============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 4 0.840 9.239 -4.756 2.194 -99.200 -91.000 TYR 6 0.840 19.769 -4.536 -0.523 -99.200 -91.000 HIS 8 0.900 23.305 -0.690 -3.165 -99.200 -91.000 TYR 11 0.840 17.548 -5.318 -12.171 -99.200 -91.000 PHE 19 1.000 5.149 1.034 -7.919 -99.200 -91.000 HIS 29 0.900 8.334 0.103 3.559 -99.200 -91.000 TYR 58 0.840 5.915 -9.364 1.380 -99.200 -91.000 HIS 67 0.900 7.638 -5.748 -19.327 -99.200 -91.000 TYR 68 0.840 1.222 -5.916 -10.825 -99.200 -91.000 TRP 89 1.040 26.590 2.475 -25.815 -99.200 -91.000 TRP6 89 1.020 28.491 1.719 -27.070 -99.200 -91.000 TYR 96 0.840 33.821 0.936 -20.017 -99.200 -91.000 PHE 105 1.000 26.413 1.333 -5.844 -99.200 -91.000 PHE 110 1.000 23.878 5.079 -2.860 -99.200 -91.000 PHE 113 1.000 26.143 0.381 1.337 -99.200 -91.000 TYR 121 0.840 28.153 -8.183 4.333 -99.200 -91.000 PHE 122 1.000 28.923 -2.757 -0.906 -99.200 -91.000 PHE 133 1.000 36.299 -2.564 -6.977 -99.200 -91.000 HIS 139 0.900 45.548 1.200 -14.192 -99.200 -91.000 PHE 176 1.000 16.303 9.107 -14.333 -99.200 -91.000 TRP 190 1.040 27.734 12.372 -15.310 -99.200 -91.000 TRP6 190 1.020 28.104 13.775 -13.400 -99.200 -91.000 TYR 197 0.840 17.057 9.771 -21.264 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1g7oA9 MET 1 HA 0.01 -0.04 0.16 -0.75 4.52 3.89 1g7oA9 MET 1 HB2 -0.02 -0.03 0.10 -0.04 2.15 2.17 1g7oA9 MET 1 HB3 0.01 0.08 0.13 -0.04 2.03 2.21 1g7oA9 MET 1 HG2 0.08 -0.13 0.11 -0.04 2.63 2.65 1g7oA9 MET 1 HG3 0.03 -0.03 0.08 -0.04 2.56 2.60 1g7oA9 MET 1 HE3 0.20 0.02 0.00 -0.04 2.10 2.29 1g7oA9 LYS 2 H -0.05 0.62 0.23 -0.55 8.42 8.66 1g7oA9 LYS 2 HA -0.32 0.05 0.93 -0.75 4.32 4.23 1g7oA9 LYS 2 HB2 0.01 -0.09 0.02 -0.04 1.87 1.76 1g7oA9 LYS 2 HB3 -0.64 0.08 0.11 -0.04 1.79 1.30 1g7oA9 LYS 2 HG2 -0.10 0.02 -0.25 -0.04 1.46 1.10 1g7oA9 LYS 2 HG3 -0.01 0.11 -0.02 -0.04 1.46 1.50 1g7oA9 LYS 2 HD2 0.18 -0.04 -0.03 -0.04 1.69 1.75 1g7oA9 LYS 2 HD3 0.11 -0.01 -0.03 -0.04 1.68 1.70 1g7oA9 LYS 2 HE2 0.05 0.04 -0.04 -0.04 2.99 3.00 1g7oA9 LYS 2 HE3 0.10 -0.05 -0.03 -0.04 2.99 2.97 1g7oA9 LEU 3 H -0.44 0.71 0.14 -0.55 8.37 8.23 1g7oA9 LEU 3 HA 0.12 0.23 0.83 -0.75 4.35 4.77 1g7oA9 LEU 3 HB2 -0.00 -0.04 -0.14 -0.04 1.64 1.42 1g7oA9 LEU 3 HB3 -0.11 0.07 -0.20 -0.04 1.64 1.36 1g7oA9 LEU 3 HG -0.29 0.00 -0.22 -0.04 1.64 1.09 1g7oA9 LEU 3 HD13 -0.07 -0.03 -0.24 -0.04 0.93 0.55 1g7oA9 LEU 3 HD23 -0.25 0.01 -0.25 -0.04 0.89 0.37 1g7oA9 TYR 4 H 0.30 0.76 0.32 -0.55 8.29 9.12 1g7oA9 TYR 4 HA 0.02 0.22 0.80 -0.75 4.56 4.85 1g7oA9 TYR 4 HB2 -0.02 0.00 0.22 -0.04 3.06 3.23 1g7oA9 TYR 4 HB3 -0.02 -0.02 0.05 -0.04 2.98 2.95 1g7oA9 TYR 4 HD2 0.05 0.03 -0.05 -0.04 7.15 7.13 1g7oA9 TYR 4 HE2 0.12 0.01 -0.10 -0.04 6.85 6.84 1g7oA9 ILE 5 H -0.01 0.78 0.46 -0.55 8.25 8.94 1g7oA9 ILE 5 HA -0.19 0.05 0.73 -0.75 4.18 4.02 1g7oA9 ILE 5 HB -0.09 -0.03 -0.18 -0.04 1.89 1.55 1g7oA9 ILE 5 HG12 -0.05 0.05 -0.20 -0.04 1.49 1.25 1g7oA9 ILE 5 HG13 -0.06 0.14 -0.20 -0.04 1.21 1.05 1g7oA9 ILE 5 HG23 -0.04 0.01 -0.27 -0.04 0.93 0.59 1g7oA9 ILE 5 HD13 -0.04 -0.03 -0.26 -0.04 0.88 0.51 1g7oA9 TYR 6 H -0.23 0.26 0.05 -0.55 8.29 7.82 1g7oA9 TYR 6 HA -0.33 0.21 0.75 -0.75 4.56 4.43 1g7oA9 TYR 6 HB2 -0.58 -0.02 0.20 -0.04 3.06 2.62 1g7oA9 TYR 6 HB3 -1.13 -0.03 0.07 -0.04 2.98 1.85 1g7oA9 TYR 6 HD2 -0.18 0.07 -0.12 -0.04 7.15 6.88 1g7oA9 TYR 6 HE2 -0.04 -0.00 -0.14 -0.04 6.85 6.62 1g7oA9 ASP 7 H -0.14 0.20 0.01 -0.55 8.40 7.93 1g7oA9 ASP 7 HA -0.08 0.08 0.20 -0.75 4.63 4.08 1g7oA9 ASP 7 HB2 0.01 0.02 0.04 -0.04 2.71 2.74 1g7oA9 ASP 7 HB3 0.11 -0.06 0.05 -0.04 2.70 2.75 1g7oA9 HIS 8 H -0.62 -0.02 -0.32 -0.55 8.41 6.90 1g7oA9 HIS 8 HA -0.74 0.13 0.42 -0.75 4.63 3.69 1g7oA9 HIS 8 HB2 -2.67 0.06 0.04 -0.04 3.26 0.66 1g7oA9 HIS 8 HB3 -2.42 -0.02 0.05 -0.04 3.20 0.77 1g7oA9 HIS 8 HD2 -0.88 -0.06 -0.04 -0.04 6.97 5.95 1g7oA9 HIS 8 HE1 0.00 0.03 -0.06 -0.04 7.75 7.67 1g7oA9 CYS 9 H -0.46 0.49 -0.33 -0.55 8.50 7.66 1g7oA9 CYS 9 HA 0.09 0.12 0.49 -0.75 4.58 4.52 1g7oA9 CYS 9 HB2 -0.16 0.00 0.15 -0.04 2.97 2.93 1g7oA9 CYS 9 HB3 -0.14 -0.01 0.22 -0.04 2.97 3.00 1g7oA9 PRO 10 HA 0.09 0.16 0.34 -0.51 4.44 4.51 1g7oA9 PRO 10 HB2 0.21 -0.05 0.07 -0.04 2.28 2.47 1g7oA9 PRO 10 HB3 0.14 0.07 0.02 -0.04 2.02 2.20 1g7oA9 PRO 10 HG2 0.11 0.02 0.10 -0.04 2.03 2.21 1g7oA9 PRO 10 HG3 0.16 0.12 0.10 -0.04 2.03 2.38 1g7oA9 PRO 10 HD2 0.08 0.02 0.26 -0.04 3.68 3.99 1g7oA9 PRO 10 HD3 0.23 0.37 0.35 -0.04 3.65 4.56 1g7oA9 TYR 11 H 0.22 0.17 -0.25 -0.55 8.29 7.89 1g7oA9 TYR 11 HA 0.01 0.03 0.39 -0.75 4.56 4.24 1g7oA9 TYR 11 HB2 -0.02 0.16 0.19 -0.04 3.06 3.35 1g7oA9 TYR 11 HB3 -0.01 -0.04 0.15 -0.04 2.98 3.03 1g7oA9 TYR 11 HD2 0.01 -0.02 -0.01 -0.04 7.15 7.09 1g7oA9 TYR 11 HE2 0.01 0.04 0.02 -0.04 6.85 6.88 1g7oA9 CYS 12 H 0.07 0.46 -0.31 -0.55 8.50 8.17 1g7oA9 CYS 12 HA 0.02 -0.02 0.43 -0.75 4.58 4.25 1g7oA9 CYS 12 HB2 -0.07 -0.12 -0.02 -0.04 2.97 2.72 1g7oA9 CYS 12 HB3 -0.03 0.33 0.04 -0.04 2.97 3.27 1g7oA9 LEU 13 H 0.04 0.35 -0.29 -0.55 8.37 7.93 1g7oA9 LEU 13 HA 0.03 0.04 0.36 -0.75 4.35 4.02 1g7oA9 LEU 13 HB2 -0.01 0.09 0.16 -0.04 1.64 1.84 1g7oA9 LEU 13 HB3 -0.07 -0.02 0.04 -0.04 1.64 1.55 1g7oA9 LEU 13 HG 0.02 0.08 -0.03 -0.04 1.64 1.67 1g7oA9 LEU 13 HD13 -0.02 0.01 -0.02 -0.04 0.93 0.86 1g7oA9 LEU 13 HD23 0.02 0.02 -0.09 -0.04 0.89 0.80 1g7oA9 LYS 14 H 0.05 0.45 -0.04 -0.55 8.42 8.33 1g7oA9 LYS 14 HA 0.04 0.09 0.48 -0.75 4.32 4.17 1g7oA9 LYS 14 HB2 -0.06 0.05 0.15 -0.04 1.87 1.97 1g7oA9 LYS 14 HB3 -0.06 -0.08 -0.02 -0.04 1.79 1.58 1g7oA9 LYS 14 HG2 0.01 0.30 0.01 -0.04 1.46 1.74 1g7oA9 LYS 14 HG3 0.06 0.14 -0.02 -0.04 1.46 1.60 1g7oA9 LYS 14 HD2 0.04 0.01 -0.09 -0.04 1.69 1.61 1g7oA9 LYS 14 HD3 -0.41 -0.12 -0.02 -0.04 1.68 1.09 1g7oA9 LYS 14 HE2 -0.19 -0.03 -0.12 -0.04 2.99 2.61 1g7oA9 LYS 14 HE3 -0.06 0.04 -0.21 -0.04 2.99 2.72 1g7oA9 ALA 15 H 0.05 0.50 -0.27 -0.55 8.40 8.14 1g7oA9 ALA 15 HA 0.12 -0.01 0.34 -0.75 4.34 4.04 1g7oA9 ALA 15 HB3 0.12 0.02 0.03 -0.04 1.41 1.54 1g7oA9 ARG 16 H 0.09 0.69 0.01 -0.55 8.46 8.70 1g7oA9 ARG 16 HA 0.13 0.01 0.32 -0.75 4.34 4.05 1g7oA9 ARG 16 HB2 0.07 0.02 0.10 -0.04 1.90 2.05 1g7oA9 ARG 16 HB3 0.07 0.05 -0.05 -0.04 1.80 1.83 1g7oA9 ARG 16 HG2 0.01 -0.01 -0.02 -0.04 1.67 1.61 1g7oA9 ARG 16 HG3 0.02 0.09 -0.02 -0.04 1.67 1.72 1g7oA9 ARG 16 HD2 0.01 -0.09 -0.09 -0.04 3.22 3.00 1g7oA9 ARG 16 HD3 0.03 -0.01 -0.11 -0.04 3.22 3.08 1g7oA9 MET 17 H 0.10 0.65 -0.31 -0.55 8.47 8.37 1g7oA9 MET 17 HA 0.13 0.02 0.35 -0.75 4.52 4.26 1g7oA9 MET 17 HB2 0.17 0.01 0.06 -0.04 2.15 2.36 1g7oA9 MET 17 HB3 0.10 0.11 0.20 -0.04 2.03 2.40 1g7oA9 MET 17 HG2 0.09 -0.04 -0.21 -0.04 2.63 2.42 1g7oA9 MET 17 HG3 0.15 -0.01 -0.04 -0.04 2.56 2.63 1g7oA9 MET 17 HE3 0.12 -0.01 -0.17 -0.04 2.10 2.00 1g7oA9 ILE 18 H 0.06 0.57 -0.02 -0.55 8.25 8.31 1g7oA9 ILE 18 HA -0.02 -0.03 0.39 -0.75 4.18 3.77 1g7oA9 ILE 18 HB -0.04 -0.08 0.12 -0.04 1.89 1.85 1g7oA9 ILE 18 HG12 -0.12 0.07 0.09 -0.04 1.49 1.48 1g7oA9 ILE 18 HG13 -0.24 0.04 -0.17 -0.04 1.21 0.81 1g7oA9 ILE 18 HG23 -0.16 0.04 0.01 -0.04 0.93 0.78 1g7oA9 ILE 18 HD13 -0.06 -0.03 0.02 -0.04 0.88 0.77 1g7oA9 PHE 19 H 0.13 0.55 -0.14 -0.55 8.34 8.33 1g7oA9 PHE 19 HA -0.00 -0.02 0.36 -0.75 4.62 4.21 1g7oA9 PHE 19 HB2 0.01 0.05 0.07 -0.04 3.15 3.23 1g7oA9 PHE 19 HB3 -0.00 0.18 -0.02 -0.04 3.06 3.18 1g7oA9 PHE 19 HD2 0.00 0.15 -0.15 -0.04 7.28 7.25 1g7oA9 PHE 19 HE2 0.03 -0.03 -0.12 -0.04 7.38 7.21 1g7oA9 PHE 19 HZ 0.07 -0.04 -0.12 -0.04 7.32 7.19 1g7oA9 GLY 20 H 0.14 0.62 -0.13 -0.55 8.43 8.52 1g7oA9 GLY 20 HA2 0.07 -0.01 0.43 -0.51 4.01 3.98 1g7oA9 GLY 20 HA3 0.07 0.16 0.43 -0.51 4.01 4.16 1g7oA9 LEU 21 H 0.03 0.66 0.04 -0.55 8.37 8.55 1g7oA9 LEU 21 HA -0.01 0.10 0.34 -0.75 4.35 4.02 1g7oA9 LEU 21 HB2 -0.01 -0.01 0.08 -0.04 1.64 1.66 1g7oA9 LEU 21 HB3 -0.02 -0.09 -0.03 -0.04 1.64 1.46 1g7oA9 LEU 21 HG 0.01 0.15 0.03 -0.04 1.64 1.80 1g7oA9 LEU 21 HD13 -0.00 -0.06 -0.10 -0.04 0.93 0.73 1g7oA9 LEU 21 HD23 -0.05 0.02 -0.17 -0.04 0.89 0.65 1g7oA9 LYS 22 H -0.04 0.63 -0.10 -0.55 8.42 8.36 1g7oA9 LYS 22 HA -0.04 -0.01 0.53 -0.75 4.32 4.04 1g7oA9 LYS 22 HB2 -0.11 -0.10 0.04 -0.04 1.87 1.66 1g7oA9 LYS 22 HB3 -0.11 0.05 0.01 -0.04 1.79 1.69 1g7oA9 LYS 22 HG2 -0.14 -0.01 -0.08 -0.04 1.46 1.19 1g7oA9 LYS 22 HG3 -0.07 0.03 -0.08 -0.04 1.46 1.30 1g7oA9 LYS 22 HD2 -0.07 -0.04 0.03 -0.04 1.69 1.57 1g7oA9 LYS 22 HD3 -0.06 0.00 0.07 -0.04 1.68 1.65 1g7oA9 LYS 22 HE2 -0.10 -0.12 -0.02 -0.04 2.99 2.72 1g7oA9 LYS 22 HE3 -0.12 0.19 0.03 -0.04 2.99 3.05 1g7oA9 ASN 23 H 0.01 0.33 -0.42 -0.55 8.53 7.91 1g7oA9 ASN 23 HA 0.03 0.11 0.33 -0.75 4.76 4.47 1g7oA9 ASN 23 HB2 -0.00 0.08 -0.21 -0.04 2.88 2.70 1g7oA9 ASN 23 HB3 -0.00 0.04 0.23 -0.04 2.79 3.02 1g7oA9 ASN 23 HD21 0.01 0.01 0.17 -0.04 7.03 7.18 1g7oA9 ASN 23 HD22 0.01 -0.10 0.02 -0.04 7.74 7.62 1g7oA9 ILE 24 H 0.10 0.63 0.11 -0.55 8.25 8.54 1g7oA9 ILE 24 HA 0.07 0.15 0.80 -0.75 4.18 4.44 1g7oA9 ILE 24 HB 0.22 -0.07 0.08 -0.04 1.89 2.08 1g7oA9 ILE 24 HG12 0.02 0.00 -0.10 -0.04 1.49 1.37 1g7oA9 ILE 24 HG13 -0.00 0.08 -0.58 -0.04 1.21 0.66 1g7oA9 ILE 24 HG23 0.24 0.02 -0.11 -0.04 0.93 1.04 1g7oA9 ILE 24 HD13 -0.11 -0.03 -0.08 -0.04 0.88 0.62 1g7oA9 PRO 25 HA 0.01 0.02 0.45 -0.51 4.44 4.42 1g7oA9 PRO 25 HB2 0.00 0.00 0.02 -0.04 2.28 2.27 1g7oA9 PRO 25 HB3 -0.00 -0.02 0.05 -0.04 2.02 2.01 1g7oA9 PRO 25 HG2 0.01 -0.00 0.07 -0.04 2.03 2.07 1g7oA9 PRO 25 HG3 0.01 0.04 0.04 -0.04 2.03 2.08 1g7oA9 PRO 25 HD2 0.04 0.06 0.22 -0.04 3.68 3.96 1g7oA9 PRO 25 HD3 0.03 0.29 0.10 -0.04 3.65 4.03 1g7oA9 VAL 26 H -0.08 0.17 0.15 -0.55 8.24 7.94 1g7oA9 VAL 26 HA -0.27 0.31 0.79 -0.75 4.13 4.20 1g7oA9 VAL 26 HB -0.63 0.18 -0.30 -0.04 2.12 1.33 1g7oA9 VAL 26 HG13 -0.14 -0.02 0.01 -0.04 0.97 0.78 1g7oA9 VAL 26 HG23 -0.85 -0.04 -0.30 -0.04 0.95 -0.28 1g7oA9 GLU 27 H -0.24 0.77 0.30 -0.55 8.60 8.89 1g7oA9 GLU 27 HA -0.14 0.09 0.67 -0.75 4.29 4.15 1g7oA9 GLU 27 HB2 -0.29 -0.03 0.20 -0.04 2.09 1.92 1g7oA9 GLU 27 HB3 -0.17 -0.00 0.06 -0.04 1.99 1.84 1g7oA9 GLU 27 HG2 -0.03 -0.03 -0.02 -0.04 2.34 2.22 1g7oA9 GLU 27 HG3 -0.06 -0.01 -0.05 -0.04 2.34 2.18 1g7oA9 LEU 28 H -0.15 0.40 0.22 -0.55 8.37 8.29 1g7oA9 LEU 28 HA -0.22 0.08 0.54 -0.75 4.35 4.00 1g7oA9 LEU 28 HB2 -0.05 -0.01 0.13 -0.04 1.64 1.67 1g7oA9 LEU 28 HB3 -0.06 -0.07 -0.03 -0.04 1.64 1.43 1g7oA9 LEU 28 HG -0.11 0.19 0.08 -0.04 1.64 1.76 1g7oA9 LEU 28 HD13 -0.03 -0.00 0.00 -0.04 0.93 0.86 1g7oA9 LEU 28 HD23 -0.13 -0.02 -0.10 -0.04 0.89 0.60 1g7oA9 HIS 29 H -0.15 0.66 0.37 -0.55 8.41 8.74 1g7oA9 HIS 29 HA -0.16 0.09 0.79 -0.75 4.63 4.60 1g7oA9 HIS 29 HB2 -0.64 -0.01 0.06 -0.04 3.26 2.63 1g7oA9 HIS 29 HB3 -0.36 -0.05 -0.02 -0.04 3.20 2.72 1g7oA9 HIS 29 HD2 -1.14 -0.05 -0.10 -0.04 6.97 5.63 1g7oA9 HIS 29 HE1 -0.12 -0.02 -0.09 -0.04 7.75 7.48 1g7oA9 VAL 30 H -0.01 0.22 0.05 -0.55 8.24 7.94 1g7oA9 VAL 30 HA -0.01 0.17 0.71 -0.75 4.13 4.24 1g7oA9 VAL 30 HB -0.02 0.02 0.15 -0.04 2.12 2.23 1g7oA9 VAL 30 HG13 -0.04 -0.04 -0.06 -0.04 0.97 0.79 1g7oA9 VAL 30 HG23 -0.01 0.01 -0.05 -0.04 0.95 0.86 1g7oA9 LEU 31 H 0.06 0.64 0.40 -0.55 8.37 8.92 1g7oA9 LEU 31 HA 0.03 0.05 0.68 -0.75 4.35 4.35 1g7oA9 LEU 31 HB2 0.25 0.04 -0.01 -0.04 1.64 1.87 1g7oA9 LEU 31 HB3 0.17 0.00 0.07 -0.04 1.64 1.84 1g7oA9 LEU 31 HG 0.15 0.02 0.01 -0.04 1.64 1.77 1g7oA9 LEU 31 HD13 0.12 0.00 -0.07 -0.04 0.93 0.94 1g7oA9 LEU 31 HD23 0.13 -0.01 -0.05 -0.04 0.89 0.92 1g7oA9 LEU 32 H -0.03 0.08 0.18 -0.55 8.37 8.05 1g7oA9 LEU 32 HA -0.23 0.17 0.75 -0.75 4.35 4.28 1g7oA9 LEU 32 HB2 -0.10 -0.08 0.13 -0.04 1.64 1.56 1g7oA9 LEU 32 HB3 -0.14 -0.01 0.17 -0.04 1.64 1.62 1g7oA9 LEU 32 HG -0.06 0.03 0.11 -0.04 1.64 1.68 1g7oA9 LEU 32 HD13 -0.04 -0.01 0.05 -0.04 0.93 0.89 1g7oA9 LEU 32 HD23 -0.07 0.00 0.03 -0.04 0.89 0.81 1g7oA9 ASN 33 H -0.57 0.68 0.31 -0.55 8.53 8.41 1g7oA9 ASN 33 HA -1.56 0.05 0.25 -0.75 4.76 2.75 1g7oA9 ASN 33 HB2 -1.19 -0.03 0.02 -0.04 2.88 1.64 1g7oA9 ASN 33 HB3 -0.42 0.02 0.07 -0.04 2.79 2.41 1g7oA9 ASN 33 HD21 0.12 -0.06 -0.03 -0.04 7.03 7.02 1g7oA9 ASN 33 HD22 0.00 0.03 -0.06 -0.04 7.74 7.67 1g7oA9 ASP 34 H -0.21 0.06 -0.22 -0.55 8.40 7.48 1g7oA9 ASP 34 HA -0.19 0.14 0.37 -0.75 4.63 4.20 1g7oA9 ASP 34 HB2 -0.66 0.02 0.09 -0.04 2.71 2.12 1g7oA9 ASP 34 HB3 -0.25 0.04 0.07 -0.04 2.70 2.52 1g7oA9 ASP 35 H -0.15 0.57 -0.57 -0.55 8.40 7.70 1g7oA9 ASP 35 HA -0.04 -0.04 0.46 -0.75 4.63 4.26 1g7oA9 ASP 35 HB2 -0.01 -0.09 0.12 -0.04 2.71 2.69 1g7oA9 ASP 35 HB3 0.11 0.18 0.16 -0.04 2.70 3.11 1g7oA9 ALA 36 H -0.03 0.52 0.34 -0.55 8.40 8.68 1g7oA9 ALA 36 HA 0.06 0.13 0.58 -0.75 4.34 4.36 1g7oA9 ALA 36 HB3 0.01 0.02 0.06 -0.04 1.41 1.46 1g7oA9 GLU 37 H -0.02 0.09 0.03 -0.55 8.60 8.15 1g7oA9 GLU 37 HA -0.02 0.09 0.25 -0.75 4.29 3.85 1g7oA9 GLU 37 HB2 -0.03 0.07 0.02 -0.04 2.09 2.11 1g7oA9 GLU 37 HB3 -0.03 0.04 0.10 -0.04 1.99 2.06 1g7oA9 GLU 37 HG2 -0.03 -0.03 0.03 -0.04 2.34 2.27 1g7oA9 GLU 37 HG3 -0.03 0.07 0.02 -0.04 2.34 2.36 1g7oA9 THR 38 H -0.02 0.06 -0.19 -0.55 8.28 7.58 1g7oA9 THR 38 HA -0.09 0.05 0.27 -0.75 4.39 3.87 1g7oA9 THR 38 HB -0.01 0.07 0.02 -0.04 4.32 4.36 1g7oA9 THR 38 HG23 -0.11 0.02 -0.04 -0.04 1.22 1.04 1g7oA9 PRO 39 HA -0.13 0.04 0.44 -0.51 4.44 4.28 1g7oA9 PRO 39 HB2 -0.02 0.05 0.03 -0.04 2.28 2.30 1g7oA9 PRO 39 HB3 -0.07 0.10 0.18 -0.04 2.02 2.19 1g7oA9 PRO 39 HG2 0.02 0.14 0.03 -0.04 2.03 2.17 1g7oA9 PRO 39 HG3 -0.08 -0.01 -0.03 -0.04 2.03 1.87 1g7oA9 PRO 39 HD2 0.00 0.00 -0.55 -0.04 3.68 3.09 1g7oA9 PRO 39 HD3 -0.00 0.01 -0.03 -0.04 3.65 3.60 1g7oA9 THR 40 H -0.04 0.55 -0.33 -0.55 8.28 7.91 1g7oA9 THR 40 HA -0.04 -0.20 0.34 -0.75 4.39 3.73 1g7oA9 THR 40 HB -0.03 0.08 0.09 -0.04 4.32 4.42 1g7oA9 THR 40 HG23 -0.02 -0.01 -0.13 -0.04 1.22 1.02 1g7oA9 ARG 41 H -0.08 0.67 0.02 -0.55 8.46 8.52 1g7oA9 ARG 41 HA -0.07 -0.01 0.39 -0.75 4.34 3.89 1g7oA9 ARG 41 HB2 -0.15 0.09 0.15 -0.04 1.90 1.95 1g7oA9 ARG 41 HB3 -0.11 -0.02 0.01 -0.04 1.80 1.63 1g7oA9 ARG 41 HG2 -0.06 -0.03 0.01 -0.04 1.67 1.56 1g7oA9 ARG 41 HG3 -0.06 0.11 -0.01 -0.04 1.67 1.67 1g7oA9 ARG 41 HD2 -0.08 -0.05 -0.10 -0.04 3.22 2.95 1g7oA9 ARG 41 HD3 -0.07 0.02 -0.04 -0.04 3.22 3.09 1g7oA9 MET 42 H -0.19 0.50 -0.19 -0.55 8.47 8.04 1g7oA9 MET 42 HA -0.26 0.06 0.46 -0.75 4.52 4.03 1g7oA9 MET 42 HB2 -0.32 0.02 0.10 -0.04 2.15 1.91 1g7oA9 MET 42 HB3 -0.48 -0.04 -0.01 -0.04 2.03 1.46 1g7oA9 MET 42 HG2 -0.92 -0.00 -0.05 -0.04 2.63 1.62 1g7oA9 MET 42 HG3 -0.47 0.11 0.00 -0.04 2.56 2.17 1g7oA9 MET 42 HE3 -0.61 -0.01 -0.13 -0.04 2.10 1.31 1g7oA9 VAL 43 H -0.10 0.62 0.15 -0.55 8.24 8.37 1g7oA9 VAL 43 HA -0.02 0.16 0.79 -0.75 4.13 4.31 1g7oA9 VAL 43 HB -0.02 -0.07 0.15 -0.04 2.12 2.15 1g7oA9 VAL 43 HG13 -0.01 -0.01 -0.20 -0.04 0.97 0.70 1g7oA9 VAL 43 HG23 -0.05 -0.03 0.00 -0.04 0.95 0.84 1g7oA9 GLY 44 H -0.05 0.50 0.10 -0.55 8.43 8.44 1g7oA9 GLY 44 HA2 -0.02 0.05 0.38 -0.51 4.01 3.91 1g7oA9 GLY 44 HA3 -0.02 0.00 0.32 -0.51 4.01 3.80 1g7oA9 GLN 45 H -0.03 0.26 -0.37 -0.55 8.47 7.79 1g7oA9 GLN 45 HA -0.00 0.03 0.50 -0.75 4.36 4.14 1g7oA9 GLN 45 HB2 -0.00 0.20 -0.29 -0.04 2.15 2.02 1g7oA9 GLN 45 HB3 -0.01 0.01 -0.23 -0.04 2.02 1.74 1g7oA9 GLN 45 HG2 0.01 -0.03 -0.56 -0.04 2.40 1.77 1g7oA9 GLN 45 HG3 0.01 -0.02 -0.04 -0.04 2.39 2.30 1g7oA9 GLN 45 HE21 0.00 0.01 -0.15 -0.04 6.97 6.79 1g7oA9 GLN 45 HE22 0.02 -0.05 -0.08 -0.04 7.69 7.53 1g7oA9 LYS 46 H 0.02 0.17 0.01 -0.55 8.42 8.07 1g7oA9 LYS 46 HA 0.01 0.11 0.65 -0.75 4.32 4.34 1g7oA9 LYS 46 HB2 0.05 -0.02 0.11 -0.04 1.87 1.97 1g7oA9 LYS 46 HB3 0.06 -0.00 0.19 -0.04 1.79 1.99 1g7oA9 LYS 46 HG2 0.13 -0.02 -0.12 -0.04 1.46 1.41 1g7oA9 LYS 46 HG3 0.13 0.06 -0.02 -0.04 1.46 1.59 1g7oA9 LYS 46 HD2 0.10 -0.06 -0.01 -0.04 1.69 1.68 1g7oA9 LYS 46 HD3 0.13 -0.01 0.00 -0.04 1.68 1.76 1g7oA9 LYS 46 HE2 0.19 -0.03 -0.06 -0.04 2.99 3.04 1g7oA9 LYS 46 HE3 0.27 -0.02 -0.07 -0.04 2.99 3.13 1g7oA9 GLN 47 H -0.04 0.56 0.03 -0.55 8.47 8.47 1g7oA9 GLN 47 HA -0.04 0.06 0.54 -0.75 4.36 4.17 1g7oA9 GLN 47 HB2 0.00 0.04 -0.23 -0.04 2.15 1.92 1g7oA9 GLN 47 HB3 -0.01 0.08 -0.09 -0.04 2.02 1.96 1g7oA9 GLN 47 HG2 0.02 -0.02 -0.05 -0.04 2.40 2.32 1g7oA9 GLN 47 HG3 0.04 -0.01 -0.07 -0.04 2.39 2.31 1g7oA9 GLN 47 HE21 -0.02 0.06 -0.37 -0.04 6.97 6.60 1g7oA9 GLN 47 HE22 0.00 0.54 -0.09 -0.04 7.69 8.11 1g7oA9 VAL 48 H -0.15 0.23 0.00 -0.55 8.24 7.78 1g7oA9 VAL 48 HA -0.11 0.22 0.38 -0.75 4.13 3.86 1g7oA9 VAL 48 HB -0.30 0.13 0.12 -0.04 2.12 2.03 1g7oA9 VAL 48 HG13 -0.36 0.02 -0.26 -0.04 0.97 0.34 1g7oA9 VAL 48 HG23 -1.11 -0.02 -0.02 -0.04 0.95 -0.24 1g7oA9 PRO 49 HA -0.05 0.22 0.27 -0.51 4.44 4.37 1g7oA9 PRO 49 HB2 0.04 0.10 -0.22 -0.04 2.28 2.16 1g7oA9 PRO 49 HB3 0.02 0.01 -0.16 -0.04 2.02 1.85 1g7oA9 PRO 49 HG2 0.05 -0.03 -0.10 -0.04 2.03 1.90 1g7oA9 PRO 49 HG3 0.05 0.13 -0.11 -0.04 2.03 2.06 1g7oA9 PRO 49 HD2 0.22 -0.05 0.05 -0.04 3.68 3.86 1g7oA9 PRO 49 HD3 0.12 0.05 0.30 -0.04 3.65 4.08 1g7oA9 ILE 50 H 0.04 0.55 0.23 -0.55 8.25 8.52 1g7oA9 ILE 50 HA 0.03 0.29 0.65 -0.75 4.18 4.40 1g7oA9 ILE 50 HB -0.00 -0.09 0.10 -0.04 1.89 1.86 1g7oA9 ILE 50 HG12 -0.03 0.05 -0.10 -0.04 1.49 1.37 1g7oA9 ILE 50 HG13 -0.06 -0.15 -0.19 -0.04 1.21 0.77 1g7oA9 ILE 50 HG23 0.03 0.00 -0.41 -0.04 0.93 0.51 1g7oA9 ILE 50 HD13 -0.11 0.02 0.03 -0.04 0.88 0.77 1g7oA9 LEU 51 H 0.06 0.84 0.17 -0.55 8.37 8.89 1g7oA9 LEU 51 HA 0.08 0.15 0.78 -0.75 4.35 4.60 1g7oA9 LEU 51 HB2 0.15 -0.07 -0.04 -0.04 1.64 1.64 1g7oA9 LEU 51 HB3 0.07 0.07 0.20 -0.04 1.64 1.94 1g7oA9 LEU 51 HG 0.09 -0.04 -0.32 -0.04 1.64 1.33 1g7oA9 LEU 51 HD13 0.10 0.07 -0.26 -0.04 0.93 0.80 1g7oA9 LEU 51 HD23 0.35 -0.01 -0.06 -0.04 0.89 1.13 1g7oA9 GLN 52 H 0.13 0.68 0.26 -0.55 8.47 9.00 1g7oA9 GLN 52 HA -0.29 0.06 0.27 -0.75 4.36 3.65 1g7oA9 GLN 52 HB2 0.27 -0.06 -0.01 -0.04 2.15 2.31 1g7oA9 GLN 52 HB3 0.11 -0.04 0.21 -0.04 2.02 2.26 1g7oA9 GLN 52 HG2 -0.17 0.09 -0.20 -0.04 2.40 2.08 1g7oA9 GLN 52 HG3 -0.83 -0.02 -0.19 -0.04 2.39 1.32 1g7oA9 GLN 52 HE21 -0.06 0.02 -0.02 -0.04 6.97 6.87 1g7oA9 GLN 52 HE22 0.14 -0.03 -0.03 -0.04 7.69 7.73 1g7oA9 LYS 53 H -0.12 0.79 0.23 -0.55 8.42 8.76 1g7oA9 LYS 53 HA 0.04 0.08 0.55 -0.75 4.32 4.24 1g7oA9 LYS 53 HB2 -0.11 -0.04 0.07 -0.04 1.87 1.75 1g7oA9 LYS 53 HB3 0.00 -0.05 0.06 -0.04 1.79 1.76 1g7oA9 LYS 53 HG2 0.01 -0.03 -0.00 -0.04 1.46 1.40 1g7oA9 LYS 53 HG3 -0.12 0.25 0.14 -0.04 1.46 1.69 1g7oA9 LYS 53 HD2 -0.72 -0.02 -0.00 -0.04 1.69 0.91 1g7oA9 LYS 53 HD3 -0.84 -0.02 0.00 -0.04 1.68 0.78 1g7oA9 LYS 53 HE2 -0.22 0.09 0.01 -0.04 2.99 2.82 1g7oA9 LYS 53 HE3 -0.22 -0.05 -0.00 -0.04 2.99 2.67 1g7oA9 ASP 54 H 0.04 0.16 0.14 -0.55 8.40 8.18 1g7oA9 ASP 54 HA -0.00 0.18 0.33 -0.75 4.63 4.38 1g7oA9 ASP 54 HB2 0.04 0.07 0.15 -0.04 2.71 2.93 1g7oA9 ASP 54 HB3 0.02 -0.09 0.12 -0.04 2.70 2.71 1g7oA9 ASP 55 H -0.03 0.07 -0.10 -0.55 8.40 7.79 1g7oA9 ASP 55 HA -0.03 0.09 0.41 -0.75 4.63 4.34 1g7oA9 ASP 55 HB2 -0.04 -0.01 0.09 -0.04 2.71 2.72 1g7oA9 ASP 55 HB3 -0.03 0.02 0.15 -0.04 2.70 2.80 1g7oA9 SER 56 H -0.10 0.58 -0.59 -0.55 8.46 7.80 1g7oA9 SER 56 HA -0.34 0.04 0.08 -0.75 4.49 3.52 1g7oA9 SER 56 HB2 -0.10 0.02 0.01 -0.04 3.95 3.85 1g7oA9 SER 56 HB3 -0.27 -0.07 0.14 -0.04 3.93 3.69 1g7oA9 ARG 57 H -0.22 0.43 -0.29 -0.55 8.46 7.83 1g7oA9 ARG 57 HA -0.16 0.16 0.85 -0.75 4.34 4.43 1g7oA9 ARG 57 HB2 -0.09 0.05 -0.02 -0.04 1.90 1.79 1g7oA9 ARG 57 HB3 -0.13 -0.10 0.09 -0.04 1.80 1.62 1g7oA9 ARG 57 HG2 -0.08 -0.05 -0.05 -0.04 1.67 1.45 1g7oA9 ARG 57 HG3 -0.09 -0.02 -0.30 -0.04 1.67 1.21 1g7oA9 ARG 57 HD2 -0.04 0.03 0.04 -0.04 3.22 3.21 1g7oA9 ARG 57 HD3 -0.03 -0.04 -0.03 -0.04 3.22 3.08 1g7oA9 TYR 58 H -0.07 0.27 0.05 -0.55 8.29 7.99 1g7oA9 TYR 58 HA -0.06 0.06 0.21 -0.75 4.56 4.02 1g7oA9 TYR 58 HB2 -0.10 0.14 0.10 -0.04 3.06 3.15 1g7oA9 TYR 58 HB3 -0.16 -0.07 -0.13 -0.04 2.98 2.58 1g7oA9 TYR 58 HD2 -0.19 0.02 -0.02 -0.04 7.15 6.92 1g7oA9 TYR 58 HE2 -0.10 -0.00 -0.01 -0.04 6.85 6.70 1g7oA9 MET 59 H -0.01 0.75 0.28 -0.55 8.47 8.95 1g7oA9 MET 59 HA -0.02 0.18 0.73 -0.75 4.52 4.65 1g7oA9 MET 59 HB2 -0.12 0.01 0.01 -0.04 2.15 2.01 1g7oA9 MET 59 HB3 -0.08 -0.05 0.19 -0.04 2.03 2.05 1g7oA9 MET 59 HG2 -0.05 0.19 -0.11 -0.04 2.63 2.62 1g7oA9 MET 59 HG3 -0.07 -0.01 0.04 -0.04 2.56 2.48 1g7oA9 MET 59 HE3 -0.12 -0.00 -0.12 -0.04 2.10 1.82 1g7oA9 PRO 60 HA 0.01 0.27 0.70 -0.51 4.44 4.91 1g7oA9 PRO 60 HB2 0.01 -0.10 0.04 -0.04 2.28 2.20 1g7oA9 PRO 60 HB3 -0.00 0.09 0.05 -0.04 2.02 2.12 1g7oA9 PRO 60 HG2 0.00 -0.04 -0.05 -0.04 2.03 1.90 1g7oA9 PRO 60 HG3 -0.00 0.11 0.05 -0.04 2.03 2.15 1g7oA9 PRO 60 HD2 -0.01 0.06 0.23 -0.04 3.68 3.91 1g7oA9 PRO 60 HD3 -0.00 0.32 0.22 -0.04 3.65 4.15 1g7oA9 GLU 61 H 0.04 0.21 0.09 -0.55 8.60 8.39 1g7oA9 GLU 61 HA 0.07 -0.06 0.38 -0.75 4.29 3.93 1g7oA9 GLU 61 HB2 0.02 0.07 -0.30 -0.04 2.09 1.84 1g7oA9 GLU 61 HB3 -0.01 0.08 0.12 -0.04 1.99 2.13 1g7oA9 GLU 61 HG2 0.07 0.04 0.01 -0.04 2.34 2.42 1g7oA9 GLU 61 HG3 0.01 0.07 -0.04 -0.04 2.34 2.35 1g7oA9 SER 62 H -0.13 0.14 0.12 -0.55 8.46 8.04 1g7oA9 SER 62 HA -0.13 0.15 0.32 -0.75 4.49 4.08 1g7oA9 SER 62 HB2 -0.42 0.07 0.01 -0.04 3.95 3.57 1g7oA9 SER 62 HB3 -0.68 0.03 0.19 -0.04 3.93 3.42 1g7oA9 MET 63 H -0.32 0.12 -0.02 -0.55 8.47 7.71 1g7oA9 MET 63 HA -0.28 0.06 0.25 -0.75 4.52 3.80 1g7oA9 MET 63 HB2 -0.23 -0.00 0.08 -0.04 2.15 1.96 1g7oA9 MET 63 HB3 -0.20 0.04 0.04 -0.04 2.03 1.87 1g7oA9 MET 63 HG2 -0.20 0.02 -0.01 -0.04 2.63 2.40 1g7oA9 MET 63 HG3 -0.75 0.05 -0.07 -0.04 2.56 1.76 1g7oA9 MET 63 HE3 -0.10 -0.01 -0.04 -0.04 2.10 1.91 1g7oA9 ASP 64 H -0.12 0.06 -0.34 -0.55 8.40 7.45 1g7oA9 ASP 64 HA -0.02 0.02 0.50 -0.75 4.63 4.37 1g7oA9 ASP 64 HB2 -0.03 0.27 0.14 -0.04 2.71 3.05 1g7oA9 ASP 64 HB3 -0.00 0.05 -0.01 -0.04 2.70 2.69 1g7oA9 ILE 65 H -0.03 0.59 -0.09 -0.55 8.25 8.17 1g7oA9 ILE 65 HA 0.12 0.02 0.41 -0.75 4.18 3.98 1g7oA9 ILE 65 HB 0.02 0.06 0.09 -0.04 1.89 2.02 1g7oA9 ILE 65 HG12 0.08 -0.02 -0.05 -0.04 1.49 1.46 1g7oA9 ILE 65 HG13 0.02 0.18 -0.15 -0.04 1.21 1.22 1g7oA9 ILE 65 HG23 0.17 -0.02 -0.15 -0.04 0.93 0.89 1g7oA9 ILE 65 HD13 0.06 -0.02 -0.31 -0.04 0.88 0.56 1g7oA9 VAL 66 H -0.07 0.63 -0.14 -0.55 8.24 8.11 1g7oA9 VAL 66 HA -0.05 0.03 0.32 -0.75 4.13 3.68 1g7oA9 VAL 66 HB -0.18 0.04 0.15 -0.04 2.12 2.09 1g7oA9 VAL 66 HG13 0.04 -0.02 -0.10 -0.04 0.97 0.84 1g7oA9 VAL 66 HG23 -0.07 0.02 -0.12 -0.04 0.95 0.73 1g7oA9 HIS 67 H -0.04 0.68 -0.05 -0.55 8.41 8.45 1g7oA9 HIS 67 HA -0.03 -0.03 0.38 -0.75 4.63 4.19 1g7oA9 HIS 67 HB2 0.02 0.10 0.17 -0.04 3.26 3.51 1g7oA9 HIS 67 HB3 0.01 -0.02 0.02 -0.04 3.20 3.16 1g7oA9 HIS 67 HD2 -0.02 -0.05 -0.12 -0.04 6.97 6.74 1g7oA9 HIS 67 HE1 0.00 -0.04 -0.03 -0.04 7.75 7.64 1g7oA9 TYR 68 H 0.19 0.69 -0.13 -0.55 8.29 8.49 1g7oA9 TYR 68 HA 0.01 -0.01 0.38 -0.75 4.56 4.19 1g7oA9 TYR 68 HB2 0.01 -0.02 0.07 -0.04 3.06 3.08 1g7oA9 TYR 68 HB3 -0.01 0.09 0.18 -0.04 2.98 3.20 1g7oA9 TYR 68 HD2 0.00 -0.00 -0.04 -0.04 7.15 7.07 1g7oA9 TYR 68 HE2 0.02 -0.01 -0.04 -0.04 6.85 6.78 1g7oA9 VAL 69 H -0.03 0.75 -0.04 -0.55 8.24 8.38 1g7oA9 VAL 69 HA -0.42 0.01 0.37 -0.75 4.13 3.34 1g7oA9 VAL 69 HB -0.30 0.02 0.09 -0.04 2.12 1.89 1g7oA9 VAL 69 HG13 -0.59 -0.00 -0.18 -0.04 0.97 0.16 1g7oA9 VAL 69 HG23 -0.48 0.01 -0.01 -0.04 0.95 0.42 1g7oA9 ASP 70 H -0.10 0.64 -0.11 -0.55 8.40 8.28 1g7oA9 ASP 70 HA -0.10 0.01 0.42 -0.75 4.63 4.21 1g7oA9 ASP 70 HB2 -0.02 -0.04 0.10 -0.04 2.71 2.71 1g7oA9 ASP 70 HB3 -0.01 0.11 0.17 -0.04 2.70 2.92 1g7oA9 LYS 71 H -0.11 0.66 -0.18 -0.55 8.42 8.23 1g7oA9 LYS 71 HA -0.09 -0.06 0.48 -0.75 4.32 3.90 1g7oA9 LYS 71 HB2 -0.08 0.12 0.10 -0.04 1.87 1.97 1g7oA9 LYS 71 HB3 -0.06 -0.07 0.08 -0.04 1.79 1.70 1g7oA9 LYS 71 HG2 -0.06 0.07 0.01 -0.04 1.46 1.44 1g7oA9 LYS 71 HG3 -0.04 -0.07 -0.04 -0.04 1.46 1.28 1g7oA9 LYS 71 HD2 -0.05 -0.00 -0.04 -0.04 1.69 1.56 1g7oA9 LYS 71 HD3 -0.06 -0.01 -0.19 -0.04 1.68 1.37 1g7oA9 LYS 71 HE2 -0.07 0.00 -0.08 -0.04 2.99 2.81 1g7oA9 LYS 71 HE3 -0.11 -0.05 -0.08 -0.04 2.99 2.71 1g7oA9 LEU 72 H -0.30 0.48 -0.27 -0.55 8.37 7.74 1g7oA9 LEU 72 HA -0.31 -0.04 0.32 -0.75 4.35 3.57 1g7oA9 LEU 72 HB2 -0.46 0.03 0.21 -0.04 1.64 1.38 1g7oA9 LEU 72 HB3 -0.21 0.05 0.13 -0.04 1.64 1.57 1g7oA9 LEU 72 HG -0.13 -0.02 -0.06 -0.04 1.64 1.39 1g7oA9 LEU 72 HD13 -0.33 -0.03 0.00 -0.04 0.93 0.52 1g7oA9 LEU 72 HD23 -0.08 -0.01 -0.02 -0.04 0.89 0.74 1g7oA9 ASP 73 H -0.12 0.27 -0.23 -0.55 8.40 7.77 1g7oA9 ASP 73 HA -0.06 0.12 0.70 -0.75 4.63 4.64 1g7oA9 ASP 73 HB2 -0.05 -0.02 0.13 -0.04 2.71 2.73 1g7oA9 ASP 73 HB3 -0.07 0.00 0.02 -0.04 2.70 2.62 1g7oA9 GLY 74 H -0.08 0.54 -0.51 -0.55 8.43 7.83 1g7oA9 GLY 74 HA2 -0.05 -0.00 0.29 -0.51 4.01 3.74 1g7oA9 GLY 74 HA3 -0.04 -0.01 0.36 -0.51 4.01 3.82 1g7oA9 LYS 75 H -0.06 0.31 -0.11 -0.55 8.42 8.00 1g7oA9 LYS 75 HA -0.04 0.17 0.74 -0.75 4.32 4.44 1g7oA9 LYS 75 HB2 -0.05 -0.01 0.03 -0.04 1.87 1.81 1g7oA9 LYS 75 HB3 -0.04 -0.03 -0.09 -0.04 1.79 1.60 1g7oA9 LYS 75 HG2 -0.03 0.08 -0.11 -0.04 1.46 1.36 1g7oA9 LYS 75 HG3 -0.04 0.17 -0.48 -0.04 1.46 1.07 1g7oA9 LYS 75 HD2 -0.03 -0.01 -0.05 -0.04 1.69 1.56 1g7oA9 LYS 75 HD3 -0.03 -0.05 -0.04 -0.04 1.68 1.52 1g7oA9 LYS 75 HE2 -0.03 0.06 -0.01 -0.04 2.99 2.97 1g7oA9 LYS 75 HE3 -0.02 -0.05 -0.01 -0.04 2.99 2.87 1g7oA9 PRO 76 HA -0.05 0.02 0.50 -0.51 4.44 4.40 1g7oA9 PRO 76 HB2 -0.03 -0.03 0.02 -0.04 2.28 2.19 1g7oA9 PRO 76 HB3 -0.05 0.02 0.04 -0.04 2.02 1.99 1g7oA9 PRO 76 HG2 -0.03 0.03 0.10 -0.04 2.03 2.09 1g7oA9 PRO 76 HG3 -0.03 0.04 0.04 -0.04 2.03 2.03 1g7oA9 PRO 76 HD2 -0.03 0.15 0.12 -0.04 3.68 3.88 1g7oA9 PRO 76 HD3 -0.04 0.14 -0.04 -0.04 3.65 3.67 1g7oA9 LEU 77 H -0.04 0.37 0.22 -0.55 8.37 8.37 1g7oA9 LEU 77 HA -0.03 0.14 0.32 -0.75 4.35 4.03 1g7oA9 LEU 77 HB2 -0.04 0.16 0.04 -0.04 1.64 1.76 1g7oA9 LEU 77 HB3 -0.03 -0.11 0.12 -0.04 1.64 1.57 1g7oA9 LEU 77 HG -0.02 -0.11 -0.32 -0.04 1.64 1.15 1g7oA9 LEU 77 HD13 -0.02 0.01 -0.02 -0.04 0.93 0.85 1g7oA9 LEU 77 HD23 -0.03 0.03 -0.17 -0.04 0.89 0.68 1g7oA9 LEU 78 H -0.01 0.12 -0.09 -0.55 8.37 7.83 1g7oA9 LEU 78 HA 0.00 0.27 0.62 -0.75 4.35 4.48 1g7oA9 LEU 78 HB2 0.02 -0.14 -0.12 -0.04 1.64 1.37 1g7oA9 LEU 78 HB3 0.00 0.14 -0.22 -0.04 1.64 1.51 1g7oA9 LEU 78 HG -0.01 0.04 -0.07 -0.04 1.64 1.56 1g7oA9 LEU 78 HD13 0.03 -0.02 -0.14 -0.04 0.93 0.76 1g7oA9 LEU 78 HD23 0.01 0.02 -0.11 -0.04 0.89 0.78 1g7oA9 THR 79 H -0.01 0.34 -0.41 -0.55 8.28 7.66 1g7oA9 THR 79 HA 0.01 -0.06 0.73 -0.75 4.39 4.32 1g7oA9 THR 79 HB -0.05 -0.01 0.12 -0.04 4.32 4.33 1g7oA9 THR 79 HG23 -0.04 -0.01 -0.19 -0.04 1.22 0.94 1g7oA9 GLY 80 H 0.01 0.63 -0.07 -0.55 8.43 8.45 1g7oA9 GLY 80 HA2 -0.00 0.12 0.26 -0.51 4.01 3.87 1g7oA9 GLY 80 HA3 0.01 0.03 0.23 -0.51 4.01 3.77 1g7oA9 LYS 81 H 0.02 0.13 -0.21 -0.55 8.42 7.80 1g7oA9 LYS 81 HA 0.01 0.19 0.84 -0.75 4.32 4.60 1g7oA9 LYS 81 HB2 0.01 -0.02 -0.13 -0.04 1.87 1.68 1g7oA9 LYS 81 HB3 0.02 0.02 0.16 -0.04 1.79 1.95 1g7oA9 LYS 81 HG2 0.01 0.03 0.05 -0.04 1.46 1.51 1g7oA9 LYS 81 HG3 0.01 0.00 0.02 -0.04 1.46 1.44 1g7oA9 LYS 81 HD2 0.01 0.16 -0.06 -0.04 1.69 1.76 1g7oA9 LYS 81 HD3 0.01 -0.04 0.02 -0.04 1.68 1.63 1g7oA9 LYS 81 HE2 0.02 -0.10 -0.08 -0.04 2.99 2.78 1g7oA9 LYS 81 HE3 0.01 -0.05 -0.01 -0.04 2.99 2.90 1g7oA9 ARG 82 H 0.02 0.22 0.01 -0.55 8.46 8.15 1g7oA9 ARG 82 HA 0.04 -0.11 0.46 -0.75 4.34 3.97 1g7oA9 ARG 82 HB2 0.02 0.09 0.04 -0.04 1.90 2.01 1g7oA9 ARG 82 HB3 0.04 -0.07 0.02 -0.04 1.80 1.74 1g7oA9 ARG 82 HG2 0.05 -0.05 0.01 -0.04 1.67 1.63 1g7oA9 ARG 82 HG3 0.03 -0.09 -0.06 -0.04 1.67 1.52 1g7oA9 ARG 82 HD2 0.03 0.01 -0.00 -0.04 3.22 3.22 1g7oA9 ARG 82 HD3 0.02 0.04 -0.01 -0.04 3.22 3.23 1g7oA9 SER 83 H 0.04 0.04 0.03 -0.55 8.46 8.02 1g7oA9 SER 83 HA 0.02 0.23 0.53 -0.75 4.49 4.52 1g7oA9 SER 83 HB2 0.02 -0.08 0.14 -0.04 3.95 4.00 1g7oA9 SER 83 HB3 0.01 -0.02 0.12 -0.04 3.93 4.00 1g7oA9 PRO 84 HA 0.05 0.02 0.34 -0.51 4.44 4.34 1g7oA9 PRO 84 HB2 0.04 0.06 0.06 -0.04 2.28 2.40 1g7oA9 PRO 84 HB3 0.04 0.07 0.08 -0.04 2.02 2.16 1g7oA9 PRO 84 HG2 0.03 0.13 0.05 -0.04 2.03 2.19 1g7oA9 PRO 84 HG3 0.03 0.04 0.05 -0.04 2.03 2.11 1g7oA9 PRO 84 HD2 0.02 0.19 0.13 -0.04 3.68 3.98 1g7oA9 PRO 84 HD3 0.03 0.16 -0.07 -0.04 3.65 3.72 1g7oA9 ALA 85 H 0.03 0.18 -0.30 -0.55 8.40 7.76 1g7oA9 ALA 85 HA 0.07 0.06 0.37 -0.75 4.34 4.08 1g7oA9 ALA 85 HB3 -0.01 0.05 0.03 -0.04 1.41 1.44 1g7oA9 ILE 86 H 0.05 0.55 -0.16 -0.55 8.25 8.15 1g7oA9 ILE 86 HA 0.14 0.10 0.42 -0.75 4.18 4.07 1g7oA9 ILE 86 HB 0.07 -0.06 0.12 -0.04 1.89 1.97 1g7oA9 ILE 86 HG12 0.03 0.08 0.12 -0.04 1.49 1.67 1g7oA9 ILE 86 HG13 0.03 -0.06 -0.01 -0.04 1.21 1.13 1g7oA9 ILE 86 HG23 0.08 -0.00 -0.05 -0.04 0.93 0.92 1g7oA9 ILE 86 HD13 -0.01 0.03 -0.06 -0.04 0.88 0.80 1g7oA9 GLU 87 H 0.09 0.20 -0.10 -0.55 8.60 8.25 1g7oA9 GLU 87 HA 0.09 0.03 0.41 -0.75 4.29 4.07 1g7oA9 GLU 87 HB2 0.07 -0.09 0.10 -0.04 2.09 2.13 1g7oA9 GLU 87 HB3 0.07 0.12 0.18 -0.04 1.99 2.32 1g7oA9 GLU 87 HG2 0.06 0.01 -0.02 -0.04 2.34 2.35 1g7oA9 GLU 87 HG3 0.07 0.03 -0.13 -0.04 2.34 2.26 1g7oA9 GLU 88 H 0.11 0.66 -0.04 -0.55 8.60 8.78 1g7oA9 GLU 88 HA 0.09 0.01 0.39 -0.75 4.29 4.02 1g7oA9 GLU 88 HB2 0.15 0.09 0.13 -0.04 2.09 2.42 1g7oA9 GLU 88 HB3 0.14 0.00 -0.00 -0.04 1.99 2.09 1g7oA9 GLU 88 HG2 0.07 0.00 -0.00 -0.04 2.34 2.37 1g7oA9 GLU 88 HG3 0.07 0.03 -0.01 -0.04 2.34 2.39 1g7oA9 TRP 89 H 0.32 0.67 -0.10 -0.55 7.97 8.31 1g7oA9 TRP 89 HA 0.03 -0.01 0.39 -0.75 4.62 4.29 1g7oA9 TRP 89 HB2 0.03 0.10 0.15 -0.04 3.23 3.47 1g7oA9 TRP 89 HB3 0.03 0.05 0.15 -0.04 3.23 3.42 1g7oA9 TRP 89 HD1 0.03 -0.01 -0.07 -0.04 7.22 7.13 1g7oA9 TRP 89 HE1 0.04 0.41 0.11 -0.04 10.20 10.73 1g7oA9 TRP 89 HE3 0.03 -0.02 0.00 -0.04 7.59 7.57 1g7oA9 TRP 89 HZ2 0.05 0.00 0.13 -0.04 7.44 7.57 1g7oA9 TRP 89 HZ3 0.04 0.00 -0.00 -0.04 7.13 7.12 1g7oA9 TRP 89 HH2 0.05 0.01 0.01 -0.04 7.19 7.22 1g7oA9 LEU 90 H 0.20 0.69 -0.10 -0.55 8.37 8.62 1g7oA9 LEU 90 HA 0.03 -0.00 0.47 -0.75 4.35 4.10 1g7oA9 LEU 90 HB2 0.10 0.10 0.20 -0.04 1.64 1.99 1g7oA9 LEU 90 HB3 0.08 -0.05 -0.02 -0.04 1.64 1.61 1g7oA9 LEU 90 HG 0.17 0.08 0.05 -0.04 1.64 1.90 1g7oA9 LEU 90 HD13 0.11 -0.04 -0.12 -0.04 0.93 0.83 1g7oA9 LEU 90 HD23 0.10 -0.01 -0.04 -0.04 0.89 0.91 1g7oA9 ARG 91 H 0.05 0.71 -0.04 -0.55 8.46 8.63 1g7oA9 ARG 91 HA 0.00 -0.03 0.41 -0.75 4.34 3.98 1g7oA9 ARG 91 HB2 0.03 0.12 0.20 -0.04 1.90 2.21 1g7oA9 ARG 91 HB3 0.00 -0.02 0.01 -0.04 1.80 1.76 1g7oA9 ARG 91 HG2 0.04 -0.03 -0.01 -0.04 1.67 1.63 1g7oA9 ARG 91 HG3 0.03 -0.02 0.04 -0.04 1.67 1.67 1g7oA9 ARG 91 HD2 0.06 0.19 0.07 -0.04 3.22 3.50 1g7oA9 ARG 91 HD3 0.07 -0.06 -0.01 -0.04 3.22 3.17 1g7oA9 LYS 92 H -0.06 0.67 -0.11 -0.55 8.42 8.37 1g7oA9 LYS 92 HA -0.17 0.01 0.53 -0.75 4.32 3.93 1g7oA9 LYS 92 HB2 -0.14 0.00 0.12 -0.04 1.87 1.81 1g7oA9 LYS 92 HB3 -0.47 0.14 0.22 -0.04 1.79 1.65 1g7oA9 LYS 92 HG2 -0.41 -0.02 -0.17 -0.04 1.46 0.81 1g7oA9 LYS 92 HG3 -0.23 -0.03 0.04 -0.04 1.46 1.19 1g7oA9 LYS 92 HD2 -0.18 -0.01 0.01 -0.04 1.69 1.46 1g7oA9 LYS 92 HD3 -1.15 0.01 0.02 -0.04 1.68 0.52 1g7oA9 LYS 92 HE2 -0.10 -0.01 -0.01 -0.04 2.99 2.83 1g7oA9 LYS 92 HE3 -0.06 -0.00 -0.01 -0.04 2.99 2.88 1g7oA9 VAL 93 H -0.30 0.75 0.02 -0.55 8.24 8.15 1g7oA9 VAL 93 HA -0.03 -0.06 0.39 -0.75 4.13 3.68 1g7oA9 VAL 93 HB -0.11 0.14 0.25 -0.04 2.12 2.36 1g7oA9 VAL 93 HG13 0.05 -0.03 -0.08 -0.04 0.97 0.86 1g7oA9 VAL 93 HG23 -0.35 -0.01 0.02 -0.04 0.95 0.58 1g7oA9 ASN 94 H -0.06 0.66 -0.29 -0.55 8.53 8.28 1g7oA9 ASN 94 HA 0.01 -0.08 0.38 -0.75 4.76 4.32 1g7oA9 ASN 94 HB2 -0.03 0.28 0.16 -0.04 2.88 3.26 1g7oA9 ASN 94 HB3 -0.01 -0.07 0.03 -0.04 2.79 2.70 1g7oA9 ASN 94 HD21 0.02 0.50 -0.01 -0.04 7.03 7.49 1g7oA9 ASN 94 HD22 0.06 -0.10 -0.12 -0.04 7.74 7.53 1g7oA9 GLY 95 H -0.16 0.63 -0.30 -0.55 8.43 8.05 1g7oA9 GLY 95 HA2 -0.12 -0.01 0.42 -0.51 4.01 3.79 1g7oA9 GLY 95 HA3 -0.28 0.09 0.34 -0.51 4.01 3.64 1g7oA9 TYR 96 H -0.20 0.33 -0.08 -0.55 8.29 7.79 1g7oA9 TYR 96 HA -0.03 0.04 0.46 -0.75 4.56 4.28 1g7oA9 TYR 96 HB2 -0.04 0.06 0.14 -0.04 3.06 3.18 1g7oA9 TYR 96 HB3 -0.02 -0.03 0.02 -0.04 2.98 2.91 1g7oA9 TYR 96 HD2 -0.08 0.01 0.03 -0.04 7.15 7.06 1g7oA9 TYR 96 HE2 -0.13 0.00 -0.05 -0.04 6.85 6.64 1g7oA9 ALA 97 H 0.11 0.66 0.02 -0.55 8.40 8.65 1g7oA9 ALA 97 HA 0.07 0.00 0.24 -0.75 4.34 3.91 1g7oA9 ALA 97 HB3 0.06 0.00 0.03 -0.04 1.41 1.47 1g7oA9 ASN 98 H 0.01 0.71 -0.05 -0.55 8.53 8.66 1g7oA9 ASN 98 HA -0.05 -0.04 0.36 -0.75 4.76 4.29 1g7oA9 ASN 98 HB2 0.00 -0.03 0.14 -0.04 2.88 2.96 1g7oA9 ASN 98 HB3 -0.00 0.15 0.16 -0.04 2.79 3.06 1g7oA9 ASN 98 HD21 0.02 0.05 -0.05 -0.04 7.03 7.01 1g7oA9 ASN 98 HD22 0.05 -0.04 -0.07 -0.04 7.74 7.64 1g7oA9 LYS 99 H 0.04 0.39 -0.20 -0.55 8.42 8.09 1g7oA9 LYS 99 HA 0.27 -0.02 0.39 -0.75 4.32 4.21 1g7oA9 LYS 99 HB2 0.09 0.12 0.17 -0.04 1.87 2.22 1g7oA9 LYS 99 HB3 0.16 -0.08 0.04 -0.04 1.79 1.87 1g7oA9 LYS 99 HG2 0.02 -0.07 0.04 -0.04 1.46 1.41 1g7oA9 LYS 99 HG3 0.00 0.24 0.16 -0.04 1.46 1.82 1g7oA9 LYS 99 HD2 -0.10 -0.07 -0.00 -0.04 1.69 1.48 1g7oA9 LYS 99 HD3 -0.08 -0.03 0.02 -0.04 1.68 1.54 1g7oA9 LYS 99 HE2 0.03 -0.01 0.00 -0.04 2.99 2.98 1g7oA9 LYS 99 HE3 -0.04 -0.06 -0.02 -0.04 2.99 2.82 1g7oA9 LEU 100 H 0.06 0.64 -0.08 -0.55 8.37 8.44 1g7oA9 LEU 100 HA 0.03 0.01 0.47 -0.75 4.35 4.10 1g7oA9 LEU 100 HB2 0.04 0.09 0.08 -0.04 1.64 1.81 1g7oA9 LEU 100 HB3 0.03 -0.08 -0.00 -0.04 1.64 1.55 1g7oA9 LEU 100 HG 0.08 0.07 0.01 -0.04 1.64 1.76 1g7oA9 LEU 100 HD13 0.03 -0.04 -0.18 -0.04 0.93 0.70 1g7oA9 LEU 100 HD23 0.03 -0.02 -0.04 -0.04 0.89 0.82 1g7oA9 LEU 101 H -0.10 0.68 -0.11 -0.55 8.37 8.29 1g7oA9 LEU 101 HA -0.20 -0.01 0.41 -0.75 4.35 3.81 1g7oA9 LEU 101 HB2 -0.43 0.08 0.13 -0.04 1.64 1.39 1g7oA9 LEU 101 HB3 -1.27 -0.07 -0.02 -0.04 1.64 0.23 1g7oA9 LEU 101 HG -0.04 0.06 -0.03 -0.04 1.64 1.60 1g7oA9 LEU 101 HD13 0.04 -0.03 -0.17 -0.04 0.93 0.73 1g7oA9 LEU 101 HD23 0.16 -0.02 -0.15 -0.04 0.89 0.83 1g7oA9 LEU 102 H -0.30 0.72 0.08 -0.55 8.37 8.32 1g7oA9 LEU 102 HA -0.27 -0.06 0.24 -0.75 4.35 3.50 1g7oA9 LEU 102 HB2 -0.14 0.13 0.16 -0.04 1.64 1.75 1g7oA9 LEU 102 HB3 -0.23 -0.05 0.01 -0.04 1.64 1.32 1g7oA9 LEU 102 HG -0.08 0.08 0.10 -0.04 1.64 1.70 1g7oA9 LEU 102 HD13 0.16 -0.02 -0.05 -0.04 0.93 0.97 1g7oA9 LEU 102 HD23 0.18 -0.03 0.00 -0.04 0.89 1.00 1g7oA9 PRO 103 HA -0.35 0.03 0.47 -0.51 4.44 4.07 1g7oA9 PRO 103 HB2 -0.19 0.08 0.03 -0.04 2.28 2.16 1g7oA9 PRO 103 HB3 -0.27 -0.02 0.07 -0.04 2.02 1.76 1g7oA9 PRO 103 HG2 -0.33 0.06 0.07 -0.04 2.03 1.79 1g7oA9 PRO 103 HG3 -1.39 -0.05 0.06 -0.04 2.03 0.62 1g7oA9 PRO 103 HD2 -0.30 0.25 -0.34 -0.04 3.68 3.24 1g7oA9 PRO 103 HD3 -0.82 0.09 0.11 -0.04 3.65 2.99 1g7oA9 ARG 104 H -0.12 0.41 -0.23 -0.55 8.46 7.97 1g7oA9 ARG 104 HA 0.03 -0.05 0.40 -0.75 4.34 3.97 1g7oA9 ARG 104 HB2 0.06 0.12 0.20 -0.04 1.90 2.24 1g7oA9 ARG 104 HB3 0.13 -0.02 0.08 -0.04 1.80 1.95 1g7oA9 ARG 104 HG2 0.02 -0.06 0.07 -0.04 1.67 1.66 1g7oA9 ARG 104 HG3 -0.03 0.11 0.13 -0.04 1.67 1.84 1g7oA9 ARG 104 HD2 0.03 0.13 -0.04 -0.04 3.22 3.31 1g7oA9 ARG 104 HD3 0.08 -0.01 -0.07 -0.04 3.22 3.18 1g7oA9 PHE 105 H 0.15 0.69 -0.06 -0.55 8.34 8.57 1g7oA9 PHE 105 HA 0.25 0.01 0.38 -0.75 4.62 4.50 1g7oA9 PHE 105 HB2 0.01 0.21 0.04 -0.04 3.15 3.37 1g7oA9 PHE 105 HB3 -0.42 -0.12 -0.05 -0.04 3.06 2.42 1g7oA9 PHE 105 HD2 -0.00 -0.01 -0.05 -0.04 7.28 7.18 1g7oA9 PHE 105 HE2 0.12 -0.02 -0.03 -0.04 7.38 7.41 1g7oA9 PHE 105 HZ 0.07 0.09 0.05 -0.04 7.32 7.49 1g7oA9 ALA 106 H 0.10 0.31 -0.53 -0.55 8.40 7.74 1g7oA9 ALA 106 HA -0.39 -0.04 0.43 -0.75 4.34 3.58 1g7oA9 ALA 106 HB3 -0.02 0.00 0.07 -0.04 1.41 1.42 1g7oA9 LYS 107 H -0.02 0.59 0.07 -0.55 8.42 8.50 1g7oA9 LYS 107 HA -0.02 -0.01 0.42 -0.75 4.32 3.95 1g7oA9 LYS 107 HB2 -0.00 -0.02 0.18 -0.04 1.87 1.98 1g7oA9 LYS 107 HB3 -0.01 -0.03 0.02 -0.04 1.79 1.73 1g7oA9 LYS 107 HG2 -0.03 -0.05 0.02 -0.04 1.46 1.35 1g7oA9 LYS 107 HG3 -0.06 0.12 0.06 -0.04 1.46 1.54 1g7oA9 LYS 107 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.61 1g7oA9 LYS 107 HD3 -0.04 -0.05 -0.02 -0.04 1.68 1.53 1g7oA9 LYS 107 HE2 -0.08 -0.05 -0.25 -0.04 2.99 2.57 1g7oA9 LYS 107 HE3 -0.02 0.01 -0.09 -0.04 2.99 2.85 1g7oA9 SER 108 H 0.05 0.49 0.08 -0.55 8.46 8.54 1g7oA9 SER 108 HA 0.01 0.02 0.61 -0.75 4.49 4.38 1g7oA9 SER 108 HB2 -0.04 -0.02 0.09 -0.04 3.95 3.94 1g7oA9 SER 108 HB3 0.02 0.02 0.11 -0.04 3.93 4.04 1g7oA9 ALA 109 H 0.04 0.42 0.09 -0.55 8.40 8.40 1g7oA9 ALA 109 HA 0.12 0.16 0.16 -0.75 4.34 4.03 1g7oA9 ALA 109 HB3 0.10 0.01 0.09 -0.04 1.41 1.57 1g7oA9 PHE 110 H 0.71 0.35 0.30 -0.55 8.34 9.14 1g7oA9 PHE 110 HA 0.07 0.11 0.53 -0.75 4.62 4.58 1g7oA9 PHE 110 HB2 0.17 -0.04 0.07 -0.04 3.15 3.31 1g7oA9 PHE 110 HB3 -0.00 -0.22 0.08 -0.04 3.06 2.88 1g7oA9 PHE 110 HD2 0.05 0.10 0.07 -0.04 7.28 7.45 1g7oA9 PHE 110 HE2 0.10 0.05 -0.12 -0.04 7.38 7.37 1g7oA9 PHE 110 HZ 0.10 0.04 -0.03 -0.04 7.32 7.39 1g7oA9 ASP 111 H 0.15 0.18 0.13 -0.55 8.40 8.32 1g7oA9 ASP 111 HA 0.05 0.15 0.33 -0.75 4.63 4.41 1g7oA9 ASP 111 HB2 0.03 -0.09 0.11 -0.04 2.71 2.71 1g7oA9 ASP 111 HB3 0.00 0.05 0.06 -0.04 2.70 2.77 1g7oA9 GLU 112 H -0.07 0.04 -0.24 -0.55 8.60 7.78 1g7oA9 GLU 112 HA -0.27 0.16 0.39 -0.75 4.29 3.82 1g7oA9 GLU 112 HB2 -0.98 0.10 -0.04 -0.04 2.09 1.13 1g7oA9 GLU 112 HB3 -0.84 -0.09 0.13 -0.04 1.99 1.15 1g7oA9 GLU 112 HG2 -0.47 -0.06 0.10 -0.04 2.34 1.87 1g7oA9 GLU 112 HG3 -0.22 0.25 0.15 -0.04 2.34 2.48 1g7oA9 PHE 113 H -0.03 0.71 -0.59 -0.55 8.34 7.88 1g7oA9 PHE 113 HA -0.02 -0.07 0.66 -0.75 4.62 4.43 1g7oA9 PHE 113 HB2 0.03 0.18 0.01 -0.04 3.15 3.32 1g7oA9 PHE 113 HB3 0.02 -0.03 0.09 -0.04 3.06 3.10 1g7oA9 PHE 113 HD2 -0.00 0.02 -0.08 -0.04 7.28 7.18 1g7oA9 PHE 113 HE2 -0.78 -0.03 -0.04 -0.04 7.38 6.49 1g7oA9 PHE 113 HZ -1.55 -0.02 -0.12 -0.04 7.32 5.59 1g7oA9 SER 114 H 0.02 0.56 -0.10 -0.55 8.46 8.39 1g7oA9 SER 114 HA 0.07 0.11 0.37 -0.75 4.49 4.28 1g7oA9 SER 114 HB2 0.00 -0.09 0.12 -0.04 3.95 3.95 1g7oA9 SER 114 HB3 0.02 -0.03 0.02 -0.04 3.93 3.90 1g7oA9 THR 115 H 0.03 0.01 -0.16 -0.55 8.28 7.62 1g7oA9 THR 115 HA 0.03 0.21 0.50 -0.75 4.39 4.37 1g7oA9 THR 115 HB 0.02 -0.01 0.10 -0.04 4.32 4.39 1g7oA9 THR 115 HG23 -0.00 0.04 0.05 -0.04 1.22 1.27 1g7oA9 PRO 116 HA 0.05 0.17 0.48 -0.51 4.44 4.63 1g7oA9 PRO 116 HB2 0.03 -0.04 0.09 -0.04 2.28 2.33 1g7oA9 PRO 116 HB3 0.03 0.07 0.12 -0.04 2.02 2.21 1g7oA9 PRO 116 HG2 0.02 0.04 0.12 -0.04 2.03 2.18 1g7oA9 PRO 116 HG3 0.03 0.13 0.15 -0.04 2.03 2.29 1g7oA9 PRO 116 HD2 0.03 0.01 0.27 -0.04 3.68 3.95 1g7oA9 PRO 116 HD3 0.03 0.31 0.30 -0.04 3.65 4.25 1g7oA9 ALA 117 H 0.04 0.12 -0.21 -0.55 8.40 7.80 1g7oA9 ALA 117 HA 0.07 0.09 0.40 -0.75 4.34 4.16 1g7oA9 ALA 117 HB3 0.03 0.01 0.05 -0.04 1.41 1.46 1g7oA9 ALA 118 H 0.06 0.07 -0.17 -0.55 8.40 7.82 1g7oA9 ALA 118 HA 0.14 -0.01 0.37 -0.75 4.34 4.09 1g7oA9 ALA 118 HB3 0.03 0.00 0.15 -0.04 1.41 1.56 1g7oA9 ARG 119 H 0.16 0.63 -0.19 -0.55 8.46 8.52 1g7oA9 ARG 119 HA 0.20 0.04 0.47 -0.75 4.34 4.30 1g7oA9 ARG 119 HB2 0.13 0.31 0.09 -0.04 1.90 2.40 1g7oA9 ARG 119 HB3 0.09 -0.04 0.18 -0.04 1.80 1.99 1g7oA9 ARG 119 HG2 0.05 -0.04 0.02 -0.04 1.67 1.66 1g7oA9 ARG 119 HG3 0.04 -0.08 -0.10 -0.04 1.67 1.48 1g7oA9 ARG 119 HD2 -0.01 -0.07 0.13 -0.04 3.22 3.22 1g7oA9 ARG 119 HD3 0.09 0.08 0.08 -0.04 3.22 3.43 1g7oA9 LYS 120 H 0.11 0.72 0.01 -0.55 8.42 8.70 1g7oA9 LYS 120 HA 0.05 0.00 0.33 -0.75 4.32 3.94 1g7oA9 LYS 120 HB2 0.06 0.02 0.14 -0.04 1.87 2.05 1g7oA9 LYS 120 HB3 0.09 0.03 0.20 -0.04 1.79 2.07 1g7oA9 LYS 120 HG2 0.05 -0.03 -0.02 -0.04 1.46 1.42 1g7oA9 LYS 120 HG3 0.06 -0.01 -0.21 -0.04 1.46 1.26 1g7oA9 LYS 120 HD2 0.02 -0.06 0.08 -0.04 1.69 1.69 1g7oA9 LYS 120 HD3 0.02 0.02 0.03 -0.04 1.68 1.71 1g7oA9 LYS 120 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.91 1g7oA9 LYS 120 HE3 0.00 0.01 -0.00 -0.04 2.99 2.96 1g7oA9 TYR 121 H 0.23 0.69 -0.09 -0.55 8.29 8.58 1g7oA9 TYR 121 HA 0.05 -0.03 0.39 -0.75 4.56 4.21 1g7oA9 TYR 121 HB2 0.06 -0.02 0.11 -0.04 3.06 3.17 1g7oA9 TYR 121 HB3 0.12 0.08 0.20 -0.04 2.98 3.33 1g7oA9 TYR 121 HD2 0.12 0.01 -0.03 -0.04 7.15 7.22 1g7oA9 TYR 121 HE2 0.10 0.01 -0.06 -0.04 6.85 6.86 1g7oA9 PHE 122 H 0.42 0.63 -0.07 -0.55 8.34 8.76 1g7oA9 PHE 122 HA -0.15 -0.04 0.30 -0.75 4.62 3.98 1g7oA9 PHE 122 HB2 0.39 -0.07 0.10 -0.04 3.15 3.53 1g7oA9 PHE 122 HB3 0.01 0.15 0.17 -0.04 3.06 3.34 1g7oA9 PHE 122 HD2 -0.13 0.02 -0.10 -0.04 7.28 7.03 1g7oA9 PHE 122 HE2 -0.02 0.06 -0.06 -0.04 7.38 7.32 1g7oA9 PHE 122 HZ 0.08 -0.01 -0.03 -0.04 7.32 7.31 1g7oA9 VAL 123 H 0.08 0.74 -0.00 -0.55 8.24 8.51 1g7oA9 VAL 123 HA -0.15 -0.02 0.42 -0.75 4.13 3.63 1g7oA9 VAL 123 HB -0.00 0.09 0.15 -0.04 2.12 2.32 1g7oA9 VAL 123 HG13 -0.04 -0.03 -0.10 -0.04 0.97 0.76 1g7oA9 VAL 123 HG23 -0.02 -0.01 0.00 -0.04 0.95 0.88 1g7oA9 ASP 124 H -0.07 0.81 -0.05 -0.55 8.40 8.54 1g7oA9 ASP 124 HA -0.08 -0.03 0.33 -0.75 4.63 4.11 1g7oA9 ASP 124 HB2 -0.05 -0.07 0.07 -0.04 2.71 2.61 1g7oA9 ASP 124 HB3 -0.03 0.02 0.11 -0.04 2.70 2.76 1g7oA9 LYS 125 H -0.28 0.73 -0.01 -0.55 8.42 8.31 1g7oA9 LYS 125 HA -0.18 -0.03 0.41 -0.75 4.32 3.76 1g7oA9 LYS 125 HB2 -0.46 0.10 0.18 -0.04 1.87 1.65 1g7oA9 LYS 125 HB3 -0.27 -0.06 0.01 -0.04 1.79 1.43 1g7oA9 LYS 125 HG2 -0.64 0.12 0.10 -0.04 1.46 0.99 1g7oA9 LYS 125 HG3 -0.88 -0.07 -0.01 -0.04 1.46 0.46 1g7oA9 LYS 125 HD2 -0.14 -0.02 0.03 -0.04 1.69 1.51 1g7oA9 LYS 125 HD3 -0.16 -0.02 -0.00 -0.04 1.68 1.46 1g7oA9 LYS 125 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.92 1g7oA9 LYS 125 HE3 -0.05 -0.01 -0.00 -0.04 2.99 2.89 1g7oA9 LYS 126 H -0.40 0.72 -0.06 -0.55 8.42 8.13 1g7oA9 LYS 126 HA -0.17 -0.06 0.38 -0.75 4.32 3.71 1g7oA9 LYS 126 HB2 -0.79 0.03 0.10 -0.04 1.87 1.18 1g7oA9 LYS 126 HB3 -0.37 0.10 0.17 -0.04 1.79 1.66 1g7oA9 LYS 126 HG2 -0.03 -0.03 -0.13 -0.04 1.46 1.23 1g7oA9 LYS 126 HG3 -0.25 -0.06 -0.03 -0.04 1.46 1.08 1g7oA9 LYS 126 HD2 -0.92 -0.07 -0.25 -0.04 1.69 0.40 1g7oA9 LYS 126 HD3 -0.43 0.12 -0.26 -0.04 1.68 1.07 1g7oA9 LYS 126 HE2 -0.22 0.04 -0.13 -0.04 2.99 2.64 1g7oA9 LYS 126 HE3 -0.49 -0.06 -0.02 -0.04 2.99 2.38 1g7oA9 GLU 127 H -0.14 0.69 -0.01 -0.55 8.60 8.60 1g7oA9 GLU 127 HA 0.04 0.04 0.28 -0.75 4.29 3.90 1g7oA9 GLU 127 HB2 -0.06 0.05 0.11 -0.04 2.09 2.15 1g7oA9 GLU 127 HB3 -0.02 -0.07 -0.02 -0.04 1.99 1.83 1g7oA9 GLU 127 HG2 -0.05 -0.06 0.03 -0.04 2.34 2.22 1g7oA9 GLU 127 HG3 -0.11 0.11 0.12 -0.04 2.34 2.42 1g7oA9 ALA 128 H -0.07 0.67 -0.08 -0.55 8.40 8.37 1g7oA9 ALA 128 HA -0.03 -0.04 0.38 -0.75 4.34 3.90 1g7oA9 ALA 128 HB3 -0.05 -0.03 0.08 -0.04 1.41 1.37 1g7oA9 SER 129 H -0.06 0.63 -0.13 -0.55 8.46 8.35 1g7oA9 SER 129 HA -0.04 -0.00 0.44 -0.75 4.49 4.13 1g7oA9 SER 129 HB2 -0.05 0.04 0.17 -0.04 3.95 4.07 1g7oA9 SER 129 HB3 -0.04 -0.11 0.06 -0.04 3.93 3.80 1g7oA9 ALA 130 H -0.01 0.76 0.06 -0.55 8.40 8.67 1g7oA9 ALA 130 HA -0.13 0.02 0.83 -0.75 4.34 4.30 1g7oA9 ALA 130 HB3 -0.21 -0.00 0.12 -0.04 1.41 1.28 1g7oA9 GLY 131 H -0.07 0.33 0.01 -0.55 8.43 8.16 1g7oA9 GLY 131 HA2 -0.00 0.22 0.50 -0.51 4.01 4.21 1g7oA9 GLY 131 HA3 -0.04 0.04 0.35 -0.51 4.01 3.85 1g7oA9 ASN 132 H -0.14 0.15 -0.09 -0.55 8.53 7.91 1g7oA9 ASN 132 HA -0.11 0.03 0.32 -0.75 4.76 4.24 1g7oA9 ASN 132 HB2 -0.19 0.04 0.12 -0.04 2.88 2.82 1g7oA9 ASN 132 HB3 -0.37 0.06 -0.02 -0.04 2.79 2.43 1g7oA9 ASN 132 HD21 -0.15 -0.18 0.16 -0.04 7.03 6.82 1g7oA9 ASN 132 HD22 -0.16 0.05 0.01 -0.04 7.74 7.59 1g7oA9 PHE 133 H -0.22 0.35 -0.62 -0.55 8.34 7.29 1g7oA9 PHE 133 HA -0.04 -0.02 0.42 -0.75 4.62 4.23 1g7oA9 PHE 133 HB2 -0.05 0.22 0.08 -0.04 3.15 3.35 1g7oA9 PHE 133 HB3 -0.04 -0.02 0.01 -0.04 3.06 2.97 1g7oA9 PHE 133 HD2 -0.07 0.10 0.03 -0.04 7.28 7.31 1g7oA9 PHE 133 HE2 -0.08 0.04 0.07 -0.04 7.38 7.37 1g7oA9 PHE 133 HZ -0.08 -0.03 0.02 -0.04 7.32 7.20 1g7oA9 ALA 134 H 0.06 0.68 -0.13 -0.55 8.40 8.45 1g7oA9 ALA 134 HA 0.06 0.04 0.44 -0.75 4.34 4.13 1g7oA9 ALA 134 HB3 0.02 0.01 0.11 -0.04 1.41 1.51 1g7oA9 ASP 135 H 0.00 0.25 -0.17 -0.55 8.40 7.94 1g7oA9 ASP 135 HA 0.10 0.04 0.40 -0.75 4.63 4.42 1g7oA9 ASP 135 HB2 -0.03 -0.02 0.10 -0.04 2.71 2.73 1g7oA9 ASP 135 HB3 -0.09 0.12 0.19 -0.04 2.70 2.89 1g7oA9 LEU 136 H -0.02 0.62 0.00 -0.55 8.37 8.43 1g7oA9 LEU 136 HA 0.02 -0.01 0.31 -0.75 4.35 3.92 1g7oA9 LEU 136 HB2 0.12 0.07 0.10 -0.04 1.64 1.88 1g7oA9 LEU 136 HB3 0.09 -0.00 -0.04 -0.04 1.64 1.64 1g7oA9 LEU 136 HG -0.13 0.02 -0.02 -0.04 1.64 1.47 1g7oA9 LEU 136 HD13 -0.29 -0.01 -0.15 -0.04 0.93 0.44 1g7oA9 LEU 136 HD23 -0.06 -0.01 -0.03 -0.04 0.89 0.75 1g7oA9 LEU 137 H 0.11 0.71 -0.17 -0.55 8.37 8.48 1g7oA9 LEU 137 HA 0.07 -0.01 0.50 -0.75 4.35 4.15 1g7oA9 LEU 137 HB2 0.07 0.14 0.21 -0.04 1.64 2.02 1g7oA9 LEU 137 HB3 0.04 -0.05 0.06 -0.04 1.64 1.65 1g7oA9 LEU 137 HG 0.13 0.02 0.09 -0.04 1.64 1.84 1g7oA9 LEU 137 HD13 0.03 -0.02 -0.07 -0.04 0.93 0.83 1g7oA9 LEU 137 HD23 0.01 -0.02 0.03 -0.04 0.89 0.87 1g7oA9 ALA 138 H 0.09 0.60 -0.02 -0.55 8.40 8.52 1g7oA9 ALA 138 HA 0.01 -0.01 0.46 -0.75 4.34 4.04 1g7oA9 ALA 138 HB3 0.08 0.02 0.15 -0.04 1.41 1.62 1g7oA9 HIS 139 H 0.25 0.57 -0.31 -0.55 8.41 8.37 1g7oA9 HIS 139 HA -0.00 0.02 0.50 -0.75 4.63 4.39 1g7oA9 HIS 139 HB2 0.00 0.10 0.09 -0.04 3.26 3.42 1g7oA9 HIS 139 HB3 0.00 -0.14 0.09 -0.04 3.20 3.11 1g7oA9 HIS 139 HD2 -0.00 -0.05 0.01 -0.04 6.97 6.88 1g7oA9 HIS 139 HE1 -0.01 -0.03 -0.02 -0.04 7.75 7.65 1g7oA9 SER 140 H 0.06 0.51 -0.40 -0.55 8.46 8.09 1g7oA9 SER 140 HA 0.04 0.01 0.34 -0.75 4.49 4.12 1g7oA9 SER 140 HB2 -0.00 -0.09 0.03 -0.04 3.95 3.85 1g7oA9 SER 140 HB3 0.02 0.09 0.24 -0.04 3.93 4.23 1g7oA9 ASP 141 H -0.02 0.26 -0.13 -0.55 8.40 7.97 1g7oA9 ASP 141 HA -0.04 0.03 0.37 -0.75 4.63 4.23 1g7oA9 ASP 141 HB2 -0.04 0.05 0.12 -0.04 2.71 2.80 1g7oA9 ASP 141 HB3 -0.04 0.04 0.09 -0.04 2.70 2.75 1g7oA9 GLY 142 H -0.01 0.60 -0.10 -0.55 8.43 8.38 1g7oA9 GLY 142 HA2 -0.02 -0.01 0.46 -0.51 4.01 3.93 1g7oA9 GLY 142 HA3 0.02 0.09 0.34 -0.51 4.01 3.94 1g7oA9 LEU 143 H 0.00 0.46 -0.22 -0.55 8.37 8.07 1g7oA9 LEU 143 HA -0.08 -0.02 0.46 -0.75 4.35 3.96 1g7oA9 LEU 143 HB2 0.01 0.14 0.14 -0.04 1.64 1.89 1g7oA9 LEU 143 HB3 0.02 -0.06 0.03 -0.04 1.64 1.59 1g7oA9 LEU 143 HG 0.07 0.08 -0.12 -0.04 1.64 1.62 1g7oA9 LEU 143 HD13 0.08 -0.00 -0.05 -0.04 0.93 0.91 1g7oA9 LEU 143 HD23 0.10 -0.02 -0.06 -0.04 0.89 0.87 1g7oA9 ILE 144 H -0.05 0.70 -0.01 -0.55 8.25 8.34 1g7oA9 ILE 144 HA -0.10 -0.05 0.35 -0.75 4.18 3.62 1g7oA9 ILE 144 HB -0.07 0.08 0.12 -0.04 1.89 1.98 1g7oA9 ILE 144 HG12 -0.09 0.07 -0.17 -0.04 1.49 1.26 1g7oA9 ILE 144 HG13 -0.10 -0.08 -0.34 -0.04 1.21 0.65 1g7oA9 ILE 144 HG23 -0.11 -0.02 -0.09 -0.04 0.93 0.67 1g7oA9 ILE 144 HD13 -0.04 -0.04 -0.17 -0.04 0.88 0.59 1g7oA9 LYS 145 H -0.07 0.69 -0.11 -0.55 8.42 8.37 1g7oA9 LYS 145 HA -0.07 -0.01 0.43 -0.75 4.32 3.91 1g7oA9 LYS 145 HB2 -0.05 0.12 0.23 -0.04 1.87 2.13 1g7oA9 LYS 145 HB3 -0.04 -0.06 0.06 -0.04 1.79 1.71 1g7oA9 LYS 145 HG2 -0.05 -0.05 0.06 -0.04 1.46 1.38 1g7oA9 LYS 145 HG3 -0.05 0.15 0.09 -0.04 1.46 1.61 1g7oA9 LYS 145 HD2 -0.03 -0.03 0.02 -0.04 1.69 1.61 1g7oA9 LYS 145 HD3 -0.03 -0.02 -0.00 -0.04 1.68 1.59 1g7oA9 LYS 145 HE2 -0.03 0.04 -0.25 -0.04 2.99 2.71 1g7oA9 LYS 145 HE3 -0.02 -0.00 0.02 -0.04 2.99 2.95 1g7oA9 ASN 146 H -0.14 0.67 -0.03 -0.55 8.53 8.48 1g7oA9 ASN 146 HA -0.15 -0.04 0.43 -0.75 4.76 4.24 1g7oA9 ASN 146 HB2 -0.47 0.13 0.27 -0.04 2.88 2.77 1g7oA9 ASN 146 HB3 -1.03 -0.08 0.01 -0.04 2.79 1.65 1g7oA9 ASN 146 HD21 -0.06 0.58 0.16 -0.04 7.03 7.67 1g7oA9 ASN 146 HD22 0.01 -0.08 0.01 -0.04 7.74 7.64 1g7oA9 ILE 147 H -0.41 0.79 0.02 -0.55 8.25 8.10 1g7oA9 ILE 147 HA -0.33 -0.03 0.36 -0.75 4.18 3.43 1g7oA9 ILE 147 HB -0.31 -0.05 0.07 -0.04 1.89 1.55 1g7oA9 ILE 147 HG12 0.04 0.00 -0.05 -0.04 1.49 1.45 1g7oA9 ILE 147 HG13 0.02 0.02 -0.18 -0.04 1.21 1.04 1g7oA9 ILE 147 HG23 -0.11 0.06 -0.03 -0.04 0.93 0.80 1g7oA9 ILE 147 HD13 0.06 -0.03 0.04 -0.04 0.88 0.92 1g7oA9 SER 148 H -0.12 0.75 -0.07 -0.55 8.46 8.48 1g7oA9 SER 148 HA -0.00 0.01 0.39 -0.75 4.49 4.13 1g7oA9 SER 148 HB2 -0.06 0.09 0.20 -0.04 3.95 4.14 1g7oA9 SER 148 HB3 -0.04 0.04 0.11 -0.04 3.93 3.99 1g7oA9 ASP 149 H -0.04 0.76 -0.08 -0.55 8.40 8.49 1g7oA9 ASP 149 HA 0.05 -0.02 0.47 -0.75 4.63 4.37 1g7oA9 ASP 149 HB2 0.01 0.16 0.23 -0.04 2.71 3.07 1g7oA9 ASP 149 HB3 0.06 -0.09 0.07 -0.04 2.70 2.71 1g7oA9 ASP 150 H 0.02 0.76 0.05 -0.55 8.40 8.69 1g7oA9 ASP 150 HA 0.56 -0.02 0.47 -0.75 4.63 4.88 1g7oA9 ASP 150 HB2 -0.03 0.11 0.19 -0.04 2.71 2.94 1g7oA9 ASP 150 HB3 -0.10 -0.07 0.05 -0.04 2.70 2.53 1g7oA9 LEU 151 H 0.12 0.71 -0.26 -0.55 8.37 8.39 1g7oA9 LEU 151 HA 0.24 -0.04 0.62 -0.75 4.35 4.42 1g7oA9 LEU 151 HB2 0.12 0.21 0.14 -0.04 1.64 2.07 1g7oA9 LEU 151 HB3 0.16 -0.14 0.08 -0.04 1.64 1.69 1g7oA9 LEU 151 HG 0.11 0.16 -0.10 -0.04 1.64 1.77 1g7oA9 LEU 151 HD13 0.25 -0.01 -0.09 -0.04 0.93 1.03 1g7oA9 LEU 151 HD23 0.16 -0.04 -0.10 -0.04 0.89 0.86 1g7oA9 ARG 152 H 0.11 0.55 -0.04 -0.55 8.46 8.54 1g7oA9 ARG 152 HA 0.07 -0.06 0.66 -0.75 4.34 4.25 1g7oA9 ARG 152 HB2 0.07 0.16 0.24 -0.04 1.90 2.33 1g7oA9 ARG 152 HB3 0.04 -0.07 0.08 -0.04 1.80 1.81 1g7oA9 ARG 152 HG2 0.05 0.24 0.07 -0.04 1.67 1.99 1g7oA9 ARG 152 HG3 0.03 -0.03 0.05 -0.04 1.67 1.68 1g7oA9 ARG 152 HD2 0.05 -0.09 0.08 -0.04 3.22 3.22 1g7oA9 ARG 152 HD3 0.03 0.03 0.02 -0.04 3.22 3.26 1g7oA9 ALA 153 H 0.17 0.54 -0.15 -0.55 8.40 8.42 1g7oA9 ALA 153 HA -0.07 0.03 0.42 -0.75 4.34 3.97 1g7oA9 ALA 153 HB3 -0.10 0.04 0.13 -0.04 1.41 1.44 1g7oA9 LEU 154 H 0.24 0.59 -0.06 -0.55 8.37 8.60 1g7oA9 LEU 154 HA -0.06 -0.02 0.34 -0.75 4.35 3.85 1g7oA9 LEU 154 HB2 0.45 0.07 0.12 -0.04 1.64 2.23 1g7oA9 LEU 154 HB3 0.18 0.10 0.16 -0.04 1.64 2.04 1g7oA9 LEU 154 HG 0.20 -0.01 -0.03 -0.04 1.64 1.75 1g7oA9 LEU 154 HD13 -0.02 -0.00 -0.22 -0.04 0.93 0.65 1g7oA9 LEU 154 HD23 0.07 -0.02 -0.01 -0.04 0.89 0.89 1g7oA9 ASP 155 H 0.06 0.65 -0.28 -0.55 8.40 8.28 1g7oA9 ASP 155 HA 0.02 -0.11 0.33 -0.75 4.63 4.12 1g7oA9 ASP 155 HB2 0.06 0.05 0.18 -0.04 2.71 2.96 1g7oA9 ASP 155 HB3 0.04 0.24 0.26 -0.04 2.70 3.20 1g7oA9 LYS 156 H -0.01 0.55 -0.12 -0.55 8.42 8.28 1g7oA9 LYS 156 HA -0.02 0.01 0.48 -0.75 4.32 4.04 1g7oA9 LYS 156 HB2 -0.08 0.11 0.14 -0.04 1.87 2.00 1g7oA9 LYS 156 HB3 -0.05 -0.06 0.05 -0.04 1.79 1.70 1g7oA9 LYS 156 HG2 -0.02 0.23 0.11 -0.04 1.46 1.74 1g7oA9 LYS 156 HG3 -0.03 -0.07 0.03 -0.04 1.46 1.35 1g7oA9 LYS 156 HD2 -0.01 -0.00 0.03 -0.04 1.69 1.67 1g7oA9 LYS 156 HD3 -0.00 -0.04 -0.02 -0.04 1.68 1.57 1g7oA9 LYS 156 HE2 0.00 -0.03 0.01 -0.04 2.99 2.93 1g7oA9 LYS 156 HE3 0.01 -0.00 0.01 -0.04 2.99 2.96 1g7oA9 LEU 157 H -0.09 0.43 -0.23 -0.55 8.37 7.93 1g7oA9 LEU 157 HA -0.07 0.00 0.41 -0.75 4.35 3.94 1g7oA9 LEU 157 HB2 -0.11 0.06 0.11 -0.04 1.64 1.66 1g7oA9 LEU 157 HB3 -0.09 -0.14 0.05 -0.04 1.64 1.42 1g7oA9 LEU 157 HG -0.23 0.17 -0.03 -0.04 1.64 1.51 1g7oA9 LEU 157 HD13 -0.42 -0.05 -0.13 -0.04 0.93 0.29 1g7oA9 LEU 157 HD23 -0.14 -0.02 -0.04 -0.04 0.89 0.65 1g7oA9 ILE 158 H -0.04 0.39 -0.35 -0.55 8.25 7.70 1g7oA9 ILE 158 HA -0.05 -0.07 0.61 -0.75 4.18 3.91 1g7oA9 ILE 158 HB -0.02 0.15 0.09 -0.04 1.89 2.07 1g7oA9 ILE 158 HG12 -0.35 -0.11 -0.08 -0.04 1.49 0.92 1g7oA9 ILE 158 HG13 -0.12 0.19 -0.10 -0.04 1.21 1.13 1g7oA9 ILE 158 HG23 0.07 -0.02 -0.37 -0.04 0.93 0.57 1g7oA9 ILE 158 HD13 -0.15 -0.05 -0.27 -0.04 0.88 0.38 1g7oA9 VAL 159 H 0.01 0.69 0.48 -0.55 8.24 8.86 1g7oA9 VAL 159 HA 0.01 0.09 0.50 -0.75 4.13 3.98 1g7oA9 VAL 159 HB 0.02 -0.16 0.08 -0.04 2.12 2.02 1g7oA9 VAL 159 HG13 0.01 -0.02 -0.08 -0.04 0.97 0.84 1g7oA9 VAL 159 HG23 -0.00 0.06 0.12 -0.04 0.95 1.09 1g7oA9 LYS 160 H 0.07 0.27 0.03 -0.55 8.42 8.23 1g7oA9 LYS 160 HA 0.05 0.24 0.67 -0.75 4.32 4.52 1g7oA9 LYS 160 HB2 0.06 -0.08 0.06 -0.04 1.87 1.87 1g7oA9 LYS 160 HB3 0.04 0.01 -0.03 -0.04 1.79 1.77 1g7oA9 LYS 160 HG2 0.03 -0.08 -0.37 -0.04 1.46 1.00 1g7oA9 LYS 160 HG3 0.02 0.05 0.01 -0.04 1.46 1.50 1g7oA9 LYS 160 HD2 0.02 -0.04 0.03 -0.04 1.69 1.66 1g7oA9 LYS 160 HD3 0.02 0.24 0.14 -0.04 1.68 2.04 1g7oA9 LYS 160 HE2 0.01 -0.00 -0.03 -0.04 2.99 2.93 1g7oA9 LYS 160 HE3 0.01 -0.02 0.00 -0.04 2.99 2.94 1g7oA9 PRO 161 HA 0.28 0.09 0.33 -0.51 4.44 4.63 1g7oA9 PRO 161 HB2 0.04 0.05 -0.00 -0.04 2.28 2.32 1g7oA9 PRO 161 HB3 0.09 0.02 0.04 -0.04 2.02 2.12 1g7oA9 PRO 161 HG2 0.01 0.05 0.01 -0.04 2.03 2.06 1g7oA9 PRO 161 HG3 0.03 0.05 0.03 -0.04 2.03 2.09 1g7oA9 PRO 161 HD2 0.03 0.12 0.11 -0.04 3.68 3.90 1g7oA9 PRO 161 HD3 0.05 0.19 0.08 -0.04 3.65 3.93 1g7oA9 ASN 162 H 0.19 0.57 -0.38 -0.55 8.53 8.36 1g7oA9 ASN 162 HA -0.43 0.08 0.23 -0.75 4.76 3.89 1g7oA9 ASN 162 HB2 -0.15 0.02 0.03 -0.04 2.88 2.74 1g7oA9 ASN 162 HB3 -0.10 0.21 0.02 -0.04 2.79 2.88 1g7oA9 ASN 162 HD21 -0.02 0.00 -0.12 -0.04 7.03 6.86 1g7oA9 ASN 162 HD22 -0.06 0.02 -0.17 -0.04 7.74 7.49 1g7oA9 ALA 163 H 0.06 0.22 -0.13 -0.55 8.40 8.00 1g7oA9 ALA 163 HA 0.11 0.05 0.61 -0.75 4.34 4.36 1g7oA9 ALA 163 HB3 0.04 0.04 -0.45 -0.04 1.41 1.00 1g7oA9 VAL 164 H 0.28 0.22 0.02 -0.55 8.24 8.20 1g7oA9 VAL 164 HA 0.05 0.11 0.41 -0.75 4.13 3.95 1g7oA9 VAL 164 HB -0.01 0.05 0.05 -0.04 2.12 2.17 1g7oA9 VAL 164 HG13 0.08 -0.02 -0.08 -0.04 0.97 0.91 1g7oA9 VAL 164 HG23 -0.06 0.03 -0.08 -0.04 0.95 0.80 1g7oA9 ASN 165 H 0.07 0.05 -0.32 -0.55 8.53 7.78 1g7oA9 ASN 165 HA 0.02 0.23 0.68 -0.75 4.76 4.93 1g7oA9 ASN 165 HB2 0.03 0.09 0.12 -0.04 2.88 3.09 1g7oA9 ASN 165 HB3 0.02 0.07 0.18 -0.04 2.79 3.02 1g7oA9 ASN 165 HD21 0.04 0.63 0.17 -0.04 7.03 7.83 1g7oA9 ASN 165 HD22 0.04 -0.29 0.05 -0.04 7.74 7.50 1g7oA9 GLY 166 H 0.05 0.53 -0.46 -0.55 8.43 8.00 1g7oA9 GLY 166 HA2 0.03 0.04 0.28 -0.51 4.01 3.86 1g7oA9 GLY 166 HA3 0.02 0.12 0.38 -0.51 4.01 4.02 1g7oA9 GLU 167 H 0.02 0.54 -0.62 -0.55 8.60 8.00 1g7oA9 GLU 167 HA 0.01 0.18 0.79 -0.75 4.29 4.51 1g7oA9 GLU 167 HB2 0.02 -0.06 0.01 -0.04 2.09 2.02 1g7oA9 GLU 167 HB3 0.01 0.03 -0.00 -0.04 1.99 1.99 1g7oA9 GLU 167 HG2 0.01 0.02 -0.05 -0.04 2.34 2.27 1g7oA9 GLU 167 HG3 0.01 0.07 -0.06 -0.04 2.34 2.32 1g7oA9 LEU 168 H 0.01 0.26 0.09 -0.55 8.37 8.19 1g7oA9 LEU 168 HA 0.04 -0.04 0.48 -0.75 4.35 4.07 1g7oA9 LEU 168 HB2 0.00 0.15 0.22 -0.04 1.64 1.97 1g7oA9 LEU 168 HB3 0.01 -0.01 0.02 -0.04 1.64 1.62 1g7oA9 LEU 168 HG 0.00 -0.06 -0.04 -0.04 1.64 1.50 1g7oA9 LEU 168 HD13 -0.02 0.04 -0.03 -0.04 0.93 0.88 1g7oA9 LEU 168 HD23 -0.01 0.00 -0.08 -0.04 0.89 0.76 1g7oA9 SER 169 H 0.06 0.16 0.29 -0.55 8.46 8.43 1g7oA9 SER 169 HA 0.04 0.17 0.41 -0.75 4.49 4.35 1g7oA9 SER 169 HB2 0.05 -0.07 -0.06 -0.04 3.95 3.83 1g7oA9 SER 169 HB3 0.04 -0.08 -0.27 -0.04 3.93 3.58 1g7oA9 GLU 170 H 0.06 0.23 0.13 -0.55 8.60 8.48 1g7oA9 GLU 170 HA 0.07 0.14 0.33 -0.75 4.29 4.07 1g7oA9 GLU 170 HB2 0.09 -0.02 0.08 -0.04 2.09 2.20 1g7oA9 GLU 170 HB3 0.07 0.01 0.10 -0.04 1.99 2.13 1g7oA9 GLU 170 HG2 0.31 0.04 0.03 -0.04 2.34 2.67 1g7oA9 GLU 170 HG3 0.12 0.13 0.04 -0.04 2.34 2.58 1g7oA9 ASP 171 H 0.07 0.08 -0.35 -0.55 8.40 7.65 1g7oA9 ASP 171 HA 0.08 0.07 0.46 -0.75 4.63 4.48 1g7oA9 ASP 171 HB2 0.07 0.04 0.02 -0.04 2.71 2.80 1g7oA9 ASP 171 HB3 0.07 0.06 0.02 -0.04 2.70 2.81 1g7oA9 ASP 172 H 0.11 0.55 -0.17 -0.55 8.40 8.34 1g7oA9 ASP 172 HA 0.28 0.02 0.54 -0.75 4.63 4.72 1g7oA9 ASP 172 HB2 0.11 0.13 0.17 -0.04 2.71 3.08 1g7oA9 ASP 172 HB3 0.17 0.12 0.08 -0.04 2.70 3.03 1g7oA9 ILE 173 H 0.10 0.13 -0.16 -0.55 8.25 7.77 1g7oA9 ILE 173 HA 0.11 0.10 0.38 -0.75 4.18 4.01 1g7oA9 ILE 173 HB 0.04 0.09 0.15 -0.04 1.89 2.13 1g7oA9 ILE 173 HG12 0.06 -0.03 0.01 -0.04 1.49 1.50 1g7oA9 ILE 173 HG13 0.04 -0.03 0.01 -0.04 1.21 1.19 1g7oA9 ILE 173 HG23 -0.00 -0.00 -0.05 -0.04 0.93 0.83 1g7oA9 ILE 173 HD13 0.04 0.03 -0.03 -0.04 0.88 0.87 1g7oA9 GLN 174 H 0.09 0.37 -0.28 -0.55 8.47 8.10 1g7oA9 GLN 174 HA 0.08 0.04 0.54 -0.75 4.36 4.27 1g7oA9 GLN 174 HB2 0.09 0.07 0.14 -0.04 2.15 2.41 1g7oA9 GLN 174 HB3 0.09 -0.02 0.00 -0.04 2.02 2.05 1g7oA9 GLN 174 HG2 0.05 0.11 -0.01 -0.04 2.40 2.51 1g7oA9 GLN 174 HG3 0.07 -0.08 -0.02 -0.04 2.39 2.32 1g7oA9 GLN 174 HE21 0.04 -0.03 -0.05 -0.04 6.97 6.89 1g7oA9 GLN 174 HE22 0.03 -0.01 -0.03 -0.04 7.69 7.64 1g7oA9 LEU 175 H 0.14 0.61 0.03 -0.55 8.37 8.59 1g7oA9 LEU 175 HA 0.12 -0.03 0.21 -0.75 4.35 3.90 1g7oA9 LEU 175 HB2 0.09 -0.01 0.10 -0.04 1.64 1.78 1g7oA9 LEU 175 HB3 0.22 -0.01 0.22 -0.04 1.64 2.02 1g7oA9 LEU 175 HG 0.10 0.04 -0.26 -0.04 1.64 1.48 1g7oA9 LEU 175 HD13 0.05 -0.02 -0.03 -0.04 0.93 0.89 1g7oA9 LEU 175 HD23 -0.44 -0.01 -0.07 -0.04 0.89 0.33 1g7oA9 PHE 176 H 0.37 0.60 0.01 -0.55 8.34 8.76 1g7oA9 PHE 176 HA 0.26 -0.03 0.23 -0.75 4.62 4.32 1g7oA9 PHE 176 HB2 0.13 -0.03 0.05 -0.04 3.15 3.26 1g7oA9 PHE 176 HB3 0.09 0.12 0.07 -0.04 3.06 3.29 1g7oA9 PHE 176 HD2 0.06 -0.03 -0.06 -0.04 7.28 7.21 1g7oA9 PHE 176 HE2 -0.01 0.01 -0.13 -0.04 7.38 7.21 1g7oA9 PHE 176 HZ -0.01 0.09 -0.15 -0.04 7.32 7.22 1g7oA9 PRO 177 HA -0.30 0.01 0.39 -0.51 4.44 4.02 1g7oA9 PRO 177 HB2 0.04 0.17 0.05 -0.04 2.28 2.50 1g7oA9 PRO 177 HB3 0.01 -0.03 0.08 -0.04 2.02 2.04 1g7oA9 PRO 177 HG2 0.04 0.15 -0.00 -0.04 2.03 2.18 1g7oA9 PRO 177 HG3 -0.06 -0.04 -0.18 -0.04 2.03 1.70 1g7oA9 PRO 177 HD2 0.12 0.19 -0.32 -0.04 3.68 3.62 1g7oA9 PRO 177 HD3 0.11 0.06 -0.02 -0.04 3.65 3.76 1g7oA9 LEU 178 H 0.05 0.58 -0.28 -0.55 8.37 8.18 1g7oA9 LEU 178 HA 0.07 -0.02 0.45 -0.75 4.35 4.09 1g7oA9 LEU 178 HB2 0.09 0.09 0.08 -0.04 1.64 1.86 1g7oA9 LEU 178 HB3 0.09 0.05 0.12 -0.04 1.64 1.87 1g7oA9 LEU 178 HG 0.08 -0.02 -0.03 -0.04 1.64 1.62 1g7oA9 LEU 178 HD13 0.09 -0.02 -0.12 -0.04 0.93 0.85 1g7oA9 LEU 178 HD23 0.08 -0.02 -0.01 -0.04 0.89 0.90 1g7oA9 LEU 179 H 0.08 0.68 0.02 -0.55 8.37 8.60 1g7oA9 LEU 179 HA 0.09 -0.03 0.32 -0.75 4.35 3.97 1g7oA9 LEU 179 HB2 0.19 0.13 0.07 -0.04 1.64 2.00 1g7oA9 LEU 179 HB3 0.10 -0.04 -0.04 -0.04 1.64 1.61 1g7oA9 LEU 179 HG 0.17 0.19 -0.05 -0.04 1.64 1.91 1g7oA9 LEU 179 HD13 0.24 -0.01 -0.10 -0.04 0.93 1.02 1g7oA9 LEU 179 HD23 0.13 -0.03 -0.08 -0.04 0.89 0.87 1g7oA9 ARG 180 H -0.18 0.69 -0.23 -0.55 8.46 8.19 1g7oA9 ARG 180 HA -0.12 -0.05 0.35 -0.75 4.34 3.77 1g7oA9 ARG 180 HB2 -0.80 0.03 -0.04 -0.04 1.90 1.05 1g7oA9 ARG 180 HB3 -0.26 0.09 0.13 -0.04 1.80 1.73 1g7oA9 ARG 180 HG2 -0.11 -0.03 -0.06 -0.04 1.67 1.44 1g7oA9 ARG 180 HG3 -0.22 -0.02 -0.10 -0.04 1.67 1.29 1g7oA9 ARG 180 HD2 0.01 0.03 -0.28 -0.04 3.22 2.94 1g7oA9 ARG 180 HD3 0.01 -0.18 -0.23 -0.04 3.22 2.78 1g7oA9 ASN 181 H 0.01 0.65 -0.08 -0.55 8.53 8.55 1g7oA9 ASN 181 HA 0.21 -0.01 0.42 -0.75 4.76 4.62 1g7oA9 ASN 181 HB2 0.12 0.15 0.24 -0.04 2.88 3.35 1g7oA9 ASN 181 HB3 0.20 -0.08 0.02 -0.04 2.79 2.89 1g7oA9 ASN 181 HD21 0.07 0.54 0.11 -0.04 7.03 7.71 1g7oA9 ASN 181 HD22 0.12 -0.14 -0.01 -0.04 7.74 7.66 1g7oA9 LEU 182 H 0.10 0.62 -0.15 -0.55 8.37 8.41 1g7oA9 LEU 182 HA 0.23 -0.07 0.31 -0.75 4.35 4.07 1g7oA9 LEU 182 HB2 0.20 0.11 0.08 -0.04 1.64 1.98 1g7oA9 LEU 182 HB3 0.46 -0.03 0.03 -0.04 1.64 2.05 1g7oA9 LEU 182 HG 0.14 0.18 -0.03 -0.04 1.64 1.89 1g7oA9 LEU 182 HD13 0.18 -0.03 -0.10 -0.04 0.93 0.94 1g7oA9 LEU 182 HD23 0.14 -0.03 -0.04 -0.04 0.89 0.92 1g7oA9 THR 183 H -0.05 0.56 -0.33 -0.55 8.28 7.91 1g7oA9 THR 183 HA -0.55 0.06 0.39 -0.75 4.39 3.55 1g7oA9 THR 183 HB -0.33 -0.13 0.07 -0.04 4.32 3.89 1g7oA9 THR 183 HG23 -0.42 0.04 0.03 -0.04 1.22 0.83 1g7oA9 LEU 184 H 0.15 0.63 -0.25 -0.55 8.37 8.35 1g7oA9 LEU 184 HA 0.12 0.03 0.31 -0.75 4.35 4.06 1g7oA9 LEU 184 HB2 0.25 0.01 0.11 -0.04 1.64 1.97 1g7oA9 LEU 184 HB3 0.24 0.06 0.04 -0.04 1.64 1.95 1g7oA9 LEU 184 HG 0.18 -0.12 -0.05 -0.04 1.64 1.61 1g7oA9 LEU 184 HD13 0.01 0.03 -0.08 -0.04 0.93 0.84 1g7oA9 LEU 184 HD23 0.58 -0.01 -0.10 -0.04 0.89 1.33 1g7oA9 VAL 185 H 0.30 0.47 -0.43 -0.55 8.24 8.03 1g7oA9 VAL 185 HA 0.12 -0.01 0.51 -0.75 4.13 4.00 1g7oA9 VAL 185 HB 0.23 0.14 0.22 -0.04 2.12 2.67 1g7oA9 VAL 185 HG13 0.04 -0.04 -0.02 -0.04 0.97 0.91 1g7oA9 VAL 185 HG23 0.11 0.03 -0.12 -0.04 0.95 0.94 1g7oA9 ALA 186 H 0.14 0.16 0.18 -0.55 8.40 8.33 1g7oA9 ALA 186 HA 0.21 0.14 0.17 -0.75 4.34 4.11 1g7oA9 ALA 186 HB3 0.07 0.02 -0.06 -0.04 1.41 1.39 1g7oA9 GLY 187 H -0.04 -0.02 -0.40 -0.55 8.43 7.43 1g7oA9 GLY 187 HA2 -0.15 0.04 0.31 -0.51 4.01 3.71 1g7oA9 GLY 187 HA3 -0.10 -0.04 0.19 -0.51 4.01 3.55 1g7oA9 ILE 188 H -0.24 0.46 -0.22 -0.55 8.25 7.70 1g7oA9 ILE 188 HA -0.22 -0.01 0.43 -0.75 4.18 3.62 1g7oA9 ILE 188 HB -0.08 -0.08 0.02 -0.04 1.89 1.71 1g7oA9 ILE 188 HG12 -0.10 -0.00 -0.05 -0.04 1.49 1.29 1g7oA9 ILE 188 HG13 0.00 -0.07 -0.14 -0.04 1.21 0.96 1g7oA9 ILE 188 HG23 0.07 0.00 0.05 -0.04 0.93 1.01 1g7oA9 ILE 188 HD13 0.05 0.00 -0.49 -0.04 0.88 0.40 1g7oA9 ASN 189 H -0.23 0.09 0.12 -0.55 8.53 7.97 1g7oA9 ASN 189 HA -0.43 0.15 0.39 -0.75 4.76 4.11 1g7oA9 ASN 189 HB2 -0.17 0.07 0.08 -0.04 2.88 2.82 1g7oA9 ASN 189 HB3 -0.11 -0.07 0.18 -0.04 2.79 2.75 1g7oA9 ASN 189 HD21 -0.02 -0.05 -0.13 -0.04 7.03 6.79 1g7oA9 ASN 189 HD22 -0.00 -0.04 -0.16 -0.04 7.74 7.50 1g7oA9 TRP 190 H -0.65 0.38 0.19 -0.55 7.97 7.35 1g7oA9 TRP 190 HA 0.05 0.01 0.27 -0.75 4.62 4.19 1g7oA9 TRP 190 HB2 0.05 -0.03 0.12 -0.04 3.23 3.33 1g7oA9 TRP 190 HB3 0.07 -0.05 -0.03 -0.04 3.23 3.18 1g7oA9 TRP 190 HD1 0.06 -0.10 -0.15 -0.04 7.22 6.98 1g7oA9 TRP 190 HE1 0.05 0.04 -0.22 -0.04 10.20 10.03 1g7oA9 TRP 190 HE3 0.04 -0.09 0.03 -0.04 7.59 7.53 1g7oA9 TRP 190 HZ2 0.04 0.11 -0.30 -0.04 7.44 7.25 1g7oA9 TRP 190 HZ3 0.03 -0.07 0.01 -0.04 7.13 7.06 1g7oA9 TRP 190 HH2 0.03 -0.03 -0.03 -0.04 7.19 7.12 1g7oA9 PRO 191 HA 0.10 0.15 0.41 -0.51 4.44 4.58 1g7oA9 PRO 191 HB2 0.10 -0.16 -0.02 -0.04 2.28 2.16 1g7oA9 PRO 191 HB3 0.07 0.00 0.14 -0.04 2.02 2.20 1g7oA9 PRO 191 HG2 0.10 0.06 -0.39 -0.04 2.03 1.77 1g7oA9 PRO 191 HG3 0.08 0.15 0.03 -0.04 2.03 2.25 1g7oA9 PRO 191 HD2 0.19 -0.01 0.13 -0.04 3.68 3.95 1g7oA9 PRO 191 HD3 0.14 0.32 0.24 -0.04 3.65 4.32 1g7oA9 SER 192 H 0.07 0.17 0.15 -0.55 8.46 8.30 1g7oA9 SER 192 HA 0.09 0.15 0.30 -0.75 4.49 4.27 1g7oA9 SER 192 HB2 0.05 0.07 0.02 -0.04 3.95 4.06 1g7oA9 SER 192 HB3 0.05 0.08 0.12 -0.04 3.93 4.14 1g7oA9 ARG 193 H 0.06 0.14 0.05 -0.55 8.46 8.17 1g7oA9 ARG 193 HA 0.07 0.07 0.35 -0.75 4.34 4.08 1g7oA9 ARG 193 HB2 0.04 -0.02 0.10 -0.04 1.90 1.98 1g7oA9 ARG 193 HB3 0.05 0.07 0.00 -0.04 1.80 1.88 1g7oA9 ARG 193 HG2 0.04 -0.16 0.08 -0.04 1.67 1.59 1g7oA9 ARG 193 HG3 0.03 0.20 0.02 -0.04 1.67 1.88 1g7oA9 ARG 193 HD2 0.05 -0.09 -0.00 -0.04 3.22 3.13 1g7oA9 ARG 193 HD3 0.03 -0.00 -0.00 -0.04 3.22 3.20 1g7oA9 VAL 194 H 0.09 0.01 -0.47 -0.55 8.24 7.32 1g7oA9 VAL 194 HA 0.08 0.03 0.32 -0.75 4.13 3.81 1g7oA9 VAL 194 HB 0.16 0.12 -0.07 -0.04 2.12 2.28 1g7oA9 VAL 194 HG13 0.16 0.01 -0.15 -0.04 0.97 0.95 1g7oA9 VAL 194 HG23 0.08 -0.01 -0.04 -0.04 0.95 0.94 1g7oA9 ALA 195 H 0.14 0.65 -0.19 -0.55 8.40 8.46 1g7oA9 ALA 195 HA 0.07 -0.02 0.34 -0.75 4.34 3.97 1g7oA9 ALA 195 HB3 0.12 0.03 0.05 -0.04 1.41 1.57 1g7oA9 ASP 196 H 0.09 0.69 -0.12 -0.55 8.40 8.52 1g7oA9 ASP 196 HA 0.04 0.01 0.34 -0.75 4.63 4.26 1g7oA9 ASP 196 HB2 0.09 0.03 0.18 -0.04 2.71 2.97 1g7oA9 ASP 196 HB3 0.05 -0.00 0.02 -0.04 2.70 2.72 1g7oA9 TYR 197 H 0.19 0.71 -0.03 -0.55 8.29 8.61 1g7oA9 TYR 197 HA -0.02 0.04 0.25 -0.75 4.56 4.08 1g7oA9 TYR 197 HB2 0.03 -0.01 0.04 -0.04 3.06 3.07 1g7oA9 TYR 197 HB3 0.05 0.16 0.14 -0.04 2.98 3.29 1g7oA9 TYR 197 HD2 0.06 0.07 -0.16 -0.04 7.15 7.07 1g7oA9 TYR 197 HE2 0.12 -0.12 -0.22 -0.04 6.85 6.59 1g7oA9 ARG 198 H 0.26 0.69 -0.23 -0.55 8.46 8.63 1g7oA9 ARG 198 HA 0.21 -0.06 0.28 -0.75 4.34 4.02 1g7oA9 ARG 198 HB2 0.23 0.03 0.02 -0.04 1.90 2.15 1g7oA9 ARG 198 HB3 0.08 0.11 0.13 -0.04 1.80 2.08 1g7oA9 ARG 198 HG2 0.21 -0.02 -0.25 -0.04 1.67 1.57 1g7oA9 ARG 198 HG3 0.35 -0.06 -0.12 -0.04 1.67 1.81 1g7oA9 ARG 198 HD2 -0.14 0.01 -0.24 -0.04 3.22 2.81 1g7oA9 ARG 198 HD3 -0.09 -0.02 -0.17 -0.04 3.22 2.91 1g7oA9 ASP 199 H 0.00 0.76 -0.03 -0.55 8.40 8.58 1g7oA9 ASP 199 HA -0.04 -0.01 0.41 -0.75 4.63 4.23 1g7oA9 ASP 199 HB2 -0.03 -0.06 0.08 -0.04 2.71 2.66 1g7oA9 ASP 199 HB3 -0.01 0.02 0.11 -0.04 2.70 2.77 1g7oA9 ASN 200 H -0.11 0.67 -0.12 -0.55 8.53 8.42 1g7oA9 ASN 200 HA -0.13 -0.02 0.47 -0.75 4.76 4.33 1g7oA9 ASN 200 HB2 -0.19 0.14 0.23 -0.04 2.88 3.02 1g7oA9 ASN 200 HB3 -0.17 -0.06 0.08 -0.04 2.79 2.60 1g7oA9 ASN 200 HD21 -0.06 0.56 0.15 -0.04 7.03 7.64 1g7oA9 ASN 200 HD22 -0.03 -0.14 0.01 -0.04 7.74 7.54 1g7oA9 MET 201 H -0.49 0.76 -0.02 -0.55 8.47 8.18 1g7oA9 MET 201 HA -0.46 -0.01 0.39 -0.75 4.52 3.68 1g7oA9 MET 201 HB2 -1.53 0.08 0.11 -0.04 2.15 0.77 1g7oA9 MET 201 HB3 -1.12 -0.08 0.02 -0.04 2.03 0.82 1g7oA9 MET 201 HG2 -0.66 -0.04 0.05 -0.04 2.63 1.94 1g7oA9 MET 201 HG3 -1.26 0.06 -0.05 -0.04 2.56 1.27 1g7oA9 MET 201 HE3 -0.16 -0.03 -0.01 -0.04 2.10 1.86 1g7oA9 ALA 202 H -0.60 0.68 -0.17 -0.55 8.40 7.77 1g7oA9 ALA 202 HA -0.01 -0.05 0.41 -0.75 4.34 3.93 1g7oA9 ALA 202 HB3 0.05 0.04 0.09 -0.04 1.41 1.55 1g7oA9 LYS 203 H -0.14 0.69 -0.06 -0.55 8.42 8.35 1g7oA9 LYS 203 HA -0.04 -0.03 0.40 -0.75 4.32 3.89 1g7oA9 LYS 203 HB2 -0.09 0.14 0.21 -0.04 1.87 2.09 1g7oA9 LYS 203 HB3 -0.05 -0.05 0.02 -0.04 1.79 1.66 1g7oA9 LYS 203 HG2 -0.04 -0.07 0.03 -0.04 1.46 1.35 1g7oA9 LYS 203 HG3 -0.06 0.12 0.09 -0.04 1.46 1.58 1g7oA9 LYS 203 HD2 -0.06 0.01 -0.06 -0.04 1.69 1.54 1g7oA9 LYS 203 HD3 -0.04 -0.03 -0.01 -0.04 1.68 1.56 1g7oA9 LYS 203 HE2 -0.02 -0.04 -0.04 -0.04 2.99 2.85 1g7oA9 LYS 203 HE3 -0.02 -0.03 -0.02 -0.04 2.99 2.88 1g7oA9 GLN 204 H -0.16 0.62 -0.10 -0.55 8.47 8.28 1g7oA9 GLN 204 HA -0.07 -0.00 0.33 -0.75 4.36 3.87 1g7oA9 GLN 204 HB2 -0.19 0.04 0.16 -0.04 2.15 2.11 1g7oA9 GLN 204 HB3 -0.10 -0.04 -0.02 -0.04 2.02 1.83 1g7oA9 GLN 204 HG2 -0.09 -0.04 0.00 -0.04 2.40 2.23 1g7oA9 GLN 204 HG3 -0.13 0.08 0.04 -0.04 2.39 2.35 1g7oA9 GLN 204 HE21 -0.13 0.04 -0.04 -0.04 6.97 6.79 1g7oA9 GLN 204 HE22 -0.18 -0.11 -0.06 -0.04 7.69 7.31 1g7oA9 THR 205 H -0.11 0.64 -0.12 -0.55 8.28 8.14 1g7oA9 THR 205 HA 0.02 0.03 0.38 -0.75 4.39 4.07 1g7oA9 THR 205 HB 0.14 -0.07 -0.05 -0.04 4.32 4.30 1g7oA9 THR 205 HG23 0.05 -0.01 0.00 -0.04 1.22 1.23 1g7oA9 GLN 206 H 0.00 0.63 -0.05 -0.55 8.47 8.50 1g7oA9 GLN 206 HA 0.02 0.04 0.22 -0.75 4.36 3.89 1g7oA9 GLN 206 HB2 0.03 0.16 0.24 -0.04 2.15 2.54 1g7oA9 GLN 206 HB3 0.02 -0.14 0.17 -0.04 2.02 2.03 1g7oA9 GLN 206 HG2 0.00 0.16 -0.34 -0.04 2.40 2.18 1g7oA9 GLN 206 HG3 0.01 -0.06 -0.06 -0.04 2.39 2.23 1g7oA9 GLN 206 HE21 -0.02 0.68 0.13 -0.04 6.97 7.73 1g7oA9 GLN 206 HE22 -0.01 -0.18 0.04 -0.04 7.69 7.50 1g7oA9 ILE 207 H 0.12 0.11 -0.18 -0.55 8.25 7.76 1g7oA9 ILE 207 HA 0.08 0.05 0.66 -0.75 4.18 4.22 1g7oA9 ILE 207 HB 0.39 -0.03 -0.00 -0.04 1.89 2.21 1g7oA9 ILE 207 HG12 0.09 -0.04 -0.08 -0.04 1.49 1.42 1g7oA9 ILE 207 HG13 0.14 0.11 -0.28 -0.04 1.21 1.14 1g7oA9 ILE 207 HG23 0.03 -0.01 -0.17 -0.04 0.93 0.74 1g7oA9 ILE 207 HD13 0.17 -0.03 -0.08 -0.04 0.88 0.90 1g7oA9 ASN 208 H 0.05 0.08 0.10 -0.55 8.53 8.22 1g7oA9 ASN 208 HA 0.04 0.04 0.43 -0.75 4.76 4.52 1g7oA9 ASN 208 HB2 0.01 0.04 0.06 -0.04 2.88 2.94 1g7oA9 ASN 208 HB3 0.02 0.02 0.09 -0.04 2.79 2.88 1g7oA9 ASN 208 HD21 -0.01 0.52 -0.28 -0.04 7.03 7.22 1g7oA9 ASN 208 HD22 0.01 -0.12 -0.21 -0.04 7.74 7.38 1g7oA9 LEU 209 H 0.02 0.08 0.13 -0.55 8.37 8.05 1g7oA9 LEU 209 HA -0.00 0.20 0.68 -0.75 4.35 4.47 1g7oA9 LEU 209 HB2 -0.03 -0.03 0.06 -0.04 1.64 1.59 1g7oA9 LEU 209 HB3 -0.08 -0.08 0.14 -0.04 1.64 1.58 1g7oA9 LEU 209 HG 0.03 0.05 0.01 -0.04 1.64 1.69 1g7oA9 LEU 209 HD13 -0.06 0.01 -0.02 -0.04 0.93 0.81 1g7oA9 LEU 209 HD23 0.11 0.04 -0.14 -0.04 0.89 0.86 1g7oA9 LEU 210 H -0.04 0.22 0.06 -0.55 8.37 8.05 1g7oA9 LEU 210 HA -0.06 0.18 0.61 -0.75 4.35 4.32 1g7oA9 LEU 210 HB2 0.03 0.03 -0.13 -0.04 1.64 1.52 1g7oA9 LEU 210 HB3 -0.07 0.02 -0.03 -0.04 1.64 1.53 1g7oA9 LEU 210 HG 0.03 -0.00 -0.29 -0.04 1.64 1.34 1g7oA9 LEU 210 HD13 0.26 0.04 -0.06 -0.04 0.93 1.13 1g7oA9 LEU 210 HD23 -0.14 0.02 -0.17 -0.04 0.89 0.56 1g7oA9 SER 211 H -0.05 0.03 -0.16 -0.55 8.46 7.74 1g7oA9 SER 211 HA 0.05 0.20 0.32 -0.75 4.49 4.30 1g7oA9 SER 211 HB2 -0.01 -0.04 0.01 -0.04 3.95 3.87 1g7oA9 SER 211 HB3 0.02 0.08 0.02 -0.04 3.93 4.02 1g7oA9 SER 212 H -0.01 0.07 -0.33 -0.55 8.46 7.65 1g7oA9 SER 212 HA 0.01 0.04 0.27 -0.75 4.49 4.06 1g7oA9 SER 212 HB2 -0.03 0.04 -0.11 -0.04 3.95 3.81 1g7oA9 SER 212 HB3 -0.01 0.02 0.02 -0.04 3.93 3.91 1g7oA9 MET 213 H -0.03 0.47 -0.48 -0.55 8.47 7.88 1g7oA9 MET 213 HA -0.02 0.14 0.72 -0.75 4.52 4.61 1g7oA9 MET 213 HB2 -0.10 -0.02 0.07 -0.04 2.15 2.06 1g7oA9 MET 213 HB3 -0.09 -0.05 -0.11 -0.04 2.03 1.74 1g7oA9 MET 213 HG2 -0.14 -0.07 -0.05 -0.04 2.63 2.33 1g7oA9 MET 213 HG3 -0.19 0.05 -0.14 -0.04 2.56 2.24 1g7oA9 MET 213 HE3 -0.63 -0.03 -0.20 -0.04 2.10 1.19 1g7oA9 ALA 214 H 0.03 0.45 -0.08 -0.55 8.40 8.26 1g7oA9 ALA 214 HA 0.08 0.04 0.58 -0.75 4.34 4.29 1g7oA9 ALA 214 HB3 0.16 -0.03 0.04 -0.04 1.41 1.54 1g7oA9 ILE 215 H 0.09 0.56 0.35 -0.55 8.25 8.70 1g7oA9 ILE 215 HA 0.04 0.14 0.51 -0.75 4.18 4.13 1g7oA9 ILE 215 HB 0.02 -0.06 0.08 -0.04 1.89 1.89 1g7oA9 ILE 215 HG12 0.05 0.17 0.04 -0.04 1.49 1.71 1g7oA9 ILE 215 HG13 0.05 -0.05 0.12 -0.04 1.21 1.29 1g7oA9 ILE 215 HG23 0.02 0.04 -0.20 -0.04 0.93 0.75 1g7oA9 ILE 215 HD13 0.02 -0.02 0.04 -0.04 0.88 0.88