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 1lnc_1_E DATA FIRST_RESID 1 DATA SEQUENCE ITGTSTVGVG RGVLGDQKNI NTTYSTYYYL QDNTRGDGIF TYDAKYRTTL DATA SEQUENCE PGSLWADADN QFFASYDAPA VDAHYYAGVT YDYYKNVHNR LSYDGNNAAI DATA SEQUENCE RSSVHYSQGY NNAFWNGSEM VYGDGDGQTF IPLSGGIDVV AHELTHAVTD DATA SEQUENCE YTAGLIYQNE SGAINEAISD IFGTLVEFYA NKNPDWEIGE DVYTPGISGD DATA SEQUENCE SLRSMSDPAK YGDPDHYSKR YTGTQDNGGV HINSGIINKA AYLISQGGTH DATA SEQUENCE YGVSVVGIGR DKLGKIFYRA LTQYLTPTSN FSQLRAAAVQ SATDLYGSTS DATA SEQUENCE QEVASVKQAF DAVGVK 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 1 I HA 0.000 nan 4.170 nan 0.000 0.288 1 I C 0.000 176.100 176.117 -0.029 0.000 1.063 1 I CA 0.000 61.230 61.300 -0.117 0.000 1.566 1 I CB 0.000 37.794 38.000 -0.344 0.000 1.214 2 T N 3.845 118.377 114.554 -0.036 0.000 2.770 2 T HA 0.780 5.130 4.350 -0.000 0.000 0.283 2 T C 0.102 174.798 174.700 -0.008 0.000 0.988 2 T CA -0.388 61.709 62.100 -0.004 0.000 0.957 2 T CB 1.711 70.578 68.868 -0.002 0.000 0.930 2 T HN 0.937 nan 8.240 nan 0.000 0.443 3 G N 1.663 110.475 108.800 0.020 0.000 2.570 3 G HA2 0.531 4.491 3.960 -0.000 0.000 0.310 3 G HA3 0.531 4.491 3.960 -0.000 0.000 0.310 3 G C -1.227 173.716 174.900 0.072 0.000 1.266 3 G CA -0.637 44.481 45.100 0.030 0.000 0.825 3 G HN 0.534 nan 8.290 nan 0.000 0.483 4 T N 1.515 116.142 114.554 0.121 0.000 2.767 4 T HA 0.571 4.921 4.350 -0.000 0.000 0.284 4 T C 0.312 175.112 174.700 0.167 0.000 0.973 4 T CA -0.076 62.112 62.100 0.146 0.000 0.996 4 T CB 1.193 70.181 68.868 0.199 0.000 0.927 4 T HN 0.489 nan 8.240 nan 0.000 0.456 5 S N 2.758 118.528 115.700 0.117 0.000 2.549 5 S HA 0.471 4.940 4.470 -0.000 0.000 0.283 5 S C 0.563 175.240 174.600 0.127 0.000 1.320 5 S CA -0.381 57.885 58.200 0.110 0.000 1.058 5 S CB 0.859 64.096 63.200 0.062 0.000 0.882 5 S HN 0.809 nan 8.310 nan 0.000 0.498 6 T N 1.433 116.076 114.554 0.147 0.000 2.671 6 T HA 0.587 4.937 4.350 -0.000 0.000 0.300 6 T C -1.752 173.013 174.700 0.108 0.000 1.238 6 T CA -0.509 61.673 62.100 0.136 0.000 1.020 6 T CB 0.975 69.961 68.868 0.198 0.000 1.503 6 T HN 0.309 nan 8.240 nan 0.000 0.497 7 V N 1.419 121.379 119.914 0.077 0.000 2.531 7 V HA 0.795 4.915 4.120 -0.000 0.000 0.301 7 V C 0.727 176.840 176.094 0.032 0.000 1.034 7 V CA -0.332 61.998 62.300 0.050 0.000 0.865 7 V CB 1.306 33.149 31.823 0.033 0.000 0.995 7 V HN 1.097 nan 8.190 nan 0.000 0.424 8 G N 1.978 110.802 108.800 0.040 0.000 2.820 8 G HA2 0.747 4.707 3.960 -0.000 0.000 0.291 8 G HA3 0.747 4.707 3.960 -0.000 0.000 0.291 8 G C -1.374 173.542 174.900 0.028 0.000 1.323 8 G CA -0.771 44.365 45.100 0.059 0.000 1.055 8 G HN 0.759 nan 8.290 nan 0.000 0.520 9 V N -0.902 119.043 119.914 0.053 0.000 2.925 9 V HA 0.958 5.078 4.120 -0.000 0.000 0.311 9 V C 0.149 176.072 176.094 -0.286 0.000 1.104 9 V CA 0.584 62.848 62.300 -0.060 0.000 0.954 9 V CB 1.743 33.593 31.823 0.046 0.000 1.022 9 V HN 1.594 nan 8.190 nan 0.000 0.427 10 G N 4.596 113.070 108.800 -0.544 0.000 2.634 10 G HA2 0.645 4.605 3.960 -0.000 0.000 0.309 10 G HA3 0.645 4.605 3.960 -0.000 0.000 0.309 10 G C -1.758 172.719 174.900 -0.706 0.000 1.299 10 G CA -0.931 43.606 45.100 -0.939 0.000 0.798 10 G HN 0.784 nan 8.290 nan 0.000 0.490 11 R N -0.845 119.353 120.500 -0.502 0.000 2.621 11 R HA 0.605 4.945 4.340 -0.000 0.000 0.292 11 R C 0.376 176.568 176.300 -0.180 0.000 0.969 11 R CA -0.246 55.736 56.100 -0.197 0.000 0.887 11 R CB 1.943 32.271 30.300 0.047 0.000 1.180 11 R HN 0.834 nan 8.270 nan 0.000 0.450 12 G N 0.600 109.296 108.800 -0.174 0.000 2.543 12 G HA2 0.201 4.161 3.960 -0.000 0.000 0.290 12 G HA3 0.201 4.161 3.960 -0.000 0.000 0.290 12 G C 0.893 175.746 174.900 -0.079 0.000 1.310 12 G CA -0.616 44.379 45.100 -0.175 0.000 1.025 12 G HN 0.396 nan 8.290 nan 0.000 0.502 13 V N 0.039 119.916 119.914 -0.062 0.000 2.324 13 V HA -0.164 3.956 4.120 -0.000 0.000 0.250 13 V C 2.566 178.671 176.094 0.019 0.000 1.060 13 V CA 1.483 63.779 62.300 -0.006 0.000 1.042 13 V CB -0.592 31.237 31.823 0.010 0.000 0.650 13 V HN 0.472 nan 8.190 nan 0.000 0.450 14 L N 0.086 121.319 121.223 0.017 0.000 2.627 14 L HA 0.250 4.590 4.340 -0.000 0.000 0.233 14 L C 1.729 178.608 176.870 0.015 0.000 1.144 14 L CA 0.827 55.681 54.840 0.024 0.000 0.892 14 L CB -0.620 41.457 42.059 0.029 0.000 1.039 14 L HN 0.602 nan 8.230 nan 0.000 0.442 15 G N 0.361 109.166 108.800 0.010 0.000 2.176 15 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.253 15 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.253 15 G C -0.001 174.906 174.900 0.012 0.000 0.979 15 G CA 0.237 45.350 45.100 0.022 0.000 0.641 15 G HN 0.538 nan 8.290 nan 0.000 0.530 16 D N 0.414 120.801 120.400 -0.022 0.000 2.302 16 D HA 0.408 5.048 4.640 -0.000 0.000 0.248 16 D C 0.266 176.517 176.300 -0.082 0.000 1.094 16 D CA -0.284 53.689 54.000 -0.045 0.000 0.897 16 D CB 1.123 41.883 40.800 -0.066 0.000 1.200 16 D HN 0.468 nan 8.370 nan 0.000 0.429 17 Q N 1.004 120.774 119.800 -0.051 0.000 2.261 17 Q HA 0.286 4.625 4.340 -0.000 0.000 0.252 17 Q C -0.612 175.290 176.000 -0.163 0.000 0.915 17 Q CA -0.604 55.164 55.803 -0.058 0.000 0.915 17 Q CB 0.794 29.574 28.738 0.070 0.000 1.204 17 Q HN 0.591 nan 8.270 nan 0.000 0.421 18 K N 1.953 122.203 120.400 -0.249 0.000 2.536 18 K HA 0.477 4.797 4.320 -0.000 0.000 0.269 18 K C -1.152 175.312 176.600 -0.226 0.000 0.965 18 K CA -1.066 55.028 56.287 -0.323 0.000 0.860 18 K CB 1.065 33.142 32.500 -0.704 0.000 1.423 18 K HN 0.407 nan 8.250 nan 0.000 0.438 19 N N 1.436 120.065 118.700 -0.118 0.000 2.509 19 N HA 0.500 5.240 4.740 -0.000 0.000 0.287 19 N C -0.295 175.220 175.510 0.009 0.000 1.121 19 N CA -0.456 52.569 53.050 -0.041 0.000 0.977 19 N CB 1.093 39.588 38.487 0.014 0.000 1.167 19 N HN 0.609 nan 8.380 nan 0.000 0.476 20 I N -1.946 118.610 120.570 -0.023 0.000 2.828 20 I HA 0.481 4.651 4.170 -0.000 0.000 0.302 20 I C -0.627 175.503 176.117 0.022 0.000 1.101 20 I CA -1.132 60.180 61.300 0.019 0.000 1.031 20 I CB 1.978 39.924 38.000 -0.090 0.000 1.231 20 I HN 0.162 nan 8.210 nan 0.000 0.427 21 N N 2.505 121.241 118.700 0.059 0.000 2.430 21 N HA 0.428 5.168 4.740 -0.000 0.000 0.265 21 N C -0.454 175.132 175.510 0.127 0.000 1.100 21 N CA -0.133 52.956 53.050 0.066 0.000 0.961 21 N CB 1.132 39.620 38.487 0.002 0.000 1.075 21 N HN 0.799 nan 8.380 nan 0.000 0.478 22 T N -1.234 113.389 114.554 0.115 0.000 2.888 22 T HA 0.565 4.915 4.350 -0.000 0.000 0.288 22 T C -0.359 174.472 174.700 0.218 0.000 1.063 22 T CA -0.802 61.395 62.100 0.162 0.000 1.010 22 T CB 1.815 70.831 68.868 0.247 0.000 1.214 22 T HN 0.135 nan 8.240 nan 0.000 0.533 23 T N 1.517 116.244 114.554 0.288 0.000 2.848 23 T HA 0.472 4.822 4.350 -0.000 0.000 0.285 23 T C -1.880 173.045 174.700 0.375 0.000 0.995 23 T CA -0.461 61.807 62.100 0.281 0.000 0.970 23 T CB 0.906 69.888 68.868 0.190 0.000 0.976 23 T HN 0.630 nan 8.240 nan 0.000 0.441 24 Y N 2.302 122.691 120.300 0.147 0.000 2.335 24 Y HA 0.597 5.147 4.550 -0.000 0.000 0.339 24 Y C 0.001 175.898 175.900 -0.004 0.000 0.987 24 Y CA -0.696 57.374 58.100 -0.050 0.000 1.140 24 Y CB 1.211 39.586 38.460 -0.141 0.000 1.173 24 Y HN 0.577 nan 8.280 nan 0.000 0.486 25 S N 4.747 120.085 115.700 -0.602 0.000 2.479 25 S HA 0.362 4.832 4.470 -0.000 0.000 0.169 25 S C 0.087 174.436 174.600 -0.419 0.000 1.181 25 S CA 0.321 58.240 58.200 -0.469 0.000 1.169 25 S CB -0.331 62.807 63.200 -0.103 0.000 1.384 25 S HN 1.039 nan 8.310 nan 0.000 0.412 26 T N 1.693 115.758 114.554 -0.816 0.000 13.229 26 T HA -0.263 4.087 4.350 -0.000 0.000 0.418 26 T C 0.053 174.429 174.700 -0.541 0.000 1.449 26 T CA 1.905 63.704 62.100 -0.502 0.000 2.373 26 T CB -1.444 67.293 68.868 -0.218 0.000 2.798 26 T HN 0.621 nan 8.240 nan 0.000 0.615 27 Y N 0.080 120.185 120.300 -0.325 0.000 2.458 27 Y HA 0.605 5.154 4.550 -0.000 0.000 0.322 27 Y C 0.080 175.708 175.900 -0.452 0.000 1.259 27 Y CA -0.967 56.910 58.100 -0.373 0.000 1.302 27 Y CB 0.643 38.742 38.460 -0.601 0.000 1.314 27 Y HN 0.280 nan 8.280 nan 0.000 0.509 28 Y N 0.697 121.062 120.300 0.109 0.000 2.326 28 Y HA 0.332 4.882 4.550 -0.000 0.000 0.337 28 Y C -0.948 174.971 175.900 0.032 0.000 1.023 28 Y CA -0.638 57.579 58.100 0.196 0.000 1.143 28 Y CB 0.313 38.927 38.460 0.257 0.000 1.183 28 Y HN 0.381 nan 8.280 nan 0.000 0.485 29 Y N 2.109 122.626 120.300 0.362 0.000 2.457 29 Y HA 0.401 4.951 4.550 -0.000 0.000 0.333 29 Y C -0.041 175.939 175.900 0.135 0.000 1.119 29 Y CA -1.181 57.070 58.100 0.252 0.000 1.143 29 Y CB 1.159 39.701 38.460 0.137 0.000 1.230 29 Y HN 0.392 nan 8.280 nan 0.000 0.469 30 L N 3.258 124.577 121.223 0.160 0.000 2.384 30 L HA 0.192 4.532 4.340 -0.000 0.000 0.258 30 L C -0.328 176.405 176.870 -0.228 0.000 1.266 30 L CA 0.281 54.897 54.840 -0.373 0.000 1.162 30 L CB -0.390 41.263 42.059 -0.677 0.000 1.375 30 L HN 0.550 nan 8.230 nan 0.000 0.420 31 Q N 1.865 121.637 119.800 -0.046 0.000 2.275 31 Q HA 0.188 4.528 4.340 -0.000 0.000 0.266 31 Q C -1.432 174.523 176.000 -0.075 0.000 1.002 31 Q CA -0.717 55.014 55.803 -0.120 0.000 0.761 31 Q CB 2.199 30.883 28.738 -0.090 0.000 1.255 31 Q HN 0.266 nan 8.270 nan 0.000 0.446 32 D N 3.149 123.461 120.400 -0.146 0.000 2.412 32 D HA 0.197 4.837 4.640 -0.000 0.000 0.224 32 D C -0.269 175.889 176.300 -0.238 0.000 1.093 32 D CA -0.238 53.675 54.000 -0.145 0.000 0.850 32 D CB 0.901 41.553 40.800 -0.247 0.000 1.046 32 D HN 0.667 nan 8.370 nan 0.000 0.507 33 N N 1.092 119.709 118.700 -0.138 0.000 2.412 33 N HA -0.060 4.680 4.740 -0.000 0.000 0.184 33 N C 1.475 176.917 175.510 -0.114 0.000 1.101 33 N CA 0.590 53.569 53.050 -0.119 0.000 0.881 33 N CB 0.407 38.866 38.487 -0.047 0.000 0.969 33 N HN 0.474 nan 8.380 nan 0.000 0.459 34 T N -1.850 112.625 114.554 -0.133 0.000 3.085 34 T HA 0.107 4.457 4.350 -0.000 0.000 0.263 34 T C 0.679 175.265 174.700 -0.191 0.000 1.127 34 T CA 0.267 62.293 62.100 -0.123 0.000 1.103 34 T CB 0.083 68.893 68.868 -0.096 0.000 0.921 34 T HN -0.000 nan 8.240 nan 0.000 0.510 35 R N 0.860 121.166 120.500 -0.323 0.000 2.388 35 R HA 0.562 4.902 4.340 -0.000 0.000 0.314 35 R C 1.157 177.152 176.300 -0.509 0.000 0.959 35 R CA -0.106 55.624 56.100 -0.615 0.000 0.851 35 R CB 1.372 31.021 30.300 -1.086 0.000 1.168 35 R HN 0.346 nan 8.270 nan 0.000 0.472 36 G N 2.670 111.333 108.800 -0.228 0.000 2.627 36 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.312 36 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.312 36 G C 0.131 175.010 174.900 -0.035 0.000 1.299 36 G CA 0.465 45.551 45.100 -0.023 0.000 0.989 36 G HN 0.654 nan 8.290 nan 0.000 0.547 37 D N 2.833 123.242 120.400 0.016 0.000 2.338 37 D HA 0.430 5.070 4.640 -0.000 0.000 0.239 37 D C 1.285 177.668 176.300 0.138 0.000 1.095 37 D CA 1.937 55.980 54.000 0.072 0.000 0.888 37 D CB -0.373 40.483 40.800 0.093 0.000 0.899 37 D HN 1.661 nan 8.370 nan 0.000 0.525 38 G N 0.197 108.991 108.800 -0.010 0.000 2.539 38 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.686 38 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.686 38 G C -0.949 173.822 174.900 -0.215 0.000 1.258 38 G CA -0.990 43.989 45.100 -0.202 0.000 0.846 38 G HN 0.122 nan 8.290 nan 0.000 0.647 39 I N 0.428 120.731 120.570 -0.445 0.000 2.406 39 I HA 0.636 4.806 4.170 -0.000 0.000 0.290 39 I C -0.649 175.253 176.117 -0.360 0.000 0.999 39 I CA -0.699 60.458 61.300 -0.238 0.000 1.124 39 I CB 1.568 39.390 38.000 -0.298 0.000 1.289 39 I HN 0.343 nan 8.210 nan 0.000 0.441 40 F N 3.037 123.103 119.950 0.193 0.000 2.529 40 F HA 0.483 5.010 4.527 -0.000 0.000 0.320 40 F C 0.094 176.003 175.800 0.183 0.000 1.118 40 F CA -0.633 57.457 58.000 0.151 0.000 0.915 40 F CB 2.270 41.355 39.000 0.142 0.000 1.161 40 F HN 0.199 nan 8.300 nan 0.000 0.445 41 T N 2.661 117.323 114.554 0.180 0.000 2.807 41 T HA 0.560 4.910 4.350 -0.000 0.000 0.279 41 T C -1.262 173.502 174.700 0.106 0.000 0.993 41 T CA -0.645 61.581 62.100 0.209 0.000 0.970 41 T CB 0.737 69.663 68.868 0.096 0.000 0.950 41 T HN 0.256 nan 8.240 nan 0.000 0.441 42 Y N 0.820 121.309 120.300 0.315 0.000 2.509 42 Y HA 0.497 5.047 4.550 -0.000 0.000 0.341 42 Y C 0.180 176.317 175.900 0.395 0.000 1.038 42 Y CA -1.382 56.916 58.100 0.329 0.000 1.089 42 Y CB 1.206 39.793 38.460 0.211 0.000 1.241 42 Y HN 0.467 nan 8.280 nan 0.000 0.468 43 D N 0.905 121.609 120.400 0.506 0.000 2.359 43 D HA 0.409 5.049 4.640 -0.000 0.000 0.230 43 D C 0.173 176.626 176.300 0.256 0.000 1.118 43 D CA -0.122 54.101 54.000 0.372 0.000 0.844 43 D CB 1.580 42.375 40.800 -0.008 0.000 1.059 43 D HN 0.681 nan 8.370 nan 0.000 0.493 44 A N 4.070 127.046 122.820 0.260 0.000 2.251 44 A HA 0.039 4.359 4.320 -0.000 0.000 0.209 44 A C 0.877 178.522 177.584 0.101 0.000 1.187 44 A CA 0.031 52.178 52.037 0.185 0.000 0.823 44 A CB -0.426 18.715 19.000 0.234 0.000 0.846 44 A HN 0.746 nan 8.150 nan 0.000 0.486 45 K N -1.902 118.525 120.400 0.045 0.000 3.012 45 K HA -0.301 4.019 4.320 -0.000 0.000 0.259 45 K C -0.438 176.095 176.600 -0.111 0.000 0.989 45 K CA 0.782 56.986 56.287 -0.138 0.000 0.728 45 K CB -2.446 30.015 32.500 -0.066 0.000 1.260 45 K HN 0.635 nan 8.250 nan 0.000 0.480 46 Y N -3.431 116.951 120.300 0.138 0.000 4.841 46 Y HA -0.336 4.214 4.550 -0.000 0.000 0.242 46 Y C 0.693 176.569 175.900 -0.042 0.000 1.002 46 Y CA 1.296 59.432 58.100 0.060 0.000 2.011 46 Y CB -2.051 36.444 38.460 0.058 0.000 1.554 46 Y HN 0.362 nan 8.280 nan 0.000 0.618 47 R N -0.369 120.166 120.500 0.058 0.000 2.843 47 R HA 0.669 5.009 4.340 -0.000 0.000 0.232 47 R C 1.272 177.445 176.300 -0.212 0.000 1.305 47 R CA 0.141 56.214 56.100 -0.046 0.000 1.096 47 R CB 0.677 30.977 30.300 -0.001 0.000 1.455 47 R HN 0.195 nan 8.270 nan 0.000 0.520 48 T N -3.345 111.087 114.554 -0.203 0.000 3.085 48 T HA 0.038 4.387 4.350 -0.000 0.000 0.264 48 T C 0.538 175.258 174.700 0.034 0.000 1.019 48 T CA -0.443 61.507 62.100 -0.251 0.000 0.910 48 T CB -0.082 68.625 68.868 -0.268 0.000 1.059 48 T HN 0.656 nan 8.240 nan 0.000 0.542 49 T N 1.502 116.066 114.554 0.017 0.000 2.869 49 T HA 0.683 5.033 4.350 -0.000 0.000 0.295 49 T C -0.246 174.484 174.700 0.050 0.000 0.987 49 T CA -0.748 61.372 62.100 0.033 0.000 1.109 49 T CB 1.017 69.890 68.868 0.009 0.000 0.932 49 T HN 0.284 nan 8.240 nan 0.000 0.518 50 L N 3.728 124.962 121.223 0.018 0.000 2.341 50 L HA 0.459 4.799 4.340 -0.000 0.000 0.267 50 L C -1.164 175.639 176.870 -0.111 0.000 1.009 50 L CA -2.275 52.545 54.840 -0.033 0.000 0.819 50 L CB 2.455 44.481 42.059 -0.055 0.000 1.323 50 L HN 0.544 nan 8.230 nan 0.000 0.425 51 P HA 0.194 nan 4.420 nan 0.000 0.240 51 P C 0.510 177.730 177.300 -0.134 0.000 1.190 51 P CA 0.585 63.493 63.100 -0.319 0.000 0.781 51 P CB 0.802 31.968 31.700 -0.890 0.000 0.931 52 G N -0.194 108.586 108.800 -0.034 0.000 2.451 52 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.208 52 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.208 52 G C -0.890 174.139 174.900 0.215 0.000 1.248 52 G CA -0.409 44.752 45.100 0.102 0.000 0.989 52 G HN 0.190 nan 8.290 nan 0.000 0.559 53 S N -0.130 115.725 115.700 0.259 0.000 2.489 53 S HA 0.573 5.043 4.470 -0.000 0.000 0.291 53 S C 0.257 175.046 174.600 0.315 0.000 1.151 53 S CA -0.376 57.967 58.200 0.239 0.000 1.082 53 S CB 1.532 64.768 63.200 0.059 0.000 1.019 53 S HN 1.154 nan 8.310 nan 0.000 0.492 54 L N 4.611 125.953 121.223 0.199 0.000 2.540 54 L HA 0.114 4.454 4.340 -0.000 0.000 0.276 54 L C -0.024 176.934 176.870 0.147 0.000 1.212 54 L CA 0.086 54.858 54.840 -0.114 0.000 0.893 54 L CB 0.105 42.095 42.059 -0.114 0.000 1.138 54 L HN 0.728 nan 8.230 nan 0.000 0.491 55 W N 6.916 128.209 121.300 -0.012 0.000 2.397 55 W HA 0.378 5.039 4.660 0.001 0.000 0.327 55 W C -0.539 176.035 176.519 0.091 0.000 1.421 55 W CA -0.147 57.237 57.345 0.064 0.000 1.288 55 W CB 0.482 29.959 29.460 0.028 0.000 1.312 55 W HN 0.745 nan 8.180 nan 0.000 0.559 56 A N 5.167 127.918 122.820 -0.116 0.000 2.342 56 A HA 0.493 4.813 4.320 -0.000 0.000 0.323 56 A C -1.450 176.040 177.584 -0.156 0.000 1.125 56 A CA -0.578 51.257 52.037 -0.338 0.000 0.785 56 A CB 1.661 20.207 19.000 -0.758 0.000 1.221 56 A HN 0.611 nan 8.150 nan 0.000 0.463 57 D N 0.818 121.252 120.400 0.058 0.000 2.732 57 D HA 0.607 5.247 4.640 -0.000 0.000 0.229 57 D C 0.662 177.125 176.300 0.273 0.000 1.152 57 D CA 0.162 54.231 54.000 0.114 0.000 0.854 57 D CB 1.984 42.738 40.800 -0.076 0.000 1.590 57 D HN 0.471 nan 8.370 nan 0.000 0.468 58 A N 2.406 125.362 122.820 0.227 0.000 1.970 58 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 58 A C 1.122 178.859 177.584 0.255 0.000 1.170 58 A CA 1.493 53.680 52.037 0.250 0.000 0.645 58 A CB -0.116 18.970 19.000 0.143 0.000 0.816 58 A HN 0.682 nan 8.150 nan 0.000 0.447 59 D N -3.722 116.720 120.400 0.069 0.000 2.503 59 D HA 0.084 4.724 4.640 -0.000 0.000 0.218 59 D C 0.317 176.370 176.300 -0.411 0.000 1.183 59 D CA 0.070 54.037 54.000 -0.055 0.000 0.827 59 D CB -0.587 40.176 40.800 -0.062 0.000 1.034 59 D HN 0.110 nan 8.370 nan 0.000 0.510 60 N N 0.278 118.622 118.700 -0.594 0.000 2.800 60 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 60 N C -1.143 174.175 175.510 -0.320 0.000 1.078 60 N CA 0.814 53.483 53.050 -0.636 0.000 0.804 60 N CB -0.841 36.954 38.487 -1.153 0.000 1.135 60 N HN 0.508 nan 8.380 nan 0.000 0.565 61 Q N -0.446 119.080 119.800 -0.457 0.000 2.321 61 Q HA 0.394 4.733 4.340 -0.000 0.000 0.270 61 Q C -0.789 174.967 176.000 -0.407 0.000 1.032 61 Q CA -0.386 55.312 55.803 -0.175 0.000 0.784 61 Q CB 0.967 29.759 28.738 0.090 0.000 1.264 61 Q HN 0.225 nan 8.270 nan 0.000 0.448 62 F N 1.794 121.592 119.950 -0.252 0.000 2.471 62 F HA 0.333 4.860 4.527 -0.000 0.000 0.318 62 F C 0.086 175.672 175.800 -0.356 0.000 1.308 62 F CA -0.332 57.533 58.000 -0.225 0.000 1.162 62 F CB 0.278 39.106 39.000 -0.287 0.000 1.383 62 F HN 0.510 nan 8.300 nan 0.000 0.552 63 F N 0.540 120.555 119.950 0.109 0.000 2.678 63 F HA 0.430 4.957 4.527 -0.000 0.000 0.305 63 F C 1.450 177.305 175.800 0.092 0.000 1.090 63 F CA -0.440 57.607 58.000 0.078 0.000 1.272 63 F CB -0.101 38.921 39.000 0.037 0.000 1.060 63 F HN 0.197 nan 8.300 nan 0.000 0.576 64 A N 0.304 123.279 122.820 0.257 0.000 2.407 64 A HA 0.331 4.651 4.320 -0.000 0.000 0.248 64 A C 1.537 179.268 177.584 0.245 0.000 1.082 64 A CA 0.379 52.559 52.037 0.238 0.000 0.785 64 A CB 0.217 19.365 19.000 0.248 0.000 1.020 64 A HN 0.336 nan 8.150 nan 0.000 0.489 65 S N 0.872 116.710 115.700 0.231 0.000 2.453 65 S HA -0.197 4.273 4.470 -0.000 0.000 0.231 65 S C 1.577 176.360 174.600 0.304 0.000 1.005 65 S CA 1.470 59.804 58.200 0.224 0.000 0.949 65 S CB -0.633 62.675 63.200 0.180 0.000 0.774 65 S HN 0.814 nan 8.310 nan 0.000 0.510 66 Y N 2.815 123.259 120.300 0.241 0.000 2.333 66 Y HA -0.074 4.476 4.550 0.000 0.000 0.290 66 Y C 1.435 177.638 175.900 0.505 0.000 1.144 66 Y CA 1.532 59.845 58.100 0.356 0.000 1.228 66 Y CB -0.368 38.243 38.460 0.251 0.000 0.985 66 Y HN 0.234 nan 8.280 nan 0.000 0.542 67 D N -0.192 120.469 120.400 0.435 0.000 2.224 67 D HA -0.110 4.530 4.640 -0.000 0.000 0.205 67 D C 2.311 178.543 176.300 -0.114 0.000 0.965 67 D CA 1.064 55.194 54.000 0.217 0.000 0.852 67 D CB -0.513 40.454 40.800 0.279 0.000 0.947 67 D HN 0.444 nan 8.370 nan 0.000 0.494 68 A N 2.014 124.816 122.820 -0.030 0.000 1.884 68 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 68 A C -0.221 177.233 177.584 -0.217 0.000 1.197 68 A CA 1.824 53.796 52.037 -0.107 0.000 0.637 68 A CB -1.639 17.350 19.000 -0.018 0.000 0.827 68 A HN 0.223 nan 8.150 nan 0.000 0.450 69 P HA -0.003 nan 4.420 nan 0.000 0.221 69 P C 1.519 178.567 177.300 -0.420 0.000 1.150 69 P CA 1.670 64.580 63.100 -0.317 0.000 0.800 69 P CB -0.137 31.346 31.700 -0.362 0.000 0.787 70 A N -0.302 122.176 122.820 -0.571 0.000 1.897 70 A HA -0.091 4.229 4.320 -0.000 0.000 0.215 70 A C 2.338 179.575 177.584 -0.578 0.000 1.181 70 A CA 1.410 53.022 52.037 -0.709 0.000 0.620 70 A CB -1.630 16.463 19.000 -1.512 0.000 0.821 70 A HN 0.002 nan 8.150 nan 0.000 0.443 71 V N 0.869 120.439 119.914 -0.572 0.000 2.282 71 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 71 V C 2.210 178.083 176.094 -0.368 0.000 1.057 71 V CA 2.482 64.486 62.300 -0.492 0.000 1.032 71 V CB -0.789 30.767 31.823 -0.444 0.000 0.645 71 V HN 0.505 nan 8.190 nan 0.000 0.447 72 D N 0.053 120.230 120.400 -0.371 0.000 2.117 72 D HA -0.075 4.565 4.640 -0.000 0.000 0.198 72 D C 2.234 178.369 176.300 -0.275 0.000 0.982 72 D CA 1.553 55.309 54.000 -0.407 0.000 0.828 72 D CB -0.372 40.276 40.800 -0.253 0.000 0.967 72 D HN 0.430 nan 8.370 nan 0.000 0.464 73 A N 0.311 122.962 122.820 -0.281 0.000 1.908 73 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 73 A C 2.057 179.614 177.584 -0.046 0.000 1.181 73 A CA 1.930 53.823 52.037 -0.241 0.000 0.627 73 A CB -0.808 18.012 19.000 -0.300 0.000 0.818 73 A HN 0.287 nan 8.150 nan 0.000 0.445 74 H N -2.540 116.417 119.070 -0.189 0.000 2.333 74 H HA -0.118 4.438 4.556 0.000 0.000 0.302 74 H C 1.847 177.109 175.328 -0.110 0.000 1.075 74 H CA 2.034 57.991 56.048 -0.151 0.000 1.348 74 H CB -0.418 29.185 29.762 -0.265 0.000 1.393 74 H HN 0.547 nan 8.280 nan 0.000 0.509 75 Y N -0.354 119.787 120.300 -0.266 0.000 2.145 75 Y HA -0.289 4.261 4.550 -0.000 0.000 0.286 75 Y C 1.618 177.404 175.900 -0.190 0.000 1.145 75 Y CA 1.771 59.681 58.100 -0.316 0.000 1.148 75 Y CB -0.402 37.782 38.460 -0.459 0.000 0.981 75 Y HN 0.237 nan 8.280 nan 0.000 0.507 76 Y N -0.557 119.783 120.300 0.067 0.000 2.373 76 Y HA -0.024 4.526 4.550 -0.000 0.000 0.293 76 Y C 2.497 178.397 175.900 -0.001 0.000 1.129 76 Y CA 0.465 58.582 58.100 0.029 0.000 1.226 76 Y CB -1.231 37.270 38.460 0.067 0.000 1.000 76 Y HN 0.236 nan 8.280 nan 0.000 0.549 77 A N 0.207 123.103 122.820 0.127 0.000 1.902 77 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 77 A C 2.657 180.272 177.584 0.053 0.000 1.181 77 A CA 1.698 53.804 52.037 0.114 0.000 0.623 77 A CB -1.400 17.652 19.000 0.087 0.000 0.818 77 A HN 0.437 nan 8.150 nan 0.000 0.443 78 G N -0.259 108.467 108.800 -0.123 0.000 2.459 78 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 78 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 78 G C 1.532 176.423 174.900 -0.014 0.000 1.183 78 G CA 1.446 46.450 45.100 -0.160 0.000 0.776 78 G HN 0.338 nan 8.290 nan 0.000 0.552 79 V N 1.049 120.923 119.914 -0.067 0.000 2.287 79 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 79 V C 3.164 179.377 176.094 0.198 0.000 1.053 79 V CA 2.454 64.804 62.300 0.084 0.000 1.027 79 V CB -1.132 30.762 31.823 0.120 0.000 0.646 79 V HN 0.418 nan 8.190 nan 0.000 0.447 80 T N -0.906 113.763 114.554 0.191 0.000 2.746 80 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 80 T C 1.758 176.637 174.700 0.300 0.000 1.039 80 T CA 2.085 64.320 62.100 0.225 0.000 1.142 80 T CB -0.414 68.598 68.868 0.239 0.000 0.866 80 T HN 0.604 nan 8.240 nan 0.000 0.444 81 Y N 2.346 122.736 120.300 0.150 0.000 2.181 81 Y HA -0.170 4.380 4.550 -0.000 0.000 0.288 81 Y C 1.906 177.854 175.900 0.080 0.000 1.146 81 Y CA 1.402 59.577 58.100 0.126 0.000 1.164 81 Y CB -0.403 38.083 38.460 0.042 0.000 0.982 81 Y HN 0.119 nan 8.280 nan 0.000 0.515 82 D N -0.780 119.781 120.400 0.269 0.000 2.117 82 D HA -0.230 4.410 4.640 -0.000 0.000 0.197 82 D C 1.906 178.152 176.300 -0.090 0.000 0.987 82 D CA 1.671 55.763 54.000 0.153 0.000 0.829 82 D CB -0.904 40.043 40.800 0.245 0.000 0.961 82 D HN 0.511 nan 8.370 nan 0.000 0.460 83 Y N 0.569 120.670 120.300 -0.330 0.000 2.097 83 Y HA -0.340 4.210 4.550 -0.000 0.000 0.282 83 Y C 2.119 177.672 175.900 -0.579 0.000 1.152 83 Y CA 1.645 59.247 58.100 -0.829 0.000 1.136 83 Y CB -0.768 37.225 38.460 -0.779 0.000 0.975 83 Y HN -0.037 nan 8.280 nan 0.000 0.498 84 Y N 0.682 120.754 120.300 -0.380 0.000 2.224 84 Y HA -0.220 4.330 4.550 -0.000 0.000 0.289 84 Y C 2.707 178.320 175.900 -0.478 0.000 1.146 84 Y CA 2.111 59.961 58.100 -0.418 0.000 1.182 84 Y CB -0.477 37.838 38.460 -0.241 0.000 0.983 84 Y HN 0.164 nan 8.280 nan 0.000 0.524 85 K N -0.056 120.142 120.400 -0.338 0.000 2.007 85 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 85 K C 1.740 178.174 176.600 -0.278 0.000 1.047 85 K CA 1.449 57.545 56.287 -0.317 0.000 0.937 85 K CB -0.065 32.234 32.500 -0.333 0.000 0.718 85 K HN 0.198 nan 8.250 nan 0.000 0.438 86 N N 0.397 118.924 118.700 -0.290 0.000 2.142 86 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 86 N C 1.821 177.121 175.510 -0.349 0.000 1.023 86 N CA 1.250 54.160 53.050 -0.233 0.000 0.852 86 N CB -0.172 38.248 38.487 -0.110 0.000 0.998 86 N HN 0.033 nan 8.380 nan 0.000 0.424 87 V N 0.240 119.777 119.914 -0.629 0.000 2.446 87 V HA -0.058 4.062 4.120 -0.000 0.000 0.244 87 V C 1.259 176.805 176.094 -0.914 0.000 1.039 87 V CA 1.228 63.020 62.300 -0.847 0.000 1.045 87 V CB -0.304 30.732 31.823 -1.311 0.000 0.681 87 V HN 0.381 nan 8.190 nan 0.000 0.459 88 H N -1.013 117.707 119.070 -0.584 0.000 2.893 88 H HA 0.314 4.870 4.556 -0.000 0.000 0.270 88 H C 0.622 175.714 175.328 -0.394 0.000 1.095 88 H CA -0.118 55.570 56.048 -0.601 0.000 1.186 88 H CB 0.220 29.311 29.762 -1.119 0.000 1.562 88 H HN 0.409 nan 8.280 nan 0.000 0.536 89 N N 1.256 119.814 118.700 -0.236 0.000 2.747 89 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 89 N C 0.033 175.471 175.510 -0.120 0.000 1.107 89 N CA 0.286 53.244 53.050 -0.153 0.000 0.707 89 N CB -0.410 38.017 38.487 -0.101 0.000 1.054 89 N HN 0.401 nan 8.380 nan 0.000 0.555 90 R N 1.108 121.524 120.500 -0.139 0.000 2.387 90 R HA 0.418 4.758 4.340 -0.000 0.000 0.314 90 R C -0.238 175.935 176.300 -0.212 0.000 0.958 90 R CA -0.511 55.523 56.100 -0.109 0.000 0.846 90 R CB 0.760 31.037 30.300 -0.038 0.000 1.147 90 R HN 0.096 nan 8.270 nan 0.000 0.447 91 L N 4.332 125.437 121.223 -0.197 0.000 2.282 91 L HA 0.230 4.570 4.340 -0.000 0.000 0.287 91 L C 0.487 177.211 176.870 -0.244 0.000 1.075 91 L CA -0.023 54.680 54.840 -0.228 0.000 0.839 91 L CB 0.880 42.876 42.059 -0.104 0.000 1.219 91 L HN 0.955 nan 8.230 nan 0.000 0.434 92 S N 1.755 117.257 115.700 -0.330 0.000 3.585 92 S HA -0.287 4.183 4.470 -0.000 0.000 0.638 92 S C 0.821 175.210 174.600 -0.352 0.000 2.340 92 S CA 1.068 59.134 58.200 -0.224 0.000 2.517 92 S CB -0.385 62.696 63.200 -0.199 0.000 0.329 92 S HN 0.729 nan 8.310 nan 0.000 1.795 93 Y N 0.983 121.117 120.300 -0.276 0.000 2.439 93 Y HA 0.167 4.717 4.550 -0.000 0.000 0.292 93 Y C 1.835 177.454 175.900 -0.468 0.000 1.130 93 Y CA 1.309 59.164 58.100 -0.409 0.000 1.254 93 Y CB -0.530 37.680 38.460 -0.417 0.000 1.000 93 Y HN 0.614 nan 8.280 nan 0.000 0.554 94 D N -0.482 119.425 120.400 -0.822 0.000 2.339 94 D HA 0.131 4.771 4.640 -0.000 0.000 0.217 94 D C 1.822 177.909 176.300 -0.355 0.000 1.050 94 D CA 0.576 54.125 54.000 -0.752 0.000 0.856 94 D CB -0.103 40.082 40.800 -1.026 0.000 0.922 94 D HN 0.515 nan 8.370 nan 0.000 0.518 95 G N 1.097 109.714 108.800 -0.305 0.000 2.184 95 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.264 95 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.264 95 G C 0.581 175.386 174.900 -0.158 0.000 0.975 95 G CA 0.366 45.356 45.100 -0.183 0.000 0.642 95 G HN 0.524 nan 8.290 nan 0.000 0.536 96 N N 0.507 119.084 118.700 -0.205 0.000 2.377 96 N HA 0.178 4.918 4.740 -0.000 0.000 0.259 96 N C 0.552 175.982 175.510 -0.133 0.000 1.332 96 N CA 0.317 53.284 53.050 -0.138 0.000 0.877 96 N CB -0.600 37.823 38.487 -0.107 0.000 1.299 96 N HN 0.443 nan 8.380 nan 0.000 0.501 97 N N -0.501 118.113 118.700 -0.143 0.000 2.747 97 N HA -0.204 4.536 4.740 -0.000 0.000 0.249 97 N C -0.558 174.886 175.510 -0.109 0.000 1.107 97 N CA 0.364 53.378 53.050 -0.060 0.000 0.707 97 N CB -0.814 37.679 38.487 0.011 0.000 1.054 97 N HN 0.396 nan 8.380 nan 0.000 0.555 98 A N 0.382 123.027 122.820 -0.291 0.000 2.561 98 A HA 0.443 4.763 4.320 -0.000 0.000 0.234 98 A C 1.020 178.549 177.584 -0.093 0.000 1.055 98 A CA 0.638 52.502 52.037 -0.289 0.000 0.756 98 A CB 0.257 18.842 19.000 -0.691 0.000 0.986 98 A HN 0.519 nan 8.150 nan 0.000 0.505 99 A N 2.220 125.105 122.820 0.107 0.000 2.462 99 A HA 0.489 4.809 4.320 -0.000 0.000 0.243 99 A C 0.126 177.957 177.584 0.411 0.000 1.076 99 A CA -0.019 52.195 52.037 0.294 0.000 0.773 99 A CB -0.142 19.075 19.000 0.362 0.000 1.010 99 A HN 0.746 nan 8.150 nan 0.000 0.493 100 I N 2.516 123.351 120.570 0.442 0.000 2.339 100 I HA 0.343 4.513 4.170 -0.000 0.000 0.290 100 I C 0.358 176.768 176.117 0.488 0.000 0.994 100 I CA -0.068 61.523 61.300 0.485 0.000 1.191 100 I CB 1.092 39.317 38.000 0.376 0.000 1.343 100 I HN 0.683 nan 8.210 nan 0.000 0.458 101 R N 4.165 124.939 120.500 0.456 0.000 2.740 101 R HA 0.746 5.086 4.340 -0.000 0.000 0.282 101 R C -1.059 175.456 176.300 0.359 0.000 0.969 101 R CA -0.737 55.642 56.100 0.466 0.000 0.918 101 R CB 2.428 32.942 30.300 0.356 0.000 1.175 101 R HN 0.523 nan 8.270 nan 0.000 0.464 102 S N 0.364 116.316 115.700 0.418 0.000 2.540 102 S HA 0.471 4.941 4.470 -0.000 0.000 0.275 102 S C -1.067 173.754 174.600 0.369 0.000 1.123 102 S CA -0.820 57.583 58.200 0.338 0.000 0.907 102 S CB 2.231 65.691 63.200 0.433 0.000 1.081 102 S HN 0.488 nan 8.310 nan 0.000 0.476 103 S N 1.519 117.353 115.700 0.224 0.000 2.503 103 S HA 0.782 5.252 4.470 -0.000 0.000 0.301 103 S C -0.031 174.728 174.600 0.266 0.000 1.087 103 S CA -0.791 57.566 58.200 0.261 0.000 1.042 103 S CB 1.526 64.807 63.200 0.136 0.000 1.043 103 S HN 0.743 nan 8.310 nan 0.000 0.489 104 V N -0.183 119.888 119.914 0.262 0.000 3.166 104 V HA 0.661 4.781 4.120 -0.000 0.000 0.317 104 V C 0.011 176.204 176.094 0.166 0.000 1.136 104 V CA -0.767 61.617 62.300 0.141 0.000 1.035 104 V CB 0.686 32.443 31.823 -0.110 0.000 1.110 104 V HN 0.984 nan 8.190 nan 0.000 0.450 105 H N -1.348 117.839 119.070 0.195 0.000 2.791 105 H HA -0.215 4.341 4.556 0.000 0.000 0.302 105 H C -0.502 174.977 175.328 0.252 0.000 1.198 105 H CA 1.226 57.379 56.048 0.174 0.000 1.145 105 H CB -1.752 27.954 29.762 -0.093 0.000 1.385 105 H HN 0.939 nan 8.280 nan 0.000 0.409 106 Y N 1.161 121.596 120.300 0.225 0.000 2.436 106 Y HA 0.338 4.889 4.550 0.001 0.000 0.336 106 Y C 1.087 177.071 175.900 0.140 0.000 1.049 106 Y CA 1.121 59.295 58.100 0.124 0.000 1.294 106 Y CB 0.578 39.040 38.460 0.003 0.000 1.179 106 Y HN 0.506 nan 8.280 nan 0.000 0.520 107 S N 3.569 119.020 115.700 -0.416 0.000 3.443 107 S HA -0.251 4.219 4.470 -0.000 0.000 0.635 107 S C -0.941 173.716 174.600 0.095 0.000 2.555 107 S CA 0.706 58.737 58.200 -0.281 0.000 2.778 107 S CB -0.626 62.278 63.200 -0.494 0.000 0.331 107 S HN 0.889 nan 8.310 nan 0.000 1.765 108 Q N 0.031 119.878 119.800 0.077 0.000 2.337 108 Q HA 0.512 4.851 4.340 -0.000 0.000 0.270 108 Q C 0.591 176.676 176.000 0.141 0.000 1.043 108 Q CA -0.073 55.772 55.803 0.069 0.000 0.794 108 Q CB 1.622 30.343 28.738 -0.029 0.000 1.281 108 Q HN 1.768 nan 8.270 nan 0.000 0.446 109 G N 1.886 110.778 108.800 0.153 0.000 2.321 109 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.287 109 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.287 109 G C -0.598 174.441 174.900 0.231 0.000 1.018 109 G CA 0.453 45.653 45.100 0.166 0.000 0.855 109 G HN 0.601 nan 8.290 nan 0.000 0.507 110 Y N 1.065 121.459 120.300 0.157 0.000 2.404 110 Y HA 0.427 4.977 4.550 -0.000 0.000 0.344 110 Y C 0.621 176.612 175.900 0.151 0.000 0.995 110 Y CA -1.289 56.920 58.100 0.182 0.000 1.201 110 Y CB 0.578 39.204 38.460 0.275 0.000 1.151 110 Y HN 0.129 nan 8.280 nan 0.000 0.517 111 N N 5.825 124.295 118.700 -0.384 0.000 3.052 111 N HA 0.063 4.803 4.740 -0.000 0.000 0.302 111 N C -0.864 174.293 175.510 -0.587 0.000 1.332 111 N CA 0.117 53.004 53.050 -0.273 0.000 1.129 111 N CB -0.447 38.105 38.487 0.109 0.000 1.436 111 N HN 0.621 nan 8.380 nan 0.000 0.536 112 N N -0.146 118.173 118.700 -0.636 0.000 3.116 112 N HA 0.645 5.385 4.740 -0.000 0.000 0.244 112 N C -1.882 173.626 175.510 -0.003 0.000 1.485 112 N CA -0.450 52.358 53.050 -0.404 0.000 0.884 112 N CB 1.656 39.928 38.487 -0.358 0.000 1.415 112 N HN 0.080 nan 8.380 nan 0.000 0.524 113 A N 0.258 123.131 122.820 0.089 0.000 2.594 113 A HA 0.819 5.139 4.320 -0.000 0.000 0.295 113 A C -1.812 175.882 177.584 0.184 0.000 1.071 113 A CA -0.526 51.535 52.037 0.041 0.000 0.685 113 A CB 0.773 19.735 19.000 -0.065 0.000 1.285 113 A HN 0.718 nan 8.150 nan 0.000 0.405 114 F N -1.824 118.027 119.950 -0.165 0.000 2.744 114 F HA 0.659 5.186 4.527 -0.000 0.000 0.311 114 F C -1.269 174.502 175.800 -0.048 0.000 1.144 114 F CA -1.365 56.605 58.000 -0.049 0.000 0.938 114 F CB 0.963 39.923 39.000 -0.067 0.000 1.292 114 F HN 0.821 nan 8.300 nan 0.000 0.444 115 W N 5.080 126.401 121.300 0.037 0.000 2.335 115 W HA 0.306 4.966 4.660 0.001 0.000 0.307 115 W C -0.469 176.062 176.519 0.020 0.000 1.117 115 W CA -0.568 56.744 57.345 -0.056 0.000 1.228 115 W CB 1.630 31.085 29.460 -0.008 0.000 1.240 115 W HN 0.842 nan 8.180 nan 0.000 0.468 116 N N 4.183 122.511 118.700 -0.619 0.000 2.268 116 N HA 0.128 4.868 4.740 -0.000 0.000 0.204 116 N C 1.082 176.170 175.510 -0.704 0.000 1.124 116 N CA 0.504 53.300 53.050 -0.422 0.000 0.838 116 N CB 0.298 38.682 38.487 -0.172 0.000 0.994 116 N HN 0.784 nan 8.380 nan 0.000 0.489 117 G N -1.128 106.829 108.800 -1.404 0.000 2.234 117 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.235 117 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.235 117 G C 0.797 175.275 174.900 -0.704 0.000 0.997 117 G CA 0.392 45.085 45.100 -0.678 0.000 0.623 117 G HN 0.445 nan 8.290 nan 0.000 0.514 118 S N -0.138 114.900 115.700 -1.103 0.000 2.691 118 S HA 0.409 4.879 4.470 -0.000 0.000 0.258 118 S C 0.274 174.415 174.600 -0.765 0.000 1.078 118 S CA 0.897 58.715 58.200 -0.638 0.000 1.000 118 S CB 1.012 64.020 63.200 -0.319 0.000 0.942 118 S HN 1.111 nan 8.310 nan 0.000 0.521 119 E N 0.030 119.577 120.200 -1.088 0.000 2.439 119 E HA 0.518 4.868 4.350 -0.000 0.000 0.279 119 E C -1.452 174.925 176.600 -0.372 0.000 1.077 119 E CA -0.946 55.177 56.400 -0.461 0.000 0.849 119 E CB 0.669 30.227 29.700 -0.236 0.000 1.408 119 E HN -0.036 nan 8.360 nan 0.000 0.457 120 M N 1.115 120.690 119.600 -0.042 0.000 2.314 120 M HA 0.496 4.976 4.480 -0.000 0.000 0.342 120 M C -0.985 175.039 176.300 -0.460 0.000 1.171 120 M CA -0.890 54.310 55.300 -0.166 0.000 1.098 120 M CB 1.743 34.354 32.600 0.019 0.000 1.559 120 M HN 0.383 nan 8.290 nan 0.000 0.459 121 V N 2.581 121.956 119.914 -0.898 0.000 2.686 121 V HA 0.454 4.574 4.120 -0.000 0.000 0.306 121 V C -1.607 173.912 176.094 -0.958 0.000 1.065 121 V CA -0.794 60.915 62.300 -0.985 0.000 0.894 121 V CB 1.866 32.645 31.823 -1.739 0.000 1.004 121 V HN 0.659 nan 8.190 nan 0.000 0.424 122 Y N 1.760 121.937 120.300 -0.205 0.000 2.391 122 Y HA 0.736 5.286 4.550 -0.000 0.000 0.341 122 Y C 0.789 176.774 175.900 0.141 0.000 0.965 122 Y CA -0.465 57.620 58.100 -0.026 0.000 1.067 122 Y CB 2.269 40.721 38.460 -0.012 0.000 1.199 122 Y HN 0.769 nan 8.280 nan 0.000 0.450 123 G N 0.912 109.972 108.800 0.432 0.000 2.562 123 G HA2 0.160 4.120 3.960 -0.000 0.000 0.275 123 G HA3 0.160 4.120 3.960 -0.000 0.000 0.275 123 G C 0.017 175.117 174.900 0.333 0.000 1.196 123 G CA -0.490 44.937 45.100 0.545 0.000 0.908 123 G HN 0.676 nan 8.290 nan 0.000 0.524 124 D N -0.362 120.239 120.400 0.335 0.000 2.350 124 D HA 0.236 4.876 4.640 -0.000 0.000 0.213 124 D C 1.563 177.996 176.300 0.222 0.000 1.031 124 D CA 1.233 55.390 54.000 0.263 0.000 0.861 124 D CB 0.330 41.336 40.800 0.344 0.000 0.926 124 D HN 0.909 nan 8.370 nan 0.000 0.520 125 G N 2.126 111.055 108.800 0.215 0.000 2.781 125 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.683 125 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.683 125 G C 0.085 175.101 174.900 0.194 0.000 1.390 125 G CA -0.005 45.226 45.100 0.219 0.000 0.850 125 G HN 0.172 nan 8.290 nan 0.000 0.557 126 D N -0.775 119.731 120.400 0.177 0.000 2.349 126 D HA 0.404 5.044 4.640 -0.000 0.000 0.214 126 D C 1.853 178.211 176.300 0.095 0.000 1.063 126 D CA 1.131 55.204 54.000 0.120 0.000 0.847 126 D CB -0.024 40.834 40.800 0.095 0.000 0.933 126 D HN 2.195 nan 8.370 nan 0.000 0.513 127 G N -0.069 108.798 108.800 0.112 0.000 2.199 127 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.254 127 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.254 127 G C 0.923 175.842 174.900 0.032 0.000 0.982 127 G CA 0.492 45.639 45.100 0.078 0.000 0.632 127 G HN 0.440 nan 8.290 nan 0.000 0.529 128 Q N -1.462 118.345 119.800 0.012 0.000 2.580 128 Q HA 0.104 4.444 4.340 -0.000 0.000 0.239 128 Q C 2.451 178.364 176.000 -0.145 0.000 0.873 128 Q CA 1.030 56.801 55.803 -0.053 0.000 0.951 128 Q CB 0.425 29.140 28.738 -0.038 0.000 1.172 128 Q HN 0.462 nan 8.270 nan 0.000 0.616 129 T N 0.013 114.494 114.554 -0.122 0.000 2.937 129 T HA 0.130 4.480 4.350 -0.000 0.000 0.260 129 T C -0.099 174.317 174.700 -0.474 0.000 1.051 129 T CA 0.855 62.769 62.100 -0.311 0.000 1.141 129 T CB 0.175 68.975 68.868 -0.113 0.000 0.879 129 T HN -0.034 nan 8.240 nan 0.000 0.459 130 F N -0.112 119.831 119.950 -0.012 0.000 2.645 130 F HA 0.558 5.085 4.527 -0.000 0.000 0.310 130 F C -0.492 175.334 175.800 0.044 0.000 1.102 130 F CA -1.869 56.157 58.000 0.043 0.000 0.952 130 F CB 1.538 40.593 39.000 0.091 0.000 1.326 130 F HN -0.072 nan 8.300 nan 0.000 0.456 131 I N -0.694 120.058 120.570 0.304 0.000 3.076 131 I HA 0.682 4.852 4.170 -0.000 0.000 0.313 131 I C -2.681 173.559 176.117 0.206 0.000 1.053 131 I CA -2.936 58.486 61.300 0.204 0.000 1.048 131 I CB 1.341 39.423 38.000 0.137 0.000 1.264 131 I HN 0.204 nan 8.210 nan 0.000 0.498 132 P HA 0.017 nan 4.420 nan 0.000 0.258 132 P C 0.346 177.696 177.300 0.082 0.000 1.172 132 P CA 0.275 63.438 63.100 0.106 0.000 0.762 132 P CB 0.352 32.083 31.700 0.052 0.000 0.764 133 L N 3.279 124.555 121.223 0.089 0.000 2.265 133 L HA -0.176 4.164 4.340 -0.000 0.000 0.215 133 L C 2.155 179.065 176.870 0.066 0.000 1.117 133 L CA 1.913 56.807 54.840 0.089 0.000 0.782 133 L CB -0.970 41.123 42.059 0.058 0.000 0.914 133 L HN 0.371 nan 8.230 nan 0.000 0.441 134 S N -1.314 114.307 115.700 -0.133 0.000 2.603 134 S HA -0.018 4.452 4.470 -0.000 0.000 0.229 134 S C 1.902 176.476 174.600 -0.043 0.000 0.972 134 S CA 0.503 58.466 58.200 -0.394 0.000 0.935 134 S CB -0.649 62.035 63.200 -0.860 0.000 0.769 134 S HN 0.391 nan 8.310 nan 0.000 0.536 135 G N 0.878 109.695 108.800 0.029 0.000 2.848 135 G HA2 0.384 4.344 3.960 -0.000 0.000 0.208 135 G HA3 0.384 4.344 3.960 -0.000 0.000 0.208 135 G C 0.476 175.454 174.900 0.130 0.000 1.152 135 G CA 0.075 45.250 45.100 0.126 0.000 0.789 135 G HN 0.664 nan 8.290 nan 0.000 0.531 136 G N 0.023 108.850 108.800 0.046 0.000 2.415 136 G HA2 0.423 4.383 3.960 -0.000 0.000 0.317 136 G HA3 0.423 4.383 3.960 -0.000 0.000 0.317 136 G C 0.673 175.448 174.900 -0.208 0.000 1.152 136 G CA -0.661 44.407 45.100 -0.053 0.000 0.956 136 G HN 0.138 nan 8.290 nan 0.000 0.458 137 I N 1.972 122.231 120.570 -0.519 0.000 2.361 137 I HA -0.150 4.020 4.170 -0.000 0.000 0.251 137 I C 2.173 178.127 176.117 -0.272 0.000 1.133 137 I CA 1.689 62.564 61.300 -0.709 0.000 1.413 137 I CB 0.197 37.587 38.000 -1.017 0.000 1.073 137 I HN 0.582 nan 8.210 nan 0.000 0.424 138 D N 0.353 120.645 120.400 -0.180 0.000 2.144 138 D HA -0.169 4.471 4.640 -0.000 0.000 0.200 138 D C 2.054 178.368 176.300 0.023 0.000 0.978 138 D CA 1.196 55.150 54.000 -0.076 0.000 0.833 138 D CB -0.927 39.827 40.800 -0.076 0.000 0.961 138 D HN 0.281 nan 8.370 nan 0.000 0.470 139 V N 0.608 120.536 119.914 0.023 0.000 2.307 139 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 139 V C 2.796 179.012 176.094 0.203 0.000 1.045 139 V CA 1.293 63.648 62.300 0.091 0.000 1.024 139 V CB -0.414 31.467 31.823 0.098 0.000 0.651 139 V HN 0.141 nan 8.190 nan 0.000 0.449 140 V N 0.363 120.392 119.914 0.191 0.000 2.295 140 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 140 V C 2.696 178.924 176.094 0.224 0.000 1.049 140 V CA 2.174 64.647 62.300 0.289 0.000 1.024 140 V CB -1.108 30.855 31.823 0.233 0.000 0.648 140 V HN 0.564 nan 8.190 nan 0.000 0.447 141 A N -0.833 122.069 122.820 0.136 0.000 1.969 141 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 141 A C 2.068 179.735 177.584 0.139 0.000 1.169 141 A CA 2.042 54.151 52.037 0.121 0.000 0.635 141 A CB -0.835 18.178 19.000 0.022 0.000 0.810 141 A HN 0.806 nan 8.150 nan 0.000 0.445 142 H N -0.290 118.804 119.070 0.040 0.000 2.321 142 H HA -0.110 4.446 4.556 -0.000 0.000 0.300 142 H C 1.952 177.251 175.328 -0.049 0.000 1.087 142 H CA 1.765 57.811 56.048 -0.004 0.000 1.319 142 H CB 0.110 29.888 29.762 0.028 0.000 1.379 142 H HN 0.367 nan 8.280 nan 0.000 0.501 143 E N 0.481 120.872 120.200 0.319 0.000 2.051 143 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 143 E C 2.342 178.985 176.600 0.072 0.000 0.991 143 E CA 0.742 57.325 56.400 0.305 0.000 0.799 143 E CB -0.540 29.317 29.700 0.262 0.000 0.748 143 E HN 0.417 nan 8.360 nan 0.000 0.449 144 L N 1.201 122.446 121.223 0.037 0.000 2.201 144 L HA -0.081 4.259 4.340 -0.000 0.000 0.212 144 L C 2.066 178.788 176.870 -0.247 0.000 1.105 144 L CA 1.598 56.367 54.840 -0.118 0.000 0.775 144 L CB -0.662 41.433 42.059 0.060 0.000 0.913 144 L HN 0.038 nan 8.230 nan 0.000 0.440 145 T N -1.785 112.688 114.554 -0.136 0.000 2.915 145 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 145 T C 1.690 176.220 174.700 -0.283 0.000 1.071 145 T CA 1.012 63.010 62.100 -0.171 0.000 1.132 145 T CB -0.374 68.474 68.868 -0.034 0.000 0.878 145 T HN 0.407 nan 8.240 nan 0.000 0.479 146 H N 1.137 120.037 119.070 -0.284 0.000 2.421 146 H HA 0.084 4.640 4.556 0.000 0.000 0.298 146 H C 2.555 177.547 175.328 -0.561 0.000 1.087 146 H CA 1.269 57.137 56.048 -0.299 0.000 1.330 146 H CB -0.479 29.183 29.762 -0.166 0.000 1.388 146 H HN 0.412 nan 8.280 nan 0.000 0.526 147 A N 0.506 122.750 122.820 -0.959 0.000 1.902 147 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 147 A C 2.854 180.232 177.584 -0.344 0.000 1.181 147 A CA 1.498 52.807 52.037 -1.212 0.000 0.623 147 A CB -0.817 16.930 19.000 -2.089 0.000 0.818 147 A HN 0.214 nan 8.150 nan 0.000 0.443 148 V N -0.201 119.516 119.914 -0.328 0.000 2.287 148 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 148 V C 2.754 178.794 176.094 -0.090 0.000 1.053 148 V CA 2.552 64.728 62.300 -0.206 0.000 1.027 148 V CB -1.308 30.268 31.823 -0.412 0.000 0.646 148 V HN 0.608 nan 8.190 nan 0.000 0.447 149 T N -0.621 113.877 114.554 -0.093 0.000 2.746 149 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 149 T C 1.672 176.381 174.700 0.015 0.000 1.039 149 T CA 1.629 63.719 62.100 -0.017 0.000 1.142 149 T CB -0.424 68.471 68.868 0.046 0.000 0.866 149 T HN 0.451 nan 8.240 nan 0.000 0.444 150 D N 0.294 120.705 120.400 0.018 0.000 2.133 150 D HA -0.086 4.554 4.640 -0.000 0.000 0.195 150 D C 1.468 177.705 176.300 -0.104 0.000 0.997 150 D CA 1.237 55.233 54.000 -0.007 0.000 0.840 150 D CB -0.283 40.541 40.800 0.040 0.000 0.947 150 D HN 0.487 nan 8.370 nan 0.000 0.452 151 Y N -0.120 120.184 120.300 0.008 0.000 2.511 151 Y HA 0.022 4.572 4.550 -0.000 0.000 0.279 151 Y C 2.044 177.928 175.900 -0.025 0.000 1.157 151 Y CA 0.784 58.895 58.100 0.019 0.000 1.300 151 Y CB 0.220 38.705 38.460 0.043 0.000 1.052 151 Y HN 0.054 nan 8.280 nan 0.000 0.529 152 T N -4.670 109.918 114.554 0.056 0.000 2.709 152 T HA 0.342 4.692 4.350 -0.000 0.000 0.174 152 T C 2.142 176.826 174.700 -0.026 0.000 0.774 152 T CA 0.351 62.443 62.100 -0.014 0.000 1.309 152 T CB -0.746 68.069 68.868 -0.088 0.000 2.586 152 T HN -0.096 nan 8.240 nan 0.000 0.401 153 A N 1.120 123.922 122.820 -0.031 0.000 1.940 153 A HA 0.362 4.682 4.320 -0.000 0.000 0.219 153 A C 2.190 179.781 177.584 0.012 0.000 1.176 153 A CA 1.948 53.982 52.037 -0.005 0.000 0.631 153 A CB -1.777 17.233 19.000 0.017 0.000 0.814 153 A HN 2.100 nan 8.150 nan 0.000 0.446 154 G N -1.391 107.419 108.800 0.017 0.000 2.198 154 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.257 154 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.257 154 G C 0.013 174.946 174.900 0.054 0.000 1.042 154 G CA 0.206 45.318 45.100 0.020 0.000 0.791 154 G HN 0.555 nan 8.290 nan 0.000 0.502 155 L N 0.914 122.188 121.223 0.084 0.000 2.628 155 L HA 0.137 4.477 4.340 -0.000 0.000 0.274 155 L C 1.863 178.814 176.870 0.134 0.000 1.209 155 L CA -0.107 54.800 54.840 0.112 0.000 0.930 155 L CB 0.306 42.451 42.059 0.144 0.000 1.183 155 L HN 0.463 nan 8.230 nan 0.000 0.492 156 I N 1.955 122.592 120.570 0.111 0.000 2.692 156 I HA -0.112 4.058 4.170 -0.000 0.000 0.284 156 I C -0.081 176.139 176.117 0.172 0.000 1.159 156 I CA -0.184 61.190 61.300 0.124 0.000 1.423 156 I CB 0.415 38.465 38.000 0.083 0.000 1.380 156 I HN 0.509 nan 8.210 nan 0.000 0.580 157 Y N 6.544 126.864 120.300 0.032 0.000 3.103 157 Y HA 0.158 4.708 4.550 -0.000 0.000 0.389 157 Y C 0.314 176.236 175.900 0.037 0.000 1.082 157 Y CA -0.021 58.097 58.100 0.030 0.000 1.987 157 Y CB -0.615 37.848 38.460 0.005 0.000 2.096 157 Y HN 0.709 nan 8.280 nan 0.000 0.423 158 Q N -0.239 119.535 119.800 -0.044 0.000 2.522 158 Q HA 0.366 4.706 4.340 -0.000 0.000 0.285 158 Q C -0.505 175.468 176.000 -0.045 0.000 0.982 158 Q CA -1.033 54.732 55.803 -0.064 0.000 0.805 158 Q CB 1.276 30.018 28.738 0.006 0.000 1.457 158 Q HN 0.242 nan 8.270 nan 0.000 0.394 159 N N 0.836 119.512 118.700 -0.040 0.000 1.202 159 N HA -0.293 4.447 4.740 -0.000 0.000 0.108 159 N C 0.536 176.027 175.510 -0.032 0.000 0.816 159 N CA 1.520 54.548 53.050 -0.036 0.000 0.848 159 N CB -0.845 37.620 38.487 -0.036 0.000 0.972 159 N HN 0.894 nan 8.380 nan 0.000 0.645 160 E N 0.118 120.280 120.200 -0.063 0.000 2.110 160 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 160 E C 1.695 178.404 176.600 0.182 0.000 0.988 160 E CA 1.374 57.741 56.400 -0.055 0.000 0.804 160 E CB -0.154 29.395 29.700 -0.252 0.000 0.745 160 E HN 0.409 nan 8.360 nan 0.000 0.458 161 S N -0.434 115.332 115.700 0.111 0.000 2.402 161 S HA -0.074 4.396 4.470 -0.000 0.000 0.229 161 S C 1.878 176.554 174.600 0.126 0.000 1.021 161 S CA 0.984 59.268 58.200 0.141 0.000 0.974 161 S CB -0.157 63.104 63.200 0.101 0.000 0.800 161 S HN 0.438 nan 8.310 nan 0.000 0.484 162 G N 0.555 109.380 108.800 0.042 0.000 2.421 162 G HA2 0.031 3.991 3.960 -0.000 0.000 0.217 162 G HA3 0.031 3.991 3.960 -0.000 0.000 0.217 162 G C 1.498 176.355 174.900 -0.070 0.000 1.143 162 G CA 0.779 45.819 45.100 -0.101 0.000 0.784 162 G HN 0.557 nan 8.290 nan 0.000 0.541 163 A N 0.649 123.513 122.820 0.073 0.000 1.968 163 A HA 0.151 4.471 4.320 -0.000 0.000 0.217 163 A C 2.334 180.040 177.584 0.203 0.000 1.169 163 A CA 0.909 53.044 52.037 0.164 0.000 0.638 163 A CB -0.264 18.967 19.000 0.386 0.000 0.812 163 A HN 0.358 nan 8.150 nan 0.000 0.446 164 I N 0.111 120.842 120.570 0.267 0.000 2.179 164 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 164 I C 2.511 178.731 176.117 0.171 0.000 1.088 164 I CA 1.406 62.824 61.300 0.197 0.000 1.357 164 I CB -0.422 37.714 38.000 0.228 0.000 1.051 164 I HN 0.390 nan 8.210 nan 0.000 0.409 165 N N 0.966 119.780 118.700 0.189 0.000 2.061 165 N HA -0.242 4.498 4.740 -0.000 0.000 0.193 165 N C 1.779 177.425 175.510 0.228 0.000 1.030 165 N CA 1.694 54.886 53.050 0.238 0.000 0.856 165 N CB -0.099 38.590 38.487 0.337 0.000 1.023 165 N HN 0.256 nan 8.380 nan 0.000 0.424 166 E N 0.575 120.904 120.200 0.215 0.000 2.077 166 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 166 E C 1.887 178.543 176.600 0.092 0.000 0.989 166 E CA 1.048 57.558 56.400 0.183 0.000 0.800 166 E CB -0.538 29.196 29.700 0.057 0.000 0.746 166 E HN 0.475 nan 8.360 nan 0.000 0.452 167 A N 1.497 124.365 122.820 0.081 0.000 1.902 167 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 167 A C 2.232 179.815 177.584 -0.002 0.000 1.181 167 A CA 1.054 53.112 52.037 0.036 0.000 0.623 167 A CB -0.495 18.508 19.000 0.005 0.000 0.818 167 A HN 0.155 nan 8.150 nan 0.000 0.443 168 I N 0.058 120.658 120.570 0.050 0.000 2.163 168 I HA -0.207 3.963 4.170 -0.000 0.000 0.243 168 I C 2.581 178.749 176.117 0.085 0.000 1.085 168 I CA 1.854 63.231 61.300 0.127 0.000 1.347 168 I CB -1.389 36.740 38.000 0.215 0.000 1.044 168 I HN 0.240 nan 8.210 nan 0.000 0.408 169 S N 0.455 116.055 115.700 -0.166 0.000 2.382 169 S HA -0.165 4.305 4.470 -0.000 0.000 0.228 169 S C 1.570 176.053 174.600 -0.195 0.000 1.027 169 S CA 1.249 59.169 58.200 -0.466 0.000 0.991 169 S CB -0.177 62.124 63.200 -1.498 0.000 0.823 169 S HN 0.421 nan 8.310 nan 0.000 0.469 170 D N 1.261 121.659 120.400 -0.004 0.000 2.144 170 D HA 0.030 4.670 4.640 -0.000 0.000 0.200 170 D C 1.823 178.130 176.300 0.011 0.000 0.978 170 D CA 0.649 54.737 54.000 0.147 0.000 0.833 170 D CB -0.295 40.599 40.800 0.157 0.000 0.961 170 D HN 0.342 nan 8.370 nan 0.000 0.470 171 I N 0.023 120.538 120.570 -0.091 0.000 2.099 171 I HA -0.284 3.886 4.170 -0.000 0.000 0.239 171 I C 2.051 177.945 176.117 -0.370 0.000 1.066 171 I CA 1.010 62.148 61.300 -0.270 0.000 1.324 171 I CB -0.264 37.434 38.000 -0.503 0.000 1.037 171 I HN -0.094 nan 8.210 nan 0.000 0.401 172 F N 0.870 120.786 119.950 -0.057 0.000 2.234 172 F HA -0.063 4.464 4.527 -0.000 0.000 0.299 172 F C 2.481 178.177 175.800 -0.172 0.000 1.087 172 F CA 1.306 59.252 58.000 -0.090 0.000 1.340 172 F CB -1.182 37.840 39.000 0.036 0.000 1.031 172 F HN 0.018 nan 8.300 nan 0.000 0.500 173 G N -1.225 107.592 108.800 0.029 0.000 2.422 173 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 173 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 173 G C 1.762 176.600 174.900 -0.104 0.000 1.140 173 G CA 1.384 46.478 45.100 -0.010 0.000 0.775 173 G HN 0.280 nan 8.290 nan 0.000 0.545 174 T N 1.269 115.750 114.554 -0.122 0.000 2.777 174 T HA 0.016 4.366 4.350 -0.000 0.000 0.266 174 T C 2.432 177.029 174.700 -0.171 0.000 1.040 174 T CA 0.648 62.639 62.100 -0.183 0.000 1.141 174 T CB -0.166 68.570 68.868 -0.219 0.000 0.868 174 T HN 0.153 nan 8.240 nan 0.000 0.444 175 L N 0.742 121.825 121.223 -0.234 0.000 2.083 175 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 175 L C 2.601 179.287 176.870 -0.305 0.000 1.083 175 L CA 0.835 55.543 54.840 -0.221 0.000 0.752 175 L CB -0.706 41.225 42.059 -0.212 0.000 0.899 175 L HN 0.152 nan 8.230 nan 0.000 0.433 176 V N -0.060 119.555 119.914 -0.498 0.000 2.358 176 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 176 V C 2.489 178.502 176.094 -0.135 0.000 1.047 176 V CA 1.954 63.986 62.300 -0.447 0.000 1.035 176 V CB -0.438 31.134 31.823 -0.419 0.000 0.658 176 V HN 0.506 nan 8.190 nan 0.000 0.452 177 E N -0.294 119.803 120.200 -0.172 0.000 2.085 177 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 177 E C 2.055 178.535 176.600 -0.201 0.000 0.994 177 E CA 1.780 58.054 56.400 -0.211 0.000 0.801 177 E CB -0.190 29.331 29.700 -0.298 0.000 0.743 177 E HN 0.586 nan 8.360 nan 0.000 0.453 178 F N -0.589 119.255 119.950 -0.177 0.000 2.163 178 F HA -0.120 4.407 4.527 0.000 0.000 0.297 178 F C 2.206 177.994 175.800 -0.019 0.000 1.094 178 F CA 1.283 59.207 58.000 -0.126 0.000 1.290 178 F CB -0.562 38.338 39.000 -0.168 0.000 1.017 178 F HN 0.158 nan 8.300 nan 0.000 0.483 179 Y N 0.689 121.035 120.300 0.076 0.000 2.151 179 Y HA -0.267 4.283 4.550 -0.000 0.000 0.284 179 Y C 2.214 178.145 175.900 0.051 0.000 1.166 179 Y CA 1.487 59.633 58.100 0.077 0.000 1.163 179 Y CB -0.594 37.924 38.460 0.097 0.000 0.974 179 Y HN -0.024 nan 8.280 nan 0.000 0.511 180 A N -0.501 122.342 122.820 0.037 0.000 2.218 180 A HA 0.024 4.344 4.320 -0.000 0.000 0.209 180 A C 1.088 178.635 177.584 -0.062 0.000 1.168 180 A CA 0.738 52.742 52.037 -0.054 0.000 0.804 180 A CB -0.407 18.634 19.000 0.068 0.000 0.834 180 A HN 0.608 nan 8.150 nan 0.000 0.482 181 N N -0.711 117.954 118.700 -0.060 0.000 2.735 181 N HA -0.132 4.608 4.740 -0.000 0.000 0.248 181 N C -0.403 175.058 175.510 -0.082 0.000 1.083 181 N CA 0.748 53.757 53.050 -0.068 0.000 0.703 181 N CB -1.035 37.423 38.487 -0.047 0.000 1.005 181 N HN 0.559 nan 8.380 nan 0.000 0.550 182 K N 1.328 121.663 120.400 -0.108 0.000 2.265 182 K HA 0.133 4.453 4.320 -0.000 0.000 0.242 182 K C 0.063 176.574 176.600 -0.148 0.000 1.137 182 K CA -0.261 55.972 56.287 -0.090 0.000 1.082 182 K CB -0.392 32.069 32.500 -0.064 0.000 1.731 182 K HN 0.233 nan 8.250 nan 0.000 0.392 183 N N 2.541 121.160 118.700 -0.136 0.000 2.667 183 N HA -0.142 4.598 4.740 -0.000 0.000 0.263 183 N C -2.614 172.735 175.510 -0.268 0.000 1.038 183 N CA -0.014 52.945 53.050 -0.152 0.000 0.749 183 N CB -0.218 38.209 38.487 -0.100 0.000 0.892 183 N HN 0.333 nan 8.380 nan 0.000 0.546 184 P HA 0.238 nan 4.420 nan 0.000 0.274 184 P C -0.537 176.330 177.300 -0.723 0.000 1.231 184 P CA 0.303 62.885 63.100 -0.864 0.000 0.790 184 P CB 0.821 31.491 31.700 -1.717 0.000 0.951 185 D N -0.903 119.080 120.400 -0.696 0.000 2.779 185 D HA 0.291 4.931 4.640 -0.000 0.000 0.331 185 D C -1.207 174.961 176.300 -0.220 0.000 1.331 185 D CA -0.611 53.240 54.000 -0.249 0.000 0.866 185 D CB -0.023 40.735 40.800 -0.069 0.000 1.409 185 D HN 0.223 nan 8.370 nan 0.000 0.486 186 W N 0.157 121.528 121.300 0.118 0.000 3.015 186 W HA 0.332 4.992 4.660 -0.000 0.000 0.429 186 W C -0.213 176.335 176.519 0.048 0.000 0.976 186 W CA -0.377 57.049 57.345 0.136 0.000 2.086 186 W CB 0.628 30.199 29.460 0.185 0.000 1.125 186 W HN 0.057 nan 8.180 nan 0.000 0.721 187 E N 0.773 121.062 120.200 0.149 0.000 2.222 187 E HA 0.374 4.724 4.350 -0.000 0.000 0.267 187 E C -0.226 176.399 176.600 0.042 0.000 0.963 187 E CA -0.812 55.653 56.400 0.109 0.000 0.837 187 E CB 2.323 32.080 29.700 0.095 0.000 1.183 187 E HN -0.184 nan 8.360 nan 0.000 0.403 188 I N 0.831 121.417 120.570 0.027 0.000 2.330 188 I HA 0.256 4.426 4.170 -0.000 0.000 0.289 188 I C 1.148 177.232 176.117 -0.055 0.000 1.001 188 I CA -0.118 61.175 61.300 -0.012 0.000 1.193 188 I CB 0.297 38.298 38.000 0.002 0.000 1.345 188 I HN 0.813 nan 8.210 nan 0.000 0.461 189 G N 5.472 114.258 108.800 -0.024 0.000 2.143 189 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.249 189 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.249 189 G C 0.995 175.934 174.900 0.064 0.000 0.981 189 G CA 0.462 45.577 45.100 0.025 0.000 0.665 189 G HN 0.719 nan 8.290 nan 0.000 0.528 190 E N 0.867 121.085 120.200 0.031 0.000 2.160 190 E HA -0.160 4.189 4.350 -0.000 0.000 0.195 190 E C 1.285 177.932 176.600 0.079 0.000 0.991 190 E CA 1.701 58.139 56.400 0.064 0.000 0.810 190 E CB -0.414 29.308 29.700 0.038 0.000 0.742 190 E HN 0.423 nan 8.360 nan 0.000 0.466 191 D N 0.743 121.177 120.400 0.056 0.000 2.317 191 D HA -0.051 4.589 4.640 -0.000 0.000 0.211 191 D C 1.808 178.166 176.300 0.096 0.000 0.966 191 D CA 1.448 55.480 54.000 0.054 0.000 0.876 191 D CB 0.490 41.302 40.800 0.020 0.000 0.927 191 D HN 0.358 nan 8.370 nan 0.000 0.519 192 V N -2.986 117.027 119.914 0.166 0.000 3.432 192 V HA 0.245 4.365 4.120 -0.000 0.000 0.298 192 V C 0.089 176.365 176.094 0.304 0.000 1.464 192 V CA -0.688 61.755 62.300 0.237 0.000 1.046 192 V CB -0.698 31.300 31.823 0.292 0.000 0.887 192 V HN -0.119 nan 8.190 nan 0.000 0.441 193 Y N 3.630 123.937 120.300 0.012 0.000 2.313 193 Y HA 0.474 5.023 4.550 -0.000 0.000 0.332 193 Y C 1.228 176.986 175.900 -0.237 0.000 1.071 193 Y CA 0.100 58.032 58.100 -0.281 0.000 1.169 193 Y CB 0.816 39.114 38.460 -0.271 0.000 1.192 193 Y HN 0.596 nan 8.280 nan 0.000 0.487 194 T N 5.332 119.339 114.554 -0.911 0.000 3.044 194 T HA -0.140 4.210 4.350 -0.000 0.000 0.450 194 T C -1.940 172.580 174.700 -0.300 0.000 0.774 194 T CA 0.093 61.808 62.100 -0.642 0.000 2.290 194 T CB -1.146 67.241 68.868 -0.800 0.000 1.648 194 T HN 0.647 nan 8.240 nan 0.000 0.569 195 P HA -0.095 nan 4.420 nan 0.000 0.217 195 P C 1.905 179.160 177.300 -0.076 0.000 1.148 195 P CA 1.693 64.742 63.100 -0.084 0.000 0.828 195 P CB -0.529 31.147 31.700 -0.041 0.000 0.783 196 G N -0.712 108.029 108.800 -0.098 0.000 2.448 196 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.218 196 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.218 196 G C 0.715 175.572 174.900 -0.072 0.000 1.135 196 G CA 0.132 45.187 45.100 -0.074 0.000 0.784 196 G HN 0.265 nan 8.290 nan 0.000 0.543 197 I N 1.482 121.992 120.570 -0.101 0.000 2.339 197 I HA 0.271 4.441 4.170 -0.000 0.000 0.290 197 I C -0.274 175.815 176.117 -0.047 0.000 0.994 197 I CA -0.489 60.767 61.300 -0.074 0.000 1.191 197 I CB 1.993 39.934 38.000 -0.099 0.000 1.343 197 I HN -0.140 nan 8.210 nan 0.000 0.458 198 S N 3.542 119.232 115.700 -0.017 0.000 2.632 198 S HA 0.526 4.996 4.470 -0.000 0.000 0.271 198 S C 1.131 175.746 174.600 0.025 0.000 1.260 198 S CA 0.292 58.493 58.200 0.003 0.000 1.010 198 S CB 1.475 64.677 63.200 0.004 0.000 0.965 198 S HN 1.082 nan 8.310 nan 0.000 0.534 199 G N 1.373 110.196 108.800 0.040 0.000 2.212 199 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.266 199 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.266 199 G C -0.097 174.871 174.900 0.113 0.000 0.978 199 G CA 0.543 45.680 45.100 0.062 0.000 0.632 199 G HN 0.810 nan 8.290 nan 0.000 0.537 200 D N 0.216 120.694 120.400 0.130 0.000 2.539 200 D HA 0.784 5.424 4.640 -0.000 0.000 0.276 200 D C 0.547 176.966 176.300 0.199 0.000 1.206 200 D CA 0.206 54.342 54.000 0.226 0.000 1.081 200 D CB 1.149 42.080 40.800 0.218 0.000 1.142 200 D HN 1.154 nan 8.370 nan 0.000 0.595 201 S N -2.059 113.693 115.700 0.086 0.000 2.655 201 S HA 0.249 4.719 4.470 -0.000 0.000 0.266 201 S C 0.150 174.293 174.600 -0.761 0.000 1.149 201 S CA -0.766 57.353 58.200 -0.136 0.000 0.818 201 S CB 0.648 63.829 63.200 -0.032 0.000 1.130 201 S HN 0.287 nan 8.310 nan 0.000 0.476 202 L N 0.774 121.510 121.223 -0.812 0.000 2.068 202 L HA 0.463 4.803 4.340 -0.000 0.000 0.204 202 L C 0.939 177.442 176.870 -0.613 0.000 1.076 202 L CA 1.610 55.903 54.840 -0.911 0.000 0.753 202 L CB -0.547 41.172 42.059 -0.566 0.000 0.910 202 L HN 0.729 nan 8.230 nan 0.000 0.439 203 R N -1.987 118.329 120.500 -0.307 0.000 2.774 203 R HA 0.455 4.795 4.340 -0.000 0.000 0.272 203 R C -1.203 175.197 176.300 0.166 0.000 1.000 203 R CA -0.494 55.607 56.100 0.002 0.000 0.906 203 R CB 1.956 32.279 30.300 0.039 0.000 1.227 203 R HN -0.042 nan 8.270 nan 0.000 0.468 204 S N 1.416 117.282 115.700 0.277 0.000 2.502 204 S HA 0.335 4.805 4.470 -0.000 0.000 0.304 204 S C 0.611 175.259 174.600 0.081 0.000 1.097 204 S CA -0.610 57.701 58.200 0.185 0.000 1.045 204 S CB 1.245 64.511 63.200 0.110 0.000 1.019 204 S HN 0.653 nan 8.310 nan 0.000 0.481 205 M N 3.000 122.651 119.600 0.085 0.000 2.394 205 M HA 0.018 4.498 4.480 -0.000 0.000 0.266 205 M C 2.221 178.392 176.300 -0.215 0.000 1.098 205 M CA 0.812 56.139 55.300 0.044 0.000 1.149 205 M CB -0.269 32.484 32.600 0.256 0.000 1.369 205 M HN 0.791 nan 8.290 nan 0.000 0.450 206 S N -0.584 114.884 115.700 -0.386 0.000 2.406 206 S HA -0.083 4.387 4.470 -0.000 0.000 0.228 206 S C 0.666 174.870 174.600 -0.660 0.000 1.020 206 S CA 1.033 58.587 58.200 -1.077 0.000 0.965 206 S CB -0.065 62.573 63.200 -0.936 0.000 0.798 206 S HN 0.407 nan 8.310 nan 0.000 0.488 207 D N 0.974 121.172 120.400 -0.336 0.000 2.586 207 D HA 0.389 5.029 4.640 -0.000 0.000 0.254 207 D C -2.491 173.729 176.300 -0.134 0.000 1.248 207 D CA -2.050 51.815 54.000 -0.224 0.000 0.843 207 D CB 1.386 42.061 40.800 -0.208 0.000 1.332 207 D HN -0.080 nan 8.370 nan 0.000 0.523 208 P HA -0.110 nan 4.420 nan 0.000 0.216 208 P C 1.240 178.547 177.300 0.013 0.000 1.150 208 P CA 1.113 64.221 63.100 0.014 0.000 0.843 208 P CB 0.230 31.959 31.700 0.048 0.000 0.787 209 A N 0.224 123.043 122.820 -0.002 0.000 2.125 209 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 209 A C 2.235 179.774 177.584 -0.074 0.000 1.156 209 A CA 1.494 53.535 52.037 0.006 0.000 0.671 209 A CB -1.210 17.812 19.000 0.036 0.000 0.794 209 A HN 0.222 nan 8.150 nan 0.000 0.459 210 K N -1.376 118.906 120.400 -0.197 0.000 2.209 210 K HA -0.171 4.149 4.320 -0.000 0.000 0.204 210 K C 0.401 176.709 176.600 -0.488 0.000 1.048 210 K CA 1.561 57.609 56.287 -0.399 0.000 0.940 210 K CB -0.239 31.915 32.500 -0.577 0.000 0.729 210 K HN 0.524 nan 8.250 nan 0.000 0.451 211 Y N -0.570 119.733 120.300 0.006 0.000 2.636 211 Y HA 0.318 4.868 4.550 0.000 0.000 0.260 211 Y C 0.991 176.898 175.900 0.011 0.000 1.177 211 Y CA -0.229 57.875 58.100 0.007 0.000 1.209 211 Y CB 1.055 39.511 38.460 -0.006 0.000 1.166 211 Y HN 0.283 nan 8.280 nan 0.000 0.531 212 G N -0.027 108.830 108.800 0.095 0.000 2.143 212 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.249 212 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.249 212 G C -0.334 174.618 174.900 0.086 0.000 0.981 212 G CA 0.010 45.158 45.100 0.080 0.000 0.665 212 G HN 0.253 nan 8.290 nan 0.000 0.528 213 D N 1.224 121.686 120.400 0.102 0.000 2.253 213 D HA 0.483 5.123 4.640 -0.000 0.000 0.249 213 D C -1.957 174.412 176.300 0.116 0.000 1.049 213 D CA -1.283 52.779 54.000 0.104 0.000 0.929 213 D CB 1.455 42.325 40.800 0.116 0.000 1.176 213 D HN 0.123 nan 8.370 nan 0.000 0.437 214 P HA 0.081 nan 4.420 nan 0.000 0.269 214 P C -0.108 177.306 177.300 0.190 0.000 1.209 214 P CA -0.112 63.086 63.100 0.164 0.000 0.776 214 P CB 0.684 32.485 31.700 0.168 0.000 0.876 215 D N -0.780 119.780 120.400 0.266 0.000 2.563 215 D HA 0.098 4.738 4.640 -0.000 0.000 0.237 215 D C -0.049 176.563 176.300 0.520 0.000 1.282 215 D CA 0.067 54.265 54.000 0.330 0.000 0.816 215 D CB -0.272 40.733 40.800 0.341 0.000 1.066 215 D HN 0.400 nan 8.370 nan 0.000 0.501 216 H N -0.707 118.528 119.070 0.276 0.000 3.085 216 H HA 0.067 4.623 4.556 -0.000 0.000 0.356 216 H C -0.812 174.622 175.328 0.177 0.000 1.178 216 H CA -0.554 55.602 56.048 0.179 0.000 1.214 216 H CB 1.281 30.952 29.762 -0.152 0.000 1.881 216 H HN -0.172 nan 8.280 nan 0.000 0.538 217 Y N 3.091 123.255 120.300 -0.225 0.000 2.315 217 Y HA -0.246 4.304 4.550 -0.000 0.000 0.288 217 Y C 2.444 178.420 175.900 0.126 0.000 1.154 217 Y CA 2.438 60.547 58.100 0.016 0.000 1.229 217 Y CB 0.126 38.571 38.460 -0.025 0.000 0.980 217 Y HN 0.572 nan 8.280 nan 0.000 0.540 218 S N -0.977 114.937 115.700 0.356 0.000 2.507 218 S HA -0.099 4.371 4.470 -0.000 0.000 0.235 218 S C 1.412 176.039 174.600 0.045 0.000 0.988 218 S CA 0.874 59.177 58.200 0.172 0.000 0.944 218 S CB -0.314 62.985 63.200 0.164 0.000 0.762 218 S HN 0.490 nan 8.310 nan 0.000 0.526 219 K N 1.366 121.815 120.400 0.082 0.000 2.399 219 K HA 0.173 4.493 4.320 -0.000 0.000 0.204 219 K C 0.384 177.008 176.600 0.041 0.000 1.023 219 K CA -0.390 55.934 56.287 0.061 0.000 1.127 219 K CB 0.390 32.959 32.500 0.116 0.000 0.856 219 K HN 0.561 nan 8.250 nan 0.000 0.514 220 R N 0.309 120.775 120.500 -0.056 0.000 2.694 220 R HA 0.021 4.361 4.340 -0.000 0.000 0.268 220 R C -0.602 175.694 176.300 -0.006 0.000 1.061 220 R CA -0.411 55.656 56.100 -0.056 0.000 1.133 220 R CB 0.163 30.299 30.300 -0.274 0.000 1.020 220 R HN -0.071 nan 8.270 nan 0.000 0.475 221 Y N 2.046 122.310 120.300 -0.060 0.000 2.359 221 Y HA 0.098 4.648 4.550 -0.000 0.000 0.334 221 Y C 0.693 176.551 175.900 -0.070 0.000 1.058 221 Y CA 0.271 58.346 58.100 -0.042 0.000 1.244 221 Y CB 1.345 39.803 38.460 -0.005 0.000 1.187 221 Y HN 0.860 nan 8.280 nan 0.000 0.510 222 T N 1.381 115.517 114.554 -0.696 0.000 3.044 222 T HA 0.380 4.730 4.350 -0.000 0.000 0.260 222 T C 0.876 175.191 174.700 -0.641 0.000 1.019 222 T CA 0.157 61.941 62.100 -0.528 0.000 0.921 222 T CB -0.287 68.392 68.868 -0.315 0.000 1.053 222 T HN 0.724 nan 8.240 nan 0.000 0.533 223 G N 1.624 109.662 108.800 -1.271 0.000 2.504 223 G HA2 0.396 4.356 3.960 -0.000 0.000 0.257 223 G HA3 0.396 4.356 3.960 -0.000 0.000 0.257 223 G C 0.944 175.727 174.900 -0.195 0.000 1.451 223 G CA 0.436 45.130 45.100 -0.676 0.000 1.059 223 G HN 0.415 nan 8.290 nan 0.000 0.550 224 T N -3.191 111.422 114.554 0.098 0.000 2.975 224 T HA 0.260 4.610 4.350 -0.000 0.000 0.257 224 T C 0.913 175.728 174.700 0.192 0.000 1.003 224 T CA -0.012 62.164 62.100 0.126 0.000 0.932 224 T CB 0.058 68.960 68.868 0.057 0.000 1.087 224 T HN 0.399 nan 8.240 nan 0.000 0.512 225 Q N 1.420 121.389 119.800 0.282 0.000 2.524 225 Q HA 0.167 4.507 4.340 -0.000 0.000 0.246 225 Q C -0.046 176.028 176.000 0.123 0.000 1.063 225 Q CA 0.450 56.346 55.803 0.156 0.000 0.945 225 Q CB 0.188 28.977 28.738 0.085 0.000 1.292 225 Q HN 0.373 nan 8.270 nan 0.000 0.518 226 D N 1.097 121.541 120.400 0.073 0.000 2.708 226 D HA -0.245 4.395 4.640 -0.000 0.000 0.236 226 D C -0.928 175.428 176.300 0.093 0.000 1.146 226 D CA 1.239 55.292 54.000 0.089 0.000 0.662 226 D CB -1.598 39.236 40.800 0.055 0.000 1.059 226 D HN 0.874 nan 8.370 nan 0.000 0.428 227 N N -1.251 117.501 118.700 0.087 0.000 2.725 227 N HA -0.189 4.551 4.740 -0.000 0.000 0.249 227 N C 0.830 176.368 175.510 0.046 0.000 1.103 227 N CA 1.718 54.799 53.050 0.053 0.000 0.707 227 N CB -1.118 37.371 38.487 0.004 0.000 1.043 227 N HN 0.920 nan 8.380 nan 0.000 0.553 228 G N -1.892 106.982 108.800 0.123 0.000 2.132 228 G HA2 0.117 4.077 3.960 -0.000 0.000 0.228 228 G HA3 0.117 4.077 3.960 -0.000 0.000 0.228 228 G C 0.770 175.809 174.900 0.230 0.000 1.000 228 G CA 0.500 45.693 45.100 0.155 0.000 0.693 228 G HN 1.517 nan 8.290 nan 0.000 0.515 229 G N -1.899 107.029 108.800 0.213 0.000 2.212 229 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.255 229 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.255 229 G C 1.759 176.701 174.900 0.070 0.000 1.062 229 G CA 1.488 46.664 45.100 0.127 0.000 0.815 229 G HN 2.173 nan 8.290 nan 0.000 0.497 230 V N -3.258 116.640 119.914 -0.026 0.000 2.469 230 V HA -0.150 3.970 4.120 -0.000 0.000 0.251 230 V C 2.031 178.031 176.094 -0.157 0.000 1.064 230 V CA 2.630 64.826 62.300 -0.173 0.000 1.066 230 V CB -0.657 30.843 31.823 -0.538 0.000 0.667 230 V HN 0.531 nan 8.190 nan 0.000 0.461 231 H N -0.723 118.362 119.070 0.025 0.000 2.548 231 H HA 0.408 4.964 4.556 0.000 0.000 0.265 231 H C 1.823 177.181 175.328 0.050 0.000 0.969 231 H CA 1.154 57.241 56.048 0.064 0.000 1.155 231 H CB 0.130 29.928 29.762 0.060 0.000 1.394 231 H HN 0.445 nan 8.280 nan 0.000 0.570 232 I N -0.281 120.365 120.570 0.126 0.000 2.681 232 I HA -0.101 4.069 4.170 -0.000 0.000 0.247 232 I C 1.396 177.597 176.117 0.141 0.000 1.091 232 I CA 0.290 61.644 61.300 0.090 0.000 1.442 232 I CB 0.088 38.078 38.000 -0.018 0.000 1.219 232 I HN 0.122 nan 8.210 nan 0.000 0.451 233 N N 1.078 119.884 118.700 0.177 0.000 2.520 233 N HA -0.104 4.636 4.740 -0.000 0.000 0.185 233 N C 1.864 177.560 175.510 0.310 0.000 1.068 233 N CA 1.313 54.525 53.050 0.270 0.000 0.911 233 N CB -0.267 38.398 38.487 0.297 0.000 0.961 233 N HN 0.361 nan 8.380 nan 0.000 0.446 234 S N -0.624 115.200 115.700 0.207 0.000 2.442 234 S HA -0.051 4.419 4.470 -0.000 0.000 0.236 234 S C 2.108 176.769 174.600 0.102 0.000 1.007 234 S CA 0.932 59.220 58.200 0.146 0.000 0.965 234 S CB -0.787 62.482 63.200 0.114 0.000 0.773 234 S HN 0.324 nan 8.310 nan 0.000 0.504 235 G N 2.141 111.016 108.800 0.125 0.000 2.450 235 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.220 235 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.220 235 G C 1.315 176.256 174.900 0.067 0.000 1.130 235 G CA 0.979 46.136 45.100 0.095 0.000 0.760 235 G HN 0.595 nan 8.290 nan 0.000 0.557 236 I N 0.741 121.377 120.570 0.111 0.000 2.179 236 I HA -0.132 4.038 4.170 -0.000 0.000 0.242 236 I C 2.487 178.559 176.117 -0.074 0.000 1.088 236 I CA 0.592 61.945 61.300 0.088 0.000 1.357 236 I CB -0.134 38.023 38.000 0.261 0.000 1.051 236 I HN 0.073 nan 8.210 nan 0.000 0.409 237 I N 0.777 121.253 120.570 -0.157 0.000 2.252 237 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 237 I C 2.186 178.198 176.117 -0.175 0.000 1.102 237 I CA 1.419 62.585 61.300 -0.224 0.000 1.385 237 I CB -1.666 36.193 38.000 -0.235 0.000 1.064 237 I HN 0.301 nan 8.210 nan 0.000 0.414 238 N N 1.491 120.133 118.700 -0.097 0.000 2.069 238 N HA -0.231 4.508 4.740 -0.000 0.000 0.191 238 N C 1.832 177.289 175.510 -0.088 0.000 1.031 238 N CA 1.332 54.340 53.050 -0.069 0.000 0.852 238 N CB -0.382 38.111 38.487 0.010 0.000 1.018 238 N HN 0.280 nan 8.380 nan 0.000 0.423 239 K N 1.234 121.570 120.400 -0.106 0.000 2.032 239 K HA 0.008 4.328 4.320 -0.000 0.000 0.209 239 K C 1.843 178.330 176.600 -0.188 0.000 1.048 239 K CA 1.465 57.659 56.287 -0.155 0.000 0.927 239 K CB -0.696 31.693 32.500 -0.186 0.000 0.712 239 K HN 0.119 nan 8.250 nan 0.000 0.441 240 A N 0.637 123.300 122.820 -0.261 0.000 1.892 240 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 240 A C 2.426 179.826 177.584 -0.308 0.000 1.188 240 A CA 2.525 54.325 52.037 -0.396 0.000 0.631 240 A CB -1.334 17.194 19.000 -0.787 0.000 0.822 240 A HN 0.478 nan 8.150 nan 0.000 0.447 241 A N -1.713 120.943 122.820 -0.272 0.000 1.933 241 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 241 A C 2.153 179.589 177.584 -0.245 0.000 1.175 241 A CA 1.751 53.629 52.037 -0.266 0.000 0.628 241 A CB -0.827 17.917 19.000 -0.427 0.000 0.814 241 A HN 0.829 nan 8.150 nan 0.000 0.444 242 Y N 0.453 120.521 120.300 -0.388 0.000 2.181 242 Y HA -0.157 4.393 4.550 -0.000 0.000 0.288 242 Y C 1.887 177.458 175.900 -0.548 0.000 1.146 242 Y CA 1.858 59.543 58.100 -0.691 0.000 1.164 242 Y CB -0.297 37.787 38.460 -0.628 0.000 0.982 242 Y HN 0.214 nan 8.280 nan 0.000 0.515 243 L N -0.415 120.575 121.223 -0.387 0.000 2.056 243 L HA -0.212 4.128 4.340 -0.000 0.000 0.207 243 L C 2.460 179.133 176.870 -0.328 0.000 1.078 243 L CA 1.378 56.002 54.840 -0.359 0.000 0.749 243 L CB -0.540 41.412 42.059 -0.178 0.000 0.901 243 L HN 0.259 nan 8.230 nan 0.000 0.433 244 I N -0.964 119.462 120.570 -0.239 0.000 2.208 244 I HA -0.347 3.823 4.170 -0.000 0.000 0.245 244 I C 2.824 178.831 176.117 -0.183 0.000 1.097 244 I CA 1.530 62.748 61.300 -0.137 0.000 1.363 244 I CB -0.257 37.742 38.000 -0.002 0.000 1.051 244 I HN 0.235 nan 8.210 nan 0.000 0.413 245 S N -0.192 115.340 115.700 -0.281 0.000 2.345 245 S HA -0.146 4.324 4.470 -0.000 0.000 0.219 245 S C 1.955 176.337 174.600 -0.364 0.000 1.031 245 S CA 1.157 59.197 58.200 -0.268 0.000 0.984 245 S CB 0.057 63.127 63.200 -0.217 0.000 0.874 245 S HN 0.360 nan 8.310 nan 0.000 0.451 246 Q N 0.093 119.499 119.800 -0.656 0.000 2.392 246 Q HA 0.331 4.671 4.340 -0.000 0.000 0.219 246 Q C 1.224 176.958 176.000 -0.444 0.000 0.895 246 Q CA 0.680 56.103 55.803 -0.633 0.000 0.929 246 Q CB 0.126 28.175 28.738 -1.149 0.000 1.077 246 Q HN 0.628 nan 8.270 nan 0.000 0.532 247 G N -0.202 108.347 108.800 -0.418 0.000 2.795 247 G HA2 0.184 4.144 3.960 -0.000 0.000 0.664 247 G HA3 0.184 4.144 3.960 -0.000 0.000 0.664 247 G C 0.024 174.808 174.900 -0.193 0.000 1.381 247 G CA -0.076 44.880 45.100 -0.239 0.000 0.853 247 G HN 0.724 nan 8.290 nan 0.000 0.545 248 G N -2.304 106.441 108.800 -0.092 0.000 2.369 248 G HA2 0.635 4.595 3.960 -0.000 0.000 0.293 248 G HA3 0.635 4.595 3.960 -0.000 0.000 0.293 248 G C -0.723 174.182 174.900 0.007 0.000 1.301 248 G CA 0.565 45.647 45.100 -0.029 0.000 0.913 248 G HN 1.783 nan 8.290 nan 0.000 0.540 249 T N 0.289 114.863 114.554 0.033 0.000 2.812 249 T HA 0.636 4.986 4.350 -0.000 0.000 0.282 249 T C -1.086 173.678 174.700 0.106 0.000 0.990 249 T CA -0.230 61.904 62.100 0.056 0.000 0.960 249 T CB 1.308 70.191 68.868 0.025 0.000 0.948 249 T HN 0.839 nan 8.240 nan 0.000 0.438 250 H N 1.745 120.821 119.070 0.010 0.000 2.689 250 H HA 0.359 4.915 4.556 -0.000 0.000 0.346 250 H C -0.776 174.615 175.328 0.104 0.000 1.037 250 H CA -0.903 55.143 56.048 -0.003 0.000 1.234 250 H CB 0.263 30.061 29.762 0.060 0.000 1.572 250 H HN 0.692 nan 8.280 nan 0.000 0.524 251 Y N 3.033 123.163 120.300 -0.285 0.000 3.491 251 Y HA -0.259 4.291 4.550 -0.000 0.000 0.215 251 Y C 1.671 177.527 175.900 -0.073 0.000 1.219 251 Y CA 1.669 59.639 58.100 -0.216 0.000 1.485 251 Y CB -1.573 36.723 38.460 -0.272 0.000 1.450 251 Y HN 1.117 nan 8.280 nan 0.000 0.603 252 G N -2.071 106.755 108.800 0.042 0.000 2.184 252 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.264 252 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.264 252 G C -0.072 174.866 174.900 0.064 0.000 0.975 252 G CA 0.037 45.165 45.100 0.046 0.000 0.642 252 G HN 0.668 nan 8.290 nan 0.000 0.536 253 V N 1.350 121.322 119.914 0.096 0.000 2.394 253 V HA 0.637 4.757 4.120 -0.000 0.000 0.282 253 V C 0.508 176.649 176.094 0.079 0.000 1.031 253 V CA -0.263 62.093 62.300 0.094 0.000 0.881 253 V CB 1.730 33.627 31.823 0.123 0.000 0.982 253 V HN 0.292 nan 8.190 nan 0.000 0.451 254 S N 3.794 119.524 115.700 0.050 0.000 2.480 254 S HA 0.658 5.128 4.470 -0.000 0.000 0.286 254 S C -0.321 174.290 174.600 0.018 0.000 1.180 254 S CA -0.499 57.719 58.200 0.030 0.000 1.075 254 S CB 1.517 64.726 63.200 0.016 0.000 0.996 254 S HN 0.496 nan 8.310 nan 0.000 0.487 255 V N 3.780 123.693 119.914 -0.001 0.000 2.531 255 V HA 0.387 4.507 4.120 -0.000 0.000 0.301 255 V C -0.257 175.807 176.094 -0.051 0.000 1.034 255 V CA -0.854 61.432 62.300 -0.024 0.000 0.865 255 V CB 1.778 33.577 31.823 -0.041 0.000 0.995 255 V HN 0.653 nan 8.190 nan 0.000 0.424 256 V N 3.607 123.491 119.914 -0.049 0.000 2.498 256 V HA 0.506 4.626 4.120 -0.000 0.000 0.279 256 V C 1.138 177.177 176.094 -0.092 0.000 1.048 256 V CA -0.075 62.186 62.300 -0.064 0.000 0.967 256 V CB 1.335 33.128 31.823 -0.050 0.000 0.988 256 V HN 1.006 nan 8.190 nan 0.000 0.473 257 G N 3.718 112.446 108.800 -0.119 0.000 2.442 257 G HA2 0.406 4.366 3.960 -0.000 0.000 0.249 257 G HA3 0.406 4.366 3.960 -0.000 0.000 0.249 257 G C 0.590 175.418 174.900 -0.121 0.000 1.263 257 G CA -0.281 44.727 45.100 -0.153 0.000 0.846 257 G HN 0.994 nan 8.290 nan 0.000 0.555 258 I N -0.279 120.219 120.570 -0.120 0.000 4.154 258 I HA 0.540 4.710 4.170 -0.000 0.000 0.334 258 I C 0.810 176.869 176.117 -0.096 0.000 1.371 258 I CA 0.065 61.297 61.300 -0.112 0.000 1.110 258 I CB -0.092 37.829 38.000 -0.133 0.000 1.085 258 I HN 0.926 nan 8.210 nan 0.000 0.398 259 G N 1.972 110.716 108.800 -0.094 0.000 2.662 259 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.686 259 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.686 259 G C 0.041 174.920 174.900 -0.035 0.000 1.271 259 G CA -0.191 44.866 45.100 -0.071 0.000 0.816 259 G HN 0.309 nan 8.290 nan 0.000 0.608 260 R N -0.050 120.427 120.500 -0.038 0.000 2.073 260 R HA -0.024 4.316 4.340 -0.000 0.000 0.234 260 R C 2.223 178.541 176.300 0.029 0.000 1.134 260 R CA 2.042 58.128 56.100 -0.024 0.000 0.952 260 R CB -0.308 29.890 30.300 -0.169 0.000 0.850 260 R HN 0.613 nan 8.270 nan 0.000 0.433 261 D N 0.479 120.896 120.400 0.027 0.000 2.116 261 D HA -0.168 4.472 4.640 -0.000 0.000 0.193 261 D C 1.659 178.036 176.300 0.129 0.000 0.998 261 D CA 1.445 55.489 54.000 0.074 0.000 0.836 261 D CB -0.058 40.772 40.800 0.050 0.000 0.951 261 D HN 0.217 nan 8.370 nan 0.000 0.449 262 K N -0.105 120.356 120.400 0.101 0.000 2.097 262 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 262 K C 2.091 178.820 176.600 0.215 0.000 1.050 262 K CA 0.238 56.616 56.287 0.153 0.000 0.938 262 K CB -0.190 32.303 32.500 -0.012 0.000 0.718 262 K HN 0.066 nan 8.250 nan 0.000 0.442 263 L N 1.306 122.629 121.223 0.166 0.000 1.990 263 L HA -0.139 4.201 4.340 -0.000 0.000 0.213 263 L C 2.171 179.245 176.870 0.340 0.000 1.072 263 L CA 2.265 57.247 54.840 0.238 0.000 0.755 263 L CB -1.051 41.080 42.059 0.120 0.000 0.889 263 L HN 0.190 nan 8.230 nan 0.000 0.432 264 G N -1.078 107.885 108.800 0.271 0.000 2.422 264 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 264 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 264 G C 1.693 176.966 174.900 0.621 0.000 1.146 264 G CA 0.948 46.307 45.100 0.430 0.000 0.769 264 G HN 0.431 nan 8.290 nan 0.000 0.547 265 K N -0.191 120.488 120.400 0.465 0.000 2.025 265 K HA 0.084 4.404 4.320 -0.000 0.000 0.207 265 K C 2.418 179.260 176.600 0.403 0.000 1.049 265 K CA 0.872 57.420 56.287 0.435 0.000 0.933 265 K CB -0.221 32.474 32.500 0.325 0.000 0.714 265 K HN 0.308 nan 8.250 nan 0.000 0.438 266 I N -0.137 120.655 120.570 0.370 0.000 2.179 266 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 266 I C 1.817 178.037 176.117 0.171 0.000 1.088 266 I CA 1.288 62.737 61.300 0.248 0.000 1.357 266 I CB -0.155 37.967 38.000 0.204 0.000 1.051 266 I HN 0.055 nan 8.210 nan 0.000 0.409 267 F N -0.508 119.613 119.950 0.286 0.000 2.186 267 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 267 F C 2.419 178.442 175.800 0.372 0.000 1.090 267 F CA 1.482 59.666 58.000 0.306 0.000 1.307 267 F CB -0.695 38.443 39.000 0.230 0.000 1.019 267 F HN 0.044 nan 8.300 nan 0.000 0.489 268 Y N 0.712 121.292 120.300 0.466 0.000 2.242 268 Y HA -0.181 4.369 4.550 -0.000 0.000 0.291 268 Y C 2.681 178.614 175.900 0.056 0.000 1.137 268 Y CA 1.629 59.816 58.100 0.146 0.000 1.181 268 Y CB -0.363 37.997 38.460 -0.166 0.000 0.989 268 Y HN -0.090 nan 8.280 nan 0.000 0.527 269 R N 0.167 120.757 120.500 0.150 0.000 2.066 269 R HA -0.141 4.199 4.340 -0.000 0.000 0.232 269 R C 2.392 178.675 176.300 -0.029 0.000 1.131 269 R CA 1.317 57.434 56.100 0.028 0.000 0.955 269 R CB -0.567 29.806 30.300 0.122 0.000 0.851 269 R HN 0.419 nan 8.270 nan 0.000 0.432 270 A N 1.199 124.050 122.820 0.052 0.000 1.883 270 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 270 A C 2.050 179.644 177.584 0.016 0.000 1.186 270 A CA 1.443 53.533 52.037 0.088 0.000 0.624 270 A CB -0.737 18.232 19.000 -0.052 0.000 0.822 270 A HN 0.402 nan 8.150 nan 0.000 0.444 271 L N 0.470 121.677 121.223 -0.026 0.000 2.012 271 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 271 L C 2.611 179.369 176.870 -0.188 0.000 1.073 271 L CA 3.123 57.919 54.840 -0.074 0.000 0.748 271 L CB -0.850 41.150 42.059 -0.098 0.000 0.891 271 L HN 0.569 nan 8.230 nan 0.000 0.431 272 T N -4.606 109.740 114.554 -0.347 0.000 3.054 272 T HA 0.006 4.356 4.350 -0.000 0.000 0.259 272 T C 1.576 176.105 174.700 -0.285 0.000 1.092 272 T CA 0.576 62.458 62.100 -0.364 0.000 1.121 272 T CB -0.033 68.500 68.868 -0.558 0.000 0.912 272 T HN 0.467 nan 8.240 nan 0.000 0.489 273 Q N -0.989 118.612 119.800 -0.331 0.000 2.391 273 Q HA 0.219 4.559 4.340 -0.000 0.000 0.243 273 Q C 0.801 176.499 176.000 -0.502 0.000 0.874 273 Q CA 0.508 56.012 55.803 -0.499 0.000 0.950 273 Q CB 0.440 28.690 28.738 -0.813 0.000 1.103 273 Q HN 0.605 nan 8.270 nan 0.000 0.544 274 Y N -0.074 120.182 120.300 -0.072 0.000 2.512 274 Y HA 0.283 4.833 4.550 -0.000 0.000 0.268 274 Y C 0.947 176.819 175.900 -0.047 0.000 1.102 274 Y CA -0.331 57.733 58.100 -0.060 0.000 1.261 274 Y CB 0.739 39.157 38.460 -0.071 0.000 1.250 274 Y HN -0.117 nan 8.280 nan 0.000 0.506 275 L N 1.140 122.419 121.223 0.093 0.000 2.436 275 L HA 0.370 4.710 4.340 -0.000 0.000 0.265 275 L C 0.650 177.543 176.870 0.040 0.000 1.168 275 L CA -0.190 54.689 54.840 0.065 0.000 0.815 275 L CB 0.936 43.032 42.059 0.063 0.000 1.109 275 L HN 0.136 nan 8.230 nan 0.000 0.462 276 T N -2.156 112.424 114.554 0.044 0.000 2.888 276 T HA 0.426 4.776 4.350 -0.000 0.000 0.288 276 T C -2.289 172.436 174.700 0.042 0.000 1.063 276 T CA -1.870 60.249 62.100 0.033 0.000 1.010 276 T CB 1.884 70.770 68.868 0.030 0.000 1.214 276 T HN 0.222 nan 8.240 nan 0.000 0.533 277 P HA -0.015 nan 4.420 nan 0.000 0.219 277 P C 1.223 178.555 177.300 0.054 0.000 1.146 277 P CA 1.292 64.418 63.100 0.044 0.000 0.808 277 P CB -0.171 31.549 31.700 0.032 0.000 0.779 278 T N -5.885 108.696 114.554 0.046 0.000 3.176 278 T HA 0.243 4.593 4.350 -0.000 0.000 0.263 278 T C 0.583 175.316 174.700 0.055 0.000 1.021 278 T CA -0.369 61.759 62.100 0.046 0.000 0.905 278 T CB -0.711 68.176 68.868 0.031 0.000 1.057 278 T HN -0.193 nan 8.240 nan 0.000 0.558 279 S N 3.925 119.665 115.700 0.067 0.000 2.552 279 S HA 0.268 4.738 4.470 -0.000 0.000 0.289 279 S C 0.601 175.268 174.600 0.112 0.000 1.304 279 S CA -0.496 57.750 58.200 0.077 0.000 1.063 279 S CB 0.080 63.330 63.200 0.083 0.000 0.848 279 S HN 0.878 nan 8.310 nan 0.000 0.499 280 N N 1.121 119.886 118.700 0.110 0.000 2.671 280 N HA 0.391 5.130 4.740 -0.000 0.000 0.303 280 N C 0.357 176.046 175.510 0.299 0.000 1.277 280 N CA -0.880 52.267 53.050 0.162 0.000 0.933 280 N CB -0.187 38.341 38.487 0.069 0.000 1.190 280 N HN 0.274 nan 8.380 nan 0.000 0.600 281 F N -0.599 119.383 119.950 0.054 0.000 2.171 281 F HA -0.074 4.452 4.527 -0.000 0.000 0.300 281 F C 2.667 178.426 175.800 -0.068 0.000 1.090 281 F CA 1.006 59.033 58.000 0.045 0.000 1.293 281 F CB -1.172 37.865 39.000 0.063 0.000 1.013 281 F HN 0.615 nan 8.300 nan 0.000 0.486 282 S N -0.591 115.167 115.700 0.097 0.000 2.383 282 S HA -0.205 4.265 4.470 -0.000 0.000 0.227 282 S C 1.959 176.505 174.600 -0.089 0.000 1.026 282 S CA 1.250 59.417 58.200 -0.055 0.000 0.981 282 S CB -0.181 62.977 63.200 -0.069 0.000 0.818 282 S HN 0.478 nan 8.310 nan 0.000 0.472 283 Q N 0.008 119.791 119.800 -0.028 0.000 2.167 283 Q HA -0.014 4.326 4.340 -0.000 0.000 0.202 283 Q C 2.147 178.092 176.000 -0.092 0.000 0.970 283 Q CA 1.349 57.121 55.803 -0.052 0.000 0.855 283 Q CB -0.271 28.463 28.738 -0.005 0.000 0.911 283 Q HN 0.534 nan 8.270 nan 0.000 0.438 284 L N 0.847 122.035 121.223 -0.059 0.000 2.083 284 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 284 L C 2.261 178.914 176.870 -0.361 0.000 1.083 284 L CA 1.782 56.562 54.840 -0.100 0.000 0.752 284 L CB -0.362 41.715 42.059 0.031 0.000 0.899 284 L HN 0.052 nan 8.230 nan 0.000 0.433 285 R N -0.366 119.790 120.500 -0.574 0.000 2.081 285 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 285 R C 2.142 178.100 176.300 -0.570 0.000 1.131 285 R CA 1.406 56.886 56.100 -1.033 0.000 0.960 285 R CB -0.428 29.318 30.300 -0.922 0.000 0.856 285 R HN 0.512 nan 8.270 nan 0.000 0.436 286 A N 0.718 123.319 122.820 -0.364 0.000 1.933 286 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 286 A C 2.339 179.734 177.584 -0.315 0.000 1.175 286 A CA 1.630 53.498 52.037 -0.282 0.000 0.628 286 A CB -0.663 18.211 19.000 -0.210 0.000 0.814 286 A HN 0.554 nan 8.150 nan 0.000 0.444 287 A N -0.184 122.461 122.820 -0.291 0.000 1.898 287 A HA 0.212 4.532 4.320 -0.000 0.000 0.216 287 A C 2.491 179.902 177.584 -0.288 0.000 1.181 287 A CA 1.923 53.786 52.037 -0.290 0.000 0.620 287 A CB -0.967 17.969 19.000 -0.107 0.000 0.819 287 A HN 1.028 nan 8.150 nan 0.000 0.442 288 A N -0.683 121.949 122.820 -0.314 0.000 1.930 288 A HA 0.043 4.363 4.320 -0.000 0.000 0.217 288 A C 2.194 179.659 177.584 -0.199 0.000 1.175 288 A CA 1.680 53.532 52.037 -0.307 0.000 0.627 288 A CB -0.758 18.033 19.000 -0.348 0.000 0.815 288 A HN 0.353 nan 8.150 nan 0.000 0.443 289 V N -0.268 119.512 119.914 -0.223 0.000 2.427 289 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 289 V C 2.713 178.716 176.094 -0.151 0.000 1.051 289 V CA 2.265 64.476 62.300 -0.149 0.000 1.048 289 V CB -0.558 31.168 31.823 -0.162 0.000 0.666 289 V HN 0.718 nan 8.190 nan 0.000 0.456 290 Q N 0.372 120.015 119.800 -0.262 0.000 2.119 290 Q HA -0.137 4.203 4.340 -0.000 0.000 0.201 290 Q C 2.270 178.165 176.000 -0.176 0.000 0.972 290 Q CA 2.184 57.796 55.803 -0.319 0.000 0.847 290 Q CB -0.338 28.002 28.738 -0.664 0.000 0.903 290 Q HN 0.623 nan 8.270 nan 0.000 0.433 291 S N 0.214 115.854 115.700 -0.101 0.000 2.355 291 S HA -0.103 4.367 4.470 -0.000 0.000 0.222 291 S C 1.986 176.623 174.600 0.061 0.000 1.031 291 S CA 0.999 59.255 58.200 0.095 0.000 0.993 291 S CB -0.672 62.593 63.200 0.109 0.000 0.859 291 S HN 0.597 nan 8.310 nan 0.000 0.453 292 A N 1.438 124.299 122.820 0.069 0.000 1.933 292 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 292 A C 2.320 179.991 177.584 0.145 0.000 1.175 292 A CA 2.013 54.168 52.037 0.197 0.000 0.628 292 A CB -1.350 17.761 19.000 0.184 0.000 0.814 292 A HN 0.466 nan 8.150 nan 0.000 0.444 293 T N 0.348 114.932 114.554 0.051 0.000 2.674 293 T HA -0.144 4.206 4.350 -0.000 0.000 0.265 293 T C 1.554 176.256 174.700 0.003 0.000 1.039 293 T CA 1.620 63.735 62.100 0.025 0.000 1.150 293 T CB -0.479 68.377 68.868 -0.019 0.000 0.864 293 T HN 0.490 nan 8.240 nan 0.000 0.427 294 D N 1.161 121.559 120.400 -0.003 0.000 2.106 294 D HA -0.064 4.576 4.640 -0.000 0.000 0.191 294 D C 2.081 178.320 176.300 -0.103 0.000 0.997 294 D CA 1.038 55.030 54.000 -0.013 0.000 0.834 294 D CB -0.422 40.407 40.800 0.049 0.000 0.956 294 D HN 0.328 nan 8.370 nan 0.000 0.448 295 L N -1.430 119.664 121.223 -0.215 0.000 2.179 295 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 295 L C 1.339 177.777 176.870 -0.720 0.000 1.096 295 L CA 0.806 55.311 54.840 -0.558 0.000 0.779 295 L CB -0.027 41.452 42.059 -0.968 0.000 0.922 295 L HN 0.065 nan 8.230 nan 0.000 0.443 296 Y N -0.878 119.438 120.300 0.028 0.000 2.563 296 Y HA 0.482 5.032 4.550 -0.000 0.000 0.250 296 Y C 0.928 176.836 175.900 0.013 0.000 1.126 296 Y CA -0.215 57.897 58.100 0.021 0.000 1.231 296 Y CB 0.683 39.156 38.460 0.021 0.000 1.288 296 Y HN 0.033 nan 8.280 nan 0.000 0.537 297 G N 0.447 109.310 108.800 0.105 0.000 2.788 297 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 297 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 297 G C 0.666 175.605 174.900 0.066 0.000 1.147 297 G CA -0.169 44.972 45.100 0.069 0.000 0.755 297 G HN 0.356 nan 8.290 nan 0.000 0.634 298 S N -0.396 115.325 115.700 0.035 0.000 2.419 298 S HA -0.107 4.363 4.470 -0.000 0.000 0.235 298 S C 2.062 176.677 174.600 0.025 0.000 1.019 298 S CA 2.379 60.593 58.200 0.023 0.000 0.982 298 S CB -0.238 62.965 63.200 0.006 0.000 0.789 298 S HN 2.252 nan 8.310 nan 0.000 0.490 299 T N 0.149 114.720 114.554 0.029 0.000 3.145 299 T HA 0.328 4.678 4.350 -0.000 0.000 0.255 299 T C 0.565 175.281 174.700 0.028 0.000 1.039 299 T CA -0.044 62.069 62.100 0.022 0.000 0.928 299 T CB -0.376 68.502 68.868 0.016 0.000 1.029 299 T HN 0.476 nan 8.240 nan 0.000 0.554 300 S N 0.685 116.412 115.700 0.045 0.000 2.593 300 S HA 0.182 4.652 4.470 -0.000 0.000 0.269 300 S C 1.299 175.907 174.600 0.012 0.000 1.334 300 S CA -0.488 57.737 58.200 0.042 0.000 1.015 300 S CB 1.409 64.666 63.200 0.095 0.000 0.912 300 S HN 0.265 nan 8.310 nan 0.000 0.541 301 Q N 0.958 120.749 119.800 -0.015 0.000 2.124 301 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 301 Q C 1.628 177.600 176.000 -0.048 0.000 0.977 301 Q CA 2.167 57.950 55.803 -0.033 0.000 0.850 301 Q CB -0.601 28.105 28.738 -0.053 0.000 0.901 301 Q HN 0.876 nan 8.270 nan 0.000 0.429 302 E N -0.666 119.480 120.200 -0.090 0.000 2.049 302 E HA -0.167 4.183 4.350 -0.000 0.000 0.198 302 E C 1.992 178.589 176.600 -0.004 0.000 1.007 302 E CA 1.688 58.018 56.400 -0.117 0.000 0.809 302 E CB -0.493 29.009 29.700 -0.330 0.000 0.749 302 E HN 0.210 nan 8.360 nan 0.000 0.450 303 V N 0.911 120.848 119.914 0.038 0.000 2.332 303 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 303 V C 2.201 178.313 176.094 0.030 0.000 1.055 303 V CA 1.892 64.219 62.300 0.046 0.000 1.038 303 V CB -0.909 30.941 31.823 0.045 0.000 0.651 303 V HN 0.386 nan 8.190 nan 0.000 0.450 304 A N -0.605 122.225 122.820 0.017 0.000 1.883 304 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 304 A C 2.493 180.090 177.584 0.022 0.000 1.186 304 A CA 2.372 54.418 52.037 0.015 0.000 0.624 304 A CB -0.739 18.264 19.000 0.004 0.000 0.822 304 A HN 0.506 nan 8.150 nan 0.000 0.444 305 S N -0.580 115.126 115.700 0.010 0.000 2.383 305 S HA -0.111 4.359 4.470 -0.000 0.000 0.227 305 S C 1.897 176.526 174.600 0.048 0.000 1.026 305 S CA 1.297 59.502 58.200 0.008 0.000 0.981 305 S CB -0.423 62.761 63.200 -0.025 0.000 0.818 305 S HN 0.343 nan 8.310 nan 0.000 0.472 306 V N 1.960 121.922 119.914 0.080 0.000 2.332 306 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 306 V C 2.268 178.505 176.094 0.239 0.000 1.055 306 V CA 1.723 64.127 62.300 0.173 0.000 1.038 306 V CB -0.566 31.348 31.823 0.150 0.000 0.651 306 V HN 0.429 nan 8.190 nan 0.000 0.450 307 K N -0.602 119.879 120.400 0.134 0.000 2.032 307 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 307 K C 2.366 179.049 176.600 0.138 0.000 1.048 307 K CA 1.493 57.854 56.287 0.123 0.000 0.927 307 K CB -0.272 32.260 32.500 0.055 0.000 0.712 307 K HN 0.403 nan 8.250 nan 0.000 0.441 308 Q N 0.196 120.050 119.800 0.091 0.000 2.061 308 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 308 Q C 2.275 178.319 176.000 0.073 0.000 0.984 308 Q CA 1.764 57.610 55.803 0.071 0.000 0.846 308 Q CB -0.482 28.280 28.738 0.039 0.000 0.902 308 Q HN 0.355 nan 8.270 nan 0.000 0.421 309 A N 0.317 123.164 122.820 0.045 0.000 1.883 309 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 309 A C 1.989 179.512 177.584 -0.102 0.000 1.186 309 A CA 1.527 53.532 52.037 -0.054 0.000 0.624 309 A CB -0.941 17.980 19.000 -0.131 0.000 0.822 309 A HN 0.295 nan 8.150 nan 0.000 0.444 310 F N 0.367 120.329 119.950 0.020 0.000 2.186 310 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 310 F C 2.130 177.932 175.800 0.003 0.000 1.090 310 F CA 1.578 59.579 58.000 0.001 0.000 1.307 310 F CB -0.315 38.671 39.000 -0.023 0.000 1.019 310 F HN 0.188 nan 8.300 nan 0.000 0.489 311 D N 0.189 120.698 120.400 0.182 0.000 2.149 311 D HA -0.178 4.462 4.640 -0.000 0.000 0.198 311 D C 2.333 178.710 176.300 0.129 0.000 0.990 311 D CA 1.395 55.469 54.000 0.123 0.000 0.839 311 D CB -0.604 40.257 40.800 0.102 0.000 0.948 311 D HN 0.236 nan 8.370 nan 0.000 0.460 312 A N 0.503 123.407 122.820 0.140 0.000 1.978 312 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 312 A C 2.197 179.966 177.584 0.309 0.000 1.170 312 A CA 1.794 53.968 52.037 0.230 0.000 0.636 312 A CB -0.448 18.699 19.000 0.245 0.000 0.810 312 A HN 0.264 nan 8.150 nan 0.000 0.448 313 V N -4.150 115.841 119.914 0.128 0.000 3.596 313 V HA 0.549 4.669 4.120 -0.000 0.000 0.289 313 V C 1.199 177.049 176.094 -0.407 0.000 1.336 313 V CA 0.540 62.834 62.300 -0.010 0.000 1.137 313 V CB -0.836 30.991 31.823 0.006 0.000 0.966 313 V HN 1.496 nan 8.190 nan 0.000 0.428 314 G N 0.259 108.909 108.800 -0.250 0.000 2.160 314 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.244 314 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.244 314 G C -0.039 174.793 174.900 -0.113 0.000 1.022 314 G CA 0.121 45.075 45.100 -0.243 0.000 0.741 314 G HN 0.886 nan 8.290 nan 0.000 0.508 315 V N 1.445 121.339 119.914 -0.034 0.000 2.333 315 V HA 0.516 4.636 4.120 -0.000 0.000 0.274 315 V C 0.318 176.393 176.094 -0.033 0.000 1.028 315 V CA -0.686 61.571 62.300 -0.073 0.000 0.851 315 V CB 1.410 33.328 31.823 0.159 0.000 1.000 315 V HN 0.243 nan 8.190 nan 0.000 0.456 316 K N 0.000 120.329 120.400 -0.118 0.000 2.780 316 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 316 K CA 0.000 56.239 56.287 -0.079 0.000 0.838 316 K CB 0.000 32.467 32.500 -0.055 0.000 1.064 316 K HN 0.000 nan 8.250 nan 0.000 0.543