nan 8.240 nan 0.000 0.942 1206 T N 0.935 115.514 114.554 0.041 0.000 2.928 1206 T HA 0.308 4.658 4.350 -0.000 0.000 0.296 1206 T C 1.640 176.424 174.700 0.140 0.000 1.000 1206 T CA -0.378 61.754 62.100 0.053 0.000 0.989 1206 T CB 1.284 70.021 68.868 -0.219 0.000 1.005 1206 T HN 0.421 nan 8.240 nan 0.000 0.442 1207 T N 1.866 116.555 114.554 0.226 0.000 2.714 1207 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 1207 T C 1.868 176.542 174.700 -0.043 0.000 1.036 1207 T CA 1.763 63.858 62.100 -0.010 0.000 1.148 1207 T CB -0.509 68.415 68.868 0.095 0.000 0.856 1207 T HN 0.870 nan 8.240 nan 0.000 0.462 1208 W N 1.148 122.434 121.300 -0.024 0.000 2.961 1208 W HA 0.284 4.944 4.660 -0.000 0.000 0.240 1208 W C 0.895 177.340 176.519 -0.123 0.000 1.305 1208 W CA -0.093 57.184 57.345 -0.114 0.000 1.465 1208 W CB -0.560 28.845 29.460 -0.092 0.000 1.135 1208 W HN 0.132 nan 8.180 nan 0.000 0.688 1209 K N 0.929 121.138 120.400 -0.319 0.000 2.459 1209 K HA 0.076 4.396 4.320 -0.000 0.000 0.193 1209 K C 1.599 178.248 176.600 0.082 0.000 1.030 1209 K CA 0.884 57.033 56.287 -0.229 0.000 1.026 1209 K CB -0.518 31.869 32.500 -0.189 0.000 0.809 1209 K HN 0.321 nan 8.250 nan 0.000 0.504 1210 G N 2.478 111.249 108.800 -0.048 0.000 2.198 1210 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.257 1210 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.257 1210 G C 0.572 175.443 174.900 -0.048 0.000 1.042 1210 G CA 0.497 45.535 45.100 -0.103 0.000 0.791 1210 G HN 0.419 nan 8.290 nan 0.000 0.502 1211 F N -2.011 117.819 119.950 -0.200 0.000 2.259 1211 F HA 0.153 4.680 4.527 -0.000 0.000 0.298 1211 F C 2.226 177.685 175.800 -0.567 0.000 1.088 1211 F CA 1.017 58.539 58.000 -0.797 0.000 1.358 1211 F CB -0.571 37.819 39.000 -1.017 0.000 1.040 1211 F HN 0.211 nan 8.300 nan 0.000 0.505 1212 Y N 0.854 120.788 120.300 -0.610 0.000 2.181 1212 Y HA -0.204 4.346 4.550 -0.000 0.000 0.288 1212 Y C 2.538 178.442 175.900 0.007 0.000 1.146 1212 Y CA 1.324 59.322 58.100 -0.170 0.000 1.164 1212 Y CB -0.442 37.845 38.460 -0.289 0.000 0.982 1212 Y HN 0.087 nan 8.280 nan 0.000 0.515 1213 Q N -0.815 119.056 119.800 0.117 0.000 2.167 1213 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 1213 Q C 2.218 178.346 176.000 0.213 0.000 0.970 1213 Q CA 1.495 57.444 55.803 0.243 0.000 0.855 1213 Q CB -0.330 28.575 28.738 0.278 0.000 0.911 1213 Q HN 0.429 nan 8.270 nan 0.000 0.438 1214 M N -0.925 118.643 119.600 -0.054 0.000 2.132 1214 M HA -0.060 4.420 4.480 -0.000 0.000 0.263 1214 M C 1.116 177.425 176.300 0.016 0.000 1.065 1214 M CA 1.401 56.619 55.300 -0.138 0.000 1.122 1214 M CB -0.247 31.951 32.600 -0.670 0.000 1.365 1214 M HN 0.140 nan 8.290 nan 0.000 0.411 1215 F N 0.529 120.484 119.950 0.009 0.000 2.095 1215 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 1215 F C 2.313 178.230 175.800 0.194 0.000 1.104 1215 F CA 2.025 60.078 58.000 0.089 0.000 1.232 1215 F CB -1.318 37.733 39.000 0.085 0.000 0.987 1215 F HN 0.263 nan 8.300 nan 0.000 0.475 1216 D N -0.598 120.059 120.400 0.428 0.000 2.092 1216 D HA -0.260 4.380 4.640 -0.000 0.000 0.193 1216 D C 2.173 178.725 176.300 0.421 0.000 0.994 1216 D CA 1.174 55.396 54.000 0.370 0.000 0.828 1216 D CB -0.465 40.555 40.800 0.367 0.000 0.963 1216 D HN 0.139 nan 8.370 nan 0.000 0.450 1217 F N 0.600 120.758 119.950 0.346 0.000 2.161 1217 F HA -0.165 4.362 4.527 -0.000 0.000 0.300 1217 F C 2.301 178.282 175.800 0.302 0.000 1.089 1217 F CA 1.719 59.952 58.000 0.388 0.000 1.282 1217 F CB -0.529 38.757 39.000 0.476 0.000 1.010 1217 F HN 0.212 nan 8.300 nan 0.000 0.485 1218 H N -0.309 118.857 119.070 0.160 0.000 2.363 1218 H HA -0.149 4.407 4.556 -0.000 0.000 0.301 1218 H C 2.280 177.593 175.328 -0.025 0.000 1.074 1218 H CA 1.683 57.739 56.048 0.013 0.000 1.354 1218 H CB -0.189 29.623 29.762 0.082 0.000 1.397 1218 H HN 0.463 nan 8.280 nan 0.000 0.516 1219 E N 0.743 120.942 120.200 -0.003 0.000 2.077 1219 E HA -0.153 4.196 4.350 -0.000 0.000 0.193 1219 E C 1.851 178.320 176.600 -0.219 0.000 0.989 1219 E CA 1.155 57.489 56.400 -0.111 0.000 0.800 1219 E CB 0.174 29.890 29.700 0.027 0.000 0.746 1219 E HN 0.447 nan 8.360 nan 0.000 0.452 1220 K N -1.441 118.841 120.400 -0.196 0.000 2.314 1220 K HA 0.048 4.368 4.320 -0.000 0.000 0.198 1220 K C 1.134 177.161 176.600 -0.955 0.000 1.045 1220 K CA 0.553 56.561 56.287 -0.465 0.000 0.988 1220 K CB 0.343 32.639 32.500 -0.339 0.000 0.783 1220 K HN 0.128 nan 8.250 nan 0.000 0.484 1221 F N -0.723 118.872 119.950 -0.591 0.000 2.421 1221 F HA 0.163 4.689 4.527 -0.000 0.000 0.270 1221 F C 1.666 176.867 175.800 -0.997 0.000 0.894 1221 F CA -0.300 57.099 58.000 -1.003 0.000 1.128 1221 F CB -0.131 38.042 39.000 -1.378 0.000 1.011 1221 F HN -0.240 nan 8.300 nan 0.000 0.788 1222 L N 0.565 121.438 121.223 -0.582 0.000 2.027 1222 L HA -0.164 4.175 4.340 -0.000 0.000 0.206 1222 L C 2.423 179.156 176.870 -0.229 0.000 1.074 1222 L CA 1.628 56.310 54.840 -0.264 0.000 0.745 1222 L CB -0.596 41.457 42.059 -0.009 0.000 0.898 1222 L HN 0.120 nan 8.230 nan 0.000 0.433 1223 K N 0.319 120.423 120.400 -0.494 0.000 2.026 1223 K HA -0.152 4.167 4.320 -0.000 0.000 0.208 1223 K C -0.379 176.079 176.600 -0.236 0.000 1.048 1223 K CA 1.421 57.443 56.287 -0.441 0.000 0.929 1223 K CB -0.728 31.347 32.500 -0.708 0.000 0.713 1223 K HN 0.155 nan 8.250 nan 0.000 0.439 1224 P HA -0.102 nan 4.420 nan 0.000 0.220 1224 P C 0.344 177.571 177.300 -0.121 0.000 1.148 1224 P CA 1.355 64.335 63.100 -0.201 0.000 0.803 1224 P CB 0.075 31.610 31.700 -0.276 0.000 0.782 1225 A N -1.020 121.735 122.820 -0.108 0.000 2.238 1225 A HA 0.434 4.754 4.320 -0.000 0.000 0.208 1225 A C 1.626 179.248 177.584 0.062 0.000 1.177 1225 A CA 0.701 52.763 52.037 0.042 0.000 0.804 1225 A CB -1.268 17.868 19.000 0.227 0.000 0.823 1225 A HN 0.238 nan 8.150 nan 0.000 0.482 1226 G N -0.612 108.200 108.800 0.019 0.000 2.143 1226 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.249 1226 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.249 1226 G C 0.173 175.121 174.900 0.080 0.000 0.981 1226 G CA 0.479 45.605 45.100 0.043 0.000 0.665 1226 G HN 0.434 nan 8.290 nan 0.000 0.528 1227 K N 0.342 120.803 120.400 0.102 0.000 2.098 1227 K HA 0.724 5.044 4.320 -0.000 0.000 0.244 1227 K C 0.242 176.960 176.600 0.197 0.000 1.014 1227 K CA -0.322 56.059 56.287 0.157 0.000 0.917 1227 K CB 1.279 33.899 32.500 0.201 0.000 1.072 1227 K HN 0.158 nan 8.250 nan 0.000 0.477 1228 S N 0.028 115.847 115.700 0.198 0.000 2.532 1228 S HA 0.517 4.987 4.470 -0.000 0.000 0.301 1228 S C -0.618 174.058 174.600 0.128 0.000 1.083 1228 S CA -0.678 57.629 58.200 0.179 0.000 1.025 1228 S CB 1.709 64.976 63.200 0.111 0.000 1.056 1228 S HN 0.442 nan 8.310 nan 0.000 0.494 1229 T N 1.898 116.428 114.554 -0.041 0.000 2.848 1229 T HA 0.590 4.940 4.350 -0.000 0.000 0.285 1229 T C -1.005 173.616 174.700 -0.132 0.000 0.995 1229 T CA -0.427 61.586 62.100 -0.145 0.000 0.970 1229 T CB 1.326 69.940 68.868 -0.424 0.000 0.976 1229 T HN 0.343 nan 8.240 nan 0.000 0.441 1230 V N 4.423 124.309 119.914 -0.047 0.000 2.604 1230 V HA 0.573 4.693 4.120 -0.000 0.000 0.305 1230 V C -0.576 175.527 176.094 0.015 0.000 1.043 1230 V CA -0.785 61.501 62.300 -0.024 0.000 0.888 1230 V CB 1.897 33.711 31.823 -0.014 0.000 0.995 1230 V HN 0.860 nan 8.190 nan 0.000 0.429 1231 M N 4.198 123.804 119.600 0.011 0.000 2.085 1231 M HA 0.489 4.969 4.480 -0.000 0.000 0.309 1231 M C -0.617 175.792 176.300 0.182 0.000 0.947 1231 M CA -0.267 55.100 55.300 0.112 0.000 0.918 1231 M CB 1.760 34.194 32.600 -0.277 0.000 1.504 1231 M HN 0.582 nan 8.290 nan 0.000 0.420 1232 E N 1.202 121.555 120.200 0.254 0.000 2.216 1232 E HA 0.588 4.938 4.350 -0.000 0.000 0.279 1232 E C 0.765 177.592 176.600 0.378 0.000 0.997 1232 E CA -0.160 56.352 56.400 0.187 0.000 0.817 1232 E CB 1.695 31.337 29.700 -0.096 0.000 1.096 1232 E HN 0.979 nan 8.360 nan 0.000 0.393 1233 G N 2.641 111.661 108.800 0.367 0.000 2.179 1233 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 1233 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 1233 G C 0.243 175.250 174.900 0.179 0.000 0.990 1233 G CA -0.554 44.707 45.100 0.268 0.000 0.646 1233 G HN 0.487 nan 8.290 nan 0.000 0.517 1234 L N 2.887 124.231 121.223 0.201 0.000 2.451 1234 L HA 0.224 4.564 4.340 -0.000 0.000 0.272 1234 L C 1.248 178.253 176.870 0.225 0.000 1.258 1234 L CA -0.368 54.566 54.840 0.157 0.000 1.132 1234 L CB 0.062 42.186 42.059 0.108 0.000 1.361 1234 L HN 0.486 nan 8.230 nan 0.000 0.438 1235 E N 5.310 125.588 120.200 0.131 0.000 2.398 1235 E HA 0.024 4.374 4.350 -0.000 0.000 0.263 1235 E C -0.197 176.437 176.600 0.057 0.000 1.046 1235 E CA -0.633 55.826 56.400 0.099 0.000 0.908 1235 E CB 0.639 30.363 29.700 0.041 0.000 0.963 1235 E HN 0.511 nan 8.360 nan 0.000 0.431 1236 R N 1.209 121.657 120.500 -0.087 0.000 2.590 1236 R HA 0.289 4.629 4.340 -0.000 0.000 0.274 1236 R C -0.193 176.033 176.300 -0.123 0.000 1.061 1236 R CA -0.138 55.735 56.100 -0.378 0.000 1.081 1236 R CB 0.223 30.263 30.300 -0.433 0.000 0.984 1236 R HN 0.725 nan 8.270 nan 0.000 0.448 1237 S N 0.815 116.489 115.700 -0.043 0.000 2.636 1237 S HA 0.258 4.728 4.470 -0.000 0.000 0.266 1237 S C -2.560 172.100 174.600 0.101 0.000 1.147 1237 S CA -1.192 57.036 58.200 0.046 0.000 0.815 1237 S CB 1.631 64.878 63.200 0.078 0.000 1.119 1237 S HN 0.401 nan 8.310 nan 0.000 0.470 1238 P HA 0.090 nan 4.420 nan 0.000 0.223 1238 P C 1.445 178.820 177.300 0.126 0.000 1.144 1238 P CA 1.595 64.749 63.100 0.089 0.000 0.783 1238 P CB -0.227 31.514 31.700 0.069 0.000 0.771 1239 A N -1.453 121.453 122.820 0.142 0.000 2.019 1239 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 1239 A C 1.743 179.378 177.584 0.084 0.000 1.164 1239 A CA 1.149 53.263 52.037 0.129 0.000 0.644 1239 A CB -1.647 17.404 19.000 0.085 0.000 0.805 1239 A HN 0.114 nan 8.150 nan 0.000 0.449 1240 F N -0.019 119.902 119.950 -0.049 0.000 2.451 1240 F HA -0.030 4.497 4.527 -0.000 0.000 0.299 1240 F C 1.949 177.757 175.800 0.013 0.000 1.101 1240 F CA 0.709 58.668 58.000 -0.069 0.000 1.436 1240 F CB -0.277 38.624 39.000 -0.164 0.000 1.074 1240 F HN 0.166 nan 8.300 nan 0.000 0.553 1241 I N -0.578 120.097 120.570 0.175 0.000 2.179 1241 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 1241 I C 2.623 178.806 176.117 0.109 0.000 1.088 1241 I CA 1.269 62.642 61.300 0.122 0.000 1.357 1241 I CB -0.758 37.297 38.000 0.091 0.000 1.051 1241 I HN 0.080 nan 8.210 nan 0.000 0.409 1242 A N 0.960 123.853 122.820 0.122 0.000 1.930 1242 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 1242 A C 2.296 179.972 177.584 0.153 0.000 1.175 1242 A CA 1.281 53.399 52.037 0.136 0.000 0.627 1242 A CB -0.742 18.373 19.000 0.191 0.000 0.815 1242 A HN 0.378 nan 8.150 nan 0.000 0.443 1243 I N -0.540 120.107 120.570 0.129 0.000 2.226 1243 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 1243 I C 2.474 178.637 176.117 0.076 0.000 1.100 1243 I CA 1.589 62.934 61.300 0.075 0.000 1.374 1243 I CB -0.305 37.549 38.000 -0.245 0.000 1.057 1243 I HN 0.317 nan 8.210 nan 0.000 0.413 1244 K N 0.771 121.240 120.400 0.115 0.000 2.025 1244 K HA -0.163 4.156 4.320 -0.000 0.000 0.207 1244 K C 1.975 178.605 176.600 0.050 0.000 1.049 1244 K CA 1.367 57.714 56.287 0.101 0.000 0.933 1244 K CB -0.172 32.395 32.500 0.112 0.000 0.714 1244 K HN 0.347 nan 8.250 nan 0.000 0.438 1245 E N 1.005 121.237 120.200 0.054 0.000 2.160 1245 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 1245 E C 1.567 178.179 176.600 0.020 0.000 0.991 1245 E CA 1.121 57.540 56.400 0.033 0.000 0.810 1245 E CB -0.027 29.694 29.700 0.036 0.000 0.742 1245 E HN 0.269 nan 8.360 nan 0.000 0.466 1246 K N -0.298 120.118 120.400 0.028 0.000 2.525 1246 K HA 0.025 4.345 4.320 -0.000 0.000 0.192 1246 K C 1.006 177.605 176.600 -0.001 0.000 1.029 1246 K CA 0.453 56.746 56.287 0.010 0.000 1.029 1246 K CB 0.314 32.827 32.500 0.022 0.000 0.814 1246 K HN 0.228 nan 8.250 nan 0.000 0.503 1247 G N 2.228 111.025 108.800 -0.004 0.000 2.198 1247 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 1247 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 1247 G C 0.044 174.918 174.900 -0.044 0.000 1.025 1247 G CA -0.146 44.940 45.100 -0.024 0.000 0.769 1247 G HN 0.273 nan 8.290 nan 0.000 0.507 1248 I N 1.488 122.021 120.570 -0.061 0.000 2.452 1248 I HA 0.225 4.395 4.170 -0.000 0.000 0.287 1248 I C -1.595 174.444 176.117 -0.130 0.000 1.079 1248 I CA -1.887 59.326 61.300 -0.145 0.000 1.387 1248 I CB 0.947 38.735 38.000 -0.354 0.000 1.404 1248 I HN -0.069 nan 8.210 nan 0.000 0.522 1249 P HA 0.262 nan 4.420 nan 0.000 0.275 1249 P C -1.454 175.866 177.300 0.033 0.000 1.228 1249 P CA 0.037 63.088 63.100 -0.081 0.000 0.786 1249 P CB 0.539 32.229 31.700 -0.016 0.000 0.927 1250 Y N -1.511 118.797 120.300 0.013 0.000 2.687 1250 Y HA 0.667 5.217 4.550 -0.000 0.000 0.338 1250 Y C -1.593 174.385 175.900 0.130 0.000 1.189 1250 Y CA -1.439 56.730 58.100 0.115 0.000 1.097 1250 Y CB 0.890 39.444 38.460 0.156 0.000 1.342 1250 Y HN 0.184 nan 8.280 nan 0.000 0.461 1251 E N 1.701 122.154 120.200 0.423 0.000 2.191 1251 E HA 0.388 4.738 4.350 -0.000 0.000 0.263 1251 E C -2.244 174.545 176.600 0.316 0.000 0.881 1251 E CA -0.732 55.809 56.400 0.236 0.000 0.757 1251 E CB 1.023 30.856 29.700 0.223 0.000 1.147 1251 E HN 0.607 nan 8.360 nan 0.000 0.414 1252 Y N 4.055 124.374 120.300 0.032 0.000 2.308 1252 Y HA 0.451 5.001 4.550 -0.000 0.000 0.329 1252 Y C -1.251 174.452 175.900 -0.329 0.000 1.111 1252 Y CA -0.178 57.933 58.100 0.019 0.000 1.179 1252 Y CB 0.654 39.172 38.460 0.097 0.000 1.201 1252 Y HN 0.500 nan 8.280 nan 0.000 0.483 1253 Y N 2.547 122.652 120.300 -0.324 0.000 2.457 1253 Y HA 0.554 5.104 4.550 -0.000 0.000 0.343 1253 Y C 0.440 176.162 175.900 -0.296 0.000 0.994 1253 Y CA -1.226 56.758 58.100 -0.193 0.000 1.031 1253 Y CB 1.816 40.215 38.460 -0.102 0.000 1.246 1253 Y HN 0.759 nan 8.280 nan 0.000 0.449 1254 G N 0.521 109.327 108.800 0.010 0.000 2.476 1254 G HA2 0.087 4.047 3.960 -0.000 0.000 0.286 1254 G HA3 0.087 4.047 3.960 -0.000 0.000 0.286 1254 G C 0.436 175.346 174.900 0.017 0.000 1.177 1254 G CA -0.626 44.467 45.100 -0.012 0.000 0.870 1254 G HN 0.762 nan 8.290 nan 0.000 0.528 1255 N N -0.373 118.329 118.700 0.004 0.000 2.651 1255 N HA -0.088 4.652 4.740 -0.000 0.000 0.193 1255 N C 2.094 177.616 175.510 0.020 0.000 1.149 1255 N CA 0.681 53.739 53.050 0.014 0.000 0.933 1255 N CB 0.065 38.560 38.487 0.013 0.000 0.974 1255 N HN 0.562 nan 8.380 nan 0.000 0.448 1256 R N -0.219 120.299 120.500 0.029 0.000 2.090 1256 R HA 0.037 4.377 4.340 -0.000 0.000 0.219 1256 R C 0.592 176.916 176.300 0.040 0.000 1.100 1256 R CA 1.013 57.131 56.100 0.031 0.000 0.991 1256 R CB -0.069 30.250 30.300 0.031 0.000 0.893 1256 R HN 0.370 nan 8.270 nan 0.000 0.443 1257 E N 1.958 122.198 120.200 0.067 0.000 2.542 1257 E HA 0.016 4.366 4.350 -0.000 0.000 0.224 1257 E C 1.000 177.645 176.600 0.075 0.000 1.110 1257 E CA -0.124 56.328 56.400 0.087 0.000 1.350 1257 E CB -0.025 29.754 29.700 0.131 0.000 1.302 1257 E HN 0.332 nan 8.360 nan 0.000 0.435 1258 I N 0.776 121.354 120.570 0.012 0.000 2.657 1258 I HA -0.244 3.926 4.170 -0.000 0.000 0.261 1258 I C 0.737 176.789 176.117 -0.108 0.000 1.212 1258 I CA 1.176 62.432 61.300 -0.073 0.000 1.453 1258 I CB 0.236 38.204 38.000 -0.054 0.000 1.092 1258 I HN 0.008 nan 8.210 nan 0.000 0.452 1259 D N 1.005 121.379 120.400 -0.043 0.000 2.269 1259 D HA -0.135 4.505 4.640 -0.000 0.000 0.208 1259 D C 1.471 177.750 176.300 -0.036 0.000 0.963 1259 D CA 0.911 54.890 54.000 -0.036 0.000 0.864 1259 D CB -0.013 40.785 40.800 -0.005 0.000 0.936 1259 D HN 0.469 nan 8.370 nan 0.000 0.505 1260 K N 0.087 120.481 120.400 -0.009 0.000 2.417 1260 K HA 0.158 4.478 4.320 -0.000 0.000 0.196 1260 K C 0.773 177.351 176.600 -0.036 0.000 1.023 1260 K CA -0.268 56.056 56.287 0.062 0.000 1.122 1260 K CB 0.358 32.983 32.500 0.208 0.000 0.850 1260 K HN 0.077 nan 8.250 nan 0.000 0.521 1261 M N 2.103 121.478 119.600 -0.374 0.000 2.227 1261 M HA -0.002 4.478 4.480 -0.000 0.000 0.349 1261 M C -0.365 175.802 176.300 -0.222 0.000 1.443 1261 M CA 0.303 55.199 55.300 -0.673 0.000 1.110 1261 M CB 0.248 32.449 32.600 -0.664 0.000 1.773 1261 M HN 0.059 nan 8.290 nan 0.000 0.463 1262 N N 5.000 123.652 118.700 -0.080 0.000 2.415 1262 N HA 0.201 4.941 4.740 -0.000 0.000 0.246 1262 N C 0.041 175.555 175.510 0.007 0.000 1.078 1262 N CA -0.366 52.692 53.050 0.014 0.000 0.942 1262 N CB 0.548 39.089 38.487 0.089 0.000 1.140 1262 N HN 0.769 nan 8.380 nan 0.000 0.501 1263 L N 2.445 123.665 121.223 -0.004 0.000 2.653 1263 L HA 0.307 4.647 4.340 -0.000 0.000 0.231 1263 L C 0.999 177.892 176.870 0.039 0.000 1.153 1263 L CA -0.357 54.489 54.840 0.011 0.000 0.933 1263 L CB -0.241 41.814 42.059 -0.006 0.000 1.175 1263 L HN 0.474 nan 8.230 nan 0.000 0.473 1264 A N 1.131 123.977 122.820 0.044 0.000 2.296 1264 A HA 0.504 4.824 4.320 -0.000 0.000 0.264 1264 A C -2.091 175.534 177.584 0.068 0.000 1.097 1264 A CA -1.010 51.057 52.037 0.050 0.000 0.811 1264 A CB -0.256 18.770 19.000 0.042 0.000 1.072 1264 A HN -0.057 nan 8.150 nan 0.000 0.495 1265 P HA 0.040 nan 4.420 nan 0.000 0.274 1265 P C -0.081 177.258 177.300 0.065 0.000 1.260 1265 P CA -0.234 62.908 63.100 0.071 0.000 0.793 1265 P CB 0.257 31.990 31.700 0.054 0.000 1.048 1266 N N -1.322 117.413 118.700 0.059 0.000 2.747 1266 N HA -0.153 4.586 4.740 -0.000 0.000 0.249 1266 N C -0.654 174.900 175.510 0.074 0.000 1.107 1266 N CA 0.207 53.283 53.050 0.043 0.000 0.707 1266 N CB -0.380 38.122 38.487 0.025 0.000 1.054 1266 N HN 0.402 nan 8.380 nan 0.000 0.555 1267 Q N -0.404 119.474 119.800 0.130 0.000 2.351 1267 Q HA 0.577 4.916 4.340 -0.000 0.000 0.273 1267 Q C -2.351 173.799 176.000 0.249 0.000 1.077 1267 Q CA -1.460 54.433 55.803 0.151 0.000 0.843 1267 Q CB 1.476 30.294 28.738 0.134 0.000 1.367 1267 Q HN 0.132 nan 8.270 nan 0.000 0.449 1268 P HA 0.169 nan 4.420 nan 0.000 0.277 1268 P C -0.973 176.440 177.300 0.187 0.000 1.276 1268 P CA -0.352 62.904 63.100 0.260 0.000 0.788 1268 P CB 0.350 32.155 31.700 0.174 0.000 1.114 1269 A N 0.990 123.895 122.820 0.143 0.000 2.511 1269 A HA 0.108 4.428 4.320 -0.000 0.000 0.242 1269 A C 0.013 177.698 177.584 0.168 0.000 1.069 1269 A CA 0.115 52.140 52.037 -0.021 0.000 0.763 1269 A CB -0.496 18.589 19.000 0.143 0.000 1.001 1269 A HN 0.367 nan 8.150 nan 0.000 0.498 1270 Q N 1.934 121.792 119.800 0.096 0.000 2.331 1270 Q HA 0.428 4.767 4.340 -0.000 0.000 0.257 1270 Q C -0.743 175.358 176.000 0.168 0.000 0.957 1270 Q CA 0.193 56.118 55.803 0.205 0.000 0.923 1270 Q CB 1.309 30.082 28.738 0.059 0.000 1.212 1270 Q HN 0.657 nan 8.270 nan 0.000 0.443 1271 I N 3.044 123.785 120.570 0.285 0.000 2.359 1271 I HA 0.259 4.429 4.170 -0.000 0.000 0.294 1271 I C -0.349 175.777 176.117 0.015 0.000 0.987 1271 I CA -1.003 60.382 61.300 0.142 0.000 1.225 1271 I CB 1.234 39.361 38.000 0.210 0.000 1.366 1271 I HN 0.294 nan 8.210 nan 0.000 0.466 1272 L N 7.221 128.421 121.223 -0.039 0.000 2.305 1272 L HA 0.407 4.747 4.340 -0.000 0.000 0.284 1272 L C -0.121 176.675 176.870 -0.123 0.000 1.013 1272 L CA -0.370 54.419 54.840 -0.085 0.000 0.819 1272 L CB 0.847 42.905 42.059 -0.002 0.000 1.227 1272 L HN 0.600 nan 8.230 nan 0.000 0.417 1276 I N 4.114 124.757 120.570 0.121 0.000 2.352 1276 I HA 0.087 4.257 4.170 -0.000 0.000 0.290 1276 I C 1.419 177.602 176.117 0.110 0.000 1.036 1276 I CA 0.038 61.352 61.300 0.022 0.000 1.336 1276 I CB 1.038 39.053 38.000 0.025 0.000 1.407 1276 I HN 1.025 nan 8.210 nan 0.000 0.497 1277 N N 4.247 122.932 118.700 -0.025 0.000 2.037 1277 N HA -0.258 4.482 4.740 -0.000 0.000 0.196 1277 N C 1.763 177.290 175.510 0.028 0.000 1.034 1277 N CA 2.453 55.521 53.050 0.031 0.000 0.861 1277 N CB 0.359 38.761 38.487 -0.141 0.000 1.039 1277 N HN 0.731 nan 8.380 nan 0.000 0.427 1278 S N 0.011 115.741 115.700 0.050 0.000 2.383 1278 S HA -0.118 4.352 4.470 -0.000 0.000 0.229 1278 S C 1.750 176.387 174.600 0.063 0.000 1.030 1278 S CA 1.083 59.346 58.200 0.105 0.000 1.002 1278 S CB -0.417 62.897 63.200 0.191 0.000 0.829 1278 S HN 0.415 nan 8.310 nan 0.000 0.467 1279 E N 0.476 120.707 120.200 0.052 0.000 2.072 1279 E HA -0.054 4.295 4.350 -0.000 0.000 0.191 1279 E C 2.188 178.763 176.600 -0.043 0.000 0.985 1279 E CA 1.114 57.533 56.400 0.032 0.000 0.801 1279 E CB -0.234 29.489 29.700 0.038 0.000 0.750 1279 E HN 0.475 nan 8.360 nan 0.000 0.452 1280 M N 1.009 120.557 119.600 -0.088 0.000 2.132 1280 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 1280 M C 2.003 178.154 176.300 -0.249 0.000 1.065 1280 M CA 1.457 56.611 55.300 -0.243 0.000 1.122 1280 M CB -0.368 31.916 32.600 -0.526 0.000 1.365 1280 M HN 0.132 nan 8.290 nan 0.000 0.411 1281 L N 0.212 121.252 121.223 -0.304 0.000 2.079 1281 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 1281 L C 2.453 179.073 176.870 -0.415 0.000 1.081 1281 L CA 1.579 56.119 54.840 -0.501 0.000 0.752 1281 L CB -0.842 40.614 42.059 -1.005 0.000 0.896 1281 L HN 0.312 nan 8.230 nan 0.000 0.433 1282 E N 0.689 120.763 120.200 -0.209 0.000 2.047 1282 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 1282 E C 2.269 178.865 176.600 -0.006 0.000 0.987 1282 E CA 1.339 57.781 56.400 0.070 0.000 0.799 1282 E CB 0.014 29.814 29.700 0.167 0.000 0.752 1282 E HN 0.219 nan 8.360 nan 0.000 0.449 1283 R N -0.639 119.827 120.500 -0.057 0.000 2.073 1283 R HA -0.110 4.229 4.340 -0.000 0.000 0.234 1283 R C 2.370 178.627 176.300 -0.073 0.000 1.134 1283 R CA 1.699 57.762 56.100 -0.062 0.000 0.952 1283 R CB -0.382 29.867 30.300 -0.085 0.000 0.850 1283 R HN 0.265 nan 8.270 nan 0.000 0.433 1284 M N 0.979 120.513 119.600 -0.109 0.000 2.159 1284 M HA -0.128 4.351 4.480 -0.000 0.000 0.263 1284 M C 2.101 178.341 176.300 -0.100 0.000 1.063 1284 M CA 1.809 57.048 55.300 -0.102 0.000 1.110 1284 M CB -0.186 32.335 32.600 -0.132 0.000 1.374 1284 M HN 0.095 nan 8.290 nan 0.000 0.411 1285 S N -0.983 114.661 115.700 -0.094 0.000 2.469 1285 S HA -0.123 4.347 4.470 -0.000 0.000 0.238 1285 S C 1.569 176.106 174.600 -0.106 0.000 0.998 1285 S CA 1.098 59.241 58.200 -0.095 0.000 0.957 1285 S CB -0.570 62.638 63.200 0.012 0.000 0.764 1285 S HN 0.642 nan 8.310 nan 0.000 0.514 1286 K N 0.860 121.215 120.400 -0.075 0.000 2.478 1286 K HA 0.326 4.646 4.320 -0.000 0.000 0.205 1286 K C -0.603 175.956 176.600 -0.069 0.000 1.033 1286 K CA -0.151 56.092 56.287 -0.073 0.000 1.091 1286 K CB 0.957 33.432 32.500 -0.042 0.000 0.844 1286 K HN 0.174 nan 8.250 nan 0.000 0.507 1287 S N -0.146 115.513 115.700 -0.068 0.000 2.475 1287 S HA 0.242 4.712 4.470 -0.000 0.000 0.298 1287 S C 1.199 175.757 174.600 -0.071 0.000 1.119 1287 S CA -0.764 57.420 58.200 -0.028 0.000 1.085 1287 S CB 1.723 64.932 63.200 0.016 0.000 1.028 1287 S HN 0.402 nan 8.310 nan 0.000 0.489 1288 G N 1.899 110.667 108.800 -0.052 0.000 2.446 1288 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.217 1288 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.217 1288 G C -0.121 174.323 174.900 -0.759 0.000 1.168 1288 G CA 1.064 45.987 45.100 -0.295 0.000 0.771 1288 G HN 0.548 nan 8.290 nan 0.000 0.551 1289 F N -0.567 119.486 119.950 0.172 0.000 2.561 1289 F HA 0.620 5.147 4.527 -0.000 0.000 0.313 1289 F C 0.387 176.254 175.800 0.113 0.000 1.126 1289 F CA -1.088 56.959 58.000 0.078 0.000 0.918 1289 F CB 2.055 41.098 39.000 0.072 0.000 1.199 1289 F HN 0.149 nan 8.300 nan 0.000 0.444 1290 G N 1.637 110.478 108.800 0.068 0.000 2.379 1290 G HA2 0.565 4.525 3.960 -0.000 0.000 0.327 1290 G HA3 0.565 4.525 3.960 -0.000 0.000 0.327 1290 G C -1.956 172.983 174.900 0.065 0.000 1.145 1290 G CA -0.483 44.695 45.100 0.129 0.000 0.905 1290 G HN 0.541 nan 8.290 nan 0.000 0.466 1291 Y N 0.732 121.113 120.300 0.134 0.000 2.364 1291 Y HA 0.491 5.041 4.550 -0.000 0.000 0.340 1291 Y C 0.296 176.156 175.900 -0.067 0.000 0.975 1291 Y CA -0.852 57.334 58.100 0.143 0.000 1.089 1291 Y CB 2.650 41.274 38.460 0.274 0.000 1.192 1291 Y HN 0.296 nan 8.280 nan 0.000 0.454 1292 Q N 4.744 124.627 119.800 0.139 0.000 2.533 1292 Q HA 0.327 4.667 4.340 -0.000 0.000 0.251 1292 Q C -1.153 174.857 176.000 0.016 0.000 0.966 1292 Q CA -0.148 55.555 55.803 -0.166 0.000 0.714 1292 Q CB 1.254 29.823 28.738 -0.280 0.000 1.284 1292 Q HN 0.953 nan 8.270 nan 0.000 0.478 1293 L N 1.373 122.604 121.223 0.013 0.000 2.912 1293 L HA 0.296 4.636 4.340 -0.000 0.000 0.240 1293 L C 0.484 177.360 176.870 0.009 0.000 1.262 1293 L CA -0.244 54.701 54.840 0.174 0.000 1.058 1293 L CB 0.503 42.673 42.059 0.184 0.000 1.383 1293 L HN 0.256 nan 8.230 nan 0.000 0.512 1294 S N 1.891 117.573 115.700 -0.030 0.000 2.537 1294 S HA 0.093 4.563 4.470 -0.000 0.000 0.286 1294 S C 0.425 175.015 174.600 -0.015 0.000 1.299 1294 S CA 0.014 58.220 58.200 0.010 0.000 1.067 1294 S CB 0.246 63.499 63.200 0.088 0.000 0.864 1294 S HN 0.369 nan 8.310 nan 0.000 0.494 1295 K N 3.035 123.341 120.400 -0.158 0.000 2.478 1295 K HA 0.380 4.700 4.320 -0.000 0.000 0.236 1295 K C -1.255 175.312 176.600 -0.054 0.000 1.021 1295 K CA -0.770 55.316 56.287 -0.335 0.000 1.010 1295 K CB 0.435 32.429 32.500 -0.843 0.000 1.331 1295 K HN 0.232 nan 8.250 nan 0.000 0.470 1296 L N 2.740 123.963 121.223 0.001 0.000 2.264 1296 L HA 0.259 4.599 4.340 -0.000 0.000 0.289 1296 L C 0.510 177.380 176.870 0.000 0.000 1.044 1296 L CA -0.314 54.481 54.840 -0.074 0.000 0.807 1296 L CB 0.477 42.452 42.059 -0.141 0.000 1.192 1296 L HN 0.808 nan 8.230 nan 0.000 0.425 1297 N N 2.111 120.821 118.700 0.016 0.000 2.353 1297 N HA -0.109 4.630 4.740 -0.000 0.000 0.248 1297 N C 1.089 176.540 175.510 -0.098 0.000 1.240 1297 N CA 0.071 53.094 53.050 -0.044 0.000 0.862 1297 N CB 0.867 39.276 38.487 -0.130 0.000 1.086 1297 N HN 0.646 nan 8.380 nan 0.000 0.453 1298 Q N 2.394 122.146 119.800 -0.079 0.000 2.389 1298 Q HA -0.248 4.092 4.340 -0.000 0.000 0.213 1298 Q C 1.561 177.481 176.000 -0.134 0.000 0.989 1298 Q CA 1.630 57.386 55.803 -0.077 0.000 0.891 1298 Q CB 0.105 28.810 28.738 -0.055 0.000 0.923 1298 Q HN 0.690 nan 8.270 nan 0.000 0.455 1299 K N -1.322 118.916 120.400 -0.269 0.000 2.155 1299 K HA -0.157 4.163 4.320 -0.000 0.000 0.203 1299 K C 0.877 177.283 176.600 -0.324 0.000 1.052 1299 K CA 1.381 57.452 56.287 -0.359 0.000 0.948 1299 K CB -0.194 31.965 32.500 -0.567 0.000 0.728 1299 K HN 0.230 nan 8.250 nan 0.000 0.448 1300 Y N 1.397 121.645 120.300 -0.086 0.000 2.500 1300 Y HA 0.309 4.859 4.550 -0.000 0.000 0.270 1300 Y C 0.629 176.471 175.900 -0.097 0.000 1.134 1300 Y CA -0.381 57.663 58.100 -0.093 0.000 1.293 1300 Y CB 0.233 38.552 38.460 -0.235 0.000 1.063 1300 Y HN -0.115 nan 8.280 nan 0.000 0.534 1301 L N 0.775 122.007 121.223 0.015 0.000 2.275 1301 L HA 0.296 4.636 4.340 -0.000 0.000 0.288 1301 L C 0.712 177.587 176.870 0.010 0.000 1.046 1301 L CA 0.118 54.958 54.840 0.001 0.000 0.805 1301 L CB 1.838 43.891 42.059 -0.010 0.000 1.193 1301 L HN 0.151 nan 8.230 nan 0.000 0.426 1302 Q N 1.891 121.706 119.800 0.024 0.000 2.245 1302 Q HA 0.257 4.597 4.340 -0.000 0.000 0.172 1302 Q C 1.075 177.104 176.000 0.048 0.000 0.604 1302 Q CA -0.090 55.730 55.803 0.028 0.000 0.812 1302 Q CB 0.783 29.538 28.738 0.028 0.000 1.149 1302 Q HN 0.587 nan 8.270 nan 0.000 0.467 1303 R N -0.730 119.798 120.500 0.047 0.000 2.568 1303 R HA 0.357 4.697 4.340 -0.000 0.000 0.254 1303 R C -0.286 176.082 176.300 0.113 0.000 0.925 1303 R CA 0.043 56.204 56.100 0.102 0.000 1.025 1303 R CB 1.393 31.688 30.300 -0.007 0.000 1.428 1303 R HN -0.034 nan 8.270 nan 0.000 0.573 1304 S N 2.292 118.006 115.700 0.023 0.000 2.443 1304 S HA 0.227 4.697 4.470 -0.000 0.000 0.284 1304 S C 0.109 174.707 174.600 -0.003 0.000 1.206 1304 S CA 0.045 58.240 58.200 -0.008 0.000 1.074 1304 S CB 0.370 63.562 63.200 -0.012 0.000 0.963 1304 S HN 0.133 nan 8.310 nan 0.000 0.501 1305 L N 2.871 124.111 121.223 0.028 0.000 2.431 1305 L HA 0.444 4.783 4.340 -0.000 0.000 0.260 1305 L C 0.781 177.684 176.870 0.055 0.000 1.098 1305 L CA -0.728 54.095 54.840 -0.028 0.000 0.800 1305 L CB 0.763 42.759 42.059 -0.105 0.000 1.210 1305 L HN 0.539 nan 8.230 nan 0.000 0.465 1306 E N -0.776 119.615 120.200 0.319 0.000 2.254 1306 E HA 0.127 4.477 4.350 -0.000 0.000 0.261 1306 E C -0.046 176.557 176.600 0.004 0.000 1.051 1306 E CA -0.458 55.995 56.400 0.088 0.000 0.902 1306 E CB 0.932 30.670 29.700 0.062 0.000 1.168 1306 E HN 0.351 nan 8.360 nan 0.000 0.423 1307 Y N 0.557 120.922 120.300 0.108 0.000 2.207 1307 Y HA -0.249 4.301 4.550 -0.000 0.000 0.287 1307 Y C 2.742 178.686 175.900 0.074 0.000 1.156 1307 Y CA 1.833 60.000 58.100 0.112 0.000 1.182 1307 Y CB -0.307 38.225 38.460 0.121 0.000 0.979 1307 Y HN 0.623 nan 8.280 nan 0.000 0.521 1308 T N -3.080 111.541 114.554 0.111 0.000 2.881 1308 T HA -0.207 4.143 4.350 -0.000 0.000 0.270 1308 T C 1.530 176.213 174.700 -0.029 0.000 1.068 1308 T CA 1.618 63.712 62.100 -0.010 0.000 1.131 1308 T CB -0.449 68.316 68.868 -0.172 0.000 0.871 1308 T HN 0.392 nan 8.240 nan 0.000 0.479 1309 H N 1.761 120.792 119.070 -0.066 0.000 2.270 1309 H HA 0.114 4.670 4.556 -0.000 0.000 0.299 1309 H C 2.411 177.841 175.328 0.170 0.000 1.077 1309 H CA 1.565 57.529 56.048 -0.139 0.000 1.294 1309 H CB -0.484 29.057 29.762 -0.369 0.000 1.371 1309 H HN 0.351 nan 8.280 nan 0.000 0.491 1310 L N 0.592 121.979 121.223 0.274 0.000 2.083 1310 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 1310 L C 2.374 179.397 176.870 0.255 0.000 1.083 1310 L CA 1.241 56.234 54.840 0.254 0.000 0.752 1310 L CB -0.507 41.665 42.059 0.187 0.000 0.899 1310 L HN 0.266 nan 8.230 nan 0.000 0.433 1311 E N 0.365 120.700 120.200 0.224 0.000 2.153 1311 E HA -0.190 4.159 4.350 -0.000 0.000 0.194 1311 E C 2.362 179.043 176.600 0.136 0.000 0.988 1311 E CA 0.950 57.454 56.400 0.173 0.000 0.811 1311 E CB -0.091 29.686 29.700 0.128 0.000 0.746 1311 E HN 0.472 nan 8.360 nan 0.000 0.466 1312 L N 0.009 121.325 121.223 0.155 0.000 2.005 1312 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 1312 L C 2.631 179.565 176.870 0.105 0.000 1.072 1312 L CA 1.354 56.259 54.840 0.107 0.000 0.744 1312 L CB -0.840 41.319 42.059 0.168 0.000 0.895 1312 L HN 0.249 nan 8.230 nan 0.000 0.433 1313 G N -0.587 108.329 108.800 0.194 0.000 2.448 1313 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.219 1313 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.219 1313 G C 1.684 176.828 174.900 0.407 0.000 1.127 1313 G CA 0.793 46.031 45.100 0.231 0.000 0.766 1313 G HN 0.473 nan 8.290 nan 0.000 0.552 1314 A N 0.199 123.250 122.820 0.385 0.000 2.016 1314 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 1314 A C 2.406 180.293 177.584 0.505 0.000 1.162 1314 A CA 1.577 53.933 52.037 0.532 0.000 0.662 1314 A CB -0.702 18.537 19.000 0.398 0.000 0.812 1314 A HN 0.872 nan 8.150 nan 0.000 0.450 1315 C N -2.690 116.758 119.300 0.246 0.000 2.697 1315 C HA 0.549 5.009 4.460 -0.000 0.000 0.267 1315 C C 1.657 176.539 174.990 -0.180 0.000 1.278 1315 C CA 0.074 59.168 59.018 0.126 0.000 1.708 1315 C CB -0.880 26.851 27.740 -0.015 0.000 1.860 1315 C HN 1.574 nan 8.230 nan 0.000 0.589 1316 G N 0.702 109.216 108.800 -0.477 0.000 2.130 1316 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.216 1316 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.216 1316 G C 0.016 174.487 174.900 -0.715 0.000 0.999 1316 G CA 0.466 44.748 45.100 -1.365 0.000 0.686 1316 G HN 0.852 nan 8.290 nan 0.000 0.515 1317 T N -0.176 114.144 114.554 -0.390 0.000 2.937 1317 T HA 0.667 5.017 4.350 -0.000 0.000 0.283 1317 T C 0.559 175.040 174.700 -0.364 0.000 1.012 1317 T CA -0.823 61.099 62.100 -0.296 0.000 0.997 1317 T CB 0.613 69.368 68.868 -0.189 0.000 1.136 1317 T HN 0.204 nan 8.240 nan 0.000 0.551 1318 I N 4.021 124.306 120.570 -0.475 0.000 2.379 1318 I HA 0.292 4.462 4.170 -0.000 0.000 0.290 1318 I C -2.169 173.749 176.117 -0.333 0.000 1.063 1318 I CA -2.660 58.350 61.300 -0.484 0.000 1.351 1318 I CB 0.731 38.395 38.000 -0.560 0.000 1.410 1318 I HN 0.441 nan 8.210 nan 0.000 0.505 1319 P HA 0.183 nan 4.420 nan 0.000 0.281 1319 P C -0.605 176.288 177.300 -0.678 0.000 1.252 1319 P CA -0.210 62.563 63.100 -0.546 0.000 0.778 1319 P CB 0.948 32.127 31.700 -0.868 0.000 0.895 1320 V N 5.498 125.138 119.914 -0.457 0.000 2.326 1320 V HA 0.381 4.501 4.120 -0.000 0.000 0.281 1320 V C -0.299 175.845 176.094 0.083 0.000 1.015 1320 V CA -0.263 61.831 62.300 -0.343 0.000 0.823 1320 V CB -0.057 31.442 31.823 -0.541 0.000 1.009 1320 V HN 0.366 nan 8.190 nan 0.000 0.436 1321 F N 1.676 121.541 119.950 -0.141 0.000 2.557 1321 F HA 0.480 5.007 4.527 -0.000 0.000 0.336 1321 F C 0.214 176.240 175.800 0.377 0.000 1.058 1321 F CA -2.268 55.796 58.000 0.107 0.000 0.988 1321 F CB 1.124 40.117 39.000 -0.012 0.000 1.275 1321 F HN 0.462 nan 8.300 nan 0.000 0.488 1322 W N 3.415 125.018 121.300 0.504 0.000 2.356 1322 W HA 0.125 4.785 4.660 -0.000 0.000 0.311 1322 W C 1.127 177.960 176.519 0.523 0.000 1.328 1322 W CA -0.360 57.238 57.345 0.421 0.000 1.251 1322 W CB 1.075 30.694 29.460 0.266 0.000 1.280 1322 W HN 0.690 nan 8.180 nan 0.000 0.524 1323 K N 2.446 122.875 120.400 0.048 0.000 2.020 1323 K HA -0.267 4.053 4.320 -0.000 0.000 0.212 1323 K C 2.227 178.775 176.600 -0.087 0.000 1.050 1323 K CA 2.718 59.013 56.287 0.013 0.000 0.929 1323 K CB -0.204 32.207 32.500 -0.148 0.000 0.714 1323 K HN 0.514 nan 8.250 nan 0.000 0.443 1324 S N -0.747 114.926 115.700 -0.044 0.000 2.423 1324 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 1324 S C 1.880 176.587 174.600 0.178 0.000 1.014 1324 S CA 1.592 59.855 58.200 0.104 0.000 0.965 1324 S CB -0.455 62.896 63.200 0.253 0.000 0.785 1324 S HN 0.308 nan 8.310 nan 0.000 0.495 1325 T N 1.855 116.630 114.554 0.368 0.000 2.737 1325 T HA 0.068 4.418 4.350 -0.000 0.000 0.265 1325 T C 1.989 176.742 174.700 0.088 0.000 1.038 1325 T CA 1.435 63.696 62.100 0.267 0.000 1.144 1325 T CB -1.045 68.056 68.868 0.387 0.000 0.866 1325 T HN 0.643 nan 8.240 nan 0.000 0.434 1326 G N 0.914 109.702 108.800 -0.020 0.000 2.443 1326 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.219 1326 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.219 1326 G C 1.423 176.065 174.900 -0.429 0.000 1.131 1326 G CA 0.448 45.274 45.100 -0.456 0.000 0.775 1326 G HN 0.503 nan 8.290 nan 0.000 0.547 1327 E N 0.214 120.211 120.200 -0.339 0.000 2.216 1327 E HA -0.031 4.319 4.350 -0.000 0.000 0.192 1327 E C 2.101 178.636 176.600 -0.109 0.000 0.988 1327 E CA 0.551 56.812 56.400 -0.232 0.000 0.834 1327 E CB -0.061 29.525 29.700 -0.190 0.000 0.772 1327 E HN 0.561 nan 8.360 nan 0.000 0.479 1328 N N -0.007 118.657 118.700 -0.061 0.000 2.395 1328 N HA 0.049 4.789 4.740 -0.000 0.000 0.175 1328 N C 0.177 175.680 175.510 -0.012 0.000 1.029 1328 N CA -0.070 52.965 53.050 -0.024 0.000 0.897 1328 N CB 0.421 38.907 38.487 -0.001 0.000 0.991 1328 N HN -0.008 nan 8.380 nan 0.000 0.441 1329 L N 1.473 122.690 121.223 -0.010 0.000 2.375 1329 L HA 0.268 4.608 4.340 -0.000 0.000 0.271 1329 L C 0.048 176.951 176.870 0.054 0.000 1.107 1329 L CA -0.484 54.370 54.840 0.022 0.000 0.806 1329 L CB 0.831 42.901 42.059 0.019 0.000 1.146 1329 L HN -0.059 nan 8.230 nan 0.000 0.447 1330 K N 2.429 122.888 120.400 0.099 0.000 2.206 1330 K HA 0.318 4.638 4.320 -0.000 0.000 0.264 1330 K C -0.585 176.163 176.600 0.247 0.000 0.967 1330 K CA -0.742 55.633 56.287 0.146 0.000 0.844 1330 K CB 1.540 34.101 32.500 0.101 0.000 1.099 1330 K HN 0.204 nan 8.250 nan 0.000 0.441 1331 F N 3.275 123.271 119.950 0.077 0.000 2.578 1331 F HA 0.012 4.538 4.527 -0.000 0.000 0.376 1331 F C 1.790 177.638 175.800 0.080 0.000 1.085 1331 F CA -0.194 57.844 58.000 0.064 0.000 1.260 1331 F CB 0.575 39.534 39.000 -0.068 0.000 1.095 1331 F HN 0.604 nan 8.300 nan 0.000 0.573 1332 R N 3.512 123.852 120.500 -0.266 0.000 2.105 1332 R HA -0.106 4.234 4.340 -0.000 0.000 0.239 1332 R C 1.644 177.561 176.300 -0.637 0.000 1.135 1332 R CA 1.933 57.725 56.100 -0.514 0.000 0.967 1332 R CB -0.306 29.593 30.300 -0.669 0.000 0.861 1332 R HN 0.649 nan 8.270 nan 0.000 0.442 1333 V N 1.731 120.958 119.914 -1.146 0.000 2.295 1333 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 1333 V C 1.277 177.192 176.094 -0.298 0.000 1.049 1333 V CA 2.323 64.181 62.300 -0.735 0.000 1.024 1333 V CB -0.332 31.021 31.823 -0.783 0.000 0.648 1333 V HN 0.608 nan 8.190 nan 0.000 0.447 1334 D N -2.774 117.551 120.400 -0.124 0.000 2.582 1334 D HA 0.092 4.732 4.640 -0.000 0.000 0.246 1334 D C 0.232 176.588 176.300 0.094 0.000 1.334 1334 D CA -0.221 53.810 54.000 0.053 0.000 0.805 1334 D CB -0.416 40.488 40.800 0.174 0.000 1.087 1334 D HN 0.347 nan 8.370 nan 0.000 0.499 1335 N N 0.910 119.650 118.700 0.066 0.000 2.714 1335 N HA -0.162 4.578 4.740 -0.000 0.000 0.250 1335 N C -0.636 174.962 175.510 0.146 0.000 1.117 1335 N CA 1.604 54.708 53.050 0.089 0.000 0.719 1335 N CB -1.394 37.117 38.487 0.041 0.000 1.081 1335 N HN 0.634 nan 8.380 nan 0.000 0.557 1336 T N -3.624 111.086 114.554 0.260 0.000 2.929 1336 T HA 0.640 4.990 4.350 -0.000 0.000 0.284 1336 T C -2.715 172.150 174.700 0.276 0.000 1.014 1336 T CA -2.099 60.150 62.100 0.249 0.000 1.051 1336 T CB 2.308 71.346 68.868 0.283 0.000 1.028 1336 T HN -0.235 nan 8.240 nan 0.000 0.485 1337 P HA 0.086 nan 4.420 nan 0.000 0.264 1337 P C 1.043 178.435 177.300 0.153 0.000 1.183 1337 P CA -0.111 63.038 63.100 0.082 0.000 0.763 1337 P CB 0.325 32.013 31.700 -0.019 0.000 0.807 1338 L N 2.168 123.442 121.223 0.084 0.000 2.079 1338 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 1338 L C 2.193 179.074 176.870 0.019 0.000 1.081 1338 L CA 2.227 57.165 54.840 0.163 0.000 0.752 1338 L CB -1.416 40.770 42.059 0.213 0.000 0.896 1338 L HN 0.471 nan 8.230 nan 0.000 0.433 1339 T N -3.632 110.708 114.554 -0.355 0.000 3.051 1339 T HA -0.088 4.261 4.350 -0.000 0.000 0.269 1339 T C 1.646 176.211 174.700 -0.225 0.000 1.127 1339 T CA 0.898 62.645 62.100 -0.587 0.000 1.107 1339 T CB -0.389 67.950 68.868 -0.882 0.000 0.898 1339 T HN 0.426 nan 8.240 nan 0.000 0.517 1340 S N -0.169 115.478 115.700 -0.087 0.000 2.671 1340 S HA 0.191 4.661 4.470 -0.000 0.000 0.220 1340 S C -0.135 174.316 174.600 -0.248 0.000 0.951 1340 S CA -0.742 57.377 58.200 -0.135 0.000 0.932 1340 S CB -0.539 62.581 63.200 -0.134 0.000 0.777 1340 S HN 0.668 nan 8.310 nan 0.000 0.508 1341 H N 0.712 119.674 119.070 -0.180 0.000 2.621 1341 H HA 0.537 5.093 4.556 -0.000 0.000 0.360 1341 H C -1.036 174.135 175.328 -0.261 0.000 1.163 1341 H CA -0.847 55.049 56.048 -0.253 0.000 1.194 1341 H CB 1.131 30.600 29.762 -0.488 0.000 1.649 1341 H HN 0.106 nan 8.280 nan 0.000 0.532 1342 D N 0.776 121.114 120.400 -0.103 0.000 2.558 1342 D HA 0.043 4.683 4.640 -0.000 0.000 0.221 1342 D C 0.441 176.628 176.300 -0.188 0.000 1.143 1342 D CA -0.092 53.843 54.000 -0.108 0.000 1.010 1342 D CB 0.094 40.855 40.800 -0.065 0.000 1.068 1342 D HN 0.528 nan 8.370 nan 0.000 0.511 1343 S N 1.370 116.869 115.700 -0.335 0.000 2.524 1343 S HA 0.245 4.715 4.470 -0.000 0.000 0.216 1343 S C 1.841 176.268 174.600 -0.287 0.000 0.987 1343 S CA 0.213 58.105 58.200 -0.515 0.000 0.909 1343 S CB 0.205 62.727 63.200 -1.130 0.000 0.781 1343 S HN 0.606 nan 8.310 nan 0.000 0.521 1344 G N 1.149 109.808 108.800 -0.235 0.000 2.176 1344 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.253 1344 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.253 1344 G C 0.009 174.708 174.900 -0.336 0.000 0.979 1344 G CA 0.165 45.135 45.100 -0.216 0.000 0.641 1344 G HN 0.577 nan 8.290 nan 0.000 0.530 1345 I N 1.582 121.865 120.570 -0.478 0.000 2.395 1345 I HA 0.341 4.511 4.170 -0.000 0.000 0.289 1345 I C 0.837 176.443 176.117 -0.851 0.000 1.023 1345 I CA -0.583 60.232 61.300 -0.808 0.000 1.350 1345 I CB 1.062 38.349 38.000 -1.189 0.000 1.409 1345 I HN -0.006 nan 8.210 nan 0.000 0.507 1346 I N 5.970 126.112 120.570 -0.713 0.000 2.322 1346 I HA 0.061 4.231 4.170 -0.000 0.000 0.292 1346 I C -0.740 175.076 176.117 -0.501 0.000 1.060 1346 I CA -0.222 60.798 61.300 -0.467 0.000 1.309 1346 I CB 0.328 38.162 38.000 -0.277 0.000 1.415 1346 I HN 0.494 nan 8.210 nan 0.000 0.492 1347 W N 7.127 128.376 121.300 -0.086 0.000 2.433 1347 W HA 0.219 4.878 4.660 -0.000 0.000 0.331 1347 W C 0.207 176.698 176.519 -0.047 0.000 1.110 1347 W CA -0.706 56.621 57.345 -0.029 0.000 1.450 1347 W CB 0.123 29.549 29.460 -0.057 0.000 1.348 1347 W HN 0.302 nan 8.180 nan 0.000 0.415 1348 F N 4.926 124.878 119.950 0.003 0.000 2.590 1348 F HA -0.049 4.478 4.527 -0.000 0.000 0.389 1348 F C 0.495 176.121 175.800 -0.290 0.000 1.049 1348 F CA 0.445 58.358 58.000 -0.145 0.000 1.199 1348 F CB 0.228 39.191 39.000 -0.062 0.000 1.058 1348 F HN 0.148 nan 8.300 nan 0.000 0.556 1349 D N 6.043 126.143 120.400 -0.500 0.000 2.427 1349 D HA 0.074 4.714 4.640 -0.000 0.000 0.226 1349 D C 0.943 176.955 176.300 -0.479 0.000 1.076 1349 D CA -0.263 53.487 54.000 -0.416 0.000 0.849 1349 D CB 0.844 41.479 40.800 -0.276 0.000 1.052 1349 D HN 0.782 nan 8.370 nan 0.000 0.515 1350 E N 2.297 122.302 120.200 -0.325 0.000 2.209 1350 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 1350 E C 0.580 177.158 176.600 -0.036 0.000 0.993 1350 E CA 1.110 57.483 56.400 -0.045 0.000 0.819 1350 E CB -0.186 29.611 29.700 0.161 0.000 0.745 1350 E HN 0.451 nan 8.360 nan 0.000 0.477 1351 N N 0.182 118.833 118.700 -0.083 0.000 2.446 1351 N HA -0.051 4.689 4.740 -0.000 0.000 0.179 1351 N C -0.005 175.472 175.510 -0.055 0.000 1.054 1351 N CA 0.611 53.638 53.050 -0.038 0.000 0.905 1351 N CB 0.344 38.810 38.487 -0.036 0.000 0.973 1351 N HN 0.035 nan 8.380 nan 0.000 0.448 1352 D N 0.028 120.352 120.400 -0.127 0.000 2.735 1352 D HA 0.211 4.851 4.640 -0.000 0.000 0.291 1352 D C 0.546 176.706 176.300 -0.234 0.000 1.205 1352 D CA -0.160 53.767 54.000 -0.121 0.000 0.777 1352 D CB 0.131 40.871 40.800 -0.100 0.000 1.234 1352 D HN -0.029 nan 8.370 nan 0.000 0.520 1353 M N -0.231 119.202 119.600 -0.279 0.000 2.279 1353 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 1353 M C 1.831 177.755 176.300 -0.626 0.000 1.062 1353 M CA 1.137 56.124 55.300 -0.522 0.000 1.099 1353 M CB 0.175 32.546 32.600 -0.383 0.000 1.394 1353 M HN 0.307 nan 8.290 nan 0.000 0.426 1354 E N 0.395 120.363 120.200 -0.386 0.000 2.077 1354 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 1354 E C 1.935 178.511 176.600 -0.040 0.000 0.989 1354 E CA 1.800 58.117 56.400 -0.138 0.000 0.800 1354 E CB 0.121 29.944 29.700 0.206 0.000 0.746 1354 E HN 0.542 nan 8.360 nan 0.000 0.452 1355 S N -0.513 115.139 115.700 -0.080 0.000 2.402 1355 S HA -0.132 4.338 4.470 -0.000 0.000 0.229 1355 S C 2.067 176.607 174.600 -0.100 0.000 1.021 1355 S CA 1.503 59.662 58.200 -0.069 0.000 0.974 1355 S CB -0.582 62.573 63.200 -0.076 0.000 0.800 1355 S HN 0.188 nan 8.310 nan 0.000 0.484 1356 T N 1.762 116.213 114.554 -0.172 0.000 2.777 1356 T HA 0.028 4.378 4.350 -0.000 0.000 0.266 1356 T C 1.292 175.986 174.700 -0.010 0.000 1.040 1356 T CA 1.367 63.357 62.100 -0.183 0.000 1.141 1356 T CB -0.548 68.042 68.868 -0.463 0.000 0.868 1356 T HN 0.473 nan 8.240 nan 0.000 0.444 1357 F N 2.348 122.254 119.950 -0.073 0.000 2.186 1357 F HA -0.036 4.491 4.527 -0.000 0.000 0.299 1357 F C 2.250 178.038 175.800 -0.021 0.000 1.090 1357 F CA 1.044 59.066 58.000 0.036 0.000 1.307 1357 F CB -0.241 38.713 39.000 -0.077 0.000 1.019 1357 F HN 0.001 nan 8.300 nan 0.000 0.489 1358 E N 0.156 120.262 120.200 -0.158 0.000 2.150 1358 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 1358 E C 2.374 178.846 176.600 -0.213 0.000 0.985 1358 E CA 0.485 56.745 56.400 -0.233 0.000 0.814 1358 E CB -0.377 29.277 29.700 -0.075 0.000 0.752 1358 E HN 0.268 nan 8.360 nan 0.000 0.466 1359 R N 0.857 121.264 120.500 -0.155 0.000 2.075 1359 R HA -0.006 4.334 4.340 -0.000 0.000 0.232 1359 R C 2.392 178.598 176.300 -0.157 0.000 1.126 1359 R CA 0.660 56.685 56.100 -0.126 0.000 0.963 1359 R CB -0.646 29.590 30.300 -0.105 0.000 0.858 1359 R HN 0.238 nan 8.270 nan 0.000 0.435 1360 I N 0.741 121.163 120.570 -0.247 0.000 2.226 1360 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 1360 I C 2.192 178.085 176.117 -0.374 0.000 1.100 1360 I CA 1.437 62.470 61.300 -0.444 0.000 1.374 1360 I CB -0.213 37.452 38.000 -0.559 0.000 1.057 1360 I HN 0.118 nan 8.210 nan 0.000 0.413 1361 K N 0.696 120.837 120.400 -0.432 0.000 2.026 1361 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 1361 K C 2.039 178.562 176.600 -0.128 0.000 1.048 1361 K CA 1.484 57.571 56.287 -0.333 0.000 0.929 1361 K CB -0.207 32.004 32.500 -0.481 0.000 0.713 1361 K HN 0.286 nan 8.250 nan 0.000 0.439 1362 E N 0.827 120.958 120.200 -0.115 0.000 2.086 1362 E HA -0.216 4.134 4.350 -0.000 0.000 0.200 1362 E C 1.981 178.606 176.600 0.042 0.000 1.012 1362 E CA 1.304 57.682 56.400 -0.036 0.000 0.812 1362 E CB -0.092 29.584 29.700 -0.041 0.000 0.743 1362 E HN 0.238 nan 8.360 nan 0.000 0.453 1363 L N 0.249 121.533 121.223 0.103 0.000 2.156 1363 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 1363 L C 2.367 179.452 176.870 0.358 0.000 1.095 1363 L CA 0.592 55.581 54.840 0.248 0.000 0.770 1363 L CB -0.131 42.125 42.059 0.328 0.000 0.914 1363 L HN 0.049 nan 8.230 nan 0.000 0.439 1364 S N -0.769 115.132 115.700 0.336 0.000 2.453 1364 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 1364 S C 2.114 176.785 174.600 0.119 0.000 1.005 1364 S CA 1.027 59.399 58.200 0.287 0.000 0.949 1364 S CB 0.067 63.417 63.200 0.250 0.000 0.774 1364 S HN 0.366 nan 8.310 nan 0.000 0.510 1365 S N 0.752 116.502 115.700 0.083 0.000 2.439 1365 S HA 0.049 4.519 4.470 -0.000 0.000 0.224 1365 S C 0.608 175.232 174.600 0.040 0.000 1.029 1365 S CA 0.286 58.511 58.200 0.042 0.000 0.946 1365 S CB -0.004 63.208 63.200 0.020 0.000 0.797 1365 S HN 0.407 nan 8.310 nan 0.000 0.504 1366 D N 0.772 121.209 120.400 0.062 0.000 2.464 1366 D HA 0.309 4.949 4.640 -0.000 0.000 0.243 1366 D C 0.691 177.039 176.300 0.081 0.000 1.104 1366 D CA -0.392 53.642 54.000 0.056 0.000 0.883 1366 D CB 0.538 41.369 40.800 0.051 0.000 1.050 1366 D HN -0.068 nan 8.370 nan 0.000 0.524 1367 R N 2.087 122.610 120.500 0.038 0.000 2.159 1367 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 1367 R C 1.780 178.132 176.300 0.085 0.000 1.131 1367 R CA 1.431 57.544 56.100 0.022 0.000 0.982 1367 R CB 0.102 30.377 30.300 -0.042 0.000 0.868 1367 R HN 0.448 nan 8.270 nan 0.000 0.453 1368 A N 0.945 123.805 122.820 0.068 0.000 1.898 1368 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 1368 A C 2.024 179.660 177.584 0.087 0.000 1.181 1368 A CA 0.921 52.999 52.037 0.069 0.000 0.620 1368 A CB -0.370 18.657 19.000 0.045 0.000 0.819 1368 A HN 0.240 nan 8.150 nan 0.000 0.442 1369 L N -1.630 119.645 121.223 0.087 0.000 2.093 1369 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 1369 L C 2.244 179.172 176.870 0.097 0.000 1.085 1369 L CA 2.129 57.014 54.840 0.074 0.000 0.755 1369 L CB -0.886 41.209 42.059 0.060 0.000 0.904 1369 L HN 0.528 nan 8.230 nan 0.000 0.435 1370 Y N 0.016 120.317 120.300 0.002 0.000 2.128 1370 Y HA -0.311 4.239 4.550 -0.000 0.000 0.284 1370 Y C 2.402 178.290 175.900 -0.020 0.000 1.154 1370 Y CA 2.165 60.253 58.100 -0.020 0.000 1.149 1370 Y CB -0.201 38.232 38.460 -0.044 0.000 0.976 1370 Y HN 0.301 nan 8.280 nan 0.000 0.505 1371 D N -0.071 120.500 120.400 0.284 0.000 2.144 1371 D HA -0.197 4.443 4.640 -0.000 0.000 0.199 1371 D C 2.299 178.674 176.300 0.125 0.000 0.984 1371 D CA 1.116 55.249 54.000 0.222 0.000 0.834 1371 D CB -0.325 40.589 40.800 0.190 0.000 0.955 1371 D HN 0.358 nan 8.370 nan 0.000 0.465 1372 R N 0.507 121.055 120.500 0.080 0.000 2.081 1372 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 1372 R C 1.662 177.972 176.300 0.018 0.000 1.131 1372 R CA 1.122 57.252 56.100 0.049 0.000 0.960 1372 R CB 0.042 30.363 30.300 0.035 0.000 0.856 1372 R HN 0.098 nan 8.270 nan 0.000 0.436 1373 E N 0.934 121.110 120.200 -0.040 0.000 2.046 1373 E HA -0.182 4.168 4.350 -0.000 0.000 0.190 1373 E C 2.093 178.637 176.600 -0.094 0.000 0.982 1373 E CA 1.483 57.824 56.400 -0.097 0.000 0.800 1373 E CB -0.249 29.349 29.700 -0.171 0.000 0.756 1373 E HN 0.555 nan 8.360 nan 0.000 0.449 1374 R N 1.101 121.526 120.500 -0.126 0.000 2.092 1374 R HA -0.031 4.309 4.340 -0.000 0.000 0.231 1374 R C 1.832 178.295 176.300 0.272 0.000 1.119 1374 R CA 1.051 57.134 56.100 -0.028 0.000 0.970 1374 R CB -0.301 29.894 30.300 -0.174 0.000 0.864 1374 R HN -0.035 nan 8.270 nan 0.000 0.440 1375 E N 1.624 121.987 120.200 0.271 0.000 2.110 1375 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 1375 E C 1.759 178.494 176.600 0.225 0.000 0.988 1375 E CA 1.357 57.908 56.400 0.251 0.000 0.804 1375 E CB -0.022 29.755 29.700 0.128 0.000 0.745 1375 E HN 0.501 nan 8.360 nan 0.000 0.458 1376 K N 0.520 121.006 120.400 0.142 0.000 2.025 1376 K HA -0.048 4.271 4.320 -0.000 0.000 0.207 1376 K C 2.214 178.904 176.600 0.150 0.000 1.049 1376 K CA 1.146 57.500 56.287 0.112 0.000 0.933 1376 K CB -0.155 32.358 32.500 0.021 0.000 0.714 1376 K HN 0.034 nan 8.250 nan 0.000 0.438 1377 A N 0.955 123.841 122.820 0.111 0.000 1.883 1377 A HA -0.229 4.090 4.320 -0.000 0.000 0.217 1377 A C 2.111 179.859 177.584 0.274 0.000 1.186 1377 A CA 1.536 53.642 52.037 0.114 0.000 0.624 1377 A CB -0.915 18.072 19.000 -0.022 0.000 0.822 1377 A HN 0.459 nan 8.150 nan 0.000 0.444 1378 Y N 0.654 121.096 120.300 0.237 0.000 2.097 1378 Y HA -0.263 4.287 4.550 -0.000 0.000 0.282 1378 Y C 2.355 178.417 175.900 0.270 0.000 1.152 1378 Y CA 2.589 60.859 58.100 0.284 0.000 1.136 1378 Y CB -0.327 38.308 38.460 0.292 0.000 0.975 1378 Y HN 0.401 nan 8.280 nan 0.000 0.498 1379 E N -0.055 120.324 120.200 0.299 0.000 2.077 1379 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 1379 E C 1.996 178.768 176.600 0.287 0.000 0.989 1379 E CA 1.575 58.121 56.400 0.243 0.000 0.800 1379 E CB -0.840 29.028 29.700 0.281 0.000 0.746 1379 E HN 0.530 nan 8.360 nan 0.000 0.452 1380 F N 0.572 120.593 119.950 0.120 0.000 2.075 1380 F HA -0.106 4.421 4.527 -0.000 0.000 0.297 1380 F C 1.848 177.750 175.800 0.171 0.000 1.113 1380 F CA 1.519 59.565 58.000 0.077 0.000 1.218 1380 F CB -0.354 38.605 39.000 -0.068 0.000 0.984 1380 F HN 0.039 nan 8.300 nan 0.000 0.472 1381 L N -0.988 120.343 121.223 0.180 0.000 2.083 1381 L HA -0.248 4.092 4.340 -0.000 0.000 0.209 1381 L C 2.412 179.333 176.870 0.084 0.000 1.083 1381 L CA 1.609 56.520 54.840 0.119 0.000 0.752 1381 L CB -1.059 41.121 42.059 0.203 0.000 0.899 1381 L HN 0.299 nan 8.230 nan 0.000 0.433 1382 Y N 1.039 121.282 120.300 -0.094 0.000 2.145 1382 Y HA -0.323 4.227 4.550 -0.000 0.000 0.286 1382 Y C 2.679 178.655 175.900 0.127 0.000 1.145 1382 Y CA 1.786 59.834 58.100 -0.086 0.000 1.148 1382 Y CB -0.241 38.045 38.460 -0.290 0.000 0.981 1382 Y HN 0.085 nan 8.280 nan 0.000 0.507 1383 Q N -0.806 119.003 119.800 0.015 0.000 2.124 1383 Q HA -0.199 4.140 4.340 -0.000 0.000 0.202 1383 Q C 2.365 178.144 176.000 -0.368 0.000 0.977 1383 Q CA 1.929 57.614 55.803 -0.197 0.000 0.850 1383 Q CB -0.560 28.207 28.738 0.049 0.000 0.901 1383 Q HN 0.687 nan 8.270 nan 0.000 0.429 1384 H N -0.929 117.989 119.070 -0.253 0.000 2.403 1384 H HA 0.053 4.609 4.556 -0.000 0.000 0.298 1384 H C 0.729 175.911 175.328 -0.242 0.000 1.059 1384 H CA 1.248 57.113 56.048 -0.305 0.000 1.363 1384 H CB 0.603 30.249 29.762 -0.193 0.000 1.410 1384 H HN 0.226 nan 8.280 nan 0.000 0.528 1385 Q N 0.867 120.541 119.800 -0.209 0.000 2.013 1385 Q HA 0.099 4.439 4.340 -0.000 0.000 0.233 1385 Q C -1.218 174.708 176.000 -0.124 0.000 0.834 1385 Q CA -0.259 55.405 55.803 -0.233 0.000 1.040 1385 Q CB 0.811 29.457 28.738 -0.153 0.000 1.248 1385 Q HN 0.284 nan 8.270 nan 0.000 0.425 1386 D N -1.226 119.126 120.400 -0.082 0.000 2.372 1386 D HA 0.101 4.741 4.640 -0.000 0.000 0.243 1386 D C 0.809 177.033 176.300 -0.126 0.000 1.121 1386 D CA 0.377 54.320 54.000 -0.095 0.000 0.898 1386 D CB 1.260 41.872 40.800 -0.313 0.000 1.202 1386 D HN 0.021 nan 8.370 nan 0.000 0.428 1387 S N 0.994 116.656 115.700 -0.063 0.000 2.383 1387 S HA -0.221 4.248 4.470 -0.000 0.000 0.229 1387 S C 2.037 176.643 174.600 0.011 0.000 1.030 1387 S CA 1.280 59.454 58.200 -0.043 0.000 1.002 1387 S CB -0.415 62.961 63.200 0.293 0.000 0.829 1387 S HN 0.694 nan 8.310 nan 0.000 0.467 1388 S N 0.823 116.492 115.700 -0.051 0.000 2.419 1388 S HA -0.090 4.379 4.470 -0.000 0.000 0.235 1388 S C 1.424 175.877 174.600 -0.246 0.000 1.019 1388 S CA 1.067 59.195 58.200 -0.121 0.000 0.982 1388 S CB -0.534 62.439 63.200 -0.379 0.000 0.789 1388 S HN 0.440 nan 8.310 nan 0.000 0.490 1389 F N 1.052 120.940 119.950 -0.103 0.000 2.298 1389 F HA 0.273 4.799 4.527 -0.000 0.000 0.282 1389 F C 2.922 178.610 175.800 -0.186 0.000 1.045 1389 F CA -0.579 57.328 58.000 -0.155 0.000 1.280 1389 F CB -1.247 37.599 39.000 -0.258 0.000 1.114 1389 F HN 0.236 nan 8.300 nan 0.000 0.546 1390 C N 0.046 119.306 119.300 -0.068 0.000 2.432 1390 C HA -0.172 4.288 4.460 -0.000 0.000 0.277 1390 C C 2.750 177.565 174.990 -0.292 0.000 1.249 1390 C CA 0.724 59.612 59.018 -0.216 0.000 1.725 1390 C CB -1.523 26.017 27.740 -0.333 0.000 2.028 1390 C HN 0.391 nan 8.230 nan 0.000 0.477 1391 F N 1.013 120.677 119.950 -0.476 0.000 2.293 1391 F HA -0.109 4.418 4.527 -0.000 0.000 0.300 1391 F C 2.543 177.749 175.800 -0.989 0.000 1.086 1391 F CA 1.156 58.565 58.000 -0.985 0.000 1.375 1391 F CB -0.203 37.653 39.000 -1.907 0.000 1.045 1391 F HN 0.241 nan 8.300 nan 0.000 0.516 1392 K N 0.842 121.057 120.400 -0.309 0.000 2.062 1392 K HA -0.216 4.104 4.320 -0.000 0.000 0.205 1392 K C 2.066 178.693 176.600 0.046 0.000 1.051 1392 K CA 1.420 57.708 56.287 0.001 0.000 0.941 1392 K CB -0.173 32.411 32.500 0.141 0.000 0.719 1392 K HN 0.216 nan 8.250 nan 0.000 0.440 1393 E N 0.550 120.752 120.200 0.003 0.000 2.085 1393 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 1393 E C 1.928 178.552 176.600 0.040 0.000 0.994 1393 E CA 1.501 57.915 56.400 0.024 0.000 0.801 1393 E CB 0.090 29.787 29.700 -0.006 0.000 0.743 1393 E HN 0.414 nan 8.360 nan 0.000 0.453 1394 Q N -0.579 119.219 119.800 -0.004 0.000 2.119 1394 Q HA -0.140 4.200 4.340 -0.000 0.000 0.201 1394 Q C 2.011 178.077 176.000 0.109 0.000 0.972 1394 Q CA 1.306 57.115 55.803 0.011 0.000 0.847 1394 Q CB -0.219 28.433 28.738 -0.143 0.000 0.903 1394 Q HN 0.316 nan 8.270 nan 0.000 0.433 1395 F N 2.111 122.004 119.950 -0.095 0.000 2.171 1395 F HA -0.198 4.329 4.527 -0.000 0.000 0.300 1395 F C 1.383 177.220 175.800 0.061 0.000 1.090 1395 F CA 1.422 59.421 58.000 -0.002 0.000 1.293 1395 F CB 0.049 39.038 39.000 -0.019 0.000 1.013 1395 F HN -0.005 nan 8.300 nan 0.000 0.486 1396 D N 0.525 121.074 120.400 0.249 0.000 2.144 1396 D HA -0.148 4.492 4.640 -0.000 0.000 0.200 1396 D C 2.454 178.739 176.300 -0.024 0.000 0.978 1396 D CA 1.480 55.563 54.000 0.138 0.000 0.833 1396 D CB -0.311 40.573 40.800 0.139 0.000 0.961 1396 D HN 0.361 nan 8.370 nan 0.000 0.470 1397 I N 0.508 121.044 120.570 -0.058 0.000 2.252 1397 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 1397 I C 2.295 178.285 176.117 -0.212 0.000 1.102 1397 I CA 0.637 61.791 61.300 -0.243 0.000 1.385 1397 I CB -0.065 37.712 38.000 -0.372 0.000 1.064 1397 I HN -0.052 nan 8.210 nan 0.000 0.414 1398 I N 0.336 120.854 120.570 -0.086 0.000 2.286 1398 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 1398 I C 2.446 178.445 176.117 -0.197 0.000 1.115 1398 I CA 1.468 62.706 61.300 -0.104 0.000 1.392 1398 I CB -0.481 37.489 38.000 -0.050 0.000 1.065 1398 I HN 0.253 nan 8.210 nan 0.000 0.418 1399 T N -0.083 114.303 114.554 -0.280 0.000 2.809 1399 T HA -0.052 4.298 4.350 -0.000 0.000 0.260 1399 T C 1.164 175.800 174.700 -0.107 0.000 1.039 1399 T CA 1.029 62.987 62.100 -0.237 0.000 1.141 1399 T CB 0.149 68.865 68.868 -0.254 0.000 0.869 1399 T HN 0.053 nan 8.240 nan 0.000 0.437 1400 K N 0.000 120.353 120.400 -0.079 0.000 2.780 1400 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1400 K CA 0.000 56.263 56.287 -0.040 0.000 0.838 1400 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 1400 K HN 0.000 nan 8.250 nan 0.000 0.543