============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. HIS 2 0.900 -4.411 -13.720 -10.830 -99.200 -91.000 PHE 7 1.000 -13.523 -3.830 -2.487 -99.200 -91.000 TRP 28 1.040 4.988 1.689 5.688 -99.200 -91.000 TRP6 28 1.020 2.984 0.635 5.067 -99.200 -91.000 PHE 39 1.000 7.463 -14.501 -0.533 -99.200 -91.000 PHE 47 1.000 -1.471 -6.564 -9.612 -99.200 -91.000 PHE 49 1.000 7.461 1.731 -7.998 -99.200 -91.000 PHE 69 1.000 2.552 -12.745 -5.729 -99.200 -91.000 PHE 78 1.000 0.466 -3.204 1.553 -99.200 -91.000 TRP 83 1.040 -7.021 4.101 0.982 -99.200 -91.000 TRP6 83 1.020 -6.306 4.186 -1.253 -99.200 -91.000 PHE 100 1.000 7.232 6.725 6.034 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1mp1A9 SER 24 HA 0.05 -0.02 0.08 -0.75 4.49 3.84 1mp1A9 SER 24 HB3 0.05 -0.03 0.05 -0.04 3.93 3.95 1mp1A9 SER 24 HB2 0.06 0.03 0.10 -0.04 3.95 4.10 1mp1A9 HIS 25 H 0.08 -0.12 0.09 -0.55 8.41 7.91 1mp1A9 HIS 25 HA 0.05 0.21 0.86 -0.75 4.63 5.00 1mp1A9 HIS 25 HB3 0.07 -0.07 0.04 -0.04 3.20 3.19 1mp1A9 HIS 25 HD2 0.17 -0.06 -0.03 -0.04 6.97 7.01 1mp1A9 HIS 25 HE1 0.06 -0.00 0.00 -0.04 7.75 7.76 1mp1A9 HIS 25 HB2 0.12 0.04 -0.07 -0.04 3.26 3.31 1mp1A9 MET 26 H -0.05 -0.13 0.17 -0.55 8.47 7.91 1mp1A9 MET 26 HA -0.09 0.27 1.04 -0.75 4.52 4.98 1mp1A9 MET 26 HB3 -0.26 0.07 0.02 -0.04 2.03 1.82 1mp1A9 MET 26 HG3 -0.14 0.07 -0.00 -0.04 2.56 2.45 1mp1A9 MET 26 HE3 -0.05 0.01 0.11 -0.04 2.10 2.13 1mp1A9 MET 26 HB2 -0.11 0.09 -0.11 -0.04 2.15 1.99 1mp1A9 MET 26 HG2 -0.13 -0.22 0.16 -0.04 2.63 2.41 1mp1A9 GLN 27 H -0.05 -0.05 0.10 -0.55 8.47 7.91 1mp1A9 GLN 27 HA -0.01 -0.06 0.41 -0.75 4.36 3.95 1mp1A9 GLN 27 HB3 -0.01 0.31 0.04 -0.04 2.02 2.33 1mp1A9 GLN 27 HG3 -0.02 0.02 -0.18 -0.04 2.39 2.16 1mp1A9 GLN 27 HE21 -0.04 -0.03 -0.05 -0.04 6.97 6.81 1mp1A9 GLN 27 HE22 0.09 0.04 0.09 -0.04 7.69 7.86 1mp1A9 GLN 27 HB2 0.01 -0.06 -0.17 -0.04 2.15 1.89 1mp1A9 GLN 27 HG2 0.01 -0.01 -0.05 -0.04 2.40 2.30 1mp1A9 LEU 28 H -0.02 0.24 0.19 -0.55 8.37 8.23 1mp1A9 LEU 28 HA -0.09 0.11 0.37 -0.75 4.35 4.00 1mp1A9 LEU 28 HB3 -0.06 0.25 0.09 -0.04 1.64 1.89 1mp1A9 LEU 28 HG -0.04 0.01 -0.13 -0.04 1.64 1.44 1mp1A9 LEU 28 HD13 -0.05 0.06 -0.44 -0.04 0.93 0.46 1mp1A9 LEU 28 HD23 -0.02 0.05 -0.32 -0.04 0.89 0.57 1mp1A9 LEU 28 HB2 -0.08 -0.13 0.17 -0.04 1.64 1.57 1mp1A9 LYS 29 H -0.16 0.15 0.15 -0.55 8.42 8.00 1mp1A9 LYS 29 HA -0.78 0.13 0.74 -0.75 4.32 3.65 1mp1A9 LYS 29 HB3 -0.17 -0.01 0.11 -0.04 1.79 1.68 1mp1A9 LYS 29 HG3 -0.38 -0.06 0.12 -0.04 1.46 1.10 1mp1A9 LYS 29 HD3 -0.09 -0.02 -0.02 -0.04 1.68 1.50 1mp1A9 LYS 29 HE3 -0.13 -0.02 0.02 -0.04 2.99 2.82 1mp1A9 LYS 29 HB2 -0.26 0.02 0.07 -0.04 1.87 1.66 1mp1A9 LYS 29 HG2 -0.20 0.17 -0.12 -0.04 1.46 1.27 1mp1A9 LYS 29 HD2 -0.12 -0.02 0.01 -0.04 1.69 1.51 1mp1A9 LYS 29 HE2 -0.07 0.03 0.01 -0.04 2.99 2.92 1mp1A9 PHE 30 H -1.08 0.16 0.16 -0.55 8.34 7.02 1mp1A9 PHE 30 HA -0.05 0.20 0.85 -0.75 4.62 4.86 1mp1A9 PHE 30 HB3 -0.10 -0.00 0.01 -0.04 3.06 2.93 1mp1A9 PHE 30 HD2 -0.07 0.14 -0.09 -0.04 7.28 7.22 1mp1A9 PHE 30 HE2 -0.05 0.03 0.02 -0.04 7.38 7.34 1mp1A9 PHE 30 HZ -0.04 0.02 0.01 -0.04 7.32 7.27 1mp1A9 PHE 30 HB2 -0.11 -0.07 0.11 -0.04 3.15 3.04 1mp1A9 ALA 31 H 0.12 0.04 0.09 -0.55 8.40 8.09 1mp1A9 ALA 31 HA 0.05 0.25 0.64 -0.75 4.34 4.53 1mp1A9 ALA 31 HB3 0.03 -0.02 0.13 -0.04 1.41 1.51 1mp1A9 GLU 32 H 0.04 0.07 0.20 -0.55 8.60 8.36 1mp1A9 GLU 32 HA 0.06 0.32 0.97 -0.75 4.29 4.88 1mp1A9 GLU 32 HB3 0.04 0.07 0.01 -0.04 1.99 2.07 1mp1A9 GLU 32 HG3 0.04 0.06 -0.07 -0.04 2.34 2.33 1mp1A9 GLU 32 HB2 0.04 0.08 0.04 -0.04 2.09 2.21 1mp1A9 GLU 32 HG2 0.04 -0.11 0.17 -0.04 2.34 2.39 1mp1A9 CYS 33 H 0.05 0.08 0.17 -0.55 8.50 8.25 1mp1A9 CYS 33 HA 0.10 0.18 0.33 -0.75 4.58 4.43 1mp1A9 CYS 33 HB3 0.14 0.09 0.07 -0.04 2.97 3.23 1mp1A9 CYS 33 HB2 0.10 -0.02 0.04 -0.04 2.97 3.04 1mp1A9 LEU 34 H -0.05 -0.05 -0.86 -0.55 8.37 6.86 1mp1A9 LEU 34 HA -1.06 0.09 0.30 -0.75 4.35 2.93 1mp1A9 LEU 34 HB3 -0.81 -0.07 -0.05 -0.04 1.64 0.68 1mp1A9 LEU 34 HG -0.10 -0.14 -0.18 -0.04 1.64 1.18 1mp1A9 LEU 34 HD13 -0.19 -0.01 -0.02 -0.04 0.93 0.67 1mp1A9 LEU 34 HD23 -0.19 -0.00 -0.20 -0.04 0.89 0.46 1mp1A9 LEU 34 HB2 -0.33 0.15 -0.24 -0.04 1.64 1.19 1mp1A9 GLU 35 H 0.04 0.85 -0.50 -0.55 8.60 8.44 1mp1A9 GLU 35 HA 0.06 0.07 0.66 -0.75 4.29 4.32 1mp1A9 GLU 35 HB3 0.04 -0.02 0.16 -0.04 1.99 2.12 1mp1A9 GLU 35 HG3 0.02 0.09 0.14 -0.04 2.34 2.56 1mp1A9 GLU 35 HB2 0.05 0.06 0.06 -0.04 2.09 2.22 1mp1A9 GLU 35 HG2 -0.07 -0.16 -0.15 -0.04 2.34 1.93 1mp1A9 LYS 36 H 0.50 0.40 -0.48 -0.55 8.42 8.28 1mp1A9 LYS 36 HA 0.10 0.07 0.56 -0.75 4.32 4.29 1mp1A9 LYS 36 HB3 -0.00 0.02 0.12 -0.04 1.79 1.88 1mp1A9 LYS 36 HG3 0.14 -0.11 0.12 -0.04 1.46 1.57 1mp1A9 LYS 36 HD3 -0.00 0.06 0.06 -0.04 1.68 1.75 1mp1A9 LYS 36 HE3 0.04 -0.03 -0.03 -0.04 2.99 2.93 1mp1A9 LYS 36 HB2 0.29 0.10 0.13 -0.04 1.87 2.34 1mp1A9 LYS 36 HG2 0.10 -0.06 -0.04 -0.04 1.46 1.42 1mp1A9 LYS 36 HD2 0.02 -0.06 0.02 -0.04 1.69 1.64 1mp1A9 LYS 36 HE2 0.01 0.04 0.01 -0.04 2.99 3.01 1mp1A9 LYS 37 H 0.56 0.01 -0.42 -0.55 8.42 8.02 1mp1A9 LYS 37 HA 0.40 -0.05 0.31 -0.75 4.32 4.22 1mp1A9 LYS 37 HB3 0.03 0.00 0.15 -0.04 1.79 1.93 1mp1A9 LYS 37 HG3 0.18 -0.07 -0.00 -0.04 1.46 1.53 1mp1A9 LYS 37 HD3 0.06 0.06 -0.23 -0.04 1.68 1.52 1mp1A9 LYS 37 HE3 0.04 -0.06 -0.00 -0.04 2.99 2.92 1mp1A9 LYS 37 HB2 0.03 0.17 -0.26 -0.04 1.87 1.77 1mp1A9 LYS 37 HG2 0.08 -0.02 0.01 -0.04 1.46 1.49 1mp1A9 LYS 37 HD2 0.09 0.17 -0.08 -0.04 1.69 1.82 1mp1A9 LYS 37 HE2 0.03 -0.00 -0.02 -0.04 2.99 2.96 1mp1A9 VAL 38 H -0.11 0.15 0.16 -0.55 8.24 7.89 1mp1A9 VAL 38 HA -0.34 0.24 0.54 -0.75 4.13 3.82 1mp1A9 VAL 38 HB -0.48 -0.08 0.07 -0.04 2.12 1.60 1mp1A9 VAL 38 HG13 -1.66 0.02 -0.33 -0.04 0.97 -1.04 1mp1A9 VAL 38 HG23 -0.32 -0.02 -0.07 -0.04 0.95 0.50 1mp1A9 ASP 39 H -0.21 0.11 -0.03 -0.55 8.40 7.72 1mp1A9 ASP 39 HA -0.06 0.35 0.62 -0.75 4.63 4.78 1mp1A9 ASP 39 HB3 -0.08 -0.06 0.16 -0.04 2.70 2.68 1mp1A9 ASP 39 HB2 -0.09 0.19 -0.29 -0.04 2.71 2.48 1mp1A9 MET 40 H -0.04 0.36 0.18 -0.55 8.47 8.42 1mp1A9 MET 40 HA -0.06 0.11 0.50 -0.75 4.52 4.32 1mp1A9 MET 40 HB3 -0.00 0.01 0.16 -0.04 2.03 2.16 1mp1A9 MET 40 HG3 0.03 0.21 -0.03 -0.04 2.56 2.72 1mp1A9 MET 40 HE3 -0.11 -0.04 -0.18 -0.04 2.10 1.73 1mp1A9 MET 40 HB2 0.00 0.08 0.27 -0.04 2.15 2.46 1mp1A9 MET 40 HG2 -0.03 -0.21 0.01 -0.04 2.63 2.37 1mp1A9 SER 41 H -0.03 0.06 -0.20 -0.55 8.46 7.74 1mp1A9 SER 41 HA -0.01 0.11 0.41 -0.75 4.49 4.25 1mp1A9 SER 41 HB3 -0.02 0.05 -0.03 -0.04 3.93 3.89 1mp1A9 SER 41 HB2 -0.01 -0.08 0.11 -0.04 3.95 3.93 1mp1A9 LYS 42 H -0.05 0.27 -0.57 -0.55 8.42 7.51 1mp1A9 LYS 42 HA -0.04 0.19 0.91 -0.75 4.32 4.62 1mp1A9 LYS 42 HB3 -0.05 0.08 0.09 -0.04 1.79 1.86 1mp1A9 LYS 42 HG3 -0.05 0.00 -0.03 -0.04 1.46 1.34 1mp1A9 LYS 42 HD3 -0.03 -0.07 -0.28 -0.04 1.68 1.27 1mp1A9 LYS 42 HE3 -0.03 0.05 -0.01 -0.04 2.99 2.96 1mp1A9 LYS 42 HB2 -0.07 0.01 0.07 -0.04 1.87 1.84 1mp1A9 LYS 42 HG2 -0.04 -0.20 -0.19 -0.04 1.46 0.98 1mp1A9 LYS 42 HD2 -0.03 0.14 -0.09 -0.04 1.69 1.67 1mp1A9 LYS 42 HE2 -0.03 -0.06 -0.03 -0.04 2.99 2.83 1mp1A9 VAL 43 H -0.07 0.40 0.26 -0.55 8.24 8.28 1mp1A9 VAL 43 HA -0.07 0.11 0.83 -0.75 4.13 4.25 1mp1A9 VAL 43 HB -0.12 -0.05 -0.29 -0.04 2.12 1.62 1mp1A9 VAL 43 HG13 -0.14 -0.03 -0.08 -0.04 0.97 0.68 1mp1A9 VAL 43 HG23 -0.13 -0.02 -0.19 -0.04 0.95 0.57 1mp1A9 ASN 44 H -0.05 0.62 0.38 -0.55 8.53 8.94 1mp1A9 ASN 44 HA -0.02 0.19 0.79 -0.75 4.76 4.97 1mp1A9 ASN 44 HB3 0.00 -0.38 0.04 -0.04 2.79 2.40 1mp1A9 ASN 44 HD21 0.01 -0.09 0.03 -0.04 7.03 6.94 1mp1A9 ASN 44 HD22 0.00 -0.01 0.03 -0.04 7.74 7.72 1mp1A9 ASN 44 HB2 -0.01 0.33 0.23 -0.04 2.88 3.40 1mp1A9 LEU 45 H -0.01 0.24 0.27 -0.55 8.37 8.32 1mp1A9 LEU 45 HA -0.03 0.17 0.77 -0.75 4.35 4.51 1mp1A9 LEU 45 HB3 -0.01 0.17 0.15 -0.04 1.64 1.91 1mp1A9 LEU 45 HG 0.01 0.36 -0.04 -0.04 1.64 1.92 1mp1A9 LEU 45 HD13 -0.01 -0.06 -0.07 -0.04 0.93 0.75 1mp1A9 LEU 45 HD23 -0.19 -0.05 -0.16 -0.04 0.89 0.45 1mp1A9 LEU 45 HB2 -0.02 -0.05 0.10 -0.04 1.64 1.63 1mp1A9 GLU 46 H -0.01 0.15 0.10 -0.55 8.60 8.30 1mp1A9 GLU 46 HA -0.07 0.11 0.45 -0.75 4.29 4.02 1mp1A9 GLU 46 HB3 0.01 0.06 -0.04 -0.04 1.99 1.99 1mp1A9 GLU 46 HG3 0.05 0.07 0.05 -0.04 2.34 2.47 1mp1A9 GLU 46 HB2 0.01 0.03 0.16 -0.04 2.09 2.25 1mp1A9 GLU 46 HG2 0.02 -0.01 0.07 -0.04 2.34 2.38 1mp1A9 VAL 47 H 0.02 0.18 -0.32 -0.55 8.24 7.56 1mp1A9 VAL 47 HA -0.00 0.11 0.42 -0.75 4.13 3.90 1mp1A9 VAL 47 HB 0.19 -0.01 0.11 -0.04 2.12 2.37 1mp1A9 VAL 47 HG13 0.03 0.02 -0.02 -0.04 0.97 0.96 1mp1A9 VAL 47 HG23 0.07 0.01 -0.03 -0.04 0.95 0.96 1mp1A9 ILE 48 H 0.03 0.32 -0.98 -0.55 8.25 7.08 1mp1A9 ILE 48 HA 0.27 0.13 0.88 -0.75 4.18 4.70 1mp1A9 ILE 48 HB 0.04 0.05 0.05 -0.04 1.89 1.99 1mp1A9 ILE 48 HG13 -0.07 0.02 0.06 -0.04 1.21 1.18 1mp1A9 ILE 48 HG23 -0.09 -0.02 0.07 -0.04 0.93 0.84 1mp1A9 ILE 48 HD13 0.01 0.05 -0.22 -0.04 0.88 0.67 1mp1A9 ILE 48 HG12 0.01 -0.12 -0.07 -0.04 1.49 1.27 1mp1A9 LYS 49 H -0.01 0.41 -0.16 -0.55 8.42 8.11 1mp1A9 LYS 49 HA -0.11 0.01 0.46 -0.75 4.32 3.92 1mp1A9 LYS 49 HB3 -0.12 -0.05 0.04 -0.04 1.79 1.62 1mp1A9 LYS 49 HG3 -0.22 -0.03 0.08 -0.04 1.46 1.25 1mp1A9 LYS 49 HD3 -1.35 -0.02 0.00 -0.04 1.68 0.27 1mp1A9 LYS 49 HE3 -0.91 0.01 -0.09 -0.04 2.99 1.95 1mp1A9 LYS 49 HB2 -0.06 0.29 0.25 -0.04 1.87 2.32 1mp1A9 LYS 49 HG2 -0.25 0.18 0.02 -0.04 1.46 1.37 1mp1A9 LYS 49 HD2 -2.08 0.04 -0.05 -0.04 1.69 -0.44 1mp1A9 LYS 49 HE2 -0.35 0.05 -0.13 -0.04 2.99 2.52 1mp1A9 PRO 50 HA 0.04 0.10 0.47 -0.51 4.44 4.53 1mp1A9 PRO 50 HB3 -0.00 0.05 0.03 -0.04 2.02 2.06 1mp1A9 PRO 50 HG3 -0.04 0.07 0.01 -0.04 2.03 2.04 1mp1A9 PRO 50 HD3 -0.00 0.38 0.19 -0.04 3.65 4.17 1mp1A9 PRO 50 HB2 -0.02 0.04 -0.09 -0.04 2.28 2.18 1mp1A9 PRO 50 HG2 -0.08 0.12 -0.05 -0.04 2.03 1.98 1mp1A9 PRO 50 HD2 0.05 -0.04 -0.53 -0.04 3.68 3.13 1mp1A9 TRP 51 H 0.26 0.16 -0.50 -0.55 7.97 7.34 1mp1A9 TRP 51 HA 0.04 0.12 0.46 -0.75 4.62 4.49 1mp1A9 TRP 51 HB3 0.13 0.03 0.15 -0.04 3.23 3.49 1mp1A9 TRP 51 HD1 0.35 0.01 -0.03 -0.04 7.22 7.52 1mp1A9 TRP 51 HE1 0.07 0.02 -0.04 -0.04 10.20 10.21 1mp1A9 TRP 51 HE3 -0.05 0.05 -0.36 -0.04 7.59 7.19 1mp1A9 TRP 51 HZ2 -0.06 0.04 -0.08 -0.04 7.44 7.29 1mp1A9 TRP 51 HZ3 -0.78 -0.05 -0.08 -0.04 7.13 6.19 1mp1A9 TRP 51 HH2 -0.31 0.04 -0.11 -0.04 7.19 6.76 1mp1A9 TRP 51 HB2 0.20 0.09 0.09 -0.04 3.23 3.57 1mp1A9 ILE 52 H 0.38 1.02 0.01 -0.55 8.25 9.11 1mp1A9 ILE 52 HA 0.44 0.02 0.46 -0.75 4.18 4.35 1mp1A9 ILE 52 HB 0.23 0.29 0.20 -0.04 1.89 2.57 1mp1A9 ILE 52 HG13 0.58 -0.05 -0.00 -0.04 1.21 1.70 1mp1A9 ILE 52 HG23 0.29 -0.03 -0.14 -0.04 0.93 1.00 1mp1A9 ILE 52 HD13 0.16 0.04 -0.03 -0.04 0.88 1.01 1mp1A9 ILE 52 HG12 0.53 -0.07 -0.02 -0.04 1.49 1.89 1mp1A9 THR 53 H 0.12 0.75 -0.04 -0.55 8.28 8.56 1mp1A9 THR 53 HA 0.09 -0.08 0.36 -0.75 4.39 4.01 1mp1A9 THR 53 HB 0.06 0.03 0.14 -0.04 4.32 4.51 1mp1A9 THR 53 HG23 0.07 -0.02 -0.05 -0.04 1.22 1.18 1mp1A9 LYS 54 H 0.01 0.34 -0.62 -0.55 8.42 7.60 1mp1A9 LYS 54 HA -0.04 0.05 0.48 -0.75 4.32 4.06 1mp1A9 LYS 54 HB3 -0.13 0.06 0.19 -0.04 1.79 1.86 1mp1A9 LYS 54 HG3 -0.06 -0.01 0.01 -0.04 1.46 1.36 1mp1A9 LYS 54 HD3 -0.16 -0.01 -0.09 -0.04 1.68 1.37 1mp1A9 LYS 54 HE3 -0.05 0.02 -0.02 -0.04 2.99 2.90 1mp1A9 LYS 54 HB2 -0.04 0.03 0.13 -0.04 1.87 1.95 1mp1A9 LYS 54 HG2 -0.11 -0.06 -0.05 -0.04 1.46 1.20 1mp1A9 LYS 54 HD2 -0.11 0.01 -0.04 -0.04 1.69 1.51 1mp1A9 LYS 54 HE2 -0.05 -0.01 -0.04 -0.04 2.99 2.85 1mp1A9 ARG 55 H -0.17 0.60 -0.21 -0.55 8.46 8.13 1mp1A9 ARG 55 HA -0.28 0.06 0.42 -0.75 4.34 3.78 1mp1A9 ARG 55 HB3 0.14 -0.11 -0.04 -0.04 1.80 1.76 1mp1A9 ARG 55 HG3 -3.09 -0.07 -0.05 -0.04 1.67 -1.58 1mp1A9 ARG 55 HD3 -0.29 -0.05 0.03 -0.04 3.22 2.87 1mp1A9 ARG 55 HB2 -0.20 0.07 0.31 -0.04 1.90 2.03 1mp1A9 ARG 55 HG2 -1.66 0.07 0.05 -0.04 1.67 0.09 1mp1A9 ARG 55 HD2 -0.50 -0.02 -0.04 -0.04 3.22 2.62 1mp1A9 VAL 56 H 0.11 1.06 0.04 -0.55 8.24 8.90 1mp1A9 VAL 56 HA -0.14 -0.01 0.38 -0.75 4.13 3.61 1mp1A9 VAL 56 HB -0.05 -0.12 -0.01 -0.04 2.12 1.89 1mp1A9 VAL 56 HG13 -0.21 -0.01 -0.08 -0.04 0.97 0.63 1mp1A9 VAL 56 HG23 0.05 -0.03 -0.01 -0.04 0.95 0.92 1mp1A9 THR 57 H -0.03 0.43 -0.43 -0.55 8.28 7.70 1mp1A9 THR 57 HA -0.12 0.27 0.43 -0.75 4.39 4.22 1mp1A9 THR 57 HB -0.03 0.09 0.10 -0.04 4.32 4.43 1mp1A9 THR 57 HG23 -0.00 -0.04 -0.40 -0.04 1.22 0.74 1mp1A9 GLU 58 H -0.10 0.58 -0.25 -0.55 8.60 8.28 1mp1A9 GLU 58 HA -0.09 0.06 0.42 -0.75 4.29 3.93 1mp1A9 GLU 58 HB3 -0.09 -0.06 -0.03 -0.04 1.99 1.77 1mp1A9 GLU 58 HG3 -0.09 0.07 0.01 -0.04 2.34 2.28 1mp1A9 GLU 58 HB2 -0.13 0.07 0.19 -0.04 2.09 2.18 1mp1A9 GLU 58 HG2 -0.07 -0.03 -0.02 -0.04 2.34 2.19 1mp1A9 ILE 59 H -0.11 0.48 -0.29 -0.55 8.25 7.78 1mp1A9 ILE 59 HA -0.06 -0.02 0.37 -0.75 4.18 3.71 1mp1A9 ILE 59 HB -0.12 0.16 0.20 -0.04 1.89 2.09 1mp1A9 ILE 59 HG13 0.00 0.19 0.01 -0.04 1.21 1.37 1mp1A9 ILE 59 HG23 -0.08 -0.05 -0.16 -0.04 0.93 0.60 1mp1A9 ILE 59 HD13 -0.02 -0.07 -0.29 -0.04 0.88 0.45 1mp1A9 ILE 59 HG12 0.03 -0.13 -0.02 -0.04 1.49 1.32 1mp1A9 LEU 60 H -0.30 0.23 -0.22 -0.55 8.37 7.53 1mp1A9 LEU 60 HA -0.22 0.15 0.84 -0.75 4.35 4.36 1mp1A9 LEU 60 HB3 -0.40 0.02 0.06 -0.04 1.64 1.27 1mp1A9 LEU 60 HG -0.28 -0.06 0.07 -0.04 1.64 1.32 1mp1A9 LEU 60 HD13 -0.66 -0.09 0.19 -0.04 0.93 0.33 1mp1A9 LEU 60 HD23 0.05 -0.04 -0.05 -0.04 0.89 0.82 1mp1A9 LEU 60 HB2 -2.22 -0.05 0.01 -0.04 1.64 -0.66 1mp1A9 GLY 61 H -0.41 0.54 0.18 -0.55 8.43 8.19 1mp1A9 GLY 61 HA2 -0.10 -0.01 0.35 -0.51 4.01 3.74 1mp1A9 GLY 61 HA3 -0.06 0.12 0.85 -0.51 4.01 4.41 1mp1A9 PHE 62 H -0.90 0.05 0.14 -0.55 8.34 7.07 1mp1A9 PHE 62 HA 0.01 0.21 0.95 -0.75 4.62 5.04 1mp1A9 PHE 62 HB3 0.01 0.07 -0.09 -0.04 3.06 3.01 1mp1A9 PHE 62 HD2 0.03 0.03 -0.33 -0.04 7.28 6.97 1mp1A9 PHE 62 HE2 -0.02 0.00 -0.06 -0.04 7.38 7.27 1mp1A9 PHE 62 HZ -0.10 0.06 -0.02 -0.04 7.32 7.22 1mp1A9 PHE 62 HB2 0.02 0.04 -0.05 -0.04 3.15 3.12 1mp1A9 GLU 63 H 0.17 0.18 0.14 -0.55 8.60 8.53 1mp1A9 GLU 63 HA 0.09 0.01 0.56 -0.75 4.29 4.19 1mp1A9 GLU 63 HB3 0.10 0.02 0.20 -0.04 1.99 2.27 1mp1A9 GLU 63 HG3 0.06 -0.01 0.01 -0.04 2.34 2.36 1mp1A9 GLU 63 HB2 0.08 0.02 0.14 -0.04 2.09 2.29 1mp1A9 GLU 63 HG2 0.08 -0.05 0.01 -0.04 2.34 2.34 1mp1A9 ASP 64 H 0.14 0.09 0.16 -0.55 8.40 8.24 1mp1A9 ASP 64 HA 0.35 0.20 0.42 -0.75 4.63 4.84 1mp1A9 ASP 64 HB3 0.33 -0.15 0.22 -0.04 2.70 3.06 1mp1A9 ASP 64 HB2 0.12 -0.17 0.10 -0.04 2.71 2.72 1mp1A9 ASP 65 H 0.03 -0.14 0.18 -0.55 8.40 7.92 1mp1A9 ASP 65 HA 0.04 0.15 0.48 -0.75 4.63 4.54 1mp1A9 ASP 65 HB3 -0.02 0.03 -0.08 -0.04 2.70 2.59 1mp1A9 ASP 65 HB2 0.05 -0.00 -0.17 -0.04 2.71 2.54 1mp1A9 VAL 66 H -0.17 0.20 0.19 -0.55 8.24 7.92 1mp1A9 VAL 66 HA -0.28 0.18 0.47 -0.75 4.13 3.75 1mp1A9 VAL 66 HB -0.30 0.03 0.16 -0.04 2.12 1.98 1mp1A9 VAL 66 HG13 -1.02 -0.01 -0.11 -0.04 0.97 -0.21 1mp1A9 VAL 66 HG23 -0.19 0.04 0.03 -0.04 0.95 0.79 1mp1A9 VAL 67 H -0.36 -0.01 -0.02 -0.55 8.24 7.30 1mp1A9 VAL 67 HA 0.20 0.19 0.41 -0.75 4.13 4.18 1mp1A9 VAL 67 HB -0.04 0.06 0.03 -0.04 2.12 2.13 1mp1A9 VAL 67 HG13 -0.28 0.02 0.05 -0.04 0.97 0.72 1mp1A9 VAL 67 HG23 -0.00 -0.04 -0.13 -0.04 0.95 0.74 1mp1A9 ILE 68 H 0.01 -0.05 -0.33 -0.55 8.25 7.33 1mp1A9 ILE 68 HA 0.12 0.07 0.32 -0.75 4.18 3.94 1mp1A9 ILE 68 HB 0.09 0.08 -0.02 -0.04 1.89 2.00 1mp1A9 ILE 68 HG13 0.06 -0.21 -0.11 -0.04 1.21 0.91 1mp1A9 ILE 68 HG23 0.22 0.01 -0.08 -0.04 0.93 1.04 1mp1A9 ILE 68 HD13 0.09 0.06 -0.33 -0.04 0.88 0.67 1mp1A9 ILE 68 HG12 0.09 0.05 -0.08 -0.04 1.49 1.50 1mp1A9 GLU 69 H -0.01 0.78 -0.16 -0.55 8.60 8.67 1mp1A9 GLU 69 HA 0.08 0.02 0.34 -0.75 4.29 3.97 1mp1A9 GLU 69 HB3 -0.21 0.01 -0.05 -0.04 1.99 1.70 1mp1A9 GLU 69 HG3 -0.08 0.03 0.03 -0.04 2.34 2.27 1mp1A9 GLU 69 HB2 -0.17 0.20 0.22 -0.04 2.09 2.30 1mp1A9 GLU 69 HG2 -0.09 -0.05 0.04 -0.04 2.34 2.19 1mp1A9 PHE 70 H 0.02 0.39 -0.42 -0.55 8.34 7.77 1mp1A9 PHE 70 HA 0.03 0.05 0.34 -0.75 4.62 4.29 1mp1A9 PHE 70 HB3 0.01 -0.07 -0.06 -0.04 3.06 2.90 1mp1A9 PHE 70 HD2 -0.05 -0.08 -0.08 -0.04 7.28 7.02 1mp1A9 PHE 70 HE2 -0.01 0.01 -0.06 -0.04 7.38 7.28 1mp1A9 PHE 70 HZ 0.05 0.03 -0.04 -0.04 7.32 7.31 1mp1A9 PHE 70 HB2 -0.03 0.15 0.20 -0.04 3.15 3.43 1mp1A9 ILE 71 H 0.22 0.49 -0.18 -0.55 8.25 8.24 1mp1A9 ILE 71 HA 0.20 0.00 0.47 -0.75 4.18 4.10 1mp1A9 ILE 71 HB 0.20 0.08 0.11 -0.04 1.89 2.24 1mp1A9 ILE 71 HG13 0.17 -0.06 -0.02 -0.04 1.21 1.26 1mp1A9 ILE 71 HG23 0.26 -0.01 -0.08 -0.04 0.93 1.05 1mp1A9 ILE 71 HD13 0.06 -0.04 -0.11 -0.04 0.88 0.75 1mp1A9 ILE 71 HG12 0.30 -0.07 -0.03 -0.04 1.49 1.66 1mp1A9 PHE 72 H 0.28 0.93 0.01 -0.55 8.34 9.00 1mp1A9 PHE 72 HA 0.09 0.02 0.35 -0.75 4.62 4.33 1mp1A9 PHE 72 HB3 0.03 0.04 0.03 -0.04 3.06 3.12 1mp1A9 PHE 72 HD2 0.04 -0.01 -0.09 -0.04 7.28 7.18 1mp1A9 PHE 72 HE2 0.04 0.01 -0.04 -0.04 7.38 7.34 1mp1A9 PHE 72 HZ 0.03 0.00 -0.03 -0.04 7.32 7.29 1mp1A9 PHE 72 HB2 0.06 0.18 0.03 -0.04 3.15 3.37 1mp1A9 ASN 73 H 0.20 1.16 0.02 -0.55 8.53 9.37 1mp1A9 ASN 73 HA 0.11 0.04 0.38 -0.75 4.76 4.54 1mp1A9 ASN 73 HB3 0.07 -0.05 -0.05 -0.04 2.79 2.72 1mp1A9 ASN 73 HD21 0.03 0.54 0.25 -0.04 7.03 7.81 1mp1A9 ASN 73 HD22 -0.08 -0.08 0.01 -0.04 7.74 7.55 1mp1A9 ASN 73 HB2 0.09 0.12 0.12 -0.04 2.88 3.16 1mp1A9 GLN 74 H 0.18 0.44 -0.38 -0.55 8.47 8.16 1mp1A9 GLN 74 HA 0.12 0.05 0.50 -0.75 4.36 4.28 1mp1A9 GLN 74 HB3 0.15 -0.21 -0.01 -0.04 2.02 1.90 1mp1A9 GLN 74 HG3 0.11 -0.15 0.05 -0.04 2.39 2.35 1mp1A9 GLN 74 HE21 0.41 -0.12 0.04 -0.04 6.97 7.25 1mp1A9 GLN 74 HE22 0.33 -0.06 0.02 -0.04 7.69 7.95 1mp1A9 GLN 74 HB2 0.17 0.16 0.24 -0.04 2.15 2.68 1mp1A9 GLN 74 HG2 0.13 -0.09 -0.05 -0.04 2.40 2.35 1mp1A9 LEU 75 H 0.16 0.77 -0.15 -0.55 8.37 8.60 1mp1A9 LEU 75 HA 0.10 -0.00 0.52 -0.75 4.35 4.21 1mp1A9 LEU 75 HB3 0.03 -0.11 0.12 -0.04 1.64 1.64 1mp1A9 LEU 75 HG 0.15 0.09 0.04 -0.04 1.64 1.88 1mp1A9 LEU 75 HD13 0.06 -0.04 -0.06 -0.04 0.93 0.85 1mp1A9 LEU 75 HD23 0.14 -0.03 -0.09 -0.04 0.89 0.86 1mp1A9 LEU 75 HB2 0.07 0.10 0.11 -0.04 1.64 1.88 1mp1A9 GLU 76 H 0.14 0.12 -0.98 -0.55 8.60 7.34 1mp1A9 GLU 76 HA 0.12 0.06 0.61 -0.75 4.29 4.32 1mp1A9 GLU 76 HB3 0.09 -0.09 0.10 -0.04 1.99 2.04 1mp1A9 GLU 76 HG3 0.26 -0.03 -0.15 -0.04 2.34 2.37 1mp1A9 GLU 76 HB2 0.12 0.19 0.17 -0.04 2.09 2.53 1mp1A9 GLU 76 HG2 0.29 -0.05 -0.04 -0.04 2.34 2.50 1mp1A9 VAL 77 H 0.08 0.21 -0.53 -0.55 8.24 7.45 1mp1A9 VAL 77 HA 0.05 0.21 0.78 -0.75 4.13 4.41 1mp1A9 VAL 77 HB 0.05 -0.13 0.13 -0.04 2.12 2.13 1mp1A9 VAL 77 HG13 0.06 0.05 -0.05 -0.04 0.97 1.00 1mp1A9 VAL 77 HG23 0.07 0.02 -0.30 -0.04 0.95 0.70 1mp1A9 LYS 78 H 0.03 0.12 0.14 -0.55 8.42 8.16 1mp1A9 LYS 78 HA 0.01 0.13 0.85 -0.75 4.32 4.55 1mp1A9 LYS 78 HB3 0.00 -0.02 0.12 -0.04 1.79 1.85 1mp1A9 LYS 78 HG3 0.01 0.09 -0.19 -0.04 1.46 1.33 1mp1A9 LYS 78 HD3 0.01 0.03 0.01 -0.04 1.68 1.69 1mp1A9 LYS 78 HE3 0.03 0.09 -0.02 -0.04 2.99 3.04 1mp1A9 LYS 78 HB2 0.01 0.03 0.08 -0.04 1.87 1.96 1mp1A9 LYS 78 HG2 0.01 0.04 -0.00 -0.04 1.46 1.47 1mp1A9 LYS 78 HD2 0.02 -0.11 0.07 -0.04 1.69 1.63 1mp1A9 LYS 78 HE2 0.02 0.04 -0.08 -0.04 2.99 2.92 1mp1A9 ASN 79 H 0.04 0.04 -0.05 -0.55 8.53 8.01 1mp1A9 ASN 79 HA 0.03 0.20 0.82 -0.75 4.76 5.06 1mp1A9 ASN 79 HB3 0.05 -0.01 0.14 -0.04 2.79 2.93 1mp1A9 ASN 79 HD21 0.00 -0.07 -0.20 -0.04 7.03 6.73 1mp1A9 ASN 79 HD22 -0.00 0.08 0.07 -0.04 7.74 7.84 1mp1A9 ASN 79 HB2 0.03 -0.06 -0.00 -0.04 2.88 2.80 1mp1A9 PRO 80 HA 0.12 0.14 0.56 -0.51 4.44 4.74 1mp1A9 PRO 80 HB3 0.17 0.34 -0.19 -0.04 2.02 2.30 1mp1A9 PRO 80 HG3 0.10 0.12 -0.07 -0.04 2.03 2.13 1mp1A9 PRO 80 HD3 0.04 0.12 -0.33 -0.04 3.65 3.45 1mp1A9 PRO 80 HB2 0.32 -0.10 -0.19 -0.04 2.28 2.27 1mp1A9 PRO 80 HG2 0.23 -0.03 -0.06 -0.04 2.03 2.13 1mp1A9 PRO 80 HD2 0.06 0.06 0.04 -0.04 3.68 3.80 1mp1A9 ASP 81 H 0.08 0.20 0.12 -0.55 8.40 8.25 1mp1A9 ASP 81 HA 0.01 0.28 0.84 -0.75 4.63 5.01 1mp1A9 ASP 81 HB3 -0.02 -0.02 0.29 -0.04 2.70 2.91 1mp1A9 ASP 81 HB2 0.00 0.18 0.13 -0.04 2.71 2.98 1mp1A9 SER 82 H -0.31 0.47 0.03 -0.55 8.46 8.10 1mp1A9 SER 82 HA -0.55 0.02 0.28 -0.75 4.49 3.48 1mp1A9 SER 82 HB3 -4.19 0.09 0.12 -0.04 3.93 -0.10 1mp1A9 SER 82 HB2 -1.43 -0.09 0.07 -0.04 3.95 2.46 1mp1A9 LYS 83 H -0.38 0.08 -0.68 -0.55 8.42 6.88 1mp1A9 LYS 83 HA -0.59 0.05 0.40 -0.75 4.32 3.42 1mp1A9 LYS 83 HB3 -0.65 0.07 0.02 -0.04 1.79 1.19 1mp1A9 LYS 83 HG3 -0.48 0.09 -0.01 -0.04 1.46 1.02 1mp1A9 LYS 83 HD3 -1.31 -0.10 -0.10 -0.04 1.68 0.12 1mp1A9 LYS 83 HE3 -0.39 0.03 -0.13 -0.04 2.99 2.46 1mp1A9 LYS 83 HB2 -0.30 0.02 0.03 -0.04 1.87 1.58 1mp1A9 LYS 83 HG2 -0.49 -0.08 -0.03 -0.04 1.46 0.83 1mp1A9 LYS 83 HD2 -3.04 0.05 -0.02 -0.04 1.69 -1.35 1mp1A9 LYS 83 HE2 -0.43 -0.02 -0.16 -0.04 2.99 2.34 1mp1A9 MET 84 H -0.15 0.43 0.03 -0.55 8.47 8.23 1mp1A9 MET 84 HA -0.10 0.10 0.47 -0.75 4.52 4.24 1mp1A9 MET 84 HB3 -0.04 0.01 -0.04 -0.04 2.03 1.92 1mp1A9 MET 84 HG3 -0.00 0.02 0.06 -0.04 2.56 2.60 1mp1A9 MET 84 HE3 -0.15 -0.03 0.08 -0.04 2.10 1.96 1mp1A9 MET 84 HB2 -0.05 0.05 0.23 -0.04 2.15 2.34 1mp1A9 MET 84 HG2 -0.04 -0.02 0.04 -0.04 2.63 2.57 1mp1A9 MET 85 H -0.12 0.35 -0.23 -0.55 8.47 7.92 1mp1A9 MET 85 HA -0.05 0.08 0.32 -0.75 4.52 4.12 1mp1A9 MET 85 HB3 0.02 0.02 -0.01 -0.04 2.03 2.02 1mp1A9 MET 85 HG3 0.12 0.05 -0.11 -0.04 2.56 2.59 1mp1A9 MET 85 HE3 0.23 0.01 -0.19 -0.04 2.10 2.10 1mp1A9 MET 85 HB2 -0.07 -0.01 0.04 -0.04 2.15 2.07 1mp1A9 MET 85 HG2 0.18 -0.03 -0.05 -0.04 2.63 2.69 1mp1A9 GLN 86 H -0.12 0.66 -0.03 -0.55 8.47 8.44 1mp1A9 GLN 86 HA -0.01 0.00 0.43 -0.75 4.36 4.03 1mp1A9 GLN 86 HB3 0.06 0.09 -0.08 -0.04 2.02 2.05 1mp1A9 GLN 86 HG3 0.02 -0.03 0.02 -0.04 2.39 2.36 1mp1A9 GLN 86 HE21 0.03 -0.04 -0.09 -0.04 6.97 6.83 1mp1A9 GLN 86 HE22 0.03 0.15 0.01 -0.04 7.69 7.84 1mp1A9 GLN 86 HB2 -0.07 0.16 0.16 -0.04 2.15 2.36 1mp1A9 GLN 86 HG2 0.05 -0.06 -0.12 -0.04 2.40 2.23 1mp1A9 ILE 87 H -0.06 0.43 -0.37 -0.55 8.25 7.70 1mp1A9 ILE 87 HA -0.02 0.06 0.40 -0.75 4.18 3.87 1mp1A9 ILE 87 HB -0.05 0.13 0.26 -0.04 1.89 2.19 1mp1A9 ILE 87 HG13 0.20 -0.04 -0.09 -0.04 1.21 1.25 1mp1A9 ILE 87 HG23 -0.07 -0.03 -0.03 -0.04 0.93 0.77 1mp1A9 ILE 87 HD13 0.20 -0.05 -0.06 -0.04 0.88 0.93 1mp1A9 ILE 87 HG12 0.07 -0.28 0.10 -0.04 1.49 1.33 1mp1A9 ASN 88 H -0.25 0.71 -0.14 -0.55 8.53 8.31 1mp1A9 ASN 88 HA -0.46 0.05 0.48 -0.75 4.76 4.08 1mp1A9 ASN 88 HB3 -1.21 -0.09 -0.02 -0.04 2.79 1.42 1mp1A9 ASN 88 HD21 -0.42 -0.07 -0.20 -0.04 7.03 6.30 1mp1A9 ASN 88 HD22 -0.34 -0.02 -0.03 -0.04 7.74 7.31 1mp1A9 ASN 88 HB2 -0.53 0.08 0.22 -0.04 2.88 2.61 1mp1A9 LEU 89 H -0.15 0.82 -0.02 -0.55 8.37 8.47 1mp1A9 LEU 89 HA -0.08 -0.02 0.43 -0.75 4.35 3.93 1mp1A9 LEU 89 HB3 -0.16 -0.14 0.01 -0.04 1.64 1.31 1mp1A9 LEU 89 HG -0.11 0.20 0.03 -0.04 1.64 1.72 1mp1A9 LEU 89 HD13 -0.73 -0.03 -0.06 -0.04 0.93 0.07 1mp1A9 LEU 89 HD23 -0.24 -0.02 -0.01 -0.04 0.89 0.58 1mp1A9 LEU 89 HB2 -0.09 0.07 0.21 -0.04 1.64 1.80 1mp1A9 THR 90 H -0.06 0.64 -0.28 -0.55 8.28 8.03 1mp1A9 THR 90 HA -0.01 -0.20 0.22 -0.75 4.39 3.65 1mp1A9 THR 90 HB -0.05 0.13 -0.01 -0.04 4.32 4.36 1mp1A9 THR 90 HG23 -0.03 -0.01 -0.09 -0.04 1.22 1.05 1mp1A9 GLY 91 H -0.05 0.20 -0.81 -0.55 8.43 7.22 1mp1A9 GLY 91 HA2 -0.07 0.04 0.34 -0.51 4.01 3.81 1mp1A9 GLY 91 HA3 -0.03 -0.01 0.27 -0.51 4.01 3.73 1mp1A9 PHE 92 H 0.17 0.31 -0.36 -0.55 8.34 7.91 1mp1A9 PHE 92 HA 0.04 0.20 0.97 -0.75 4.62 5.08 1mp1A9 PHE 92 HB3 0.03 -0.05 -0.01 -0.04 3.06 2.99 1mp1A9 PHE 92 HD2 0.12 0.10 -0.11 -0.04 7.28 7.34 1mp1A9 PHE 92 HE2 0.14 0.00 0.03 -0.04 7.38 7.51 1mp1A9 PHE 92 HZ 0.07 0.02 0.04 -0.04 7.32 7.41 1mp1A9 PHE 92 HB2 0.05 -0.01 0.11 -0.04 3.15 3.25 1mp1A9 LEU 93 H 0.09 0.88 0.27 -0.55 8.37 9.06 1mp1A9 LEU 93 HA 0.01 0.13 0.41 -0.75 4.35 4.14 1mp1A9 LEU 93 HB3 -0.02 -0.21 0.13 -0.04 1.64 1.50 1mp1A9 LEU 93 HG -0.06 0.10 0.01 -0.04 1.64 1.65 1mp1A9 LEU 93 HD13 -0.17 -0.03 -0.15 -0.04 0.93 0.54 1mp1A9 LEU 93 HD23 -0.00 0.01 -0.05 -0.04 0.89 0.81 1mp1A9 LEU 93 HB2 -0.01 -0.11 -0.08 -0.04 1.64 1.40 1mp1A9 ASN 94 H -0.01 -0.09 0.18 -0.55 8.53 8.06 1mp1A9 ASN 94 HA -0.01 0.37 0.76 -0.75 4.76 5.13 1mp1A9 ASN 94 HB3 -0.01 0.15 0.11 -0.04 2.79 3.00 1mp1A9 ASN 94 HD21 -0.01 0.20 0.08 -0.04 7.03 7.25 1mp1A9 ASN 94 HD22 -0.01 0.02 0.09 -0.04 7.74 7.80 1mp1A9 ASN 94 HB2 -0.01 0.03 0.10 -0.04 2.88 2.97 1mp1A9 GLY 95 H -0.00 -0.17 -0.00 -0.55 8.43 7.70 1mp1A9 GLY 95 HA2 -0.01 0.08 0.32 -0.51 4.01 3.89 1mp1A9 GLY 95 HA3 -0.01 0.38 0.85 -0.51 4.01 4.72 1mp1A9 LYS 96 H 0.00 0.27 -0.15 -0.55 8.42 7.99 1mp1A9 LYS 96 HA 0.01 0.17 0.53 -0.75 4.32 4.28 1mp1A9 LYS 96 HB3 0.01 0.05 -0.00 -0.04 1.79 1.81 1mp1A9 LYS 96 HG3 0.00 0.07 0.01 -0.04 1.46 1.50 1mp1A9 LYS 96 HD3 0.02 -0.03 -0.06 -0.04 1.68 1.57 1mp1A9 LYS 96 HE3 0.01 0.03 -0.01 -0.04 2.99 2.98 1mp1A9 LYS 96 HB2 0.00 0.09 0.08 -0.04 1.87 2.00 1mp1A9 LYS 96 HG2 0.01 -0.04 0.09 -0.04 1.46 1.48 1mp1A9 LYS 96 HD2 0.01 0.05 -0.01 -0.04 1.69 1.70 1mp1A9 LYS 96 HE2 0.02 -0.04 -0.01 -0.04 2.99 2.92 1mp1A9 ASN 97 H 0.01 0.04 -0.01 -0.55 8.53 8.03 1mp1A9 ASN 97 HA 0.05 0.19 0.43 -0.75 4.76 4.67 1mp1A9 ASN 97 HB3 0.01 0.05 -0.08 -0.04 2.79 2.73 1mp1A9 ASN 97 HD21 -0.02 -0.03 0.06 -0.04 7.03 7.00 1mp1A9 ASN 97 HD22 -0.02 0.20 0.09 -0.04 7.74 7.98 1mp1A9 ASN 97 HB2 0.00 -0.14 0.16 -0.04 2.88 2.86 1mp1A9 ALA 98 H 0.02 -0.02 -0.44 -0.55 8.40 7.41 1mp1A9 ALA 98 HA 0.04 0.07 0.37 -0.75 4.34 4.06 1mp1A9 ALA 98 HB3 -0.00 0.01 0.00 -0.04 1.41 1.38 1mp1A9 ARG 99 H 0.05 0.31 -0.37 -0.55 8.46 7.91 1mp1A9 ARG 99 HA 0.07 -0.01 0.44 -0.75 4.34 4.08 1mp1A9 ARG 99 HB3 0.04 -0.04 -0.02 -0.04 1.80 1.75 1mp1A9 ARG 99 HG3 0.02 0.25 0.07 -0.04 1.67 1.97 1mp1A9 ARG 99 HD3 -0.00 0.07 -0.17 -0.04 3.22 3.07 1mp1A9 ARG 99 HB2 0.04 0.18 0.16 -0.04 1.90 2.24 1mp1A9 ARG 99 HG2 0.04 -0.13 -0.04 -0.04 1.67 1.49 1mp1A9 ARG 99 HD2 0.02 -0.05 -0.08 -0.04 3.22 3.07 1mp1A9 GLU 100 H 0.09 0.38 -0.19 -0.55 8.60 8.34 1mp1A9 GLU 100 HA 0.09 0.09 0.46 -0.75 4.29 4.18 1mp1A9 GLU 100 HB3 0.10 0.04 -0.06 -0.04 1.99 2.03 1mp1A9 GLU 100 HG3 0.05 0.01 -0.01 -0.04 2.34 2.35 1mp1A9 GLU 100 HB2 0.07 0.07 0.16 -0.04 2.09 2.36 1mp1A9 GLU 100 HG2 0.06 -0.03 -0.00 -0.04 2.34 2.32 1mp1A9 PHE 101 H 0.26 0.82 -0.05 -0.55 8.34 8.81 1mp1A9 PHE 101 HA 0.17 0.08 0.35 -0.75 4.62 4.46 1mp1A9 PHE 101 HB3 0.07 -0.00 0.18 -0.04 3.06 3.27 1mp1A9 PHE 101 HD2 0.04 0.05 -0.19 -0.04 7.28 7.14 1mp1A9 PHE 101 HE2 0.09 0.00 -0.04 -0.04 7.38 7.38 1mp1A9 PHE 101 HZ 0.20 -0.02 -0.04 -0.04 7.32 7.42 1mp1A9 PHE 101 HB2 0.04 0.06 0.05 -0.04 3.15 3.26 1mp1A9 MET 102 H 0.33 0.61 -0.17 -0.55 8.47 8.68 1mp1A9 MET 102 HA 0.19 -0.01 0.45 -0.75 4.52 4.40 1mp1A9 MET 102 HB3 0.01 -0.03 -0.03 -0.04 2.03 1.93 1mp1A9 MET 102 HG3 -0.06 0.00 0.06 -0.04 2.56 2.53 1mp1A9 MET 102 HE3 -0.17 -0.01 0.02 -0.04 2.10 1.90 1mp1A9 MET 102 HB2 0.14 0.37 0.22 -0.04 2.15 2.84 1mp1A9 MET 102 HG2 0.20 -0.02 0.03 -0.04 2.63 2.79 1mp1A9 GLY 103 H 0.12 0.40 -0.48 -0.55 8.43 7.92 1mp1A9 GLY 103 HA2 0.11 -0.02 0.46 -0.51 4.01 4.06 1mp1A9 GLY 103 HA3 0.08 0.07 0.36 -0.51 4.01 4.01 1mp1A9 GLU 104 H 0.08 0.03 -0.89 -0.55 8.60 7.27 1mp1A9 GLU 104 HA 0.03 0.19 0.94 -0.75 4.29 4.69 1mp1A9 GLU 104 HB3 0.59 -0.07 -0.01 -0.04 1.99 2.47 1mp1A9 GLU 104 HG3 0.15 0.18 -0.15 -0.04 2.34 2.48 1mp1A9 GLU 104 HB2 0.33 0.12 0.11 -0.04 2.09 2.62 1mp1A9 GLU 104 HG2 0.12 0.07 -0.05 -0.04 2.34 2.45 1mp1A9 LEU 105 H -0.06 0.23 0.19 -0.55 8.37 8.18 1mp1A9 LEU 105 HA -0.91 0.16 0.84 -0.75 4.35 3.69 1mp1A9 LEU 105 HB3 -0.26 0.14 0.12 -0.04 1.64 1.60 1mp1A9 LEU 105 HG 0.11 -0.02 -0.05 -0.04 1.64 1.64 1mp1A9 LEU 105 HD13 0.29 -0.03 -0.06 -0.04 0.93 1.09 1mp1A9 LEU 105 HD23 -0.07 -0.01 -0.16 -0.04 0.89 0.61 1mp1A9 LEU 105 HB2 -0.40 0.01 0.05 -0.04 1.64 1.25 1mp1A9 TRP 106 H 0.16 0.47 0.23 -0.55 7.97 8.29 1mp1A9 TRP 106 HA -0.10 0.02 0.40 -0.75 4.62 4.19 1mp1A9 TRP 106 HB3 -0.05 0.02 0.03 -0.04 3.23 3.19 1mp1A9 TRP 106 HD1 -0.03 0.16 -0.23 -0.04 7.22 7.07 1mp1A9 TRP 106 HE1 -0.04 -0.23 -0.14 -0.04 10.20 9.75 1mp1A9 TRP 106 HE3 -0.02 -0.02 -0.03 -0.04 7.59 7.48 1mp1A9 TRP 106 HZ2 -0.04 0.00 0.06 -0.04 7.44 7.41 1mp1A9 TRP 106 HZ3 -0.00 -0.01 -0.13 -0.04 7.13 6.95 1mp1A9 TRP 106 HH2 -0.03 0.29 -0.05 -0.04 7.19 7.36 1mp1A9 TRP 106 HB2 -0.03 0.03 0.22 -0.04 3.23 3.41 1mp1A9 PRO 107 HA -0.13 0.15 0.45 -0.51 4.44 4.40 1mp1A9 PRO 107 HB3 -0.02 0.04 -0.01 -0.04 2.02 1.99 1mp1A9 PRO 107 HG3 0.03 0.24 -0.33 -0.04 2.03 1.93 1mp1A9 PRO 107 HD3 0.16 0.24 -0.00 -0.04 3.65 4.00 1mp1A9 PRO 107 HB2 -0.09 0.05 -0.12 -0.04 2.28 2.08 1mp1A9 PRO 107 HG2 -0.07 0.14 -0.29 -0.04 2.03 1.77 1mp1A9 PRO 107 HD2 -0.07 -0.16 -0.98 -0.04 3.68 2.43 1mp1A9 LEU 108 H -0.30 0.17 -0.67 -0.55 8.37 7.03 1mp1A9 LEU 108 HA -0.37 -0.01 0.39 -0.75 4.35 3.61 1mp1A9 LEU 108 HB3 -0.59 0.01 0.04 -0.04 1.64 1.06 1mp1A9 LEU 108 HG -0.64 -0.15 0.09 -0.04 1.64 0.91 1mp1A9 LEU 108 HD13 -0.96 -0.01 0.07 -0.04 0.93 0.00 1mp1A9 LEU 108 HD23 -1.15 -0.02 0.01 -0.04 0.89 -0.32 1mp1A9 LEU 108 HB2 -0.71 0.12 0.33 -0.04 1.64 1.35 1mp1A9 LEU 109 H -0.32 0.50 -0.26 -0.55 8.37 7.75 1mp1A9 LEU 109 HA -0.24 0.05 0.43 -0.75 4.35 3.84 1mp1A9 LEU 109 HB3 -0.27 -0.05 -0.01 -0.04 1.64 1.27 1mp1A9 LEU 109 HG -0.25 0.33 0.09 -0.04 1.64 1.76 1mp1A9 LEU 109 HD13 -0.17 -0.03 -0.07 -0.04 0.93 0.62 1mp1A9 LEU 109 HD23 -0.17 -0.01 -0.07 -0.04 0.89 0.59 1mp1A9 LEU 109 HB2 -0.44 0.14 0.02 -0.04 1.64 1.32 1mp1A9 LEU 110 H -0.31 0.22 -0.41 -0.55 8.37 7.33 1mp1A9 LEU 110 HA -0.24 0.10 0.36 -0.75 4.35 3.80 1mp1A9 LEU 110 HB3 -0.15 -0.02 -0.00 -0.04 1.64 1.43 1mp1A9 LEU 110 HG -0.17 0.03 0.05 -0.04 1.64 1.51 1mp1A9 LEU 110 HD13 -0.52 0.01 0.02 -0.04 0.93 0.40 1mp1A9 LEU 110 HD23 -0.11 -0.03 -0.12 -0.04 0.89 0.59 1mp1A9 LEU 110 HB2 -0.19 0.04 0.24 -0.04 1.64 1.69 1mp1A9 SER 111 H -0.20 0.42 -0.27 -0.55 8.46 7.86 1mp1A9 SER 111 HA -0.12 0.15 0.52 -0.75 4.49 4.29 1mp1A9 SER 111 HB3 -0.18 -0.16 0.05 -0.04 3.93 3.61 1mp1A9 SER 111 HB2 -0.16 0.11 0.12 -0.04 3.95 3.98 1mp1A9 ALA 112 H -0.20 0.35 -0.26 -0.55 8.40 7.73 1mp1A9 ALA 112 HA -0.13 0.13 -0.04 -0.75 4.34 3.55 1mp1A9 ALA 112 HB3 -0.17 0.06 -0.17 -0.04 1.41 1.09 1mp1A9 GLN 113 H -0.16 1.08 -0.08 -0.55 8.47 8.76 1mp1A9 GLN 113 HA -0.10 0.05 0.10 -0.75 4.36 3.66 1mp1A9 GLN 113 HB3 -0.16 -0.12 0.02 -0.04 2.02 1.73 1mp1A9 GLN 113 HG3 -0.12 0.09 -0.24 -0.04 2.39 2.08 1mp1A9 GLN 113 HE21 -0.10 -0.02 -0.06 -0.04 6.97 6.75 1mp1A9 GLN 113 HE22 -0.09 0.01 -0.10 -0.04 7.69 7.47 1mp1A9 GLN 113 HB2 -0.11 -0.04 0.02 -0.04 2.15 1.98 1mp1A9 GLN 113 HG2 -0.18 0.06 0.16 -0.04 2.40 2.40 1mp1A9 GLU 114 H -0.10 0.10 -1.10 -0.55 8.60 6.95 1mp1A9 GLU 114 HA -0.06 0.12 0.67 -0.75 4.29 4.26 1mp1A9 GLU 114 HB3 -0.06 -0.10 0.13 -0.04 1.99 1.92 1mp1A9 GLU 114 HG3 -0.09 0.12 0.10 -0.04 2.34 2.43 1mp1A9 GLU 114 HB2 -0.08 0.14 0.14 -0.04 2.09 2.25 1mp1A9 GLU 114 HG2 -0.08 -0.01 -0.11 -0.04 2.34 2.10 1mp1A9 ASN 115 H -0.08 0.51 -0.28 -0.55 8.53 8.13 1mp1A9 ASN 115 HA -0.05 0.11 0.66 -0.75 4.76 4.72 1mp1A9 ASN 115 HB3 -0.04 -0.45 0.27 -0.04 2.79 2.53 1mp1A9 ASN 115 HD21 -0.07 0.12 0.06 -0.04 7.03 7.09 1mp1A9 ASN 115 HD22 -0.05 -0.11 0.03 -0.04 7.74 7.56 1mp1A9 ASN 115 HB2 -0.07 0.25 0.30 -0.04 2.88 3.32 1mp1A9 ILE 116 H -0.03 -0.07 0.25 -0.55 8.25 7.85 1mp1A9 ILE 116 HA -0.03 0.35 0.99 -0.75 4.18 4.74 1mp1A9 ILE 116 HB -0.02 0.01 0.04 -0.04 1.89 1.88 1mp1A9 ILE 116 HG13 -0.02 -0.02 0.03 -0.04 1.21 1.16 1mp1A9 ILE 116 HG23 -0.01 -0.02 -0.00 -0.04 0.93 0.86 1mp1A9 ILE 116 HD13 -0.01 -0.00 -0.04 -0.04 0.88 0.78 1mp1A9 ILE 116 HG12 -0.02 0.09 0.11 -0.04 1.49 1.64 1mp1A9 ALA 117 H -0.02 -0.03 0.21 -0.55 8.40 8.01 1mp1A9 ALA 117 HA -0.01 0.24 0.65 -0.75 4.34 4.46 1mp1A9 ALA 117 HB3 -0.00 -0.00 0.11 -0.04 1.41 1.47 1mp1A9 GLY 118 H -0.03 0.03 -0.54 -0.55 8.43 7.34 1mp1A9 GLY 118 HA2 -0.06 0.35 0.18 -0.51 4.01 3.98 1mp1A9 GLY 118 HA3 -0.04 0.04 0.45 -0.51 4.01 3.95 1mp1A9 ILE 119 H -0.04 0.04 -0.02 -0.55 8.25 7.68 1mp1A9 ILE 119 HA -0.01 0.24 0.97 -0.75 4.18 4.63 1mp1A9 ILE 119 HB 0.01 -0.10 -0.04 -0.04 1.89 1.72 1mp1A9 ILE 119 HG13 0.12 0.00 0.03 -0.04 1.21 1.31 1mp1A9 ILE 119 HG23 0.08 -0.00 -0.20 -0.04 0.93 0.76 1mp1A9 ILE 119 HD13 0.02 -0.01 -0.31 -0.04 0.88 0.54 1mp1A9 ILE 119 HG12 0.07 -0.00 -0.05 -0.04 1.49 1.47 1mp1A9 PRO 120 HA -0.22 0.15 0.46 -0.51 4.44 4.31 1mp1A9 PRO 120 HB3 -0.42 0.41 0.19 -0.04 2.02 2.16 1mp1A9 PRO 120 HG3 -0.54 0.09 -0.00 -0.04 2.03 1.53 1mp1A9 PRO 120 HD3 -0.10 0.28 0.21 -0.04 3.65 3.99 1mp1A9 PRO 120 HB2 -0.63 -0.17 0.07 -0.04 2.28 1.51 1mp1A9 PRO 120 HG2 -1.68 -0.00 0.06 -0.04 2.03 0.37 1mp1A9 PRO 120 HD2 0.04 0.08 0.20 -0.04 3.68 3.96 1mp1A9 SER 121 H -0.17 0.26 0.14 -0.55 8.46 8.14 1mp1A9 SER 121 HA -0.07 0.08 0.39 -0.75 4.49 4.13 1mp1A9 SER 121 HB3 -0.08 0.10 0.14 -0.04 3.93 4.05 1mp1A9 SER 121 HB2 -0.06 0.03 0.12 -0.04 3.95 4.00 1mp1A9 ALA 122 H -0.32 0.02 -0.57 -0.55 8.40 6.98 1mp1A9 ALA 122 HA -0.08 0.09 0.34 -0.75 4.34 3.93 1mp1A9 ALA 122 HB3 -0.36 0.01 0.01 -0.04 1.41 1.03 1mp1A9 PHE 123 H -0.21 0.47 -0.33 -0.55 8.34 7.71 1mp1A9 PHE 123 HA 0.01 0.10 0.68 -0.75 4.62 4.66 1mp1A9 PHE 123 HB3 -0.00 -0.00 -0.05 -0.04 3.06 2.96 1mp1A9 PHE 123 HD2 -0.00 0.04 -0.20 -0.04 7.28 7.08 1mp1A9 PHE 123 HE2 0.08 0.04 -0.08 -0.04 7.38 7.37 1mp1A9 PHE 123 HZ -0.08 -0.08 0.03 -0.04 7.32 7.15 1mp1A9 PHE 123 HB2 -0.03 0.08 0.04 -0.04 3.15 3.20 1mp1A9 LEU 124 H 0.05 0.19 -0.03 -0.55 8.37 8.03 1mp1A9 LEU 124 HA 0.05 0.02 0.30 -0.75 4.35 3.98 1mp1A9 LEU 124 HB3 0.00 0.03 0.01 -0.04 1.64 1.65 1mp1A9 LEU 124 HG -0.01 0.11 -0.29 -0.04 1.64 1.40 1mp1A9 LEU 124 HD13 -0.03 -0.02 -0.06 -0.04 0.93 0.77 1mp1A9 LEU 124 HD23 0.02 -0.01 -0.05 -0.04 0.89 0.80 1mp1A9 LEU 124 HB2 -0.01 -0.10 0.18 -0.04 1.64 1.67 1mp1A9 GLU 125 H 0.01 0.23 -0.04 -0.55 8.60 8.26 1mp1A9 GLU 125 HA 0.02 -0.00 0.37 -0.75 4.29 3.92 1mp1A9 GLU 125 HB3 0.02 -0.05 0.09 -0.04 1.99 2.00 1mp1A9 GLU 125 HG3 0.01 -0.04 -0.00 -0.04 2.34 2.26 1mp1A9 GLU 125 HB2 -0.00 -0.06 0.11 -0.04 2.09 2.10 1mp1A9 GLU 125 HG2 0.01 0.06 -0.14 -0.04 2.34 2.23 1mp1A9 LEU 126 H 0.06 0.04 -0.24 -0.55 8.37 7.68 1mp1A9 LEU 126 HA 0.05 -0.01 0.25 -0.75 4.35 3.88 1mp1A9 LEU 126 HB3 0.09 -0.20 0.06 -0.04 1.64 1.55 1mp1A9 LEU 126 HG 0.06 -0.04 0.05 -0.04 1.64 1.67 1mp1A9 LEU 126 HD13 0.12 -0.01 0.05 -0.04 0.93 1.05 1mp1A9 LEU 126 HD23 0.05 -0.02 -0.00 -0.04 0.89 0.87 1mp1A9 LEU 126 HB2 0.13 0.29 0.13 -0.04 1.64 2.16 1mp1A9 LYS 127 H 0.04 0.03 -0.10 -0.55 8.42 7.84 1mp1A9 LYS 127 HA 0.03 0.03 0.44 -0.75 4.32 4.05 1mp1A9 LYS 127 HB3 0.02 -0.06 -0.01 -0.04 1.79 1.70 1mp1A9 LYS 127 HG3 0.01 -0.00 0.02 -0.04 1.46 1.45 1mp1A9 LYS 127 HD3 0.01 0.00 -0.36 -0.04 1.68 1.29 1mp1A9 LYS 127 HE3 0.01 -0.00 -0.01 -0.04 2.99 2.94 1mp1A9 LYS 127 HB2 0.02 0.41 0.05 -0.04 1.87 2.32 1mp1A9 LYS 127 HG2 0.01 -0.07 -0.02 -0.04 1.46 1.34 1mp1A9 LYS 127 HD2 0.01 0.00 0.01 -0.04 1.69 1.68 1mp1A9 LYS 127 HE2 0.01 -0.03 -0.04 -0.04 2.99 2.88 1mp1A9 LYS 128 H 0.00 0.13 0.05 -0.55 8.42 8.06 1mp1A9 LYS 128 HA -0.00 -0.08 0.34 -0.75 4.32 3.83 1mp1A9 LYS 128 HB3 0.00 0.01 0.11 -0.04 1.79 1.87 1mp1A9 LYS 128 HG3 -0.02 -0.04 0.06 -0.04 1.46 1.42 1mp1A9 LYS 128 HD3 -0.00 0.04 -0.05 -0.04 1.68 1.63 1mp1A9 LYS 128 HE3 -0.02 -0.03 -0.01 -0.04 2.99 2.89 1mp1A9 LYS 128 HB2 0.00 0.11 -0.26 -0.04 1.87 1.69 1mp1A9 LYS 128 HG2 -0.01 -0.00 0.01 -0.04 1.46 1.42 1mp1A9 LYS 128 HD2 -0.00 -0.01 -0.08 -0.04 1.69 1.56 1mp1A9 LYS 128 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.93 1mp1A9 GLU 129 H 0.02 0.03 -0.03 -0.55 8.60 8.07 1mp1A9 GLU 129 HA 0.02 0.15 0.36 -0.75 4.29 4.07 1mp1A9 GLU 129 HB3 0.03 -0.09 0.08 -0.04 1.99 1.97 1mp1A9 GLU 129 HG3 0.02 0.06 -0.11 -0.04 2.34 2.27 1mp1A9 GLU 129 HB2 0.05 -0.02 0.07 -0.04 2.09 2.15 1mp1A9 GLU 129 HG2 0.04 -0.00 -0.05 -0.04 2.34 2.29 1mp1A9 GLU 130 H 0.01 0.01 -0.17 -0.55 8.60 7.91 1mp1A9 GLU 130 HA 0.00 0.14 0.34 -0.75 4.29 4.02 1mp1A9 GLU 130 HB3 0.00 -0.04 0.11 -0.04 1.99 2.02 1mp1A9 GLU 130 HG3 0.01 0.15 0.13 -0.04 2.34 2.59 1mp1A9 GLU 130 HB2 0.01 0.02 -0.41 -0.04 2.09 1.67 1mp1A9 GLU 130 HG2 0.00 -0.03 -0.04 -0.04 2.34 2.24 1mp1A9 ILE 131 H -0.00 0.19 -0.03 -0.55 8.25 7.85 1mp1A9 ILE 131 HA -0.01 0.12 0.66 -0.75 4.18 4.19 1mp1A9 ILE 131 HB -0.01 0.01 0.09 -0.04 1.89 1.94 1mp1A9 ILE 131 HG13 -0.02 0.03 -0.10 -0.04 1.21 1.08 1mp1A9 ILE 131 HG23 -0.01 0.01 -0.18 -0.04 0.93 0.71 1mp1A9 ILE 131 HD13 -0.01 -0.03 -0.05 -0.04 0.88 0.75 1mp1A9 ILE 131 HG12 -0.02 0.05 -0.03 -0.04 1.49 1.44 1mp1A9 LYS 132 H -0.01 0.19 0.11 -0.55 8.42 8.16 1mp1A9 LYS 132 HA -0.00 0.02 0.40 -0.75 4.32 3.99 1mp1A9 LYS 132 HB3 -0.00 0.02 0.12 -0.04 1.79 1.89 1mp1A9 LYS 132 HG3 0.00 -0.03 -0.01 -0.04 1.46 1.38 1mp1A9 LYS 132 HD3 0.00 0.06 -0.08 -0.04 1.68 1.61 1mp1A9 LYS 132 HE3 0.00 -0.03 -0.09 -0.04 2.99 2.84 1mp1A9 LYS 132 HB2 -0.00 0.02 0.09 -0.04 1.87 1.93 1mp1A9 LYS 132 HG2 0.00 0.02 -0.07 -0.04 1.46 1.37 1mp1A9 LYS 132 HD2 0.00 -0.04 -0.03 -0.04 1.69 1.58 1mp1A9 LYS 132 HE2 0.00 0.08 -0.17 -0.04 2.99 2.86 1mp1A9 GLN 133 H 0.00 0.17 0.24 -0.55 8.47 8.34 1mp1A9 GLN 133 HA 0.00 -0.04 0.28 -0.75 4.36 3.85 1mp1A9 GLN 133 HB3 0.00 0.04 0.14 -0.04 2.02 2.17 1mp1A9 GLN 133 HG3 0.00 -0.01 0.03 -0.04 2.39 2.38 1mp1A9 GLN 133 HE21 0.00 -0.01 0.03 -0.04 6.97 6.95 1mp1A9 GLN 133 HE22 0.00 0.00 0.01 -0.04 7.69 7.67 1mp1A9 GLN 133 HB2 0.00 -0.01 0.02 -0.04 2.15 2.12 1mp1A9 GLN 133 HG2 0.00 -0.04 0.11 -0.04 2.40 2.43 1mp1A9 ARG 134 H 0.00 0.04 0.09 -0.55 8.46 8.04 1mp1A9 ARG 134 HA 0.01 0.01 0.22 -0.75 4.34 3.82 1mp1A9 ARG 134 HB3 0.01 0.06 0.05 -0.04 1.80 1.87 1mp1A9 ARG 134 HG3 0.01 0.00 0.05 -0.04 1.67 1.69 1mp1A9 ARG 134 HD3 0.01 0.00 -0.00 -0.04 3.22 3.19 1mp1A9 ARG 134 HB2 0.01 -0.04 -0.29 -0.04 1.90 1.53 1mp1A9 ARG 134 HG2 0.01 0.01 0.01 -0.04 1.67 1.65 1mp1A9 ARG 134 HD2 0.01 -0.01 -0.04 -0.04 3.22 3.14