============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 7 0.900 -4.171 12.810 -1.824 -99.200 -91.000 PHE 8 1.000 -4.191 7.093 -7.517 -99.200 -91.000 PHE 19 1.000 14.199 11.070 0.845 -99.200 -91.000 PHE 20 1.000 12.714 4.988 -1.960 -99.200 -91.000 TYR 26 0.840 -4.051 4.983 -2.202 -99.200 -91.000 HIS 30 0.900 -7.901 13.291 6.479 -99.200 -91.000 PHE 84 1.000 0.371 1.069 4.420 -99.200 -91.000 HIS 87 0.900 -8.287 -8.249 0.629 -99.200 -91.000 TYR 92 0.840 -15.977 -9.865 7.126 -99.200 -91.000 TRP 93 1.040 -7.995 -10.409 6.408 -99.200 -91.000 TRP6 93 1.020 -6.982 -9.810 4.364 -99.200 -91.000 PHE 124 1.000 -2.869 -9.857 -0.484 -99.200 -91.000 TYR 130 0.840 5.112 5.259 7.739 -99.200 -91.000 TRP 133 1.040 3.009 12.845 3.788 -99.200 -91.000 TRP6 133 1.020 3.151 11.605 1.792 -99.200 -91.000 TRP 147 1.040 4.714 16.437 -4.706 -99.200 -91.000 TRP6 147 1.020 5.196 14.185 -5.207 -99.200 -91.000 HIS 154 0.900 -11.492 -1.450 -7.809 -99.200 -91.000 PHE 158 1.000 -2.971 -1.426 -5.685 -99.200 -91.000 HIS 162 0.900 0.090 -1.910 -21.020 -99.200 -91.000 TRP 166 1.040 1.770 10.119 -15.431 -99.200 -91.000 TRP6 166 1.020 3.551 9.508 -14.011 -99.200 -91.000 PHE 175 1.000 -11.906 4.321 -19.049 -99.200 -91.000 TRP 178 1.040 -19.721 -1.955 -11.558 -99.200 -91.000 TRP6 178 1.020 -20.059 -1.084 -9.391 -99.200 -91.000 HIS 186 0.900 -32.393 -23.682 -18.699 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gzoA9 MET 1 HA -0.00 -0.02 0.19 -0.75 4.52 3.93 2gzoA9 MET 1 HB2 0.01 -0.12 0.11 -0.04 2.15 2.11 2gzoA9 MET 1 HB3 0.00 0.03 -0.02 -0.04 2.03 2.00 2gzoA9 MET 1 HG2 0.01 0.00 0.02 -0.04 2.63 2.62 2gzoA9 MET 1 HG3 0.00 0.01 0.03 -0.04 2.56 2.56 2gzoA9 MET 1 HE3 0.01 0.00 0.01 -0.04 2.10 2.07 2gzoA9 GLU 2 H -0.00 0.13 0.05 -0.55 8.60 8.23 2gzoA9 GLU 2 HA -0.04 0.16 0.89 -0.75 4.29 4.55 2gzoA9 GLU 2 HB2 -0.01 0.01 -0.01 -0.04 2.09 2.04 2gzoA9 GLU 2 HB3 0.00 -0.05 0.12 -0.04 1.99 2.02 2gzoA9 GLU 2 HG2 -0.07 -0.03 -0.39 -0.04 2.34 1.80 2gzoA9 GLU 2 HG3 -0.06 0.05 -0.08 -0.04 2.34 2.22 2gzoA9 SER 3 H -0.07 0.21 0.05 -0.55 8.46 8.11 2gzoA9 SER 3 HA -0.00 0.16 0.64 -0.75 4.49 4.54 2gzoA9 SER 3 HB2 -0.13 -0.02 0.04 -0.04 3.95 3.81 2gzoA9 SER 3 HB3 -0.06 0.04 -0.14 -0.04 3.93 3.73 2gzoA9 LEU 4 H -0.01 0.27 0.11 -0.55 8.37 8.19 2gzoA9 LEU 4 HA -0.46 0.10 0.45 -0.75 4.35 3.69 2gzoA9 LEU 4 HB2 -0.02 -0.12 0.15 -0.04 1.64 1.60 2gzoA9 LEU 4 HB3 0.01 -0.05 -0.12 -0.04 1.64 1.45 2gzoA9 LEU 4 HG 0.02 0.08 -0.13 -0.04 1.64 1.57 2gzoA9 LEU 4 HD13 0.01 0.03 -0.06 -0.04 0.93 0.87 2gzoA9 LEU 4 HD23 0.08 -0.04 -0.09 -0.04 0.89 0.81 2gzoA9 GLN 5 H -0.35 0.37 0.06 -0.55 8.47 8.01 2gzoA9 GLN 5 HA -0.03 0.08 0.28 -0.75 4.36 3.94 2gzoA9 GLN 5 HB2 -0.53 0.08 -0.26 -0.04 2.15 1.40 2gzoA9 GLN 5 HB3 -0.28 0.02 -0.14 -0.04 2.02 1.58 2gzoA9 GLN 5 HG2 -0.13 0.03 -0.22 -0.04 2.40 2.04 2gzoA9 GLN 5 HG3 -0.12 0.03 -0.02 -0.04 2.39 2.23 2gzoA9 GLN 5 HE21 -0.11 0.14 0.03 -0.04 6.97 7.00 2gzoA9 GLN 5 HE22 -0.13 -0.08 -0.01 -0.04 7.69 7.43 2gzoA9 ASN 6 H -0.07 0.27 0.06 -0.55 8.53 8.24 2gzoA9 ASN 6 HA -0.02 0.04 0.57 -0.75 4.76 4.59 2gzoA9 ASN 6 HB2 -0.02 0.09 0.17 -0.04 2.88 3.08 2gzoA9 ASN 6 HB3 -0.03 0.09 0.08 -0.04 2.79 2.90 2gzoA9 ASN 6 HD21 -0.02 0.15 0.20 -0.04 7.03 7.32 2gzoA9 ASN 6 HD22 -0.00 0.02 0.15 -0.04 7.74 7.87 2gzoA9 HIS 7 H -0.10 0.47 0.20 -0.55 8.41 8.43 2gzoA9 HIS 7 HA -0.25 0.04 0.75 -0.75 4.63 4.41 2gzoA9 HIS 7 HB2 -0.05 0.13 0.04 -0.04 3.26 3.33 2gzoA9 HIS 7 HB3 -0.09 0.25 -0.35 -0.04 3.20 2.96 2gzoA9 HIS 7 HD2 -0.15 -0.08 -0.59 -0.04 6.97 6.10 2gzoA9 HIS 7 HE1 -0.02 -0.03 -0.21 -0.04 7.75 7.44 2gzoA9 PHE 8 H -0.10 0.64 0.24 -0.55 8.34 8.57 2gzoA9 PHE 8 HA -0.03 0.16 0.93 -0.75 4.62 4.92 2gzoA9 PHE 8 HB2 -0.04 0.03 0.01 -0.04 3.15 3.11 2gzoA9 PHE 8 HB3 -0.07 -0.03 -0.04 -0.04 3.06 2.88 2gzoA9 PHE 8 HD2 -0.05 0.06 -0.12 -0.04 7.28 7.13 2gzoA9 PHE 8 HE2 -0.29 -0.00 -0.04 -0.04 7.38 7.01 2gzoA9 PHE 8 HZ -0.27 -0.06 -0.03 -0.04 7.32 6.92 2gzoA9 LEU 9 H 0.17 0.62 0.31 -0.55 8.37 8.93 2gzoA9 LEU 9 HA 0.29 0.48 0.96 -0.75 4.35 5.32 2gzoA9 LEU 9 HB2 0.08 -0.13 0.16 -0.04 1.64 1.71 2gzoA9 LEU 9 HB3 0.30 0.02 -0.04 -0.04 1.64 1.88 2gzoA9 LEU 9 HG -0.09 -0.01 -0.30 -0.04 1.64 1.20 2gzoA9 LEU 9 HD13 -0.02 -0.03 -0.17 -0.04 0.93 0.67 2gzoA9 LEU 9 HD23 0.28 0.07 -0.10 -0.04 0.89 1.09 2gzoA9 ILE 10 H 0.27 0.72 0.22 -0.55 8.25 8.92 2gzoA9 ILE 10 HA 0.01 0.06 0.80 -0.75 4.18 4.29 2gzoA9 ILE 10 HB 0.06 -0.01 0.06 -0.04 1.89 1.96 2gzoA9 ILE 10 HG12 -0.33 -0.04 -0.15 -0.04 1.49 0.93 2gzoA9 ILE 10 HG13 0.02 0.01 -0.23 -0.04 1.21 0.98 2gzoA9 ILE 10 HG23 -0.09 0.01 -0.17 -0.04 0.93 0.64 2gzoA9 ILE 10 HD13 -0.13 0.02 -0.18 -0.04 0.88 0.54 2gzoA9 ALA 11 H 0.01 0.16 0.10 -0.55 8.40 8.12 2gzoA9 ALA 11 HA -0.49 0.29 1.02 -0.75 4.34 4.41 2gzoA9 ALA 11 HB3 -0.90 0.00 0.03 -0.04 1.41 0.50 2gzoA9 MET 12 H -0.18 0.33 0.22 -0.55 8.47 8.30 2gzoA9 MET 12 HA 0.03 0.19 0.99 -0.75 4.52 4.97 2gzoA9 MET 12 HB2 0.07 -0.01 -0.10 -0.04 2.15 2.07 2gzoA9 MET 12 HB3 -0.01 0.09 0.10 -0.04 2.03 2.16 2gzoA9 MET 12 HG2 -0.02 0.01 -0.22 -0.04 2.63 2.35 2gzoA9 MET 12 HG3 0.01 -0.03 0.02 -0.04 2.56 2.52 2gzoA9 MET 12 HE3 -0.01 -0.01 -0.03 -0.04 2.10 2.01 2gzoA9 PRO 13 HA -0.06 0.07 0.46 -0.51 4.44 4.40 2gzoA9 PRO 13 HB2 -0.08 0.12 0.01 -0.04 2.28 2.29 2gzoA9 PRO 13 HB3 -0.04 0.01 0.15 -0.04 2.02 2.09 2gzoA9 PRO 13 HG2 -0.07 0.11 0.14 -0.04 2.03 2.17 2gzoA9 PRO 13 HG3 -0.04 0.02 0.10 -0.04 2.03 2.06 2gzoA9 PRO 13 HD2 -0.20 0.17 0.29 -0.04 3.68 3.89 2gzoA9 PRO 13 HD3 -0.08 0.11 0.28 -0.04 3.65 3.92 2gzoA9 SER 14 H -0.18 -0.03 -0.50 -0.55 8.46 7.21 2gzoA9 SER 14 HA -0.16 -0.00 0.28 -0.75 4.49 3.85 2gzoA9 SER 14 HB2 -0.06 0.31 0.19 -0.04 3.95 4.34 2gzoA9 SER 14 HB3 -0.06 -0.20 0.08 -0.04 3.93 3.70 2gzoA9 LEU 15 H -0.09 0.11 0.08 -0.55 8.37 7.92 2gzoA9 LEU 15 HA -0.01 0.20 0.47 -0.75 4.35 4.25 2gzoA9 LEU 15 HB2 0.04 -0.10 -0.04 -0.04 1.64 1.49 2gzoA9 LEU 15 HB3 0.08 0.07 0.02 -0.04 1.64 1.77 2gzoA9 LEU 15 HG 0.24 -0.02 -0.01 -0.04 1.64 1.81 2gzoA9 LEU 15 HD13 0.14 0.03 -0.12 -0.04 0.93 0.94 2gzoA9 LEU 15 HD23 -0.15 -0.04 0.00 -0.04 0.89 0.65 2gzoA9 ASP 16 H -0.03 -0.06 -0.56 -0.55 8.40 7.20 2gzoA9 ASP 16 HA -0.01 -0.09 0.28 -0.75 4.63 4.05 2gzoA9 ASP 16 HB2 -0.01 0.09 -0.08 -0.04 2.71 2.66 2gzoA9 ASP 16 HB3 0.00 0.16 -0.03 -0.04 2.70 2.79 2gzoA9 ASP 17 H 0.00 0.04 0.01 -0.55 8.40 7.90 2gzoA9 ASP 17 HA 0.02 0.02 0.31 -0.75 4.63 4.23 2gzoA9 ASP 17 HB2 0.02 -0.07 -0.08 -0.04 2.71 2.54 2gzoA9 ASP 17 HB3 0.03 0.21 0.26 -0.04 2.70 3.16 2gzoA9 THR 18 H 0.01 -0.06 -0.16 -0.55 8.28 7.53 2gzoA9 THR 18 HA 0.11 0.19 0.54 -0.75 4.39 4.48 2gzoA9 THR 18 HB 0.02 -0.02 -0.08 -0.04 4.32 4.20 2gzoA9 THR 18 HG23 -0.06 -0.02 -0.49 -0.04 1.22 0.61 2gzoA9 PHE 19 H 0.23 0.13 0.08 -0.55 8.34 8.23 2gzoA9 PHE 19 HA 0.07 0.19 0.48 -0.75 4.62 4.60 2gzoA9 PHE 19 HB2 0.05 0.02 0.10 -0.04 3.15 3.28 2gzoA9 PHE 19 HB3 0.04 0.06 0.08 -0.04 3.06 3.20 2gzoA9 PHE 19 HD2 0.05 0.04 -0.03 -0.04 7.28 7.29 2gzoA9 PHE 19 HE2 -0.01 0.01 -0.02 -0.04 7.38 7.32 2gzoA9 PHE 19 HZ 0.00 -0.09 0.01 -0.04 7.32 7.20 2gzoA9 PHE 20 H -0.41 -0.02 -0.39 -0.55 8.34 6.97 2gzoA9 PHE 20 HA -0.13 0.23 0.67 -0.75 4.62 4.63 2gzoA9 PHE 20 HB2 -0.34 0.11 -0.18 -0.04 3.15 2.69 2gzoA9 PHE 20 HB3 -0.66 -0.15 0.12 -0.04 3.06 2.33 2gzoA9 PHE 20 HD2 -0.08 0.03 0.04 -0.04 7.28 7.23 2gzoA9 PHE 20 HE2 0.00 0.02 -0.11 -0.04 7.38 7.25 2gzoA9 PHE 20 HZ 0.00 -0.01 -0.08 -0.04 7.32 7.19 2gzoA9 GLU 21 H -0.21 0.09 0.10 -0.55 8.60 8.04 2gzoA9 GLU 21 HA -0.32 0.25 0.77 -0.75 4.29 4.24 2gzoA9 GLU 21 HB2 -0.13 0.01 0.05 -0.04 2.09 1.98 2gzoA9 GLU 21 HB3 -0.09 -0.14 0.02 -0.04 1.99 1.74 2gzoA9 GLU 21 HG2 -1.57 0.01 -0.17 -0.04 2.34 0.57 2gzoA9 GLU 21 HG3 -0.34 0.00 -0.05 -0.04 2.34 1.92 2gzoA9 ARG 22 H -0.04 0.11 0.16 -0.55 8.46 8.14 2gzoA9 ARG 22 HA 0.13 0.17 0.61 -0.75 4.34 4.50 2gzoA9 ARG 22 HB2 -0.05 -0.08 0.18 -0.04 1.90 1.92 2gzoA9 ARG 22 HB3 -0.02 0.02 -0.17 -0.04 1.80 1.59 2gzoA9 ARG 22 HG2 -0.02 0.07 -0.15 -0.04 1.67 1.52 2gzoA9 ARG 22 HG3 -0.04 -0.01 -0.02 -0.04 1.67 1.56 2gzoA9 ARG 22 HD2 -0.06 0.05 -0.16 -0.04 3.22 3.01 2gzoA9 ARG 22 HD3 -0.08 -0.17 0.04 -0.04 3.22 2.97 2gzoA9 THR 23 H 0.09 -0.09 0.04 -0.55 8.28 7.77 2gzoA9 THR 23 HA 0.18 0.28 0.68 -0.75 4.39 4.78 2gzoA9 THR 23 HB 0.09 0.01 0.16 -0.04 4.32 4.53 2gzoA9 THR 23 HG23 0.22 0.03 0.12 -0.04 1.22 1.55 2gzoA9 VAL 24 H 0.07 0.09 0.16 -0.55 8.24 8.00 2gzoA9 VAL 24 HA 0.16 0.46 0.81 -0.75 4.13 4.81 2gzoA9 VAL 24 HB -0.20 -0.04 0.08 -0.04 2.12 1.93 2gzoA9 VAL 24 HG13 -0.20 0.03 -0.20 -0.04 0.97 0.55 2gzoA9 VAL 24 HG23 -0.73 -0.01 0.03 -0.04 0.95 0.20 2gzoA9 ILE 25 H 0.24 0.55 0.33 -0.55 8.25 8.82 2gzoA9 ILE 25 HA 0.17 0.12 0.95 -0.75 4.18 4.67 2gzoA9 ILE 25 HB 0.14 0.04 -0.02 -0.04 1.89 2.00 2gzoA9 ILE 25 HG12 0.19 -0.08 -0.34 -0.04 1.49 1.22 2gzoA9 ILE 25 HG13 0.25 0.10 -0.41 -0.04 1.21 1.11 2gzoA9 ILE 25 HG23 0.34 -0.02 -0.45 -0.04 0.93 0.76 2gzoA9 ILE 25 HD13 -0.03 -0.01 -0.19 -0.04 0.88 0.61 2gzoA9 TYR 26 H 0.22 0.64 0.27 -0.55 8.29 8.86 2gzoA9 TYR 26 HA -0.03 0.29 1.03 -0.75 4.56 5.10 2gzoA9 TYR 26 HB2 0.23 0.03 -0.07 -0.04 3.06 3.20 2gzoA9 TYR 26 HB3 0.09 -0.01 0.09 -0.04 2.98 3.10 2gzoA9 TYR 26 HD2 -0.12 0.08 -0.18 -0.04 7.15 6.89 2gzoA9 TYR 26 HE2 -0.09 -0.02 -0.18 -0.04 6.85 6.51 2gzoA9 LEU 27 H -0.47 0.73 0.21 -0.55 8.37 8.29 2gzoA9 LEU 27 HA -0.56 0.15 0.93 -0.75 4.35 4.11 2gzoA9 LEU 27 HB2 -0.59 0.08 -0.07 -0.04 1.64 1.02 2gzoA9 LEU 27 HB3 -0.48 0.01 -0.27 -0.04 1.64 0.86 2gzoA9 LEU 27 HG -1.01 -0.10 -0.53 -0.04 1.64 -0.04 2gzoA9 LEU 27 HD13 -0.40 -0.02 -0.43 -0.04 0.93 0.04 2gzoA9 LEU 27 HD23 -0.98 -0.01 -0.34 -0.04 0.89 -0.48 2gzoA9 CYS 28 H -0.53 0.39 0.32 -0.55 8.50 8.14 2gzoA9 CYS 28 HA -0.39 0.12 0.92 -0.75 4.58 4.48 2gzoA9 CYS 28 HB2 -0.54 -0.00 -0.07 -0.04 2.97 2.32 2gzoA9 CYS 28 HB3 -0.32 -0.07 0.12 -0.04 2.97 2.66 2gzoA9 GLU 29 H -0.33 0.04 0.20 -0.55 8.60 7.96 2gzoA9 GLU 29 HA -0.13 0.15 0.40 -0.75 4.29 3.95 2gzoA9 GLU 29 HB2 -0.26 -0.10 0.02 -0.04 2.09 1.71 2gzoA9 GLU 29 HB3 -0.17 0.04 0.08 -0.04 1.99 1.91 2gzoA9 GLU 29 HG2 -0.26 0.04 -0.01 -0.04 2.34 2.07 2gzoA9 GLU 29 HG3 -0.26 0.02 0.02 -0.04 2.34 2.07 2gzoA9 HIS 30 H -0.06 0.20 0.19 -0.55 8.41 8.19 2gzoA9 HIS 30 HA -0.16 0.19 0.85 -0.75 4.63 4.76 2gzoA9 HIS 30 HB2 -0.12 0.11 -0.02 -0.04 3.26 3.19 2gzoA9 HIS 30 HB3 -0.10 -0.09 0.00 -0.04 3.20 2.98 2gzoA9 HIS 30 HD2 -0.06 -0.13 -0.23 -0.04 6.97 6.51 2gzoA9 HIS 30 HE1 -0.07 -0.10 -0.30 -0.04 7.75 7.24 2gzoA9 ASP 31 H -0.51 0.41 -0.03 -0.55 8.40 7.73 2gzoA9 ASP 31 HA -0.24 0.20 0.38 -0.75 4.63 4.22 2gzoA9 ASP 31 HB2 -0.14 0.06 -0.09 -0.04 2.71 2.50 2gzoA9 ASP 31 HB3 -0.17 -0.21 0.12 -0.04 2.70 2.40 2gzoA9 GLU 32 H -0.17 0.10 0.10 -0.55 8.60 8.09 2gzoA9 GLU 32 HA -0.09 0.08 0.17 -0.75 4.29 3.70 2gzoA9 GLU 32 HB2 -0.07 0.03 0.15 -0.04 2.09 2.16 2gzoA9 GLU 32 HB3 -0.09 -0.16 0.20 -0.04 1.99 1.89 2gzoA9 GLU 32 HG2 -0.04 0.02 0.01 -0.04 2.34 2.29 2gzoA9 GLU 32 HG3 -0.04 0.04 -0.16 -0.04 2.34 2.14 2gzoA9 LYS 33 H -0.12 -0.04 0.19 -0.55 8.42 7.89 2gzoA9 LYS 33 HA -0.04 0.29 0.79 -0.75 4.32 4.60 2gzoA9 LYS 33 HB2 -0.01 0.05 0.19 -0.04 1.87 2.06 2gzoA9 LYS 33 HB3 -0.02 0.05 -0.05 -0.04 1.79 1.73 2gzoA9 LYS 33 HG2 -0.03 -0.09 0.01 -0.04 1.46 1.31 2gzoA9 LYS 33 HG3 -0.01 -0.07 -0.18 -0.04 1.46 1.17 2gzoA9 LYS 33 HD2 0.01 0.05 0.00 -0.04 1.69 1.71 2gzoA9 LYS 33 HD3 -0.00 0.04 -0.02 -0.04 1.68 1.66 2gzoA9 LYS 33 HE2 0.03 -0.21 -0.04 -0.04 2.99 2.73 2gzoA9 LYS 33 HE3 0.02 0.07 -0.01 -0.04 2.99 3.03 2gzoA9 GLY 34 H -0.29 0.11 -0.13 -0.55 8.43 7.57 2gzoA9 GLY 34 HA2 -0.05 0.23 0.87 -0.51 4.01 4.55 2gzoA9 GLY 34 HA3 -0.10 -0.10 0.17 -0.51 4.01 3.47 2gzoA9 ALA 35 H -0.27 0.13 0.14 -0.55 8.40 7.85 2gzoA9 ALA 35 HA -0.23 0.14 0.74 -0.75 4.34 4.23 2gzoA9 ALA 35 HB3 -0.21 0.16 -0.25 -0.04 1.41 1.06 2gzoA9 MET 36 H -0.38 0.41 0.06 -0.55 8.47 8.02 2gzoA9 MET 36 HA -0.61 0.15 0.80 -0.75 4.52 4.11 2gzoA9 MET 36 HB2 -0.32 0.04 -0.15 -0.04 2.15 1.68 2gzoA9 MET 36 HB3 -0.33 -0.06 0.01 -0.04 2.03 1.61 2gzoA9 MET 36 HG2 -0.46 0.03 -0.03 -0.04 2.63 2.12 2gzoA9 MET 36 HG3 -0.21 0.03 -0.06 -0.04 2.56 2.28 2gzoA9 MET 36 HE3 -0.26 -0.01 -0.04 -0.04 2.10 1.74 2gzoA9 GLY 37 H -0.20 0.23 0.23 -0.55 8.43 8.15 2gzoA9 GLY 37 HA2 -0.02 0.03 0.50 -0.51 4.01 4.02 2gzoA9 GLY 37 HA3 -0.26 0.30 0.55 -0.51 4.01 4.09 2gzoA9 LEU 38 H 0.17 0.49 0.31 -0.55 8.37 8.79 2gzoA9 LEU 38 HA 0.30 0.11 0.86 -0.75 4.35 4.86 2gzoA9 LEU 38 HB2 0.17 0.02 0.19 -0.04 1.64 1.97 2gzoA9 LEU 38 HB3 0.22 -0.04 0.06 -0.04 1.64 1.84 2gzoA9 LEU 38 HG 0.36 -0.12 -0.06 -0.04 1.64 1.78 2gzoA9 LEU 38 HD13 0.23 0.03 -0.20 -0.04 0.93 0.95 2gzoA9 LEU 38 HD23 -0.22 0.05 -0.08 -0.04 0.89 0.60 2gzoA9 VAL 39 H 0.20 0.25 0.20 -0.55 8.24 8.34 2gzoA9 VAL 39 HA 0.15 0.16 0.61 -0.75 4.13 4.29 2gzoA9 VAL 39 HB 0.12 0.05 0.09 -0.04 2.12 2.34 2gzoA9 VAL 39 HG13 0.04 -0.05 -0.06 -0.04 0.97 0.86 2gzoA9 VAL 39 HG23 0.14 0.02 -0.03 -0.04 0.95 1.04 2gzoA9 ILE 40 H 0.08 0.56 0.29 -0.55 8.25 8.64 2gzoA9 ILE 40 HA 0.08 0.20 0.78 -0.75 4.18 4.49 2gzoA9 ILE 40 HB -0.10 0.08 0.15 -0.04 1.89 1.99 2gzoA9 ILE 40 HG12 0.07 0.01 -0.09 -0.04 1.49 1.44 2gzoA9 ILE 40 HG13 -0.08 0.03 -0.09 -0.04 1.21 1.03 2gzoA9 ILE 40 HG23 0.16 -0.00 -0.17 -0.04 0.93 0.87 2gzoA9 ILE 40 HD13 -0.08 -0.01 -0.14 -0.04 0.88 0.62 2gzoA9 ASN 41 H 0.04 -0.00 -0.25 -0.55 8.53 7.77 2gzoA9 ASN 41 HA 0.02 0.30 0.95 -0.75 4.76 5.26 2gzoA9 ASN 41 HB2 0.05 -0.09 0.09 -0.04 2.88 2.89 2gzoA9 ASN 41 HB3 0.03 -0.19 0.19 -0.04 2.79 2.78 2gzoA9 ASN 41 HD21 0.04 -0.06 0.06 -0.04 7.03 7.02 2gzoA9 ASN 41 HD22 0.06 0.05 0.02 -0.04 7.74 7.83 2gzoA9 LYS 42 H 0.01 0.04 -0.02 -0.55 8.42 7.90 2gzoA9 LYS 42 HA 0.03 0.17 0.58 -0.75 4.32 4.35 2gzoA9 LYS 42 HB2 0.02 0.14 -0.25 -0.04 1.87 1.74 2gzoA9 LYS 42 HB3 0.01 -0.07 0.05 -0.04 1.79 1.75 2gzoA9 LYS 42 HG2 0.01 -0.04 -0.05 -0.04 1.46 1.34 2gzoA9 LYS 42 HG3 0.01 0.05 -0.23 -0.04 1.46 1.25 2gzoA9 LYS 42 HD2 0.03 0.03 -0.03 -0.04 1.69 1.69 2gzoA9 LYS 42 HD3 0.02 0.03 -0.00 -0.04 1.68 1.69 2gzoA9 LYS 42 HE2 0.01 -0.03 -0.07 -0.04 2.99 2.86 2gzoA9 LYS 42 HE3 0.02 -0.01 -0.20 -0.04 2.99 2.76 2gzoA9 PRO 43 HA -0.02 0.15 0.78 -0.51 4.44 4.83 2gzoA9 PRO 43 HB2 0.10 -0.07 0.20 -0.04 2.28 2.47 2gzoA9 PRO 43 HB3 0.05 0.01 0.09 -0.04 2.02 2.14 2gzoA9 PRO 43 HG2 0.08 -0.04 0.20 -0.04 2.03 2.23 2gzoA9 PRO 43 HG3 0.07 0.04 0.05 -0.04 2.03 2.16 2gzoA9 PRO 43 HD2 0.05 0.29 0.16 -0.04 3.68 4.14 2gzoA9 PRO 43 HD3 0.04 0.09 -0.03 -0.04 3.65 3.72 2gzoA9 LEU 44 H 0.06 0.09 0.18 -0.55 8.37 8.14 2gzoA9 LEU 44 HA 0.03 0.25 0.72 -0.75 4.35 4.59 2gzoA9 LEU 44 HB2 0.03 -0.03 0.15 -0.04 1.64 1.75 2gzoA9 LEU 44 HB3 0.05 0.05 -0.12 -0.04 1.64 1.58 2gzoA9 LEU 44 HG 0.04 0.02 -0.32 -0.04 1.64 1.34 2gzoA9 LEU 44 HD13 0.03 0.01 -0.08 -0.04 0.93 0.86 2gzoA9 LEU 44 HD23 0.08 -0.02 -0.02 -0.04 0.89 0.88 2gzoA9 GLY 45 H 0.03 0.18 0.11 -0.55 8.43 8.20 2gzoA9 GLY 45 HA2 0.03 0.27 0.92 -0.51 4.01 4.73 2gzoA9 GLY 45 HA3 0.03 0.05 0.29 -0.51 4.01 3.87 2gzoA9 ILE 46 H 0.03 0.84 0.21 -0.55 8.25 8.78 2gzoA9 ILE 46 HA 0.02 0.07 0.82 -0.75 4.18 4.33 2gzoA9 ILE 46 HB 0.02 -0.03 0.09 -0.04 1.89 1.93 2gzoA9 ILE 46 HG12 0.02 0.00 -0.12 -0.04 1.49 1.35 2gzoA9 ILE 46 HG13 0.02 0.04 -0.16 -0.04 1.21 1.08 2gzoA9 ILE 46 HG23 0.01 -0.00 -0.11 -0.04 0.93 0.79 2gzoA9 ILE 46 HD13 0.01 -0.00 -0.24 -0.04 0.88 0.60 2gzoA9 GLU 47 H 0.01 0.16 0.22 -0.55 8.60 8.44 2gzoA9 GLU 47 HA 0.02 0.17 0.70 -0.75 4.29 4.42 2gzoA9 GLU 47 HB2 0.01 -0.07 0.12 -0.04 2.09 2.12 2gzoA9 GLU 47 HB3 0.01 -0.03 0.20 -0.04 1.99 2.14 2gzoA9 GLU 47 HG2 0.02 0.15 -0.05 -0.04 2.34 2.42 2gzoA9 GLU 47 HG3 0.02 0.11 0.02 -0.04 2.34 2.44 2gzoA9 VAL 48 H 0.01 0.28 0.24 -0.55 8.24 8.22 2gzoA9 VAL 48 HA 0.01 0.05 0.43 -0.75 4.13 3.86 2gzoA9 VAL 48 HB 0.01 0.00 0.16 -0.04 2.12 2.25 2gzoA9 VAL 48 HG13 0.01 0.04 0.07 -0.04 0.97 1.04 2gzoA9 VAL 48 HG23 0.00 0.04 -0.05 -0.04 0.95 0.90 2gzoA9 ASN 49 H 0.01 0.07 -0.34 -0.55 8.53 7.73 2gzoA9 ASN 49 HA 0.00 0.11 0.32 -0.75 4.76 4.44 2gzoA9 ASN 49 HB2 0.01 -0.05 0.08 -0.04 2.88 2.88 2gzoA9 ASN 49 HB3 0.00 0.09 0.03 -0.04 2.79 2.87 2gzoA9 ASN 49 HD21 0.01 0.01 0.04 -0.04 7.03 7.05 2gzoA9 ASN 49 HD22 0.01 0.07 0.04 -0.04 7.74 7.81 2gzoA9 SER 50 H 0.01 0.23 -0.11 -0.55 8.46 8.04 2gzoA9 SER 50 HA 0.00 0.10 0.36 -0.75 4.49 4.20 2gzoA9 SER 50 HB2 0.00 0.05 0.06 -0.04 3.95 4.03 2gzoA9 SER 50 HB3 0.00 0.04 0.04 -0.04 3.93 3.97 2gzoA9 LEU 51 H 0.00 0.23 -0.27 -0.55 8.37 7.79 2gzoA9 LEU 51 HA -0.00 0.05 0.39 -0.75 4.35 4.03 2gzoA9 LEU 51 HB2 0.01 0.08 0.20 -0.04 1.64 1.89 2gzoA9 LEU 51 HB3 0.00 0.01 -0.00 -0.04 1.64 1.61 2gzoA9 LEU 51 HG 0.00 0.02 -0.01 -0.04 1.64 1.61 2gzoA9 LEU 51 HD13 0.01 -0.02 -0.17 -0.04 0.93 0.70 2gzoA9 LEU 51 HD23 0.01 -0.03 0.02 -0.04 0.89 0.85 2gzoA9 LEU 52 H 0.00 0.64 -0.04 -0.55 8.37 8.42 2gzoA9 LEU 52 HA -0.00 -0.00 0.33 -0.75 4.35 3.92 2gzoA9 LEU 52 HB2 0.00 0.12 0.14 -0.04 1.64 1.86 2gzoA9 LEU 52 HB3 -0.00 -0.00 0.02 -0.04 1.64 1.61 2gzoA9 LEU 52 HG 0.00 0.11 0.05 -0.04 1.64 1.76 2gzoA9 LEU 52 HD13 0.00 -0.01 -0.02 -0.04 0.93 0.86 2gzoA9 LEU 52 HD23 -0.00 -0.01 0.02 -0.04 0.89 0.85 2gzoA9 GLU 53 H -0.00 0.34 -0.28 -0.55 8.60 8.11 2gzoA9 GLU 53 HA -0.00 0.07 0.40 -0.75 4.29 4.01 2gzoA9 GLU 53 HB2 -0.00 0.04 0.12 -0.04 2.09 2.20 2gzoA9 GLU 53 HB3 -0.00 -0.01 0.05 -0.04 1.99 1.99 2gzoA9 GLU 53 HG2 0.00 -0.04 0.01 -0.04 2.34 2.27 2gzoA9 GLU 53 HG3 0.00 0.38 0.13 -0.04 2.34 2.80 2gzoA9 GLN 54 H -0.00 0.42 -0.08 -0.55 8.47 8.26 2gzoA9 GLN 54 HA -0.01 0.12 0.62 -0.75 4.36 4.34 2gzoA9 GLN 54 HB2 -0.01 -0.04 0.04 -0.04 2.15 2.10 2gzoA9 GLN 54 HB3 -0.01 -0.03 0.09 -0.04 2.02 2.03 2gzoA9 GLN 54 HG2 -0.00 0.21 0.28 -0.04 2.40 2.84 2gzoA9 GLN 54 HG3 -0.01 0.02 -0.05 -0.04 2.39 2.31 2gzoA9 GLN 54 HE21 -0.01 0.02 -0.03 -0.04 6.97 6.90 2gzoA9 GLN 54 HE22 -0.01 -0.06 -0.07 -0.04 7.69 7.50 2gzoA9 MET 55 H -0.00 0.54 -0.10 -0.55 8.47 8.36 2gzoA9 MET 55 HA -0.01 0.03 0.42 -0.75 4.52 4.21 2gzoA9 MET 55 HB2 -0.00 0.07 0.04 -0.04 2.15 2.21 2gzoA9 MET 55 HB3 -0.01 -0.09 0.03 -0.04 2.03 1.92 2gzoA9 MET 55 HG2 -0.01 0.03 0.04 -0.04 2.63 2.66 2gzoA9 MET 55 HG3 -0.01 -0.12 -0.06 -0.04 2.56 2.34 2gzoA9 MET 55 HE3 -0.01 0.02 -0.09 -0.04 2.10 1.98 2gzoA9 ASP 56 H -0.00 0.17 -0.61 -0.55 8.40 7.40 2gzoA9 ASP 56 HA -0.00 -0.10 0.37 -0.75 4.63 4.14 2gzoA9 ASP 56 HB2 -0.00 0.11 0.18 -0.04 2.71 2.95 2gzoA9 ASP 56 HB3 -0.00 0.17 0.16 -0.04 2.70 2.99 2gzoA9 LEU 57 H -0.00 0.20 0.36 -0.55 8.37 8.39 2gzoA9 LEU 57 HA -0.00 0.14 0.65 -0.75 4.35 4.38 2gzoA9 LEU 57 HB2 -0.01 0.01 -0.03 -0.04 1.64 1.58 2gzoA9 LEU 57 HB3 -0.00 -0.01 -0.07 -0.04 1.64 1.52 2gzoA9 LEU 57 HG -0.01 0.12 -0.71 -0.04 1.64 1.01 2gzoA9 LEU 57 HD13 -0.01 -0.03 -0.07 -0.04 0.93 0.78 2gzoA9 LEU 57 HD23 -0.00 -0.01 0.06 -0.04 0.89 0.89 2gzoA9 PRO 58 HA -0.00 -0.00 0.59 -0.51 4.44 4.51 2gzoA9 PRO 58 HB2 -0.00 0.04 0.11 -0.04 2.28 2.39 2gzoA9 PRO 58 HB3 -0.00 0.02 0.05 -0.04 2.02 2.05 2gzoA9 PRO 58 HG2 -0.00 0.05 0.09 -0.04 2.03 2.12 2gzoA9 PRO 58 HG3 -0.00 0.04 0.02 -0.04 2.03 2.05 2gzoA9 PRO 58 HD2 -0.00 0.12 0.17 -0.04 3.68 3.92 2gzoA9 PRO 58 HD3 -0.00 0.18 0.18 -0.04 3.65 3.97 2gzoA9 THR 59 H -0.00 0.02 0.16 -0.55 8.28 7.91 2gzoA9 THR 59 HA -0.00 0.25 0.91 -0.75 4.39 4.80 2gzoA9 THR 59 HB -0.00 0.06 -0.13 -0.04 4.32 4.20 2gzoA9 THR 59 HG23 -0.00 0.00 0.03 -0.04 1.22 1.20 2gzoA9 GLU 60 H -0.00 -0.04 0.12 -0.55 8.60 8.13 2gzoA9 GLU 60 HA -0.00 0.08 0.35 -0.75 4.29 3.96 2gzoA9 GLU 60 HB2 0.00 -0.01 0.05 -0.04 2.09 2.09 2gzoA9 GLU 60 HB3 -0.00 0.26 0.28 -0.04 1.99 2.49 2gzoA9 GLU 60 HG2 -0.00 -0.07 -0.31 -0.04 2.34 1.92 2gzoA9 GLU 60 HG3 -0.00 0.00 -0.01 -0.04 2.34 2.30 2gzoA9 GLN 61 H -0.00 0.27 0.19 -0.55 8.47 8.38 2gzoA9 GLN 61 HA -0.00 0.09 0.50 -0.75 4.36 4.20 2gzoA9 GLN 61 HB2 -0.00 -0.12 0.12 -0.04 2.15 2.11 2gzoA9 GLN 61 HB3 -0.00 0.23 -0.01 -0.04 2.02 2.20 2gzoA9 GLN 61 HG2 -0.00 -0.03 -0.16 -0.04 2.40 2.18 2gzoA9 GLN 61 HG3 -0.00 0.00 -0.18 -0.04 2.39 2.17 2gzoA9 GLN 61 HE21 -0.00 0.00 -0.09 -0.04 6.97 6.84 2gzoA9 GLN 61 HE22 0.00 0.04 -0.05 -0.04 7.69 7.64 2gzoA9 VAL 62 H -0.00 0.20 0.13 -0.55 8.24 8.02 2gzoA9 VAL 62 HA -0.00 0.23 0.83 -0.75 4.13 4.43 2gzoA9 VAL 62 HB -0.00 0.05 0.02 -0.04 2.12 2.14 2gzoA9 VAL 62 HG13 -0.00 0.01 -0.19 -0.04 0.97 0.74 2gzoA9 VAL 62 HG23 -0.00 -0.00 -0.03 -0.04 0.95 0.87 2gzoA9 SER 63 H -0.00 -0.01 -0.06 -0.55 8.46 7.84 2gzoA9 SER 63 HA -0.00 0.05 0.34 -0.75 4.49 4.12 2gzoA9 SER 63 HB2 -0.00 0.09 0.12 -0.04 3.95 4.12 2gzoA9 SER 63 HB3 -0.00 0.04 0.01 -0.04 3.93 3.94 2gzoA9 ALA 64 H -0.00 0.46 0.15 -0.55 8.40 8.46 2gzoA9 ALA 64 HA -0.00 0.06 0.40 -0.75 4.34 4.05 2gzoA9 ALA 64 HB3 -0.00 0.04 -0.05 -0.04 1.41 1.36 2gzoA9 ASP 65 H -0.00 0.23 0.05 -0.55 8.40 8.13 2gzoA9 ASP 65 HA -0.00 0.09 0.61 -0.75 4.63 4.57 2gzoA9 ASP 65 HB2 -0.00 -0.09 -0.04 -0.04 2.71 2.53 2gzoA9 ASP 65 HB3 -0.00 0.10 -0.06 -0.04 2.70 2.69 2gzoA9 LEU 66 H -0.00 0.18 0.04 -0.55 8.37 8.04 2gzoA9 LEU 66 HA -0.01 0.15 0.56 -0.75 4.35 4.30 2gzoA9 LEU 66 HB2 -0.01 0.02 0.06 -0.04 1.64 1.67 2gzoA9 LEU 66 HB3 -0.01 0.06 0.10 -0.04 1.64 1.76 2gzoA9 LEU 66 HG -0.01 0.03 -0.24 -0.04 1.64 1.38 2gzoA9 LEU 66 HD13 -0.01 0.01 -0.06 -0.04 0.93 0.83 2gzoA9 LEU 66 HD23 -0.00 -0.04 0.00 -0.04 0.89 0.81 2gzoA9 ALA 67 H -0.00 -0.00 -0.30 -0.55 8.40 7.54 2gzoA9 ALA 67 HA -0.01 0.24 0.33 -0.75 4.34 4.14 2gzoA9 ALA 67 HB3 -0.00 0.03 -0.10 -0.04 1.41 1.30 2gzoA9 MET 68 H -0.01 0.33 -0.11 -0.55 8.47 8.12 2gzoA9 MET 68 HA 0.00 -0.04 0.61 -0.75 4.52 4.34 2gzoA9 MET 68 HB2 -0.00 -0.01 0.07 -0.04 2.15 2.17 2gzoA9 MET 68 HB3 -0.01 0.11 0.17 -0.04 2.03 2.26 2gzoA9 MET 68 HG2 0.00 0.04 0.00 -0.04 2.63 2.63 2gzoA9 MET 68 HG3 0.00 0.07 -0.12 -0.04 2.56 2.47 2gzoA9 MET 68 HE3 0.01 0.01 -0.05 -0.04 2.10 2.03 2gzoA9 GLY 69 H 0.02 0.19 0.18 -0.55 8.43 8.27 2gzoA9 GLY 69 HA2 0.03 0.33 0.82 -0.51 4.01 4.68 2gzoA9 GLY 69 HA3 0.05 -0.02 0.25 -0.51 4.01 3.78 2gzoA9 SER 70 H 0.03 0.06 0.15 -0.55 8.46 8.16 2gzoA9 SER 70 HA 0.02 -0.05 0.54 -0.75 4.49 4.25 2gzoA9 SER 70 HB2 0.02 0.34 0.12 -0.04 3.95 4.39 2gzoA9 SER 70 HB3 0.02 -0.00 0.28 -0.04 3.93 4.19 2gzoA9 GLN 71 H 0.05 -0.06 -0.44 -0.55 8.47 7.48 2gzoA9 GLN 71 HA 0.05 0.20 0.78 -0.75 4.36 4.64 2gzoA9 GLN 71 HB2 0.06 0.16 -0.15 -0.04 2.15 2.18 2gzoA9 GLN 71 HB3 0.10 -0.06 0.01 -0.04 2.02 2.03 2gzoA9 GLN 71 HG2 0.08 -0.06 0.19 -0.04 2.40 2.58 2gzoA9 GLN 71 HG3 0.07 0.03 0.08 -0.04 2.39 2.52 2gzoA9 GLN 71 HE21 0.12 -0.16 0.15 -0.04 6.97 7.04 2gzoA9 GLN 71 HE22 0.14 0.13 0.12 -0.04 7.69 8.04 2gzoA9 VAL 72 H 0.04 0.34 0.00 -0.55 8.24 8.07 2gzoA9 VAL 72 HA 0.04 0.22 0.79 -0.75 4.13 4.42 2gzoA9 VAL 72 HB 0.02 -0.03 0.11 -0.04 2.12 2.17 2gzoA9 VAL 72 HG13 0.00 0.02 -0.10 -0.04 0.97 0.85 2gzoA9 VAL 72 HG23 0.03 -0.05 -0.03 -0.04 0.95 0.87 2gzoA9 LEU 73 H 0.02 0.71 0.47 -0.55 8.37 9.03 2gzoA9 LEU 73 HA 0.04 0.14 0.90 -0.75 4.35 4.68 2gzoA9 LEU 73 HB2 0.05 0.02 0.07 -0.04 1.64 1.74 2gzoA9 LEU 73 HB3 0.06 -0.03 0.17 -0.04 1.64 1.80 2gzoA9 LEU 73 HG 0.05 0.18 0.04 -0.04 1.64 1.88 2gzoA9 LEU 73 HD13 0.07 -0.06 -0.27 -0.04 0.93 0.62 2gzoA9 LEU 73 HD23 0.07 -0.01 -0.02 -0.04 0.89 0.89 2gzoA9 MET 74 H 0.06 0.22 0.21 -0.55 8.47 8.41 2gzoA9 MET 74 HA -0.02 0.00 1.06 -0.75 4.52 4.81 2gzoA9 MET 74 HB2 -0.02 0.10 0.07 -0.04 2.15 2.26 2gzoA9 MET 74 HB3 0.01 0.01 -0.04 -0.04 2.03 1.97 2gzoA9 MET 74 HG2 0.11 -0.03 0.07 -0.04 2.63 2.73 2gzoA9 MET 74 HG3 0.11 -0.08 -0.23 -0.04 2.56 2.32 2gzoA9 MET 74 HE3 0.17 0.00 -0.04 -0.04 2.10 2.19 2gzoA9 GLY 75 H -0.03 0.78 0.03 -0.55 8.43 8.67 2gzoA9 GLY 75 HA2 0.13 0.18 0.74 -0.51 4.01 4.55 2gzoA9 GLY 75 HA3 0.06 0.06 0.14 -0.51 4.01 3.76 2gzoA9 GLY 76 H 0.01 0.06 -0.33 -0.55 8.43 7.63 2gzoA9 GLY 76 HA2 -0.27 0.04 0.28 -0.51 4.01 3.55 2gzoA9 GLY 76 HA3 0.01 0.23 0.61 -0.51 4.01 4.35 2gzoA9 PRO 77 HA -0.14 0.11 0.47 -0.51 4.44 4.37 2gzoA9 PRO 77 HB2 -0.14 0.03 0.25 -0.04 2.28 2.38 2gzoA9 PRO 77 HB3 -0.12 0.07 0.09 -0.04 2.02 2.02 2gzoA9 PRO 77 HG2 -0.33 0.09 0.09 -0.04 2.03 1.84 2gzoA9 PRO 77 HG3 -0.24 0.03 0.04 -0.04 2.03 1.81 2gzoA9 PRO 77 HD2 -0.56 0.13 0.09 -0.04 3.68 3.30 2gzoA9 PRO 77 HD3 -0.82 0.07 0.13 -0.04 3.65 2.99 2gzoA9 VAL 78 H -0.18 0.42 0.01 -0.55 8.24 7.94 2gzoA9 VAL 78 HA -0.07 0.15 0.60 -0.75 4.13 4.05 2gzoA9 VAL 78 HB -0.11 -0.01 0.06 -0.04 2.12 2.02 2gzoA9 VAL 78 HG13 -0.00 0.04 -0.22 -0.04 0.97 0.74 2gzoA9 VAL 78 HG23 -0.61 0.02 0.02 -0.04 0.95 0.35 2gzoA9 SER 79 H -0.07 0.47 -0.37 -0.55 8.46 7.94 2gzoA9 SER 79 HA -0.05 0.05 0.30 -0.75 4.49 4.04 2gzoA9 SER 79 HB2 -0.04 0.08 0.10 -0.04 3.95 4.05 2gzoA9 SER 79 HB3 -0.03 0.04 0.07 -0.04 3.93 3.96 2gzoA9 GLN 80 H -0.05 0.34 0.25 -0.55 8.47 8.46 2gzoA9 GLN 80 HA -0.06 0.06 0.67 -0.75 4.36 4.29 2gzoA9 GLN 80 HB2 -0.03 0.06 -0.16 -0.04 2.15 1.98 2gzoA9 GLN 80 HB3 -0.02 -0.02 0.10 -0.04 2.02 2.03 2gzoA9 GLN 80 HG2 -0.02 -0.02 -0.21 -0.04 2.40 2.11 2gzoA9 GLN 80 HG3 -0.03 0.02 0.01 -0.04 2.39 2.35 2gzoA9 GLN 80 HE21 -0.02 0.02 -0.01 -0.04 6.97 6.92 2gzoA9 GLN 80 HE22 -0.01 -0.00 -0.02 -0.04 7.69 7.62 2gzoA9 ASP 81 H -0.08 0.20 0.08 -0.55 8.40 8.06 2gzoA9 ASP 81 HA -0.00 0.17 0.60 -0.75 4.63 4.64 2gzoA9 ASP 81 HB2 -0.13 0.11 -0.20 -0.04 2.71 2.45 2gzoA9 ASP 81 HB3 -0.23 0.01 0.01 -0.04 2.70 2.45 2gzoA9 ARG 82 H 0.08 0.14 0.18 -0.55 8.46 8.31 2gzoA9 ARG 82 HA 0.02 0.15 0.76 -0.75 4.34 4.50 2gzoA9 ARG 82 HB2 0.07 0.06 0.14 -0.04 1.90 2.13 2gzoA9 ARG 82 HB3 0.05 0.02 0.07 -0.04 1.80 1.90 2gzoA9 ARG 82 HG2 0.17 -0.07 0.15 -0.04 1.67 1.87 2gzoA9 ARG 82 HG3 0.19 0.05 -0.10 -0.04 1.67 1.76 2gzoA9 ARG 82 HD2 0.08 -0.01 0.01 -0.04 3.22 3.26 2gzoA9 ARG 82 HD3 0.07 0.02 0.03 -0.04 3.22 3.30 2gzoA9 GLY 83 H 0.01 0.14 0.25 -0.55 8.43 8.28 2gzoA9 GLY 83 HA2 -0.09 0.24 1.02 -0.51 4.01 4.66 2gzoA9 GLY 83 HA3 -0.10 0.06 0.58 -0.51 4.01 4.04 2gzoA9 PHE 84 H -0.49 0.48 0.36 -0.55 8.34 8.13 2gzoA9 PHE 84 HA -0.01 0.11 0.93 -0.75 4.62 4.91 2gzoA9 PHE 84 HB2 0.02 0.12 0.11 -0.04 3.15 3.36 2gzoA9 PHE 84 HB3 0.03 -0.01 -0.09 -0.04 3.06 2.95 2gzoA9 PHE 84 HD2 0.07 0.03 -0.29 -0.04 7.28 7.06 2gzoA9 PHE 84 HE2 0.12 -0.02 -0.11 -0.04 7.38 7.33 2gzoA9 PHE 84 HZ 0.06 -0.10 -0.10 -0.04 7.32 7.13 2gzoA9 VAL 85 H 0.16 0.78 0.43 -0.55 8.24 9.07 2gzoA9 VAL 85 HA -0.06 0.15 1.11 -0.75 4.13 4.57 2gzoA9 VAL 85 HB -0.10 -0.04 0.09 -0.04 2.12 2.03 2gzoA9 VAL 85 HG13 -0.46 0.04 -0.10 -0.04 0.97 0.41 2gzoA9 VAL 85 HG23 -0.11 -0.03 -0.12 -0.04 0.95 0.65 2gzoA9 LEU 86 H -0.12 0.72 0.41 -0.55 8.37 8.83 2gzoA9 LEU 86 HA 0.13 0.19 1.05 -0.75 4.35 4.97 2gzoA9 LEU 86 HB2 -0.09 -0.03 0.13 -0.04 1.64 1.61 2gzoA9 LEU 86 HB3 0.01 -0.00 -0.02 -0.04 1.64 1.59 2gzoA9 LEU 86 HG 0.53 -0.00 -0.09 -0.04 1.64 2.04 2gzoA9 LEU 86 HD13 0.34 0.01 -0.11 -0.04 0.93 1.13 2gzoA9 LEU 86 HD23 0.29 -0.03 -0.18 -0.04 0.89 0.93 2gzoA9 HIS 87 H 0.14 0.66 0.34 -0.55 8.41 9.01 2gzoA9 HIS 87 HA 0.02 0.14 0.85 -0.75 4.63 4.89 2gzoA9 HIS 87 HB2 0.29 -0.04 -0.40 -0.04 3.26 3.07 2gzoA9 HIS 87 HB3 0.18 -0.03 -0.15 -0.04 3.20 3.16 2gzoA9 HIS 87 HD2 0.59 0.01 0.21 -0.04 6.97 7.74 2gzoA9 HIS 87 HE1 -0.62 0.00 0.14 -0.04 7.75 7.23 2gzoA9 THR 88 H -0.27 0.25 0.18 -0.55 8.28 7.90 2gzoA9 THR 88 HA -0.10 -0.00 0.71 -0.75 4.39 4.24 2gzoA9 THR 88 HB -0.18 0.11 0.02 -0.04 4.32 4.23 2gzoA9 THR 88 HG23 -0.03 -0.00 0.10 -0.04 1.22 1.24 2gzoA9 SER 89 H -0.12 0.12 0.16 -0.55 8.46 8.07 2gzoA9 SER 89 HA -0.04 0.07 0.31 -0.75 4.49 4.07 2gzoA9 SER 89 HB2 -0.01 0.05 -0.05 -0.04 3.95 3.90 2gzoA9 SER 89 HB3 0.00 0.02 -0.15 -0.04 3.93 3.76 2gzoA9 GLN 90 H -0.10 0.25 0.04 -0.55 8.47 8.11 2gzoA9 GLN 90 HA -0.04 0.02 0.29 -0.75 4.36 3.88 2gzoA9 GLN 90 HB2 -0.13 -0.06 -0.38 -0.04 2.15 1.55 2gzoA9 GLN 90 HB3 -0.12 0.01 -0.03 -0.04 2.02 1.85 2gzoA9 GLN 90 HG2 -0.05 -0.06 0.06 -0.04 2.40 2.31 2gzoA9 GLN 90 HG3 -0.06 0.18 0.23 -0.04 2.39 2.70 2gzoA9 GLN 90 HE21 -0.06 0.02 0.03 -0.04 6.97 6.91 2gzoA9 GLN 90 HE22 -0.07 -0.04 -0.01 -0.04 7.69 7.54 2gzoA9 PRO 91 HA -0.44 0.06 0.66 -0.51 4.44 4.20 2gzoA9 PRO 91 HB2 -0.48 0.06 0.14 -0.04 2.28 1.96 2gzoA9 PRO 91 HB3 -0.34 0.03 0.09 -0.04 2.02 1.76 2gzoA9 PRO 91 HG2 -0.08 0.17 0.08 -0.04 2.03 2.16 2gzoA9 PRO 91 HG3 -0.17 -0.00 -0.00 -0.04 2.03 1.82 2gzoA9 PRO 91 HD2 -0.30 0.22 0.20 -0.04 3.68 3.76 2gzoA9 PRO 91 HD3 -0.21 0.05 0.08 -0.04 3.65 3.53 2gzoA9 TYR 92 H -0.77 0.16 0.19 -0.55 8.29 7.32 2gzoA9 TYR 92 HA -0.08 0.04 0.35 -0.75 4.56 4.12 2gzoA9 TYR 92 HB2 0.01 0.08 0.01 -0.04 3.06 3.12 2gzoA9 TYR 92 HB3 -0.03 0.01 0.04 -0.04 2.98 2.95 2gzoA9 TYR 92 HD2 -0.02 0.07 -0.07 -0.04 7.15 7.09 2gzoA9 TYR 92 HE2 -0.02 -0.00 0.00 -0.04 6.85 6.79 2gzoA9 TRP 93 H 0.29 0.15 0.02 -0.55 7.97 7.88 2gzoA9 TRP 93 HA 0.09 0.19 0.64 -0.75 4.62 4.79 2gzoA9 TRP 93 HB2 0.05 0.08 -0.05 -0.04 3.23 3.27 2gzoA9 TRP 93 HB3 0.04 -0.24 0.14 -0.04 3.23 3.13 2gzoA9 TRP 93 HD1 0.01 -0.03 -0.00 -0.04 7.22 7.15 2gzoA9 TRP 93 HE1 -0.04 -0.00 -0.06 -0.04 10.20 10.06 2gzoA9 TRP 93 HE3 -0.03 -0.03 -0.11 -0.04 7.59 7.37 2gzoA9 TRP 93 HZ2 -0.09 0.04 -0.17 -0.04 7.44 7.17 2gzoA9 TRP 93 HZ3 -0.49 -0.05 -0.13 -0.04 7.13 6.42 2gzoA9 TRP 93 HH2 -0.11 0.02 -0.10 -0.04 7.19 6.96 2gzoA9 ALA 94 H 0.29 0.09 0.09 -0.55 8.40 8.33 2gzoA9 ALA 94 HA 0.13 0.08 0.45 -0.75 4.34 4.25 2gzoA9 ALA 94 HB3 0.06 0.00 0.12 -0.04 1.41 1.55 2gzoA9 ASN 95 H 0.13 0.10 0.08 -0.55 8.53 8.29 2gzoA9 ASN 95 HA 0.07 0.21 0.93 -0.75 4.76 5.21 2gzoA9 ASN 95 HB2 0.04 0.03 0.03 -0.04 2.88 2.95 2gzoA9 ASN 95 HB3 0.06 -0.25 0.24 -0.04 2.79 2.80 2gzoA9 ASN 95 HD21 0.02 -0.10 -0.10 -0.04 7.03 6.81 2gzoA9 ASN 95 HD22 -0.01 0.00 -0.15 -0.04 7.74 7.54 2gzoA9 SER 96 H 0.07 0.25 0.14 -0.55 8.46 8.37 2gzoA9 SER 96 HA 0.12 0.44 0.92 -0.75 4.49 5.22 2gzoA9 SER 96 HB2 0.08 -0.00 0.04 -0.04 3.95 4.02 2gzoA9 SER 96 HB3 0.10 0.02 0.03 -0.04 3.93 4.04 2gzoA9 THR 97 H 0.05 0.24 0.25 -0.55 8.28 8.27 2gzoA9 THR 97 HA -0.00 0.04 0.56 -0.75 4.39 4.24 2gzoA9 THR 97 HB 0.00 -0.07 0.15 -0.04 4.32 4.36 2gzoA9 THR 97 HG23 -0.05 0.06 -0.10 -0.04 1.22 1.09 2gzoA9 GLU 98 H -0.00 0.10 0.24 -0.55 8.60 8.39 2gzoA9 GLU 98 HA 0.01 0.17 0.75 -0.75 4.29 4.46 2gzoA9 GLU 98 HB2 0.00 0.07 0.12 -0.04 2.09 2.23 2gzoA9 GLU 98 HB3 -0.01 0.02 0.08 -0.04 1.99 2.04 2gzoA9 GLU 98 HG2 -0.01 -0.05 0.10 -0.04 2.34 2.34 2gzoA9 GLU 98 HG3 0.00 0.03 0.11 -0.04 2.34 2.44 2gzoA9 LEU 99 H -0.00 0.17 0.13 -0.55 8.37 8.13 2gzoA9 LEU 99 HA -0.02 0.04 0.28 -0.75 4.35 3.90 2gzoA9 LEU 99 HB2 -0.03 0.25 0.08 -0.04 1.64 1.89 2gzoA9 LEU 99 HB3 -0.05 0.02 0.18 -0.04 1.64 1.74 2gzoA9 LEU 99 HG -0.02 -0.12 -0.26 -0.04 1.64 1.20 2gzoA9 LEU 99 HD13 -0.03 0.02 -0.05 -0.04 0.93 0.82 2gzoA9 LEU 99 HD23 -0.03 0.01 0.02 -0.04 0.89 0.84 2gzoA9 GLY 100 H 0.01 0.06 -0.49 -0.55 8.43 7.46 2gzoA9 GLY 100 HA2 0.02 0.09 0.77 -0.51 4.01 4.38 2gzoA9 GLY 100 HA3 0.04 0.14 0.29 -0.51 4.01 3.96 2gzoA9 SER 101 H 0.01 0.28 0.18 -0.55 8.46 8.38 2gzoA9 SER 101 HA 0.02 0.12 0.50 -0.75 4.49 4.38 2gzoA9 SER 101 HB2 -0.00 0.05 0.10 -0.04 3.95 4.06 2gzoA9 SER 101 HB3 0.00 -0.00 0.12 -0.04 3.93 4.01 2gzoA9 GLY 102 H 0.05 -0.02 -0.17 -0.55 8.43 7.74 2gzoA9 GLY 102 HA2 0.11 0.08 0.73 -0.51 4.01 4.43 2gzoA9 GLY 102 HA3 0.05 -0.02 0.15 -0.51 4.01 3.68 2gzoA9 LEU 103 H 0.10 0.09 -0.02 -0.55 8.37 8.00 2gzoA9 LEU 103 HA 0.02 0.12 0.69 -0.75 4.35 4.43 2gzoA9 LEU 103 HB2 0.09 0.14 0.18 -0.04 1.64 2.01 2gzoA9 LEU 103 HB3 0.19 -0.06 -0.15 -0.04 1.64 1.57 2gzoA9 LEU 103 HG 0.19 0.08 -0.27 -0.04 1.64 1.60 2gzoA9 LEU 103 HD13 0.27 0.00 -0.10 -0.04 0.93 1.06 2gzoA9 LEU 103 HD23 0.16 -0.05 -0.22 -0.04 0.89 0.74 2gzoA9 MET 104 H 0.08 0.67 0.35 -0.55 8.47 9.01 2gzoA9 MET 104 HA 0.08 0.21 1.00 -0.75 4.52 5.06 2gzoA9 MET 104 HB2 0.05 -0.05 -0.15 -0.04 2.15 1.96 2gzoA9 MET 104 HB3 0.12 0.10 -0.19 -0.04 2.03 2.02 2gzoA9 MET 104 HG2 0.16 0.07 -0.02 -0.04 2.63 2.80 2gzoA9 MET 104 HG3 0.09 0.07 0.13 -0.04 2.56 2.80 2gzoA9 MET 104 HE3 0.05 0.00 -0.10 -0.04 2.10 2.01 2gzoA9 LEU 105 H 0.10 0.14 0.27 -0.55 8.37 8.33 2gzoA9 LEU 105 HA 0.15 0.29 1.12 -0.75 4.35 5.15 2gzoA9 LEU 105 HB2 0.03 -0.03 -0.06 -0.04 1.64 1.54 2gzoA9 LEU 105 HB3 -0.02 -0.06 0.00 -0.04 1.64 1.52 2gzoA9 LEU 105 HG 0.11 0.05 -0.03 -0.04 1.64 1.72 2gzoA9 LEU 105 HD13 -0.37 -0.02 -0.08 -0.04 0.93 0.42 2gzoA9 LEU 105 HD23 -0.04 -0.00 -0.05 -0.04 0.89 0.76 2gzoA9 THR 106 H 0.15 0.72 0.40 -0.55 8.28 9.00 2gzoA9 THR 106 HA 0.14 0.39 0.98 -0.75 4.39 5.14 2gzoA9 THR 106 HB 0.09 -0.05 0.06 -0.04 4.32 4.38 2gzoA9 THR 106 HG23 0.03 0.03 0.08 -0.04 1.22 1.32 2gzoA9 THR 107 H 0.05 0.26 0.28 -0.55 8.28 8.31 2gzoA9 THR 107 HA 0.06 0.14 0.93 -0.75 4.39 4.76 2gzoA9 THR 107 HB 0.04 -0.00 -0.04 -0.04 4.32 4.27 2gzoA9 THR 107 HG23 0.12 0.02 0.11 -0.04 1.22 1.42 2gzoA9 SER 108 H 0.02 0.17 0.22 -0.55 8.46 8.33 2gzoA9 SER 108 HA -0.00 0.04 0.37 -0.75 4.49 4.14 2gzoA9 SER 108 HB2 0.01 -0.01 -0.13 -0.04 3.95 3.78 2gzoA9 SER 108 HB3 -0.00 0.26 0.23 -0.04 3.93 4.38 2gzoA9 ARG 109 H -0.02 0.11 0.19 -0.55 8.46 8.18 2gzoA9 ARG 109 HA -0.07 0.07 0.47 -0.75 4.34 4.05 2gzoA9 ARG 109 HB2 -0.03 -0.11 0.22 -0.04 1.90 1.93 2gzoA9 ARG 109 HB3 -0.02 0.07 0.15 -0.04 1.80 1.96 2gzoA9 ARG 109 HG2 -0.01 -0.05 0.13 -0.04 1.67 1.70 2gzoA9 ARG 109 HG3 -0.01 0.03 -0.09 -0.04 1.67 1.56 2gzoA9 ARG 109 HD2 -0.01 0.02 0.05 -0.04 3.22 3.25 2gzoA9 ARG 109 HD3 0.00 0.04 0.03 -0.04 3.22 3.25 2gzoA9 ASP 110 H -0.06 0.18 0.11 -0.55 8.40 8.08 2gzoA9 ASP 110 HA -0.04 0.09 0.39 -0.75 4.63 4.32 2gzoA9 ASP 110 HB2 0.01 0.02 -0.09 -0.04 2.71 2.60 2gzoA9 ASP 110 HB3 -0.04 0.22 0.29 -0.04 2.70 3.12 2gzoA9 VAL 111 H -0.31 0.76 -0.44 -0.55 8.24 7.70 2gzoA9 VAL 111 HA -1.53 0.15 0.37 -0.75 4.13 2.37 2gzoA9 VAL 111 HB -0.94 -0.01 0.03 -0.04 2.12 1.16 2gzoA9 VAL 111 HG13 -0.28 0.06 -0.14 -0.04 0.97 0.57 2gzoA9 VAL 111 HG23 -1.41 0.01 -0.15 -0.04 0.95 -0.64 2gzoA9 LEU 112 H -0.23 0.10 -0.27 -0.55 8.37 7.43 2gzoA9 LEU 112 HA -0.13 0.11 0.23 -0.75 4.35 3.81 2gzoA9 LEU 112 HB2 -0.09 -0.13 0.05 -0.04 1.64 1.43 2gzoA9 LEU 112 HB3 -0.06 0.09 -0.10 -0.04 1.64 1.53 2gzoA9 LEU 112 HG -0.05 0.03 -0.04 -0.04 1.64 1.53 2gzoA9 LEU 112 HD13 -0.05 0.01 -0.06 -0.04 0.93 0.78 2gzoA9 LEU 112 HD23 -0.11 -0.04 -0.04 -0.04 0.89 0.66 2gzoA9 THR 113 H -0.10 0.02 -0.30 -0.55 8.28 7.36 2gzoA9 THR 113 HA -0.03 0.13 0.35 -0.75 4.39 4.08 2gzoA9 THR 113 HB -0.02 -0.05 0.05 -0.04 4.32 4.26 2gzoA9 THR 113 HG23 -0.02 -0.01 -0.05 -0.04 1.22 1.10 2gzoA9 ALA 114 H -0.11 0.17 -0.63 -0.55 8.40 7.29 2gzoA9 ALA 114 HA 0.09 0.09 0.48 -0.75 4.34 4.24 2gzoA9 ALA 114 HB3 0.29 0.03 0.02 -0.04 1.41 1.71 2gzoA9 ILE 115 H -0.07 0.33 -0.26 -0.55 8.25 7.69 2gzoA9 ILE 115 HA -0.07 0.06 0.42 -0.75 4.18 3.85 2gzoA9 ILE 115 HB -0.02 0.14 0.10 -0.04 1.89 2.06 2gzoA9 ILE 115 HG12 0.23 -0.02 -0.08 -0.04 1.49 1.58 2gzoA9 ILE 115 HG13 -0.14 0.35 -0.02 -0.04 1.21 1.35 2gzoA9 ILE 115 HG23 -0.02 -0.03 -0.13 -0.04 0.93 0.70 2gzoA9 ILE 115 HD13 0.04 -0.05 -0.12 -0.04 0.88 0.71 2gzoA9 GLY 116 H -0.02 0.20 -0.27 -0.55 8.43 7.79 2gzoA9 GLY 116 HA2 -0.03 -0.04 0.56 -0.51 4.01 3.99 2gzoA9 GLY 116 HA3 -0.01 0.23 0.38 -0.51 4.01 4.10 2gzoA9 SER 117 H 0.01 0.16 -0.99 -0.55 8.46 7.10 2gzoA9 SER 117 HA 0.00 0.15 0.84 -0.75 4.49 4.73 2gzoA9 SER 117 HB2 0.03 0.06 -0.00 -0.04 3.95 3.99 2gzoA9 SER 117 HB3 0.06 0.09 0.03 -0.04 3.93 4.07 2gzoA9 LYS 118 H 0.01 0.12 0.08 -0.55 8.42 8.08 2gzoA9 LYS 118 HA -0.02 0.15 0.86 -0.75 4.32 4.56 2gzoA9 LYS 118 HB2 -0.01 -0.00 0.07 -0.04 1.87 1.89 2gzoA9 LYS 118 HB3 -0.01 -0.01 0.21 -0.04 1.79 1.94 2gzoA9 LYS 118 HG2 -0.02 0.03 0.04 -0.04 1.46 1.47 2gzoA9 LYS 118 HG3 -0.02 -0.01 0.01 -0.04 1.46 1.40 2gzoA9 LYS 118 HD2 -0.03 -0.01 -0.45 -0.04 1.69 1.16 2gzoA9 LYS 118 HD3 -0.02 0.04 -0.08 -0.04 1.68 1.57 2gzoA9 LYS 118 HE2 -0.02 -0.01 0.03 -0.04 2.99 2.95 2gzoA9 LYS 118 HE3 -0.04 -0.00 -0.06 -0.04 2.99 2.85 2gzoA9 ARG 119 H -0.01 0.24 0.12 -0.55 8.46 8.26 2gzoA9 ARG 119 HA -0.04 0.11 0.54 -0.75 4.34 4.20 2gzoA9 ARG 119 HB2 0.14 0.02 -0.37 -0.04 1.90 1.64 2gzoA9 ARG 119 HB3 0.27 0.03 -0.09 -0.04 1.80 1.96 2gzoA9 ARG 119 HG2 -0.22 -0.05 -0.05 -0.04 1.67 1.32 2gzoA9 ARG 119 HG3 -0.43 -0.02 0.12 -0.04 1.67 1.31 2gzoA9 ARG 119 HD2 -0.20 -0.01 0.09 -0.04 3.22 3.06 2gzoA9 ARG 119 HD3 -0.05 0.02 0.01 -0.04 3.22 3.16 2gzoA9 SER 120 H -0.01 0.06 0.07 -0.55 8.46 8.04 2gzoA9 SER 120 HA 0.16 0.21 0.81 -0.75 4.49 4.92 2gzoA9 SER 120 HB2 -0.02 0.05 -0.08 -0.04 3.95 3.87 2gzoA9 SER 120 HB3 -0.17 0.03 -0.01 -0.04 3.93 3.74 2gzoA9 PRO 121 HA -0.03 0.12 0.54 -0.51 4.44 4.56 2gzoA9 PRO 121 HB2 -0.09 -0.07 0.06 -0.04 2.28 2.15 2gzoA9 PRO 121 HB3 -0.09 0.04 0.03 -0.04 2.02 1.96 2gzoA9 PRO 121 HG2 -0.34 -0.01 0.11 -0.04 2.03 1.75 2gzoA9 PRO 121 HG3 -0.15 0.09 0.01 -0.04 2.03 1.94 2gzoA9 PRO 121 HD2 0.00 0.03 0.27 -0.04 3.68 3.94 2gzoA9 PRO 121 HD3 0.24 0.51 0.41 -0.04 3.65 4.76 2gzoA9 ASP 122 H -0.01 0.11 0.08 -0.55 8.40 8.03 2gzoA9 ASP 122 HA 0.03 0.25 0.89 -0.75 4.63 5.05 2gzoA9 ASP 122 HB2 0.03 0.05 -0.11 -0.04 2.71 2.63 2gzoA9 ASP 122 HB3 0.04 -0.21 0.18 -0.04 2.70 2.67 2gzoA9 LYS 123 H 0.03 -0.00 0.19 -0.55 8.42 8.09 2gzoA9 LYS 123 HA 0.07 0.29 0.83 -0.75 4.32 4.75 2gzoA9 LYS 123 HB2 -0.02 -0.08 0.00 -0.04 1.87 1.73 2gzoA9 LYS 123 HB3 -0.11 0.02 0.05 -0.04 1.79 1.70 2gzoA9 LYS 123 HG2 0.11 -0.08 -0.10 -0.04 1.46 1.35 2gzoA9 LYS 123 HG3 0.18 -0.01 -0.03 -0.04 1.46 1.56 2gzoA9 LYS 123 HD2 0.16 -0.06 -0.13 -0.04 1.69 1.62 2gzoA9 LYS 123 HD3 0.13 0.05 -0.09 -0.04 1.68 1.72 2gzoA9 LYS 123 HE2 0.10 0.08 -0.06 -0.04 2.99 3.06 2gzoA9 LYS 123 HE3 0.08 0.15 -0.16 -0.04 2.99 3.02 2gzoA9 PHE 124 H 0.01 0.24 0.10 -0.55 8.34 8.13 2gzoA9 PHE 124 HA 0.04 0.18 0.63 -0.75 4.62 4.71 2gzoA9 PHE 124 HB2 0.11 0.13 -0.25 -0.04 3.15 3.09 2gzoA9 PHE 124 HB3 0.05 -0.00 -0.04 -0.04 3.06 3.02 2gzoA9 PHE 124 HD2 0.25 -0.00 -0.06 -0.04 7.28 7.43 2gzoA9 PHE 124 HE2 0.17 -0.04 -0.12 -0.04 7.38 7.35 2gzoA9 PHE 124 HZ -0.05 -0.06 -0.11 -0.04 7.32 7.07 2gzoA9 LEU 125 H -0.55 0.65 0.34 -0.55 8.37 8.26 2gzoA9 LEU 125 HA -0.04 0.22 0.85 -0.75 4.35 4.62 2gzoA9 LEU 125 HB2 -0.35 0.01 -0.22 -0.04 1.64 1.05 2gzoA9 LEU 125 HB3 -0.16 -0.10 0.04 -0.04 1.64 1.37 2gzoA9 LEU 125 HG 0.34 0.02 -0.05 -0.04 1.64 1.91 2gzoA9 LEU 125 HD13 0.10 -0.02 -0.30 -0.04 0.93 0.67 2gzoA9 LEU 125 HD23 0.09 -0.01 0.13 -0.04 0.89 1.06 2gzoA9 VAL 126 H -0.01 0.34 0.20 -0.55 8.24 8.22 2gzoA9 VAL 126 HA -0.11 0.16 1.05 -0.75 4.13 4.48 2gzoA9 VAL 126 HB 0.02 -0.04 0.10 -0.04 2.12 2.17 2gzoA9 VAL 126 HG13 -0.03 -0.00 -0.16 -0.04 0.97 0.74 2gzoA9 VAL 126 HG23 0.02 0.01 -0.19 -0.04 0.95 0.74 2gzoA9 ALA 127 H -0.12 0.52 0.28 -0.55 8.40 8.54 2gzoA9 ALA 127 HA -0.04 0.34 0.95 -0.75 4.34 4.83 2gzoA9 ALA 127 HB3 -0.11 -0.00 -0.15 -0.04 1.41 1.11 2gzoA9 LEU 128 H -0.06 0.61 0.46 -0.55 8.37 8.83 2gzoA9 LEU 128 HA -0.11 0.04 0.86 -0.75 4.35 4.39 2gzoA9 LEU 128 HB2 -0.05 -0.06 0.17 -0.04 1.64 1.66 2gzoA9 LEU 128 HB3 -0.06 0.03 0.03 -0.04 1.64 1.60 2gzoA9 LEU 128 HG -0.03 0.13 -0.01 -0.04 1.64 1.68 2gzoA9 LEU 128 HD13 -0.02 -0.00 -0.07 -0.04 0.93 0.79 2gzoA9 LEU 128 HD23 -0.05 0.01 -0.12 -0.04 0.89 0.69 2gzoA9 GLY 129 H -0.13 0.08 0.07 -0.55 8.43 7.91 2gzoA9 GLY 129 HA2 -0.21 0.12 0.15 -0.51 4.01 3.56 2gzoA9 GLY 129 HA3 -0.18 0.18 0.44 -0.51 4.01 3.94 2gzoA9 TYR 130 H -0.36 0.27 0.16 -0.55 8.29 7.81 2gzoA9 TYR 130 HA 0.08 0.07 0.46 -0.75 4.56 4.41 2gzoA9 TYR 130 HB2 0.24 0.00 0.19 -0.04 3.06 3.44 2gzoA9 TYR 130 HB3 0.29 0.08 -0.12 -0.04 2.98 3.19 2gzoA9 TYR 130 HD2 0.21 0.30 -0.17 -0.04 7.15 7.44 2gzoA9 TYR 130 HE2 0.10 -0.07 0.01 -0.04 6.85 6.84 2gzoA9 ALA 131 H 0.50 0.57 0.40 -0.55 8.40 9.31 2gzoA9 ALA 131 HA 0.24 0.16 0.68 -0.75 4.34 4.67 2gzoA9 ALA 131 HB3 0.44 -0.01 0.10 -0.04 1.41 1.90 2gzoA9 GLY 132 H 0.13 0.20 0.10 -0.55 8.43 8.31 2gzoA9 GLY 132 HA2 0.20 0.10 0.21 -0.51 4.01 4.00 2gzoA9 GLY 132 HA3 0.10 0.11 0.37 -0.51 4.01 4.08 2gzoA9 TRP 133 H 0.46 0.71 -0.17 -0.55 7.97 8.42 2gzoA9 TRP 133 HA 0.01 0.06 0.58 -0.75 4.62 4.52 2gzoA9 TRP 133 HB2 -0.04 0.04 0.14 -0.04 3.23 3.34 2gzoA9 TRP 133 HB3 -0.06 0.07 0.00 -0.04 3.23 3.20 2gzoA9 TRP 133 HD1 -0.05 -0.12 0.04 -0.04 7.22 7.05 2gzoA9 TRP 133 HE1 -0.09 0.02 -0.06 -0.04 10.20 10.03 2gzoA9 TRP 133 HE3 0.01 0.02 -0.08 -0.04 7.59 7.50 2gzoA9 TRP 133 HZ2 -0.26 0.08 -0.18 -0.04 7.44 7.04 2gzoA9 TRP 133 HZ3 -0.05 -0.00 -0.27 -0.04 7.13 6.78 2gzoA9 TRP 133 HH2 -0.28 0.04 -0.24 -0.04 7.19 6.67 2gzoA9 SER 134 H 0.30 0.17 0.00 -0.55 8.46 8.39 2gzoA9 SER 134 HA 0.11 0.10 0.41 -0.75 4.49 4.36 2gzoA9 SER 134 HB2 0.26 -0.04 0.03 -0.04 3.95 4.16 2gzoA9 SER 134 HB3 0.14 0.09 -0.02 -0.04 3.93 4.10 2gzoA9 LYS 135 H 0.11 -0.05 -0.41 -0.55 8.42 7.52 2gzoA9 LYS 135 HA 0.02 0.13 0.40 -0.75 4.32 4.12 2gzoA9 LYS 135 HB2 0.02 -0.06 0.02 -0.04 1.87 1.80 2gzoA9 LYS 135 HB3 -0.01 0.05 0.03 -0.04 1.79 1.83 2gzoA9 LYS 135 HG2 -0.08 -0.03 -0.03 -0.04 1.46 1.28 2gzoA9 LYS 135 HG3 -0.05 0.06 -0.12 -0.04 1.46 1.32 2gzoA9 LYS 135 HD2 -0.01 0.05 0.05 -0.04 1.69 1.73 2gzoA9 LYS 135 HD3 -0.02 -0.04 -0.02 -0.04 1.68 1.56 2gzoA9 LYS 135 HE2 -0.06 -0.01 -0.01 -0.04 2.99 2.86 2gzoA9 LYS 135 HE3 -0.04 0.03 0.00 -0.04 2.99 2.94 2gzoA9 ASN 136 H 0.00 0.17 -0.29 -0.55 8.53 7.86 2gzoA9 ASN 136 HA -0.04 0.11 0.43 -0.75 4.76 4.50 2gzoA9 ASN 136 HB2 -0.17 0.06 0.08 -0.04 2.88 2.80 2gzoA9 ASN 136 HB3 -0.18 -0.11 0.24 -0.04 2.79 2.70 2gzoA9 ASN 136 HD21 -0.09 0.05 -0.03 -0.04 7.03 6.91 2gzoA9 ASN 136 HD22 -0.07 0.03 -0.09 -0.04 7.74 7.57 2gzoA9 GLN 137 H 0.07 0.39 0.12 -0.55 8.47 8.51 2gzoA9 GLN 137 HA 0.10 -0.05 0.31 -0.75 4.36 3.96 2gzoA9 GLN 137 HB2 0.04 0.15 -0.26 -0.04 2.15 2.04 2gzoA9 GLN 137 HB3 0.02 0.20 0.03 -0.04 2.02 2.22 2gzoA9 GLN 137 HG2 0.03 -0.05 0.19 -0.04 2.40 2.52 2gzoA9 GLN 137 HG3 0.03 -0.08 0.07 -0.04 2.39 2.37 2gzoA9 GLN 137 HE21 0.02 -0.02 0.02 -0.04 6.97 6.95 2gzoA9 GLN 137 HE22 0.01 -0.02 0.01 -0.04 7.69 7.65 2gzoA9 LEU 138 H 0.04 0.04 -0.40 -0.55 8.37 7.50 2gzoA9 LEU 138 HA 0.04 0.21 0.73 -0.75 4.35 4.58 2gzoA9 LEU 138 HB2 0.00 -0.02 -0.01 -0.04 1.64 1.57 2gzoA9 LEU 138 HB3 0.02 -0.07 0.13 -0.04 1.64 1.68 2gzoA9 LEU 138 HG 0.01 0.31 -0.39 -0.04 1.64 1.53 2gzoA9 LEU 138 HD13 0.00 -0.01 -0.02 -0.04 0.93 0.86 2gzoA9 LEU 138 HD23 0.02 0.04 0.04 -0.04 0.89 0.95 2gzoA9 GLU 139 H 0.12 0.21 -0.17 -0.55 8.60 8.22 2gzoA9 GLU 139 HA 0.28 0.04 0.14 -0.75 4.29 3.99 2gzoA9 GLU 139 HB2 0.10 0.09 0.04 -0.04 2.09 2.27 2gzoA9 GLU 139 HB3 0.22 0.05 0.02 -0.04 1.99 2.24 2gzoA9 GLU 139 HG2 0.07 -0.06 0.04 -0.04 2.34 2.35 2gzoA9 GLU 139 HG3 0.40 -0.05 0.04 -0.04 2.34 2.69 2gzoA9 GLN 140 H 0.07 0.09 -0.19 -0.55 8.47 7.89 2gzoA9 GLN 140 HA 0.06 0.12 0.28 -0.75 4.36 4.06 2gzoA9 GLN 140 HB2 0.04 0.03 0.10 -0.04 2.15 2.28 2gzoA9 GLN 140 HB3 0.04 -0.02 0.07 -0.04 2.02 2.07 2gzoA9 GLN 140 HG2 0.03 0.03 0.06 -0.04 2.40 2.48 2gzoA9 GLN 140 HG3 0.03 0.04 0.02 -0.04 2.39 2.44 2gzoA9 GLN 140 HE21 0.03 0.02 -0.03 -0.04 6.97 6.95 2gzoA9 GLN 140 HE22 0.04 0.02 -0.08 -0.04 7.69 7.62 2gzoA9 GLU 141 H 0.05 0.25 -0.21 -0.55 8.60 8.15 2gzoA9 GLU 141 HA 0.06 0.07 0.17 -0.75 4.29 3.84 2gzoA9 GLU 141 HB2 0.05 0.03 0.04 -0.04 2.09 2.16 2gzoA9 GLU 141 HB3 0.04 -0.02 0.06 -0.04 1.99 2.04 2gzoA9 GLU 141 HG2 0.03 -0.04 0.05 -0.04 2.34 2.34 2gzoA9 GLU 141 HG3 0.04 0.19 0.11 -0.04 2.34 2.63 2gzoA9 LEU 142 H 0.06 0.33 -0.26 -0.55 8.37 7.95 2gzoA9 LEU 142 HA 0.12 0.07 0.35 -0.75 4.35 4.14 2gzoA9 LEU 142 HB2 -0.10 -0.03 0.01 -0.04 1.64 1.48 2gzoA9 LEU 142 HB3 -0.05 -0.02 -0.00 -0.04 1.64 1.53 2gzoA9 LEU 142 HG 0.07 0.45 0.07 -0.04 1.64 2.19 2gzoA9 LEU 142 HD13 -0.29 -0.01 -0.35 -0.04 0.93 0.24 2gzoA9 LEU 142 HD23 -0.07 -0.06 -0.14 -0.04 0.89 0.58 2gzoA9 ALA 143 H 0.10 0.37 -0.33 -0.55 8.40 7.99 2gzoA9 ALA 143 HA 0.18 0.00 0.25 -0.75 4.34 4.02 2gzoA9 ALA 143 HB3 0.11 0.03 0.04 -0.04 1.41 1.55 2gzoA9 ASP 144 H 0.11 0.28 -0.03 -0.55 8.40 8.21 2gzoA9 ASP 144 HA 0.11 0.15 0.42 -0.75 4.63 4.56 2gzoA9 ASP 144 HB2 0.07 0.00 0.08 -0.04 2.71 2.82 2gzoA9 ASP 144 HB3 0.07 -0.03 0.08 -0.04 2.70 2.77 2gzoA9 ASN 145 H 0.17 0.16 -0.58 -0.55 8.53 7.73 2gzoA9 ASN 145 HA 0.10 -0.00 0.37 -0.75 4.76 4.47 2gzoA9 ASN 145 HB2 0.14 0.12 0.12 -0.04 2.88 3.21 2gzoA9 ASN 145 HB3 0.29 0.11 0.14 -0.04 2.79 3.29 2gzoA9 ASN 145 HD21 0.08 -0.01 -0.00 -0.04 7.03 7.06 2gzoA9 ASN 145 HD22 0.07 -0.02 -0.04 -0.04 7.74 7.72 2gzoA9 SER 146 H 0.32 0.17 -0.07 -0.55 8.46 8.33 2gzoA9 SER 146 HA 0.01 0.14 0.45 -0.75 4.49 4.34 2gzoA9 SER 146 HB2 -0.13 -0.07 -0.17 -0.04 3.95 3.54 2gzoA9 SER 146 HB3 -0.19 -0.15 0.14 -0.04 3.93 3.70 2gzoA9 TRP 147 H 0.34 0.32 0.14 -0.55 7.97 8.22 2gzoA9 TRP 147 HA 0.07 0.28 1.02 -0.75 4.62 5.24 2gzoA9 TRP 147 HB2 0.11 0.10 0.13 -0.04 3.23 3.53 2gzoA9 TRP 147 HB3 0.11 -0.06 -0.02 -0.04 3.23 3.22 2gzoA9 TRP 147 HD1 0.06 0.21 0.05 -0.04 7.22 7.50 2gzoA9 TRP 147 HE1 0.02 -0.03 -0.10 -0.04 10.20 10.04 2gzoA9 TRP 147 HE3 0.09 -0.07 -0.58 -0.04 7.59 6.98 2gzoA9 TRP 147 HZ2 -0.00 -0.05 -0.10 -0.04 7.44 7.24 2gzoA9 TRP 147 HZ3 0.06 0.23 -0.04 -0.04 7.13 7.34 2gzoA9 TRP 147 HH2 0.02 -0.10 -0.20 -0.04 7.19 6.87 2gzoA9 LEU 148 H 0.28 0.55 0.37 -0.55 8.37 9.02 2gzoA9 LEU 148 HA 0.15 0.21 0.97 -0.75 4.35 4.93 2gzoA9 LEU 148 HB2 0.11 -0.09 0.10 -0.04 1.64 1.72 2gzoA9 LEU 148 HB3 0.10 0.06 -0.03 -0.04 1.64 1.73 2gzoA9 LEU 148 HG 0.07 0.01 -0.05 -0.04 1.64 1.63 2gzoA9 LEU 148 HD13 0.08 0.05 -0.04 -0.04 0.93 0.98 2gzoA9 LEU 148 HD23 0.06 -0.04 -0.23 -0.04 0.89 0.64 2gzoA9 THR 149 H 0.12 0.21 0.15 -0.55 8.28 8.21 2gzoA9 THR 149 HA 0.25 0.38 1.06 -0.75 4.39 5.33 2gzoA9 THR 149 HB 0.08 0.03 -0.06 -0.04 4.32 4.33 2gzoA9 THR 149 HG23 0.20 0.00 -0.21 -0.04 1.22 1.17 2gzoA9 ILE 150 H 0.19 0.36 0.28 -0.55 8.25 8.53 2gzoA9 ILE 150 HA 0.06 0.20 0.72 -0.75 4.18 4.41 2gzoA9 ILE 150 HB 0.09 0.05 0.11 -0.04 1.89 2.10 2gzoA9 ILE 150 HG12 0.19 -0.05 -0.08 -0.04 1.49 1.50 2gzoA9 ILE 150 HG13 0.37 -0.07 -0.09 -0.04 1.21 1.38 2gzoA9 ILE 150 HG23 0.06 0.03 -0.17 -0.04 0.93 0.81 2gzoA9 ILE 150 HD13 0.08 0.03 -0.03 -0.04 0.88 0.93 2gzoA9 PRO 151 HA -0.05 0.25 0.64 -0.51 4.44 4.76 2gzoA9 PRO 151 HB2 -0.03 -0.02 -0.04 -0.04 2.28 2.15 2gzoA9 PRO 151 HB3 -0.04 0.06 0.15 -0.04 2.02 2.15 2gzoA9 PRO 151 HG2 -0.02 0.05 0.07 -0.04 2.03 2.10 2gzoA9 PRO 151 HG3 -0.02 0.07 0.10 -0.04 2.03 2.14 2gzoA9 PRO 151 HD2 0.02 0.09 0.19 -0.04 3.68 3.95 2gzoA9 PRO 151 HD3 0.01 0.18 0.22 -0.04 3.65 4.02 2gzoA9 ALA 152 H -0.17 0.33 0.19 -0.55 8.40 8.21 2gzoA9 ALA 152 HA -0.76 0.17 0.79 -0.75 4.34 3.79 2gzoA9 ALA 152 HB3 -0.74 -0.02 -0.17 -0.04 1.41 0.44 2gzoA9 ASP 153 H 0.07 0.23 0.11 -0.55 8.40 8.26 2gzoA9 ASP 153 HA 0.03 0.25 0.85 -0.75 4.63 5.00 2gzoA9 ASP 153 HB2 -0.01 0.22 -0.07 -0.04 2.71 2.80 2gzoA9 ASP 153 HB3 0.01 -0.02 0.04 -0.04 2.70 2.69 2gzoA9 HIS 154 H 0.21 0.38 0.18 -0.55 8.41 8.63 2gzoA9 HIS 154 HA 0.18 0.08 0.27 -0.75 4.63 4.41 2gzoA9 HIS 154 HB2 0.13 -0.05 0.03 -0.04 3.26 3.34 2gzoA9 HIS 154 HB3 0.09 0.26 -0.03 -0.04 3.20 3.48 2gzoA9 HIS 154 HD2 0.04 0.15 0.28 -0.04 6.97 7.39 2gzoA9 HIS 154 HE1 0.11 0.02 0.02 -0.04 7.75 7.87 2gzoA9 ALA 155 H -0.58 0.11 -0.11 -0.55 8.40 7.27 2gzoA9 ALA 155 HA -0.04 0.10 0.52 -0.75 4.34 4.16 2gzoA9 ALA 155 HB3 -0.23 0.04 0.06 -0.04 1.41 1.24 2gzoA9 LEU 156 H -0.08 0.03 -0.14 -0.55 8.37 7.63 2gzoA9 LEU 156 HA -0.02 0.08 0.32 -0.75 4.35 3.98 2gzoA9 LEU 156 HB2 0.01 -0.03 0.06 -0.04 1.64 1.63 2gzoA9 LEU 156 HB3 0.05 -0.04 0.04 -0.04 1.64 1.65 2gzoA9 LEU 156 HG -0.17 0.07 -0.17 -0.04 1.64 1.33 2gzoA9 LEU 156 HD13 -0.03 0.02 0.07 -0.04 0.93 0.95 2gzoA9 LEU 156 HD23 0.08 0.00 -0.06 -0.04 0.89 0.87 2gzoA9 LEU 157 H -0.04 0.13 -0.58 -0.55 8.37 7.34 2gzoA9 LEU 157 HA -0.35 0.10 0.42 -0.75 4.35 3.77 2gzoA9 LEU 157 HB2 -0.07 0.18 0.08 -0.04 1.64 1.79 2gzoA9 LEU 157 HB3 -0.60 -0.04 0.05 -0.04 1.64 1.01 2gzoA9 LEU 157 HG -0.09 -0.02 -0.06 -0.04 1.64 1.44 2gzoA9 LEU 157 HD13 -0.64 -0.03 -0.14 -0.04 0.93 0.07 2gzoA9 LEU 157 HD23 -1.19 0.01 -0.15 -0.04 0.89 -0.48 2gzoA9 PHE 158 H 0.05 0.23 -0.06 -0.55 8.34 8.01 2gzoA9 PHE 158 HA 0.02 0.22 0.53 -0.75 4.62 4.64 2gzoA9 PHE 158 HB2 0.06 0.03 0.12 -0.04 3.15 3.32 2gzoA9 PHE 158 HB3 0.06 0.01 -0.03 -0.04 3.06 3.06 2gzoA9 PHE 158 HD2 0.06 0.10 -0.01 -0.04 7.28 7.38 2gzoA9 PHE 158 HE2 0.05 -0.02 -0.12 -0.04 7.38 7.25 2gzoA9 PHE 158 HZ 0.11 -0.03 -0.11 -0.04 7.32 7.24 2gzoA9 ASP 159 H 0.15 0.12 0.18 -0.55 8.40 8.31 2gzoA9 ASP 159 HA 0.12 0.08 0.27 -0.75 4.63 4.34 2gzoA9 ASP 159 HB2 0.12 -0.05 0.11 -0.04 2.71 2.85 2gzoA9 ASP 159 HB3 0.04 -0.05 0.17 -0.04 2.70 2.83 2gzoA9 ILE 160 H 0.03 0.74 -0.08 -0.55 8.25 8.39 2gzoA9 ILE 160 HA 0.05 0.07 0.60 -0.75 4.18 4.14 2gzoA9 ILE 160 HB 0.01 0.11 0.12 -0.04 1.89 2.09 2gzoA9 ILE 160 HG12 0.00 0.02 -0.13 -0.04 1.49 1.34 2gzoA9 ILE 160 HG13 0.01 -0.00 -0.26 -0.04 1.21 0.92 2gzoA9 ILE 160 HG23 0.05 -0.03 -0.14 -0.04 0.93 0.76 2gzoA9 ILE 160 HD13 0.06 -0.03 -0.14 -0.04 0.88 0.72 2gzoA9 ASN 161 H 0.08 0.39 -0.01 -0.55 8.53 8.44 2gzoA9 ASN 161 HA 0.03 0.20 0.85 -0.75 4.76 5.09 2gzoA9 ASN 161 HB2 0.06 0.23 -0.00 -0.04 2.88 3.12 2gzoA9 ASN 161 HB3 0.05 -0.05 0.21 -0.04 2.79 2.96 2gzoA9 ASN 161 HD21 0.03 0.13 0.04 -0.04 7.03 7.19 2gzoA9 ASN 161 HD22 0.02 -0.04 0.01 -0.04 7.74 7.70 2gzoA9 HIS 162 H 0.09 0.41 0.11 -0.55 8.41 8.47 2gzoA9 HIS 162 HA 0.03 0.15 0.41 -0.75 4.63 4.46 2gzoA9 HIS 162 HB2 0.02 0.06 -0.45 -0.04 3.26 2.85 2gzoA9 HIS 162 HB3 0.02 -0.24 -0.00 -0.04 3.20 2.93 2gzoA9 HIS 162 HD2 0.01 -0.16 0.14 -0.04 6.97 6.92 2gzoA9 HIS 162 HE1 0.01 0.02 0.05 -0.04 7.75 7.78 2gzoA9 GLU 163 H 0.28 0.23 0.16 -0.55 8.60 8.72 2gzoA9 GLU 163 HA 0.09 0.14 0.46 -0.75 4.29 4.22 2gzoA9 GLU 163 HB2 0.10 -0.00 0.10 -0.04 2.09 2.24 2gzoA9 GLU 163 HB3 0.05 0.06 0.09 -0.04 1.99 2.14 2gzoA9 GLU 163 HG2 0.16 -0.04 0.15 -0.04 2.34 2.57 2gzoA9 GLU 163 HG3 0.07 0.06 0.07 -0.04 2.34 2.49 2gzoA9 ASP 164 H 0.13 0.11 -0.19 -0.55 8.40 7.90 2gzoA9 ASP 164 HA 0.08 0.07 0.29 -0.75 4.63 4.32 2gzoA9 ASP 164 HB2 0.03 0.03 0.05 -0.04 2.71 2.79 2gzoA9 ASP 164 HB3 0.06 0.04 -0.06 -0.04 2.70 2.70 2gzoA9 ARG 165 H 0.11 0.30 -0.69 -0.55 8.46 7.64 2gzoA9 ARG 165 HA 0.03 0.03 0.41 -0.75 4.34 4.05 2gzoA9 ARG 165 HB2 0.03 0.11 0.18 -0.04 1.90 2.18 2gzoA9 ARG 165 HB3 0.06 0.03 0.19 -0.04 1.80 2.03 2gzoA9 ARG 165 HG2 -0.17 -0.15 -0.13 -0.04 1.67 1.18 2gzoA9 ARG 165 HG3 -0.11 0.11 0.19 -0.04 1.67 1.83 2gzoA9 ARG 165 HD2 -0.22 0.06 0.16 -0.04 3.22 3.19 2gzoA9 ARG 165 HD3 -0.06 0.23 0.17 -0.04 3.22 3.53 2gzoA9 TRP 166 H 0.24 0.35 -0.07 -0.55 7.97 7.94 2gzoA9 TRP 166 HA -0.07 0.08 0.44 -0.75 4.62 4.32 2gzoA9 TRP 166 HB2 -0.04 0.01 0.15 -0.04 3.23 3.31 2gzoA9 TRP 166 HB3 -0.02 0.05 0.07 -0.04 3.23 3.29 2gzoA9 TRP 166 HD1 -0.03 -0.02 -0.12 -0.04 7.22 7.02 2gzoA9 TRP 166 HE1 -0.03 0.04 -0.04 -0.04 10.20 10.13 2gzoA9 TRP 166 HE3 -0.05 0.01 0.04 -0.04 7.59 7.55 2gzoA9 TRP 166 HZ2 -0.05 0.22 0.06 -0.04 7.44 7.63 2gzoA9 TRP 166 HZ3 -0.04 -0.06 0.05 -0.04 7.13 7.04 2gzoA9 TRP 166 HH2 -0.05 -0.02 0.08 -0.04 7.19 7.16 2gzoA9 GLN 167 H 0.20 0.21 -0.22 -0.55 8.47 8.10 2gzoA9 GLN 167 HA 0.15 0.08 0.36 -0.75 4.36 4.19 2gzoA9 GLN 167 HB2 0.09 -0.00 0.06 -0.04 2.15 2.26 2gzoA9 GLN 167 HB3 0.08 0.06 0.11 -0.04 2.02 2.23 2gzoA9 GLN 167 HG2 0.06 0.02 0.02 -0.04 2.40 2.46 2gzoA9 GLN 167 HG3 0.05 -0.03 -0.02 -0.04 2.39 2.35 2gzoA9 GLN 167 HE21 0.07 -0.02 -0.07 -0.04 6.97 6.91 2gzoA9 GLN 167 HE22 0.06 -0.00 -0.13 -0.04 7.69 7.58 2gzoA9 GLN 168 H 0.08 0.73 -0.08 -0.55 8.47 8.65 2gzoA9 GLN 168 HA 0.00 0.03 0.43 -0.75 4.36 4.07 2gzoA9 GLN 168 HB2 0.03 0.14 0.18 -0.04 2.15 2.46 2gzoA9 GLN 168 HB3 0.00 -0.10 -0.03 -0.04 2.02 1.85 2gzoA9 GLN 168 HG2 0.12 -0.03 0.01 -0.04 2.40 2.46 2gzoA9 GLN 168 HG3 0.11 0.19 0.05 -0.04 2.39 2.70 2gzoA9 GLN 168 HE21 0.17 -0.03 -0.12 -0.04 6.97 6.95 2gzoA9 GLN 168 HE22 0.17 -0.03 -0.11 -0.04 7.69 7.68 2gzoA9 ALA 169 H -0.03 0.60 -0.09 -0.55 8.40 8.33 2gzoA9 ALA 169 HA -0.05 -0.03 0.36 -0.75 4.34 3.86 2gzoA9 ALA 169 HB3 -0.26 0.02 0.09 -0.04 1.41 1.22 2gzoA9 SER 170 H 0.04 0.51 -0.37 -0.55 8.46 8.10 2gzoA9 SER 170 HA 0.05 0.01 0.34 -0.75 4.49 4.14 2gzoA9 SER 170 HB2 0.26 0.02 0.09 -0.04 3.95 4.28 2gzoA9 SER 170 HB3 0.12 0.10 0.11 -0.04 3.93 4.22 2gzoA9 ARG 171 H 0.02 0.35 -0.27 -0.55 8.46 8.01 2gzoA9 ARG 171 HA 0.01 0.07 0.56 -0.75 4.34 4.22 2gzoA9 ARG 171 HB2 -0.03 0.02 0.09 -0.04 1.90 1.95 2gzoA9 ARG 171 HB3 -0.03 -0.05 0.05 -0.04 1.80 1.73 2gzoA9 ARG 171 HG2 0.01 -0.02 -0.01 -0.04 1.67 1.60 2gzoA9 ARG 171 HG3 0.02 0.22 0.06 -0.04 1.67 1.93 2gzoA9 ARG 171 HD2 -0.01 -0.02 -0.01 -0.04 3.22 3.14 2gzoA9 ARG 171 HD3 0.01 -0.06 -0.03 -0.04 3.22 3.11 2gzoA9 SER 172 H -0.01 0.23 -0.46 -0.55 8.46 7.68 2gzoA9 SER 172 HA -0.01 -0.07 0.32 -0.75 4.49 3.98 2gzoA9 SER 172 HB2 0.00 -0.07 0.10 -0.04 3.95 3.94 2gzoA9 SER 172 HB3 0.02 0.09 -0.01 -0.04 3.93 3.98 2gzoA9 LEU 173 H -0.07 0.03 -0.10 -0.55 8.37 7.68 2gzoA9 LEU 173 HA -0.08 0.15 0.60 -0.75 4.35 4.27 2gzoA9 LEU 173 HB2 -0.10 0.22 -0.23 -0.04 1.64 1.49 2gzoA9 LEU 173 HB3 -0.19 -0.17 0.05 -0.04 1.64 1.29 2gzoA9 LEU 173 HG -0.19 0.02 -0.22 -0.04 1.64 1.21 2gzoA9 LEU 173 HD13 -0.08 -0.00 0.02 -0.04 0.93 0.83 2gzoA9 LEU 173 HD23 -0.16 -0.01 -0.01 -0.04 0.89 0.67 2gzoA9 GLY 174 H -0.27 0.16 0.11 -0.55 8.43 7.88 2gzoA9 GLY 174 HA2 -0.15 -0.03 0.28 -0.51 4.01 3.60 2gzoA9 GLY 174 HA3 -0.12 0.23 0.89 -0.51 4.01 4.50 2gzoA9 PHE 175 H 0.00 0.18 0.11 -0.55 8.34 8.07 2gzoA9 PHE 175 HA -0.05 0.19 0.81 -0.75 4.62 4.81 2gzoA9 PHE 175 HB2 -0.06 -0.08 0.03 -0.04 3.15 3.00 2gzoA9 PHE 175 HB3 -0.05 0.04 -0.07 -0.04 3.06 2.93 2gzoA9 PHE 175 HD2 -0.03 -0.03 -0.07 -0.04 7.28 7.11 2gzoA9 PHE 175 HE2 -0.02 -0.01 -0.05 -0.04 7.38 7.26 2gzoA9 PHE 175 HZ -0.01 -0.01 -0.04 -0.04 7.32 7.21 2gzoA9 GLU 176 H 0.04 0.25 0.11 -0.55 8.60 8.44 2gzoA9 GLU 176 HA -0.16 0.14 0.92 -0.75 4.29 4.44 2gzoA9 GLU 176 HB2 -0.10 0.04 0.01 -0.04 2.09 1.99 2gzoA9 GLU 176 HB3 -0.10 0.03 -0.07 -0.04 1.99 1.81 2gzoA9 GLU 176 HG2 -0.03 -0.03 0.04 -0.04 2.34 2.28 2gzoA9 GLU 176 HG3 -0.01 0.03 -0.07 -0.04 2.34 2.24 2gzoA9 ALA 177 H -0.16 0.14 -0.03 -0.55 8.40 7.79 2gzoA9 ALA 177 HA 0.05 0.17 0.50 -0.75 4.34 4.31 2gzoA9 ALA 177 HB3 0.07 -0.00 -0.02 -0.04 1.41 1.42 2gzoA9 TRP 178 H 0.24 0.12 0.09 -0.55 7.97 7.88 2gzoA9 TRP 178 HA 0.02 0.03 0.29 -0.75 4.62 4.21 2gzoA9 TRP 178 HB2 0.03 0.07 -0.24 -0.04 3.23 3.04 2gzoA9 TRP 178 HB3 0.02 0.03 0.24 -0.04 3.23 3.47 2gzoA9 TRP 178 HD1 0.03 -0.02 0.07 -0.04 7.22 7.26 2gzoA9 TRP 178 HE1 0.05 0.00 0.02 -0.04 10.20 10.24 2gzoA9 TRP 178 HE3 0.02 0.02 0.02 -0.04 7.59 7.61 2gzoA9 TRP 178 HZ2 0.04 0.00 0.03 -0.04 7.44 7.48 2gzoA9 TRP 178 HZ3 0.02 0.02 0.02 -0.04 7.13 7.14 2gzoA9 TRP 178 HH2 0.02 0.03 0.03 -0.04 7.19 7.23 2gzoA9 GLN 179 H 0.16 0.04 -0.16 -0.55 8.47 7.96 2gzoA9 GLN 179 HA 0.09 0.20 0.89 -0.75 4.36 4.78 2gzoA9 GLN 179 HB2 0.07 -0.06 0.11 -0.04 2.15 2.22 2gzoA9 GLN 179 HB3 0.05 0.05 -0.01 -0.04 2.02 2.07 2gzoA9 GLN 179 HG2 0.06 0.08 -0.03 -0.04 2.40 2.47 2gzoA9 GLN 179 HG3 0.08 -0.04 -0.15 -0.04 2.39 2.24 2gzoA9 GLN 179 HE21 0.05 0.02 -0.03 -0.04 6.97 6.96 2gzoA9 GLN 179 HE22 0.03 -0.01 -0.02 -0.04 7.69 7.66 2gzoA9 LEU 180 H 0.03 0.26 0.02 -0.55 8.37 8.13 2gzoA9 LEU 180 HA -0.02 -0.02 0.37 -0.75 4.35 3.92 2gzoA9 LEU 180 HB2 -0.02 -0.01 0.07 -0.04 1.64 1.64 2gzoA9 LEU 180 HB3 -0.05 0.09 -0.02 -0.04 1.64 1.62 2gzoA9 LEU 180 HG -0.15 -0.04 -0.03 -0.04 1.64 1.37 2gzoA9 LEU 180 HD13 -0.04 0.02 0.03 -0.04 0.93 0.90 2gzoA9 LEU 180 HD23 -0.13 0.00 0.01 -0.04 0.89 0.73 2gzoA9 SER 181 H -0.01 0.08 0.18 -0.55 8.46 8.15 2gzoA9 SER 181 HA 0.00 0.08 0.54 -0.75 4.49 4.35 2gzoA9 SER 181 HB2 -0.00 0.02 0.13 -0.04 3.95 4.06 2gzoA9 SER 181 HB3 -0.01 -0.01 0.07 -0.04 3.93 3.93 2gzoA9 THR 182 H -0.00 0.17 0.15 -0.55 8.28 8.05 2gzoA9 THR 182 HA -0.01 0.18 0.93 -0.75 4.39 4.74 2gzoA9 THR 182 HB -0.00 0.09 -0.13 -0.04 4.32 4.23 2gzoA9 THR 182 HG23 0.00 -0.01 0.06 -0.04 1.22 1.23 2gzoA9 GLN 183 H -0.01 0.21 0.07 -0.55 8.47 8.20 2gzoA9 GLN 183 HA -0.00 0.06 0.77 -0.75 4.36 4.43 2gzoA9 GLN 183 HB2 0.00 0.00 0.19 -0.04 2.15 2.30 2gzoA9 GLN 183 HB3 0.01 0.10 0.03 -0.04 2.02 2.12 2gzoA9 GLN 183 HG2 -0.01 0.01 -0.02 -0.04 2.40 2.33 2gzoA9 GLN 183 HG3 -0.01 -0.05 -0.11 -0.04 2.39 2.19 2gzoA9 GLN 183 HE21 -0.01 -0.01 -0.05 -0.04 6.97 6.86 2gzoA9 GLN 183 HE22 -0.01 0.00 -0.01 -0.04 7.69 7.63 2gzoA9 ALA 184 H 0.00 0.16 0.12 -0.55 8.40 8.14 2gzoA9 ALA 184 HA 0.01 0.11 0.52 -0.75 4.34 4.22 2gzoA9 ALA 184 HB3 0.01 -0.03 0.09 -0.04 1.41 1.44 2gzoA9 GLY 185 H 0.01 0.01 0.06 -0.55 8.43 7.96 2gzoA9 GLY 185 HA2 0.04 0.24 0.75 -0.51 4.01 4.52 2gzoA9 GLY 185 HA3 0.03 -0.01 0.31 -0.51 4.01 3.83 2gzoA9 HIS 186 H 0.09 0.19 0.09 -0.55 8.41 8.24 2gzoA9 HIS 186 HA -0.00 0.18 0.92 -0.75 4.63 4.97 2gzoA9 HIS 186 HB2 -0.00 0.08 -0.13 -0.04 3.26 3.17 2gzoA9 HIS 186 HB3 -0.00 -0.01 0.11 -0.04 3.20 3.25 2gzoA9 HIS 186 HD2 -0.00 0.05 -0.02 -0.04 6.97 6.95 2gzoA9 HIS 186 HE1 -0.00 0.00 -0.06 -0.04 7.75 7.64 2gzoA9 ALA 187 H -0.30 0.24 -0.00 -0.55 8.40 7.79 2gzoA9 ALA 187 HA -0.05 0.27 0.77 -0.75 4.34 4.57 2gzoA9 ALA 187 HB3 -0.07 0.02 0.01 -0.04 1.41 1.32