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 2tli_1_A 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 0.000 176.103 176.117 -0.023 0.000 1.063 1 I CA 0.000 61.240 61.300 -0.100 0.000 1.566 1 I CB 0.000 37.774 38.000 -0.377 0.000 1.214 2 T N 3.486 118.023 114.554 -0.028 0.000 2.767 2 T HA 0.779 5.129 4.350 -0.000 0.000 0.288 2 T C 0.088 174.785 174.700 -0.004 0.000 0.963 2 T CA -0.025 62.074 62.100 -0.001 0.000 1.019 2 T CB 1.235 70.103 68.868 0.000 0.000 0.923 2 T HN 0.905 nan 8.240 nan 0.000 0.468 3 G N 1.867 110.679 108.800 0.020 0.000 2.494 3 G HA2 0.521 4.480 3.960 -0.000 0.000 0.308 3 G HA3 0.521 4.480 3.960 -0.000 0.000 0.308 3 G C -1.199 173.743 174.900 0.070 0.000 1.263 3 G CA -0.663 44.455 45.100 0.029 0.000 0.840 3 G HN 0.550 nan 8.290 nan 0.000 0.479 4 T N 1.269 115.895 114.554 0.121 0.000 2.795 4 T HA 0.589 4.939 4.350 -0.000 0.000 0.282 4 T C 0.281 175.074 174.700 0.155 0.000 0.980 4 T CA -0.099 62.084 62.100 0.139 0.000 1.012 4 T CB 1.317 70.299 68.868 0.190 0.000 0.936 4 T HN 0.479 nan 8.240 nan 0.000 0.457 5 S N 2.492 118.258 115.700 0.110 0.000 2.531 5 S HA 0.482 4.952 4.470 -0.000 0.000 0.279 5 S C 0.487 175.159 174.600 0.121 0.000 1.305 5 S CA -0.330 57.931 58.200 0.102 0.000 1.058 5 S CB 0.795 64.029 63.200 0.056 0.000 0.899 5 S HN 0.794 nan 8.310 nan 0.000 0.493 6 T N 1.711 116.352 114.554 0.145 0.000 2.681 6 T HA 0.590 4.940 4.350 -0.000 0.000 0.296 6 T C -1.690 173.078 174.700 0.114 0.000 1.157 6 T CA -0.498 61.685 62.100 0.139 0.000 1.025 6 T CB 1.016 70.006 68.868 0.203 0.000 1.441 6 T HN 0.288 nan 8.240 nan 0.000 0.504 7 V N 1.543 121.507 119.914 0.083 0.000 2.531 7 V HA 0.795 4.915 4.120 -0.000 0.000 0.301 7 V C 0.703 176.819 176.094 0.037 0.000 1.034 7 V CA -0.324 62.010 62.300 0.056 0.000 0.865 7 V CB 1.226 33.072 31.823 0.038 0.000 0.995 7 V HN 1.081 nan 8.190 nan 0.000 0.424 8 G N 2.161 110.989 108.800 0.047 0.000 2.735 8 G HA2 0.745 4.705 3.960 -0.000 0.000 0.301 8 G HA3 0.745 4.705 3.960 -0.000 0.000 0.301 8 G C -1.444 173.475 174.900 0.031 0.000 1.279 8 G CA -0.769 44.365 45.100 0.057 0.000 1.019 8 G HN 0.724 nan 8.290 nan 0.000 0.497 9 V N -0.797 119.137 119.914 0.034 0.000 2.876 9 V HA 0.976 5.096 4.120 -0.000 0.000 0.312 9 V C 0.197 176.108 176.094 -0.304 0.000 1.085 9 V CA 0.576 62.833 62.300 -0.072 0.000 0.945 9 V CB 1.753 33.593 31.823 0.029 0.000 1.017 9 V HN 1.575 nan 8.190 nan 0.000 0.428 10 G N 4.590 113.107 108.800 -0.472 0.000 2.634 10 G HA2 0.621 4.581 3.960 -0.000 0.000 0.309 10 G HA3 0.621 4.581 3.960 -0.000 0.000 0.309 10 G C -1.711 172.874 174.900 -0.524 0.000 1.299 10 G CA -0.931 43.679 45.100 -0.817 0.000 0.798 10 G HN 0.768 nan 8.290 nan 0.000 0.490 11 R N -0.655 119.637 120.500 -0.346 0.000 2.561 11 R HA 0.584 4.924 4.340 -0.000 0.000 0.297 11 R C 0.463 176.683 176.300 -0.133 0.000 0.969 11 R CA -0.265 55.774 56.100 -0.102 0.000 0.879 11 R CB 1.833 32.206 30.300 0.121 0.000 1.178 11 R HN 0.813 nan 8.270 nan 0.000 0.445 12 G N 0.688 109.398 108.800 -0.150 0.000 2.563 12 G HA2 0.152 4.111 3.960 -0.000 0.000 0.283 12 G HA3 0.152 4.111 3.960 -0.000 0.000 0.283 12 G C 0.944 175.803 174.900 -0.067 0.000 1.309 12 G CA -0.595 44.410 45.100 -0.158 0.000 1.022 12 G HN 0.391 nan 8.290 nan 0.000 0.501 13 V N -0.035 119.848 119.914 -0.053 0.000 2.392 13 V HA -0.143 3.977 4.120 -0.000 0.000 0.249 13 V C 2.543 178.651 176.094 0.024 0.000 1.059 13 V CA 1.419 63.718 62.300 -0.001 0.000 1.051 13 V CB -0.579 31.252 31.823 0.014 0.000 0.658 13 V HN 0.460 nan 8.190 nan 0.000 0.455 14 L N 0.117 121.355 121.223 0.024 0.000 2.627 14 L HA 0.281 4.621 4.340 -0.000 0.000 0.233 14 L C 1.711 178.594 176.870 0.021 0.000 1.144 14 L CA 0.805 55.662 54.840 0.029 0.000 0.892 14 L CB -0.473 41.608 42.059 0.035 0.000 1.039 14 L HN 0.576 nan 8.230 nan 0.000 0.442 15 G N 0.290 109.101 108.800 0.017 0.000 2.175 15 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.244 15 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.244 15 G C -0.010 174.901 174.900 0.019 0.000 0.982 15 G CA 0.226 45.343 45.100 0.028 0.000 0.641 15 G HN 0.525 nan 8.290 nan 0.000 0.527 16 D N 0.309 120.702 120.400 -0.011 0.000 2.255 16 D HA 0.456 5.096 4.640 -0.000 0.000 0.249 16 D C 0.196 176.462 176.300 -0.056 0.000 1.078 16 D CA -0.356 53.626 54.000 -0.030 0.000 0.896 16 D CB 1.287 42.057 40.800 -0.049 0.000 1.194 16 D HN 0.452 nan 8.370 nan 0.000 0.429 17 Q N 0.849 120.630 119.800 -0.033 0.000 2.235 17 Q HA 0.327 4.667 4.340 -0.000 0.000 0.250 17 Q C -0.689 175.233 176.000 -0.131 0.000 0.909 17 Q CA -0.695 55.093 55.803 -0.025 0.000 0.910 17 Q CB 0.905 29.692 28.738 0.081 0.000 1.223 17 Q HN 0.574 nan 8.270 nan 0.000 0.432 18 K N 2.082 122.360 120.400 -0.202 0.000 2.551 18 K HA 0.425 4.745 4.320 -0.000 0.000 0.269 18 K C -1.316 175.163 176.600 -0.200 0.000 0.949 18 K CA -0.992 55.119 56.287 -0.294 0.000 0.849 18 K CB 1.051 33.141 32.500 -0.682 0.000 1.411 18 K HN 0.453 nan 8.250 nan 0.000 0.432 19 N N 1.776 120.415 118.700 -0.102 0.000 2.498 19 N HA 0.486 5.226 4.740 -0.000 0.000 0.287 19 N C -0.289 175.240 175.510 0.031 0.000 1.097 19 N CA -0.414 52.623 53.050 -0.022 0.000 0.973 19 N CB 0.923 39.427 38.487 0.028 0.000 1.153 19 N HN 0.592 nan 8.380 nan 0.000 0.472 20 I N -1.651 118.920 120.570 0.002 0.000 2.828 20 I HA 0.489 4.659 4.170 -0.000 0.000 0.302 20 I C -0.542 175.601 176.117 0.044 0.000 1.101 20 I CA -1.108 60.219 61.300 0.046 0.000 1.031 20 I CB 2.021 39.990 38.000 -0.052 0.000 1.231 20 I HN 0.160 nan 8.210 nan 0.000 0.427 21 N N 2.649 121.396 118.700 0.079 0.000 2.458 21 N HA 0.465 5.205 4.740 -0.000 0.000 0.270 21 N C -0.459 175.132 175.510 0.136 0.000 1.102 21 N CA -0.083 53.014 53.050 0.078 0.000 0.967 21 N CB 1.189 39.683 38.487 0.012 0.000 1.078 21 N HN 0.816 nan 8.380 nan 0.000 0.471 22 T N -1.376 113.250 114.554 0.120 0.000 2.864 22 T HA 0.560 4.910 4.350 -0.000 0.000 0.289 22 T C -0.478 174.346 174.700 0.207 0.000 1.082 22 T CA -0.817 61.378 62.100 0.158 0.000 1.009 22 T CB 1.811 70.825 68.868 0.245 0.000 1.234 22 T HN 0.153 nan 8.240 nan 0.000 0.526 23 T N 1.455 116.172 114.554 0.273 0.000 2.848 23 T HA 0.507 4.857 4.350 -0.000 0.000 0.285 23 T C -1.890 173.028 174.700 0.362 0.000 0.995 23 T CA -0.480 61.779 62.100 0.265 0.000 0.970 23 T CB 0.989 69.959 68.868 0.170 0.000 0.976 23 T HN 0.637 nan 8.240 nan 0.000 0.441 24 Y N 2.104 122.479 120.300 0.126 0.000 2.341 24 Y HA 0.615 5.165 4.550 -0.000 0.000 0.337 24 Y C 0.029 175.929 175.900 -0.001 0.000 1.014 24 Y CA -0.764 57.294 58.100 -0.069 0.000 1.111 24 Y CB 1.436 39.782 38.460 -0.190 0.000 1.194 24 Y HN 0.579 nan 8.280 nan 0.000 0.462 25 S N 4.640 119.983 115.700 -0.596 0.000 2.689 25 S HA 0.369 4.839 4.470 -0.000 0.000 0.151 25 S C -0.072 174.275 174.600 -0.422 0.000 1.155 25 S CA 0.354 58.262 58.200 -0.488 0.000 1.144 25 S CB -0.544 62.597 63.200 -0.099 0.000 1.526 25 S HN 1.058 nan 8.310 nan 0.000 0.419 26 T N 1.387 115.442 114.554 -0.831 0.000 13.396 26 T HA -0.232 4.118 4.350 -0.000 0.000 0.416 26 T C -0.017 174.390 174.700 -0.487 0.000 1.466 26 T CA 1.634 63.447 62.100 -0.479 0.000 2.394 26 T CB -1.444 67.301 68.868 -0.205 0.000 2.763 26 T HN 0.621 nan 8.240 nan 0.000 0.539 27 Y N -0.165 119.934 120.300 -0.336 0.000 2.545 27 Y HA 0.635 5.185 4.550 -0.000 0.000 0.324 27 Y C -0.028 175.625 175.900 -0.412 0.000 1.220 27 Y CA -0.970 56.923 58.100 -0.345 0.000 1.290 27 Y CB 0.704 38.834 38.460 -0.550 0.000 1.355 27 Y HN 0.271 nan 8.280 nan 0.000 0.516 28 Y N 0.408 120.776 120.300 0.114 0.000 2.328 28 Y HA 0.350 4.900 4.550 -0.000 0.000 0.337 28 Y C -1.001 174.928 175.900 0.049 0.000 1.008 28 Y CA -0.674 57.546 58.100 0.200 0.000 1.129 28 Y CB 0.430 39.040 38.460 0.250 0.000 1.185 28 Y HN 0.365 nan 8.280 nan 0.000 0.476 29 Y N 2.154 122.659 120.300 0.342 0.000 2.487 29 Y HA 0.422 4.971 4.550 -0.001 0.000 0.337 29 Y C -0.172 175.792 175.900 0.108 0.000 1.076 29 Y CA -1.186 57.052 58.100 0.230 0.000 1.115 29 Y CB 1.206 39.739 38.460 0.123 0.000 1.235 29 Y HN 0.379 nan 8.280 nan 0.000 0.468 30 L N 3.362 124.672 121.223 0.146 0.000 2.395 30 L HA 0.223 4.562 4.340 -0.000 0.000 0.268 30 L C -0.373 176.364 176.870 -0.223 0.000 1.223 30 L CA 0.247 54.858 54.840 -0.382 0.000 1.093 30 L CB -0.275 41.367 42.059 -0.694 0.000 1.349 30 L HN 0.554 nan 8.230 nan 0.000 0.427 31 Q N 2.229 121.987 119.800 -0.070 0.000 2.295 31 Q HA 0.182 4.522 4.340 -0.000 0.000 0.259 31 Q C -1.538 174.408 176.000 -0.091 0.000 0.966 31 Q CA -0.704 55.004 55.803 -0.158 0.000 0.763 31 Q CB 2.234 30.864 28.738 -0.179 0.000 1.283 31 Q HN 0.316 nan 8.270 nan 0.000 0.445 32 D N 3.170 123.482 120.400 -0.145 0.000 2.373 32 D HA 0.202 4.842 4.640 -0.000 0.000 0.227 32 D C -0.325 175.839 176.300 -0.227 0.000 1.091 32 D CA -0.218 53.700 54.000 -0.136 0.000 0.840 32 D CB 0.888 41.540 40.800 -0.246 0.000 1.060 32 D HN 0.680 nan 8.370 nan 0.000 0.502 33 N N 1.240 119.855 118.700 -0.142 0.000 2.398 33 N HA -0.042 4.698 4.740 -0.000 0.000 0.188 33 N C 1.342 176.784 175.510 -0.114 0.000 1.122 33 N CA 0.378 53.353 53.050 -0.125 0.000 0.866 33 N CB 0.499 38.952 38.487 -0.057 0.000 0.970 33 N HN 0.453 nan 8.380 nan 0.000 0.462 34 T N -2.177 112.298 114.554 -0.132 0.000 3.081 34 T HA 0.147 4.497 4.350 -0.000 0.000 0.255 34 T C 0.731 175.326 174.700 -0.175 0.000 1.113 34 T CA 0.162 62.194 62.100 -0.114 0.000 1.082 34 T CB 0.177 68.992 68.868 -0.089 0.000 0.939 34 T HN -0.017 nan 8.240 nan 0.000 0.506 35 R N 0.888 121.205 120.500 -0.306 0.000 2.409 35 R HA 0.559 4.899 4.340 -0.000 0.000 0.313 35 R C 1.088 177.082 176.300 -0.509 0.000 0.953 35 R CA -0.047 55.698 56.100 -0.591 0.000 0.849 35 R CB 1.398 31.094 30.300 -1.007 0.000 1.171 35 R HN 0.370 nan 8.270 nan 0.000 0.458 36 G N 2.712 111.365 108.800 -0.245 0.000 2.596 36 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.295 36 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.295 36 G C 0.181 175.058 174.900 -0.038 0.000 1.240 36 G CA 0.440 45.516 45.100 -0.040 0.000 0.985 36 G HN 0.628 nan 8.290 nan 0.000 0.555 37 D N 2.733 123.139 120.400 0.010 0.000 2.349 37 D HA 0.444 5.084 4.640 -0.000 0.000 0.224 37 D C 1.236 177.619 176.300 0.138 0.000 1.029 37 D CA 2.065 56.108 54.000 0.071 0.000 0.879 37 D CB -0.146 40.707 40.800 0.089 0.000 0.906 37 D HN 1.676 nan 8.370 nan 0.000 0.528 38 G N 0.098 108.902 108.800 0.006 0.000 2.484 38 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.685 38 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.685 38 G C -1.044 173.779 174.900 -0.128 0.000 1.294 38 G CA -0.974 44.031 45.100 -0.158 0.000 0.879 38 G HN 0.086 nan 8.290 nan 0.000 0.646 39 I N 0.441 120.797 120.570 -0.356 0.000 2.418 39 I HA 0.577 4.747 4.170 -0.000 0.000 0.287 39 I C -0.799 175.186 176.117 -0.220 0.000 1.008 39 I CA -0.630 60.586 61.300 -0.140 0.000 1.104 39 I CB 1.637 39.493 38.000 -0.241 0.000 1.264 39 I HN 0.327 nan 8.210 nan 0.000 0.438 40 F N 3.191 123.246 119.950 0.175 0.000 2.518 40 F HA 0.500 5.027 4.527 -0.000 0.000 0.323 40 F C 0.174 176.052 175.800 0.132 0.000 1.129 40 F CA -0.606 57.463 58.000 0.115 0.000 0.920 40 F CB 2.304 41.368 39.000 0.106 0.000 1.160 40 F HN 0.207 nan 8.300 nan 0.000 0.440 41 T N 2.815 117.450 114.554 0.134 0.000 2.824 41 T HA 0.542 4.892 4.350 -0.000 0.000 0.282 41 T C -1.260 173.486 174.700 0.077 0.000 0.993 41 T CA -0.664 61.538 62.100 0.171 0.000 0.967 41 T CB 0.728 69.642 68.868 0.077 0.000 0.960 41 T HN 0.249 nan 8.240 nan 0.000 0.441 42 Y N 0.900 121.387 120.300 0.312 0.000 2.509 42 Y HA 0.507 5.057 4.550 -0.000 0.000 0.341 42 Y C 0.227 176.367 175.900 0.401 0.000 1.038 42 Y CA -1.294 57.000 58.100 0.324 0.000 1.089 42 Y CB 1.188 39.769 38.460 0.202 0.000 1.241 42 Y HN 0.466 nan 8.280 nan 0.000 0.468 43 D N 0.896 121.586 120.400 0.484 0.000 2.317 43 D HA 0.407 5.047 4.640 -0.000 0.000 0.234 43 D C 0.133 176.584 176.300 0.252 0.000 1.112 43 D CA -0.141 54.075 54.000 0.360 0.000 0.840 43 D CB 1.637 42.406 40.800 -0.052 0.000 1.078 43 D HN 0.680 nan 8.370 nan 0.000 0.486 44 A N 3.974 126.952 122.820 0.263 0.000 2.251 44 A HA 0.074 4.394 4.320 -0.000 0.000 0.209 44 A C 0.847 178.500 177.584 0.114 0.000 1.187 44 A CA 0.006 52.157 52.037 0.189 0.000 0.823 44 A CB -0.363 18.785 19.000 0.246 0.000 0.846 44 A HN 0.748 nan 8.150 nan 0.000 0.486 45 K N -1.876 118.558 120.400 0.057 0.000 3.077 45 K HA -0.284 4.035 4.320 -0.000 0.000 0.264 45 K C -0.496 176.044 176.600 -0.100 0.000 1.008 45 K CA 0.682 56.897 56.287 -0.121 0.000 0.740 45 K CB -2.276 30.191 32.500 -0.055 0.000 1.273 45 K HN 0.614 nan 8.250 nan 0.000 0.477 46 Y N -3.332 117.052 120.300 0.141 0.000 4.798 46 Y HA -0.360 4.189 4.550 -0.001 0.000 0.237 46 Y C 0.669 176.554 175.900 -0.025 0.000 1.017 46 Y CA 1.311 59.451 58.100 0.066 0.000 2.010 46 Y CB -2.039 36.456 38.460 0.059 0.000 1.582 46 Y HN 0.356 nan 8.280 nan 0.000 0.621 47 R N -0.257 120.286 120.500 0.072 0.000 2.700 47 R HA 0.626 4.966 4.340 -0.000 0.000 0.253 47 R C 1.273 177.485 176.300 -0.146 0.000 1.091 47 R CA 0.161 56.248 56.100 -0.021 0.000 1.104 47 R CB 0.686 30.994 30.300 0.014 0.000 1.202 47 R HN 0.211 nan 8.270 nan 0.000 0.532 48 T N -3.403 111.056 114.554 -0.157 0.000 3.092 48 T HA 0.015 4.365 4.350 -0.000 0.000 0.258 48 T C 0.649 175.397 174.700 0.081 0.000 1.031 48 T CA -0.428 61.573 62.100 -0.165 0.000 0.925 48 T CB -0.162 68.586 68.868 -0.200 0.000 1.036 48 T HN 0.668 nan 8.240 nan 0.000 0.544 49 T N 1.669 116.249 114.554 0.043 0.000 2.884 49 T HA 0.647 4.996 4.350 -0.000 0.000 0.298 49 T C -0.235 174.497 174.700 0.054 0.000 0.998 49 T CA -0.733 61.393 62.100 0.043 0.000 1.124 49 T CB 0.836 69.714 68.868 0.016 0.000 0.931 49 T HN 0.286 nan 8.240 nan 0.000 0.531 50 L N 4.132 125.363 121.223 0.015 0.000 2.354 50 L HA 0.469 4.809 4.340 -0.000 0.000 0.269 50 L C -1.170 175.631 176.870 -0.116 0.000 1.005 50 L CA -2.203 52.611 54.840 -0.043 0.000 0.819 50 L CB 2.470 44.484 42.059 -0.075 0.000 1.311 50 L HN 0.552 nan 8.230 nan 0.000 0.423 51 P HA 0.210 nan 4.420 nan 0.000 0.251 51 P C 0.522 177.746 177.300 -0.126 0.000 1.223 51 P CA 0.498 63.412 63.100 -0.310 0.000 0.796 51 P CB 0.982 32.163 31.700 -0.865 0.000 1.068 52 G N 0.225 109.008 108.800 -0.028 0.000 2.508 52 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.220 52 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.220 52 G C -0.802 174.217 174.900 0.198 0.000 1.287 52 G CA -0.339 44.819 45.100 0.097 0.000 0.916 52 G HN 0.256 nan 8.290 nan 0.000 0.574 53 S N -0.193 115.653 115.700 0.244 0.000 2.475 53 S HA 0.599 5.069 4.470 -0.000 0.000 0.298 53 S C 0.147 174.925 174.600 0.296 0.000 1.119 53 S CA -0.390 57.951 58.200 0.235 0.000 1.085 53 S CB 1.664 64.900 63.200 0.060 0.000 1.028 53 S HN 1.187 nan 8.310 nan 0.000 0.489 54 L N 4.272 125.618 121.223 0.205 0.000 2.540 54 L HA 0.121 4.460 4.340 -0.000 0.000 0.276 54 L C -0.093 176.871 176.870 0.157 0.000 1.212 54 L CA 0.127 54.919 54.840 -0.080 0.000 0.893 54 L CB 0.097 42.102 42.059 -0.089 0.000 1.138 54 L HN 0.745 nan 8.230 nan 0.000 0.491 55 W N 7.044 128.347 121.300 0.005 0.000 2.381 55 W HA 0.435 5.095 4.660 0.000 0.000 0.321 55 W C -0.597 175.979 176.519 0.096 0.000 1.407 55 W CA -0.306 57.081 57.345 0.069 0.000 1.274 55 W CB 0.621 30.093 29.460 0.019 0.000 1.310 55 W HN 0.753 nan 8.180 nan 0.000 0.551 56 A N 5.088 127.836 122.820 -0.120 0.000 2.337 56 A HA 0.510 4.830 4.320 -0.000 0.000 0.329 56 A C -1.483 176.019 177.584 -0.136 0.000 1.146 56 A CA -0.560 51.280 52.037 -0.329 0.000 0.800 56 A CB 1.635 20.173 19.000 -0.770 0.000 1.220 56 A HN 0.614 nan 8.150 nan 0.000 0.472 57 D N 0.544 120.985 120.400 0.069 0.000 2.934 57 D HA 0.577 5.217 4.640 -0.000 0.000 0.230 57 D C 0.627 177.102 176.300 0.292 0.000 1.204 57 D CA 0.167 54.253 54.000 0.142 0.000 0.873 57 D CB 1.924 42.745 40.800 0.036 0.000 1.645 57 D HN 0.489 nan 8.370 nan 0.000 0.502 58 A N 2.779 125.746 122.820 0.245 0.000 1.968 58 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 58 A C 1.118 178.837 177.584 0.226 0.000 1.169 58 A CA 1.601 53.781 52.037 0.238 0.000 0.638 58 A CB -0.123 18.957 19.000 0.134 0.000 0.812 58 A HN 0.675 nan 8.150 nan 0.000 0.446 59 D N -3.782 116.649 120.400 0.051 0.000 2.563 59 D HA 0.080 4.720 4.640 -0.000 0.000 0.237 59 D C 0.251 176.297 176.300 -0.424 0.000 1.282 59 D CA -0.025 53.927 54.000 -0.080 0.000 0.816 59 D CB -0.799 39.963 40.800 -0.064 0.000 1.066 59 D HN 0.091 nan 8.370 nan 0.000 0.501 60 N N 0.485 118.826 118.700 -0.598 0.000 2.741 60 N HA -0.198 4.542 4.740 -0.000 0.000 0.251 60 N C -1.168 174.087 175.510 -0.425 0.000 1.112 60 N CA 0.766 53.419 53.050 -0.662 0.000 0.750 60 N CB -1.033 36.724 38.487 -1.216 0.000 1.119 60 N HN 0.567 nan 8.380 nan 0.000 0.561 61 Q N -0.279 119.197 119.800 -0.540 0.000 2.327 61 Q HA 0.353 4.693 4.340 -0.000 0.000 0.270 61 Q C -0.862 174.852 176.000 -0.477 0.000 1.022 61 Q CA -0.379 55.255 55.803 -0.282 0.000 0.773 61 Q CB 0.755 29.504 28.738 0.018 0.000 1.251 61 Q HN 0.230 nan 8.270 nan 0.000 0.457 62 F N 2.262 121.932 119.950 -0.468 0.000 2.389 62 F HA 0.327 4.853 4.527 -0.000 0.000 0.327 62 F C -0.022 175.523 175.800 -0.423 0.000 1.204 62 F CA -0.352 57.462 58.000 -0.309 0.000 1.209 62 F CB 0.329 39.136 39.000 -0.323 0.000 1.460 62 F HN 0.536 nan 8.300 nan 0.000 0.537 63 F N 0.681 120.689 119.950 0.097 0.000 2.661 63 F HA 0.436 4.963 4.527 -0.000 0.000 0.306 63 F C 1.304 177.155 175.800 0.085 0.000 1.094 63 F CA -0.511 57.531 58.000 0.070 0.000 1.254 63 F CB -0.152 38.866 39.000 0.030 0.000 1.040 63 F HN 0.229 nan 8.300 nan 0.000 0.562 64 A N 0.224 123.192 122.820 0.247 0.000 2.351 64 A HA 0.383 4.703 4.320 -0.000 0.000 0.257 64 A C 1.522 179.250 177.584 0.239 0.000 1.087 64 A CA 0.342 52.519 52.037 0.233 0.000 0.798 64 A CB 0.291 19.441 19.000 0.249 0.000 1.033 64 A HN 0.326 nan 8.150 nan 0.000 0.488 65 S N 0.769 116.604 115.700 0.224 0.000 2.447 65 S HA -0.211 4.259 4.470 -0.000 0.000 0.233 65 S C 1.561 176.341 174.600 0.300 0.000 1.006 65 S CA 1.608 59.938 58.200 0.217 0.000 0.957 65 S CB -0.618 62.693 63.200 0.184 0.000 0.773 65 S HN 0.819 nan 8.310 nan 0.000 0.507 66 Y N 2.596 123.039 120.300 0.238 0.000 2.439 66 Y HA -0.011 4.539 4.550 -0.000 0.000 0.292 66 Y C 1.334 177.534 175.900 0.499 0.000 1.130 66 Y CA 1.357 59.666 58.100 0.349 0.000 1.254 66 Y CB -0.284 38.324 38.460 0.246 0.000 1.000 66 Y HN 0.220 nan 8.280 nan 0.000 0.554 67 D N -0.229 120.427 120.400 0.427 0.000 2.234 67 D HA -0.071 4.569 4.640 -0.000 0.000 0.205 67 D C 2.272 178.504 176.300 -0.113 0.000 0.962 67 D CA 1.013 55.145 54.000 0.221 0.000 0.855 67 D CB -0.435 40.529 40.800 0.273 0.000 0.951 67 D HN 0.435 nan 8.370 nan 0.000 0.500 68 A N 1.922 124.726 122.820 -0.027 0.000 1.873 68 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 68 A C -0.199 177.257 177.584 -0.213 0.000 1.193 68 A CA 1.588 53.564 52.037 -0.101 0.000 0.629 68 A CB -1.581 17.413 19.000 -0.011 0.000 0.826 68 A HN 0.206 nan 8.150 nan 0.000 0.447 69 P HA -0.059 nan 4.420 nan 0.000 0.218 69 P C 1.606 178.640 177.300 -0.443 0.000 1.149 69 P CA 1.790 64.694 63.100 -0.328 0.000 0.817 69 P CB -0.132 31.332 31.700 -0.393 0.000 0.785 70 A N -0.464 121.995 122.820 -0.601 0.000 1.898 70 A HA -0.116 4.203 4.320 -0.000 0.000 0.216 70 A C 2.341 179.564 177.584 -0.601 0.000 1.181 70 A CA 1.559 53.148 52.037 -0.747 0.000 0.620 70 A CB -1.669 16.380 19.000 -1.585 0.000 0.819 70 A HN 0.003 nan 8.150 nan 0.000 0.442 71 V N 0.822 120.386 119.914 -0.583 0.000 2.252 71 V HA -0.297 3.823 4.120 -0.000 0.000 0.249 71 V C 2.242 178.119 176.094 -0.362 0.000 1.056 71 V CA 2.511 64.517 62.300 -0.488 0.000 1.022 71 V CB -0.820 30.747 31.823 -0.426 0.000 0.641 71 V HN 0.504 nan 8.190 nan 0.000 0.445 72 D N -0.049 120.128 120.400 -0.371 0.000 2.144 72 D HA -0.083 4.556 4.640 -0.000 0.000 0.200 72 D C 2.220 178.351 176.300 -0.282 0.000 0.978 72 D CA 1.534 55.283 54.000 -0.418 0.000 0.833 72 D CB -0.389 40.250 40.800 -0.268 0.000 0.961 72 D HN 0.427 nan 8.370 nan 0.000 0.470 73 A N 0.315 122.962 122.820 -0.288 0.000 1.883 73 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 73 A C 2.082 179.644 177.584 -0.036 0.000 1.186 73 A CA 2.060 53.959 52.037 -0.230 0.000 0.624 73 A CB -0.927 17.900 19.000 -0.289 0.000 0.822 73 A HN 0.315 nan 8.150 nan 0.000 0.444 74 H N -2.646 116.313 119.070 -0.185 0.000 2.357 74 H HA -0.132 4.424 4.556 -0.000 0.000 0.301 74 H C 1.824 177.086 175.328 -0.111 0.000 1.082 74 H CA 2.078 58.040 56.048 -0.143 0.000 1.342 74 H CB -0.330 29.277 29.762 -0.258 0.000 1.389 74 H HN 0.579 nan 8.280 nan 0.000 0.511 75 Y N -0.659 119.486 120.300 -0.258 0.000 2.220 75 Y HA -0.202 4.348 4.550 -0.000 0.000 0.291 75 Y C 1.441 177.232 175.900 -0.183 0.000 1.129 75 Y CA 1.388 59.306 58.100 -0.304 0.000 1.161 75 Y CB -0.304 37.891 38.460 -0.443 0.000 0.997 75 Y HN 0.203 nan 8.280 nan 0.000 0.522 76 Y N -0.397 119.937 120.300 0.056 0.000 2.457 76 Y HA 0.050 4.599 4.550 -0.000 0.000 0.292 76 Y C 2.463 178.363 175.900 0.000 0.000 1.125 76 Y CA 0.297 58.410 58.100 0.021 0.000 1.254 76 Y CB -1.170 37.332 38.460 0.069 0.000 1.012 76 Y HN 0.250 nan 8.280 nan 0.000 0.555 77 A N 0.041 122.939 122.820 0.130 0.000 1.930 77 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 77 A C 2.644 180.257 177.584 0.048 0.000 1.175 77 A CA 1.627 53.734 52.037 0.117 0.000 0.627 77 A CB -1.308 17.750 19.000 0.097 0.000 0.815 77 A HN 0.428 nan 8.150 nan 0.000 0.443 78 G N -0.374 108.356 108.800 -0.118 0.000 2.421 78 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 78 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 78 G C 1.514 176.401 174.900 -0.020 0.000 1.171 78 G CA 1.302 46.310 45.100 -0.153 0.000 0.775 78 G HN 0.313 nan 8.290 nan 0.000 0.543 79 V N 1.082 120.957 119.914 -0.064 0.000 2.343 79 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 79 V C 3.161 179.364 176.094 0.181 0.000 1.051 79 V CA 2.351 64.703 62.300 0.086 0.000 1.036 79 V CB -0.942 30.960 31.823 0.131 0.000 0.654 79 V HN 0.403 nan 8.190 nan 0.000 0.451 80 T N -0.954 113.706 114.554 0.176 0.000 2.821 80 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 80 T C 1.737 176.608 174.700 0.285 0.000 1.046 80 T CA 1.909 64.136 62.100 0.211 0.000 1.139 80 T CB -0.376 68.629 68.868 0.229 0.000 0.871 80 T HN 0.593 nan 8.240 nan 0.000 0.454 81 Y N 2.425 122.803 120.300 0.131 0.000 2.145 81 Y HA -0.185 4.364 4.550 -0.000 0.000 0.286 81 Y C 1.968 177.906 175.900 0.065 0.000 1.145 81 Y CA 1.524 59.685 58.100 0.103 0.000 1.148 81 Y CB -0.407 38.071 38.460 0.030 0.000 0.981 81 Y HN 0.107 nan 8.280 nan 0.000 0.507 82 D N -0.834 119.710 120.400 0.240 0.000 2.117 82 D HA -0.232 4.408 4.640 -0.000 0.000 0.197 82 D C 1.923 178.148 176.300 -0.126 0.000 0.987 82 D CA 1.681 55.755 54.000 0.122 0.000 0.829 82 D CB -0.891 40.038 40.800 0.216 0.000 0.961 82 D HN 0.522 nan 8.370 nan 0.000 0.460 83 Y N 0.495 120.558 120.300 -0.395 0.000 2.097 83 Y HA -0.338 4.212 4.550 -0.000 0.000 0.282 83 Y C 2.117 177.689 175.900 -0.546 0.000 1.152 83 Y CA 1.669 59.256 58.100 -0.854 0.000 1.136 83 Y CB -0.730 37.238 38.460 -0.821 0.000 0.975 83 Y HN -0.038 nan 8.280 nan 0.000 0.498 84 Y N 0.728 120.825 120.300 -0.338 0.000 2.274 84 Y HA -0.201 4.348 4.550 -0.000 0.000 0.290 84 Y C 2.672 178.293 175.900 -0.464 0.000 1.145 84 Y CA 2.032 59.893 58.100 -0.399 0.000 1.203 84 Y CB -0.454 37.868 38.460 -0.230 0.000 0.984 84 Y HN 0.178 nan 8.280 nan 0.000 0.533 85 K N -0.025 120.175 120.400 -0.333 0.000 2.031 85 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 85 K C 1.671 178.103 176.600 -0.280 0.000 1.049 85 K CA 1.530 57.623 56.287 -0.323 0.000 0.939 85 K CB -0.054 32.225 32.500 -0.369 0.000 0.717 85 K HN 0.184 nan 8.250 nan 0.000 0.438 86 N N 0.299 118.820 118.700 -0.298 0.000 2.216 86 N HA -0.093 4.646 4.740 -0.000 0.000 0.183 86 N C 1.787 177.086 175.510 -0.352 0.000 1.017 86 N CA 1.071 53.979 53.050 -0.237 0.000 0.861 86 N CB -0.014 38.397 38.487 -0.128 0.000 0.986 86 N HN 0.027 nan 8.380 nan 0.000 0.428 87 V N 0.213 119.750 119.914 -0.628 0.000 2.426 87 V HA -0.057 4.063 4.120 -0.000 0.000 0.242 87 V C 1.246 176.810 176.094 -0.882 0.000 1.036 87 V CA 1.207 63.002 62.300 -0.841 0.000 1.044 87 V CB -0.274 30.740 31.823 -1.348 0.000 0.688 87 V HN 0.361 nan 8.190 nan 0.000 0.462 88 H N -0.815 117.903 119.070 -0.587 0.000 2.755 88 H HA 0.315 4.871 4.556 -0.000 0.000 0.273 88 H C 0.557 175.633 175.328 -0.421 0.000 1.055 88 H CA -0.252 55.414 56.048 -0.637 0.000 1.191 88 H CB -0.111 29.003 29.762 -1.080 0.000 1.536 88 H HN 0.488 nan 8.280 nan 0.000 0.529 89 N N 1.415 119.972 118.700 -0.239 0.000 2.727 89 N HA -0.211 4.529 4.740 -0.000 0.000 0.249 89 N C 0.023 175.460 175.510 -0.123 0.000 1.048 89 N CA 0.210 53.165 53.050 -0.158 0.000 0.714 89 N CB -0.410 38.011 38.487 -0.110 0.000 0.959 89 N HN 0.297 nan 8.380 nan 0.000 0.544 90 R N 1.225 121.638 120.500 -0.146 0.000 2.343 90 R HA 0.379 4.718 4.340 -0.000 0.000 0.320 90 R C -0.632 175.534 176.300 -0.223 0.000 0.956 90 R CA -0.590 55.438 56.100 -0.120 0.000 0.836 90 R CB 0.750 31.020 30.300 -0.050 0.000 1.151 90 R HN 0.130 nan 8.270 nan 0.000 0.450 91 L N 4.331 125.432 121.223 -0.204 0.000 2.312 91 L HA 0.191 4.531 4.340 -0.000 0.000 0.287 91 L C 0.581 177.308 176.870 -0.238 0.000 1.091 91 L CA 0.146 54.845 54.840 -0.234 0.000 0.846 91 L CB 0.835 42.834 42.059 -0.100 0.000 1.219 91 L HN 0.957 nan 8.230 nan 0.000 0.439 92 S N 2.036 117.544 115.700 -0.320 0.000 3.585 92 S HA -0.294 4.175 4.470 -0.000 0.000 0.638 92 S C 0.817 175.221 174.600 -0.328 0.000 2.340 92 S CA 1.145 59.226 58.200 -0.197 0.000 2.517 92 S CB -0.405 62.705 63.200 -0.151 0.000 0.329 92 S HN 0.708 nan 8.310 nan 0.000 1.795 93 Y N 0.785 120.919 120.300 -0.275 0.000 2.457 93 Y HA 0.221 4.771 4.550 -0.000 0.000 0.292 93 Y C 1.794 177.400 175.900 -0.490 0.000 1.125 93 Y CA 1.115 58.969 58.100 -0.409 0.000 1.254 93 Y CB -0.515 37.688 38.460 -0.429 0.000 1.012 93 Y HN 0.592 nan 8.280 nan 0.000 0.555 94 D N -0.520 119.392 120.400 -0.813 0.000 2.349 94 D HA 0.157 4.797 4.640 -0.000 0.000 0.214 94 D C 1.799 177.891 176.300 -0.346 0.000 1.063 94 D CA 0.478 54.022 54.000 -0.758 0.000 0.847 94 D CB -0.057 40.159 40.800 -0.973 0.000 0.933 94 D HN 0.501 nan 8.370 nan 0.000 0.513 95 G N 0.864 109.485 108.800 -0.299 0.000 2.159 95 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.256 95 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.256 95 G C 0.545 175.354 174.900 -0.151 0.000 0.977 95 G CA 0.251 45.245 45.100 -0.176 0.000 0.652 95 G HN 0.481 nan 8.290 nan 0.000 0.531 96 N N 0.566 119.160 118.700 -0.177 0.000 2.466 96 N HA 0.135 4.875 4.740 -0.000 0.000 0.272 96 N C 0.530 175.969 175.510 -0.119 0.000 1.455 96 N CA 0.267 53.244 53.050 -0.121 0.000 0.875 96 N CB -0.633 37.793 38.487 -0.102 0.000 1.372 96 N HN 0.469 nan 8.380 nan 0.000 0.492 97 N N -0.210 118.419 118.700 -0.118 0.000 2.754 97 N HA -0.205 4.535 4.740 -0.000 0.000 0.248 97 N C -0.344 175.106 175.510 -0.100 0.000 1.093 97 N CA 0.453 53.483 53.050 -0.033 0.000 0.699 97 N CB -0.692 37.809 38.487 0.023 0.000 1.016 97 N HN 0.390 nan 8.380 nan 0.000 0.552 98 A N 0.283 122.934 122.820 -0.281 0.000 2.555 98 A HA 0.468 4.787 4.320 -0.000 0.000 0.233 98 A C 1.001 178.534 177.584 -0.085 0.000 1.060 98 A CA 0.572 52.446 52.037 -0.272 0.000 0.759 98 A CB 0.285 18.873 19.000 -0.688 0.000 0.995 98 A HN 0.523 nan 8.150 nan 0.000 0.506 99 A N 1.810 124.690 122.820 0.100 0.000 2.462 99 A HA 0.511 4.831 4.320 -0.000 0.000 0.243 99 A C 0.061 177.881 177.584 0.393 0.000 1.076 99 A CA -0.067 52.133 52.037 0.273 0.000 0.773 99 A CB -0.125 19.082 19.000 0.344 0.000 1.010 99 A HN 0.728 nan 8.150 nan 0.000 0.493 100 I N 2.424 123.247 120.570 0.421 0.000 2.339 100 I HA 0.346 4.515 4.170 -0.000 0.000 0.290 100 I C 0.352 176.755 176.117 0.477 0.000 0.994 100 I CA -0.092 61.496 61.300 0.480 0.000 1.191 100 I CB 1.245 39.464 38.000 0.366 0.000 1.343 100 I HN 0.679 nan 8.210 nan 0.000 0.458 101 R N 4.253 125.023 120.500 0.451 0.000 2.637 101 R HA 0.723 5.063 4.340 -0.000 0.000 0.291 101 R C -1.105 175.415 176.300 0.366 0.000 0.963 101 R CA -0.722 55.657 56.100 0.464 0.000 0.901 101 R CB 2.345 32.851 30.300 0.342 0.000 1.160 101 R HN 0.517 nan 8.270 nan 0.000 0.457 102 S N 0.472 116.430 115.700 0.430 0.000 2.541 102 S HA 0.459 4.929 4.470 -0.000 0.000 0.280 102 S C -1.000 173.829 174.600 0.382 0.000 1.112 102 S CA -0.770 57.637 58.200 0.346 0.000 0.925 102 S CB 2.236 65.691 63.200 0.424 0.000 1.067 102 S HN 0.473 nan 8.310 nan 0.000 0.479 103 S N 1.634 117.475 115.700 0.235 0.000 2.482 103 S HA 0.778 5.248 4.470 -0.000 0.000 0.303 103 S C -0.113 174.641 174.600 0.256 0.000 1.091 103 S CA -0.764 57.589 58.200 0.254 0.000 1.057 103 S CB 1.448 64.717 63.200 0.114 0.000 1.031 103 S HN 0.714 nan 8.310 nan 0.000 0.485 104 V N 0.029 120.094 119.914 0.252 0.000 3.113 104 V HA 0.689 4.809 4.120 -0.000 0.000 0.316 104 V C -0.102 176.088 176.094 0.160 0.000 1.125 104 V CA -0.808 61.569 62.300 0.128 0.000 1.026 104 V CB 0.943 32.685 31.823 -0.136 0.000 1.080 104 V HN 0.971 nan 8.190 nan 0.000 0.444 105 H N -1.341 117.845 119.070 0.194 0.000 2.886 105 H HA -0.192 4.364 4.556 0.000 0.000 0.294 105 H C -0.561 174.915 175.328 0.247 0.000 1.246 105 H CA 1.082 57.232 56.048 0.170 0.000 1.142 105 H CB -1.819 27.908 29.762 -0.059 0.000 1.358 105 H HN 0.949 nan 8.280 nan 0.000 0.406 106 Y N 1.231 121.666 120.300 0.226 0.000 2.402 106 Y HA 0.348 4.898 4.550 0.000 0.000 0.333 106 Y C 1.202 177.186 175.900 0.140 0.000 1.076 106 Y CA 1.187 59.358 58.100 0.119 0.000 1.299 106 Y CB 0.624 39.080 38.460 -0.006 0.000 1.197 106 Y HN 0.491 nan 8.280 nan 0.000 0.517 107 S N 3.530 118.988 115.700 -0.402 0.000 3.307 107 S HA -0.270 4.200 4.470 -0.000 0.000 0.634 107 S C -0.927 173.712 174.600 0.065 0.000 2.711 107 S CA 0.971 58.992 58.200 -0.299 0.000 2.940 107 S CB -0.647 62.205 63.200 -0.580 0.000 0.331 107 S HN 0.877 nan 8.310 nan 0.000 1.766 108 Q N 0.166 120.000 119.800 0.058 0.000 2.321 108 Q HA 0.512 4.851 4.340 -0.000 0.000 0.270 108 Q C 0.479 176.551 176.000 0.119 0.000 1.032 108 Q CA -0.054 55.785 55.803 0.058 0.000 0.784 108 Q CB 1.596 30.312 28.738 -0.037 0.000 1.264 108 Q HN 1.749 nan 8.270 nan 0.000 0.448 109 G N 2.022 110.906 108.800 0.141 0.000 2.273 109 G HA2 -0.332 3.627 3.960 -0.000 0.000 0.280 109 G HA3 -0.332 3.627 3.960 -0.000 0.000 0.280 109 G C -0.706 174.323 174.900 0.216 0.000 1.047 109 G CA 0.313 45.503 45.100 0.151 0.000 0.869 109 G HN 0.603 nan 8.290 nan 0.000 0.502 110 Y N 0.958 121.342 120.300 0.139 0.000 2.383 110 Y HA 0.473 5.023 4.550 -0.000 0.000 0.344 110 Y C 0.604 176.592 175.900 0.147 0.000 0.986 110 Y CA -1.413 56.783 58.100 0.159 0.000 1.175 110 Y CB 0.687 39.283 38.460 0.227 0.000 1.152 110 Y HN 0.119 nan 8.280 nan 0.000 0.511 111 N N 5.929 124.432 118.700 -0.329 0.000 3.091 111 N HA 0.053 4.792 4.740 -0.000 0.000 0.301 111 N C -0.857 174.317 175.510 -0.560 0.000 1.325 111 N CA 0.208 53.114 53.050 -0.239 0.000 1.143 111 N CB -0.584 37.957 38.487 0.090 0.000 1.450 111 N HN 0.621 nan 8.380 nan 0.000 0.542 112 N N -0.218 118.126 118.700 -0.594 0.000 3.116 112 N HA 0.594 5.334 4.740 -0.000 0.000 0.244 112 N C -1.911 173.597 175.510 -0.004 0.000 1.485 112 N CA -0.403 52.416 53.050 -0.386 0.000 0.884 112 N CB 1.806 40.060 38.487 -0.389 0.000 1.415 112 N HN 0.068 nan 8.380 nan 0.000 0.524 113 A N 0.532 123.400 122.820 0.080 0.000 2.574 113 A HA 0.782 5.102 4.320 -0.000 0.000 0.297 113 A C -1.802 175.867 177.584 0.143 0.000 1.062 113 A CA -0.559 51.490 52.037 0.021 0.000 0.686 113 A CB 0.744 19.726 19.000 -0.031 0.000 1.285 113 A HN 0.619 nan 8.150 nan 0.000 0.403 114 F N -1.340 118.524 119.950 -0.144 0.000 2.719 114 F HA 0.679 5.206 4.527 -0.001 0.000 0.309 114 F C -1.053 174.734 175.800 -0.023 0.000 1.138 114 F CA -1.326 56.661 58.000 -0.022 0.000 0.943 114 F CB 1.023 40.000 39.000 -0.038 0.000 1.304 114 F HN 0.803 nan 8.300 nan 0.000 0.445 115 W N 5.313 126.688 121.300 0.124 0.000 2.335 115 W HA 0.261 4.921 4.660 0.000 0.000 0.306 115 W C -0.371 176.209 176.519 0.102 0.000 1.216 115 W CA -0.426 56.940 57.345 0.035 0.000 1.237 115 W CB 1.439 30.961 29.460 0.103 0.000 1.243 115 W HN 0.859 nan 8.180 nan 0.000 0.493 116 N N 4.276 122.634 118.700 -0.569 0.000 2.268 116 N HA 0.124 4.864 4.740 -0.000 0.000 0.204 116 N C 1.091 176.217 175.510 -0.638 0.000 1.124 116 N CA 0.546 53.381 53.050 -0.359 0.000 0.838 116 N CB 0.314 38.718 38.487 -0.137 0.000 0.994 116 N HN 0.776 nan 8.380 nan 0.000 0.489 117 G N -1.036 107.063 108.800 -1.169 0.000 2.254 117 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.225 117 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.225 117 G C 0.839 175.392 174.900 -0.578 0.000 1.003 117 G CA 0.351 45.125 45.100 -0.544 0.000 0.622 117 G HN 0.424 nan 8.290 nan 0.000 0.507 118 S N 0.080 115.220 115.700 -0.934 0.000 2.653 118 S HA 0.423 4.893 4.470 -0.000 0.000 0.259 118 S C 0.237 174.388 174.600 -0.749 0.000 1.076 118 S CA 0.964 58.818 58.200 -0.578 0.000 1.051 118 S CB 1.020 64.045 63.200 -0.292 0.000 0.994 118 S HN 1.091 nan 8.310 nan 0.000 0.552 119 E N -0.187 119.370 120.200 -1.071 0.000 2.439 119 E HA 0.448 4.798 4.350 -0.000 0.000 0.279 119 E C -1.428 174.940 176.600 -0.388 0.000 1.077 119 E CA -0.996 55.117 56.400 -0.480 0.000 0.849 119 E CB 0.526 30.081 29.700 -0.242 0.000 1.408 119 E HN -0.142 nan 8.360 nan 0.000 0.457 120 M N 1.295 120.869 119.600 -0.043 0.000 2.314 120 M HA 0.487 4.967 4.480 -0.000 0.000 0.342 120 M C -0.769 175.266 176.300 -0.442 0.000 1.171 120 M CA -0.872 54.332 55.300 -0.160 0.000 1.098 120 M CB 1.326 33.915 32.600 -0.019 0.000 1.559 120 M HN 0.517 nan 8.290 nan 0.000 0.459 121 V N 3.538 122.934 119.914 -0.863 0.000 2.638 121 V HA 0.458 4.577 4.120 -0.000 0.000 0.306 121 V C -1.551 173.975 176.094 -0.946 0.000 1.052 121 V CA -0.751 60.969 62.300 -0.966 0.000 0.885 121 V CB 2.022 32.825 31.823 -1.700 0.000 0.999 121 V HN 0.710 nan 8.190 nan 0.000 0.424 122 Y N 1.860 122.035 120.300 -0.209 0.000 2.361 122 Y HA 0.725 5.274 4.550 -0.000 0.000 0.337 122 Y C 0.791 176.776 175.900 0.141 0.000 0.965 122 Y CA -0.431 57.651 58.100 -0.031 0.000 1.091 122 Y CB 2.268 40.718 38.460 -0.017 0.000 1.182 122 Y HN 0.774 nan 8.280 nan 0.000 0.450 123 G N 0.977 110.033 108.800 0.428 0.000 2.580 123 G HA2 0.135 4.095 3.960 -0.000 0.000 0.278 123 G HA3 0.135 4.095 3.960 -0.000 0.000 0.278 123 G C 0.069 175.163 174.900 0.322 0.000 1.212 123 G CA -0.469 44.943 45.100 0.521 0.000 0.939 123 G HN 0.667 nan 8.290 nan 0.000 0.513 124 D N -0.330 120.265 120.400 0.325 0.000 2.350 124 D HA 0.236 4.876 4.640 -0.000 0.000 0.213 124 D C 1.582 178.015 176.300 0.221 0.000 1.031 124 D CA 1.243 55.399 54.000 0.261 0.000 0.861 124 D CB 0.264 41.268 40.800 0.340 0.000 0.926 124 D HN 0.893 nan 8.370 nan 0.000 0.520 125 G N 2.042 110.970 108.800 0.213 0.000 2.829 125 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.628 125 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.628 125 G C 0.143 175.157 174.900 0.190 0.000 1.412 125 G CA 0.019 45.250 45.100 0.218 0.000 0.864 125 G HN 0.184 nan 8.290 nan 0.000 0.544 126 D N -0.923 119.579 120.400 0.170 0.000 2.349 126 D HA 0.406 5.046 4.640 -0.000 0.000 0.214 126 D C 1.858 178.212 176.300 0.090 0.000 1.063 126 D CA 1.195 55.263 54.000 0.114 0.000 0.847 126 D CB 0.042 40.894 40.800 0.087 0.000 0.933 126 D HN 2.185 nan 8.370 nan 0.000 0.513 127 G N -0.314 108.548 108.800 0.103 0.000 2.175 127 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.244 127 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.244 127 G C 0.987 175.904 174.900 0.028 0.000 0.982 127 G CA 0.412 45.556 45.100 0.073 0.000 0.641 127 G HN 0.382 nan 8.290 nan 0.000 0.527 128 Q N -1.328 118.478 119.800 0.009 0.000 2.619 128 Q HA 0.101 4.441 4.340 -0.000 0.000 0.230 128 Q C 2.481 178.400 176.000 -0.134 0.000 0.871 128 Q CA 1.135 56.907 55.803 -0.051 0.000 0.934 128 Q CB 0.272 28.988 28.738 -0.037 0.000 1.183 128 Q HN 0.445 nan 8.270 nan 0.000 0.631 129 T N 0.303 114.789 114.554 -0.113 0.000 2.894 129 T HA 0.094 4.444 4.350 -0.000 0.000 0.258 129 T C 0.124 174.564 174.700 -0.433 0.000 1.043 129 T CA 1.015 62.950 62.100 -0.275 0.000 1.141 129 T CB 0.088 68.914 68.868 -0.070 0.000 0.873 129 T HN -0.056 nan 8.240 nan 0.000 0.449 130 F N -0.159 119.792 119.950 0.002 0.000 2.629 130 F HA 0.592 5.119 4.527 -0.000 0.000 0.316 130 F C -0.312 175.516 175.800 0.046 0.000 1.081 130 F CA -1.801 56.230 58.000 0.051 0.000 0.954 130 F CB 1.531 40.585 39.000 0.091 0.000 1.337 130 F HN -0.050 nan 8.300 nan 0.000 0.474 131 I N -0.884 119.859 120.570 0.289 0.000 2.947 131 I HA 0.683 4.853 4.170 -0.000 0.000 0.314 131 I C -2.746 173.491 176.117 0.201 0.000 1.028 131 I CA -2.949 58.468 61.300 0.195 0.000 1.077 131 I CB 1.466 39.545 38.000 0.131 0.000 1.274 131 I HN 0.205 nan 8.210 nan 0.000 0.485 132 P HA -0.003 nan 4.420 nan 0.000 0.259 132 P C 0.262 177.613 177.300 0.085 0.000 1.163 132 P CA 0.331 63.495 63.100 0.107 0.000 0.760 132 P CB 0.375 32.105 31.700 0.050 0.000 0.762 133 L N 3.136 124.413 121.223 0.090 0.000 2.291 133 L HA -0.137 4.202 4.340 -0.000 0.000 0.214 133 L C 2.151 179.066 176.870 0.075 0.000 1.120 133 L CA 1.680 56.576 54.840 0.092 0.000 0.799 133 L CB -0.881 41.221 42.059 0.072 0.000 0.925 133 L HN 0.368 nan 8.230 nan 0.000 0.446 134 S N -1.241 114.380 115.700 -0.132 0.000 2.547 134 S HA -0.041 4.429 4.470 -0.000 0.000 0.235 134 S C 1.971 176.557 174.600 -0.024 0.000 0.980 134 S CA 0.578 58.557 58.200 -0.369 0.000 0.941 134 S CB -0.732 61.982 63.200 -0.810 0.000 0.763 134 S HN 0.395 nan 8.310 nan 0.000 0.532 135 G N 1.085 109.907 108.800 0.036 0.000 2.679 135 G HA2 0.341 4.301 3.960 -0.000 0.000 0.212 135 G HA3 0.341 4.301 3.960 -0.000 0.000 0.212 135 G C 0.513 175.493 174.900 0.134 0.000 1.137 135 G CA 0.131 45.312 45.100 0.134 0.000 0.787 135 G HN 0.676 nan 8.290 nan 0.000 0.534 136 G N 0.026 108.860 108.800 0.058 0.000 2.377 136 G HA2 0.421 4.381 3.960 -0.000 0.000 0.316 136 G HA3 0.421 4.381 3.960 -0.000 0.000 0.316 136 G C 0.713 175.504 174.900 -0.182 0.000 1.115 136 G CA -0.672 44.408 45.100 -0.033 0.000 0.952 136 G HN 0.151 nan 8.290 nan 0.000 0.441 137 I N 1.975 122.269 120.570 -0.461 0.000 2.361 137 I HA -0.149 4.021 4.170 -0.000 0.000 0.251 137 I C 2.154 178.122 176.117 -0.248 0.000 1.133 137 I CA 1.660 62.574 61.300 -0.645 0.000 1.413 137 I CB 0.217 37.688 38.000 -0.883 0.000 1.073 137 I HN 0.575 nan 8.210 nan 0.000 0.424 138 D N 0.164 120.469 120.400 -0.160 0.000 2.224 138 D HA -0.146 4.494 4.640 -0.000 0.000 0.205 138 D C 2.053 178.371 176.300 0.030 0.000 0.965 138 D CA 0.964 54.925 54.000 -0.065 0.000 0.852 138 D CB -0.820 39.939 40.800 -0.068 0.000 0.947 138 D HN 0.281 nan 8.370 nan 0.000 0.494 139 V N 0.599 120.532 119.914 0.032 0.000 2.307 139 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 139 V C 2.798 179.012 176.094 0.200 0.000 1.045 139 V CA 1.150 63.507 62.300 0.096 0.000 1.024 139 V CB -0.332 31.549 31.823 0.096 0.000 0.651 139 V HN 0.121 nan 8.190 nan 0.000 0.449 140 V N 0.411 120.442 119.914 0.195 0.000 2.287 140 V HA -0.293 3.826 4.120 -0.000 0.000 0.248 140 V C 2.680 178.904 176.094 0.217 0.000 1.053 140 V CA 2.305 64.774 62.300 0.281 0.000 1.027 140 V CB -1.086 30.878 31.823 0.235 0.000 0.646 140 V HN 0.570 nan 8.190 nan 0.000 0.447 141 A N -1.009 121.891 122.820 0.135 0.000 1.968 141 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 141 A C 2.057 179.721 177.584 0.133 0.000 1.169 141 A CA 1.908 54.017 52.037 0.120 0.000 0.638 141 A CB -0.817 18.199 19.000 0.026 0.000 0.812 141 A HN 0.798 nan 8.150 nan 0.000 0.446 142 H N -0.430 118.664 119.070 0.041 0.000 2.321 142 H HA -0.109 4.447 4.556 -0.000 0.000 0.300 142 H C 1.947 177.246 175.328 -0.049 0.000 1.087 142 H CA 1.874 57.922 56.048 0.001 0.000 1.319 142 H CB 0.127 29.907 29.762 0.031 0.000 1.379 142 H HN 0.340 nan 8.280 nan 0.000 0.501 143 E N 0.527 120.911 120.200 0.306 0.000 2.107 143 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 143 E C 2.511 179.182 176.600 0.118 0.000 0.982 143 E CA 0.661 57.254 56.400 0.321 0.000 0.809 143 E CB -0.163 29.731 29.700 0.323 0.000 0.756 143 E HN 0.553 nan 8.360 nan 0.000 0.459 144 L N 0.716 121.976 121.223 0.062 0.000 2.201 144 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 144 L C 2.238 178.968 176.870 -0.234 0.000 1.105 144 L CA 1.014 55.792 54.840 -0.103 0.000 0.775 144 L CB -0.324 41.766 42.059 0.051 0.000 0.913 144 L HN 0.081 nan 8.230 nan 0.000 0.440 145 T N -2.331 112.141 114.554 -0.136 0.000 2.995 145 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 145 T C 1.736 176.285 174.700 -0.251 0.000 1.091 145 T CA 0.682 62.685 62.100 -0.162 0.000 1.128 145 T CB -0.218 68.633 68.868 -0.029 0.000 0.891 145 T HN 0.322 nan 8.240 nan 0.000 0.492 146 H N 1.108 120.066 119.070 -0.186 0.000 2.421 146 H HA 0.152 4.708 4.556 -0.000 0.000 0.298 146 H C 2.530 177.633 175.328 -0.374 0.000 1.087 146 H CA 1.154 57.128 56.048 -0.122 0.000 1.330 146 H CB -0.468 29.365 29.762 0.119 0.000 1.388 146 H HN 0.403 nan 8.280 nan 0.000 0.526 147 A N 0.473 122.790 122.820 -0.839 0.000 1.898 147 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 147 A C 2.824 180.226 177.584 -0.303 0.000 1.181 147 A CA 1.460 52.807 52.037 -1.150 0.000 0.620 147 A CB -0.774 16.914 19.000 -2.186 0.000 0.819 147 A HN 0.212 nan 8.150 nan 0.000 0.442 148 V N -0.262 119.474 119.914 -0.297 0.000 2.295 148 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 148 V C 2.741 178.795 176.094 -0.066 0.000 1.049 148 V CA 2.518 64.706 62.300 -0.186 0.000 1.024 148 V CB -1.323 30.267 31.823 -0.388 0.000 0.648 148 V HN 0.594 nan 8.190 nan 0.000 0.447 149 T N -0.449 114.063 114.554 -0.070 0.000 2.746 149 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 149 T C 1.649 176.364 174.700 0.025 0.000 1.039 149 T CA 1.668 63.757 62.100 -0.019 0.000 1.142 149 T CB -0.407 68.470 68.868 0.014 0.000 0.866 149 T HN 0.470 nan 8.240 nan 0.000 0.444 150 D N 0.221 120.669 120.400 0.079 0.000 2.144 150 D HA -0.062 4.577 4.640 -0.000 0.000 0.199 150 D C 1.514 177.798 176.300 -0.025 0.000 0.984 150 D CA 1.129 55.178 54.000 0.081 0.000 0.834 150 D CB -0.279 40.623 40.800 0.170 0.000 0.955 150 D HN 0.480 nan 8.370 nan 0.000 0.465 151 Y N 0.217 120.540 120.300 0.038 0.000 2.544 151 Y HA -0.010 4.540 4.550 -0.000 0.000 0.286 151 Y C 2.136 178.025 175.900 -0.019 0.000 1.141 151 Y CA 0.844 58.966 58.100 0.036 0.000 1.299 151 Y CB 0.169 38.664 38.460 0.059 0.000 1.030 151 Y HN 0.049 nan 8.280 nan 0.000 0.543 152 T N -4.503 110.086 114.554 0.058 0.000 3.066 152 T HA 0.335 4.685 4.350 -0.000 0.000 0.176 152 T C 2.159 176.833 174.700 -0.043 0.000 0.826 152 T CA 0.353 62.440 62.100 -0.023 0.000 1.280 152 T CB -0.809 67.996 68.868 -0.104 0.000 2.214 152 T HN -0.076 nan 8.240 nan 0.000 0.399 153 A N 1.183 123.967 122.820 -0.059 0.000 1.940 153 A HA 0.375 4.694 4.320 -0.000 0.000 0.219 153 A C 2.174 179.738 177.584 -0.033 0.000 1.176 153 A CA 1.954 53.964 52.037 -0.045 0.000 0.631 153 A CB -1.713 17.265 19.000 -0.038 0.000 0.814 153 A HN 2.084 nan 8.150 nan 0.000 0.446 154 G N -1.600 107.182 108.800 -0.030 0.000 2.182 154 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.248 154 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.248 154 G C -0.023 174.853 174.900 -0.041 0.000 1.042 154 G CA 0.139 45.225 45.100 -0.025 0.000 0.775 154 G HN 0.526 nan 8.290 nan 0.000 0.501 155 L N 0.877 122.054 121.223 -0.076 0.000 2.584 155 L HA 0.264 4.604 4.340 -0.000 0.000 0.272 155 L C 1.798 178.560 176.870 -0.179 0.000 1.195 155 L CA -0.160 54.617 54.840 -0.105 0.000 0.920 155 L CB 0.244 42.236 42.059 -0.111 0.000 1.173 155 L HN 0.441 nan 8.230 nan 0.000 0.489 156 I N 0.138 120.660 120.570 -0.080 0.000 2.882 156 I HA 0.015 4.185 4.170 -0.000 0.000 0.286 156 I C -0.330 175.744 176.117 -0.072 0.000 1.139 156 I CA -0.245 61.041 61.300 -0.024 0.000 1.379 156 I CB 0.271 38.291 38.000 0.033 0.000 1.410 156 I HN 0.357 nan 8.210 nan 0.000 0.594 157 Y N 3.248 123.557 120.300 0.015 0.000 2.903 157 Y HA 0.262 4.812 4.550 0.000 0.000 0.387 157 Y C 0.268 176.176 175.900 0.014 0.000 1.189 157 Y CA -0.131 57.973 58.100 0.007 0.000 1.856 157 Y CB -0.420 38.029 38.460 -0.019 0.000 1.917 157 Y HN 0.623 nan 8.280 nan 0.000 0.448 158 Q N -1.237 118.622 119.800 0.098 0.000 2.594 158 Q HA 0.334 4.674 4.340 -0.000 0.000 0.278 158 Q C -0.549 175.482 176.000 0.053 0.000 0.961 158 Q CA -1.046 54.806 55.803 0.082 0.000 0.844 158 Q CB 1.257 30.041 28.738 0.077 0.000 1.475 158 Q HN 0.209 nan 8.270 nan 0.000 0.389 159 N N 1.065 119.796 118.700 0.051 0.000 1.177 159 N HA -0.317 4.422 4.740 -0.000 0.000 0.103 159 N C 0.600 176.115 175.510 0.009 0.000 0.767 159 N CA 1.721 54.783 53.050 0.019 0.000 0.829 159 N CB -0.772 37.709 38.487 -0.009 0.000 0.988 159 N HN 0.888 nan 8.380 nan 0.000 0.668 160 E N 0.422 120.586 120.200 -0.060 0.000 2.110 160 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 160 E C 1.828 178.509 176.600 0.134 0.000 0.988 160 E CA 1.596 57.940 56.400 -0.093 0.000 0.804 160 E CB -0.143 29.367 29.700 -0.317 0.000 0.745 160 E HN 0.476 nan 8.360 nan 0.000 0.458 161 S N 0.359 116.105 115.700 0.076 0.000 2.402 161 S HA -0.085 4.385 4.470 -0.000 0.000 0.229 161 S C 2.065 176.697 174.600 0.052 0.000 1.021 161 S CA 0.865 59.114 58.200 0.081 0.000 0.974 161 S CB -0.256 62.960 63.200 0.027 0.000 0.800 161 S HN 0.422 nan 8.310 nan 0.000 0.484 162 G N 1.415 110.239 108.800 0.039 0.000 2.422 162 G HA2 0.063 4.022 3.960 -0.000 0.000 0.218 162 G HA3 0.063 4.022 3.960 -0.000 0.000 0.218 162 G C 1.512 176.453 174.900 0.069 0.000 1.140 162 G CA 0.668 45.770 45.100 0.003 0.000 0.775 162 G HN 0.584 nan 8.290 nan 0.000 0.545 163 A N 0.719 123.639 122.820 0.167 0.000 1.930 163 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 163 A C 2.349 180.088 177.584 0.258 0.000 1.175 163 A CA 0.988 53.178 52.037 0.255 0.000 0.627 163 A CB -0.289 18.976 19.000 0.442 0.000 0.815 163 A HN 0.367 nan 8.150 nan 0.000 0.443 164 I N -0.051 120.693 120.570 0.290 0.000 2.179 164 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 164 I C 2.508 178.702 176.117 0.129 0.000 1.088 164 I CA 1.359 62.775 61.300 0.192 0.000 1.357 164 I CB -0.468 37.653 38.000 0.202 0.000 1.051 164 I HN 0.374 nan 8.210 nan 0.000 0.409 165 N N 0.960 119.706 118.700 0.076 0.000 2.037 165 N HA -0.240 4.500 4.740 -0.000 0.000 0.196 165 N C 1.780 177.365 175.510 0.125 0.000 1.034 165 N CA 1.748 54.818 53.050 0.033 0.000 0.861 165 N CB -0.113 38.273 38.487 -0.168 0.000 1.039 165 N HN 0.265 nan 8.380 nan 0.000 0.427 166 E N 0.498 120.793 120.200 0.159 0.000 2.077 166 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 166 E C 1.896 178.580 176.600 0.140 0.000 0.989 166 E CA 0.997 57.524 56.400 0.210 0.000 0.800 166 E CB -0.530 29.268 29.700 0.162 0.000 0.746 166 E HN 0.461 nan 8.360 nan 0.000 0.452 167 A N 1.471 124.362 122.820 0.118 0.000 1.898 167 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 167 A C 2.214 179.819 177.584 0.035 0.000 1.181 167 A CA 0.952 53.035 52.037 0.077 0.000 0.620 167 A CB -0.438 18.592 19.000 0.050 0.000 0.819 167 A HN 0.133 nan 8.150 nan 0.000 0.442 168 I N 0.070 120.687 120.570 0.078 0.000 2.208 168 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 168 I C 2.575 178.744 176.117 0.087 0.000 1.097 168 I CA 1.706 63.093 61.300 0.144 0.000 1.363 168 I CB -1.402 36.731 38.000 0.223 0.000 1.051 168 I HN 0.232 nan 8.210 nan 0.000 0.413 169 S N 0.457 116.071 115.700 -0.143 0.000 2.382 169 S HA -0.167 4.302 4.470 -0.000 0.000 0.228 169 S C 1.586 176.060 174.600 -0.209 0.000 1.027 169 S CA 1.265 59.182 58.200 -0.472 0.000 0.991 169 S CB -0.138 62.167 63.200 -1.491 0.000 0.823 169 S HN 0.415 nan 8.310 nan 0.000 0.469 170 D N 1.272 121.684 120.400 0.021 0.000 2.117 170 D HA -0.005 4.635 4.640 -0.000 0.000 0.198 170 D C 1.835 178.148 176.300 0.021 0.000 0.982 170 D CA 0.762 54.864 54.000 0.170 0.000 0.828 170 D CB -0.324 40.583 40.800 0.177 0.000 0.967 170 D HN 0.346 nan 8.370 nan 0.000 0.464 171 I N -0.074 120.446 120.570 -0.083 0.000 2.127 171 I HA -0.282 3.888 4.170 -0.000 0.000 0.241 171 I C 2.044 177.949 176.117 -0.354 0.000 1.075 171 I CA 0.999 62.139 61.300 -0.266 0.000 1.334 171 I CB -0.230 37.459 38.000 -0.519 0.000 1.040 171 I HN -0.087 nan 8.210 nan 0.000 0.405 172 F N 0.793 120.706 119.950 -0.062 0.000 2.325 172 F HA -0.021 4.506 4.527 -0.000 0.000 0.299 172 F C 2.476 178.171 175.800 -0.174 0.000 1.090 172 F CA 1.178 59.118 58.000 -0.100 0.000 1.392 172 F CB -1.180 37.838 39.000 0.029 0.000 1.053 172 F HN 0.004 nan 8.300 nan 0.000 0.521 173 G N -0.892 107.930 108.800 0.036 0.000 2.418 173 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.217 173 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.217 173 G C 1.784 176.626 174.900 -0.096 0.000 1.158 173 G CA 1.555 46.655 45.100 0.001 0.000 0.771 173 G HN 0.279 nan 8.290 nan 0.000 0.545 174 T N 1.219 115.704 114.554 -0.114 0.000 2.777 174 T HA 0.012 4.362 4.350 -0.000 0.000 0.266 174 T C 2.437 177.043 174.700 -0.158 0.000 1.040 174 T CA 0.749 62.744 62.100 -0.176 0.000 1.141 174 T CB -0.190 68.542 68.868 -0.227 0.000 0.868 174 T HN 0.145 nan 8.240 nan 0.000 0.444 175 L N 0.768 121.858 121.223 -0.222 0.000 2.131 175 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 175 L C 2.574 179.267 176.870 -0.296 0.000 1.092 175 L CA 0.795 55.512 54.840 -0.205 0.000 0.759 175 L CB -0.631 41.306 42.059 -0.203 0.000 0.903 175 L HN 0.158 nan 8.230 nan 0.000 0.435 176 V N -0.119 119.509 119.914 -0.476 0.000 2.427 176 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 176 V C 2.453 178.475 176.094 -0.121 0.000 1.051 176 V CA 1.848 63.885 62.300 -0.438 0.000 1.048 176 V CB -0.351 31.241 31.823 -0.386 0.000 0.666 176 V HN 0.500 nan 8.190 nan 0.000 0.456 177 E N -0.345 119.759 120.200 -0.160 0.000 2.110 177 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 177 E C 2.036 178.504 176.600 -0.221 0.000 0.988 177 E CA 1.384 57.664 56.400 -0.200 0.000 0.804 177 E CB -0.143 29.390 29.700 -0.279 0.000 0.745 177 E HN 0.598 nan 8.360 nan 0.000 0.458 178 F N -0.558 119.285 119.950 -0.178 0.000 2.206 178 F HA -0.109 4.417 4.527 -0.000 0.000 0.298 178 F C 2.152 177.934 175.800 -0.031 0.000 1.090 178 F CA 1.185 59.108 58.000 -0.128 0.000 1.323 178 F CB -0.436 38.468 39.000 -0.160 0.000 1.028 178 F HN 0.160 nan 8.300 nan 0.000 0.492 179 Y N 0.660 121.001 120.300 0.068 0.000 2.224 179 Y HA -0.161 4.388 4.550 -0.000 0.000 0.289 179 Y C 2.156 178.084 175.900 0.045 0.000 1.146 179 Y CA 1.297 59.442 58.100 0.075 0.000 1.182 179 Y CB -0.506 38.013 38.460 0.099 0.000 0.983 179 Y HN -0.043 nan 8.280 nan 0.000 0.524 180 A N -0.096 122.728 122.820 0.007 0.000 2.251 180 A HA 0.042 4.362 4.320 -0.000 0.000 0.209 180 A C 0.964 178.500 177.584 -0.081 0.000 1.187 180 A CA 0.646 52.636 52.037 -0.079 0.000 0.823 180 A CB -0.649 18.387 19.000 0.059 0.000 0.846 180 A HN 0.595 nan 8.150 nan 0.000 0.486 181 N N -0.152 118.499 118.700 -0.080 0.000 2.705 181 N HA -0.156 4.584 4.740 -0.000 0.000 0.255 181 N C -0.397 175.054 175.510 -0.098 0.000 1.008 181 N CA 0.810 53.808 53.050 -0.088 0.000 0.742 181 N CB -1.349 37.102 38.487 -0.059 0.000 0.906 181 N HN 0.561 nan 8.380 nan 0.000 0.541 182 K N 1.519 121.840 120.400 -0.130 0.000 2.333 182 K HA 0.115 4.434 4.320 -0.000 0.000 0.241 182 K C -0.123 176.388 176.600 -0.148 0.000 1.193 182 K CA -0.412 55.812 56.287 -0.105 0.000 1.142 182 K CB -0.246 32.196 32.500 -0.096 0.000 1.731 182 K HN 0.300 nan 8.250 nan 0.000 0.344 183 N N 2.408 121.027 118.700 -0.134 0.000 2.650 183 N HA -0.138 4.602 4.740 -0.000 0.000 0.272 183 N C -2.572 172.786 175.510 -0.252 0.000 1.058 183 N CA 0.414 53.378 53.050 -0.143 0.000 0.765 183 N CB -0.551 37.880 38.487 -0.094 0.000 0.902 183 N HN 0.397 nan 8.380 nan 0.000 0.551 184 P HA 0.257 nan 4.420 nan 0.000 0.274 184 P C -0.182 176.700 177.300 -0.696 0.000 1.231 184 P CA 0.264 62.872 63.100 -0.819 0.000 0.790 184 P CB 0.896 31.617 31.700 -1.632 0.000 0.951 185 D N -0.689 119.306 120.400 -0.675 0.000 2.779 185 D HA 0.239 4.879 4.640 -0.000 0.000 0.331 185 D C -1.224 174.949 176.300 -0.212 0.000 1.331 185 D CA -0.596 53.258 54.000 -0.242 0.000 0.866 185 D CB -0.148 40.622 40.800 -0.051 0.000 1.409 185 D HN 0.228 nan 8.370 nan 0.000 0.486 186 W N 0.211 121.581 121.300 0.117 0.000 3.015 186 W HA 0.355 5.015 4.660 -0.000 0.000 0.429 186 W C -0.058 176.483 176.519 0.037 0.000 0.976 186 W CA -0.396 57.024 57.345 0.125 0.000 2.086 186 W CB 0.513 30.065 29.460 0.154 0.000 1.125 186 W HN 0.067 nan 8.180 nan 0.000 0.721 187 E N 0.526 120.809 120.200 0.139 0.000 2.243 187 E HA 0.428 4.778 4.350 -0.000 0.000 0.260 187 E C -0.243 176.388 176.600 0.052 0.000 0.985 187 E CA -0.777 55.688 56.400 0.110 0.000 0.858 187 E CB 2.253 32.010 29.700 0.096 0.000 1.210 187 E HN -0.212 nan 8.360 nan 0.000 0.411 188 I N 0.320 120.906 120.570 0.028 0.000 2.406 188 I HA 0.264 4.434 4.170 -0.000 0.000 0.290 188 I C 1.005 177.094 176.117 -0.047 0.000 0.999 188 I CA -0.196 61.099 61.300 -0.009 0.000 1.124 188 I CB 0.693 38.692 38.000 -0.001 0.000 1.289 188 I HN 0.794 nan 8.210 nan 0.000 0.441 189 G N 5.234 114.023 108.800 -0.019 0.000 2.136 189 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.242 189 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.242 189 G C 0.909 175.846 174.900 0.062 0.000 0.989 189 G CA 0.487 45.604 45.100 0.029 0.000 0.682 189 G HN 0.756 nan 8.290 nan 0.000 0.522 190 E N 0.685 120.906 120.200 0.035 0.000 2.204 190 E HA -0.089 4.260 4.350 -0.000 0.000 0.194 190 E C 1.229 177.873 176.600 0.073 0.000 0.989 190 E CA 1.436 57.875 56.400 0.066 0.000 0.824 190 E CB -0.278 29.449 29.700 0.046 0.000 0.756 190 E HN 0.412 nan 8.360 nan 0.000 0.477 191 D N 1.046 121.479 120.400 0.055 0.000 2.277 191 D HA -0.059 4.581 4.640 -0.000 0.000 0.208 191 D C 1.808 178.165 176.300 0.095 0.000 0.962 191 D CA 1.461 55.493 54.000 0.053 0.000 0.865 191 D CB 0.526 41.341 40.800 0.025 0.000 0.939 191 D HN 0.336 nan 8.370 nan 0.000 0.510 192 V N -2.779 117.231 119.914 0.160 0.000 3.432 192 V HA 0.244 4.364 4.120 -0.000 0.000 0.298 192 V C 0.111 176.378 176.094 0.289 0.000 1.464 192 V CA -0.708 61.730 62.300 0.231 0.000 1.046 192 V CB -0.725 31.273 31.823 0.293 0.000 0.887 192 V HN -0.121 nan 8.190 nan 0.000 0.441 193 Y N 3.197 123.489 120.300 -0.013 0.000 2.310 193 Y HA 0.487 5.037 4.550 -0.000 0.000 0.326 193 Y C 1.199 176.945 175.900 -0.257 0.000 1.151 193 Y CA 0.049 57.949 58.100 -0.333 0.000 1.195 193 Y CB 1.039 39.312 38.460 -0.311 0.000 1.210 193 Y HN 0.587 nan 8.280 nan 0.000 0.483 194 T N 4.963 119.051 114.554 -0.776 0.000 2.835 194 T HA -0.130 4.220 4.350 -0.000 0.000 0.469 194 T C -1.885 172.656 174.700 -0.264 0.000 0.780 194 T CA 0.117 61.872 62.100 -0.575 0.000 2.422 194 T CB -1.167 67.235 68.868 -0.775 0.000 1.640 194 T HN 0.678 nan 8.240 nan 0.000 0.525 195 P HA -0.070 nan 4.420 nan 0.000 0.218 195 P C 1.781 179.040 177.300 -0.068 0.000 1.146 195 P CA 1.614 64.672 63.100 -0.070 0.000 0.813 195 P CB -0.485 31.198 31.700 -0.028 0.000 0.778 196 G N -0.917 107.829 108.800 -0.091 0.000 2.712 196 G HA2 0.070 4.030 3.960 -0.000 0.000 0.212 196 G HA3 0.070 4.030 3.960 -0.000 0.000 0.212 196 G C 0.703 175.560 174.900 -0.072 0.000 1.142 196 G CA -0.015 45.042 45.100 -0.071 0.000 0.789 196 G HN 0.255 nan 8.290 nan 0.000 0.535 197 I N 1.220 121.733 120.570 -0.095 0.000 2.362 197 I HA 0.273 4.443 4.170 -0.000 0.000 0.289 197 I C -0.259 175.834 176.117 -0.040 0.000 0.994 197 I CA -0.469 60.789 61.300 -0.069 0.000 1.158 197 I CB 2.084 40.025 38.000 -0.098 0.000 1.315 197 I HN -0.150 nan 8.210 nan 0.000 0.451 198 S N 3.257 118.948 115.700 -0.015 0.000 2.632 198 S HA 0.552 5.022 4.470 -0.000 0.000 0.271 198 S C 1.021 175.634 174.600 0.022 0.000 1.260 198 S CA 0.449 58.651 58.200 0.002 0.000 1.010 198 S CB 1.489 64.691 63.200 0.003 0.000 0.965 198 S HN 1.073 nan 8.310 nan 0.000 0.534 199 G N 1.440 110.262 108.800 0.038 0.000 2.205 199 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.261 199 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.261 199 G C -0.126 174.840 174.900 0.109 0.000 0.980 199 G CA 0.460 45.596 45.100 0.060 0.000 0.632 199 G HN 0.788 nan 8.290 nan 0.000 0.533 200 D N 0.170 120.649 120.400 0.132 0.000 2.588 200 D HA 0.814 5.454 4.640 -0.000 0.000 0.268 200 D C 0.551 176.975 176.300 0.208 0.000 1.176 200 D CA 0.216 54.358 54.000 0.237 0.000 1.080 200 D CB 1.199 42.138 40.800 0.231 0.000 1.186 200 D HN 1.093 nan 8.370 nan 0.000 0.619 201 S N -2.036 113.723 115.700 0.098 0.000 2.683 201 S HA 0.273 4.743 4.470 -0.000 0.000 0.269 201 S C 0.189 174.353 174.600 -0.726 0.000 1.165 201 S CA -0.734 57.394 58.200 -0.120 0.000 0.840 201 S CB 0.716 63.908 63.200 -0.013 0.000 1.169 201 S HN 0.297 nan 8.310 nan 0.000 0.490 202 L N 0.723 121.467 121.223 -0.798 0.000 2.084 202 L HA 0.486 4.826 4.340 -0.000 0.000 0.202 202 L C 0.931 177.481 176.870 -0.533 0.000 1.074 202 L CA 1.501 55.830 54.840 -0.852 0.000 0.757 202 L CB -0.449 41.291 42.059 -0.532 0.000 0.918 202 L HN 0.711 nan 8.230 nan 0.000 0.444 203 R N -2.110 118.244 120.500 -0.243 0.000 2.888 203 R HA 0.529 4.869 4.340 -0.000 0.000 0.264 203 R C -1.120 175.298 176.300 0.197 0.000 1.045 203 R CA -0.627 55.485 56.100 0.020 0.000 0.962 203 R CB 1.791 32.120 30.300 0.049 0.000 1.210 203 R HN -0.024 nan 8.270 nan 0.000 0.479 204 S N 0.516 116.375 115.700 0.265 0.000 2.532 204 S HA 0.317 4.787 4.470 -0.000 0.000 0.299 204 S C 0.513 175.155 174.600 0.071 0.000 1.105 204 S CA -0.637 57.661 58.200 0.163 0.000 1.018 204 S CB 1.307 64.558 63.200 0.085 0.000 1.021 204 S HN 0.648 nan 8.310 nan 0.000 0.483 205 M N 2.933 122.579 119.600 0.077 0.000 2.435 205 M HA 0.020 4.499 4.480 -0.000 0.000 0.265 205 M C 2.108 178.267 176.300 -0.236 0.000 1.104 205 M CA 0.839 56.160 55.300 0.035 0.000 1.140 205 M CB -0.230 32.518 32.600 0.246 0.000 1.372 205 M HN 0.787 nan 8.290 nan 0.000 0.456 206 S N -0.912 114.531 115.700 -0.428 0.000 2.446 206 S HA -0.043 4.427 4.470 -0.000 0.000 0.225 206 S C 0.539 174.750 174.600 -0.649 0.000 1.016 206 S CA 0.675 58.183 58.200 -1.154 0.000 0.943 206 S CB 0.022 62.579 63.200 -1.071 0.000 0.786 206 S HN 0.391 nan 8.310 nan 0.000 0.508 207 D N 0.919 121.118 120.400 -0.335 0.000 2.527 207 D HA 0.396 5.036 4.640 -0.000 0.000 0.242 207 D C -2.554 173.667 176.300 -0.131 0.000 1.285 207 D CA -1.925 51.944 54.000 -0.217 0.000 0.886 207 D CB 1.415 42.094 40.800 -0.201 0.000 1.402 207 D HN -0.094 nan 8.370 nan 0.000 0.528 208 P HA -0.078 nan 4.420 nan 0.000 0.218 208 P C 1.220 178.534 177.300 0.024 0.000 1.148 208 P CA 1.093 64.204 63.100 0.019 0.000 0.822 208 P CB 0.278 32.011 31.700 0.055 0.000 0.784 209 A N 0.394 123.219 122.820 0.008 0.000 2.121 209 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 209 A C 2.222 179.767 177.584 -0.066 0.000 1.154 209 A CA 1.538 53.584 52.037 0.014 0.000 0.679 209 A CB -1.176 17.849 19.000 0.043 0.000 0.795 209 A HN 0.243 nan 8.150 nan 0.000 0.458 210 K N -1.257 119.027 120.400 -0.194 0.000 2.152 210 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 210 K C 0.630 176.955 176.600 -0.458 0.000 1.048 210 K CA 1.722 57.780 56.287 -0.382 0.000 0.933 210 K CB -0.329 31.840 32.500 -0.551 0.000 0.721 210 K HN 0.491 nan 8.250 nan 0.000 0.447 211 Y N -0.263 120.044 120.300 0.013 0.000 2.524 211 Y HA 0.320 4.870 4.550 -0.000 0.000 0.266 211 Y C 1.167 177.080 175.900 0.021 0.000 1.180 211 Y CA -0.153 57.956 58.100 0.014 0.000 1.244 211 Y CB 0.854 39.315 38.460 0.002 0.000 1.125 211 Y HN 0.355 nan 8.280 nan 0.000 0.524 212 G N -0.231 108.630 108.800 0.102 0.000 2.157 212 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.248 212 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.248 212 G C -0.257 174.702 174.900 0.100 0.000 0.979 212 G CA 0.009 45.163 45.100 0.090 0.000 0.650 212 G HN 0.262 nan 8.290 nan 0.000 0.529 213 D N 1.390 121.860 120.400 0.116 0.000 2.283 213 D HA 0.476 5.116 4.640 -0.000 0.000 0.248 213 D C -1.872 174.507 176.300 0.132 0.000 1.072 213 D CA -1.247 52.826 54.000 0.122 0.000 0.929 213 D CB 1.370 42.250 40.800 0.134 0.000 1.182 213 D HN 0.153 nan 8.370 nan 0.000 0.433 214 P HA 0.082 nan 4.420 nan 0.000 0.271 214 P C -0.207 177.216 177.300 0.205 0.000 1.216 214 P CA -0.147 63.063 63.100 0.182 0.000 0.776 214 P CB 0.737 32.550 31.700 0.189 0.000 0.881 215 D N -0.449 120.117 120.400 0.276 0.000 2.535 215 D HA 0.105 4.745 4.640 -0.000 0.000 0.229 215 D C 0.039 176.637 176.300 0.496 0.000 1.238 215 D CA 0.045 54.242 54.000 0.328 0.000 0.824 215 D CB -0.265 40.737 40.800 0.338 0.000 1.045 215 D HN 0.409 nan 8.370 nan 0.000 0.500 216 H N -0.781 118.448 119.070 0.265 0.000 3.079 216 H HA 0.078 4.634 4.556 -0.000 0.000 0.356 216 H C -0.935 174.509 175.328 0.193 0.000 1.221 216 H CA -0.549 55.606 56.048 0.180 0.000 1.185 216 H CB 1.274 30.965 29.762 -0.118 0.000 1.882 216 H HN -0.168 nan 8.280 nan 0.000 0.543 217 Y N 2.934 123.098 120.300 -0.226 0.000 2.352 217 Y HA -0.200 4.350 4.550 -0.000 0.000 0.292 217 Y C 2.409 178.389 175.900 0.133 0.000 1.136 217 Y CA 2.260 60.378 58.100 0.031 0.000 1.227 217 Y CB 0.117 38.569 38.460 -0.012 0.000 0.991 217 Y HN 0.568 nan 8.280 nan 0.000 0.545 218 S N -0.833 115.078 115.700 0.353 0.000 2.474 218 S HA -0.125 4.345 4.470 -0.000 0.000 0.235 218 S C 1.434 176.069 174.600 0.059 0.000 0.997 218 S CA 0.988 59.291 58.200 0.171 0.000 0.949 218 S CB -0.351 62.942 63.200 0.156 0.000 0.766 218 S HN 0.495 nan 8.310 nan 0.000 0.517 219 K N 1.430 121.889 120.400 0.098 0.000 2.397 219 K HA 0.164 4.484 4.320 -0.000 0.000 0.202 219 K C 0.517 177.156 176.600 0.064 0.000 1.022 219 K CA -0.391 55.943 56.287 0.077 0.000 1.141 219 K CB 0.323 32.899 32.500 0.127 0.000 0.857 219 K HN 0.551 nan 8.250 nan 0.000 0.514 220 R N 0.477 120.965 120.500 -0.020 0.000 2.784 220 R HA -0.018 4.322 4.340 -0.000 0.000 0.266 220 R C -0.591 175.725 176.300 0.026 0.000 1.044 220 R CA -0.265 55.829 56.100 -0.011 0.000 1.151 220 R CB 0.114 30.289 30.300 -0.207 0.000 1.037 220 R HN -0.058 nan 8.270 nan 0.000 0.478 221 Y N 1.749 122.036 120.300 -0.021 0.000 2.336 221 Y HA 0.104 4.654 4.550 -0.000 0.000 0.335 221 Y C 0.664 176.540 175.900 -0.039 0.000 1.046 221 Y CA 0.284 58.379 58.100 -0.010 0.000 1.198 221 Y CB 1.336 39.813 38.460 0.030 0.000 1.182 221 Y HN 0.839 nan 8.280 nan 0.000 0.502 222 T N 1.338 115.454 114.554 -0.730 0.000 3.044 222 T HA 0.376 4.726 4.350 -0.000 0.000 0.260 222 T C 0.891 175.191 174.700 -0.668 0.000 1.019 222 T CA 0.158 61.925 62.100 -0.556 0.000 0.921 222 T CB -0.280 68.399 68.868 -0.315 0.000 1.053 222 T HN 0.730 nan 8.240 nan 0.000 0.533 223 G N 1.695 109.768 108.800 -1.211 0.000 2.485 223 G HA2 0.373 4.333 3.960 -0.000 0.000 0.260 223 G HA3 0.373 4.333 3.960 -0.000 0.000 0.260 223 G C 1.038 175.840 174.900 -0.162 0.000 1.459 223 G CA 0.451 45.228 45.100 -0.538 0.000 1.060 223 G HN 0.396 nan 8.290 nan 0.000 0.546 224 T N -2.921 111.690 114.554 0.095 0.000 3.001 224 T HA 0.208 4.558 4.350 -0.000 0.000 0.251 224 T C 0.907 175.732 174.700 0.207 0.000 1.040 224 T CA -0.039 62.139 62.100 0.131 0.000 0.985 224 T CB 0.213 69.124 68.868 0.071 0.000 1.011 224 T HN 0.273 nan 8.240 nan 0.000 0.509 225 Q N 1.904 121.882 119.800 0.296 0.000 2.474 225 Q HA 0.130 4.470 4.340 -0.000 0.000 0.256 225 Q C 0.212 176.307 176.000 0.158 0.000 1.048 225 Q CA 0.612 56.517 55.803 0.170 0.000 0.922 225 Q CB 0.135 28.924 28.738 0.086 0.000 1.288 225 Q HN 0.521 nan 8.270 nan 0.000 0.484 226 D N 0.881 121.344 120.400 0.106 0.000 2.708 226 D HA -0.250 4.390 4.640 -0.000 0.000 0.236 226 D C -0.964 175.429 176.300 0.155 0.000 1.146 226 D CA 1.158 55.240 54.000 0.137 0.000 0.662 226 D CB -1.625 39.252 40.800 0.128 0.000 1.059 226 D HN 0.894 nan 8.370 nan 0.000 0.428 227 N N -1.060 117.718 118.700 0.130 0.000 2.725 227 N HA -0.174 4.566 4.740 -0.000 0.000 0.251 227 N C 0.795 176.381 175.510 0.127 0.000 1.031 227 N CA 1.195 54.314 53.050 0.114 0.000 0.720 227 N CB -1.125 37.428 38.487 0.110 0.000 0.930 227 N HN 0.875 nan 8.380 nan 0.000 0.543 228 G N -1.499 107.401 108.800 0.167 0.000 2.149 228 G HA2 0.052 4.012 3.960 -0.000 0.000 0.235 228 G HA3 0.052 4.012 3.960 -0.000 0.000 0.235 228 G C 0.790 175.853 174.900 0.271 0.000 1.018 228 G CA 0.501 45.706 45.100 0.176 0.000 0.728 228 G HN 1.546 nan 8.290 nan 0.000 0.508 229 G N -2.203 106.787 108.800 0.317 0.000 2.182 229 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.248 229 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.248 229 G C 1.705 176.717 174.900 0.185 0.000 1.042 229 G CA 1.464 46.731 45.100 0.277 0.000 0.775 229 G HN 2.173 nan 8.290 nan 0.000 0.501 230 V N -3.330 116.658 119.914 0.122 0.000 2.490 230 V HA -0.092 4.028 4.120 -0.000 0.000 0.250 230 V C 2.033 178.105 176.094 -0.036 0.000 1.061 230 V CA 2.613 64.934 62.300 0.036 0.000 1.064 230 V CB -0.662 31.141 31.823 -0.033 0.000 0.670 230 V HN 0.522 nan 8.190 nan 0.000 0.461 231 H N -0.527 118.633 119.070 0.150 0.000 2.544 231 H HA 0.374 4.930 4.556 -0.000 0.000 0.269 231 H C 1.976 177.372 175.328 0.113 0.000 0.970 231 H CA 1.299 57.428 56.048 0.136 0.000 1.219 231 H CB 0.137 29.954 29.762 0.092 0.000 1.421 231 H HN 0.421 nan 8.280 nan 0.000 0.555 232 I N -0.021 120.666 120.570 0.195 0.000 2.512 232 I HA -0.127 4.043 4.170 -0.000 0.000 0.247 232 I C 1.397 177.628 176.117 0.190 0.000 1.094 232 I CA 0.486 61.874 61.300 0.147 0.000 1.427 232 I CB 0.047 38.078 38.000 0.053 0.000 1.149 232 I HN 0.165 nan 8.210 nan 0.000 0.438 233 N N 0.828 119.669 118.700 0.235 0.000 2.550 233 N HA -0.082 4.657 4.740 -0.000 0.000 0.186 233 N C 1.846 177.569 175.510 0.356 0.000 1.110 233 N CA 1.134 54.375 53.050 0.318 0.000 0.912 233 N CB -0.157 38.531 38.487 0.335 0.000 0.968 233 N HN 0.346 nan 8.380 nan 0.000 0.448 234 S N -1.007 114.846 115.700 0.255 0.000 2.474 234 S HA -0.015 4.455 4.470 -0.000 0.000 0.235 234 S C 2.081 176.760 174.600 0.133 0.000 0.997 234 S CA 0.790 59.105 58.200 0.190 0.000 0.949 234 S CB -0.633 62.670 63.200 0.171 0.000 0.766 234 S HN 0.295 nan 8.310 nan 0.000 0.517 235 G N 2.161 111.052 108.800 0.151 0.000 2.450 235 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.220 235 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.220 235 G C 1.298 176.248 174.900 0.083 0.000 1.130 235 G CA 0.901 46.069 45.100 0.113 0.000 0.760 235 G HN 0.588 nan 8.290 nan 0.000 0.557 236 I N 0.715 121.356 120.570 0.119 0.000 2.252 236 I HA -0.119 4.050 4.170 -0.000 0.000 0.245 236 I C 2.400 178.474 176.117 -0.072 0.000 1.102 236 I CA 0.586 61.937 61.300 0.085 0.000 1.385 236 I CB -0.097 38.049 38.000 0.244 0.000 1.064 236 I HN 0.074 nan 8.210 nan 0.000 0.414 237 I N 0.620 121.096 120.570 -0.158 0.000 2.353 237 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 237 I C 2.118 178.150 176.117 -0.142 0.000 1.119 237 I CA 1.264 62.445 61.300 -0.199 0.000 1.417 237 I CB -1.552 36.327 38.000 -0.202 0.000 1.078 237 I HN 0.285 nan 8.210 nan 0.000 0.421 238 N N 1.520 120.177 118.700 -0.072 0.000 2.120 238 N HA -0.217 4.523 4.740 -0.000 0.000 0.188 238 N C 1.843 177.311 175.510 -0.070 0.000 1.024 238 N CA 1.239 54.262 53.050 -0.045 0.000 0.852 238 N CB -0.278 38.224 38.487 0.025 0.000 1.003 238 N HN 0.273 nan 8.380 nan 0.000 0.424 239 K N 1.134 121.480 120.400 -0.091 0.000 2.097 239 K HA 0.076 4.395 4.320 -0.000 0.000 0.205 239 K C 1.781 178.277 176.600 -0.173 0.000 1.050 239 K CA 1.230 57.433 56.287 -0.140 0.000 0.938 239 K CB -0.471 31.929 32.500 -0.166 0.000 0.718 239 K HN 0.103 nan 8.250 nan 0.000 0.442 240 A N 0.632 123.309 122.820 -0.238 0.000 1.908 240 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 240 A C 2.392 179.786 177.584 -0.316 0.000 1.181 240 A CA 2.102 53.917 52.037 -0.371 0.000 0.627 240 A CB -1.123 17.447 19.000 -0.717 0.000 0.818 240 A HN 0.447 nan 8.150 nan 0.000 0.445 241 A N -1.669 120.986 122.820 -0.275 0.000 1.930 241 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 241 A C 2.129 179.561 177.584 -0.254 0.000 1.175 241 A CA 1.594 53.455 52.037 -0.293 0.000 0.627 241 A CB -0.777 17.979 19.000 -0.407 0.000 0.815 241 A HN 0.770 nan 8.150 nan 0.000 0.443 242 Y N 0.549 120.620 120.300 -0.381 0.000 2.181 242 Y HA -0.158 4.392 4.550 -0.000 0.000 0.288 242 Y C 1.886 177.456 175.900 -0.549 0.000 1.146 242 Y CA 1.859 59.554 58.100 -0.675 0.000 1.164 242 Y CB -0.293 37.798 38.460 -0.616 0.000 0.982 242 Y HN 0.209 nan 8.280 nan 0.000 0.515 243 L N -0.310 120.683 121.223 -0.382 0.000 2.046 243 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 243 L C 2.437 179.105 176.870 -0.336 0.000 1.077 243 L CA 1.398 56.018 54.840 -0.367 0.000 0.747 243 L CB -0.537 41.410 42.059 -0.188 0.000 0.896 243 L HN 0.290 nan 8.230 nan 0.000 0.432 244 I N -1.116 119.299 120.570 -0.259 0.000 2.226 244 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 244 I C 2.809 178.805 176.117 -0.201 0.000 1.100 244 I CA 1.380 62.584 61.300 -0.159 0.000 1.374 244 I CB -0.267 37.707 38.000 -0.044 0.000 1.057 244 I HN 0.221 nan 8.210 nan 0.000 0.413 245 S N -0.023 115.499 115.700 -0.297 0.000 2.335 245 S HA -0.147 4.322 4.470 -0.000 0.000 0.217 245 S C 1.946 176.327 174.600 -0.364 0.000 1.032 245 S CA 1.196 59.230 58.200 -0.276 0.000 0.985 245 S CB 0.052 63.112 63.200 -0.232 0.000 0.896 245 S HN 0.360 nan 8.310 nan 0.000 0.445 246 Q N 0.168 119.580 119.800 -0.646 0.000 2.391 246 Q HA 0.326 4.666 4.340 -0.000 0.000 0.211 246 Q C 1.220 176.942 176.000 -0.463 0.000 0.908 246 Q CA 0.648 56.069 55.803 -0.638 0.000 0.920 246 Q CB -0.035 27.996 28.738 -1.179 0.000 1.056 246 Q HN 0.624 nan 8.270 nan 0.000 0.523 247 G N -0.052 108.498 108.800 -0.417 0.000 2.829 247 G HA2 0.163 4.123 3.960 -0.000 0.000 0.628 247 G HA3 0.163 4.123 3.960 -0.000 0.000 0.628 247 G C 0.045 174.822 174.900 -0.204 0.000 1.412 247 G CA -0.015 44.937 45.100 -0.246 0.000 0.864 247 G HN 0.742 nan 8.290 nan 0.000 0.544 248 G N -2.152 106.587 108.800 -0.102 0.000 2.368 248 G HA2 0.625 4.584 3.960 -0.000 0.000 0.302 248 G HA3 0.625 4.584 3.960 -0.000 0.000 0.302 248 G C -0.738 174.164 174.900 0.002 0.000 1.329 248 G CA 0.521 45.596 45.100 -0.041 0.000 0.935 248 G HN 1.736 nan 8.290 nan 0.000 0.590 249 T N 0.400 114.974 114.554 0.033 0.000 2.786 249 T HA 0.628 4.977 4.350 -0.000 0.000 0.283 249 T C -1.089 173.679 174.700 0.114 0.000 0.992 249 T CA -0.218 61.916 62.100 0.057 0.000 0.954 249 T CB 1.240 70.123 68.868 0.024 0.000 0.934 249 T HN 0.798 nan 8.240 nan 0.000 0.440 250 H N 1.892 120.969 119.070 0.012 0.000 2.744 250 H HA 0.336 4.891 4.556 -0.000 0.000 0.339 250 H C -0.799 174.599 175.328 0.116 0.000 1.004 250 H CA -0.997 55.057 56.048 0.010 0.000 1.257 250 H CB 0.176 29.981 29.762 0.072 0.000 1.552 250 H HN 0.692 nan 8.280 nan 0.000 0.522 251 Y N 3.122 123.206 120.300 -0.360 0.000 3.225 251 Y HA -0.261 4.289 4.550 -0.000 0.000 0.211 251 Y C 1.649 177.495 175.900 -0.090 0.000 1.223 251 Y CA 1.730 59.684 58.100 -0.244 0.000 1.284 251 Y CB -1.468 36.825 38.460 -0.278 0.000 1.367 251 Y HN 1.101 nan 8.280 nan 0.000 0.566 252 G N -2.173 106.645 108.800 0.030 0.000 2.179 252 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 252 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 252 G C -0.113 174.821 174.900 0.057 0.000 0.977 252 G CA -0.036 45.087 45.100 0.039 0.000 0.641 252 G HN 0.632 nan 8.290 nan 0.000 0.533 253 V N 1.413 121.380 119.914 0.089 0.000 2.398 253 V HA 0.658 4.778 4.120 -0.000 0.000 0.286 253 V C 0.485 176.625 176.094 0.076 0.000 1.026 253 V CA -0.274 62.078 62.300 0.088 0.000 0.868 253 V CB 1.743 33.639 31.823 0.122 0.000 0.982 253 V HN 0.294 nan 8.190 nan 0.000 0.443 254 S N 3.633 119.361 115.700 0.047 0.000 2.508 254 S HA 0.682 5.152 4.470 -0.000 0.000 0.284 254 S C -0.377 174.232 174.600 0.015 0.000 1.192 254 S CA -0.489 57.727 58.200 0.027 0.000 1.070 254 S CB 1.593 64.801 63.200 0.012 0.000 1.004 254 S HN 0.485 nan 8.310 nan 0.000 0.493 255 V N 3.633 123.544 119.914 -0.006 0.000 2.531 255 V HA 0.349 4.469 4.120 -0.000 0.000 0.301 255 V C -0.342 175.718 176.094 -0.056 0.000 1.034 255 V CA -0.825 61.458 62.300 -0.029 0.000 0.865 255 V CB 1.870 33.666 31.823 -0.047 0.000 0.995 255 V HN 0.664 nan 8.190 nan 0.000 0.424 256 V N 4.002 123.884 119.914 -0.053 0.000 2.455 256 V HA 0.441 4.561 4.120 -0.000 0.000 0.273 256 V C 1.171 177.207 176.094 -0.097 0.000 1.045 256 V CA 0.021 62.280 62.300 -0.068 0.000 0.976 256 V CB 1.204 32.996 31.823 -0.052 0.000 0.993 256 V HN 0.998 nan 8.190 nan 0.000 0.475 257 G N 3.986 112.710 108.800 -0.127 0.000 2.441 257 G HA2 0.392 4.352 3.960 -0.000 0.000 0.243 257 G HA3 0.392 4.352 3.960 -0.000 0.000 0.243 257 G C 0.588 175.412 174.900 -0.128 0.000 1.281 257 G CA -0.262 44.741 45.100 -0.161 0.000 0.854 257 G HN 0.994 nan 8.290 nan 0.000 0.560 258 I N -0.382 120.111 120.570 -0.127 0.000 4.154 258 I HA 0.560 4.729 4.170 -0.000 0.000 0.334 258 I C 0.859 176.913 176.117 -0.105 0.000 1.371 258 I CA 0.075 61.303 61.300 -0.119 0.000 1.110 258 I CB -0.035 37.882 38.000 -0.138 0.000 1.085 258 I HN 0.946 nan 8.210 nan 0.000 0.398 259 G N 1.830 110.566 108.800 -0.106 0.000 2.661 259 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.685 259 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.685 259 G C 0.051 174.919 174.900 -0.053 0.000 1.298 259 G CA -0.221 44.829 45.100 -0.084 0.000 0.855 259 G HN 0.249 nan 8.290 nan 0.000 0.560 260 R N -0.415 120.050 120.500 -0.058 0.000 2.093 260 R HA 0.014 4.354 4.340 -0.000 0.000 0.224 260 R C 2.046 178.348 176.300 0.003 0.000 1.101 260 R CA 1.490 57.559 56.100 -0.052 0.000 0.979 260 R CB -0.223 29.950 30.300 -0.211 0.000 0.877 260 R HN 0.578 nan 8.270 nan 0.000 0.441 261 D N 0.862 121.269 120.400 0.011 0.000 2.092 261 D HA -0.151 4.489 4.640 -0.000 0.000 0.193 261 D C 1.673 178.042 176.300 0.115 0.000 0.994 261 D CA 1.465 55.500 54.000 0.060 0.000 0.828 261 D CB 0.003 40.826 40.800 0.038 0.000 0.963 261 D HN 0.145 nan 8.370 nan 0.000 0.450 262 K N -0.049 120.407 120.400 0.093 0.000 2.097 262 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 262 K C 2.056 178.778 176.600 0.203 0.000 1.050 262 K CA 0.214 56.593 56.287 0.154 0.000 0.938 262 K CB -0.148 32.344 32.500 -0.014 0.000 0.718 262 K HN 0.035 nan 8.250 nan 0.000 0.442 263 L N 1.100 122.403 121.223 0.133 0.000 2.013 263 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 263 L C 2.130 179.157 176.870 0.261 0.000 1.073 263 L CA 2.248 57.191 54.840 0.172 0.000 0.753 263 L CB -1.044 41.041 42.059 0.045 0.000 0.890 263 L HN 0.190 nan 8.230 nan 0.000 0.432 264 G N -0.988 107.947 108.800 0.225 0.000 2.422 264 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.218 264 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.218 264 G C 1.697 176.955 174.900 0.598 0.000 1.146 264 G CA 0.933 46.272 45.100 0.397 0.000 0.769 264 G HN 0.444 nan 8.290 nan 0.000 0.547 265 K N -0.268 120.407 120.400 0.459 0.000 2.062 265 K HA 0.114 4.434 4.320 -0.000 0.000 0.205 265 K C 2.441 179.286 176.600 0.409 0.000 1.051 265 K CA 0.687 57.234 56.287 0.434 0.000 0.941 265 K CB -0.178 32.515 32.500 0.321 0.000 0.719 265 K HN 0.313 nan 8.250 nan 0.000 0.440 266 I N -0.017 120.793 120.570 0.400 0.000 2.179 266 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 266 I C 1.911 178.194 176.117 0.276 0.000 1.088 266 I CA 1.353 62.842 61.300 0.314 0.000 1.357 266 I CB -0.180 38.006 38.000 0.309 0.000 1.051 266 I HN 0.032 nan 8.210 nan 0.000 0.409 267 F N -0.432 119.683 119.950 0.274 0.000 2.259 267 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 267 F C 2.421 178.438 175.800 0.361 0.000 1.088 267 F CA 1.369 59.541 58.000 0.287 0.000 1.358 267 F CB -0.647 38.478 39.000 0.209 0.000 1.040 267 F HN 0.028 nan 8.300 nan 0.000 0.505 268 Y N 0.764 121.356 120.300 0.486 0.000 2.181 268 Y HA -0.225 4.325 4.550 -0.000 0.000 0.288 268 Y C 2.713 178.648 175.900 0.059 0.000 1.146 268 Y CA 1.829 60.022 58.100 0.155 0.000 1.164 268 Y CB -0.376 37.995 38.460 -0.147 0.000 0.982 268 Y HN -0.071 nan 8.280 nan 0.000 0.515 269 R N 0.218 120.828 120.500 0.183 0.000 2.073 269 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 269 R C 2.389 178.664 176.300 -0.042 0.000 1.134 269 R CA 1.467 57.592 56.100 0.041 0.000 0.952 269 R CB -0.637 29.740 30.300 0.128 0.000 0.850 269 R HN 0.406 nan 8.270 nan 0.000 0.433 270 A N 0.998 123.842 122.820 0.041 0.000 1.908 270 A HA -0.175 4.144 4.320 -0.000 0.000 0.218 270 A C 2.065 179.634 177.584 -0.025 0.000 1.181 270 A CA 1.442 53.512 52.037 0.055 0.000 0.627 270 A CB -0.645 18.297 19.000 -0.098 0.000 0.818 270 A HN 0.419 nan 8.150 nan 0.000 0.445 271 L N 0.263 121.448 121.223 -0.062 0.000 2.056 271 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 271 L C 2.451 179.185 176.870 -0.226 0.000 1.078 271 L CA 2.732 57.508 54.840 -0.105 0.000 0.749 271 L CB -0.554 41.447 42.059 -0.096 0.000 0.901 271 L HN 0.516 nan 8.230 nan 0.000 0.433 272 T N -4.694 109.630 114.554 -0.383 0.000 3.107 272 T HA 0.086 4.436 4.350 -0.000 0.000 0.249 272 T C 1.501 176.017 174.700 -0.306 0.000 1.096 272 T CA 0.175 62.043 62.100 -0.385 0.000 1.012 272 T CB 0.201 68.714 68.868 -0.592 0.000 0.977 272 T HN 0.363 nan 8.240 nan 0.000 0.527 273 Q N -0.987 118.601 119.800 -0.354 0.000 2.459 273 Q HA 0.247 4.587 4.340 -0.000 0.000 0.260 273 Q C 0.741 176.393 176.000 -0.580 0.000 0.828 273 Q CA 0.509 55.987 55.803 -0.542 0.000 0.987 273 Q CB 0.498 28.743 28.738 -0.822 0.000 1.216 273 Q HN 0.593 nan 8.270 nan 0.000 0.558 274 Y N 0.024 120.272 120.300 -0.086 0.000 2.535 274 Y HA 0.291 4.841 4.550 -0.000 0.000 0.264 274 Y C 1.005 176.863 175.900 -0.070 0.000 1.087 274 Y CA -0.204 57.851 58.100 -0.075 0.000 1.285 274 Y CB 0.700 39.108 38.460 -0.086 0.000 1.200 274 Y HN -0.110 nan 8.280 nan 0.000 0.514 275 L N 1.066 122.323 121.223 0.056 0.000 2.436 275 L HA 0.331 4.671 4.340 -0.000 0.000 0.265 275 L C 0.709 177.580 176.870 0.003 0.000 1.168 275 L CA -0.124 54.732 54.840 0.026 0.000 0.815 275 L CB 0.887 42.953 42.059 0.013 0.000 1.109 275 L HN 0.146 nan 8.230 nan 0.000 0.462 276 T N -1.893 112.665 114.554 0.006 0.000 2.858 276 T HA 0.427 4.777 4.350 -0.000 0.000 0.285 276 T C -2.312 172.385 174.700 -0.005 0.000 1.052 276 T CA -1.734 60.364 62.100 -0.003 0.000 1.009 276 T CB 1.804 70.674 68.868 0.002 0.000 1.241 276 T HN 0.203 nan 8.240 nan 0.000 0.542 277 P HA 0.031 nan 4.420 nan 0.000 0.220 277 P C 1.087 178.385 177.300 -0.003 0.000 1.148 277 P CA 1.178 64.272 63.100 -0.010 0.000 0.803 277 P CB -0.063 31.634 31.700 -0.005 0.000 0.782 278 T N -5.569 108.987 114.554 0.003 0.000 3.248 278 T HA 0.278 4.627 4.350 -0.000 0.000 0.271 278 T C 0.454 175.164 174.700 0.016 0.000 1.005 278 T CA -0.407 61.698 62.100 0.008 0.000 0.902 278 T CB -0.734 68.137 68.868 0.005 0.000 1.102 278 T HN -0.225 nan 8.240 nan 0.000 0.548 279 S N 3.798 119.512 115.700 0.023 0.000 2.558 279 S HA 0.317 4.787 4.470 -0.000 0.000 0.288 279 S C 0.589 175.230 174.600 0.068 0.000 1.318 279 S CA -0.463 57.758 58.200 0.036 0.000 1.056 279 S CB 0.165 63.389 63.200 0.040 0.000 0.853 279 S HN 0.894 nan 8.310 nan 0.000 0.505 280 N N 0.873 119.615 118.700 0.069 0.000 2.906 280 N HA 0.423 5.163 4.740 -0.000 0.000 0.327 280 N C 0.311 175.962 175.510 0.235 0.000 1.344 280 N CA -0.917 52.203 53.050 0.115 0.000 0.823 280 N CB -0.293 38.213 38.487 0.032 0.000 1.351 280 N HN 0.277 nan 8.380 nan 0.000 0.604 281 F N -0.390 119.575 119.950 0.025 0.000 2.134 281 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 281 F C 2.701 178.435 175.800 -0.110 0.000 1.097 281 F CA 1.055 59.056 58.000 0.003 0.000 1.264 281 F CB -1.235 37.779 39.000 0.024 0.000 1.001 281 F HN 0.590 nan 8.300 nan 0.000 0.479 282 S N -0.470 115.259 115.700 0.047 0.000 2.382 282 S HA -0.221 4.249 4.470 -0.000 0.000 0.228 282 S C 1.891 176.421 174.600 -0.117 0.000 1.027 282 S CA 1.414 59.561 58.200 -0.089 0.000 0.991 282 S CB -0.203 62.943 63.200 -0.090 0.000 0.823 282 S HN 0.507 nan 8.310 nan 0.000 0.469 283 Q N -0.106 119.657 119.800 -0.062 0.000 2.311 283 Q HA 0.095 4.435 4.340 -0.000 0.000 0.203 283 Q C 2.037 177.964 176.000 -0.122 0.000 0.954 283 Q CA 0.765 56.515 55.803 -0.088 0.000 0.885 283 Q CB -0.179 28.536 28.738 -0.039 0.000 0.963 283 Q HN 0.487 nan 8.270 nan 0.000 0.471 284 L N 0.989 122.155 121.223 -0.095 0.000 2.046 284 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 284 L C 2.297 178.923 176.870 -0.406 0.000 1.077 284 L CA 1.780 56.531 54.840 -0.147 0.000 0.747 284 L CB -0.331 41.721 42.059 -0.011 0.000 0.896 284 L HN 0.057 nan 8.230 nan 0.000 0.432 285 R N -0.414 119.703 120.500 -0.638 0.000 2.073 285 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 285 R C 2.145 178.103 176.300 -0.570 0.000 1.134 285 R CA 1.467 56.920 56.100 -1.080 0.000 0.952 285 R CB -0.457 29.257 30.300 -0.977 0.000 0.850 285 R HN 0.495 nan 8.270 nan 0.000 0.433 286 A N 0.727 123.326 122.820 -0.368 0.000 1.933 286 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 286 A C 2.344 179.743 177.584 -0.308 0.000 1.175 286 A CA 1.690 53.557 52.037 -0.282 0.000 0.628 286 A CB -0.680 18.191 19.000 -0.215 0.000 0.814 286 A HN 0.567 nan 8.150 nan 0.000 0.444 287 A N -0.247 122.401 122.820 -0.288 0.000 1.898 287 A HA 0.218 4.538 4.320 -0.000 0.000 0.216 287 A C 2.486 179.919 177.584 -0.251 0.000 1.181 287 A CA 1.913 53.788 52.037 -0.270 0.000 0.620 287 A CB -0.929 18.012 19.000 -0.099 0.000 0.819 287 A HN 1.008 nan 8.150 nan 0.000 0.442 288 A N -0.576 122.070 122.820 -0.291 0.000 1.930 288 A HA 0.052 4.371 4.320 -0.000 0.000 0.217 288 A C 2.207 179.705 177.584 -0.144 0.000 1.175 288 A CA 1.654 53.538 52.037 -0.256 0.000 0.627 288 A CB -0.830 18.010 19.000 -0.267 0.000 0.815 288 A HN 0.353 nan 8.150 nan 0.000 0.443 289 V N -0.112 119.692 119.914 -0.183 0.000 2.295 289 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 289 V C 2.745 178.765 176.094 -0.122 0.000 1.049 289 V CA 2.352 64.582 62.300 -0.115 0.000 1.024 289 V CB -0.760 30.983 31.823 -0.134 0.000 0.648 289 V HN 0.707 nan 8.190 nan 0.000 0.447 290 Q N 0.507 120.170 119.800 -0.227 0.000 2.084 290 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 290 Q C 2.294 178.204 176.000 -0.149 0.000 0.978 290 Q CA 2.344 57.977 55.803 -0.283 0.000 0.844 290 Q CB -0.429 27.939 28.738 -0.617 0.000 0.898 290 Q HN 0.632 nan 8.270 nan 0.000 0.426 291 S N 0.060 115.718 115.700 -0.070 0.000 2.355 291 S HA -0.104 4.365 4.470 -0.000 0.000 0.222 291 S C 1.954 176.595 174.600 0.067 0.000 1.031 291 S CA 0.971 59.230 58.200 0.099 0.000 0.993 291 S CB -0.623 62.651 63.200 0.123 0.000 0.859 291 S HN 0.602 nan 8.310 nan 0.000 0.453 292 A N 1.393 124.265 122.820 0.086 0.000 1.933 292 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 292 A C 2.313 179.980 177.584 0.140 0.000 1.175 292 A CA 1.975 54.133 52.037 0.202 0.000 0.628 292 A CB -1.314 17.807 19.000 0.200 0.000 0.814 292 A HN 0.467 nan 8.150 nan 0.000 0.444 293 T N 0.427 115.014 114.554 0.054 0.000 2.684 293 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 293 T C 1.530 176.228 174.700 -0.004 0.000 1.036 293 T CA 1.622 63.737 62.100 0.025 0.000 1.148 293 T CB -0.483 68.376 68.868 -0.016 0.000 0.863 293 T HN 0.486 nan 8.240 nan 0.000 0.436 294 D N 1.070 121.464 120.400 -0.011 0.000 2.133 294 D HA -0.056 4.584 4.640 -0.000 0.000 0.195 294 D C 2.074 178.312 176.300 -0.103 0.000 0.997 294 D CA 0.949 54.937 54.000 -0.020 0.000 0.840 294 D CB -0.367 40.455 40.800 0.036 0.000 0.947 294 D HN 0.330 nan 8.370 nan 0.000 0.452 295 L N -1.304 119.786 121.223 -0.221 0.000 2.127 295 L HA -0.083 4.257 4.340 -0.000 0.000 0.203 295 L C 1.449 177.907 176.870 -0.685 0.000 1.080 295 L CA 0.820 55.331 54.840 -0.548 0.000 0.768 295 L CB -0.062 41.458 42.059 -0.898 0.000 0.924 295 L HN 0.061 nan 8.230 nan 0.000 0.444 296 Y N -0.745 119.575 120.300 0.034 0.000 2.527 296 Y HA 0.502 5.052 4.550 -0.000 0.000 0.247 296 Y C 0.942 176.852 175.900 0.017 0.000 1.138 296 Y CA -0.184 57.931 58.100 0.025 0.000 1.228 296 Y CB 0.540 39.016 38.460 0.027 0.000 1.252 296 Y HN 0.065 nan 8.280 nan 0.000 0.531 297 G N 0.412 109.267 108.800 0.090 0.000 2.788 297 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.686 297 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.686 297 G C 0.591 175.530 174.900 0.064 0.000 1.147 297 G CA -0.227 44.911 45.100 0.064 0.000 0.755 297 G HN 0.370 nan 8.290 nan 0.000 0.634 298 S N -0.793 114.927 115.700 0.034 0.000 2.507 298 S HA 0.011 4.481 4.470 -0.000 0.000 0.235 298 S C 1.872 176.487 174.600 0.025 0.000 0.988 298 S CA 2.045 60.259 58.200 0.023 0.000 0.944 298 S CB -0.102 63.102 63.200 0.005 0.000 0.762 298 S HN 2.159 nan 8.310 nan 0.000 0.526 299 T N -0.003 114.569 114.554 0.030 0.000 3.176 299 T HA 0.348 4.698 4.350 -0.000 0.000 0.263 299 T C 0.533 175.251 174.700 0.031 0.000 1.021 299 T CA -0.072 62.043 62.100 0.024 0.000 0.905 299 T CB -0.237 68.642 68.868 0.018 0.000 1.057 299 T HN 0.447 nan 8.240 nan 0.000 0.558 300 S N 0.686 116.415 115.700 0.049 0.000 2.614 300 S HA 0.231 4.701 4.470 -0.000 0.000 0.265 300 S C 1.274 175.886 174.600 0.019 0.000 1.303 300 S CA -0.525 57.704 58.200 0.048 0.000 1.000 300 S CB 1.440 64.703 63.200 0.106 0.000 0.935 300 S HN 0.222 nan 8.310 nan 0.000 0.551 301 Q N 0.604 120.398 119.800 -0.010 0.000 2.167 301 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 301 Q C 1.548 177.521 176.000 -0.044 0.000 0.970 301 Q CA 1.919 57.704 55.803 -0.029 0.000 0.855 301 Q CB -0.501 28.208 28.738 -0.048 0.000 0.911 301 Q HN 0.861 nan 8.270 nan 0.000 0.438 302 E N -0.885 119.268 120.200 -0.078 0.000 2.077 302 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 302 E C 1.956 178.571 176.600 0.024 0.000 0.989 302 E CA 1.377 57.722 56.400 -0.092 0.000 0.800 302 E CB -0.274 29.256 29.700 -0.282 0.000 0.746 302 E HN 0.177 nan 8.360 nan 0.000 0.452 303 V N 0.975 120.927 119.914 0.063 0.000 2.295 303 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 303 V C 2.212 178.332 176.094 0.044 0.000 1.049 303 V CA 1.849 64.188 62.300 0.065 0.000 1.024 303 V CB -0.827 31.030 31.823 0.057 0.000 0.648 303 V HN 0.369 nan 8.190 nan 0.000 0.447 304 A N -0.558 122.279 122.820 0.027 0.000 1.933 304 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 304 A C 2.471 180.071 177.584 0.027 0.000 1.175 304 A CA 2.287 54.338 52.037 0.022 0.000 0.628 304 A CB -0.640 18.366 19.000 0.010 0.000 0.814 304 A HN 0.515 nan 8.150 nan 0.000 0.444 305 S N -0.538 115.171 115.700 0.015 0.000 2.383 305 S HA -0.093 4.377 4.470 -0.000 0.000 0.227 305 S C 1.861 176.490 174.600 0.048 0.000 1.026 305 S CA 1.235 59.441 58.200 0.009 0.000 0.981 305 S CB -0.359 62.826 63.200 -0.025 0.000 0.818 305 S HN 0.347 nan 8.310 nan 0.000 0.472 306 V N 2.173 122.140 119.914 0.089 0.000 2.343 306 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 306 V C 2.213 178.455 176.094 0.248 0.000 1.051 306 V CA 1.668 64.081 62.300 0.188 0.000 1.036 306 V CB -0.550 31.386 31.823 0.189 0.000 0.654 306 V HN 0.452 nan 8.190 nan 0.000 0.451 307 K N -0.599 119.887 120.400 0.143 0.000 2.057 307 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 307 K C 2.317 178.998 176.600 0.135 0.000 1.050 307 K CA 1.121 57.487 56.287 0.132 0.000 0.935 307 K CB -0.241 32.296 32.500 0.061 0.000 0.715 307 K HN 0.399 nan 8.250 nan 0.000 0.439 308 Q N 0.410 120.264 119.800 0.089 0.000 2.084 308 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 308 Q C 2.275 178.316 176.000 0.069 0.000 0.978 308 Q CA 1.630 57.474 55.803 0.069 0.000 0.844 308 Q CB -0.289 28.472 28.738 0.038 0.000 0.898 308 Q HN 0.345 nan 8.270 nan 0.000 0.426 309 A N 0.170 123.012 122.820 0.037 0.000 1.877 309 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 309 A C 1.903 179.435 177.584 -0.087 0.000 1.186 309 A CA 1.199 53.199 52.037 -0.063 0.000 0.620 309 A CB -0.815 18.085 19.000 -0.166 0.000 0.822 309 A HN 0.268 nan 8.150 nan 0.000 0.443 310 F N 0.556 120.516 119.950 0.017 0.000 2.186 310 F HA -0.123 4.404 4.527 -0.000 0.000 0.299 310 F C 2.054 177.850 175.800 -0.006 0.000 1.090 310 F CA 1.549 59.545 58.000 -0.006 0.000 1.307 310 F CB -0.282 38.702 39.000 -0.026 0.000 1.019 310 F HN 0.197 nan 8.300 nan 0.000 0.489 311 D N 0.063 120.569 120.400 0.178 0.000 2.144 311 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 311 D C 2.349 178.726 176.300 0.128 0.000 0.984 311 D CA 1.381 55.452 54.000 0.119 0.000 0.834 311 D CB -0.568 40.291 40.800 0.099 0.000 0.955 311 D HN 0.230 nan 8.370 nan 0.000 0.465 312 A N 0.528 123.433 122.820 0.142 0.000 1.972 312 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 312 A C 2.134 179.907 177.584 0.314 0.000 1.169 312 A CA 1.655 53.833 52.037 0.234 0.000 0.635 312 A CB -0.405 18.738 19.000 0.238 0.000 0.810 312 A HN 0.252 nan 8.150 nan 0.000 0.446 313 V N -4.081 115.920 119.914 0.146 0.000 3.514 313 V HA 0.562 4.682 4.120 -0.000 0.000 0.301 313 V C 1.135 177.006 176.094 -0.373 0.000 1.346 313 V CA 0.500 62.812 62.300 0.021 0.000 1.156 313 V CB -0.845 30.994 31.823 0.028 0.000 1.029 313 V HN 1.463 nan 8.190 nan 0.000 0.428 314 G N 0.067 108.719 108.800 -0.246 0.000 2.137 314 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.237 314 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.237 314 G C -0.026 174.804 174.900 -0.117 0.000 1.002 314 G CA 0.083 45.027 45.100 -0.261 0.000 0.702 314 G HN 0.879 nan 8.290 nan 0.000 0.515 315 V N 0.480 120.364 119.914 -0.050 0.000 2.333 315 V HA 0.591 4.711 4.120 -0.000 0.000 0.274 315 V C 0.507 176.565 176.094 -0.060 0.000 1.028 315 V CA -0.292 61.947 62.300 -0.102 0.000 0.851 315 V CB 1.394 33.287 31.823 0.116 0.000 1.000 315 V HN 0.333 nan 8.190 nan 0.000 0.456 316 K N 0.000 120.318 120.400 -0.136 0.000 2.780 316 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 316 K CA 0.000 56.235 56.287 -0.087 0.000 0.838 316 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 316 K HN 0.000 nan 8.250 nan 0.000 0.543