============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TRP 3 1.040 46.598 -38.136 46.988 -99.200 -91.000 TRP6 3 1.020 47.419 -40.176 46.269 -99.200 -91.000 TYR 4 0.840 42.225 -35.934 40.892 -99.200 -91.000 TRP 6 1.040 47.275 -37.497 38.323 -99.200 -91.000 TRP6 6 1.020 45.130 -38.215 37.743 -99.200 -91.000 PHE 11 1.000 53.048 -38.063 49.784 -99.200 -91.000 TYR 18 0.840 59.044 -31.115 52.070 -99.200 -91.000 HIS 24 0.900 63.639 -24.292 48.225 -99.200 -91.000 HIS 25 0.900 63.175 -21.496 51.993 -99.200 -91.000 TYR 42 0.840 44.743 -31.798 54.055 -99.200 -91.000 TYR 47 0.840 56.592 -36.334 56.677 -99.200 -91.000 HIS 56 0.900 57.002 -42.150 52.012 -99.200 -91.000 HIS 61 0.900 45.115 -43.037 65.322 -99.200 -91.000 HIS 73 0.900 48.588 -27.566 63.875 -99.200 -91.000 TYR 76 0.840 46.789 -26.070 56.500 -99.200 -91.000 TYR 77 0.840 49.913 -19.505 60.262 -99.200 -91.000 HIS 103 0.900 59.240 -18.302 70.284 -99.200 -91.000 TRP 113 1.040 47.679 -24.751 49.610 -99.200 -91.000 TRP6 113 1.020 45.426 -25.415 49.769 -99.200 -91.000 TRP 140 1.040 58.760 -27.204 56.929 -99.200 -91.000 TRP6 140 1.020 60.928 -27.321 56.009 -99.200 -91.000 PHE 141 1.000 56.103 -19.300 53.311 -99.200 -91.000 PHE 142 1.000 54.416 -27.606 50.991 -99.200 -91.000 HIS 162 0.900 57.407 -32.152 41.726 -99.200 -91.000 TYR 163 0.840 55.130 -30.085 34.169 -99.200 -91.000 TYR 171 0.840 46.690 -43.862 34.526 -99.200 -91.000 TRP 175 1.040 40.804 -40.668 36.506 -99.200 -91.000 TRP6 175 1.020 40.785 -42.008 38.437 -99.200 -91.000 PHE 205 1.000 32.870 -35.630 30.064 -99.200 -91.000 TRP 210 1.040 29.739 -32.759 26.960 -99.200 -91.000 TRP6 210 1.020 32.009 -32.692 26.396 -99.200 -91.000 TYR 222 0.840 21.630 -18.800 12.579 -99.200 -91.000 TRP 229 1.040 30.452 -15.470 13.034 -99.200 -91.000 TRP6 229 1.020 32.113 -16.810 13.974 -99.200 -91.000 TYR 230 0.840 24.093 -8.850 18.808 -99.200 -91.000 HIS 238 0.900 27.447 -18.796 32.614 -99.200 -91.000 HIS 246 0.900 40.653 -23.367 25.896 -99.200 -91.000 TRP 247 1.040 34.708 -25.016 26.480 -99.200 -91.000 TRP6 247 1.020 32.549 -24.967 27.406 -99.200 -91.000 HIS 259 0.900 40.988 -24.136 5.274 -99.200 -91.000 HIS 260 0.900 48.002 -24.916 7.707 -99.200 -91.000 HIS 280 0.900 29.954 -22.809 4.810 -99.200 -91.000 HIS 295 0.900 43.854 -8.498 22.788 -99.200 -91.000 HIS 321 0.900 34.471 -3.967 9.459 -99.200 -91.000 TYR 322 0.840 38.375 -9.065 12.593 -99.200 -91.000 HIS 333 0.900 50.172 -4.644 16.898 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3glgE1 MET 1 HA 0.03 -0.15 0.18 -0.75 4.52 3.82 3glgE1 MET 1 HB2 0.02 -0.03 -0.01 -0.04 2.15 2.09 3glgE1 MET 1 HB3 -0.10 0.04 0.04 -0.04 2.03 1.97 3glgE1 MET 1 HG2 -0.08 0.06 -0.45 -0.04 2.63 2.12 3glgE1 MET 1 HG3 -0.01 -0.15 -0.24 -0.04 2.56 2.12 3glgE1 MET 1 HE3 -0.58 0.01 -0.05 -0.04 2.10 1.44 3glgE1 ARG 2 H -0.06 0.01 0.05 -0.55 8.46 7.90 3glgE1 ARG 2 HA -0.11 0.25 0.71 -0.75 4.34 4.44 3glgE1 ARG 2 HB2 -0.08 0.06 -0.02 -0.04 1.90 1.83 3glgE1 ARG 2 HB3 -0.19 -0.07 0.03 -0.04 1.80 1.53 3glgE1 ARG 2 HG2 -1.16 -0.08 -0.53 -0.04 1.67 -0.14 3glgE1 ARG 2 HG3 -0.22 -0.00 0.03 -0.04 1.67 1.43 3glgE1 ARG 2 HD2 0.09 0.01 -0.05 -0.04 3.22 3.22 3glgE1 ARG 2 HD3 0.22 -0.07 -0.13 -0.04 3.22 3.20 3glgE1 TRP 3 H -0.12 0.24 0.13 -0.55 7.97 7.68 3glgE1 TRP 3 HA -0.42 0.10 0.86 -0.75 4.62 4.41 3glgE1 TRP 3 HB2 -0.25 0.05 -0.03 -0.04 3.23 2.96 3glgE1 TRP 3 HB3 -0.26 0.00 0.05 -0.04 3.23 2.98 3glgE1 TRP 3 HD1 -0.24 0.01 -0.17 -0.04 7.22 6.77 3glgE1 TRP 3 HE1 -0.41 0.03 -0.12 -0.04 10.20 9.66 3glgE1 TRP 3 HE3 -0.24 -0.03 -0.33 -0.04 7.59 6.95 3glgE1 TRP 3 HZ2 -0.34 0.01 -0.17 -0.04 7.44 6.90 3glgE1 TRP 3 HZ3 -0.17 -0.02 -0.11 -0.04 7.13 6.78 3glgE1 TRP 3 HH2 -0.15 -0.04 -0.01 -0.04 7.19 6.96 3glgE1 TYR 4 H -1.02 0.18 0.10 -0.55 8.29 7.00 3glgE1 TYR 4 HA -0.86 0.26 0.82 -0.75 4.56 4.03 3glgE1 TYR 4 HB2 -2.19 0.02 0.01 -0.04 3.06 0.86 3glgE1 TYR 4 HB3 -3.35 0.00 0.05 -0.04 2.98 -0.35 3glgE1 TYR 4 HD2 -0.28 0.06 -0.17 -0.04 7.15 6.72 3glgE1 TYR 4 HE2 0.18 -0.09 -0.18 -0.04 6.85 6.72 3glgE1 PRO 5 HA -0.29 0.09 0.33 -0.51 4.44 4.06 3glgE1 PRO 5 HB2 -0.04 0.04 0.03 -0.04 2.28 2.26 3glgE1 PRO 5 HB3 -0.02 0.06 0.11 -0.04 2.02 2.13 3glgE1 PRO 5 HG2 -0.55 0.07 0.09 -0.04 2.03 1.60 3glgE1 PRO 5 HG3 -0.21 0.10 0.11 -0.04 2.03 1.99 3glgE1 PRO 5 HD2 -1.62 0.09 0.18 -0.04 3.68 2.29 3glgE1 PRO 5 HD3 -0.95 0.21 0.28 -0.04 3.65 3.14 3glgE1 TRP 6 H -1.18 0.13 -0.33 -0.55 7.97 6.04 3glgE1 TRP 6 HA -0.19 0.11 0.33 -0.75 4.62 4.11 3glgE1 TRP 6 HB2 -0.18 0.09 0.16 -0.04 3.23 3.27 3glgE1 TRP 6 HB3 -0.15 -0.03 0.09 -0.04 3.23 3.09 3glgE1 TRP 6 HD1 -0.18 0.04 -0.22 -0.04 7.22 6.82 3glgE1 TRP 6 HE1 -0.19 0.33 0.05 -0.04 10.20 10.34 3glgE1 TRP 6 HE3 -0.17 -0.02 0.02 -0.04 7.59 7.38 3glgE1 TRP 6 HZ2 -1.01 0.12 -0.05 -0.04 7.44 6.46 3glgE1 TRP 6 HZ3 -1.54 -0.00 0.02 -0.04 7.13 5.56 3glgE1 TRP 6 HH2 -0.84 -0.05 -0.08 -0.04 7.19 6.18 3glgE1 LEU 7 H -0.85 0.29 -0.57 -0.55 8.37 6.69 3glgE1 LEU 7 HA -0.17 0.12 0.67 -0.75 4.35 4.22 3glgE1 LEU 7 HB2 -1.75 0.14 0.07 -0.04 1.64 0.06 3glgE1 LEU 7 HB3 -0.51 -0.06 0.03 -0.04 1.64 1.06 3glgE1 LEU 7 HG -1.06 -0.05 -0.02 -0.04 1.64 0.47 3glgE1 LEU 7 HD13 -0.90 -0.03 0.09 -0.04 0.93 0.05 3glgE1 LEU 7 HD23 -0.08 0.06 -0.07 -0.04 0.89 0.76 3glgE1 ARG 8 H -0.31 0.32 -0.02 -0.55 8.46 7.90 3glgE1 ARG 8 HA 0.39 0.01 0.28 -0.75 4.34 4.27 3glgE1 ARG 8 HB2 0.08 0.21 0.21 -0.04 1.90 2.35 3glgE1 ARG 8 HB3 0.12 -0.00 0.00 -0.04 1.80 1.88 3glgE1 ARG 8 HG2 0.26 -0.02 0.04 -0.04 1.67 1.91 3glgE1 ARG 8 HG3 0.79 -0.02 0.06 -0.04 1.67 2.46 3glgE1 ARG 8 HD2 0.12 0.01 0.04 -0.04 3.22 3.35 3glgE1 ARG 8 HD3 0.13 -0.01 0.01 -0.04 3.22 3.31 3glgE1 PRO 9 HA 0.04 0.09 0.28 -0.51 4.44 4.34 3glgE1 PRO 9 HB2 0.01 0.06 -0.08 -0.04 2.28 2.23 3glgE1 PRO 9 HB3 0.01 0.02 0.02 -0.04 2.02 2.03 3glgE1 PRO 9 HG2 -0.00 0.10 -0.01 -0.04 2.03 2.07 3glgE1 PRO 9 HG3 0.00 0.02 0.00 -0.04 2.03 2.01 3glgE1 PRO 9 HD2 0.00 0.18 -0.36 -0.04 3.68 3.46 3glgE1 PRO 9 HD3 -0.02 0.09 -0.18 -0.04 3.65 3.50 3glgE1 ASP 10 H 0.04 0.25 -0.14 -0.55 8.40 8.00 3glgE1 ASP 10 HA 0.09 0.06 0.51 -0.75 4.63 4.53 3glgE1 ASP 10 HB2 0.06 0.03 0.19 -0.04 2.71 2.95 3glgE1 ASP 10 HB3 0.14 -0.02 0.03 -0.04 2.70 2.81 3glgE1 PHE 11 H 0.16 0.69 -0.03 -0.55 8.34 8.60 3glgE1 PHE 11 HA -0.07 0.02 0.44 -0.75 4.62 4.26 3glgE1 PHE 11 HB2 0.08 -0.04 0.02 -0.04 3.15 3.17 3glgE1 PHE 11 HB3 0.08 0.11 0.03 -0.04 3.06 3.24 3glgE1 PHE 11 HD2 -0.06 0.04 -0.06 -0.04 7.28 7.16 3glgE1 PHE 11 HE2 -0.17 0.01 -0.25 -0.04 7.38 6.93 3glgE1 PHE 11 HZ -0.14 0.15 -0.12 -0.04 7.32 7.17 3glgE1 GLU 12 H 0.06 0.67 -0.04 -0.55 8.60 8.74 3glgE1 GLU 12 HA -0.60 -0.03 0.36 -0.75 4.29 3.27 3glgE1 GLU 12 HB2 -0.03 0.06 0.15 -0.04 2.09 2.23 3glgE1 GLU 12 HB3 -0.10 -0.04 0.04 -0.04 1.99 1.85 3glgE1 GLU 12 HG2 -0.23 -0.06 0.05 -0.04 2.34 2.05 3glgE1 GLU 12 HG3 0.09 0.12 0.10 -0.04 2.34 2.61 3glgE1 LYS 13 H -0.09 0.45 -0.39 -0.55 8.42 7.83 3glgE1 LYS 13 HA -0.08 0.04 0.66 -0.75 4.32 4.19 3glgE1 LYS 13 HB2 -0.00 0.15 0.18 -0.04 1.87 2.16 3glgE1 LYS 13 HB3 -0.01 -0.06 0.01 -0.04 1.79 1.70 3glgE1 LYS 13 HG2 -0.01 0.10 0.05 -0.04 1.46 1.56 3glgE1 LYS 13 HG3 0.02 -0.05 0.03 -0.04 1.46 1.42 3glgE1 LYS 13 HD2 -0.02 -0.00 0.02 -0.04 1.69 1.64 3glgE1 LYS 13 HD3 -0.00 -0.04 0.00 -0.04 1.68 1.60 3glgE1 LYS 13 HE2 0.01 -0.01 0.02 -0.04 2.99 2.97 3glgE1 LYS 13 HE3 -0.01 0.01 0.06 -0.04 2.99 3.01 3glgE1 LEU 14 H -0.19 0.45 -0.02 -0.55 8.37 8.07 3glgE1 LEU 14 HA -0.14 0.07 0.54 -0.75 4.35 4.06 3glgE1 LEU 14 HB2 -0.16 0.08 0.16 -0.04 1.64 1.68 3glgE1 LEU 14 HB3 -0.01 -0.03 -0.02 -0.04 1.64 1.54 3glgE1 LEU 14 HG -0.39 0.16 0.02 -0.04 1.64 1.39 3glgE1 LEU 14 HD13 -0.31 -0.03 -0.11 -0.04 0.93 0.44 3glgE1 LEU 14 HD23 -0.17 -0.01 -0.04 -0.04 0.89 0.63 3glgE1 VAL 15 H -0.44 0.67 0.00 -0.55 8.24 7.92 3glgE1 VAL 15 HA -0.14 0.06 0.37 -0.75 4.13 3.67 3glgE1 VAL 15 HB -0.79 0.03 0.08 -0.04 2.12 1.39 3glgE1 VAL 15 HG13 -0.41 -0.01 -0.21 -0.04 0.97 0.29 3glgE1 VAL 15 HG23 -1.06 0.01 -0.02 -0.04 0.95 -0.17 3glgE1 ALA 16 H -0.22 0.30 -0.29 -0.55 8.40 7.65 3glgE1 ALA 16 HA -0.06 -0.01 0.27 -0.75 4.34 3.79 3glgE1 ALA 16 HB3 -0.07 0.08 0.07 -0.04 1.41 1.45 3glgE1 SER 17 H -0.13 0.31 -0.22 -0.55 8.46 7.87 3glgE1 SER 17 HA -0.08 -0.00 0.40 -0.75 4.49 4.05 3glgE1 SER 17 HB2 -0.26 -0.01 -0.20 -0.04 3.95 3.44 3glgE1 SER 17 HB3 -0.11 -0.01 0.02 -0.04 3.93 3.79 3glgE1 TYR 18 H -0.24 0.41 -0.17 -0.55 8.29 7.74 3glgE1 TYR 18 HA -0.19 -0.13 0.51 -0.75 4.56 4.00 3glgE1 TYR 18 HB2 -0.24 0.18 0.22 -0.04 3.06 3.18 3glgE1 TYR 18 HB3 -0.13 -0.00 -0.02 -0.04 2.98 2.80 3glgE1 TYR 18 HD2 -0.47 0.00 -0.04 -0.04 7.15 6.60 3glgE1 TYR 18 HE2 -0.14 0.01 -0.13 -0.04 6.85 6.55 3glgE1 GLN 19 H -0.03 0.61 -0.09 -0.55 8.47 8.42 3glgE1 GLN 19 HA 0.17 0.04 0.30 -0.75 4.36 4.11 3glgE1 GLN 19 HB2 -0.04 0.04 0.03 -0.04 2.15 2.13 3glgE1 GLN 19 HB3 0.01 -0.05 -0.12 -0.04 2.02 1.82 3glgE1 GLN 19 HG2 0.10 0.03 -0.04 -0.04 2.40 2.45 3glgE1 GLN 19 HG3 -0.17 0.02 -0.11 -0.04 2.39 2.08 3glgE1 GLN 19 HE21 -0.26 -0.13 -0.17 -0.04 6.97 6.36 3glgE1 GLN 19 HE22 -0.01 0.14 -0.28 -0.04 7.69 7.50 3glgE1 ALA 20 H -0.00 0.46 -0.31 -0.55 8.40 8.00 3glgE1 ALA 20 HA 0.03 0.08 0.69 -0.75 4.34 4.39 3glgE1 ALA 20 HB3 0.00 -0.02 0.09 -0.04 1.41 1.45 3glgE1 GLY 21 H 0.05 0.71 -0.30 -0.55 8.43 8.35 3glgE1 GLY 21 HA2 0.11 0.05 0.38 -0.51 4.01 4.05 3glgE1 GLY 21 HA3 0.10 0.05 0.62 -0.51 4.01 4.27 3glgE1 ARG 22 H 0.02 0.28 -0.18 -0.55 8.46 8.03 3glgE1 ARG 22 HA 0.09 0.19 0.75 -0.75 4.34 4.61 3glgE1 ARG 22 HB2 -0.00 -0.05 0.04 -0.04 1.90 1.85 3glgE1 ARG 22 HB3 0.03 -0.04 0.11 -0.04 1.80 1.86 3glgE1 ARG 22 HG2 0.05 0.08 -0.28 -0.04 1.67 1.47 3glgE1 ARG 22 HG3 0.02 0.00 -0.20 -0.04 1.67 1.45 3glgE1 ARG 22 HD2 0.02 0.00 -0.02 -0.04 3.22 3.19 3glgE1 ARG 22 HD3 0.01 -0.06 -0.01 -0.04 3.22 3.13 3glgE1 GLY 23 H -0.04 0.07 -0.33 -0.55 8.43 7.58 3glgE1 GLY 23 HA2 -0.40 -0.05 0.26 -0.51 4.01 3.30 3glgE1 GLY 23 HA3 -0.54 0.02 0.12 -0.51 4.01 3.10 3glgE1 HIS 24 H -0.06 0.05 0.12 -0.55 8.41 7.98 3glgE1 HIS 24 HA 0.21 0.19 0.73 -0.75 4.63 5.01 3glgE1 HIS 24 HB2 0.00 0.04 0.07 -0.04 3.26 3.34 3glgE1 HIS 24 HB3 -0.01 -0.06 0.08 -0.04 3.20 3.17 3glgE1 HIS 24 HD2 0.01 -0.02 -0.00 -0.04 6.97 6.91 3glgE1 HIS 24 HE1 -0.34 0.40 0.12 -0.04 7.75 7.88 3glgE1 HIS 25 H 0.05 0.22 0.17 -0.55 8.41 8.30 3glgE1 HIS 25 HA 0.68 0.06 0.12 -0.75 4.63 4.74 3glgE1 HIS 25 HB2 -0.02 0.10 0.23 -0.04 3.26 3.53 3glgE1 HIS 25 HB3 -0.06 -0.00 0.17 -0.04 3.20 3.26 3glgE1 HIS 25 HD2 0.15 -0.07 -0.12 -0.04 6.97 6.88 3glgE1 HIS 25 HE1 -0.14 -0.05 0.11 -0.04 7.75 7.61 3glgE1 ALA 26 H 0.47 -0.00 -0.73 -0.55 8.40 7.59 3glgE1 ALA 26 HA 0.15 0.11 0.89 -0.75 4.34 4.74 3glgE1 ALA 26 HB3 -0.06 0.06 -0.02 -0.04 1.41 1.34 3glgE1 LEU 27 H 0.00 0.68 0.19 -0.55 8.37 8.69 3glgE1 LEU 27 HA -0.04 0.11 0.72 -0.75 4.35 4.38 3glgE1 LEU 27 HB2 0.11 0.04 0.07 -0.04 1.64 1.83 3glgE1 LEU 27 HB3 0.17 0.04 0.23 -0.04 1.64 2.03 3glgE1 LEU 27 HG 0.21 -0.05 -0.30 -0.04 1.64 1.47 3glgE1 LEU 27 HD13 0.07 0.01 -0.12 -0.04 0.93 0.85 3glgE1 LEU 27 HD23 0.40 -0.02 -0.07 -0.04 0.89 1.17 3glgE1 LEU 28 H 0.03 0.88 0.35 -0.55 8.37 9.08 3glgE1 LEU 28 HA 0.15 0.13 0.90 -0.75 4.35 4.77 3glgE1 LEU 28 HB2 0.05 -0.00 -0.08 -0.04 1.64 1.57 3glgE1 LEU 28 HB3 0.03 0.08 0.04 -0.04 1.64 1.75 3glgE1 LEU 28 HG 0.07 -0.05 -0.39 -0.04 1.64 1.23 3glgE1 LEU 28 HD13 0.09 0.02 -0.33 -0.04 0.93 0.68 3glgE1 LEU 28 HD23 0.02 -0.01 -0.16 -0.04 0.89 0.70 3glgE1 ILE 29 H 0.21 0.77 0.32 -0.55 8.25 9.00 3glgE1 ILE 29 HA 0.22 0.21 0.91 -0.75 4.18 4.76 3glgE1 ILE 29 HB 0.22 0.03 0.17 -0.04 1.89 2.26 3glgE1 ILE 29 HG12 0.21 0.01 -0.05 -0.04 1.49 1.62 3glgE1 ILE 29 HG13 0.25 0.01 -0.15 -0.04 1.21 1.28 3glgE1 ILE 29 HG23 0.21 -0.03 -0.23 -0.04 0.93 0.84 3glgE1 ILE 29 HD13 0.14 -0.01 -0.09 -0.04 0.88 0.88 3glgE1 GLN 30 H 0.19 0.68 0.39 -0.55 8.47 9.19 3glgE1 GLN 30 HA 0.13 0.17 1.16 -0.75 4.36 5.07 3glgE1 GLN 30 HB2 0.06 0.12 -0.06 -0.04 2.15 2.23 3glgE1 GLN 30 HB3 0.06 -0.05 -0.10 -0.04 2.02 1.89 3glgE1 GLN 30 HG2 0.05 0.01 -0.01 -0.04 2.40 2.41 3glgE1 GLN 30 HG3 0.20 -0.10 0.11 -0.04 2.39 2.56 3glgE1 GLN 30 HE21 -0.19 -0.04 -0.00 -0.04 6.97 6.69 3glgE1 GLN 30 HE22 -0.07 0.07 -0.09 -0.04 7.69 7.56 3glgE1 ALA 31 H 0.13 0.71 0.34 -0.55 8.40 9.03 3glgE1 ALA 31 HA 0.18 0.17 0.87 -0.75 4.34 4.80 3glgE1 ALA 31 HB3 0.14 -0.03 -0.06 -0.04 1.41 1.43 3glgE1 LEU 32 H 0.10 0.18 0.17 -0.55 8.37 8.27 3glgE1 LEU 32 HA 0.06 0.07 0.66 -0.75 4.35 4.39 3glgE1 LEU 32 HB2 0.03 -0.04 0.12 -0.04 1.64 1.71 3glgE1 LEU 32 HB3 0.04 0.12 0.15 -0.04 1.64 1.90 3glgE1 LEU 32 HG 0.07 -0.03 0.11 -0.04 1.64 1.74 3glgE1 LEU 32 HD13 0.02 0.02 0.06 -0.04 0.93 0.99 3glgE1 LEU 32 HD23 0.03 -0.00 0.08 -0.04 0.89 0.95 3glgE1 PRO 33 HA 0.10 0.01 0.60 -0.51 4.44 4.63 3glgE1 PRO 33 HB2 0.07 0.03 -0.00 -0.04 2.28 2.34 3glgE1 PRO 33 HB3 0.06 0.04 0.13 -0.04 2.02 2.21 3glgE1 PRO 33 HG2 0.05 0.05 0.08 -0.04 2.03 2.17 3glgE1 PRO 33 HG3 0.03 0.07 0.08 -0.04 2.03 2.16 3glgE1 PRO 33 HD2 0.04 0.12 0.26 -0.04 3.68 4.06 3glgE1 PRO 33 HD3 0.04 0.11 0.18 -0.04 3.65 3.94 3glgE1 GLY 34 H 0.13 0.11 0.14 -0.55 8.43 8.27 3glgE1 GLY 34 HA2 0.18 0.01 0.29 -0.51 4.01 3.98 3glgE1 GLY 34 HA3 0.10 0.08 0.30 -0.51 4.01 3.98 3glgE1 MET 35 H 0.12 0.31 -0.50 -0.55 8.47 7.86 3glgE1 MET 35 HA 0.11 0.20 0.65 -0.75 4.52 4.73 3glgE1 MET 35 HB2 0.11 0.16 0.02 -0.04 2.15 2.39 3glgE1 MET 35 HB3 0.14 0.00 -0.01 -0.04 2.03 2.13 3glgE1 MET 35 HG2 -0.01 0.01 -0.05 -0.04 2.63 2.54 3glgE1 MET 35 HG3 -0.00 0.05 0.07 -0.04 2.56 2.64 3glgE1 MET 35 HE3 -0.19 0.03 -0.25 -0.04 2.10 1.65 3glgE1 GLY 36 H 0.24 -0.06 -0.28 -0.55 8.43 7.79 3glgE1 GLY 36 HA2 0.25 0.01 0.23 -0.51 4.01 3.99 3glgE1 GLY 36 HA3 0.28 0.18 0.47 -0.51 4.01 4.43 3glgE1 ASP 37 H 0.16 0.13 -0.04 -0.55 8.40 8.10 3glgE1 ASP 37 HA 0.09 0.15 0.43 -0.75 4.63 4.55 3glgE1 ASP 37 HB2 0.17 0.09 -0.03 -0.04 2.71 2.89 3glgE1 ASP 37 HB3 0.15 0.07 -0.03 -0.04 2.70 2.86 3glgE1 ASP 38 H 0.17 0.03 -0.18 -0.55 8.40 7.86 3glgE1 ASP 38 HA 0.08 0.14 0.33 -0.75 4.63 4.43 3glgE1 ASP 38 HB2 0.28 0.09 0.01 -0.04 2.71 3.05 3glgE1 ASP 38 HB3 0.39 0.01 0.05 -0.04 2.70 3.11 3glgE1 ALA 39 H 0.01 0.15 -0.50 -0.55 8.40 7.51 3glgE1 ALA 39 HA -0.01 0.12 0.47 -0.75 4.34 4.17 3glgE1 ALA 39 HB3 0.05 0.04 -0.07 -0.04 1.41 1.39 3glgE1 LEU 40 H -0.02 0.33 -0.10 -0.55 8.37 8.03 3glgE1 LEU 40 HA 0.07 0.03 0.43 -0.75 4.35 4.12 3glgE1 LEU 40 HB2 -0.03 0.01 0.09 -0.04 1.64 1.66 3glgE1 LEU 40 HB3 0.01 0.06 0.15 -0.04 1.64 1.82 3glgE1 LEU 40 HG 0.04 0.03 -0.30 -0.04 1.64 1.37 3glgE1 LEU 40 HD13 0.12 -0.01 -0.04 -0.04 0.93 0.96 3glgE1 LEU 40 HD23 0.01 0.01 -0.13 -0.04 0.89 0.74 3glgE1 ILE 41 H -0.12 0.49 -0.32 -0.55 8.25 7.75 3glgE1 ILE 41 HA -0.45 0.06 0.29 -0.75 4.18 3.34 3glgE1 ILE 41 HB -0.51 0.04 0.03 -0.04 1.89 1.41 3glgE1 ILE 41 HG12 -0.16 -0.00 -0.08 -0.04 1.49 1.21 3glgE1 ILE 41 HG13 -0.02 0.14 -0.03 -0.04 1.21 1.26 3glgE1 ILE 41 HG23 -0.73 0.00 -0.21 -0.04 0.93 -0.05 3glgE1 ILE 41 HD13 0.28 -0.00 -0.19 -0.04 0.88 0.93 3glgE1 TYR 42 H -0.23 0.39 -0.23 -0.55 8.29 7.67 3glgE1 TYR 42 HA -0.33 0.00 0.26 -0.75 4.56 3.74 3glgE1 TYR 42 HB2 -0.32 0.17 0.18 -0.04 3.06 3.05 3glgE1 TYR 42 HB3 -0.19 0.01 0.11 -0.04 2.98 2.86 3glgE1 TYR 42 HD2 -0.21 -0.01 -0.06 -0.04 7.15 6.82 3glgE1 TYR 42 HE2 -0.21 0.02 -0.07 -0.04 6.85 6.55 3glgE1 ALA 43 H -0.04 0.50 -0.23 -0.55 8.40 8.08 3glgE1 ALA 43 HA -0.23 -0.06 0.34 -0.75 4.34 3.64 3glgE1 ALA 43 HB3 -0.33 0.05 0.02 -0.04 1.41 1.10 3glgE1 LEU 44 H -0.14 0.41 -0.31 -0.55 8.37 7.79 3glgE1 LEU 44 HA 0.01 0.00 0.44 -0.75 4.35 4.05 3glgE1 LEU 44 HB2 -0.56 0.06 0.14 -0.04 1.64 1.24 3glgE1 LEU 44 HB3 -0.33 -0.02 -0.07 -0.04 1.64 1.18 3glgE1 LEU 44 HG 0.16 0.01 -0.02 -0.04 1.64 1.76 3glgE1 LEU 44 HD13 0.02 -0.02 -0.14 -0.04 0.93 0.75 3glgE1 LEU 44 HD23 -0.03 -0.01 -0.11 -0.04 0.89 0.70 3glgE1 SER 45 H -0.37 0.78 -0.01 -0.55 8.46 8.31 3glgE1 SER 45 HA -0.07 0.02 0.38 -0.75 4.49 4.07 3glgE1 SER 45 HB2 -0.37 0.05 0.12 -0.04 3.95 3.71 3glgE1 SER 45 HB3 -0.04 -0.05 -0.06 -0.04 3.93 3.74 3glgE1 ARG 46 H -0.44 0.79 -0.02 -0.55 8.46 8.23 3glgE1 ARG 46 HA -0.35 -0.05 0.15 -0.75 4.34 3.33 3glgE1 ARG 46 HB2 -0.32 0.13 0.02 -0.04 1.90 1.69 3glgE1 ARG 46 HB3 -0.26 -0.12 -0.07 -0.04 1.80 1.31 3glgE1 ARG 46 HG2 -1.19 0.05 -0.06 -0.04 1.67 0.43 3glgE1 ARG 46 HG3 -0.66 -0.03 -0.12 -0.04 1.67 0.83 3glgE1 ARG 46 HD2 -0.45 -0.03 -0.09 -0.04 3.22 2.62 3glgE1 ARG 46 HD3 -0.54 0.04 -0.13 -0.04 3.22 2.56 3glgE1 TYR 47 H -0.02 0.40 -0.56 -0.55 8.29 7.56 3glgE1 TYR 47 HA -0.10 -0.07 0.30 -0.75 4.56 3.94 3glgE1 TYR 47 HB2 -0.00 0.06 0.06 -0.04 3.06 3.14 3glgE1 TYR 47 HB3 -0.10 0.11 0.14 -0.04 2.98 3.09 3glgE1 TYR 47 HD2 -0.11 0.08 -0.19 -0.04 7.15 6.89 3glgE1 TYR 47 HE2 -0.07 0.12 -0.11 -0.04 6.85 6.75 3glgE1 LEU 48 H -0.05 0.52 -0.04 -0.55 8.37 8.26 3glgE1 LEU 48 HA -0.32 0.05 0.45 -0.75 4.35 3.78 3glgE1 LEU 48 HB2 -0.08 0.14 0.15 -0.04 1.64 1.80 3glgE1 LEU 48 HB3 -0.03 -0.06 -0.08 -0.04 1.64 1.41 3glgE1 LEU 48 HG -0.29 0.04 0.02 -0.04 1.64 1.36 3glgE1 LEU 48 HD13 -0.54 -0.02 -0.12 -0.04 0.93 0.20 3glgE1 LEU 48 HD23 -0.52 -0.01 -0.03 -0.04 0.89 0.29 3glgE1 LEU 49 H -0.17 0.38 -0.43 -0.55 8.37 7.60 3glgE1 LEU 49 HA -0.08 0.10 0.52 -0.75 4.35 4.14 3glgE1 LEU 49 HB2 -0.23 0.05 -0.11 -0.04 1.64 1.30 3glgE1 LEU 49 HB3 -0.24 -0.16 -0.06 -0.04 1.64 1.15 3glgE1 LEU 49 HG -0.14 0.08 -0.19 -0.04 1.64 1.35 3glgE1 LEU 49 HD13 -0.59 -0.03 -0.16 -0.04 0.93 0.11 3glgE1 LEU 49 HD23 -0.11 0.00 -0.19 -0.04 0.89 0.56 3glgE1 CYS 50 H -0.20 0.43 -0.26 -0.55 8.50 7.92 3glgE1 CYS 50 HA -0.08 -0.14 0.68 -0.75 4.58 4.29 3glgE1 CYS 50 HB2 -0.12 -0.10 0.06 -0.04 2.97 2.77 3glgE1 CYS 50 HB3 -0.17 0.30 0.17 -0.04 2.97 3.24 3glgE1 GLN 51 H -0.05 -0.10 0.19 -0.55 8.47 7.97 3glgE1 GLN 51 HA -0.05 0.27 0.43 -0.75 4.36 4.26 3glgE1 GLN 51 HB2 -0.02 -0.17 0.10 -0.04 2.15 2.02 3glgE1 GLN 51 HB3 -0.01 0.07 0.14 -0.04 2.02 2.18 3glgE1 GLN 51 HG2 0.00 0.16 0.04 -0.04 2.40 2.56 3glgE1 GLN 51 HG3 -0.00 0.10 0.06 -0.04 2.39 2.51 3glgE1 GLN 51 HE21 -0.01 -0.07 0.08 -0.04 6.97 6.92 3glgE1 GLN 51 HE22 0.02 0.24 0.04 -0.04 7.69 7.95 3glgE1 GLN 52 H -0.05 -0.14 -0.21 -0.55 8.47 7.53 3glgE1 GLN 52 HA -0.03 0.30 0.77 -0.75 4.36 4.65 3glgE1 GLN 52 HB2 -0.01 -0.05 -0.08 -0.04 2.15 1.97 3glgE1 GLN 52 HB3 -0.01 -0.15 0.14 -0.04 2.02 1.95 3glgE1 GLN 52 HG2 0.01 -0.06 0.01 -0.04 2.40 2.31 3glgE1 GLN 52 HG3 -0.00 0.07 -0.01 -0.04 2.39 2.41 3glgE1 GLN 52 HE21 -0.00 0.01 0.01 -0.04 6.97 6.94 3glgE1 GLN 52 HE22 -0.00 -0.03 -0.01 -0.04 7.69 7.61 3glgE1 PRO 53 HA -0.04 -0.04 0.34 -0.51 4.44 4.19 3glgE1 PRO 53 HB2 0.03 0.15 -0.07 -0.04 2.28 2.35 3glgE1 PRO 53 HB3 -0.23 0.14 0.05 -0.04 2.02 1.94 3glgE1 PRO 53 HG2 -0.03 -0.07 0.07 -0.04 2.03 1.96 3glgE1 PRO 53 HG3 -0.15 0.14 0.03 -0.04 2.03 2.00 3glgE1 PRO 53 HD2 -0.05 0.15 -0.19 -0.04 3.68 3.54 3glgE1 PRO 53 HD3 -0.12 0.38 -0.25 -0.04 3.65 3.62 3glgE1 GLN 54 H 0.01 0.22 0.04 -0.55 8.47 8.19 3glgE1 GLN 54 HA 0.00 0.13 0.77 -0.75 4.36 4.51 3glgE1 GLN 54 HB2 0.00 -0.06 0.12 -0.04 2.15 2.18 3glgE1 GLN 54 HB3 -0.00 -0.03 0.08 -0.04 2.02 2.03 3glgE1 GLN 54 HG2 0.00 0.06 -0.04 -0.04 2.40 2.38 3glgE1 GLN 54 HG3 -0.00 -0.02 -0.00 -0.04 2.39 2.33 3glgE1 GLN 54 HE21 0.04 0.00 -0.00 -0.04 6.97 6.97 3glgE1 GLN 54 HE22 0.04 -0.02 -0.01 -0.04 7.69 7.67 3glgE1 GLY 55 H 0.01 0.31 -0.12 -0.55 8.43 8.08 3glgE1 GLY 55 HA2 -0.04 0.07 0.25 -0.51 4.01 3.79 3glgE1 GLY 55 HA3 -0.10 -0.03 0.55 -0.51 4.01 3.92 3glgE1 HIS 56 H -0.19 0.08 0.16 -0.55 8.41 7.92 3glgE1 HIS 56 HA -0.16 0.11 0.47 -0.75 4.63 4.29 3glgE1 HIS 56 HB2 0.06 -0.03 0.03 -0.04 3.26 3.29 3glgE1 HIS 56 HB3 0.11 -0.00 -0.05 -0.04 3.20 3.21 3glgE1 HIS 56 HD2 0.03 -0.01 0.02 -0.04 6.97 6.97 3glgE1 HIS 56 HE1 -0.12 0.03 0.01 -0.04 7.75 7.63 3glgE1 LYS 57 H 0.10 0.24 -0.19 -0.55 8.42 8.02 3glgE1 LYS 57 HA 0.07 0.03 0.24 -0.75 4.32 3.90 3glgE1 LYS 57 HB2 0.02 0.12 0.06 -0.04 1.87 2.03 3glgE1 LYS 57 HB3 -0.02 0.06 -0.05 -0.04 1.79 1.74 3glgE1 LYS 57 HG2 -0.02 -0.00 -0.02 -0.04 1.46 1.38 3glgE1 LYS 57 HG3 0.06 -0.10 0.04 -0.04 1.46 1.42 3glgE1 LYS 57 HD2 -0.00 0.03 0.04 -0.04 1.69 1.72 3glgE1 LYS 57 HD3 -0.02 0.02 -0.01 -0.04 1.68 1.63 3glgE1 LYS 57 HE2 -0.05 0.00 -0.01 -0.04 2.99 2.89 3glgE1 LYS 57 HE3 0.01 -0.03 -0.00 -0.04 2.99 2.92 3glgE1 SER 58 H -0.03 0.14 0.08 -0.55 8.46 8.11 3glgE1 SER 58 HA -0.05 0.12 0.78 -0.75 4.49 4.58 3glgE1 SER 58 HB2 -0.12 -0.10 -0.08 -0.04 3.95 3.61 3glgE1 SER 58 HB3 -0.09 0.16 -0.17 -0.04 3.93 3.79 3glgE1 CYS 59 H -0.08 0.09 0.02 -0.55 8.50 7.99 3glgE1 CYS 59 HA -0.08 0.14 0.18 -0.75 4.58 4.06 3glgE1 CYS 59 HB2 0.01 0.02 0.02 -0.04 2.97 2.98 3glgE1 CYS 59 HB3 -0.02 0.27 0.08 -0.04 2.97 3.25 3glgE1 GLY 60 H -0.18 -0.02 -0.07 -0.55 8.43 7.61 3glgE1 GLY 60 HA2 -0.21 0.07 0.21 -0.51 4.01 3.57 3glgE1 GLY 60 HA3 -0.46 0.27 0.69 -0.51 4.01 3.99 3glgE1 HIS 61 H -0.22 -0.02 -0.21 -0.55 8.41 7.42 3glgE1 HIS 61 HA -0.02 0.28 0.67 -0.75 4.63 4.80 3glgE1 HIS 61 HB2 -0.02 -0.02 -0.07 -0.04 3.26 3.11 3glgE1 HIS 61 HB3 -0.02 0.03 0.05 -0.04 3.20 3.21 3glgE1 HIS 61 HD2 -0.02 0.05 -0.18 -0.04 6.97 6.78 3glgE1 HIS 61 HE1 -0.02 0.01 0.00 -0.04 7.75 7.69 3glgE1 CYS 62 H -0.03 -0.13 -0.04 -0.55 8.50 7.75 3glgE1 CYS 62 HA 0.01 0.24 0.67 -0.75 4.58 4.76 3glgE1 CYS 62 HB2 -0.01 0.06 0.13 -0.04 2.97 3.12 3glgE1 CYS 62 HB3 -0.01 0.09 0.08 -0.04 2.97 3.09 3glgE1 ARG 63 H -0.01 0.18 0.14 -0.55 8.46 8.22 3glgE1 ARG 63 HA -0.01 0.12 0.33 -0.75 4.34 4.02 3glgE1 ARG 63 HB2 -0.02 -0.02 0.18 -0.04 1.90 1.99 3glgE1 ARG 63 HB3 -0.04 0.07 0.07 -0.04 1.80 1.87 3glgE1 ARG 63 HG2 -0.01 0.02 0.08 -0.04 1.67 1.71 3glgE1 ARG 63 HG3 -0.01 -0.01 0.13 -0.04 1.67 1.74 3glgE1 ARG 63 HD2 -0.02 0.04 0.04 -0.04 3.22 3.25 3glgE1 ARG 63 HD3 -0.02 0.02 0.04 -0.04 3.22 3.21 3glgE1 GLY 64 H -0.00 0.11 -0.03 -0.55 8.43 7.97 3glgE1 GLY 64 HA2 0.10 0.08 0.34 -0.51 4.01 4.02 3glgE1 GLY 64 HA3 0.07 0.21 0.30 -0.51 4.01 4.07 3glgE1 CYS 65 H -0.03 -0.08 -0.28 -0.55 8.50 7.56 3glgE1 CYS 65 HA -0.08 0.07 0.20 -0.75 4.58 4.02 3glgE1 CYS 65 HB2 -0.08 -0.10 -0.11 -0.04 2.97 2.64 3glgE1 CYS 65 HB3 -0.11 0.13 -0.13 -0.04 2.97 2.82 3glgE1 GLN 66 H -0.02 0.52 -0.35 -0.55 8.47 8.07 3glgE1 GLN 66 HA -0.02 0.04 0.36 -0.75 4.36 3.99 3glgE1 GLN 66 HB2 -0.01 0.07 0.15 -0.04 2.15 2.32 3glgE1 GLN 66 HB3 -0.00 -0.07 -0.01 -0.04 2.02 1.90 3glgE1 GLN 66 HG2 -0.00 0.03 -0.09 -0.04 2.40 2.29 3glgE1 GLN 66 HG3 -0.00 0.16 -0.31 -0.04 2.39 2.20 3glgE1 GLN 66 HE21 0.01 -0.06 -0.05 -0.04 6.97 6.84 3glgE1 GLN 66 HE22 0.01 -0.02 -0.23 -0.04 7.69 7.41 3glgE1 LEU 67 H -0.00 0.52 -0.00 -0.55 8.37 8.34 3glgE1 LEU 67 HA 0.00 0.01 0.30 -0.75 4.35 3.91 3glgE1 LEU 67 HB2 -0.01 0.05 0.15 -0.04 1.64 1.78 3glgE1 LEU 67 HB3 -0.01 0.14 0.08 -0.04 1.64 1.81 3glgE1 LEU 67 HG -0.06 -0.06 0.02 -0.04 1.64 1.50 3glgE1 LEU 67 HD13 -0.27 -0.05 -0.04 -0.04 0.93 0.53 3glgE1 LEU 67 HD23 -0.05 0.00 0.06 -0.04 0.89 0.87 3glgE1 MET 68 H 0.07 0.57 -0.15 -0.55 8.47 8.42 3glgE1 MET 68 HA -0.04 0.02 0.20 -0.75 4.52 3.94 3glgE1 MET 68 HB2 -0.07 0.05 -0.06 -0.04 2.15 2.02 3glgE1 MET 68 HB3 -0.10 0.09 -0.02 -0.04 2.03 1.96 3glgE1 MET 68 HG2 -0.36 -0.05 -0.13 -0.04 2.63 2.04 3glgE1 MET 68 HG3 -0.29 -0.01 -0.17 -0.04 2.56 2.06 3glgE1 MET 68 HE3 -0.68 0.01 -0.02 -0.04 2.10 1.36 3glgE1 GLN 69 H -0.02 0.57 -0.40 -0.55 8.47 8.08 3glgE1 GLN 69 HA 0.01 -0.08 0.25 -0.75 4.36 3.78 3glgE1 GLN 69 HB2 -0.03 0.21 0.29 -0.04 2.15 2.58 3glgE1 GLN 69 HB3 -0.01 -0.08 0.01 -0.04 2.02 1.90 3glgE1 GLN 69 HG2 -0.02 -0.08 0.06 -0.04 2.40 2.32 3glgE1 GLN 69 HG3 -0.03 -0.07 0.02 -0.04 2.39 2.27 3glgE1 GLN 69 HE21 -0.11 -0.05 -0.01 -0.04 6.97 6.76 3glgE1 GLN 69 HE22 -0.07 -0.03 -0.03 -0.04 7.69 7.51 3glgE1 ALA 70 H 0.01 0.42 -0.82 -0.55 8.40 7.46 3glgE1 ALA 70 HA 0.02 0.10 0.77 -0.75 4.34 4.48 3glgE1 ALA 70 HB3 0.01 -0.02 0.10 -0.04 1.41 1.46 3glgE1 GLY 71 H 0.04 0.34 -0.29 -0.55 8.43 7.97 3glgE1 GLY 71 HA2 0.09 -0.03 0.38 -0.51 4.01 3.93 3glgE1 GLY 71 HA3 0.07 -0.02 0.48 -0.51 4.01 4.03 3glgE1 THR 72 H 0.05 0.73 -0.05 -0.55 8.28 8.46 3glgE1 THR 72 HA 0.10 0.04 0.26 -0.75 4.39 4.04 3glgE1 THR 72 HB 0.05 -0.04 0.07 -0.04 4.32 4.36 3glgE1 THR 72 HG23 0.02 0.03 0.16 -0.04 1.22 1.39 3glgE1 HIS 73 H 0.17 0.35 0.10 -0.55 8.41 8.48 3glgE1 HIS 73 HA -0.00 0.15 0.50 -0.75 4.63 4.53 3glgE1 HIS 73 HB2 -0.04 0.02 -0.36 -0.04 3.26 2.84 3glgE1 HIS 73 HB3 -0.03 0.03 0.07 -0.04 3.20 3.22 3glgE1 HIS 73 HD2 -0.06 0.08 0.02 -0.04 6.97 6.97 3glgE1 HIS 73 HE1 -0.02 0.04 -0.14 -0.04 7.75 7.59 3glgE1 PRO 74 HA 0.07 0.06 0.30 -0.51 4.44 4.36 3glgE1 PRO 74 HB2 0.02 -0.02 -0.25 -0.04 2.28 1.99 3glgE1 PRO 74 HB3 0.03 0.04 0.00 -0.04 2.02 2.05 3glgE1 PRO 74 HG2 -0.19 0.06 -0.08 -0.04 2.03 1.78 3glgE1 PRO 74 HG3 -0.04 0.07 -0.01 -0.04 2.03 2.01 3glgE1 PRO 74 HD2 -0.24 0.15 0.12 -0.04 3.68 3.67 3glgE1 PRO 74 HD3 -0.02 0.17 -0.14 -0.04 3.65 3.62 3glgE1 ASP 75 H 0.55 0.13 -0.72 -0.55 8.40 7.81 3glgE1 ASP 75 HA -0.25 0.24 0.87 -0.75 4.63 4.73 3glgE1 ASP 75 HB2 0.23 0.01 -0.05 -0.04 2.71 2.87 3glgE1 ASP 75 HB3 0.04 0.17 0.14 -0.04 2.70 3.01 3glgE1 TYR 76 H -0.10 0.52 0.12 -0.55 8.29 8.28 3glgE1 TYR 76 HA -0.18 0.26 0.92 -0.75 4.56 4.80 3glgE1 TYR 76 HB2 -0.23 -0.05 0.02 -0.04 3.06 2.76 3glgE1 TYR 76 HB3 -0.09 0.09 0.24 -0.04 2.98 3.18 3glgE1 TYR 76 HD2 0.02 0.03 -0.04 -0.04 7.15 7.12 3glgE1 TYR 76 HE2 0.13 -0.03 -0.10 -0.04 6.85 6.81 3glgE1 TYR 77 H -0.15 0.76 0.32 -0.55 8.29 8.67 3glgE1 TYR 77 HA -0.04 0.13 0.95 -0.75 4.56 4.86 3glgE1 TYR 77 HB2 -0.02 -0.03 0.10 -0.04 3.06 3.08 3glgE1 TYR 77 HB3 -0.00 -0.04 -0.04 -0.04 2.98 2.86 3glgE1 TYR 77 HD2 0.00 -0.01 -0.15 -0.04 7.15 6.95 3glgE1 TYR 77 HE2 0.03 0.01 -0.12 -0.04 6.85 6.73 3glgE1 THR 78 H 0.02 0.20 0.11 -0.55 8.28 8.06 3glgE1 THR 78 HA -0.02 0.24 1.10 -0.75 4.39 4.96 3glgE1 THR 78 HB 0.06 0.01 0.16 -0.04 4.32 4.51 3glgE1 THR 78 HG23 -0.13 -0.05 -0.16 -0.04 1.22 0.84 3glgE1 LEU 79 H -0.08 0.79 0.19 -0.55 8.37 8.73 3glgE1 LEU 79 HA -0.03 0.23 0.98 -0.75 4.35 4.78 3glgE1 LEU 79 HB2 -0.01 0.01 0.13 -0.04 1.64 1.74 3glgE1 LEU 79 HB3 -0.03 -0.07 0.08 -0.04 1.64 1.58 3glgE1 LEU 79 HG 0.06 0.03 -0.22 -0.04 1.64 1.47 3glgE1 LEU 79 HD13 0.07 -0.00 -0.10 -0.04 0.93 0.85 3glgE1 LEU 79 HD23 0.00 0.03 -0.15 -0.04 0.89 0.73 3glgE1 ALA 80 H -0.11 0.23 -0.20 -0.55 8.40 7.77 3glgE1 ALA 80 HA -0.16 0.07 0.81 -0.75 4.34 4.30 3glgE1 ALA 80 HB3 -0.17 0.02 0.07 -0.04 1.41 1.28 3glgE1 PRO 81 HA -0.03 0.08 0.79 -0.51 4.44 4.77 3glgE1 PRO 81 HB2 -0.02 0.21 -0.18 -0.04 2.28 2.25 3glgE1 PRO 81 HB3 -0.02 0.27 -0.19 -0.04 2.02 2.04 3glgE1 PRO 81 HG2 -0.03 0.10 -0.11 -0.04 2.03 1.95 3glgE1 PRO 81 HG3 -0.04 -0.03 -0.28 -0.04 2.03 1.64 3glgE1 PRO 81 HD2 -0.05 0.16 0.12 -0.04 3.68 3.87 3glgE1 PRO 81 HD3 -0.09 0.01 0.13 -0.04 3.65 3.67 3glgE1 GLU 82 H -0.01 0.03 0.18 -0.55 8.60 8.25 3glgE1 GLU 82 HA -0.00 0.09 0.46 -0.75 4.29 4.08 3glgE1 GLU 82 HB2 -0.01 -0.05 0.10 -0.04 2.09 2.10 3glgE1 GLU 82 HB3 -0.00 -0.04 0.05 -0.04 1.99 1.96 3glgE1 GLU 82 HG2 -0.00 -0.05 0.13 -0.04 2.34 2.37 3glgE1 GLU 82 HG3 -0.00 -0.00 0.06 -0.04 2.34 2.36 3glgE1 LYS 83 H 0.00 0.08 0.18 -0.55 8.42 8.13 3glgE1 LYS 83 HA 0.00 0.20 0.10 -0.75 4.32 3.86 3glgE1 LYS 83 HB2 0.01 -0.07 0.19 -0.04 1.87 1.95 3glgE1 LYS 83 HB3 0.01 0.04 0.03 -0.04 1.79 1.82 3glgE1 LYS 83 HG2 0.01 0.07 0.05 -0.04 1.46 1.55 3glgE1 LYS 83 HG3 0.01 -0.02 0.09 -0.04 1.46 1.50 3glgE1 LYS 83 HD2 0.01 -0.02 0.04 -0.04 1.69 1.68 3glgE1 LYS 83 HD3 0.01 0.01 0.02 -0.04 1.68 1.68 3glgE1 LYS 83 HE2 0.02 0.02 0.01 -0.04 2.99 3.00 3glgE1 LYS 83 HE3 0.02 0.00 0.02 -0.04 2.99 2.99 3glgE1 GLY 84 H 0.00 -0.01 -0.03 -0.55 8.43 7.85 3glgE1 GLY 84 HA2 -0.00 0.07 0.41 -0.51 4.01 3.98 3glgE1 GLY 84 HA3 -0.00 -0.05 0.30 -0.51 4.01 3.75 3glgE1 LYS 85 H -0.00 0.50 -0.50 -0.55 8.42 7.86 3glgE1 LYS 85 HA -0.01 0.19 0.70 -0.75 4.32 4.46 3glgE1 LYS 85 HB2 -0.01 0.05 0.06 -0.04 1.87 1.93 3glgE1 LYS 85 HB3 -0.01 -0.19 0.17 -0.04 1.79 1.71 3glgE1 LYS 85 HG2 -0.01 0.11 -0.21 -0.04 1.46 1.31 3glgE1 LYS 85 HG3 -0.00 -0.15 -0.31 -0.04 1.46 0.95 3glgE1 LYS 85 HD2 -0.00 -0.04 -0.03 -0.04 1.69 1.58 3glgE1 LYS 85 HD3 -0.01 -0.03 0.00 -0.04 1.68 1.61 3glgE1 LYS 85 HE2 -0.00 -0.00 -0.01 -0.04 2.99 2.93 3glgE1 LYS 85 HE3 -0.00 0.05 -0.06 -0.04 2.99 2.94 3glgE1 ASN 86 H -0.01 -0.03 0.19 -0.55 8.53 8.14 3glgE1 ASN 86 HA -0.01 0.24 0.78 -0.75 4.76 5.02 3glgE1 ASN 86 HB2 -0.01 0.02 0.20 -0.04 2.88 3.05 3glgE1 ASN 86 HB3 -0.01 0.09 0.01 -0.04 2.79 2.85 3glgE1 ASN 86 HD21 -0.01 -0.05 0.02 -0.04 7.03 6.96 3glgE1 ASN 86 HD22 -0.01 0.05 0.01 -0.04 7.74 7.75 3glgE1 THR 87 H -0.01 -0.05 0.19 -0.55 8.28 7.86 3glgE1 THR 87 HA -0.01 0.36 0.91 -0.75 4.39 4.90 3glgE1 THR 87 HB -0.01 0.03 0.09 -0.04 4.32 4.38 3glgE1 THR 87 HG23 -0.01 0.01 -0.04 -0.04 1.22 1.13 3glgE1 LEU 88 H -0.02 0.79 0.16 -0.55 8.37 8.75 3glgE1 LEU 88 HA -0.02 0.09 0.76 -0.75 4.35 4.43 3glgE1 LEU 88 HB2 -0.04 0.02 -0.34 -0.04 1.64 1.25 3glgE1 LEU 88 HB3 -0.02 0.05 -0.36 -0.04 1.64 1.26 3glgE1 LEU 88 HG -0.02 -0.04 -0.26 -0.04 1.64 1.28 3glgE1 LEU 88 HD13 -0.04 -0.03 -0.33 -0.04 0.93 0.49 3glgE1 LEU 88 HD23 -0.03 -0.00 -0.16 -0.04 0.89 0.65 3glgE1 GLY 89 H -0.01 0.14 0.11 -0.55 8.43 8.12 3glgE1 GLY 89 HA2 -0.01 0.05 0.25 -0.51 4.01 3.79 3glgE1 GLY 89 HA3 -0.01 0.02 0.33 -0.51 4.01 3.84 3glgE1 VAL 90 H -0.01 0.15 0.19 -0.55 8.24 8.02 3glgE1 VAL 90 HA -0.01 0.17 0.26 -0.75 4.13 3.80 3glgE1 VAL 90 HB -0.01 -0.10 -0.13 -0.04 2.12 1.84 3glgE1 VAL 90 HG13 -0.01 0.02 0.04 -0.04 0.97 0.98 3glgE1 VAL 90 HG23 -0.01 0.05 -0.13 -0.04 0.95 0.82 3glgE1 ASP 91 H -0.01 0.03 -0.04 -0.55 8.40 7.84 3glgE1 ASP 91 HA -0.01 0.13 0.35 -0.75 4.63 4.35 3glgE1 ASP 91 HB2 -0.00 -0.08 0.11 -0.04 2.71 2.70 3glgE1 ASP 91 HB3 -0.00 0.10 -0.02 -0.04 2.70 2.73 3glgE1 ALA 92 H -0.01 -0.01 -0.36 -0.55 8.40 7.48 3glgE1 ALA 92 HA -0.01 0.07 0.35 -0.75 4.34 4.01 3glgE1 ALA 92 HB3 -0.01 0.06 0.02 -0.04 1.41 1.43 3glgE1 VAL 93 H -0.01 0.22 -0.34 -0.55 8.24 7.56 3glgE1 VAL 93 HA 0.00 0.08 0.43 -0.75 4.13 3.88 3glgE1 VAL 93 HB -0.01 0.06 0.16 -0.04 2.12 2.29 3glgE1 VAL 93 HG13 -0.00 0.01 -0.32 -0.04 0.97 0.61 3glgE1 VAL 93 HG23 -0.00 0.05 -0.05 -0.04 0.95 0.90 3glgE1 ARG 94 H -0.01 0.44 -0.09 -0.55 8.46 8.24 3glgE1 ARG 94 HA -0.01 0.04 0.25 -0.75 4.34 3.87 3glgE1 ARG 94 HB2 -0.01 0.04 0.15 -0.04 1.90 2.04 3glgE1 ARG 94 HB3 -0.01 -0.01 0.01 -0.04 1.80 1.75 3glgE1 ARG 94 HG2 -0.01 0.03 0.02 -0.04 1.67 1.67 3glgE1 ARG 94 HG3 -0.01 0.10 0.03 -0.04 1.67 1.75 3glgE1 ARG 94 HD2 -0.01 0.02 -0.01 -0.04 3.22 3.18 3glgE1 ARG 94 HD3 -0.01 -0.00 -0.02 -0.04 3.22 3.15 3glgE1 GLU 95 H -0.02 0.37 -0.21 -0.55 8.60 8.20 3glgE1 GLU 95 HA -0.04 0.01 0.52 -0.75 4.29 4.02 3glgE1 GLU 95 HB2 -0.04 0.11 0.09 -0.04 2.09 2.21 3glgE1 GLU 95 HB3 -0.04 0.00 -0.06 -0.04 1.99 1.86 3glgE1 GLU 95 HG2 -0.01 -0.04 0.04 -0.04 2.34 2.29 3glgE1 GLU 95 HG3 -0.01 0.13 0.05 -0.04 2.34 2.46 3glgE1 VAL 96 H -0.07 0.30 -0.15 -0.55 8.24 7.77 3glgE1 VAL 96 HA -0.40 0.02 0.38 -0.75 4.13 3.38 3glgE1 VAL 96 HB -0.02 0.11 0.12 -0.04 2.12 2.28 3glgE1 VAL 96 HG13 -0.13 -0.00 -0.17 -0.04 0.97 0.63 3glgE1 VAL 96 HG23 -0.06 0.01 -0.01 -0.04 0.95 0.85 3glgE1 THR 97 H -0.03 0.59 -0.06 -0.55 8.28 8.23 3glgE1 THR 97 HA 0.01 0.09 0.37 -0.75 4.39 4.10 3glgE1 THR 97 HB 0.01 -0.02 0.01 -0.04 4.32 4.27 3glgE1 THR 97 HG23 0.05 0.03 -0.03 -0.04 1.22 1.22 3glgE1 GLU 98 H -0.05 0.51 -0.24 -0.55 8.60 8.27 3glgE1 GLU 98 HA -0.02 0.03 0.51 -0.75 4.29 4.04 3glgE1 GLU 98 HB2 -0.04 0.12 0.27 -0.04 2.09 2.41 3glgE1 GLU 98 HB3 -0.02 -0.06 -0.02 -0.04 1.99 1.84 3glgE1 GLU 98 HG2 -0.01 -0.05 0.03 -0.04 2.34 2.26 3glgE1 GLU 98 HG3 -0.02 -0.02 0.04 -0.04 2.34 2.30 3glgE1 LYS 99 H -0.10 0.58 0.13 -0.55 8.42 8.48 3glgE1 LYS 99 HA -0.02 -0.08 0.36 -0.75 4.32 3.84 3glgE1 LYS 99 HB2 -0.33 0.09 0.05 -0.04 1.87 1.63 3glgE1 LYS 99 HB3 -0.02 -0.00 0.03 -0.04 1.79 1.76 3glgE1 LYS 99 HG2 -0.00 -0.07 0.06 -0.04 1.46 1.41 3glgE1 LYS 99 HG3 -0.07 0.09 0.11 -0.04 1.46 1.55 3glgE1 LYS 99 HD2 -0.10 -0.03 -0.12 -0.04 1.69 1.40 3glgE1 LYS 99 HD3 0.06 0.05 -0.03 -0.04 1.68 1.71 3glgE1 LYS 99 HE2 0.03 -0.02 0.00 -0.04 2.99 2.96 3glgE1 LYS 99 HE3 0.02 -0.06 -0.02 -0.04 2.99 2.88 3glgE1 LEU 100 H -0.12 0.31 -0.81 -0.55 8.37 7.21 3glgE1 LEU 100 HA 0.02 0.01 0.31 -0.75 4.35 3.93 3glgE1 LEU 100 HB2 -0.04 0.21 0.06 -0.04 1.64 1.83 3glgE1 LEU 100 HB3 -0.02 -0.04 -0.00 -0.04 1.64 1.54 3glgE1 LEU 100 HG -0.19 0.02 -0.06 -0.04 1.64 1.37 3glgE1 LEU 100 HD13 0.02 -0.04 -0.16 -0.04 0.93 0.72 3glgE1 LEU 100 HD23 0.06 -0.01 -0.07 -0.04 0.89 0.82 3glgE1 ASN 101 H -0.02 0.65 -0.18 -0.55 8.53 8.43 3glgE1 ASN 101 HA -0.05 0.08 0.65 -0.75 4.76 4.70 3glgE1 ASN 101 HB2 -0.01 -0.03 0.09 -0.04 2.88 2.89 3glgE1 ASN 101 HB3 -0.02 -0.11 0.08 -0.04 2.79 2.70 3glgE1 ASN 101 HD21 -0.01 -0.05 0.02 -0.04 7.03 6.94 3glgE1 ASN 101 HD22 -0.01 -0.09 0.07 -0.04 7.74 7.66 3glgE1 GLU 102 H 0.02 0.17 -0.10 -0.55 8.60 8.13 3glgE1 GLU 102 HA 0.12 -0.12 0.55 -0.75 4.29 4.08 3glgE1 GLU 102 HB2 0.08 0.13 0.06 -0.04 2.09 2.32 3glgE1 GLU 102 HB3 0.09 -0.08 0.09 -0.04 1.99 2.04 3glgE1 GLU 102 HG2 0.04 -0.09 0.05 -0.04 2.34 2.29 3glgE1 GLU 102 HG3 0.03 0.13 0.19 -0.04 2.34 2.64 3glgE1 HIS 103 H 0.39 -0.01 0.16 -0.55 8.41 8.41 3glgE1 HIS 103 HA 0.01 0.07 0.50 -0.75 4.63 4.46 3glgE1 HIS 103 HB2 0.02 -0.06 0.01 -0.04 3.26 3.19 3glgE1 HIS 103 HB3 0.01 0.01 0.02 -0.04 3.20 3.20 3glgE1 HIS 103 HD2 0.00 0.00 0.04 -0.04 6.97 6.97 3glgE1 HIS 103 HE1 0.00 -0.03 0.04 -0.04 7.75 7.72 3glgE1 ALA 104 H 0.06 0.16 0.12 -0.55 8.40 8.19 3glgE1 ALA 104 HA 0.10 0.14 0.28 -0.75 4.34 4.10 3glgE1 ALA 104 HB3 0.07 0.01 0.01 -0.04 1.41 1.45 3glgE1 ARG 105 H 0.10 0.24 0.07 -0.55 8.46 8.32 3glgE1 ARG 105 HA 0.05 0.10 0.20 -0.75 4.34 3.94 3glgE1 ARG 105 HB2 0.06 0.00 0.04 -0.04 1.90 1.97 3glgE1 ARG 105 HB3 0.03 -0.04 0.15 -0.04 1.80 1.90 3glgE1 ARG 105 HG2 0.06 -0.03 0.04 -0.04 1.67 1.70 3glgE1 ARG 105 HG3 0.09 0.14 0.04 -0.04 1.67 1.91 3glgE1 ARG 105 HD2 0.07 -0.05 0.04 -0.04 3.22 3.25 3glgE1 ARG 105 HD3 0.06 -0.06 0.03 -0.04 3.22 3.21 3glgE1 LEU 106 H 0.05 -0.02 -1.09 -0.55 8.37 6.76 3glgE1 LEU 106 HA -0.02 0.12 0.48 -0.75 4.35 4.18 3glgE1 LEU 106 HB2 -0.13 0.07 -0.12 -0.04 1.64 1.43 3glgE1 LEU 106 HB3 -0.05 -0.04 -0.15 -0.04 1.64 1.36 3glgE1 LEU 106 HG -0.07 0.00 0.08 -0.04 1.64 1.62 3glgE1 LEU 106 HD13 -0.42 -0.03 -0.05 -0.04 0.93 0.40 3glgE1 LEU 106 HD23 0.04 -0.01 -0.00 -0.04 0.89 0.89 3glgE1 GLY 107 H 0.05 0.92 0.08 -0.55 8.43 8.94 3glgE1 GLY 107 HA2 0.06 0.05 0.35 -0.51 4.01 3.96 3glgE1 GLY 107 HA3 0.04 -0.03 0.30 -0.51 4.01 3.81 3glgE1 GLY 108 H 0.07 -0.09 -0.36 -0.55 8.43 7.51 3glgE1 GLY 108 HA2 0.05 0.20 0.82 -0.51 4.01 4.57 3glgE1 GLY 108 HA3 0.08 -0.01 0.33 -0.51 4.01 3.90 3glgE1 ALA 109 H 0.08 0.15 0.13 -0.55 8.40 8.20 3glgE1 ALA 109 HA 0.07 0.26 0.91 -0.75 4.34 4.83 3glgE1 ALA 109 HB3 0.28 0.01 0.02 -0.04 1.41 1.68 3glgE1 LYS 110 H -0.01 0.74 0.43 -0.55 8.42 9.03 3glgE1 LYS 110 HA 0.02 0.29 1.06 -0.75 4.32 4.94 3glgE1 LYS 110 HB2 -0.02 -0.01 0.17 -0.04 1.87 1.98 3glgE1 LYS 110 HB3 0.14 -0.00 0.06 -0.04 1.79 1.95 3glgE1 LYS 110 HG2 0.08 -0.10 -0.11 -0.04 1.46 1.29 3glgE1 LYS 110 HG3 0.03 -0.03 -0.28 -0.04 1.46 1.14 3glgE1 LYS 110 HD2 0.11 0.02 -0.01 -0.04 1.69 1.77 3glgE1 LYS 110 HD3 0.09 -0.08 -0.08 -0.04 1.68 1.57 3glgE1 LYS 110 HE2 -0.02 -0.05 -0.00 -0.04 2.99 2.88 3glgE1 LYS 110 HE3 -0.05 0.01 -0.02 -0.04 2.99 2.89 3glgE1 VAL 111 H 0.03 0.54 0.36 -0.55 8.24 8.62 3glgE1 VAL 111 HA 0.11 0.33 1.14 -0.75 4.13 4.96 3glgE1 VAL 111 HB 0.37 0.08 0.06 -0.04 2.12 2.59 3glgE1 VAL 111 HG13 0.15 0.01 -0.21 -0.04 0.97 0.88 3glgE1 VAL 111 HG23 0.34 -0.06 -0.20 -0.04 0.95 0.99 3glgE1 VAL 112 H -0.03 0.68 0.31 -0.55 8.24 8.65 3glgE1 VAL 112 HA 0.13 0.22 1.04 -0.75 4.13 4.76 3glgE1 VAL 112 HB -0.21 -0.02 0.12 -0.04 2.12 1.97 3glgE1 VAL 112 HG13 0.33 -0.03 -0.23 -0.04 0.97 1.00 3glgE1 VAL 112 HG23 -0.09 0.01 -0.19 -0.04 0.95 0.64 3glgE1 TRP 113 H 0.20 0.67 0.28 -0.55 7.97 8.57 3glgE1 TRP 113 HA 0.25 0.27 1.02 -0.75 4.62 5.41 3glgE1 TRP 113 HB2 0.11 0.02 -0.03 -0.04 3.23 3.29 3glgE1 TRP 113 HB3 -0.06 -0.05 0.18 -0.04 3.23 3.27 3glgE1 TRP 113 HD1 0.21 0.24 -0.11 -0.04 7.22 7.52 3glgE1 TRP 113 HE1 0.12 0.01 -0.20 -0.04 10.20 10.09 3glgE1 TRP 113 HE3 0.13 0.03 -0.05 -0.04 7.59 7.66 3glgE1 TRP 113 HZ2 0.09 -0.09 -0.03 -0.04 7.44 7.37 3glgE1 TRP 113 HZ3 0.12 0.03 -0.04 -0.04 7.13 7.20 3glgE1 TRP 113 HH2 0.06 -0.02 -0.03 -0.04 7.19 7.17 3glgE1 VAL 114 H 0.35 0.84 0.29 -0.55 8.24 9.17 3glgE1 VAL 114 HA -0.11 0.13 0.89 -0.75 4.13 4.29 3glgE1 VAL 114 HB 0.12 -0.03 0.21 -0.04 2.12 2.37 3glgE1 VAL 114 HG13 -0.01 -0.02 -0.18 -0.04 0.97 0.72 3glgE1 VAL 114 HG23 0.14 0.03 -0.11 -0.04 0.95 0.97 3glgE1 THR 115 H -0.46 0.35 -0.02 -0.55 8.28 7.60 3glgE1 THR 115 HA -0.65 0.06 0.06 -0.75 4.39 3.11 3glgE1 THR 115 HB -0.34 -0.02 -0.01 -0.04 4.32 3.90 3glgE1 THR 115 HG23 -1.44 0.02 -0.10 -0.04 1.22 -0.35 3glgE1 ASP 116 H -0.10 0.16 -0.04 -0.55 8.40 7.87 3glgE1 ASP 116 HA 0.04 0.44 0.83 -0.75 4.63 5.18 3glgE1 ASP 116 HB2 0.02 0.10 -0.10 -0.04 2.71 2.68 3glgE1 ASP 116 HB3 -0.02 -0.01 0.13 -0.04 2.70 2.76 3glgE1 ALA 117 H 0.05 0.60 0.17 -0.55 8.40 8.67 3glgE1 ALA 117 HA 0.01 0.04 0.29 -0.75 4.34 3.92 3glgE1 ALA 117 HB3 0.03 0.02 -0.03 -0.04 1.41 1.39 3glgE1 ALA 118 H 0.02 0.06 -0.51 -0.55 8.40 7.42 3glgE1 ALA 118 HA 0.01 0.12 0.40 -0.75 4.34 4.11 3glgE1 ALA 118 HB3 0.01 -0.02 0.05 -0.04 1.41 1.42 3glgE1 LEU 119 H -0.01 0.58 -0.16 -0.55 8.37 8.23 3glgE1 LEU 119 HA -0.01 0.16 0.48 -0.75 4.35 4.23 3glgE1 LEU 119 HB2 -0.03 0.08 0.05 -0.04 1.64 1.70 3glgE1 LEU 119 HB3 -0.02 -0.12 0.00 -0.04 1.64 1.46 3glgE1 LEU 119 HG -0.01 -0.12 0.02 -0.04 1.64 1.49 3glgE1 LEU 119 HD13 -0.03 -0.03 -0.01 -0.04 0.93 0.83 3glgE1 LEU 119 HD23 -0.01 0.11 0.03 -0.04 0.89 0.98 3glgE1 LEU 120 H -0.01 0.22 -0.38 -0.55 8.37 7.65 3glgE1 LEU 120 HA -0.01 0.08 0.54 -0.75 4.35 4.20 3glgE1 LEU 120 HB2 -0.01 0.22 0.12 -0.04 1.64 1.93 3glgE1 LEU 120 HB3 -0.01 -0.08 -0.04 -0.04 1.64 1.46 3glgE1 LEU 120 HG -0.01 -0.06 -0.01 -0.04 1.64 1.51 3glgE1 LEU 120 HD13 -0.01 0.01 -0.02 -0.04 0.93 0.87 3glgE1 LEU 120 HD23 -0.01 0.01 -0.14 -0.04 0.89 0.70 3glgE1 THR 121 H -0.01 0.33 0.31 -0.55 8.28 8.35 3glgE1 THR 121 HA -0.01 0.20 0.66 -0.75 4.39 4.48 3glgE1 THR 121 HB -0.01 -0.44 0.09 -0.04 4.32 3.92 3glgE1 THR 121 HG23 -0.01 -0.03 0.11 -0.04 1.22 1.25 3glgE1 ASP 122 H -0.01 0.20 0.17 -0.55 8.40 8.22 3glgE1 ASP 122 HA -0.01 0.13 0.39 -0.75 4.63 4.39 3glgE1 ASP 122 HB2 -0.00 0.10 0.17 -0.04 2.71 2.93 3glgE1 ASP 122 HB3 -0.00 -0.05 0.14 -0.04 2.70 2.74 3glgE1 ALA 123 H -0.01 0.02 -0.20 -0.55 8.40 7.67 3glgE1 ALA 123 HA -0.01 0.14 0.44 -0.75 4.34 4.17 3glgE1 ALA 123 HB3 -0.01 -0.00 0.07 -0.04 1.41 1.43 3glgE1 ALA 124 H -0.01 -0.05 -0.17 -0.55 8.40 7.63 3glgE1 ALA 124 HA -0.01 0.00 0.43 -0.75 4.34 4.00 3glgE1 ALA 124 HB3 -0.01 -0.03 -0.02 -0.04 1.41 1.31 3glgE1 ALA 125 H -0.01 0.73 -0.24 -0.55 8.40 8.33 3glgE1 ALA 125 HA -0.02 0.05 0.39 -0.75 4.34 4.01 3glgE1 ALA 125 HB3 -0.01 0.03 0.06 -0.04 1.41 1.44 3glgE1 ASN 126 H -0.01 0.44 -0.08 -0.55 8.53 8.34 3glgE1 ASN 126 HA -0.02 0.03 0.33 -0.75 4.76 4.35 3glgE1 ASN 126 HB2 -0.01 0.06 0.16 -0.04 2.88 3.04 3glgE1 ASN 126 HB3 -0.01 -0.01 0.04 -0.04 2.79 2.77 3glgE1 ASN 126 HD21 -0.01 -0.09 0.05 -0.04 7.03 6.94 3glgE1 ASN 126 HD22 -0.01 0.54 0.23 -0.04 7.74 8.47 3glgE1 ALA 127 H -0.01 0.50 -0.24 -0.55 8.40 8.10 3glgE1 ALA 127 HA -0.01 -0.01 0.32 -0.75 4.34 3.89 3glgE1 ALA 127 HB3 -0.01 0.01 0.09 -0.04 1.41 1.46 3glgE1 LEU 128 H -0.03 0.43 -0.70 -0.55 8.37 7.53 3glgE1 LEU 128 HA -0.05 0.06 0.46 -0.75 4.35 4.07 3glgE1 LEU 128 HB2 -0.04 0.05 0.07 -0.04 1.64 1.68 3glgE1 LEU 128 HB3 -0.06 0.17 0.07 -0.04 1.64 1.78 3glgE1 LEU 128 HG -0.20 0.02 -0.03 -0.04 1.64 1.39 3glgE1 LEU 128 HD13 -0.06 -0.01 -0.05 -0.04 0.93 0.77 3glgE1 LEU 128 HD23 -0.05 -0.03 -0.07 -0.04 0.89 0.71 3glgE1 LEU 129 H -0.03 0.57 -0.26 -0.55 8.37 8.11 3glgE1 LEU 129 HA -0.05 0.08 0.09 -0.75 4.35 3.72 3glgE1 LEU 129 HB2 -0.02 0.20 0.20 -0.04 1.64 1.98 3glgE1 LEU 129 HB3 -0.02 -0.01 -0.14 -0.04 1.64 1.43 3glgE1 LEU 129 HG -0.02 0.04 -0.04 -0.04 1.64 1.58 3glgE1 LEU 129 HD13 -0.01 -0.03 -0.03 -0.04 0.93 0.81 3glgE1 LEU 129 HD23 -0.02 -0.03 -0.29 -0.04 0.89 0.51 3glgE1 LYS 130 H -0.02 0.15 -0.04 -0.55 8.42 7.96 3glgE1 LYS 130 HA -0.01 0.11 0.54 -0.75 4.32 4.21 3glgE1 LYS 130 HB2 -0.01 -0.01 0.10 -0.04 1.87 1.90 3glgE1 LYS 130 HB3 -0.01 0.07 -0.00 -0.04 1.79 1.80 3glgE1 LYS 130 HG2 -0.01 0.03 -0.02 -0.04 1.46 1.42 3glgE1 LYS 130 HG3 -0.01 -0.03 0.01 -0.04 1.46 1.38 3glgE1 LYS 130 HD2 -0.01 -0.04 -0.01 -0.04 1.69 1.59 3glgE1 LYS 130 HD3 -0.01 0.01 -0.01 -0.04 1.68 1.63 3glgE1 LYS 130 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.90 3glgE1 LYS 130 HE3 -0.01 0.05 -0.01 -0.04 2.99 2.97 3glgE1 THR 131 H -0.01 0.10 -0.19 -0.55 8.28 7.62 3glgE1 THR 131 HA 0.01 0.13 0.27 -0.75 4.39 4.04 3glgE1 THR 131 HB 0.02 0.04 -0.03 -0.04 4.32 4.31 3glgE1 THR 131 HG23 0.16 0.01 -0.06 -0.04 1.22 1.29 3glgE1 LEU 132 H -0.07 0.20 -0.58 -0.55 8.37 7.38 3glgE1 LEU 132 HA -0.17 0.07 0.29 -0.75 4.35 3.79 3glgE1 LEU 132 HB2 -0.26 0.21 0.06 -0.04 1.64 1.61 3glgE1 LEU 132 HB3 -0.09 0.00 -0.04 -0.04 1.64 1.47 3glgE1 LEU 132 HG -0.11 0.07 -0.05 -0.04 1.64 1.50 3glgE1 LEU 132 HD13 -0.95 -0.03 -0.08 -0.04 0.93 -0.17 3glgE1 LEU 132 HD23 -0.11 -0.04 -0.14 -0.04 0.89 0.55 3glgE1 GLU 133 H -0.00 0.30 -0.20 -0.55 8.60 8.15 3glgE1 GLU 133 HA 0.12 0.06 0.56 -0.75 4.29 4.28 3glgE1 GLU 133 HB2 0.02 -0.01 0.14 -0.04 2.09 2.19 3glgE1 GLU 133 HB3 0.00 0.04 0.15 -0.04 1.99 2.14 3glgE1 GLU 133 HG2 0.01 0.00 -0.12 -0.04 2.34 2.19 3glgE1 GLU 133 HG3 0.04 0.01 0.08 -0.04 2.34 2.43 3glgE1 GLU 134 H -0.02 0.29 -0.28 -0.55 8.60 8.04 3glgE1 GLU 134 HA -0.21 0.18 0.77 -0.75 4.29 4.28 3glgE1 GLU 134 HB2 -0.08 -0.02 0.07 -0.04 2.09 2.03 3glgE1 GLU 134 HB3 -0.08 0.00 -0.02 -0.04 1.99 1.85 3glgE1 GLU 134 HG2 -0.03 -0.08 -0.09 -0.04 2.34 2.10 3glgE1 GLU 134 HG3 -0.03 -0.03 0.04 -0.04 2.34 2.28 3glgE1 PRO 135 HA 0.00 0.01 0.51 -0.51 4.44 4.46 3glgE1 PRO 135 HB2 -0.12 0.16 -0.02 -0.04 2.28 2.26 3glgE1 PRO 135 HB3 0.15 -0.07 0.07 -0.04 2.02 2.13 3glgE1 PRO 135 HG2 -0.12 0.01 0.04 -0.04 2.03 1.91 3glgE1 PRO 135 HG3 0.21 0.07 0.01 -0.04 2.03 2.28 3glgE1 PRO 135 HD2 -0.39 0.03 0.11 -0.04 3.68 3.38 3glgE1 PRO 135 HD3 -0.46 0.20 -0.17 -0.04 3.65 3.18 3glgE1 PRO 136 HA -0.10 -0.00 0.49 -0.51 4.44 4.32 3glgE1 PRO 136 HB2 -0.11 0.14 0.01 -0.04 2.28 2.27 3glgE1 PRO 136 HB3 -0.10 -0.05 0.16 -0.04 2.02 1.99 3glgE1 PRO 136 HG2 -0.06 0.23 0.02 -0.04 2.03 2.18 3glgE1 PRO 136 HG3 -0.05 -0.04 0.01 -0.04 2.03 1.91 3glgE1 PRO 136 HD2 -0.04 0.08 0.16 -0.04 3.68 3.84 3glgE1 PRO 136 HD3 -0.02 0.09 0.18 -0.04 3.65 3.86 3glgE1 ALA 137 H -0.12 0.03 0.14 -0.55 8.40 7.90 3glgE1 ALA 137 HA -0.21 0.18 0.53 -0.75 4.34 4.08 3glgE1 ALA 137 HB3 -0.09 -0.01 0.11 -0.04 1.41 1.38 3glgE1 GLU 138 H -0.32 0.15 0.18 -0.55 8.60 8.07 3glgE1 GLU 138 HA -0.33 0.04 0.33 -0.75 4.29 3.57 3glgE1 GLU 138 HB2 -0.07 0.18 -0.25 -0.04 2.09 1.91 3glgE1 GLU 138 HB3 0.05 -0.04 0.17 -0.04 1.99 2.13 3glgE1 GLU 138 HG2 -0.02 -0.11 -0.07 -0.04 2.34 2.09 3glgE1 GLU 138 HG3 0.03 0.01 -0.09 -0.04 2.34 2.24 3glgE1 THR 139 H -0.65 0.16 -0.46 -0.55 8.28 6.78 3glgE1 THR 139 HA -0.33 0.20 1.04 -0.75 4.39 4.54 3glgE1 THR 139 HB -0.28 0.01 -0.04 -0.04 4.32 3.97 3glgE1 THR 139 HG23 -0.27 -0.04 -0.08 -0.04 1.22 0.80 3glgE1 TRP 140 H -0.11 0.77 0.37 -0.55 7.97 8.45 3glgE1 TRP 140 HA 0.00 0.22 1.04 -0.75 4.62 5.13 3glgE1 TRP 140 HB2 0.01 -0.07 0.05 -0.04 3.23 3.17 3glgE1 TRP 140 HB3 -0.11 0.00 -0.08 -0.04 3.23 3.01 3glgE1 TRP 140 HD1 0.00 0.01 -0.25 -0.04 7.22 6.94 3glgE1 TRP 140 HE1 0.03 -0.00 -0.11 -0.04 10.20 10.08 3glgE1 TRP 140 HE3 0.19 0.02 -0.18 -0.04 7.59 7.59 3glgE1 TRP 140 HZ2 0.09 -0.02 -0.02 -0.04 7.44 7.45 3glgE1 TRP 140 HZ3 0.19 0.06 -0.41 -0.04 7.13 6.93 3glgE1 TRP 140 HH2 0.12 0.09 -0.06 -0.04 7.19 7.30 3glgE1 PHE 141 H 0.26 0.83 0.31 -0.55 8.34 9.19 3glgE1 PHE 141 HA 0.10 0.13 1.10 -0.75 4.62 5.19 3glgE1 PHE 141 HB2 0.06 0.31 0.40 -0.04 3.15 3.88 3glgE1 PHE 141 HB3 0.06 -0.11 -0.02 -0.04 3.06 2.95 3glgE1 PHE 141 HD2 0.12 0.10 -0.01 -0.04 7.28 7.44 3glgE1 PHE 141 HE2 0.05 0.02 -0.14 -0.04 7.38 7.27 3glgE1 PHE 141 HZ 0.02 -0.03 -0.16 -0.04 7.32 7.11 3glgE1 PHE 142 H 0.43 0.66 0.37 -0.55 8.34 9.24 3glgE1 PHE 142 HA 0.27 0.31 0.90 -0.75 4.62 5.35 3glgE1 PHE 142 HB2 0.31 -0.06 0.14 -0.04 3.15 3.51 3glgE1 PHE 142 HB3 0.24 -0.05 -0.00 -0.04 3.06 3.21 3glgE1 PHE 142 HD2 0.17 -0.00 -0.12 -0.04 7.28 7.30 3glgE1 PHE 142 HE2 0.13 -0.00 -0.16 -0.04 7.38 7.30 3glgE1 PHE 142 HZ -0.37 0.02 -0.18 -0.04 7.32 6.76 3glgE1 LEU 143 H 0.27 0.71 0.37 -0.55 8.37 9.18 3glgE1 LEU 143 HA 0.27 0.31 0.99 -0.75 4.35 5.17 3glgE1 LEU 143 HB2 0.12 -0.04 0.01 -0.04 1.64 1.69 3glgE1 LEU 143 HB3 0.11 -0.10 0.10 -0.04 1.64 1.71 3glgE1 LEU 143 HG 0.17 -0.01 -0.29 -0.04 1.64 1.47 3glgE1 LEU 143 HD13 0.01 0.01 -0.17 -0.04 0.93 0.73 3glgE1 LEU 143 HD23 0.08 -0.00 -0.11 -0.04 0.89 0.81 3glgE1 ALA 144 H 0.17 0.24 0.17 -0.55 8.40 8.43 3glgE1 ALA 144 HA 0.17 0.48 0.93 -0.75 4.34 5.17 3glgE1 ALA 144 HB3 0.23 0.05 0.05 -0.04 1.41 1.69 3glgE1 THR 145 H 0.11 0.52 0.31 -0.55 8.28 8.67 3glgE1 THR 145 HA 0.07 0.11 0.50 -0.75 4.39 4.31 3glgE1 THR 145 HB 0.04 -0.15 -0.34 -0.04 4.32 3.83 3glgE1 THR 145 HG23 0.03 0.00 0.00 -0.04 1.22 1.22 3glgE1 ARG 146 H 0.04 0.07 0.12 -0.55 8.46 8.15 3glgE1 ARG 146 HA 0.05 0.28 0.66 -0.75 4.34 4.58 3glgE1 ARG 146 HB2 0.03 -0.02 0.15 -0.04 1.90 2.02 3glgE1 ARG 146 HB3 0.02 -0.02 0.13 -0.04 1.80 1.88 3glgE1 ARG 146 HG2 0.02 0.02 0.00 -0.04 1.67 1.67 3glgE1 ARG 146 HG3 0.03 -0.01 0.10 -0.04 1.67 1.75 3glgE1 ARG 146 HD2 -0.00 -0.01 0.02 -0.04 3.22 3.19 3glgE1 ARG 146 HD3 -0.00 -0.01 -0.05 -0.04 3.22 3.12 3glgE1 GLU 147 H 0.02 0.06 -0.01 -0.55 8.60 8.12 3glgE1 GLU 147 HA -0.01 0.34 0.88 -0.75 4.29 4.75 3glgE1 GLU 147 HB2 -0.00 0.08 -0.15 -0.04 2.09 1.97 3glgE1 GLU 147 HB3 0.00 -0.00 0.13 -0.04 1.99 2.08 3glgE1 GLU 147 HG2 -0.00 0.09 -0.05 -0.04 2.34 2.33 3glgE1 GLU 147 HG3 -0.01 -0.28 -0.14 -0.04 2.34 1.87 3glgE1 PRO 148 HA 0.01 0.06 0.34 -0.51 4.44 4.34 3glgE1 PRO 148 HB2 -0.02 0.04 -0.06 -0.04 2.28 2.20 3glgE1 PRO 148 HB3 -0.00 0.08 -0.02 -0.04 2.02 2.04 3glgE1 PRO 148 HG2 -0.02 0.08 -0.04 -0.04 2.03 2.00 3glgE1 PRO 148 HG3 0.02 0.04 -0.14 -0.04 2.03 1.91 3glgE1 PRO 148 HD2 -0.04 0.14 0.14 -0.04 3.68 3.88 3glgE1 PRO 148 HD3 0.00 0.19 -0.30 -0.04 3.65 3.50 3glgE1 GLU 149 H -0.01 0.08 -0.38 -0.55 8.60 7.74 3glgE1 GLU 149 HA -0.01 0.16 0.34 -0.75 4.29 4.03 3glgE1 GLU 149 HB2 -0.01 -0.02 0.02 -0.04 2.09 2.03 3glgE1 GLU 149 HB3 -0.01 0.03 0.07 -0.04 1.99 2.04 3glgE1 GLU 149 HG2 -0.02 -0.02 -0.09 -0.04 2.34 2.16 3glgE1 GLU 149 HG3 -0.02 0.01 -0.02 -0.04 2.34 2.27 3glgE1 ARG 150 H -0.00 0.28 -0.44 -0.55 8.46 7.75 3glgE1 ARG 150 HA 0.00 0.11 0.56 -0.75 4.34 4.26 3glgE1 ARG 150 HB2 0.00 -0.05 0.08 -0.04 1.90 1.89 3glgE1 ARG 150 HB3 0.00 0.00 0.01 -0.04 1.80 1.77 3glgE1 ARG 150 HG2 0.00 0.02 0.10 -0.04 1.67 1.75 3glgE1 ARG 150 HG3 0.00 0.01 0.03 -0.04 1.67 1.67 3glgE1 ARG 150 HD2 0.00 -0.04 0.00 -0.04 3.22 3.14 3glgE1 ARG 150 HD3 0.00 -0.03 0.03 -0.04 3.22 3.18 3glgE1 LEU 151 H -0.00 0.37 -0.53 -0.55 8.37 7.67 3glgE1 LEU 151 HA 0.00 0.09 0.40 -0.75 4.35 4.09 3glgE1 LEU 151 HB2 0.00 0.20 0.04 -0.04 1.64 1.84 3glgE1 LEU 151 HB3 0.00 0.02 -0.19 -0.04 1.64 1.43 3glgE1 LEU 151 HG 0.00 -0.01 -0.13 -0.04 1.64 1.46 3glgE1 LEU 151 HD13 0.01 -0.04 -0.26 -0.04 0.93 0.61 3glgE1 LEU 151 HD23 0.02 -0.02 -0.17 -0.04 0.89 0.67 3glgE1 LEU 152 H -0.00 0.14 0.10 -0.55 8.37 8.07 3glgE1 LEU 152 HA -0.00 0.04 0.39 -0.75 4.35 4.02 3glgE1 LEU 152 HB2 -0.01 0.08 0.14 -0.04 1.64 1.82 3glgE1 LEU 152 HB3 -0.01 -0.03 0.11 -0.04 1.64 1.68 3glgE1 LEU 152 HG -0.01 -0.26 -0.12 -0.04 1.64 1.20 3glgE1 LEU 152 HD13 -0.00 0.01 0.08 -0.04 0.93 0.97 3glgE1 LEU 152 HD23 -0.01 0.03 -0.04 -0.04 0.89 0.83 3glgE1 ALA 153 H -0.00 0.16 0.20 -0.55 8.40 8.21 3glgE1 ALA 153 HA -0.00 0.14 0.44 -0.75 4.34 4.16 3glgE1 ALA 153 HB3 -0.00 0.01 0.08 -0.04 1.41 1.46 3glgE1 THR 154 H -0.00 0.05 -0.25 -0.55 8.28 7.52 3glgE1 THR 154 HA -0.00 0.16 0.51 -0.75 4.39 4.31 3glgE1 THR 154 HB -0.00 0.08 -0.00 -0.04 4.32 4.36 3glgE1 THR 154 HG23 -0.00 -0.00 -0.03 -0.04 1.22 1.15 3glgE1 LEU 155 H -0.01 0.20 -0.23 -0.55 8.37 7.79 3glgE1 LEU 155 HA -0.02 0.12 0.35 -0.75 4.35 4.05 3glgE1 LEU 155 HB2 -0.02 -0.05 -0.02 -0.04 1.64 1.51 3glgE1 LEU 155 HB3 -0.01 0.13 0.07 -0.04 1.64 1.79 3glgE1 LEU 155 HG -0.01 0.01 -0.24 -0.04 1.64 1.36 3glgE1 LEU 155 HD13 -0.04 0.01 -0.08 -0.04 0.93 0.78 3glgE1 LEU 155 HD23 -0.02 -0.02 -0.03 -0.04 0.89 0.78 3glgE1 ARG 156 H -0.00 0.31 -0.40 -0.55 8.46 7.81 3glgE1 ARG 156 HA -0.00 0.03 0.11 -0.75 4.34 3.72 3glgE1 ARG 156 HB2 -0.00 0.08 -0.06 -0.04 1.90 1.88 3glgE1 ARG 156 HB3 -0.00 0.03 -0.08 -0.04 1.80 1.70 3glgE1 ARG 156 HG2 -0.00 -0.02 -0.04 -0.04 1.67 1.56 3glgE1 ARG 156 HG3 -0.00 -0.00 -0.12 -0.04 1.67 1.50 3glgE1 ARG 156 HD2 -0.01 0.00 -0.11 -0.04 3.22 3.06 3glgE1 ARG 156 HD3 -0.01 -0.11 -0.13 -0.04 3.22 2.94 3glgE1 SER 157 H 0.00 0.18 -0.39 -0.55 8.46 7.71 3glgE1 SER 157 HA 0.01 0.16 0.40 -0.75 4.49 4.30 3glgE1 SER 157 HB2 0.02 -0.01 0.14 -0.04 3.95 4.05 3glgE1 SER 157 HB3 0.01 -0.04 0.06 -0.04 3.93 3.91 3glgE1 ARG 158 H 0.01 0.26 -0.58 -0.55 8.46 7.60 3glgE1 ARG 158 HA 0.07 0.12 0.73 -0.75 4.34 4.50 3glgE1 ARG 158 HB2 0.00 0.03 -0.03 -0.04 1.90 1.86 3glgE1 ARG 158 HB3 0.06 0.10 -0.07 -0.04 1.80 1.85 3glgE1 ARG 158 HG2 0.04 -0.02 -0.02 -0.04 1.67 1.63 3glgE1 ARG 158 HG3 0.02 -0.06 -0.16 -0.04 1.67 1.43 3glgE1 ARG 158 HD2 -0.01 0.04 -0.03 -0.04 3.22 3.18 3glgE1 ARG 158 HD3 -0.01 0.01 -0.08 -0.04 3.22 3.10 3glgE1 CYS 159 H -0.00 0.21 -0.22 -0.55 8.50 7.94 3glgE1 CYS 159 HA -0.05 0.34 0.92 -0.75 4.58 5.03 3glgE1 CYS 159 HB2 -0.02 -0.01 -0.05 -0.04 2.97 2.85 3glgE1 CYS 159 HB3 -0.04 -0.04 0.01 -0.04 2.97 2.86 3glgE1 ARG 160 H -0.39 0.57 0.37 -0.55 8.46 8.46 3glgE1 ARG 160 HA -0.19 0.11 0.83 -0.75 4.34 4.34 3glgE1 ARG 160 HB2 -0.50 0.03 0.09 -0.04 1.90 1.48 3glgE1 ARG 160 HB3 -0.89 0.02 0.10 -0.04 1.80 0.98 3glgE1 ARG 160 HG2 -0.11 -0.08 -0.16 -0.04 1.67 1.28 3glgE1 ARG 160 HG3 -0.07 0.12 -0.42 -0.04 1.67 1.25 3glgE1 ARG 160 HD2 -0.03 0.01 0.01 -0.04 3.22 3.16 3glgE1 ARG 160 HD3 -0.09 0.01 0.01 -0.04 3.22 3.11 3glgE1 LEU 161 H -0.04 0.14 0.13 -0.55 8.37 8.05 3glgE1 LEU 161 HA 0.03 0.36 0.90 -0.75 4.35 4.89 3glgE1 LEU 161 HB2 -0.01 0.04 0.03 -0.04 1.64 1.66 3glgE1 LEU 161 HB3 -0.00 -0.04 0.09 -0.04 1.64 1.65 3glgE1 LEU 161 HG 0.03 -0.07 -0.19 -0.04 1.64 1.37 3glgE1 LEU 161 HD13 0.03 0.09 -0.02 -0.04 0.93 1.00 3glgE1 LEU 161 HD23 -0.03 -0.02 -0.06 -0.04 0.89 0.74 3glgE1 HIS 162 H 0.16 0.62 0.36 -0.55 8.41 9.01 3glgE1 HIS 162 HA 0.06 0.19 0.71 -0.75 4.63 4.84 3glgE1 HIS 162 HB2 0.05 0.07 -0.02 -0.04 3.26 3.32 3glgE1 HIS 162 HB3 0.10 -0.05 0.05 -0.04 3.20 3.25 3glgE1 HIS 162 HD2 0.07 -0.11 -0.48 -0.04 6.97 6.41 3glgE1 HIS 162 HE1 0.00 -0.01 0.03 -0.04 7.75 7.73 3glgE1 TYR 163 H -0.35 0.20 0.10 -0.55 8.29 7.69 3glgE1 TYR 163 HA -0.03 0.19 0.91 -0.75 4.56 4.88 3glgE1 TYR 163 HB2 -0.08 0.00 0.01 -0.04 3.06 2.96 3glgE1 TYR 163 HB3 -0.15 -0.01 0.14 -0.04 2.98 2.92 3glgE1 TYR 163 HD2 -0.03 0.10 0.06 -0.04 7.15 7.23 3glgE1 TYR 163 HE2 -0.02 0.00 -0.07 -0.04 6.85 6.72 3glgE1 LEU 164 H 0.22 0.70 0.28 -0.55 8.37 9.02 3glgE1 LEU 164 HA -0.05 0.13 0.76 -0.75 4.35 4.43 3glgE1 LEU 164 HB2 0.16 -0.02 -0.01 -0.04 1.64 1.73 3glgE1 LEU 164 HB3 0.08 -0.09 0.25 -0.04 1.64 1.84 3glgE1 LEU 164 HG 0.08 0.10 -0.11 -0.04 1.64 1.67 3glgE1 LEU 164 HD13 0.14 0.01 -0.02 -0.04 0.93 1.02 3glgE1 LEU 164 HD23 0.13 -0.04 -0.19 -0.04 0.89 0.75 3glgE1 ALA 165 H -0.55 0.24 -0.02 -0.55 8.40 7.52 3glgE1 ALA 165 HA -0.68 0.08 0.44 -0.75 4.34 3.43 3glgE1 ALA 165 HB3 -0.47 0.00 0.06 -0.04 1.41 0.96 3glgE1 PRO 166 HA -0.44 0.08 0.61 -0.51 4.44 4.18 3glgE1 PRO 166 HB2 -0.21 0.13 -0.10 -0.04 2.28 2.06 3glgE1 PRO 166 HB3 -0.29 -0.03 -0.04 -0.04 2.02 1.62 3glgE1 PRO 166 HG2 -0.07 0.08 0.09 -0.04 2.03 2.09 3glgE1 PRO 166 HG3 -0.09 -0.01 0.09 -0.04 2.03 1.98 3glgE1 PRO 166 HD2 -0.10 0.05 0.20 -0.04 3.68 3.80 3glgE1 PRO 166 HD3 -0.09 0.11 0.29 -0.04 3.65 3.93 3glgE1 PRO 167 HA -0.18 0.07 0.35 -0.51 4.44 4.17 3glgE1 PRO 167 HB2 -0.01 0.03 -0.04 -0.04 2.28 2.21 3glgE1 PRO 167 HB3 -0.08 -0.02 0.12 -0.04 2.02 1.99 3glgE1 PRO 167 HG2 -0.92 -0.02 0.09 -0.04 2.03 1.14 3glgE1 PRO 167 HG3 -0.85 0.01 0.13 -0.04 2.03 1.28 3glgE1 PRO 167 HD2 -0.60 0.19 0.17 -0.04 3.68 3.40 3glgE1 PRO 167 HD3 -1.04 0.13 0.28 -0.04 3.65 2.97 3glgE1 PRO 168 HA -0.03 0.08 0.55 -0.51 4.44 4.52 3glgE1 PRO 168 HB2 0.04 -0.18 0.08 -0.04 2.28 2.18 3glgE1 PRO 168 HB3 0.00 0.02 0.12 -0.04 2.02 2.12 3glgE1 PRO 168 HG2 -0.07 0.04 0.12 -0.04 2.03 2.08 3glgE1 PRO 168 HG3 -0.04 0.10 0.13 -0.04 2.03 2.17 3glgE1 PRO 168 HD2 -0.13 0.08 0.25 -0.04 3.68 3.84 3glgE1 PRO 168 HD3 -0.09 0.26 0.11 -0.04 3.65 3.90 3glgE1 GLU 169 H -0.01 0.19 0.18 -0.55 8.60 8.41 3glgE1 GLU 169 HA -0.02 0.17 0.36 -0.75 4.29 4.05 3glgE1 GLU 169 HB2 -0.00 0.06 0.17 -0.04 2.09 2.28 3glgE1 GLU 169 HB3 0.01 -0.04 0.05 -0.04 1.99 1.98 3glgE1 GLU 169 HG2 0.01 -0.06 -0.05 -0.04 2.34 2.21 3glgE1 GLU 169 HG3 0.00 0.06 0.01 -0.04 2.34 2.38 3glgE1 GLN 170 H 0.03 0.10 -0.15 -0.55 8.47 7.90 3glgE1 GLN 170 HA 0.03 0.08 0.33 -0.75 4.36 4.05 3glgE1 GLN 170 HB2 0.03 0.03 0.09 -0.04 2.15 2.26 3glgE1 GLN 170 HB3 0.06 -0.01 0.03 -0.04 2.02 2.07 3glgE1 GLN 170 HG2 0.04 0.05 -0.02 -0.04 2.40 2.42 3glgE1 GLN 170 HG3 0.06 0.01 -0.19 -0.04 2.39 2.23 3glgE1 GLN 170 HE21 0.01 0.01 -0.01 -0.04 6.97 6.95 3glgE1 GLN 170 HE22 0.02 0.03 -0.01 -0.04 7.69 7.70 3glgE1 TYR 171 H 0.16 0.13 -0.25 -0.55 8.29 7.79 3glgE1 TYR 171 HA 0.05 0.04 0.41 -0.75 4.56 4.31 3glgE1 TYR 171 HB2 0.00 -0.04 0.10 -0.04 3.06 3.08 3glgE1 TYR 171 HB3 -0.05 0.22 0.03 -0.04 2.98 3.15 3glgE1 TYR 171 HD2 -0.01 0.02 -0.02 -0.04 7.15 7.10 3glgE1 TYR 171 HE2 0.18 -0.01 -0.01 -0.04 6.85 6.97 3glgE1 ALA 172 H 0.05 0.48 -0.33 -0.55 8.40 8.07 3glgE1 ALA 172 HA -0.02 -0.00 0.30 -0.75 4.34 3.86 3glgE1 ALA 172 HB3 -0.08 0.04 0.07 -0.04 1.41 1.40 3glgE1 VAL 173 H 0.01 0.44 -0.29 -0.55 8.24 7.86 3glgE1 VAL 173 HA 0.00 -0.01 0.46 -0.75 4.13 3.83 3glgE1 VAL 173 HB 0.00 0.12 0.15 -0.04 2.12 2.35 3glgE1 VAL 173 HG13 -0.02 -0.03 -0.04 -0.04 0.97 0.84 3glgE1 VAL 173 HG23 0.01 0.09 -0.03 -0.04 0.95 0.99 3glgE1 THR 174 H -0.01 0.49 -0.04 -0.55 8.28 8.17 3glgE1 THR 174 HA -0.03 0.03 0.54 -0.75 4.39 4.17 3glgE1 THR 174 HB -0.03 0.08 0.14 -0.04 4.32 4.46 3glgE1 THR 174 HG23 0.01 -0.01 -0.00 -0.04 1.22 1.18 3glgE1 TRP 175 H -0.00 0.72 -0.02 -0.55 7.97 8.12 3glgE1 TRP 175 HA -0.13 0.04 0.49 -0.75 4.62 4.26 3glgE1 TRP 175 HB2 -0.28 0.01 0.11 -0.04 3.23 3.02 3glgE1 TRP 175 HB3 -0.13 0.08 0.18 -0.04 3.23 3.32 3glgE1 TRP 175 HD1 0.08 -0.08 -0.02 -0.04 7.22 7.16 3glgE1 TRP 175 HE1 0.24 -0.05 -0.07 -0.04 10.20 10.28 3glgE1 TRP 175 HE3 -0.02 0.02 0.05 -0.04 7.59 7.60 3glgE1 TRP 175 HZ2 0.21 0.00 -0.02 -0.04 7.44 7.59 3glgE1 TRP 175 HZ3 0.04 0.02 0.03 -0.04 7.13 7.18 3glgE1 TRP 175 HH2 0.04 0.04 0.03 -0.04 7.19 7.26 3glgE1 LEU 176 H 0.03 0.47 -0.25 -0.55 8.37 8.08 3glgE1 LEU 176 HA -0.34 -0.03 0.41 -0.75 4.35 3.64 3glgE1 LEU 176 HB2 -0.05 0.15 0.26 -0.04 1.64 1.96 3glgE1 LEU 176 HB3 -0.16 -0.06 -0.03 -0.04 1.64 1.35 3glgE1 LEU 176 HG 0.14 0.13 0.12 -0.04 1.64 1.99 3glgE1 LEU 176 HD13 0.08 -0.04 -0.07 -0.04 0.93 0.86 3glgE1 LEU 176 HD23 -0.01 -0.07 0.05 -0.04 0.89 0.82 3glgE1 SER 177 H -0.13 0.63 0.02 -0.55 8.46 8.44 3glgE1 SER 177 HA -0.19 0.02 0.47 -0.75 4.49 4.04 3glgE1 SER 177 HB2 -0.10 -0.03 0.11 -0.04 3.95 3.89 3glgE1 SER 177 HB3 -0.10 -0.10 0.16 -0.04 3.93 3.84 3glgE1 ARG 178 H -0.30 0.28 -0.86 -0.55 8.46 7.02 3glgE1 ARG 178 HA -0.18 0.13 0.76 -0.75 4.34 4.31 3glgE1 ARG 178 HB2 -0.16 -0.02 0.00 -0.04 1.90 1.68 3glgE1 ARG 178 HB3 -0.37 0.14 0.09 -0.04 1.80 1.62 3glgE1 ARG 178 HG2 -0.20 -0.01 0.11 -0.04 1.67 1.53 3glgE1 ARG 178 HG3 -0.12 -0.04 0.08 -0.04 1.67 1.56 3glgE1 ARG 178 HD2 -0.05 -0.04 0.01 -0.04 3.22 3.10 3glgE1 ARG 178 HD3 -0.13 0.02 0.02 -0.04 3.22 3.10 3glgE1 GLU 179 H -0.36 0.62 0.10 -0.55 8.60 8.41 3glgE1 GLU 179 HA -0.26 0.15 0.87 -0.75 4.29 4.30 3glgE1 GLU 179 HB2 -0.32 -0.06 0.12 -0.04 2.09 1.80 3glgE1 GLU 179 HB3 -0.22 -0.06 0.07 -0.04 1.99 1.75 3glgE1 GLU 179 HG2 -0.94 0.13 -0.05 -0.04 2.34 1.44 3glgE1 GLU 179 HG3 -0.92 -0.13 -0.02 -0.04 2.34 1.23 3glgE1 VAL 180 H -0.29 0.52 0.22 -0.55 8.24 8.14 3glgE1 VAL 180 HA -0.21 0.23 0.85 -0.75 4.13 4.24 3glgE1 VAL 180 HB -0.62 -0.09 -0.20 -0.04 2.12 1.17 3glgE1 VAL 180 HG13 -0.30 -0.01 0.01 -0.04 0.97 0.63 3glgE1 VAL 180 HG23 -0.33 0.02 -0.16 -0.04 0.95 0.44 3glgE1 THR 181 H -0.21 0.19 0.05 -0.55 8.28 7.77 3glgE1 THR 181 HA -0.19 0.22 0.98 -0.75 4.39 4.65 3glgE1 THR 181 HB -0.11 -0.02 0.05 -0.04 4.32 4.20 3glgE1 THR 181 HG23 -0.11 0.02 -0.13 -0.04 1.22 0.96 3glgE1 MET 182 H -0.23 0.38 0.12 -0.55 8.47 8.19 3glgE1 MET 182 HA -0.18 0.17 0.77 -0.75 4.52 4.52 3glgE1 MET 182 HB2 -0.49 0.01 -0.11 -0.04 2.15 1.51 3glgE1 MET 182 HB3 -0.30 -0.13 0.08 -0.04 2.03 1.64 3glgE1 MET 182 HG2 -0.72 -0.05 -0.47 -0.04 2.63 1.35 3glgE1 MET 182 HG3 -1.44 -0.03 -0.13 -0.04 2.56 0.92 3glgE1 MET 182 HE3 -0.21 -0.02 -0.02 -0.04 2.10 1.81 3glgE1 SER 183 H -0.06 0.11 0.14 -0.55 8.46 8.10 3glgE1 SER 183 HA -0.05 0.19 0.54 -0.75 4.49 4.42 3glgE1 SER 183 HB2 -0.00 -0.00 0.15 -0.04 3.95 4.05 3glgE1 SER 183 HB3 -0.00 0.15 0.14 -0.04 3.93 4.18 3glgE1 GLN 184 H -0.03 0.22 0.19 -0.55 8.47 8.29 3glgE1 GLN 184 HA -0.05 0.13 0.58 -0.75 4.36 4.26 3glgE1 GLN 184 HB2 -0.01 -0.02 0.16 -0.04 2.15 2.23 3glgE1 GLN 184 HB3 -0.01 0.04 -0.00 -0.04 2.02 2.01 3glgE1 GLN 184 HG2 -0.04 0.03 0.10 -0.04 2.40 2.44 3glgE1 GLN 184 HG3 -0.02 0.05 0.07 -0.04 2.39 2.44 3glgE1 GLN 184 HE21 -0.04 0.03 -0.02 -0.04 6.97 6.89 3glgE1 GLN 184 HE22 -0.05 0.05 0.03 -0.04 7.69 7.67 3glgE1 ASP 185 H 0.01 0.11 -0.14 -0.55 8.40 7.82 3glgE1 ASP 185 HA 0.03 0.11 0.26 -0.75 4.63 4.27 3glgE1 ASP 185 HB2 0.03 -0.06 0.05 -0.04 2.71 2.69 3glgE1 ASP 185 HB3 0.05 0.03 -0.18 -0.04 2.70 2.56 3glgE1 ALA 186 H 0.04 0.00 -0.49 -0.55 8.40 7.41 3glgE1 ALA 186 HA 0.24 0.03 0.32 -0.75 4.34 4.17 3glgE1 ALA 186 HB3 0.00 0.05 0.07 -0.04 1.41 1.50 3glgE1 LEU 187 H -0.05 0.46 -0.08 -0.55 8.37 8.15 3glgE1 LEU 187 HA 0.09 -0.02 0.29 -0.75 4.35 3.96 3glgE1 LEU 187 HB2 -0.03 0.05 0.16 -0.04 1.64 1.78 3glgE1 LEU 187 HB3 -0.04 -0.01 0.02 -0.04 1.64 1.57 3glgE1 LEU 187 HG -0.16 0.23 -0.03 -0.04 1.64 1.64 3glgE1 LEU 187 HD13 -0.14 0.01 -0.01 -0.04 0.93 0.76 3glgE1 LEU 187 HD23 -0.42 -0.03 -0.11 -0.04 0.89 0.29 3glgE1 LEU 188 H 0.02 0.46 -0.15 -0.55 8.37 8.15 3glgE1 LEU 188 HA 0.04 -0.03 0.31 -0.75 4.35 3.92 3glgE1 LEU 188 HB2 0.02 0.06 0.08 -0.04 1.64 1.76 3glgE1 LEU 188 HB3 0.04 0.14 0.03 -0.04 1.64 1.82 3glgE1 LEU 188 HG 0.03 0.03 -0.07 -0.04 1.64 1.59 3glgE1 LEU 188 HD13 0.02 -0.02 0.03 -0.04 0.93 0.93 3glgE1 LEU 188 HD23 0.02 -0.01 -0.04 -0.04 0.89 0.81 3glgE1 ALA 189 H 0.12 0.51 -0.25 -0.55 8.40 8.23 3glgE1 ALA 189 HA 0.08 0.21 0.68 -0.75 4.34 4.55 3glgE1 ALA 189 HB3 0.15 -0.06 0.14 -0.04 1.41 1.61 3glgE1 ALA 190 H 0.20 0.59 0.10 -0.55 8.40 8.75 3glgE1 ALA 190 HA 0.19 -0.01 0.36 -0.75 4.34 4.13 3glgE1 ALA 190 HB3 -0.10 0.01 0.04 -0.04 1.41 1.32 3glgE1 LEU 191 H 0.10 0.83 -0.23 -0.55 8.37 8.52 3glgE1 LEU 191 HA 0.06 -0.04 0.19 -0.75 4.35 3.81 3glgE1 LEU 191 HB2 0.05 -0.06 -0.12 -0.04 1.64 1.47 3glgE1 LEU 191 HB3 0.04 0.15 -0.04 -0.04 1.64 1.76 3glgE1 LEU 191 HG 0.00 -0.07 -0.21 -0.04 1.64 1.32 3glgE1 LEU 191 HD13 -0.01 0.05 -0.24 -0.04 0.93 0.69 3glgE1 LEU 191 HD23 0.00 0.00 -0.09 -0.04 0.89 0.77 3glgE1 ARG 192 H 0.07 0.43 -0.40 -0.55 8.46 8.00 3glgE1 ARG 192 HA 0.05 0.01 0.28 -0.75 4.34 3.92 3glgE1 ARG 192 HB2 0.05 0.26 0.30 -0.04 1.90 2.47 3glgE1 ARG 192 HB3 0.05 -0.08 0.01 -0.04 1.80 1.75 3glgE1 ARG 192 HG2 0.03 -0.04 0.02 -0.04 1.67 1.65 3glgE1 ARG 192 HG3 0.03 -0.07 -0.03 -0.04 1.67 1.56 3glgE1 ARG 192 HD2 0.03 0.05 0.05 -0.04 3.22 3.31 3glgE1 ARG 192 HD3 0.03 0.09 0.12 -0.04 3.22 3.42 3glgE1 LEU 193 H 0.10 0.69 -0.06 -0.55 8.37 8.54 3glgE1 LEU 193 HA 0.17 0.02 0.54 -0.75 4.35 4.32 3glgE1 LEU 193 HB2 0.13 0.19 0.16 -0.04 1.64 2.07 3glgE1 LEU 193 HB3 0.24 -0.05 -0.01 -0.04 1.64 1.77 3glgE1 LEU 193 HG 0.03 0.08 -0.07 -0.04 1.64 1.63 3glgE1 LEU 193 HD13 -0.18 -0.05 -0.13 -0.04 0.93 0.54 3glgE1 LEU 193 HD23 0.00 -0.02 -0.01 -0.04 0.89 0.82 3glgE1 SER 194 H 0.11 0.33 -0.52 -0.55 8.46 7.84 3glgE1 SER 194 HA 0.11 0.12 0.36 -0.75 4.49 4.33 3glgE1 SER 194 HB2 0.07 0.07 0.02 -0.04 3.95 4.06 3glgE1 SER 194 HB3 0.07 -0.07 0.04 -0.04 3.93 3.92 3glgE1 ALA 195 H 0.09 0.32 -0.67 -0.55 8.40 7.60 3glgE1 ALA 195 HA 0.05 0.08 0.27 -0.75 4.34 3.99 3glgE1 ALA 195 HB3 0.03 0.03 0.05 -0.04 1.41 1.48 3glgE1 GLY 196 H 0.02 0.37 -0.51 -0.55 8.43 7.76 3glgE1 GLY 196 HA2 -0.03 -0.07 0.21 -0.51 4.01 3.61 3glgE1 GLY 196 HA3 -0.04 0.21 0.83 -0.51 4.01 4.50 3glgE1 SER 197 H -0.03 0.43 -0.20 -0.55 8.46 8.11 3glgE1 SER 197 HA -0.22 0.12 0.39 -0.75 4.49 4.02 3glgE1 SER 197 HB2 -0.04 -0.03 0.05 -0.04 3.95 3.89 3glgE1 SER 197 HB3 -0.01 0.14 0.20 -0.04 3.93 4.22 3glgE1 PRO 198 HA 0.03 -0.02 0.40 -0.51 4.44 4.34 3glgE1 PRO 198 HB2 -0.06 0.02 0.01 -0.04 2.28 2.21 3glgE1 PRO 198 HB3 0.17 0.04 0.18 -0.04 2.02 2.36 3glgE1 PRO 198 HG2 -1.28 -0.00 0.13 -0.04 2.03 0.84 3glgE1 PRO 198 HG3 -0.36 0.09 0.17 -0.04 2.03 1.88 3glgE1 PRO 198 HD2 -0.91 0.07 0.25 -0.04 3.68 3.05 3glgE1 PRO 198 HD3 -0.56 0.32 0.37 -0.04 3.65 3.74 3glgE1 GLY 199 H 0.21 -0.07 0.20 -0.55 8.43 8.21 3glgE1 GLY 199 HA2 0.24 0.01 0.40 -0.51 4.01 4.15 3glgE1 GLY 199 HA3 0.06 0.30 0.34 -0.51 4.01 4.20 3glgE1 ALA 200 H 0.03 0.68 -0.27 -0.55 8.40 8.30 3glgE1 ALA 200 HA 0.11 0.01 0.58 -0.75 4.34 4.28 3glgE1 ALA 200 HB3 0.06 0.10 -0.01 -0.04 1.41 1.52 3glgE1 ALA 201 H 0.07 0.61 -0.16 -0.55 8.40 8.38 3glgE1 ALA 201 HA 0.09 0.16 0.31 -0.75 4.34 4.15 3glgE1 ALA 201 HB3 0.11 -0.06 -0.05 -0.04 1.41 1.37 3glgE1 LEU 202 H 0.17 -0.23 0.00 -0.55 8.37 7.77 3glgE1 LEU 202 HA 0.29 0.05 0.33 -0.75 4.35 4.26 3glgE1 LEU 202 HB2 0.22 -0.19 0.20 -0.04 1.64 1.83 3glgE1 LEU 202 HB3 0.21 0.18 0.09 -0.04 1.64 2.08 3glgE1 LEU 202 HG 0.03 -0.00 0.02 -0.04 1.64 1.64 3glgE1 LEU 202 HD13 0.16 0.02 -0.01 -0.04 0.93 1.06 3glgE1 LEU 202 HD23 0.11 0.02 -0.13 -0.04 0.89 0.85 3glgE1 ALA 203 H 0.15 0.38 -0.77 -0.55 8.40 7.61 3glgE1 ALA 203 HA 0.14 0.02 0.38 -0.75 4.34 4.12 3glgE1 ALA 203 HB3 0.13 0.08 0.08 -0.04 1.41 1.66 3glgE1 LEU 204 H 0.07 0.59 -0.22 -0.55 8.37 8.27 3glgE1 LEU 204 HA 0.13 -0.04 0.48 -0.75 4.35 4.17 3glgE1 LEU 204 HB2 -0.28 0.20 0.11 -0.04 1.64 1.63 3glgE1 LEU 204 HB3 0.02 -0.12 -0.06 -0.04 1.64 1.44 3glgE1 LEU 204 HG 0.15 0.13 0.07 -0.04 1.64 1.95 3glgE1 LEU 204 HD13 0.12 -0.02 0.03 -0.04 0.93 1.02 3glgE1 LEU 204 HD23 0.34 -0.03 -0.04 -0.04 0.89 1.12 3glgE1 PHE 205 H 0.03 0.36 -0.24 -0.55 8.34 7.93 3glgE1 PHE 205 HA -0.06 -0.01 0.49 -0.75 4.62 4.29 3glgE1 PHE 205 HB2 -0.11 0.17 0.04 -0.04 3.15 3.21 3glgE1 PHE 205 HB3 -0.18 0.01 0.05 -0.04 3.06 2.89 3glgE1 PHE 205 HD2 -0.44 0.05 -0.05 -0.04 7.28 6.80 3glgE1 PHE 205 HE2 -0.85 -0.05 -0.15 -0.04 7.38 6.29 3glgE1 PHE 205 HZ -0.62 -0.06 -0.31 -0.04 7.32 6.29 3glgE1 GLN 206 H 0.13 0.22 -0.44 -0.55 8.47 7.83 3glgE1 GLN 206 HA 0.09 0.12 0.47 -0.75 4.36 4.28 3glgE1 GLN 206 HB2 0.11 0.05 0.17 -0.04 2.15 2.44 3glgE1 GLN 206 HB3 0.08 -0.03 0.05 -0.04 2.02 2.09 3glgE1 GLN 206 HG2 0.09 -0.01 -0.11 -0.04 2.40 2.33 3glgE1 GLN 206 HG3 0.13 0.20 -0.00 -0.04 2.39 2.67 3glgE1 GLN 206 HE21 0.05 -0.01 -0.02 -0.04 6.97 6.95 3glgE1 GLN 206 HE22 0.04 0.03 -0.02 -0.04 7.69 7.69 3glgE1 GLY 207 H 0.12 0.22 -0.05 -0.55 8.43 8.17 3glgE1 GLY 207 HA2 0.09 0.13 0.17 -0.51 4.01 3.89 3glgE1 GLY 207 HA3 0.11 -0.08 0.45 -0.51 4.01 3.98 3glgE1 ASP 208 H 0.09 0.17 0.18 -0.55 8.40 8.29 3glgE1 ASP 208 HA 0.08 0.19 0.67 -0.75 4.63 4.82 3glgE1 ASP 208 HB2 0.07 -0.02 0.15 -0.04 2.71 2.87 3glgE1 ASP 208 HB3 0.05 -0.01 -0.01 -0.04 2.70 2.70 3glgE1 ASN 209 H 0.14 0.02 -0.29 -0.55 8.53 7.85 3glgE1 ASN 209 HA 0.22 0.05 0.12 -0.75 4.76 4.39 3glgE1 ASN 209 HB2 0.18 0.19 0.23 -0.04 2.88 3.44 3glgE1 ASN 209 HB3 0.32 0.02 0.01 -0.04 2.79 3.10 3glgE1 ASN 209 HD21 0.13 0.02 0.04 -0.04 7.03 7.18 3glgE1 ASN 209 HD22 0.15 0.16 0.08 -0.04 7.74 8.10 3glgE1 TRP 210 H 0.25 0.47 0.03 -0.55 7.97 8.18 3glgE1 TRP 210 HA -0.29 0.00 0.49 -0.75 4.62 4.07 3glgE1 TRP 210 HB2 -0.24 0.17 -0.03 -0.04 3.23 3.08 3glgE1 TRP 210 HB3 -0.05 0.08 -0.01 -0.04 3.23 3.20 3glgE1 TRP 210 HD1 -0.02 0.05 -0.15 -0.04 7.22 7.06 3glgE1 TRP 210 HE1 -0.01 -0.00 -0.04 -0.04 10.20 10.11 3glgE1 TRP 210 HE3 -0.58 0.02 -0.11 -0.04 7.59 6.89 3glgE1 TRP 210 HZ2 -0.04 -0.04 -0.04 -0.04 7.44 7.29 3glgE1 TRP 210 HZ3 -0.41 0.02 -0.05 -0.04 7.13 6.65 3glgE1 TRP 210 HH2 -0.13 -0.01 -0.03 -0.04 7.19 6.98 3glgE1 GLN 211 H 0.16 0.21 -0.40 -0.55 8.47 7.89 3glgE1 GLN 211 HA 0.04 0.02 0.42 -0.75 4.36 4.09 3glgE1 GLN 211 HB2 0.08 0.06 0.04 -0.04 2.15 2.29 3glgE1 GLN 211 HB3 0.04 0.03 -0.03 -0.04 2.02 2.01 3glgE1 GLN 211 HG2 0.04 -0.03 0.06 -0.04 2.40 2.44 3glgE1 GLN 211 HG3 0.09 -0.02 0.02 -0.04 2.39 2.45 3glgE1 GLN 211 HE21 0.03 0.01 0.01 -0.04 6.97 6.98 3glgE1 GLN 211 HE22 0.03 -0.02 0.01 -0.04 7.69 7.67 3glgE1 ALA 212 H 0.03 0.40 -0.54 -0.55 8.40 7.75 3glgE1 ALA 212 HA -0.00 0.08 0.49 -0.75 4.34 4.15 3glgE1 ALA 212 HB3 0.11 0.05 0.04 -0.04 1.41 1.57 3glgE1 ARG 213 H -0.31 0.39 0.08 -0.55 8.46 8.06 3glgE1 ARG 213 HA -0.23 0.08 0.70 -0.75 4.34 4.13 3glgE1 ARG 213 HB2 -1.91 0.03 0.11 -0.04 1.90 0.09 3glgE1 ARG 213 HB3 -1.21 0.10 0.17 -0.04 1.80 0.82 3glgE1 ARG 213 HG2 -0.95 -0.01 -0.19 -0.04 1.67 0.48 3glgE1 ARG 213 HG3 -0.67 -0.05 0.02 -0.04 1.67 0.92 3glgE1 ARG 213 HD2 -1.81 0.02 -0.01 -0.04 3.22 1.38 3glgE1 ARG 213 HD3 -1.58 0.00 -0.04 -0.04 3.22 1.56 3glgE1 GLU 214 H -0.39 0.51 -0.16 -0.55 8.60 8.01 3glgE1 GLU 214 HA -0.27 0.00 0.36 -0.75 4.29 3.63 3glgE1 GLU 214 HB2 -0.18 0.13 0.11 -0.04 2.09 2.11 3glgE1 GLU 214 HB3 -0.10 0.04 -0.08 -0.04 1.99 1.81 3glgE1 GLU 214 HG2 -0.10 -0.02 0.03 -0.04 2.34 2.22 3glgE1 GLU 214 HG3 -0.22 -0.05 0.01 -0.04 2.34 2.04 3glgE1 THR 215 H -0.10 0.18 -0.59 -0.55 8.28 7.22 3glgE1 THR 215 HA -0.06 0.06 0.53 -0.75 4.39 4.17 3glgE1 THR 215 HB -0.02 0.16 0.09 -0.04 4.32 4.50 3glgE1 THR 215 HG23 -0.04 -0.02 -0.03 -0.04 1.22 1.10 3glgE1 LEU 216 H -0.03 0.47 -0.07 -0.55 8.37 8.19 3glgE1 LEU 216 HA -0.02 0.03 0.52 -0.75 4.35 4.12 3glgE1 LEU 216 HB2 0.13 0.12 0.20 -0.04 1.64 2.05 3glgE1 LEU 216 HB3 0.00 0.05 0.12 -0.04 1.64 1.77 3glgE1 LEU 216 HG 0.01 -0.05 -0.21 -0.04 1.64 1.36 3glgE1 LEU 216 HD13 0.00 -0.00 -0.00 -0.04 0.93 0.89 3glgE1 LEU 216 HD23 0.19 -0.01 -0.03 -0.04 0.89 1.00 3glgE1 CYS 217 H -0.13 0.74 -0.06 -0.55 8.50 8.50 3glgE1 CYS 217 HA -0.10 0.01 0.45 -0.75 4.58 4.18 3glgE1 CYS 217 HB2 -0.16 0.10 0.10 -0.04 2.97 2.97 3glgE1 CYS 217 HB3 -0.12 -0.05 -0.03 -0.04 2.97 2.74 3glgE1 GLN 218 H -0.09 0.45 -0.30 -0.55 8.47 7.99 3glgE1 GLN 218 HA -0.06 0.01 0.38 -0.75 4.36 3.94 3glgE1 GLN 218 HB2 -0.06 0.16 0.24 -0.04 2.15 2.44 3glgE1 GLN 218 HB3 -0.06 0.03 0.03 -0.04 2.02 1.97 3glgE1 GLN 218 HG2 -0.05 -0.02 0.00 -0.04 2.40 2.30 3glgE1 GLN 218 HG3 -0.04 -0.02 -0.01 -0.04 2.39 2.28 3glgE1 GLN 218 HE21 -0.04 -0.04 -0.03 -0.04 6.97 6.82 3glgE1 GLN 218 HE22 -0.04 0.01 0.00 -0.04 7.69 7.62 3glgE1 ALA 219 H -0.07 0.59 -0.14 -0.55 8.40 8.24 3glgE1 ALA 219 HA -0.06 0.01 0.26 -0.75 4.34 3.80 3glgE1 ALA 219 HB3 -0.07 0.02 0.08 -0.04 1.41 1.40 3glgE1 LEU 220 H -0.10 0.58 -0.28 -0.55 8.37 8.03 3glgE1 LEU 220 HA -0.31 -0.03 0.38 -0.75 4.35 3.64 3glgE1 LEU 220 HB2 -0.12 0.21 0.11 -0.04 1.64 1.79 3glgE1 LEU 220 HB3 -0.13 0.04 0.04 -0.04 1.64 1.56 3glgE1 LEU 220 HG -0.23 -0.01 -0.10 -0.04 1.64 1.27 3glgE1 LEU 220 HD13 -0.44 -0.01 0.01 -0.04 0.93 0.45 3glgE1 LEU 220 HD23 -0.06 -0.01 -0.07 -0.04 0.89 0.71 3glgE1 ALA 221 H -0.09 0.57 -0.17 -0.55 8.40 8.16 3glgE1 ALA 221 HA -0.10 -0.02 0.41 -0.75 4.34 3.87 3glgE1 ALA 221 HB3 -0.05 0.03 0.12 -0.04 1.41 1.47 3glgE1 TYR 222 H -0.01 0.34 -0.80 -0.55 8.29 7.27 3glgE1 TYR 222 HA -0.11 0.14 0.81 -0.75 4.56 4.65 3glgE1 TYR 222 HB2 -0.08 -0.04 -0.01 -0.04 3.06 2.88 3glgE1 TYR 222 HB3 -0.12 0.16 0.13 -0.04 2.98 3.11 3glgE1 TYR 222 HD2 -0.08 0.04 -0.09 -0.04 7.15 6.98 3glgE1 TYR 222 HE2 -0.03 -0.04 -0.03 -0.04 6.85 6.72 3glgE1 SER 223 H -0.15 0.40 0.18 -0.55 8.46 8.34 3glgE1 SER 223 HA -0.33 -0.07 0.36 -0.75 4.49 3.70 3glgE1 SER 223 HB2 -0.97 -0.01 0.03 -0.04 3.95 2.95 3glgE1 SER 223 HB3 -0.71 -0.03 -0.27 -0.04 3.93 2.89 3glgE1 VAL 224 H -0.37 0.53 -0.17 -0.55 8.24 7.67 3glgE1 VAL 224 HA -0.03 -0.01 0.18 -0.75 4.13 3.51 3glgE1 VAL 224 HB -0.19 0.07 0.03 -0.04 2.12 2.00 3glgE1 VAL 224 HG13 -0.08 0.03 -0.19 -0.04 0.97 0.69 3glgE1 VAL 224 HG23 -0.08 -0.02 -0.06 -0.04 0.95 0.75 3glgE1 PRO 225 HA -0.36 0.04 0.29 -0.51 4.44 3.91 3glgE1 PRO 225 HB2 -0.24 0.04 -0.01 -0.04 2.28 2.03 3glgE1 PRO 225 HB3 -0.25 -0.04 0.07 -0.04 2.02 1.77 3glgE1 PRO 225 HG2 -0.20 0.11 0.11 -0.04 2.03 2.00 3glgE1 PRO 225 HG3 -0.37 -0.03 0.08 -0.04 2.03 1.67 3glgE1 PRO 225 HD2 -0.28 0.18 -0.45 -0.04 3.68 3.09 3glgE1 PRO 225 HD3 -0.24 0.04 -0.01 -0.04 3.65 3.40 3glgE1 SER 226 H -0.33 0.32 -0.45 -0.55 8.46 7.45 3glgE1 SER 226 HA -0.12 0.09 0.52 -0.75 4.49 4.22 3glgE1 SER 226 HB2 -0.27 -0.09 0.07 -0.04 3.95 3.62 3glgE1 SER 226 HB3 -0.58 0.00 0.07 -0.04 3.93 3.38 3glgE1 GLY 227 H -0.03 0.80 0.04 -0.55 8.43 8.70 3glgE1 GLY 227 HA2 0.32 0.05 0.33 -0.51 4.01 4.20 3glgE1 GLY 227 HA3 0.13 0.10 0.67 -0.51 4.01 4.39 3glgE1 ASP 228 H -0.06 0.18 -0.17 -0.55 8.40 7.80 3glgE1 ASP 228 HA 0.20 0.12 0.87 -0.75 4.63 5.07 3glgE1 ASP 228 HB2 0.12 0.12 -0.00 -0.04 2.71 2.90 3glgE1 ASP 228 HB3 0.22 0.02 0.14 -0.04 2.70 3.04 3glgE1 TRP 229 H 0.48 0.37 0.07 -0.55 7.97 8.34 3glgE1 TRP 229 HA 0.06 0.19 0.82 -0.75 4.62 4.94 3glgE1 TRP 229 HB2 0.06 0.08 0.07 -0.04 3.23 3.40 3glgE1 TRP 229 HB3 0.05 -0.03 0.05 -0.04 3.23 3.26 3glgE1 TRP 229 HD1 0.02 0.07 -0.42 -0.04 7.22 6.85 3glgE1 TRP 229 HE1 0.01 0.16 -0.17 -0.04 10.20 10.16 3glgE1 TRP 229 HE3 0.04 -0.05 -0.03 -0.04 7.59 7.51 3glgE1 TRP 229 HZ2 0.03 0.07 -0.11 -0.04 7.44 7.38 3glgE1 TRP 229 HZ3 0.04 -0.02 -0.06 -0.04 7.13 7.05 3glgE1 TRP 229 HH2 0.03 -0.00 -0.07 -0.04 7.19 7.11 3glgE1 TYR 230 H 0.35 0.17 -0.00 -0.55 8.29 8.25 3glgE1 TYR 230 HA 0.11 0.08 0.46 -0.75 4.56 4.45 3glgE1 TYR 230 HB2 0.08 0.06 0.04 -0.04 3.06 3.19 3glgE1 TYR 230 HB3 0.09 0.01 0.05 -0.04 2.98 3.09 3glgE1 TYR 230 HD2 0.04 0.02 -0.02 -0.04 7.15 7.15 3glgE1 TYR 230 HE2 0.02 0.00 -0.02 -0.04 6.85 6.82 3glgE1 SER 231 H 0.15 0.10 -0.52 -0.55 8.46 7.64 3glgE1 SER 231 HA -0.10 0.03 0.36 -0.75 4.49 4.02 3glgE1 SER 231 HB2 0.07 -0.01 0.04 -0.04 3.95 4.00 3glgE1 SER 231 HB3 0.13 0.19 -0.05 -0.04 3.93 4.16 3glgE1 LEU 232 H 0.02 0.48 -0.54 -0.55 8.37 7.78 3glgE1 LEU 232 HA -0.05 0.04 0.41 -0.75 4.35 3.99 3glgE1 LEU 232 HB2 0.08 0.16 0.02 -0.04 1.64 1.86 3glgE1 LEU 232 HB3 0.01 -0.07 0.01 -0.04 1.64 1.56 3glgE1 LEU 232 HG -0.09 0.06 0.07 -0.04 1.64 1.64 3glgE1 LEU 232 HD13 -0.11 -0.00 -0.02 -0.04 0.93 0.75 3glgE1 LEU 232 HD23 -0.13 -0.02 -0.25 -0.04 0.89 0.45 3glgE1 LEU 233 H -0.16 0.61 -0.37 -0.55 8.37 7.90 3glgE1 LEU 233 HA -0.04 -0.01 0.20 -0.75 4.35 3.75 3glgE1 LEU 233 HB2 -0.29 0.15 0.15 -0.04 1.64 1.61 3glgE1 LEU 233 HB3 -0.24 -0.03 0.12 -0.04 1.64 1.45 3glgE1 LEU 233 HG -0.06 -0.01 -0.09 -0.04 1.64 1.45 3glgE1 LEU 233 HD13 0.01 -0.02 -0.02 -0.04 0.93 0.85 3glgE1 LEU 233 HD23 -0.01 -0.00 0.01 -0.04 0.89 0.85 3glgE1 ALA 234 H -0.12 0.22 -0.15 -0.55 8.40 7.81 3glgE1 ALA 234 HA -0.04 0.04 0.21 -0.75 4.34 3.79 3glgE1 ALA 234 HB3 -0.06 0.02 0.06 -0.04 1.41 1.39 3glgE1 ALA 235 H -0.04 0.22 -0.29 -0.55 8.40 7.74 3glgE1 ALA 235 HA -0.02 0.10 0.56 -0.75 4.34 4.22 3glgE1 ALA 235 HB3 -0.02 -0.01 0.01 -0.04 1.41 1.35 3glgE1 LEU 236 H -0.01 0.54 -0.15 -0.55 8.37 8.20 3glgE1 LEU 236 HA -0.02 0.11 0.87 -0.75 4.35 4.55 3glgE1 LEU 236 HB2 0.01 0.03 0.00 -0.04 1.64 1.64 3glgE1 LEU 236 HB3 0.00 -0.09 -0.03 -0.04 1.64 1.48 3glgE1 LEU 236 HG 0.01 0.04 -0.20 -0.04 1.64 1.45 3glgE1 LEU 236 HD13 0.06 -0.02 -0.13 -0.04 0.93 0.80 3glgE1 LEU 236 HD23 0.01 0.00 -0.17 -0.04 0.89 0.69 3glgE1 ASN 237 H 0.00 0.86 0.14 -0.55 8.53 8.98 3glgE1 ASN 237 HA 0.02 -0.02 0.46 -0.75 4.76 4.47 3glgE1 ASN 237 HB2 -0.00 -0.05 0.07 -0.04 2.88 2.86 3glgE1 ASN 237 HB3 0.00 0.06 0.11 -0.04 2.79 2.92 3glgE1 ASN 237 HD21 0.00 -0.07 -0.02 -0.04 7.03 6.90 3glgE1 ASN 237 HD22 -0.00 0.03 -0.02 -0.04 7.74 7.70 3glgE1 HIS 238 H 0.05 0.46 0.39 -0.55 8.41 8.77 3glgE1 HIS 238 HA -0.02 0.09 0.62 -0.75 4.63 4.57 3glgE1 HIS 238 HB2 -0.02 0.25 -0.48 -0.04 3.26 2.97 3glgE1 HIS 238 HB3 -0.05 0.05 -0.31 -0.04 3.20 2.85 3glgE1 HIS 238 HD2 -0.00 0.11 0.03 -0.04 6.97 7.06 3glgE1 HIS 238 HE1 -0.00 0.05 0.03 -0.04 7.75 7.78 3glgE1 GLU 239 H -0.90 0.20 0.18 -0.55 8.60 7.54 3glgE1 GLU 239 HA -0.08 0.11 0.30 -0.75 4.29 3.87 3glgE1 GLU 239 HB2 -0.19 0.02 0.15 -0.04 2.09 2.03 3glgE1 GLU 239 HB3 -0.21 -0.01 0.15 -0.04 1.99 1.88 3glgE1 GLU 239 HG2 -0.04 0.02 0.16 -0.04 2.34 2.44 3glgE1 GLU 239 HG3 -0.06 0.03 0.09 -0.04 2.34 2.36 3glgE1 GLN 240 H 0.74 0.03 -0.24 -0.55 8.47 8.45 3glgE1 GLN 240 HA 0.01 0.18 0.57 -0.75 4.36 4.37 3glgE1 GLN 240 HB2 0.10 0.02 0.06 -0.04 2.15 2.29 3glgE1 GLN 240 HB3 -0.11 -0.04 0.17 -0.04 2.02 2.00 3glgE1 GLN 240 HG2 0.10 0.01 -0.06 -0.04 2.40 2.41 3glgE1 GLN 240 HG3 0.13 -0.00 0.02 -0.04 2.39 2.50 3glgE1 GLN 240 HE21 0.05 0.03 0.01 -0.04 6.97 7.02 3glgE1 GLN 240 HE22 0.07 -0.02 0.01 -0.04 7.69 7.72 3glgE1 ALA 241 H 0.01 0.37 -0.65 -0.55 8.40 7.58 3glgE1 ALA 241 HA -0.09 0.03 0.31 -0.75 4.34 3.84 3glgE1 ALA 241 HB3 -0.02 0.04 0.14 -0.04 1.41 1.53 3glgE1 PRO 242 HA -0.05 0.07 0.36 -0.51 4.44 4.30 3glgE1 PRO 242 HB2 -0.07 -0.02 -0.01 -0.04 2.28 2.15 3glgE1 PRO 242 HB3 -0.04 0.09 0.05 -0.04 2.02 2.07 3glgE1 PRO 242 HG2 -0.04 0.08 0.05 -0.04 2.03 2.08 3glgE1 PRO 242 HG3 -0.04 0.09 0.00 -0.04 2.03 2.05 3glgE1 PRO 242 HD2 -0.05 0.04 -0.08 -0.04 3.68 3.55 3glgE1 PRO 242 HD3 -0.04 0.14 0.12 -0.04 3.65 3.83 3glgE1 ALA 243 H -0.18 0.24 -0.27 -0.55 8.40 7.65 3glgE1 ALA 243 HA -0.20 0.08 0.52 -0.75 4.34 3.98 3glgE1 ALA 243 HB3 -0.35 0.04 0.09 -0.04 1.41 1.15 3glgE1 ARG 244 H -0.55 0.47 0.03 -0.55 8.46 7.86 3glgE1 ARG 244 HA -1.26 -0.01 0.49 -0.75 4.34 2.81 3glgE1 ARG 244 HB2 -0.24 0.06 0.09 -0.04 1.90 1.77 3glgE1 ARG 244 HB3 -0.17 0.02 0.03 -0.04 1.80 1.64 3glgE1 ARG 244 HG2 -1.03 -0.08 -0.02 -0.04 1.67 0.50 3glgE1 ARG 244 HG3 -0.54 0.15 -0.02 -0.04 1.67 1.22 3glgE1 ARG 244 HD2 -0.15 0.03 -0.12 -0.04 3.22 2.93 3glgE1 ARG 244 HD3 -0.10 0.22 0.04 -0.04 3.22 3.35 3glgE1 LEU 245 H -0.15 0.78 -0.06 -0.55 8.37 8.39 3glgE1 LEU 245 HA 0.01 -0.02 0.54 -0.75 4.35 4.13 3glgE1 LEU 245 HB2 -0.03 0.16 0.14 -0.04 1.64 1.87 3glgE1 LEU 245 HB3 0.02 0.02 -0.00 -0.04 1.64 1.64 3glgE1 LEU 245 HG -0.02 -0.01 0.04 -0.04 1.64 1.61 3glgE1 LEU 245 HD13 -0.01 -0.01 -0.12 -0.04 0.93 0.75 3glgE1 LEU 245 HD23 0.04 -0.01 0.02 -0.04 0.89 0.90 3glgE1 HIS 246 H -0.02 0.44 -0.30 -0.55 8.41 7.98 3glgE1 HIS 246 HA 0.03 -0.00 0.44 -0.75 4.63 4.34 3glgE1 HIS 246 HB2 -0.02 0.00 0.14 -0.04 3.26 3.35 3glgE1 HIS 246 HB3 -0.10 0.16 0.25 -0.04 3.20 3.47 3glgE1 HIS 246 HD2 0.21 -0.02 -0.09 -0.04 6.97 7.03 3glgE1 HIS 246 HE1 0.07 -0.01 0.04 -0.04 7.75 7.80 3glgE1 TRP 247 H -0.07 0.42 -0.18 -0.55 7.97 7.60 3glgE1 TRP 247 HA -0.21 0.01 0.51 -0.75 4.62 4.18 3glgE1 TRP 247 HB2 -0.07 0.22 0.21 -0.04 3.23 3.55 3glgE1 TRP 247 HB3 -0.12 -0.09 0.01 -0.04 3.23 2.98 3glgE1 TRP 247 HD1 0.02 0.00 -0.06 -0.04 7.22 7.14 3glgE1 TRP 247 HE1 0.06 -0.00 -0.09 -0.04 10.20 10.13 3glgE1 TRP 247 HE3 -0.11 0.05 0.04 -0.04 7.59 7.53 3glgE1 TRP 247 HZ2 0.00 -0.03 -0.09 -0.04 7.44 7.28 3glgE1 TRP 247 HZ3 -0.13 0.04 -0.33 -0.04 7.13 6.68 3glgE1 TRP 247 HH2 -0.07 0.02 -0.05 -0.04 7.19 7.05 3glgE1 LEU 248 H 0.12 0.57 -0.08 -0.55 8.37 8.44 3glgE1 LEU 248 HA 0.08 -0.04 0.39 -0.75 4.35 4.03 3glgE1 LEU 248 HB2 0.09 -0.01 0.10 -0.04 1.64 1.78 3glgE1 LEU 248 HB3 0.08 0.19 0.21 -0.04 1.64 2.08 3glgE1 LEU 248 HG 0.16 0.02 -0.19 -0.04 1.64 1.58 3glgE1 LEU 248 HD13 0.15 -0.03 0.03 -0.04 0.93 1.04 3glgE1 LEU 248 HD23 0.19 -0.00 -0.04 -0.04 0.89 1.01 3glgE1 ALA 249 H 0.03 0.66 -0.16 -0.55 8.40 8.38 3glgE1 ALA 249 HA 0.06 0.01 0.41 -0.75 4.34 4.06 3glgE1 ALA 249 HB3 0.03 0.05 0.08 -0.04 1.41 1.53 3glgE1 THR 250 H -0.10 0.53 -0.26 -0.55 8.28 7.91 3glgE1 THR 250 HA -0.01 0.03 0.34 -0.75 4.39 3.99 3glgE1 THR 250 HB -0.03 -0.14 0.09 -0.04 4.32 4.20 3glgE1 THR 250 HG23 -0.28 0.15 0.11 -0.04 1.22 1.15 3glgE1 LEU 251 H 0.01 0.42 -0.34 -0.55 8.37 7.92 3glgE1 LEU 251 HA -0.00 -0.05 0.52 -0.75 4.35 4.06 3glgE1 LEU 251 HB2 0.03 0.16 0.16 -0.04 1.64 1.95 3glgE1 LEU 251 HB3 0.01 -0.00 -0.02 -0.04 1.64 1.59 3glgE1 LEU 251 HG -0.04 0.06 -0.03 -0.04 1.64 1.59 3glgE1 LEU 251 HD13 -0.04 -0.00 -0.09 -0.04 0.93 0.75 3glgE1 LEU 251 HD23 -0.05 -0.03 -0.03 -0.04 0.89 0.74 3glgE1 LEU 252 H 0.06 0.55 -0.05 -0.55 8.37 8.38 3glgE1 LEU 252 HA 0.09 0.02 0.34 -0.75 4.35 4.05 3glgE1 LEU 252 HB2 0.07 0.17 0.18 -0.04 1.64 2.03 3glgE1 LEU 252 HB3 0.08 0.03 0.02 -0.04 1.64 1.72 3glgE1 LEU 252 HG 0.16 -0.02 0.05 -0.04 1.64 1.79 3glgE1 LEU 252 HD13 0.15 -0.01 -0.17 -0.04 0.93 0.85 3glgE1 LEU 252 HD23 0.21 0.01 0.01 -0.04 0.89 1.07 3glgE1 MET 253 H 0.04 0.45 -0.30 -0.55 8.47 8.12 3glgE1 MET 253 HA 0.05 0.08 0.38 -0.75 4.52 4.27 3glgE1 MET 253 HB2 0.04 0.03 0.05 -0.04 2.15 2.22 3glgE1 MET 253 HB3 0.03 0.05 0.09 -0.04 2.03 2.15 3glgE1 MET 253 HG2 0.03 -0.03 -0.27 -0.04 2.63 2.32 3glgE1 MET 253 HG3 0.04 -0.04 0.07 -0.04 2.56 2.59 3glgE1 MET 253 HE3 0.02 0.00 -0.04 -0.04 2.10 2.05 3glgE1 ASP 254 H 0.02 0.44 -0.32 -0.55 8.40 8.00 3glgE1 ASP 254 HA 0.02 0.04 0.40 -0.75 4.63 4.33 3glgE1 ASP 254 HB2 0.01 0.20 0.25 -0.04 2.71 3.12 3glgE1 ASP 254 HB3 0.00 -0.03 0.01 -0.04 2.70 2.64 3glgE1 ALA 255 H 0.03 0.51 -0.13 -0.55 8.40 8.26 3glgE1 ALA 255 HA -0.03 0.03 0.48 -0.75 4.34 4.06 3glgE1 ALA 255 HB3 0.02 0.06 0.03 -0.04 1.41 1.48 3glgE1 LEU 256 H 0.06 0.44 -0.25 -0.55 8.37 8.07 3glgE1 LEU 256 HA 0.17 0.04 0.46 -0.75 4.35 4.27 3glgE1 LEU 256 HB2 0.08 0.09 0.15 -0.04 1.64 1.92 3glgE1 LEU 256 HB3 0.13 -0.02 -0.07 -0.04 1.64 1.63 3glgE1 LEU 256 HG 0.09 0.00 -0.05 -0.04 1.64 1.64 3glgE1 LEU 256 HD13 0.06 -0.02 -0.09 -0.04 0.93 0.84 3glgE1 LEU 256 HD23 0.14 0.00 0.07 -0.04 0.89 1.06 3glgE1 LYS 257 H 0.06 0.26 -0.60 -0.55 8.42 7.59 3glgE1 LYS 257 HA 0.12 0.05 0.43 -0.75 4.32 4.18 3glgE1 LYS 257 HB2 0.04 0.13 0.21 -0.04 1.87 2.21 3glgE1 LYS 257 HB3 0.04 -0.03 -0.03 -0.04 1.79 1.73 3glgE1 LYS 257 HG2 0.03 -0.06 -0.01 -0.04 1.46 1.38 3glgE1 LYS 257 HG3 0.04 0.20 0.01 -0.04 1.46 1.67 3glgE1 LYS 257 HD2 0.02 -0.01 0.05 -0.04 1.69 1.70 3glgE1 LYS 257 HD3 0.02 -0.00 -0.01 -0.04 1.68 1.65 3glgE1 LYS 257 HE2 0.02 -0.01 -0.06 -0.04 2.99 2.89 3glgE1 LYS 257 HE3 0.02 -0.05 -0.13 -0.04 2.99 2.79 3glgE1 ARG 258 H 0.01 0.48 -0.03 -0.55 8.46 8.36 3glgE1 ARG 258 HA 0.01 0.01 0.60 -0.75 4.34 4.22 3glgE1 ARG 258 HB2 -0.07 0.08 0.17 -0.04 1.90 2.03 3glgE1 ARG 258 HB3 -0.08 -0.00 0.05 -0.04 1.80 1.73 3glgE1 ARG 258 HG2 -0.01 0.04 -0.00 -0.04 1.67 1.66 3glgE1 ARG 258 HG3 -0.01 0.03 -0.02 -0.04 1.67 1.63 3glgE1 ARG 258 HD2 -0.01 -0.02 -0.04 -0.04 3.22 3.11 3glgE1 ARG 258 HD3 -0.03 -0.05 -0.07 -0.04 3.22 3.03 3glgE1 HIS 259 H 0.01 0.45 -0.30 -0.55 8.41 8.02 3glgE1 HIS 259 HA -0.06 0.04 0.33 -0.75 4.63 4.19 3glgE1 HIS 259 HB2 -0.07 0.08 0.13 -0.04 3.26 3.37 3glgE1 HIS 259 HB3 -0.22 -0.06 0.10 -0.04 3.20 2.97 3glgE1 HIS 259 HD2 -0.01 -0.09 -0.04 -0.04 6.97 6.79 3glgE1 HIS 259 HE1 -0.03 0.01 0.08 -0.04 7.75 7.77 3glgE1 HIS 260 H 0.12 0.13 -1.14 -0.55 8.41 6.98 3glgE1 HIS 260 HA 0.04 0.13 0.82 -0.75 4.63 4.87 3glgE1 HIS 260 HB2 0.03 0.10 0.08 -0.04 3.26 3.44 3glgE1 HIS 260 HB3 0.02 -0.09 0.11 -0.04 3.20 3.19 3glgE1 HIS 260 HD2 0.02 -0.03 0.05 -0.04 6.97 6.96 3glgE1 HIS 260 HE1 0.01 -0.06 -0.03 -0.04 7.75 7.63 3glgE1 GLY 261 H 0.07 0.23 0.04 -0.55 8.43 8.21 3glgE1 GLY 261 HA2 0.03 0.02 0.33 -0.51 4.01 3.88 3glgE1 GLY 261 HA3 0.04 -0.01 0.20 -0.51 4.01 3.73 3glgE1 ALA 262 H 0.07 0.36 -0.22 -0.55 8.40 8.07 3glgE1 ALA 262 HA 0.03 -0.01 0.46 -0.75 4.34 4.07 3glgE1 ALA 262 HB3 0.03 -0.01 -0.05 -0.04 1.41 1.34 3glgE1 ALA 263 H 0.02 0.06 0.13 -0.55 8.40 8.07 3glgE1 ALA 263 HA 0.01 0.11 0.38 -0.75 4.34 4.09 3glgE1 ALA 263 HB3 0.01 -0.02 0.10 -0.04 1.41 1.47 3glgE1 GLN 264 H 0.01 0.05 0.02 -0.55 8.47 8.00 3glgE1 GLN 264 HA 0.01 0.07 0.56 -0.75 4.36 4.25 3glgE1 GLN 264 HB2 0.01 -0.01 0.05 -0.04 2.15 2.16 3glgE1 GLN 264 HB3 0.01 -0.05 0.10 -0.04 2.02 2.04 3glgE1 GLN 264 HG2 0.02 -0.06 -0.39 -0.04 2.40 1.92 3glgE1 GLN 264 HG3 0.02 0.19 -0.61 -0.04 2.39 1.95 3glgE1 GLN 264 HE21 0.03 0.02 -0.10 -0.04 6.97 6.87 3glgE1 GLN 264 HE22 0.03 -0.08 -0.30 -0.04 7.69 7.30 3glgE1 VAL 265 H 0.01 0.16 0.12 -0.55 8.24 7.99 3glgE1 VAL 265 HA 0.02 0.24 0.41 -0.75 4.13 4.05 3glgE1 VAL 265 HB 0.01 -0.20 0.04 -0.04 2.12 1.92 3glgE1 VAL 265 HG13 0.01 0.06 -0.08 -0.04 0.97 0.92 3glgE1 VAL 265 HG23 0.01 -0.01 -0.31 -0.04 0.95 0.60 3glgE1 THR 266 H 0.01 0.13 0.03 -0.55 8.28 7.91 3glgE1 THR 266 HA 0.03 0.24 0.76 -0.75 4.39 4.66 3glgE1 THR 266 HB 0.01 0.01 0.11 -0.04 4.32 4.40 3glgE1 THR 266 HG23 0.02 -0.00 -0.30 -0.04 1.22 0.90 3glgE1 ASN 267 H -0.01 0.14 -0.03 -0.55 8.53 8.09 3glgE1 ASN 267 HA -0.01 0.13 0.56 -0.75 4.76 4.68 3glgE1 ASN 267 HB2 -0.04 0.02 0.12 -0.04 2.88 2.94 3glgE1 ASN 267 HB3 -0.07 -0.04 0.07 -0.04 2.79 2.71 3glgE1 ASN 267 HD21 -0.04 0.05 -0.27 -0.04 7.03 6.74 3glgE1 ASN 267 HD22 -0.02 -0.07 -0.01 -0.04 7.74 7.60 3glgE1 VAL 268 H 0.03 0.68 -0.23 -0.55 8.24 8.18 3glgE1 VAL 268 HA 0.01 0.05 0.18 -0.75 4.13 3.62 3glgE1 VAL 268 HB 0.04 0.04 0.04 -0.04 2.12 2.20 3glgE1 VAL 268 HG13 0.03 -0.02 -0.11 -0.04 0.97 0.82 3glgE1 VAL 268 HG23 0.02 0.05 -0.07 -0.04 0.95 0.91 3glgE1 ASP 269 H 0.04 0.04 -0.51 -0.55 8.40 7.43 3glgE1 ASP 269 HA 0.04 0.13 0.38 -0.75 4.63 4.42 3glgE1 ASP 269 HB2 0.12 -0.05 -0.04 -0.04 2.71 2.69 3glgE1 ASP 269 HB3 0.14 0.08 -0.31 -0.04 2.70 2.57 3glgE1 VAL 270 H -0.01 0.47 -0.33 -0.55 8.24 7.83 3glgE1 VAL 270 HA -0.02 0.27 1.01 -0.75 4.13 4.64 3glgE1 VAL 270 HB -0.06 -0.16 0.25 -0.04 2.12 2.11 3glgE1 VAL 270 HG13 -0.09 0.01 -0.10 -0.04 0.97 0.75 3glgE1 VAL 270 HG23 -0.08 -0.00 -0.01 -0.04 0.95 0.82 3glgE1 PRO 271 HA -0.01 0.06 0.04 -0.51 4.44 4.02 3glgE1 PRO 271 HB2 -0.00 0.05 -0.04 -0.04 2.28 2.25 3glgE1 PRO 271 HB3 -0.00 0.09 0.05 -0.04 2.02 2.12 3glgE1 PRO 271 HG2 -0.00 0.05 -0.02 -0.04 2.03 2.02 3glgE1 PRO 271 HG3 0.00 0.15 0.03 -0.04 2.03 2.17 3glgE1 PRO 271 HD2 -0.01 -0.03 -0.03 -0.04 3.68 3.58 3glgE1 PRO 271 HD3 0.00 0.27 -0.21 -0.04 3.65 3.66 3glgE1 GLY 272 H -0.01 0.09 -0.50 -0.55 8.43 7.46 3glgE1 GLY 272 HA2 -0.01 0.13 0.56 -0.51 4.01 4.17 3glgE1 GLY 272 HA3 -0.01 0.07 0.23 -0.51 4.01 3.79 3glgE1 LEU 273 H -0.03 0.28 -0.02 -0.55 8.37 8.05 3glgE1 LEU 273 HA -0.04 0.11 0.50 -0.75 4.35 4.17 3glgE1 LEU 273 HB2 -0.06 -0.02 0.11 -0.04 1.64 1.64 3glgE1 LEU 273 HB3 -0.05 0.05 0.13 -0.04 1.64 1.72 3glgE1 LEU 273 HG -0.05 -0.01 -0.15 -0.04 1.64 1.39 3glgE1 LEU 273 HD13 -0.07 0.00 -0.04 -0.04 0.93 0.78 3glgE1 LEU 273 HD23 -0.08 0.00 0.01 -0.04 0.89 0.78 3glgE1 VAL 274 H -0.02 0.31 -0.17 -0.55 8.24 7.81 3glgE1 VAL 274 HA -0.01 0.04 0.27 -0.75 4.13 3.68 3glgE1 VAL 274 HB -0.01 0.07 0.02 -0.04 2.12 2.16 3glgE1 VAL 274 HG13 -0.02 0.00 -0.32 -0.04 0.97 0.60 3glgE1 VAL 274 HG23 -0.01 0.01 -0.04 -0.04 0.95 0.87 3glgE1 ALA 275 H -0.01 0.46 -0.21 -0.55 8.40 8.09 3glgE1 ALA 275 HA -0.03 0.03 0.43 -0.75 4.34 4.01 3glgE1 ALA 275 HB3 -0.01 0.03 0.11 -0.04 1.41 1.50 3glgE1 GLU 276 H 0.00 0.44 -0.27 -0.55 8.60 8.22 3glgE1 GLU 276 HA 0.10 0.03 0.25 -0.75 4.29 3.91 3glgE1 GLU 276 HB2 -0.01 0.08 0.16 -0.04 2.09 2.28 3glgE1 GLU 276 HB3 -0.04 0.01 0.03 -0.04 1.99 1.95 3glgE1 GLU 276 HG2 -0.00 -0.01 0.09 -0.04 2.34 2.38 3glgE1 GLU 276 HG3 0.11 -0.03 0.02 -0.04 2.34 2.40 3glgE1 LEU 277 H 0.02 0.41 -0.40 -0.55 8.37 7.85 3glgE1 LEU 277 HA 0.11 0.03 0.48 -0.75 4.35 4.21 3glgE1 LEU 277 HB2 0.03 0.14 0.16 -0.04 1.64 1.93 3glgE1 LEU 277 HB3 0.09 -0.04 -0.02 -0.04 1.64 1.63 3glgE1 LEU 277 HG 0.02 0.02 -0.08 -0.04 1.64 1.56 3glgE1 LEU 277 HD13 0.04 -0.03 -0.19 -0.04 0.93 0.71 3glgE1 LEU 277 HD23 0.17 -0.01 -0.06 -0.04 0.89 0.95 3glgE1 ALA 278 H -0.02 0.41 -0.02 -0.55 8.40 8.22 3glgE1 ALA 278 HA -0.16 0.02 0.27 -0.75 4.34 3.72 3glgE1 ALA 278 HB3 -0.26 -0.00 0.13 -0.04 1.41 1.24 3glgE1 ASN 279 H 0.06 0.23 -0.56 -0.55 8.53 7.72 3glgE1 ASN 279 HA 0.00 0.05 0.38 -0.75 4.76 4.44 3glgE1 ASN 279 HB2 0.06 0.08 0.04 -0.04 2.88 3.01 3glgE1 ASN 279 HB3 0.17 0.05 -0.00 -0.04 2.79 2.96 3glgE1 ASN 279 HD21 -0.11 -0.06 -0.04 -0.04 7.03 6.78 3glgE1 ASN 279 HD22 -0.29 0.03 -0.11 -0.04 7.74 7.33 3glgE1 HIS 280 H 0.25 0.40 -0.05 -0.55 8.41 8.46 3glgE1 HIS 280 HA 0.04 0.15 0.79 -0.75 4.63 4.86 3glgE1 HIS 280 HB2 0.06 0.08 0.05 -0.04 3.26 3.41 3glgE1 HIS 280 HB3 0.06 0.01 0.08 -0.04 3.20 3.31 3glgE1 HIS 280 HD2 0.01 0.06 0.03 -0.04 6.97 7.03 3glgE1 HIS 280 HE1 -0.00 -0.06 -0.02 -0.04 7.75 7.62 3glgE1 LEU 281 H 0.15 0.41 -0.32 -0.55 8.37 8.06 3glgE1 LEU 281 HA 0.10 0.14 0.87 -0.75 4.35 4.70 3glgE1 LEU 281 HB2 0.15 0.07 -0.02 -0.04 1.64 1.79 3glgE1 LEU 281 HB3 0.09 -0.08 -0.07 -0.04 1.64 1.54 3glgE1 LEU 281 HG 0.17 0.18 -0.10 -0.04 1.64 1.86 3glgE1 LEU 281 HD13 0.27 -0.06 -0.20 -0.04 0.93 0.90 3glgE1 LEU 281 HD23 0.16 -0.04 -0.12 -0.04 0.89 0.86 3glgE1 SER 282 H 0.02 0.13 0.11 -0.55 8.46 8.17 3glgE1 SER 282 HA -0.06 0.21 0.50 -0.75 4.49 4.39 3glgE1 SER 282 HB2 -0.06 -0.25 0.05 -0.04 3.95 3.65 3glgE1 SER 282 HB3 -0.05 0.11 0.14 -0.04 3.93 4.09 3glgE1 PRO 283 HA 0.01 0.10 0.55 -0.51 4.44 4.59 3glgE1 PRO 283 HB2 -0.13 -0.06 0.13 -0.04 2.28 2.18 3glgE1 PRO 283 HB3 -0.12 0.07 0.09 -0.04 2.02 2.03 3glgE1 PRO 283 HG2 -0.36 0.05 0.14 -0.04 2.03 1.82 3glgE1 PRO 283 HG3 -0.70 0.12 0.15 -0.04 2.03 1.56 3glgE1 PRO 283 HD2 -0.28 0.06 0.30 -0.04 3.68 3.72 3glgE1 PRO 283 HD3 -0.78 0.34 0.20 -0.04 3.65 3.37 3glgE1 SER 284 H -0.08 0.17 -0.13 -0.55 8.46 7.88 3glgE1 SER 284 HA -0.06 0.06 0.29 -0.75 4.49 4.03 3glgE1 SER 284 HB2 -0.07 0.05 0.08 -0.04 3.95 3.97 3glgE1 SER 284 HB3 -0.06 -0.00 0.12 -0.04 3.93 3.94 3glgE1 ARG 285 H -0.04 0.17 -0.43 -0.55 8.46 7.60 3glgE1 ARG 285 HA -0.12 0.12 0.65 -0.75 4.34 4.23 3glgE1 ARG 285 HB2 -0.02 0.00 0.05 -0.04 1.90 1.88 3glgE1 ARG 285 HB3 -0.07 0.01 -0.03 -0.04 1.80 1.68 3glgE1 ARG 285 HG2 -0.10 -0.00 -0.16 -0.04 1.67 1.38 3glgE1 ARG 285 HG3 -0.05 -0.13 -0.03 -0.04 1.67 1.41 3glgE1 ARG 285 HD2 -0.03 -0.09 -0.08 -0.04 3.22 2.98 3glgE1 ARG 285 HD3 -0.03 0.45 -0.09 -0.04 3.22 3.50 3glgE1 LEU 286 H 0.01 0.62 -0.05 -0.55 8.37 8.40 3glgE1 LEU 286 HA 0.05 0.01 0.38 -0.75 4.35 4.04 3glgE1 LEU 286 HB2 0.08 0.05 0.16 -0.04 1.64 1.89 3glgE1 LEU 286 HB3 0.08 -0.03 -0.04 -0.04 1.64 1.61 3glgE1 LEU 286 HG 0.12 0.10 -0.19 -0.04 1.64 1.62 3glgE1 LEU 286 HD13 0.19 -0.02 -0.28 -0.04 0.93 0.79 3glgE1 LEU 286 HD23 0.12 -0.01 -0.05 -0.04 0.89 0.90 3glgE1 GLN 287 H -0.01 0.66 -0.24 -0.55 8.47 8.33 3glgE1 GLN 287 HA 0.01 -0.00 0.19 -0.75 4.36 3.80 3glgE1 GLN 287 HB2 0.01 0.01 0.03 -0.04 2.15 2.16 3glgE1 GLN 287 HB3 -0.04 0.11 0.07 -0.04 2.02 2.12 3glgE1 GLN 287 HG2 -0.05 0.04 -0.38 -0.04 2.40 1.98 3glgE1 GLN 287 HG3 -0.02 -0.09 -0.05 -0.04 2.39 2.20 3glgE1 GLN 287 HE21 0.02 -0.01 -0.04 -0.04 6.97 6.90 3glgE1 GLN 287 HE22 0.02 -0.02 -0.03 -0.04 7.69 7.62 3glgE1 ALA 288 H -0.10 0.48 -0.05 -0.55 8.40 8.18 3glgE1 ALA 288 HA -0.15 0.04 0.53 -0.75 4.34 4.01 3glgE1 ALA 288 HB3 -0.36 0.03 0.14 -0.04 1.41 1.17 3glgE1 ILE 289 H -0.09 0.64 -0.25 -0.55 8.25 8.00 3glgE1 ILE 289 HA 0.03 -0.05 0.37 -0.75 4.18 3.78 3glgE1 ILE 289 HB -0.04 0.16 0.12 -0.04 1.89 2.10 3glgE1 ILE 289 HG12 -0.02 -0.09 0.02 -0.04 1.49 1.35 3glgE1 ILE 289 HG13 -0.11 0.28 0.10 -0.04 1.21 1.44 3glgE1 ILE 289 HG23 -0.09 -0.04 -0.08 -0.04 0.93 0.68 3glgE1 ILE 289 HD13 -0.47 -0.02 -0.07 -0.04 0.88 0.28 3glgE1 LEU 290 H 0.01 0.60 -0.13 -0.55 8.37 8.30 3glgE1 LEU 290 HA 0.05 -0.05 0.49 -0.75 4.35 4.09 3glgE1 LEU 290 HB2 0.04 0.03 0.06 -0.04 1.64 1.72 3glgE1 LEU 290 HB3 0.01 0.20 0.16 -0.04 1.64 1.97 3glgE1 LEU 290 HG 0.03 -0.02 -0.24 -0.04 1.64 1.37 3glgE1 LEU 290 HD13 0.05 -0.02 0.09 -0.04 0.93 1.01 3glgE1 LEU 290 HD23 0.03 -0.01 -0.07 -0.04 0.89 0.80 3glgE1 GLY 291 H -0.01 0.63 -0.09 -0.55 8.43 8.41 3glgE1 GLY 291 HA2 0.01 -0.06 0.42 -0.51 4.01 3.87 3glgE1 GLY 291 HA3 -0.02 0.11 0.33 -0.51 4.01 3.92 3glgE1 ASP 292 H 0.04 0.54 -0.06 -0.55 8.40 8.37 3glgE1 ASP 292 HA 0.13 -0.04 0.27 -0.75 4.63 4.24 3glgE1 ASP 292 HB2 0.15 0.12 0.13 -0.04 2.71 3.07 3glgE1 ASP 292 HB3 0.12 -0.02 -0.09 -0.04 2.70 2.66 3glgE1 VAL 293 H 0.07 0.67 -0.14 -0.55 8.24 8.29 3glgE1 VAL 293 HA 0.07 -0.03 0.39 -0.75 4.13 3.81 3glgE1 VAL 293 HB 0.08 0.21 0.18 -0.04 2.12 2.54 3glgE1 VAL 293 HG13 0.07 -0.04 -0.20 -0.04 0.97 0.77 3glgE1 VAL 293 HG23 0.11 -0.02 -0.00 -0.04 0.95 1.00 3glgE1 CYS 294 H 0.07 0.61 -0.04 -0.55 8.50 8.58 3glgE1 CYS 294 HA 0.07 -0.00 0.60 -0.75 4.58 4.49 3glgE1 CYS 294 HB2 0.07 0.17 0.15 -0.04 2.97 3.32 3glgE1 CYS 294 HB3 0.07 -0.08 -0.01 -0.04 2.97 2.91 3glgE1 HIS 295 H 0.16 0.62 -0.03 -0.55 8.41 8.61 3glgE1 HIS 295 HA 0.02 -0.02 0.36 -0.75 4.63 4.23 3glgE1 HIS 295 HB2 0.01 0.07 0.09 -0.04 3.26 3.39 3glgE1 HIS 295 HB3 0.02 0.08 0.10 -0.04 3.20 3.36 3glgE1 HIS 295 HD2 0.02 -0.01 0.05 -0.04 6.97 6.98 3glgE1 HIS 295 HE1 0.03 -0.01 -0.05 -0.04 7.75 7.68 3glgE1 ILE 296 H 0.04 0.64 -0.19 -0.55 8.25 8.19 3glgE1 ILE 296 HA -0.15 -0.02 0.49 -0.75 4.18 3.76 3glgE1 ILE 296 HB 0.02 0.15 0.10 -0.04 1.89 2.11 3glgE1 ILE 296 HG12 0.04 0.16 0.00 -0.04 1.49 1.66 3glgE1 ILE 296 HG13 0.01 -0.03 -0.04 -0.04 1.21 1.12 3glgE1 ILE 296 HG23 -0.01 -0.03 -0.30 -0.04 0.93 0.55 3glgE1 ILE 296 HD13 -0.04 -0.04 -0.09 -0.04 0.88 0.67 3glgE1 ARG 297 H 0.01 0.55 -0.10 -0.55 8.46 8.37 3glgE1 ARG 297 HA -0.02 -0.06 0.39 -0.75 4.34 3.89 3glgE1 ARG 297 HB2 0.02 0.02 0.15 -0.04 1.90 2.05 3glgE1 ARG 297 HB3 0.03 0.14 0.21 -0.04 1.80 2.13 3glgE1 ARG 297 HG2 -0.01 -0.03 -0.16 -0.04 1.67 1.43 3glgE1 ARG 297 HG3 -0.02 -0.10 0.14 -0.04 1.67 1.66 3glgE1 ARG 297 HD2 0.01 0.23 0.10 -0.04 3.22 3.52 3glgE1 ARG 297 HD3 0.07 -0.03 0.00 -0.04 3.22 3.21 3glgE1 GLU 298 H -0.01 0.56 -0.27 -0.55 8.60 8.33 3glgE1 GLU 298 HA -0.01 -0.00 0.29 -0.75 4.29 3.81 3glgE1 GLU 298 HB2 0.02 0.02 0.08 -0.04 2.09 2.17 3glgE1 GLU 298 HB3 -0.04 0.15 0.18 -0.04 1.99 2.25 3glgE1 GLU 298 HG2 0.04 -0.01 -0.02 -0.04 2.34 2.31 3glgE1 GLU 298 HG3 -0.01 -0.02 -0.23 -0.04 2.34 2.04 3glgE1 GLN 299 H -0.14 0.43 0.00 -0.55 8.47 8.22 3glgE1 GLN 299 HA -0.06 -0.05 0.38 -0.75 4.36 3.89 3glgE1 GLN 299 HB2 -0.13 0.12 0.16 -0.04 2.15 2.26 3glgE1 GLN 299 HB3 -0.08 -0.08 0.00 -0.04 2.02 1.82 3glgE1 GLN 299 HG2 -0.14 -0.06 0.05 -0.04 2.40 2.21 3glgE1 GLN 299 HG3 -0.37 0.23 0.16 -0.04 2.39 2.38 3glgE1 GLN 299 HE21 -0.02 -0.02 -0.03 -0.04 6.97 6.85 3glgE1 GLN 299 HE22 -0.09 -0.01 -0.01 -0.04 7.69 7.54 3glgE1 LEU 300 H -0.05 0.84 -0.22 -0.55 8.37 8.39 3glgE1 LEU 300 HA -0.03 -0.06 0.41 -0.75 4.35 3.91 3glgE1 LEU 300 HB2 -0.03 0.19 0.13 -0.04 1.64 1.89 3glgE1 LEU 300 HB3 -0.03 -0.07 0.01 -0.04 1.64 1.50 3glgE1 LEU 300 HG -0.02 0.03 -0.10 -0.04 1.64 1.50 3glgE1 LEU 300 HD13 -0.02 -0.03 -0.05 -0.04 0.93 0.79 3glgE1 LEU 300 HD23 -0.02 -0.03 -0.06 -0.04 0.89 0.75 3glgE1 MET 301 H -0.03 0.76 -0.39 -0.55 8.47 8.26 3glgE1 MET 301 HA -0.02 0.08 0.79 -0.75 4.52 4.62 3glgE1 MET 301 HB2 -0.02 0.16 0.16 -0.04 2.15 2.42 3glgE1 MET 301 HB3 -0.02 -0.11 0.08 -0.04 2.03 1.94 3glgE1 MET 301 HG2 -0.03 -0.07 -0.04 -0.04 2.63 2.45 3glgE1 MET 301 HG3 -0.03 0.27 0.00 -0.04 2.56 2.76 3glgE1 MET 301 HE3 -0.02 -0.00 -0.07 -0.04 2.10 1.97 3glgE1 SER 302 H -0.02 0.29 0.06 -0.55 8.46 8.23 3glgE1 SER 302 HA -0.01 0.16 0.66 -0.75 4.49 4.54 3glgE1 SER 302 HB2 -0.01 -0.05 0.08 -0.04 3.95 3.93 3glgE1 SER 302 HB3 -0.01 0.01 -0.08 -0.04 3.93 3.81 3glgE1 VAL 303 H -0.02 0.41 -0.05 -0.55 8.24 8.03 3glgE1 VAL 303 HA -0.01 0.11 0.93 -0.75 4.13 4.41 3glgE1 VAL 303 HB -0.02 0.09 0.14 -0.04 2.12 2.29 3glgE1 VAL 303 HG13 -0.01 -0.02 -0.10 -0.04 0.97 0.80 3glgE1 VAL 303 HG23 -0.02 -0.01 -0.06 -0.04 0.95 0.82 3glgE1 THR 304 H -0.01 0.16 0.07 -0.55 8.28 7.95 3glgE1 THR 304 HA -0.01 0.06 0.35 -0.75 4.39 4.04 3glgE1 THR 304 HB -0.01 -0.00 0.02 -0.04 4.32 4.29 3glgE1 THR 304 HG23 -0.01 0.02 0.00 -0.04 1.22 1.19 3glgE1 GLY 305 H -0.01 0.19 0.25 -0.55 8.43 8.30 3glgE1 GLY 305 HA2 -0.01 0.00 0.33 -0.51 4.01 3.83 3glgE1 GLY 305 HA3 -0.01 0.06 0.42 -0.51 4.01 3.97 3glgE1 ILE 306 H -0.01 0.40 -0.16 -0.55 8.25 7.93 3glgE1 ILE 306 HA -0.01 0.02 0.08 -0.75 4.18 3.52 3glgE1 ILE 306 HB -0.01 0.02 -0.05 -0.04 1.89 1.80 3glgE1 ILE 306 HG12 -0.01 -0.01 -0.14 -0.04 1.49 1.29 3glgE1 ILE 306 HG13 -0.01 -0.04 0.03 -0.04 1.21 1.15 3glgE1 ILE 306 HG23 -0.02 0.04 -0.10 -0.04 0.93 0.81 3glgE1 ILE 306 HD13 -0.02 0.00 -0.09 -0.04 0.88 0.73 3glgE1 ASN 307 H -0.01 0.11 0.13 -0.55 8.53 8.22 3glgE1 ASN 307 HA -0.01 0.14 0.58 -0.75 4.76 4.71 3glgE1 ASN 307 HB2 -0.00 0.13 0.12 -0.04 2.88 3.08 3glgE1 ASN 307 HB3 -0.00 -0.02 0.20 -0.04 2.79 2.93 3glgE1 ASN 307 HD21 0.00 0.02 0.00 -0.04 7.03 7.01 3glgE1 ASN 307 HD22 0.00 0.08 0.03 -0.04 7.74 7.82 3glgE1 ARG 308 H -0.01 0.28 0.24 -0.55 8.46 8.42 3glgE1 ARG 308 HA -0.01 0.10 0.33 -0.75 4.34 4.02 3glgE1 ARG 308 HB2 -0.02 0.15 0.18 -0.04 1.90 2.18 3glgE1 ARG 308 HB3 -0.01 -0.12 0.18 -0.04 1.80 1.80 3glgE1 ARG 308 HG2 -0.00 -0.06 -0.17 -0.04 1.67 1.40 3glgE1 ARG 308 HG3 -0.01 0.07 0.05 -0.04 1.67 1.74 3glgE1 ARG 308 HD2 -0.02 -0.08 -0.06 -0.04 3.22 3.02 3glgE1 ARG 308 HD3 -0.01 0.14 0.09 -0.04 3.22 3.40 3glgE1 GLU 309 H -0.00 0.14 -0.02 -0.55 8.60 8.18 3glgE1 GLU 309 HA 0.01 0.06 0.36 -0.75 4.29 3.96 3glgE1 GLU 309 HB2 0.00 0.02 0.10 -0.04 2.09 2.18 3glgE1 GLU 309 HB3 0.01 -0.01 0.02 -0.04 1.99 1.97 3glgE1 GLU 309 HG2 0.03 -0.01 -0.07 -0.04 2.34 2.25 3glgE1 GLU 309 HG3 0.01 0.03 0.02 -0.04 2.34 2.36 3glgE1 LEU 310 H 0.01 0.08 -0.30 -0.55 8.37 7.61 3glgE1 LEU 310 HA 0.02 0.04 0.36 -0.75 4.35 4.02 3glgE1 LEU 310 HB2 0.01 -0.02 0.09 -0.04 1.64 1.67 3glgE1 LEU 310 HB3 0.00 0.08 0.12 -0.04 1.64 1.80 3glgE1 LEU 310 HG 0.01 0.02 -0.17 -0.04 1.64 1.46 3glgE1 LEU 310 HD13 0.01 -0.00 0.03 -0.04 0.93 0.92 3glgE1 LEU 310 HD23 0.00 0.00 0.00 -0.04 0.89 0.86 3glgE1 LEU 311 H 0.01 0.51 -0.10 -0.55 8.37 8.24 3glgE1 LEU 311 HA 0.01 0.00 0.31 -0.75 4.35 3.91 3glgE1 LEU 311 HB2 -0.01 0.13 0.09 -0.04 1.64 1.81 3glgE1 LEU 311 HB3 -0.01 0.01 -0.10 -0.04 1.64 1.50 3glgE1 LEU 311 HG -0.01 -0.02 0.00 -0.04 1.64 1.57 3glgE1 LEU 311 HD13 -0.01 -0.01 -0.06 -0.04 0.93 0.80 3glgE1 LEU 311 HD23 -0.04 0.01 -0.10 -0.04 0.89 0.72 3glgE1 ILE 312 H 0.02 0.73 0.03 -0.55 8.25 8.47 3glgE1 ILE 312 HA 0.03 0.04 0.44 -0.75 4.18 3.94 3glgE1 ILE 312 HB 0.02 0.02 0.04 -0.04 1.89 1.93 3glgE1 ILE 312 HG12 0.02 0.01 -0.05 -0.04 1.49 1.42 3glgE1 ILE 312 HG13 0.01 -0.02 -0.03 -0.04 1.21 1.13 3glgE1 ILE 312 HG23 0.04 -0.01 -0.15 -0.04 0.93 0.76 3glgE1 ILE 312 HD13 0.00 -0.02 -0.17 -0.04 0.88 0.66 3glgE1 THR 313 H 0.05 0.66 -0.15 -0.55 8.28 8.29 3glgE1 THR 313 HA 0.15 -0.04 0.38 -0.75 4.39 4.12 3glgE1 THR 313 HB 0.07 0.14 0.20 -0.04 4.32 4.69 3glgE1 THR 313 HG23 0.13 -0.02 -0.15 -0.04 1.22 1.14 3glgE1 ASP 314 H 0.03 0.72 0.03 -0.55 8.40 8.64 3glgE1 ASP 314 HA 0.00 -0.03 0.51 -0.75 4.63 4.36 3glgE1 ASP 314 HB2 0.00 -0.03 0.12 -0.04 2.71 2.77 3glgE1 ASP 314 HB3 0.01 0.12 0.17 -0.04 2.70 2.95 3glgE1 LEU 315 H 0.03 0.60 -0.19 -0.55 8.37 8.26 3glgE1 LEU 315 HA 0.00 -0.00 0.37 -0.75 4.35 3.96 3glgE1 LEU 315 HB2 0.03 -0.02 0.08 -0.04 1.64 1.69 3glgE1 LEU 315 HB3 0.05 0.16 0.18 -0.04 1.64 1.99 3glgE1 LEU 315 HG 0.06 -0.02 -0.38 -0.04 1.64 1.27 3glgE1 LEU 315 HD13 0.06 -0.00 -0.08 -0.04 0.93 0.86 3glgE1 LEU 315 HD23 0.07 -0.01 -0.06 -0.04 0.89 0.85 3glgE1 LEU 316 H 0.09 0.53 -0.18 -0.55 8.37 8.26 3glgE1 LEU 316 HA 0.13 0.04 0.46 -0.75 4.35 4.22 3glgE1 LEU 316 HB2 0.22 0.08 0.14 -0.04 1.64 2.04 3glgE1 LEU 316 HB3 0.25 -0.12 -0.25 -0.04 1.64 1.48 3glgE1 LEU 316 HG 0.12 0.22 -0.01 -0.04 1.64 1.93 3glgE1 LEU 316 HD13 0.09 0.05 -0.07 -0.04 0.93 0.96 3glgE1 LEU 316 HD23 0.24 -0.00 -0.13 -0.04 0.89 0.96 3glgE1 LEU 317 H 0.06 0.60 0.03 -0.55 8.37 8.51 3glgE1 LEU 317 HA 0.02 -0.03 0.40 -0.75 4.35 3.98 3glgE1 LEU 317 HB2 -0.03 0.10 0.17 -0.04 1.64 1.84 3glgE1 LEU 317 HB3 -0.07 -0.02 0.03 -0.04 1.64 1.54 3glgE1 LEU 317 HG -0.01 0.12 0.05 -0.04 1.64 1.76 3glgE1 LEU 317 HD13 -0.12 -0.01 -0.01 -0.04 0.93 0.75 3glgE1 LEU 317 HD23 -0.18 -0.03 0.02 -0.04 0.89 0.66 3glgE1 ARG 318 H -0.07 0.47 -0.36 -0.55 8.46 7.95 3glgE1 ARG 318 HA -0.17 0.04 0.47 -0.75 4.34 3.92 3glgE1 ARG 318 HB2 -0.12 -0.04 0.06 -0.04 1.90 1.76 3glgE1 ARG 318 HB3 -0.13 0.14 0.11 -0.04 1.80 1.88 3glgE1 ARG 318 HG2 -0.69 0.02 -0.26 -0.04 1.67 0.70 3glgE1 ARG 318 HG3 -0.37 -0.04 0.05 -0.04 1.67 1.26 3glgE1 ARG 318 HD2 -0.01 -0.00 -0.03 -0.04 3.22 3.14 3glgE1 ARG 318 HD3 -0.05 -0.02 -0.03 -0.04 3.22 3.07 3glgE1 ILE 319 H -0.16 0.43 -0.16 -0.55 8.25 7.81 3glgE1 ILE 319 HA -0.33 0.02 0.47 -0.75 4.18 3.59 3glgE1 ILE 319 HB -0.17 0.08 0.21 -0.04 1.89 1.97 3glgE1 ILE 319 HG12 -0.13 -0.05 0.05 -0.04 1.49 1.32 3glgE1 ILE 319 HG13 -0.08 0.08 0.09 -0.04 1.21 1.26 3glgE1 ILE 319 HG23 -1.00 -0.01 -0.19 -0.04 0.93 -0.31 3glgE1 ILE 319 HD13 -0.01 -0.02 -0.05 -0.04 0.88 0.75 3glgE1 GLU 320 H -0.10 0.40 -0.14 -0.55 8.60 8.22 3glgE1 GLU 320 HA -0.11 0.04 0.39 -0.75 4.29 3.86 3glgE1 GLU 320 HB2 0.01 0.19 0.15 -0.04 2.09 2.40 3glgE1 GLU 320 HB3 0.04 0.00 0.04 -0.04 1.99 2.03 3glgE1 GLU 320 HG2 0.17 0.23 0.20 -0.04 2.34 2.89 3glgE1 GLU 320 HG3 0.15 -0.01 0.14 -0.04 2.34 2.58 3glgE1 HIS 321 H -0.06 0.20 -0.52 -0.55 8.41 7.49 3glgE1 HIS 321 HA -0.06 0.03 0.60 -0.75 4.63 4.45 3glgE1 HIS 321 HB2 -0.13 0.01 0.15 -0.04 3.26 3.26 3glgE1 HIS 321 HB3 -0.24 0.13 0.16 -0.04 3.20 3.21 3glgE1 HIS 321 HD2 -0.03 -0.01 0.05 -0.04 6.97 6.94 3glgE1 HIS 321 HE1 0.00 -0.04 -0.01 -0.04 7.75 7.66 3glgE1 TYR 322 H -0.31 0.42 0.05 -0.55 8.29 7.90 3glgE1 TYR 322 HA -0.15 -0.03 0.37 -0.75 4.56 4.00 3glgE1 TYR 322 HB2 -0.16 0.22 0.10 -0.04 3.06 3.18 3glgE1 TYR 322 HB3 -0.12 -0.08 -0.04 -0.04 2.98 2.69 3glgE1 TYR 322 HD2 -0.10 -0.01 -0.02 -0.04 7.15 6.97 3glgE1 TYR 322 HE2 -0.02 -0.02 -0.03 -0.04 6.85 6.74 3glgE1 LEU 323 H -0.05 0.26 -0.62 -0.55 8.37 7.41 3glgE1 LEU 323 HA -0.03 -0.05 0.40 -0.75 4.35 3.91 3glgE1 LEU 323 HB2 -0.03 0.22 0.15 -0.04 1.64 1.95 3glgE1 LEU 323 HB3 0.01 -0.04 0.05 -0.04 1.64 1.61 3glgE1 LEU 323 HG -0.26 0.04 -0.08 -0.04 1.64 1.30 3glgE1 LEU 323 HD13 0.02 -0.01 -0.00 -0.04 0.93 0.89 3glgE1 LEU 323 HD23 -0.11 -0.03 -0.09 -0.04 0.89 0.62 3glgE1 GLN 324 H -0.07 0.37 -0.17 -0.55 8.47 8.05 3glgE1 GLN 324 HA -0.02 -0.01 0.45 -0.75 4.36 4.02 3glgE1 GLN 324 HB2 -0.19 0.14 0.10 -0.04 2.15 2.15 3glgE1 GLN 324 HB3 -0.08 0.00 0.03 -0.04 2.02 1.93 3glgE1 GLN 324 HG2 -0.02 0.12 0.19 -0.04 2.40 2.65 3glgE1 GLN 324 HG3 -0.01 -0.10 0.09 -0.04 2.39 2.33 3glgE1 GLN 324 HE21 0.02 -0.05 0.03 -0.04 6.97 6.93 3glgE1 GLN 324 HE22 0.01 0.07 0.03 -0.04 7.69 7.76 3glgE1 PRO 325 HA -0.03 0.11 0.48 -0.51 4.44 4.48 3glgE1 PRO 325 HB2 -0.02 -0.02 0.04 -0.04 2.28 2.24 3glgE1 PRO 325 HB3 -0.02 0.02 0.13 -0.04 2.02 2.11 3glgE1 PRO 325 HG2 -0.01 -0.01 0.12 -0.04 2.03 2.08 3glgE1 PRO 325 HG3 -0.01 0.07 0.13 -0.04 2.03 2.18 3glgE1 PRO 325 HD2 -0.02 0.05 0.21 -0.04 3.68 3.88 3glgE1 PRO 325 HD3 -0.01 0.10 0.27 -0.04 3.65 3.97 3glgE1 GLY 326 H -0.04 0.16 0.19 -0.55 8.43 8.20 3glgE1 GLY 326 HA2 -0.03 -0.03 0.33 -0.51 4.01 3.77 3glgE1 GLY 326 HA3 -0.03 0.04 0.15 -0.51 4.01 3.67 3glgE1 VAL 327 H -0.08 0.28 -0.66 -0.55 8.24 7.23 3glgE1 VAL 327 HA -0.06 -0.01 0.54 -0.75 4.13 3.86 3glgE1 VAL 327 HB -0.12 0.17 -0.07 -0.04 2.12 2.06 3glgE1 VAL 327 HG13 -0.03 -0.04 -0.28 -0.04 0.97 0.58 3glgE1 VAL 327 HG23 -0.48 0.02 -0.10 -0.04 0.95 0.35 3glgE1 VAL 328 H 0.02 0.07 0.12 -0.55 8.24 7.90 3glgE1 VAL 328 HA -0.02 0.10 0.59 -0.75 4.13 4.04 3glgE1 VAL 328 HB 0.03 -0.05 0.14 -0.04 2.12 2.20 3glgE1 VAL 328 HG13 0.01 -0.01 -0.21 -0.04 0.97 0.73 3glgE1 VAL 328 HG23 0.00 0.01 -0.00 -0.04 0.95 0.92 3glgE1 LEU 329 H -0.07 0.13 0.18 -0.55 8.37 8.07 3glgE1 LEU 329 HA -0.22 0.14 0.63 -0.75 4.35 4.15 3glgE1 LEU 329 HB2 -0.14 -0.04 0.07 -0.04 1.64 1.48 3glgE1 LEU 329 HB3 -0.31 0.03 0.04 -0.04 1.64 1.36 3glgE1 LEU 329 HG -0.12 0.09 -0.00 -0.04 1.64 1.58 3glgE1 LEU 329 HD13 -0.14 0.01 -0.06 -0.04 0.93 0.69 3glgE1 LEU 329 HD23 -0.35 0.03 -0.10 -0.04 0.89 0.43 3glgE1 PRO 330 HA -0.07 0.01 0.34 -0.51 4.44 4.22 3glgE1 PRO 330 HB2 -0.13 0.02 -0.03 -0.04 2.28 2.10 3glgE1 PRO 330 HB3 -0.06 -0.01 0.02 -0.04 2.02 1.92 3glgE1 PRO 330 HG2 -0.16 0.04 0.06 -0.04 2.03 1.92 3glgE1 PRO 330 HG3 0.09 0.04 0.08 -0.04 2.03 2.20 3glgE1 PRO 330 HD2 -0.53 0.09 0.19 -0.04 3.68 3.39 3glgE1 PRO 330 HD3 -0.26 0.24 0.27 -0.04 3.65 3.86 3glgE1 VAL 331 H -0.20 0.17 0.08 -0.55 8.24 7.75 3glgE1 VAL 331 HA -0.13 0.19 0.85 -0.75 4.13 4.28 3glgE1 VAL 331 HB -0.08 -0.06 0.10 -0.04 2.12 2.04 3glgE1 VAL 331 HG13 -0.06 0.03 -0.11 -0.04 0.97 0.79 3glgE1 VAL 331 HG23 -0.07 0.03 -0.17 -0.04 0.95 0.69 3glgE1 PRO 332 HA -0.30 0.01 0.20 -0.51 4.44 3.84 3glgE1 PRO 332 HB2 -0.07 0.02 -0.02 -0.04 2.28 2.17 3glgE1 PRO 332 HB3 -0.09 0.01 0.08 -0.04 2.02 1.98 3glgE1 PRO 332 HG2 -0.07 0.05 0.04 -0.04 2.03 2.01 3glgE1 PRO 332 HG3 -0.10 0.03 0.05 -0.04 2.03 1.97 3glgE1 PRO 332 HD2 -0.09 0.11 0.12 -0.04 3.68 3.77 3glgE1 PRO 332 HD3 -0.11 0.17 0.14 -0.04 3.65 3.80 3glgE1 HIS 333 H -0.05 0.14 0.15 -0.55 8.41 8.11 3glgE1 HIS 333 HA -0.03 0.21 0.80 -0.75 4.63 4.86 3glgE1 HIS 333 HB2 -0.04 -0.04 0.09 -0.04 3.26 3.24 3glgE1 HIS 333 HB3 -0.02 0.01 -0.09 -0.04 3.20 3.05 3glgE1 HIS 333 HD2 -0.04 -0.03 -0.04 -0.04 6.97 6.81 3glgE1 HIS 333 HE1 -0.02 -0.01 0.00 -0.04 7.75 7.68 3glgE1 LEU 334 H 0.09 0.20 0.09 -0.55 8.37 8.21 3glgE1 LEU 334 HA 0.02 0.05 0.18 -0.75 4.35 3.84 3glgE1 LEU 334 HB2 0.03 0.27 0.20 -0.04 1.64 2.10 3glgE1 LEU 334 HB3 0.01 -0.01 0.05 -0.04 1.64 1.65 3glgE1 LEU 334 HG 0.05 -0.02 -0.49 -0.04 1.64 1.14 3glgE1 LEU 334 HD13 0.00 0.00 -0.04 -0.04 0.93 0.85 3glgE1 LEU 334 HD23 -0.05 -0.00 -0.05 -0.04 0.89 0.75