============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. HIS 12 0.900 14.223 18.164 4.797 -99.200 -91.000 PHE 17 1.000 7.812 10.978 -3.872 -99.200 -91.000 PHE 20 1.000 7.189 2.089 -3.136 -99.200 -91.000 TYR 23 0.840 1.077 -2.308 -8.871 -99.200 -91.000 PHE 30 1.000 -9.754 -5.662 -9.762 -99.200 -91.000 TYR 43 0.840 -9.168 13.943 1.756 -99.200 -91.000 TRP 61 1.040 7.087 11.412 -8.943 -99.200 -91.000 TRP6 61 1.020 8.872 12.581 -9.950 -99.200 -91.000 TYR 83 0.840 1.938 -7.534 -1.842 -99.200 -91.000 PHE 91 1.000 10.435 -2.675 -2.545 -99.200 -91.000 PHE 95 1.000 9.994 0.572 3.836 -99.200 -91.000 HIS 104 0.900 6.122 -4.431 10.456 -99.200 -91.000 TYR 113 0.840 -7.599 -2.914 -4.528 -99.200 -91.000 PHE 120 1.000 -4.830 -12.926 6.092 -99.200 -91.000 PHE 126 1.000 -7.947 -9.384 7.540 -99.200 -91.000 TYR 132 0.840 -13.030 -1.804 -4.611 -99.200 -91.000 TRP 140 1.040 -18.569 7.592 1.946 -99.200 -91.000 TRP6 140 1.020 -18.625 9.674 0.844 -99.200 -91.000 PHE 141 1.000 -10.869 0.488 -0.313 -99.200 -91.000 TRP 142 1.040 -11.547 4.836 -5.326 -99.200 -91.000 TRP6 142 1.020 -10.240 2.897 -4.999 -99.200 -91.000 HIS 155 0.900 2.932 13.867 17.492 -99.200 -91.000 HIS 156 0.900 0.508 17.276 14.825 -99.200 -91.000 HIS 157 0.900 7.067 14.432 9.952 -99.200 -91.000 HIS 158 0.900 7.312 21.721 17.024 -99.200 -91.000 HIS 159 0.900 4.013 21.009 9.803 -99.200 -91.000 HIS 160 0.900 11.123 24.010 12.746 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2js7A8 MET 1 HA 0.00 -0.08 0.20 -0.75 4.52 3.89 2js7A8 MET 1 HB2 0.00 0.01 0.08 -0.04 2.15 2.20 2js7A8 MET 1 HB3 0.00 0.01 -0.03 -0.04 2.03 1.97 2js7A8 MET 1 HG2 0.00 0.03 0.01 -0.04 2.63 2.63 2js7A8 MET 1 HG3 0.00 -0.01 0.03 -0.04 2.56 2.55 2js7A8 MET 1 HE3 0.01 0.01 0.01 -0.04 2.10 2.08 2js7A8 GLY 2 H 0.00 0.13 0.04 -0.55 8.43 8.05 2js7A8 GLY 2 HA2 0.00 0.02 0.40 -0.51 4.01 3.92 2js7A8 GLY 2 HA3 0.00 0.14 0.43 -0.51 4.01 4.07 2js7A8 ILE 3 H 0.00 0.74 -0.15 -0.55 8.25 8.29 2js7A8 ILE 3 HA 0.00 0.12 0.64 -0.75 4.18 4.18 2js7A8 ILE 3 HB -0.00 0.00 0.18 -0.04 1.89 2.03 2js7A8 ILE 3 HG12 -0.00 0.18 0.04 -0.04 1.49 1.67 2js7A8 ILE 3 HG13 0.00 0.06 -0.18 -0.04 1.21 1.05 2js7A8 ILE 3 HG23 -0.00 -0.01 0.01 -0.04 0.93 0.89 2js7A8 ILE 3 HD13 -0.00 -0.02 0.01 -0.04 0.88 0.83 2js7A8 THR 4 H 0.00 0.02 -0.95 -0.55 8.28 6.80 2js7A8 THR 4 HA 0.00 -0.09 0.23 -0.75 4.39 3.78 2js7A8 THR 4 HB 0.00 -0.02 -0.08 -0.04 4.32 4.19 2js7A8 THR 4 HG23 0.00 -0.01 -0.17 -0.04 1.22 1.00 2js7A8 THR 5 H 0.01 0.03 -0.01 -0.55 8.28 7.75 2js7A8 THR 5 HA 0.01 0.11 0.30 -0.75 4.39 4.04 2js7A8 THR 5 HB 0.01 -0.08 0.17 -0.04 4.32 4.38 2js7A8 THR 5 HG23 0.01 -0.01 -0.08 -0.04 1.22 1.10 2js7A8 LEU 6 H 0.01 0.34 0.33 -0.55 8.37 8.50 2js7A8 LEU 6 HA 0.01 0.08 0.72 -0.75 4.35 4.41 2js7A8 LEU 6 HB2 0.01 -0.04 0.06 -0.04 1.64 1.63 2js7A8 LEU 6 HB3 0.01 0.09 0.07 -0.04 1.64 1.76 2js7A8 LEU 6 HG 0.01 -0.06 -0.55 -0.04 1.64 0.99 2js7A8 LEU 6 HD13 0.00 0.01 -0.06 -0.04 0.93 0.85 2js7A8 LEU 6 HD23 0.00 0.01 0.06 -0.04 0.89 0.93 2js7A8 ASP 7 H 0.02 0.13 0.08 -0.55 8.40 8.08 2js7A8 ASP 7 HA 0.02 0.06 0.63 -0.75 4.63 4.59 2js7A8 ASP 7 HB2 0.03 0.01 0.01 -0.04 2.71 2.72 2js7A8 ASP 7 HB3 0.02 0.01 0.06 -0.04 2.70 2.76 2js7A8 ASP 8 H 0.01 0.14 0.15 -0.55 8.40 8.16 2js7A8 ASP 8 HA 0.01 -0.02 0.42 -0.75 4.63 4.29 2js7A8 ASP 8 HB2 0.01 0.01 -0.04 -0.04 2.71 2.65 2js7A8 ASP 8 HB3 0.02 0.24 0.15 -0.04 2.70 3.07 2js7A8 PRO 9 HA 0.00 0.21 0.58 -0.51 4.44 4.72 2js7A8 PRO 9 HB2 -0.00 0.05 -0.00 -0.04 2.28 2.28 2js7A8 PRO 9 HB3 0.00 0.07 0.02 -0.04 2.02 2.07 2js7A8 PRO 9 HG2 0.00 0.02 0.03 -0.04 2.03 2.04 2js7A8 PRO 9 HG3 0.00 0.10 0.04 -0.04 2.03 2.13 2js7A8 PRO 9 HD2 0.01 -0.01 0.23 -0.04 3.68 3.87 2js7A8 PRO 9 HD3 0.01 0.20 0.12 -0.04 3.65 3.94 2js7A8 LEU 10 H 0.01 -0.01 -0.01 -0.55 8.37 7.81 2js7A8 LEU 10 HA -0.01 0.29 0.81 -0.75 4.35 4.68 2js7A8 LEU 10 HB2 0.01 -0.04 0.01 -0.04 1.64 1.57 2js7A8 LEU 10 HB3 0.00 0.05 0.05 -0.04 1.64 1.70 2js7A8 LEU 10 HG -0.00 -0.09 -0.22 -0.04 1.64 1.28 2js7A8 LEU 10 HD13 -0.00 0.00 -0.03 -0.04 0.93 0.86 2js7A8 LEU 10 HD23 -0.01 0.06 -0.09 -0.04 0.89 0.81 2js7A8 GLY 11 H 0.02 -0.08 -0.05 -0.55 8.43 7.77 2js7A8 GLY 11 HA2 0.03 0.13 0.42 -0.51 4.01 4.08 2js7A8 GLY 11 HA3 0.02 -0.02 0.29 -0.51 4.01 3.80 2js7A8 HIS 12 H 0.08 0.07 -0.22 -0.55 8.41 7.79 2js7A8 HIS 12 HA -0.02 0.04 0.17 -0.75 4.63 4.07 2js7A8 HIS 12 HB2 -0.01 -0.02 -0.35 -0.04 3.26 2.85 2js7A8 HIS 12 HB3 -0.02 0.19 -0.08 -0.04 3.20 3.25 2js7A8 HIS 12 HD2 -0.02 -0.01 0.02 -0.04 6.97 6.91 2js7A8 HIS 12 HE1 -0.06 -0.04 -0.00 -0.04 7.75 7.61 2js7A8 MET 13 H 0.02 -0.16 -0.59 -0.55 8.47 7.20 2js7A8 MET 13 HA -0.05 -0.02 0.26 -0.75 4.52 3.96 2js7A8 MET 13 HB2 -0.10 0.11 -0.08 -0.04 2.15 2.04 2js7A8 MET 13 HB3 -0.03 -0.09 -0.05 -0.04 2.03 1.82 2js7A8 MET 13 HG2 0.01 -0.12 -0.59 -0.04 2.63 1.88 2js7A8 MET 13 HG3 -0.09 0.12 0.01 -0.04 2.56 2.56 2js7A8 MET 13 HE3 0.01 -0.01 -0.04 -0.04 2.10 2.01 2js7A8 PRO 14 HA -0.11 0.10 0.59 -0.51 4.44 4.51 2js7A8 PRO 14 HB2 -0.06 0.02 -0.05 -0.04 2.28 2.15 2js7A8 PRO 14 HB3 -0.05 0.00 0.09 -0.04 2.02 2.02 2js7A8 PRO 14 HG2 -0.03 -0.01 0.03 -0.04 2.03 1.98 2js7A8 PRO 14 HG3 -0.04 0.09 -0.00 -0.04 2.03 2.04 2js7A8 PRO 14 HD2 -0.06 0.07 0.13 -0.04 3.68 3.79 2js7A8 PRO 14 HD3 -0.04 0.05 0.03 -0.04 3.65 3.65 2js7A8 GLU 15 H -0.08 0.07 0.12 -0.55 8.60 8.16 2js7A8 GLU 15 HA -0.08 0.00 0.37 -0.75 4.29 3.83 2js7A8 GLU 15 HB2 -0.11 0.14 0.04 -0.04 2.09 2.12 2js7A8 GLU 15 HB3 -0.10 0.02 0.11 -0.04 1.99 1.97 2js7A8 GLU 15 HG2 -0.04 0.02 0.02 -0.04 2.34 2.30 2js7A8 GLU 15 HG3 -0.05 -0.10 -0.17 -0.04 2.34 1.98 2js7A8 ARG 16 H -0.10 0.00 0.02 -0.55 8.46 7.83 2js7A8 ARG 16 HA -0.24 0.09 0.35 -0.75 4.34 3.79 2js7A8 ARG 16 HB2 -0.05 -0.01 0.05 -0.04 1.90 1.85 2js7A8 ARG 16 HB3 0.00 0.10 0.18 -0.04 1.80 2.04 2js7A8 ARG 16 HG2 -0.12 0.05 -0.02 -0.04 1.67 1.54 2js7A8 ARG 16 HG3 -0.14 -0.23 -0.03 -0.04 1.67 1.23 2js7A8 ARG 16 HD2 -0.15 -0.10 0.05 -0.04 3.22 2.98 2js7A8 ARG 16 HD3 -0.12 0.01 0.06 -0.04 3.22 3.13 2js7A8 PHE 17 H 0.15 0.16 0.15 -0.55 8.34 8.24 2js7A8 PHE 17 HA -0.01 0.06 0.50 -0.75 4.62 4.41 2js7A8 PHE 17 HB2 0.01 0.11 -0.35 -0.04 3.15 2.87 2js7A8 PHE 17 HB3 0.05 -0.04 -0.12 -0.04 3.06 2.90 2js7A8 PHE 17 HD2 -0.03 0.04 -0.25 -0.04 7.28 7.00 2js7A8 PHE 17 HE2 -0.21 -0.00 -0.10 -0.04 7.38 7.02 2js7A8 PHE 17 HZ -0.90 -0.05 -0.08 -0.04 7.32 6.26 2js7A8 ASP 18 H 0.13 0.39 0.38 -0.55 8.40 8.75 2js7A8 ASP 18 HA 0.09 0.18 0.71 -0.75 4.63 4.85 2js7A8 ASP 18 HB2 0.08 -0.15 0.07 -0.04 2.71 2.68 2js7A8 ASP 18 HB3 0.06 0.22 -0.21 -0.04 2.70 2.72 2js7A8 ALA 19 H 0.17 0.23 0.15 -0.55 8.40 8.40 2js7A8 ALA 19 HA 0.15 0.41 0.68 -0.75 4.34 4.83 2js7A8 ALA 19 HB3 0.10 -0.00 -0.25 -0.04 1.41 1.22 2js7A8 PHE 20 H 0.24 0.62 0.24 -0.55 8.34 8.89 2js7A8 PHE 20 HA 0.05 0.21 1.02 -0.75 4.62 5.15 2js7A8 PHE 20 HB2 -0.04 0.05 -0.02 -0.04 3.15 3.10 2js7A8 PHE 20 HB3 0.01 0.02 0.05 -0.04 3.06 3.10 2js7A8 PHE 20 HD2 0.01 -0.05 -0.25 -0.04 7.28 6.95 2js7A8 PHE 20 HE2 0.08 -0.07 -0.21 -0.04 7.38 7.14 2js7A8 PHE 20 HZ -0.12 -0.02 -0.17 -0.04 7.32 6.96 2js7A8 ILE 21 H -0.86 0.75 0.35 -0.55 8.25 7.94 2js7A8 ILE 21 HA 0.03 0.21 0.99 -0.75 4.18 4.66 2js7A8 ILE 21 HB -0.12 -0.11 0.09 -0.04 1.89 1.71 2js7A8 ILE 21 HG12 0.01 0.06 -0.23 -0.04 1.49 1.29 2js7A8 ILE 21 HG13 -0.05 0.03 -0.34 -0.04 1.21 0.82 2js7A8 ILE 21 HG23 0.09 -0.03 -0.18 -0.04 0.93 0.77 2js7A8 ILE 21 HD13 -0.04 0.00 -0.14 -0.04 0.88 0.66 2js7A8 CYS 22 H 0.17 0.70 0.20 -0.55 8.50 9.02 2js7A8 CYS 22 HA 0.12 0.00 1.01 -0.75 4.58 4.96 2js7A8 CYS 22 HB2 0.45 -0.03 0.05 -0.04 2.97 3.40 2js7A8 CYS 22 HB3 0.54 0.04 -0.00 -0.04 2.97 3.51 2js7A8 TYR 23 H -0.10 0.14 0.14 -0.55 8.29 7.92 2js7A8 TYR 23 HA -0.03 0.19 0.94 -0.75 4.56 4.90 2js7A8 TYR 23 HB2 0.07 -0.07 0.04 -0.04 3.06 3.06 2js7A8 TYR 23 HB3 0.03 0.09 -0.20 -0.04 2.98 2.87 2js7A8 TYR 23 HD2 0.01 0.08 -0.37 -0.04 7.15 6.82 2js7A8 TYR 23 HE2 -0.03 -0.02 -0.08 -0.04 6.85 6.68 2js7A8 CYS 24 H 0.31 0.16 0.11 -0.55 8.50 8.53 2js7A8 CYS 24 HA 0.11 0.29 0.90 -0.75 4.58 5.12 2js7A8 CYS 24 HB2 0.15 -0.03 -0.09 -0.04 2.97 2.96 2js7A8 CYS 24 HB3 0.29 0.08 -0.08 -0.04 2.97 3.22 2js7A8 PRO 25 HA 0.24 0.05 0.35 -0.51 4.44 4.57 2js7A8 PRO 25 HB2 0.04 0.06 0.02 -0.04 2.28 2.36 2js7A8 PRO 25 HB3 0.05 0.07 0.10 -0.04 2.02 2.19 2js7A8 PRO 25 HG2 -0.04 0.09 0.10 -0.04 2.03 2.15 2js7A8 PRO 25 HG3 -0.11 0.04 0.10 -0.04 2.03 2.01 2js7A8 PRO 25 HD2 0.00 0.10 0.24 -0.04 3.68 3.98 2js7A8 PRO 25 HD3 -0.17 0.34 0.23 -0.04 3.65 4.00 2js7A8 SER 26 H 0.10 0.07 -0.46 -0.55 8.46 7.62 2js7A8 SER 26 HA 0.08 0.14 0.41 -0.75 4.49 4.36 2js7A8 SER 26 HB2 0.06 0.06 0.07 -0.04 3.95 4.09 2js7A8 SER 26 HB3 0.09 -0.10 -0.00 -0.04 3.93 3.87 2js7A8 ASP 27 H 0.16 0.48 -0.24 -0.55 8.40 8.25 2js7A8 ASP 27 HA 0.24 0.23 0.83 -0.75 4.63 5.18 2js7A8 ASP 27 HB2 0.12 0.02 0.12 -0.04 2.71 2.93 2js7A8 ASP 27 HB3 0.01 -0.02 0.19 -0.04 2.70 2.84 2js7A8 ILE 28 H 0.14 0.51 -0.42 -0.55 8.25 7.92 2js7A8 ILE 28 HA -0.02 -0.01 0.31 -0.75 4.18 3.71 2js7A8 ILE 28 HB 0.15 0.07 0.18 -0.04 1.89 2.25 2js7A8 ILE 28 HG12 0.03 0.03 0.01 -0.04 1.49 1.52 2js7A8 ILE 28 HG13 -0.04 0.01 -0.17 -0.04 1.21 0.97 2js7A8 ILE 28 HG23 0.04 0.05 0.04 -0.04 0.93 1.01 2js7A8 ILE 28 HD13 -0.04 -0.03 0.01 -0.04 0.88 0.79 2js7A8 GLN 29 H 0.03 0.18 -0.28 -0.55 8.47 7.85 2js7A8 GLN 29 HA -0.13 0.08 0.30 -0.75 4.36 3.86 2js7A8 GLN 29 HB2 -0.27 -0.00 0.01 -0.04 2.15 1.85 2js7A8 GLN 29 HB3 -0.27 0.07 0.04 -0.04 2.02 1.82 2js7A8 GLN 29 HG2 -0.02 -0.04 0.05 -0.04 2.40 2.35 2js7A8 GLN 29 HG3 -0.08 0.06 0.03 -0.04 2.39 2.36 2js7A8 GLN 29 HE21 -0.08 0.03 0.01 -0.04 6.97 6.89 2js7A8 GLN 29 HE22 -0.06 0.03 0.00 -0.04 7.69 7.62 2js7A8 PHE 30 H 0.13 0.26 -0.36 -0.55 8.34 7.82 2js7A8 PHE 30 HA -0.20 0.16 0.64 -0.75 4.62 4.47 2js7A8 PHE 30 HB2 -0.44 0.07 0.12 -0.04 3.15 2.86 2js7A8 PHE 30 HB3 -0.82 0.02 0.03 -0.04 3.06 2.25 2js7A8 PHE 30 HD2 -0.12 0.00 0.03 -0.04 7.28 7.15 2js7A8 PHE 30 HE2 0.04 0.04 -0.01 -0.04 7.38 7.42 2js7A8 PHE 30 HZ 0.03 0.03 -0.02 -0.04 7.32 7.31 2js7A8 VAL 31 H -0.10 0.35 -0.03 -0.55 8.24 7.91 2js7A8 VAL 31 HA -0.19 0.06 0.38 -0.75 4.13 3.62 2js7A8 VAL 31 HB -0.45 0.05 0.10 -0.04 2.12 1.77 2js7A8 VAL 31 HG13 -0.79 -0.00 -0.13 -0.04 0.97 0.01 2js7A8 VAL 31 HG23 -0.13 0.04 -0.08 -0.04 0.95 0.74 2js7A8 GLN 32 H -0.19 0.69 -0.04 -0.55 8.47 8.38 2js7A8 GLN 32 HA -0.19 0.01 0.39 -0.75 4.36 3.82 2js7A8 GLN 32 HB2 -0.14 0.08 0.03 -0.04 2.15 2.08 2js7A8 GLN 32 HB3 -0.12 0.03 -0.00 -0.04 2.02 1.89 2js7A8 GLN 32 HG2 -0.12 -0.08 0.02 -0.04 2.40 2.18 2js7A8 GLN 32 HG3 -0.13 0.28 0.04 -0.04 2.39 2.53 2js7A8 GLN 32 HE21 -0.07 -0.02 0.04 -0.04 6.97 6.87 2js7A8 GLN 32 HE22 -0.05 0.03 0.01 -0.04 7.69 7.64 2js7A8 GLU 33 H -0.18 0.21 -0.42 -0.55 8.60 7.66 2js7A8 GLU 33 HA -0.17 0.05 0.41 -0.75 4.29 3.83 2js7A8 GLU 33 HB2 -0.11 0.06 0.15 -0.04 2.09 2.15 2js7A8 GLU 33 HB3 -0.09 0.16 0.15 -0.04 1.99 2.17 2js7A8 GLU 33 HG2 0.22 -0.01 -0.01 -0.04 2.34 2.50 2js7A8 GLU 33 HG3 0.01 0.00 -0.15 -0.04 2.34 2.15 2js7A8 MET 34 H -0.32 0.40 -0.21 -0.55 8.47 7.80 2js7A8 MET 34 HA -1.87 0.04 0.27 -0.75 4.52 2.20 2js7A8 MET 34 HB2 -0.08 0.00 0.06 -0.04 2.15 2.09 2js7A8 MET 34 HB3 -0.19 0.03 0.20 -0.04 2.03 2.03 2js7A8 MET 34 HG2 -0.26 0.02 -0.12 -0.04 2.63 2.23 2js7A8 MET 34 HG3 0.33 -0.05 -0.08 -0.04 2.56 2.71 2js7A8 MET 34 HE3 -0.01 -0.02 -0.04 -0.04 2.10 1.99 2js7A8 ILE 35 H -0.27 0.59 -0.01 -0.55 8.25 8.01 2js7A8 ILE 35 HA -0.15 0.01 0.27 -0.75 4.18 3.56 2js7A8 ILE 35 HB -0.17 0.02 0.12 -0.04 1.89 1.83 2js7A8 ILE 35 HG12 -0.12 -0.03 -0.03 -0.04 1.49 1.28 2js7A8 ILE 35 HG13 -0.20 0.18 0.06 -0.04 1.21 1.21 2js7A8 ILE 35 HG23 -0.08 -0.00 -0.11 -0.04 0.93 0.70 2js7A8 ILE 35 HD13 -0.18 -0.04 -0.10 -0.04 0.88 0.52 2js7A8 ARG 36 H -0.22 0.41 -0.20 -0.55 8.46 7.90 2js7A8 ARG 36 HA -0.11 0.06 0.37 -0.75 4.34 3.91 2js7A8 ARG 36 HB2 -0.10 -0.03 0.07 -0.04 1.90 1.80 2js7A8 ARG 36 HB3 -0.12 -0.01 0.12 -0.04 1.80 1.75 2js7A8 ARG 36 HG2 -0.20 0.20 0.19 -0.04 1.67 1.83 2js7A8 ARG 36 HG3 -0.15 0.01 -0.10 -0.04 1.67 1.38 2js7A8 ARG 36 HD2 -0.08 -0.02 -0.03 -0.04 3.22 3.05 2js7A8 ARG 36 HD3 -0.11 -0.03 -0.07 -0.04 3.22 2.98 2js7A8 GLN 37 H -0.39 0.51 -0.20 -0.55 8.47 7.85 2js7A8 GLN 37 HA -0.14 0.03 0.43 -0.75 4.36 3.93 2js7A8 GLN 37 HB2 -1.02 0.14 0.09 -0.04 2.15 1.32 2js7A8 GLN 37 HB3 -0.29 -0.09 0.10 -0.04 2.02 1.70 2js7A8 GLN 37 HG2 -0.07 -0.03 -0.02 -0.04 2.40 2.24 2js7A8 GLN 37 HG3 -0.19 0.06 0.06 -0.04 2.39 2.28 2js7A8 GLN 37 HE21 0.04 0.00 -0.01 -0.04 6.97 6.96 2js7A8 GLN 37 HE22 0.15 -0.03 -0.01 -0.04 7.69 7.76 2js7A8 LEU 38 H -0.25 0.34 -0.47 -0.55 8.37 7.44 2js7A8 LEU 38 HA 0.04 0.07 0.78 -0.75 4.35 4.49 2js7A8 LEU 38 HB2 -0.07 0.12 0.16 -0.04 1.64 1.80 2js7A8 LEU 38 HB3 0.03 0.00 0.01 -0.04 1.64 1.64 2js7A8 LEU 38 HG -0.26 0.31 -0.12 -0.04 1.64 1.54 2js7A8 LEU 38 HD13 0.00 -0.04 -0.15 -0.04 0.93 0.71 2js7A8 LEU 38 HD23 0.19 -0.04 0.01 -0.04 0.89 1.01 2js7A8 GLU 39 H -0.05 0.32 0.08 -0.55 8.60 8.40 2js7A8 GLU 39 HA 0.03 0.18 0.52 -0.75 4.29 4.26 2js7A8 GLU 39 HB2 -0.02 0.04 0.14 -0.04 2.09 2.21 2js7A8 GLU 39 HB3 0.01 -0.02 0.07 -0.04 1.99 2.01 2js7A8 GLU 39 HG2 0.03 -0.09 0.08 -0.04 2.34 2.32 2js7A8 GLU 39 HG3 0.00 0.01 0.05 -0.04 2.34 2.36 2js7A8 GLN 40 H -0.04 0.44 0.01 -0.55 8.47 8.34 2js7A8 GLN 40 HA -0.01 0.01 0.30 -0.75 4.36 3.89 2js7A8 GLN 40 HB2 -0.02 -0.09 0.09 -0.04 2.15 2.08 2js7A8 GLN 40 HB3 -0.04 0.09 0.15 -0.04 2.02 2.17 2js7A8 GLN 40 HG2 -0.04 0.03 0.04 -0.04 2.40 2.38 2js7A8 GLN 40 HG3 -0.00 -0.04 -0.33 -0.04 2.39 1.98 2js7A8 GLN 40 HE21 -0.01 -0.06 -0.06 -0.04 6.97 6.80 2js7A8 GLN 40 HE22 0.01 0.00 -0.08 -0.04 7.69 7.59 2js7A8 THR 41 H 0.01 0.26 -0.79 -0.55 8.28 7.20 2js7A8 THR 41 HA -0.01 0.10 0.37 -0.75 4.39 4.09 2js7A8 THR 41 HB 0.01 0.10 -0.21 -0.04 4.32 4.18 2js7A8 THR 41 HG23 0.06 -0.01 -0.22 -0.04 1.22 1.01 2js7A8 ASN 42 H -0.04 0.08 0.03 -0.55 8.53 8.06 2js7A8 ASN 42 HA -0.26 -0.04 0.38 -0.75 4.76 4.09 2js7A8 ASN 42 HB2 0.09 0.29 0.05 -0.04 2.88 3.27 2js7A8 ASN 42 HB3 -0.02 -0.01 0.07 -0.04 2.79 2.79 2js7A8 ASN 42 HD21 0.25 0.18 -0.22 -0.04 7.03 7.20 2js7A8 ASN 42 HD22 0.27 -0.09 -0.10 -0.04 7.74 7.78 2js7A8 TYR 43 H 0.07 0.61 0.38 -0.55 8.29 8.80 2js7A8 TYR 43 HA 0.03 0.06 0.87 -0.75 4.56 4.76 2js7A8 TYR 43 HB2 0.05 -0.05 -0.07 -0.04 3.06 2.95 2js7A8 TYR 43 HB3 0.03 0.07 -0.10 -0.04 2.98 2.94 2js7A8 TYR 43 HD2 0.05 -0.01 -0.04 -0.04 7.15 7.11 2js7A8 TYR 43 HE2 0.04 -0.02 -0.01 -0.04 6.85 6.82 2js7A8 ARG 44 H 0.08 0.07 0.05 -0.55 8.46 8.11 2js7A8 ARG 44 HA 0.05 0.11 0.56 -0.75 4.34 4.30 2js7A8 ARG 44 HB2 0.03 0.01 0.08 -0.04 1.90 1.98 2js7A8 ARG 44 HB3 0.04 -0.05 0.13 -0.04 1.80 1.88 2js7A8 ARG 44 HG2 0.02 0.02 -0.24 -0.04 1.67 1.43 2js7A8 ARG 44 HG3 0.03 0.03 0.04 -0.04 1.67 1.73 2js7A8 ARG 44 HD2 0.01 -0.04 -0.03 -0.04 3.22 3.13 2js7A8 ARG 44 HD3 0.01 -0.01 -0.03 -0.04 3.22 3.15 2js7A8 LEU 45 H 0.05 0.14 0.24 -0.55 8.37 8.25 2js7A8 LEU 45 HA 0.04 0.22 0.83 -0.75 4.35 4.69 2js7A8 LEU 45 HB2 0.06 -0.07 -0.06 -0.04 1.64 1.53 2js7A8 LEU 45 HB3 0.06 -0.10 -0.02 -0.04 1.64 1.55 2js7A8 LEU 45 HG 0.10 0.31 -0.40 -0.04 1.64 1.61 2js7A8 LEU 45 HD13 0.07 -0.03 -0.04 -0.04 0.93 0.89 2js7A8 LEU 45 HD23 0.06 0.07 -0.16 -0.04 0.89 0.82 2js7A8 LYS 46 H 0.03 0.19 0.12 -0.55 8.42 8.21 2js7A8 LYS 46 HA 0.04 0.19 0.83 -0.75 4.32 4.64 2js7A8 LYS 46 HB2 -0.18 0.14 0.10 -0.04 1.87 1.88 2js7A8 LYS 46 HB3 -0.51 -0.02 -0.04 -0.04 1.79 1.18 2js7A8 LYS 46 HG2 -0.10 -0.06 -0.24 -0.04 1.46 1.02 2js7A8 LYS 46 HG3 -0.29 0.22 -0.12 -0.04 1.46 1.24 2js7A8 LYS 46 HD2 -0.12 -0.03 0.04 -0.04 1.69 1.54 2js7A8 LYS 46 HD3 0.00 0.14 0.13 -0.04 1.68 1.91 2js7A8 LYS 46 HE2 0.03 -0.05 0.00 -0.04 2.99 2.93 2js7A8 LYS 46 HE3 -0.04 -0.03 -0.06 -0.04 2.99 2.82 2js7A8 LEU 47 H 0.19 0.25 0.05 -0.55 8.37 8.32 2js7A8 LEU 47 HA 0.25 0.35 1.01 -0.75 4.35 5.21 2js7A8 LEU 47 HB2 0.10 -0.00 -0.03 -0.04 1.64 1.66 2js7A8 LEU 47 HB3 0.08 -0.05 0.01 -0.04 1.64 1.63 2js7A8 LEU 47 HG 0.08 0.00 -0.21 -0.04 1.64 1.47 2js7A8 LEU 47 HD13 0.03 -0.00 -0.12 -0.04 0.93 0.80 2js7A8 LEU 47 HD23 0.11 0.04 -0.20 -0.04 0.89 0.80 2js7A8 CYS 48 H 0.10 0.45 0.30 -0.55 8.50 8.80 2js7A8 CYS 48 HA 0.17 -0.01 0.81 -0.75 4.58 4.80 2js7A8 CYS 48 HB2 0.07 -0.02 -0.33 -0.04 2.97 2.65 2js7A8 CYS 48 HB3 0.00 0.06 -0.23 -0.04 2.97 2.76 2js7A8 VAL 49 H -0.05 0.58 0.22 -0.55 8.24 8.44 2js7A8 VAL 49 HA -0.50 0.13 0.89 -0.75 4.13 3.90 2js7A8 VAL 49 HB 0.11 -0.17 0.14 -0.04 2.12 2.15 2js7A8 VAL 49 HG13 -0.04 0.00 -0.08 -0.04 0.97 0.81 2js7A8 VAL 49 HG23 0.00 0.02 -0.15 -0.04 0.95 0.79 2js7A8 SER 50 H -0.23 0.31 0.31 -0.55 8.46 8.30 2js7A8 SER 50 HA 0.17 0.14 0.38 -0.75 4.49 4.42 2js7A8 SER 50 HB2 -0.07 0.05 0.26 -0.04 3.95 4.15 2js7A8 SER 50 HB3 -0.23 -0.21 0.29 -0.04 3.93 3.74 2js7A8 ASP 51 H -0.12 -0.04 0.07 -0.55 8.40 7.76 2js7A8 ASP 51 HA -0.07 0.21 0.47 -0.75 4.63 4.49 2js7A8 ASP 51 HB2 -0.05 0.05 0.07 -0.04 2.71 2.74 2js7A8 ASP 51 HB3 -0.11 0.03 0.11 -0.04 2.70 2.68 2js7A8 ARG 52 H 0.01 -0.07 -0.06 -0.55 8.46 7.80 2js7A8 ARG 52 HA 0.00 0.00 0.17 -0.75 4.34 3.76 2js7A8 ARG 52 HB2 0.01 0.06 -0.40 -0.04 1.90 1.52 2js7A8 ARG 52 HB3 -0.00 0.19 0.10 -0.04 1.80 2.05 2js7A8 ARG 52 HG2 -0.05 0.03 0.12 -0.04 1.67 1.73 2js7A8 ARG 52 HG3 -0.03 -0.04 -0.11 -0.04 1.67 1.45 2js7A8 ARG 52 HD2 0.03 -0.13 -0.44 -0.04 3.22 2.65 2js7A8 ARG 52 HD3 -0.03 -0.01 -0.04 -0.04 3.22 3.10 2js7A8 ASP 53 H -0.01 -0.18 -0.56 -0.55 8.40 7.11 2js7A8 ASP 53 HA -0.02 0.18 0.52 -0.75 4.63 4.56 2js7A8 ASP 53 HB2 -0.01 -0.18 0.06 -0.04 2.71 2.54 2js7A8 ASP 53 HB3 -0.01 0.03 -0.02 -0.04 2.70 2.66 2js7A8 VAL 54 H 0.02 -0.14 -0.08 -0.55 8.24 7.49 2js7A8 VAL 54 HA -0.00 0.20 0.54 -0.75 4.13 4.11 2js7A8 VAL 54 HB 0.01 -0.15 0.16 -0.04 2.12 2.10 2js7A8 VAL 54 HG13 0.03 0.01 -0.00 -0.04 0.97 0.96 2js7A8 VAL 54 HG23 0.11 -0.02 -0.06 -0.04 0.95 0.94 2js7A8 LEU 55 H -0.02 0.05 0.02 -0.55 8.37 7.87 2js7A8 LEU 55 HA -0.06 0.04 0.32 -0.75 4.35 3.90 2js7A8 LEU 55 HB2 -0.03 0.33 0.00 -0.04 1.64 1.90 2js7A8 LEU 55 HB3 -0.06 -0.03 -0.01 -0.04 1.64 1.49 2js7A8 LEU 55 HG -0.01 -0.16 -0.29 -0.04 1.64 1.14 2js7A8 LEU 55 HD13 -0.04 -0.00 -0.13 -0.04 0.93 0.73 2js7A8 LEU 55 HD23 -0.15 0.02 -0.06 -0.04 0.89 0.66 2js7A8 PRO 56 HA -0.05 0.12 0.41 -0.51 4.44 4.41 2js7A8 PRO 56 HB2 -0.04 0.08 0.10 -0.04 2.28 2.38 2js7A8 PRO 56 HB3 -0.04 0.02 0.07 -0.04 2.02 2.03 2js7A8 PRO 56 HG2 -0.05 0.08 0.09 -0.04 2.03 2.11 2js7A8 PRO 56 HG3 -0.04 0.03 0.06 -0.04 2.03 2.04 2js7A8 PRO 56 HD2 -0.06 0.07 0.13 -0.04 3.68 3.78 2js7A8 PRO 56 HD3 -0.04 0.03 0.12 -0.04 3.65 3.72 2js7A8 GLY 57 H -0.07 0.37 0.28 -0.55 8.43 8.47 2js7A8 GLY 57 HA2 -0.09 0.04 0.35 -0.51 4.01 3.81 2js7A8 GLY 57 HA3 -0.06 0.08 0.34 -0.51 4.01 3.85 2js7A8 THR 58 H -0.07 0.20 -0.28 -0.55 8.28 7.57 2js7A8 THR 58 HA -0.06 0.22 0.44 -0.75 4.39 4.24 2js7A8 THR 58 HB -0.08 0.01 0.09 -0.04 4.32 4.29 2js7A8 THR 58 HG23 -0.08 -0.02 -0.20 -0.04 1.22 0.88 2js7A8 CYS 59 H -0.08 0.03 -0.66 -0.55 8.50 7.24 2js7A8 CYS 59 HA -0.08 0.03 0.21 -0.75 4.58 3.98 2js7A8 CYS 59 HB2 -0.02 0.01 -0.18 -0.04 2.97 2.74 2js7A8 CYS 59 HB3 0.00 0.21 -0.16 -0.04 2.97 2.97 2js7A8 VAL 60 H -0.05 -0.11 -0.65 -0.55 8.24 6.89 2js7A8 VAL 60 HA 0.21 0.33 0.66 -0.75 4.13 4.58 2js7A8 VAL 60 HB 0.05 -0.10 -0.02 -0.04 2.12 2.01 2js7A8 VAL 60 HG13 0.01 0.03 -0.17 -0.04 0.97 0.80 2js7A8 VAL 60 HG23 -0.03 -0.04 -0.11 -0.04 0.95 0.72 2js7A8 TRP 61 H 0.52 0.48 0.43 -0.55 7.97 8.85 2js7A8 TRP 61 HA 0.06 0.21 0.82 -0.75 4.62 4.97 2js7A8 TRP 61 HB2 0.25 0.02 0.04 -0.04 3.23 3.50 2js7A8 TRP 61 HB3 0.13 -0.11 0.11 -0.04 3.23 3.32 2js7A8 TRP 61 HD1 0.23 0.16 0.04 -0.04 7.22 7.61 2js7A8 TRP 61 HE1 0.02 0.05 -0.03 -0.04 10.20 10.20 2js7A8 TRP 61 HE3 0.12 -0.04 -0.01 -0.04 7.59 7.63 2js7A8 TRP 61 HZ2 0.01 0.01 -0.03 -0.04 7.44 7.40 2js7A8 TRP 61 HZ3 0.07 -0.03 -0.01 -0.04 7.13 7.12 2js7A8 TRP 61 HH2 0.04 -0.02 -0.02 -0.04 7.19 7.14 2js7A8 SER 62 H 0.34 0.19 0.02 -0.55 8.46 8.47 2js7A8 SER 62 HA 0.16 0.12 0.45 -0.75 4.49 4.47 2js7A8 SER 62 HB2 0.06 -0.03 -0.24 -0.04 3.95 3.70 2js7A8 SER 62 HB3 0.09 -0.07 0.08 -0.04 3.93 3.98 2js7A8 ILE 63 H 0.17 0.12 -0.04 -0.55 8.25 7.95 2js7A8 ILE 63 HA 0.00 0.15 0.58 -0.75 4.18 4.15 2js7A8 ILE 63 HB -0.14 -0.05 0.02 -0.04 1.89 1.68 2js7A8 ILE 63 HG12 0.02 -0.06 -0.07 -0.04 1.49 1.33 2js7A8 ILE 63 HG13 -0.19 0.03 -0.32 -0.04 1.21 0.68 2js7A8 ILE 63 HG23 -0.49 0.01 -0.11 -0.04 0.93 0.30 2js7A8 ILE 63 HD13 -0.27 0.04 -0.14 -0.04 0.88 0.46 2js7A8 ALA 64 H -0.04 0.13 0.09 -0.55 8.40 8.03 2js7A8 ALA 64 HA 0.01 0.13 0.44 -0.75 4.34 4.16 2js7A8 ALA 64 HB3 -0.01 0.02 0.07 -0.04 1.41 1.45 2js7A8 SER 65 H 0.03 0.18 0.17 -0.55 8.46 8.28 2js7A8 SER 65 HA -0.18 0.13 0.31 -0.75 4.49 4.00 2js7A8 SER 65 HB2 0.24 0.04 0.13 -0.04 3.95 4.32 2js7A8 SER 65 HB3 0.01 -0.05 0.14 -0.04 3.93 3.99 2js7A8 GLU 66 H -0.02 0.08 -0.07 -0.55 8.60 8.04 2js7A8 GLU 66 HA 0.02 0.14 0.41 -0.75 4.29 4.10 2js7A8 GLU 66 HB2 0.01 0.08 0.08 -0.04 2.09 2.21 2js7A8 GLU 66 HB3 0.00 -0.01 0.09 -0.04 1.99 2.03 2js7A8 GLU 66 HG2 -0.00 -0.13 -0.02 -0.04 2.34 2.15 2js7A8 GLU 66 HG3 -0.01 0.07 -0.28 -0.04 2.34 2.09 2js7A8 LEU 67 H -0.07 0.17 -0.82 -0.55 8.37 7.10 2js7A8 LEU 67 HA -0.01 0.21 0.72 -0.75 4.35 4.52 2js7A8 LEU 67 HB2 -0.06 -0.01 0.02 -0.04 1.64 1.56 2js7A8 LEU 67 HB3 -0.03 0.02 0.10 -0.04 1.64 1.69 2js7A8 LEU 67 HG -0.01 -0.14 -0.16 -0.04 1.64 1.28 2js7A8 LEU 67 HD13 -0.00 -0.00 -0.00 -0.04 0.93 0.88 2js7A8 LEU 67 HD23 0.00 0.06 -0.14 -0.04 0.89 0.77 2js7A8 ILE 68 H -0.23 0.35 -0.18 -0.55 8.25 7.64 2js7A8 ILE 68 HA -0.32 -0.02 0.29 -0.75 4.18 3.38 2js7A8 ILE 68 HB -1.49 0.02 0.06 -0.04 1.89 0.43 2js7A8 ILE 68 HG12 -0.53 0.12 0.19 -0.04 1.49 1.22 2js7A8 ILE 68 HG13 -1.06 -0.06 -0.01 -0.04 1.21 0.03 2js7A8 ILE 68 HG23 -0.77 0.00 -0.19 -0.04 0.93 -0.06 2js7A8 ILE 68 HD13 -0.96 -0.03 -0.26 -0.04 0.88 -0.41 2js7A8 GLU 69 H 0.17 0.11 -0.21 -0.55 8.60 8.12 2js7A8 GLU 69 HA 0.26 0.21 0.29 -0.75 4.29 4.30 2js7A8 GLU 69 HB2 0.13 0.06 0.00 -0.04 2.09 2.24 2js7A8 GLU 69 HB3 0.37 -0.04 -0.00 -0.04 1.99 2.27 2js7A8 GLU 69 HG2 0.21 -0.05 -0.06 -0.04 2.34 2.40 2js7A8 GLU 69 HG3 0.10 0.04 -0.21 -0.04 2.34 2.23 2js7A8 LYS 70 H 0.04 -0.03 -0.65 -0.55 8.42 7.23 2js7A8 LYS 70 HA 0.06 0.11 0.48 -0.75 4.32 4.22 2js7A8 LYS 70 HB2 0.02 -0.02 0.14 -0.04 1.87 1.97 2js7A8 LYS 70 HB3 0.04 -0.01 0.01 -0.04 1.79 1.79 2js7A8 LYS 70 HG2 0.04 0.02 -0.04 -0.04 1.46 1.44 2js7A8 LYS 70 HG3 0.05 -0.03 0.01 -0.04 1.46 1.44 2js7A8 LYS 70 HD2 0.02 -0.07 0.02 -0.04 1.69 1.62 2js7A8 LYS 70 HD3 0.02 -0.01 -0.00 -0.04 1.68 1.65 2js7A8 LYS 70 HE2 0.01 -0.07 -0.01 -0.04 2.99 2.89 2js7A8 LYS 70 HE3 0.02 -0.01 -0.00 -0.04 2.99 2.96 2js7A8 ARG 71 H 0.00 0.55 0.08 -0.55 8.46 8.54 2js7A8 ARG 71 HA 0.10 0.05 0.53 -0.75 4.34 4.27 2js7A8 ARG 71 HB2 -0.10 0.04 0.09 -0.04 1.90 1.89 2js7A8 ARG 71 HB3 0.02 -0.08 -0.05 -0.04 1.80 1.65 2js7A8 ARG 71 HG2 -0.06 -0.10 -0.02 -0.04 1.67 1.45 2js7A8 ARG 71 HG3 0.12 0.04 0.02 -0.04 1.67 1.81 2js7A8 ARG 71 HD2 -0.04 0.10 0.05 -0.04 3.22 3.29 2js7A8 ARG 71 HD3 -0.00 -0.08 -0.01 -0.04 3.22 3.08 2js7A8 CYS 72 H 0.04 0.42 -0.12 -0.55 8.50 8.30 2js7A8 CYS 72 HA 0.17 0.37 0.50 -0.75 4.58 4.87 2js7A8 CYS 72 HB2 0.08 0.12 -0.11 -0.04 2.97 3.02 2js7A8 CYS 72 HB3 0.16 -0.02 -0.29 -0.04 2.97 2.77 2js7A8 ARG 73 H 0.12 0.27 -0.04 -0.55 8.46 8.26 2js7A8 ARG 73 HA 0.10 0.10 0.86 -0.75 4.34 4.64 2js7A8 ARG 73 HB2 0.08 0.25 0.31 -0.04 1.90 2.49 2js7A8 ARG 73 HB3 0.06 -0.09 0.05 -0.04 1.80 1.78 2js7A8 ARG 73 HG2 0.11 0.11 0.00 -0.04 1.67 1.84 2js7A8 ARG 73 HG3 0.08 -0.03 0.00 -0.04 1.67 1.69 2js7A8 ARG 73 HD2 0.25 -0.07 -0.02 -0.04 3.22 3.34 2js7A8 ARG 73 HD3 0.07 -0.20 0.06 -0.04 3.22 3.10 2js7A8 ARG 74 H 0.10 0.65 0.42 -0.55 8.46 9.07 2js7A8 ARG 74 HA 0.09 0.31 0.69 -0.75 4.34 4.69 2js7A8 ARG 74 HB2 0.08 -0.12 0.10 -0.04 1.90 1.92 2js7A8 ARG 74 HB3 0.07 -0.14 0.11 -0.04 1.80 1.80 2js7A8 ARG 74 HG2 0.05 0.04 0.10 -0.04 1.67 1.82 2js7A8 ARG 74 HG3 0.03 0.09 0.07 -0.04 1.67 1.82 2js7A8 ARG 74 HD2 0.03 -0.06 0.02 -0.04 3.22 3.17 2js7A8 ARG 74 HD3 0.05 -0.01 0.03 -0.04 3.22 3.25 2js7A8 MET 75 H 0.12 0.40 0.14 -0.55 8.47 8.57 2js7A8 MET 75 HA 0.21 0.09 0.75 -0.75 4.52 4.81 2js7A8 MET 75 HB2 0.25 0.15 -0.28 -0.04 2.15 2.24 2js7A8 MET 75 HB3 0.23 -0.02 -0.01 -0.04 2.03 2.19 2js7A8 MET 75 HG2 0.29 -0.07 -0.31 -0.04 2.63 2.50 2js7A8 MET 75 HG3 0.43 -0.03 -0.12 -0.04 2.56 2.80 2js7A8 MET 75 HE3 0.34 -0.03 -0.13 -0.04 2.10 2.24 2js7A8 VAL 76 H 0.13 0.55 0.24 -0.55 8.24 8.61 2js7A8 VAL 76 HA 0.07 0.18 0.60 -0.75 4.13 4.23 2js7A8 VAL 76 HB 0.07 -0.15 0.17 -0.04 2.12 2.18 2js7A8 VAL 76 HG13 0.08 -0.02 -0.15 -0.04 0.97 0.84 2js7A8 VAL 76 HG23 0.06 0.03 -0.07 -0.04 0.95 0.94 2js7A8 VAL 77 H 0.05 0.67 0.22 -0.55 8.24 8.63 2js7A8 VAL 77 HA -0.06 0.24 0.97 -0.75 4.13 4.52 2js7A8 VAL 77 HB 0.06 -0.01 -0.04 -0.04 2.12 2.09 2js7A8 VAL 77 HG13 0.07 -0.03 -0.18 -0.04 0.97 0.79 2js7A8 VAL 77 HG23 0.16 0.07 -0.16 -0.04 0.95 0.98 2js7A8 VAL 78 H -0.24 0.45 0.16 -0.55 8.24 8.06 2js7A8 VAL 78 HA -0.04 0.20 0.60 -0.75 4.13 4.13 2js7A8 VAL 78 HB -0.05 -0.15 0.29 -0.04 2.12 2.17 2js7A8 VAL 78 HG13 0.24 -0.03 -0.08 -0.04 0.97 1.07 2js7A8 VAL 78 HG23 0.21 0.04 -0.02 -0.04 0.95 1.14 2js7A8 VAL 79 H -0.01 0.59 0.27 -0.55 8.24 8.54 2js7A8 VAL 79 HA 0.13 0.08 0.49 -0.75 4.13 4.09 2js7A8 VAL 79 HB 0.15 -0.04 0.04 -0.04 2.12 2.23 2js7A8 VAL 79 HG13 0.34 -0.01 -0.09 -0.04 0.97 1.17 2js7A8 VAL 79 HG23 0.14 0.03 -0.08 -0.04 0.95 1.01 2js7A8 SER 80 H 0.16 0.52 0.25 -0.55 8.46 8.84 2js7A8 SER 80 HA 0.08 0.22 0.87 -0.75 4.49 4.91 2js7A8 SER 80 HB2 0.16 -0.06 0.11 -0.04 3.95 4.13 2js7A8 SER 80 HB3 0.08 -0.08 0.10 -0.04 3.93 4.00 2js7A8 ASP 81 H 0.04 0.22 0.13 -0.55 8.40 8.24 2js7A8 ASP 81 HA 0.02 0.15 0.44 -0.75 4.63 4.49 2js7A8 ASP 81 HB2 -0.00 0.11 0.05 -0.04 2.71 2.82 2js7A8 ASP 81 HB3 -0.02 -0.05 0.14 -0.04 2.70 2.73 2js7A8 ASP 82 H 0.06 0.05 -0.20 -0.55 8.40 7.76 2js7A8 ASP 82 HA 0.04 0.17 0.39 -0.75 4.63 4.48 2js7A8 ASP 82 HB2 0.11 -0.07 -0.00 -0.04 2.71 2.71 2js7A8 ASP 82 HB3 0.07 0.02 0.02 -0.04 2.70 2.76 2js7A8 TYR 83 H 0.20 0.11 -0.36 -0.55 8.29 7.69 2js7A8 TYR 83 HA 0.05 0.01 0.46 -0.75 4.56 4.32 2js7A8 TYR 83 HB2 0.10 -0.17 0.12 -0.04 3.06 3.06 2js7A8 TYR 83 HB3 0.09 0.09 0.30 -0.04 2.98 3.42 2js7A8 TYR 83 HD2 0.09 -0.06 -0.28 -0.04 7.15 6.86 2js7A8 TYR 83 HE2 0.12 -0.00 -0.28 -0.04 6.85 6.65 2js7A8 LEU 84 H 0.16 0.50 0.05 -0.55 8.37 8.53 2js7A8 LEU 84 HA -0.04 0.05 0.35 -0.75 4.35 3.96 2js7A8 LEU 84 HB2 0.02 -0.01 0.07 -0.04 1.64 1.68 2js7A8 LEU 84 HB3 0.02 0.07 0.07 -0.04 1.64 1.76 2js7A8 LEU 84 HG 0.19 0.05 -0.02 -0.04 1.64 1.82 2js7A8 LEU 84 HD13 -0.02 0.04 -0.17 -0.04 0.93 0.74 2js7A8 LEU 84 HD23 0.26 -0.01 -0.03 -0.04 0.89 1.07 2js7A8 GLN 85 H -0.01 0.23 -0.53 -0.55 8.47 7.61 2js7A8 GLN 85 HA -0.03 0.18 0.81 -0.75 4.36 4.56 2js7A8 GLN 85 HB2 -0.01 -0.03 0.17 -0.04 2.15 2.24 2js7A8 GLN 85 HB3 -0.01 -0.03 0.03 -0.04 2.02 1.97 2js7A8 GLN 85 HG2 0.01 0.25 0.12 -0.04 2.40 2.73 2js7A8 GLN 85 HG3 -0.00 -0.02 -0.10 -0.04 2.39 2.23 2js7A8 GLN 85 HE21 -0.00 -0.02 -0.01 -0.04 6.97 6.89 2js7A8 GLN 85 HE22 -0.00 0.02 0.03 -0.04 7.69 7.69 2js7A8 SER 86 H -0.12 0.46 -0.33 -0.55 8.46 7.92 2js7A8 SER 86 HA -0.04 0.20 0.95 -0.75 4.49 4.84 2js7A8 SER 86 HB2 -0.02 0.23 0.16 -0.04 3.95 4.28 2js7A8 SER 86 HB3 -0.12 0.02 0.25 -0.04 3.93 4.05 2js7A8 LYS 87 H -0.04 0.23 0.20 -0.55 8.42 8.25 2js7A8 LYS 87 HA -0.03 0.09 0.42 -0.75 4.32 4.04 2js7A8 LYS 87 HB2 -0.02 0.01 0.16 -0.04 1.87 1.98 2js7A8 LYS 87 HB3 0.00 0.03 0.11 -0.04 1.79 1.90 2js7A8 LYS 87 HG2 -0.00 0.06 0.06 -0.04 1.46 1.53 2js7A8 LYS 87 HG3 -0.00 0.01 0.07 -0.04 1.46 1.50 2js7A8 LYS 87 HD2 -0.03 -0.10 -0.11 -0.04 1.69 1.42 2js7A8 LYS 87 HD3 -0.02 0.03 0.06 -0.04 1.68 1.71 2js7A8 LYS 87 HE2 -0.01 0.06 -0.02 -0.04 2.99 2.98 2js7A8 LYS 87 HE3 -0.01 0.02 0.01 -0.04 2.99 2.97 2js7A8 GLU 88 H -0.09 0.05 -0.45 -0.55 8.60 7.57 2js7A8 GLU 88 HA 0.05 0.11 0.61 -0.75 4.29 4.29 2js7A8 GLU 88 HB2 -0.12 0.03 -0.01 -0.04 2.09 1.95 2js7A8 GLU 88 HB3 0.18 0.01 0.02 -0.04 1.99 2.16 2js7A8 GLU 88 HG2 -0.05 -0.11 0.09 -0.04 2.34 2.23 2js7A8 GLU 88 HG3 -0.04 0.28 0.18 -0.04 2.34 2.72 2js7A8 CYS 89 H -0.34 0.48 -0.11 -0.55 8.50 7.97 2js7A8 CYS 89 HA -0.17 0.06 0.47 -0.75 4.58 4.17 2js7A8 CYS 89 HB2 -0.64 0.06 0.04 -0.04 2.97 2.40 2js7A8 CYS 89 HB3 -0.20 0.16 0.11 -0.04 2.97 2.99 2js7A8 ASP 90 H -0.05 0.16 -0.17 -0.55 8.40 7.80 2js7A8 ASP 90 HA 0.00 0.05 0.47 -0.75 4.63 4.41 2js7A8 ASP 90 HB2 0.03 0.14 0.19 -0.04 2.71 3.03 2js7A8 ASP 90 HB3 0.03 0.02 0.01 -0.04 2.70 2.72 2js7A8 PHE 91 H 0.17 0.48 -0.22 -0.55 8.34 8.22 2js7A8 PHE 91 HA 0.02 0.03 0.37 -0.75 4.62 4.28 2js7A8 PHE 91 HB2 0.01 -0.00 0.13 -0.04 3.15 3.25 2js7A8 PHE 91 HB3 0.05 0.12 0.20 -0.04 3.06 3.38 2js7A8 PHE 91 HD2 0.06 0.00 -0.05 -0.04 7.28 7.25 2js7A8 PHE 91 HE2 -0.13 -0.02 -0.06 -0.04 7.38 7.13 2js7A8 PHE 91 HZ -0.42 0.05 -0.08 -0.04 7.32 6.83 2js7A8 GLN 92 H 0.25 0.49 -0.17 -0.55 8.47 8.50 2js7A8 GLN 92 HA 0.10 0.05 0.37 -0.75 4.36 4.12 2js7A8 GLN 92 HB2 0.38 0.01 0.09 -0.04 2.15 2.60 2js7A8 GLN 92 HB3 0.21 0.04 0.15 -0.04 2.02 2.37 2js7A8 GLN 92 HG2 0.25 0.02 -0.03 -0.04 2.40 2.59 2js7A8 GLN 92 HG3 0.31 -0.02 -0.07 -0.04 2.39 2.57 2js7A8 GLN 92 HE21 0.28 -0.06 -0.11 -0.04 6.97 7.04 2js7A8 GLN 92 HE22 0.15 -0.03 -0.21 -0.04 7.69 7.56 2js7A8 THR 93 H 0.04 0.65 -0.14 -0.55 8.28 8.29 2js7A8 THR 93 HA -0.06 0.01 0.31 -0.75 4.39 3.90 2js7A8 THR 93 HB -0.01 0.07 0.17 -0.04 4.32 4.51 2js7A8 THR 93 HG23 -0.04 -0.01 -0.12 -0.04 1.22 1.00 2js7A8 LYS 94 H -0.04 0.62 -0.10 -0.55 8.42 8.35 2js7A8 LYS 94 HA -0.06 -0.01 0.33 -0.75 4.32 3.82 2js7A8 LYS 94 HB2 -0.09 0.10 0.08 -0.04 1.87 1.92 2js7A8 LYS 94 HB3 -0.05 -0.05 0.03 -0.04 1.79 1.69 2js7A8 LYS 94 HG2 -0.02 -0.06 0.03 -0.04 1.46 1.37 2js7A8 LYS 94 HG3 -0.01 0.24 0.11 -0.04 1.46 1.75 2js7A8 LYS 94 HD2 0.02 -0.02 -0.11 -0.04 1.69 1.55 2js7A8 LYS 94 HD3 0.00 -0.02 -0.02 -0.04 1.68 1.60 2js7A8 LYS 94 HE2 0.00 -0.01 -0.02 -0.04 2.99 2.93 2js7A8 LYS 94 HE3 0.02 -0.05 -0.07 -0.04 2.99 2.85 2js7A8 PHE 95 H -0.07 0.36 -0.46 -0.55 8.34 7.61 2js7A8 PHE 95 HA -0.20 0.06 0.64 -0.75 4.62 4.36 2js7A8 PHE 95 HB2 -0.50 -0.06 0.07 -0.04 3.15 2.61 2js7A8 PHE 95 HB3 -0.33 0.14 0.20 -0.04 3.06 3.03 2js7A8 PHE 95 HD2 -0.15 0.00 -0.01 -0.04 7.28 7.08 2js7A8 PHE 95 HE2 -0.06 -0.03 -0.10 -0.04 7.38 7.15 2js7A8 PHE 95 HZ -0.05 0.14 -0.21 -0.04 7.32 7.16 2js7A8 ALA 96 H -0.13 0.76 0.13 -0.55 8.40 8.62 2js7A8 ALA 96 HA -0.51 0.04 0.32 -0.75 4.34 3.43 2js7A8 ALA 96 HB3 -0.40 0.01 0.06 -0.04 1.41 1.04 2js7A8 LEU 97 H -0.22 0.49 -0.39 -0.55 8.37 7.71 2js7A8 LEU 97 HA -0.15 -0.01 0.39 -0.75 4.35 3.83 2js7A8 LEU 97 HB2 -0.10 0.16 0.00 -0.04 1.64 1.66 2js7A8 LEU 97 HB3 -0.08 -0.06 0.02 -0.04 1.64 1.48 2js7A8 LEU 97 HG -0.12 0.38 -0.00 -0.04 1.64 1.86 2js7A8 LEU 97 HD13 -0.05 -0.03 -0.05 -0.04 0.93 0.76 2js7A8 LEU 97 HD23 -0.08 -0.03 -0.04 -0.04 0.89 0.69 2js7A8 SER 98 H -0.23 0.53 -0.32 -0.55 8.46 7.89 2js7A8 SER 98 HA -0.09 0.03 0.50 -0.75 4.49 4.17 2js7A8 SER 98 HB2 -0.09 -0.05 0.12 -0.04 3.95 3.89 2js7A8 SER 98 HB3 -0.22 0.16 0.11 -0.04 3.93 3.94 2js7A8 LEU 99 H -0.25 0.32 -0.43 -0.55 8.37 7.47 2js7A8 LEU 99 HA -0.12 0.10 0.51 -0.75 4.35 4.09 2js7A8 LEU 99 HB2 -0.10 0.14 0.12 -0.04 1.64 1.76 2js7A8 LEU 99 HB3 -0.08 -0.04 -0.00 -0.04 1.64 1.48 2js7A8 LEU 99 HG -0.78 0.06 -0.06 -0.04 1.64 0.82 2js7A8 LEU 99 HD13 -0.39 -0.02 -0.05 -0.04 0.93 0.43 2js7A8 LEU 99 HD23 -0.29 0.00 -0.10 -0.04 0.89 0.46 2js7A8 SER 100 H -0.04 0.21 -0.19 -0.55 8.46 7.90 2js7A8 SER 100 HA 0.02 0.08 0.32 -0.75 4.49 4.16 2js7A8 SER 100 HB2 -0.01 0.17 0.47 -0.04 3.95 4.54 2js7A8 SER 100 HB3 -0.00 -0.11 0.12 -0.04 3.93 3.90 2js7A8 PRO 101 HA 0.16 0.11 0.28 -0.51 4.44 4.48 2js7A8 PRO 101 HB2 -0.02 -0.20 0.23 -0.04 2.28 2.25 2js7A8 PRO 101 HB3 0.01 0.08 0.10 -0.04 2.02 2.17 2js7A8 PRO 101 HG2 0.01 0.05 0.11 -0.04 2.03 2.16 2js7A8 PRO 101 HG3 0.04 0.06 0.11 -0.04 2.03 2.20 2js7A8 PRO 101 HD2 0.01 0.11 0.19 -0.04 3.68 3.95 2js7A8 PRO 101 HD3 0.03 0.17 0.21 -0.04 3.65 4.02 2js7A8 GLY 102 H -0.07 0.13 0.06 -0.55 8.43 8.01 2js7A8 GLY 102 HA2 -0.15 0.08 0.34 -0.51 4.01 3.77 2js7A8 GLY 102 HA3 -0.08 0.05 0.30 -0.51 4.01 3.77 2js7A8 ALA 103 H -0.07 0.01 -0.49 -0.55 8.40 7.30 2js7A8 ALA 103 HA -0.05 0.05 0.38 -0.75 4.34 3.96 2js7A8 ALA 103 HB3 -0.02 0.05 0.02 -0.04 1.41 1.42 2js7A8 HIS 104 H -0.04 0.71 -0.10 -0.55 8.41 8.43 2js7A8 HIS 104 HA -0.05 0.04 0.40 -0.75 4.63 4.26 2js7A8 HIS 104 HB2 -0.09 -0.12 0.11 -0.04 3.26 3.12 2js7A8 HIS 104 HB3 -0.12 0.08 0.11 -0.04 3.20 3.23 2js7A8 HIS 104 HD2 0.01 -0.07 -0.22 -0.04 6.97 6.64 2js7A8 HIS 104 HE1 -0.02 -0.18 -0.05 -0.04 7.75 7.47 2js7A8 GLN 105 H -0.52 0.32 -0.35 -0.55 8.47 7.38 2js7A8 GLN 105 HA -0.07 0.02 0.47 -0.75 4.36 4.03 2js7A8 GLN 105 HB2 -0.20 0.12 0.15 -0.04 2.15 2.18 2js7A8 GLN 105 HB3 -0.11 -0.06 -0.00 -0.04 2.02 1.80 2js7A8 GLN 105 HG2 -0.14 -0.02 -0.03 -0.04 2.40 2.17 2js7A8 GLN 105 HG3 -0.75 0.19 0.03 -0.04 2.39 1.81 2js7A8 GLN 105 HE21 -0.03 0.06 -0.15 -0.04 6.97 6.81 2js7A8 GLN 105 HE22 -0.04 -0.08 -0.10 -0.04 7.69 7.43 2js7A8 LYS 106 H -0.09 0.41 -0.04 -0.55 8.42 8.15 2js7A8 LYS 106 HA -0.03 0.02 0.55 -0.75 4.32 4.10 2js7A8 LYS 106 HB2 -0.04 0.07 0.16 -0.04 1.87 2.02 2js7A8 LYS 106 HB3 -0.02 0.02 0.03 -0.04 1.79 1.77 2js7A8 LYS 106 HG2 -0.06 0.01 0.08 -0.04 1.46 1.46 2js7A8 LYS 106 HG3 -0.04 -0.07 0.03 -0.04 1.46 1.35 2js7A8 LYS 106 HD2 -0.03 0.04 0.05 -0.04 1.69 1.71 2js7A8 LYS 106 HD3 -0.04 0.01 -0.00 -0.04 1.68 1.61 2js7A8 LYS 106 HE2 -0.03 -0.02 0.01 -0.04 2.99 2.90 2js7A8 LYS 106 HE3 -0.04 -0.02 -0.00 -0.04 2.99 2.89 2js7A8 ARG 107 H -0.00 0.29 -0.28 -0.55 8.46 7.90 2js7A8 ARG 107 HA 0.03 0.07 0.39 -0.75 4.34 4.08 2js7A8 ARG 107 HB2 0.02 0.02 0.07 -0.04 1.90 1.97 2js7A8 ARG 107 HB3 0.06 -0.08 0.14 -0.04 1.80 1.88 2js7A8 ARG 107 HG2 0.12 -0.12 -0.15 -0.04 1.67 1.47 2js7A8 ARG 107 HG3 0.07 0.11 0.07 -0.04 1.67 1.89 2js7A8 ARG 107 HD2 0.03 -0.07 -0.03 -0.04 3.22 3.11 2js7A8 ARG 107 HD3 0.05 -0.15 -0.07 -0.04 3.22 3.02 2js7A8 LEU 108 H 0.07 0.58 -0.00 -0.55 8.37 8.48 2js7A8 LEU 108 HA 0.12 0.01 0.61 -0.75 4.35 4.34 2js7A8 LEU 108 HB2 0.12 0.08 0.13 -0.04 1.64 1.92 2js7A8 LEU 108 HB3 0.13 -0.17 0.02 -0.04 1.64 1.58 2js7A8 LEU 108 HG 0.16 0.23 0.14 -0.04 1.64 2.12 2js7A8 LEU 108 HD13 0.19 -0.05 -0.07 -0.04 0.93 0.96 2js7A8 LEU 108 HD23 0.22 -0.03 -0.07 -0.04 0.89 0.97 2js7A8 ILE 109 H 0.08 0.54 0.26 -0.55 8.25 8.59 2js7A8 ILE 109 HA 0.01 0.41 0.97 -0.75 4.18 4.82 2js7A8 ILE 109 HB 0.04 -0.21 0.10 -0.04 1.89 1.77 2js7A8 ILE 109 HG12 0.01 0.20 -0.17 -0.04 1.49 1.48 2js7A8 ILE 109 HG13 0.04 0.03 -0.23 -0.04 1.21 1.01 2js7A8 ILE 109 HG23 -0.02 -0.02 -0.13 -0.04 0.93 0.72 2js7A8 ILE 109 HD13 0.01 -0.00 -0.14 -0.04 0.88 0.71 2js7A8 PRO 110 HA 0.03 0.22 0.62 -0.51 4.44 4.81 2js7A8 PRO 110 HB2 -0.05 -0.10 0.03 -0.04 2.28 2.13 2js7A8 PRO 110 HB3 0.06 -0.08 0.00 -0.04 2.02 1.97 2js7A8 PRO 110 HG2 -0.03 -0.10 -0.18 -0.04 2.03 1.68 2js7A8 PRO 110 HG3 0.06 -0.02 -0.04 -0.04 2.03 1.98 2js7A8 PRO 110 HD2 -0.03 0.60 0.21 -0.04 3.68 4.43 2js7A8 PRO 110 HD3 0.03 0.32 -0.34 -0.04 3.65 3.62 2js7A8 ILE 111 H -0.02 0.61 0.33 -0.55 8.25 8.62 2js7A8 ILE 111 HA 0.03 0.24 0.92 -0.75 4.18 4.62 2js7A8 ILE 111 HB -0.08 -0.16 0.06 -0.04 1.89 1.67 2js7A8 ILE 111 HG12 0.01 0.27 -0.10 -0.04 1.49 1.62 2js7A8 ILE 111 HG13 0.05 -0.06 -0.07 -0.04 1.21 1.09 2js7A8 ILE 111 HG23 -0.33 -0.01 -0.20 -0.04 0.93 0.35 2js7A8 ILE 111 HD13 -0.04 0.03 -0.12 -0.04 0.88 0.71 2js7A8 LYS 112 H 0.02 0.67 0.20 -0.55 8.42 8.75 2js7A8 LYS 112 HA 0.00 0.13 0.89 -0.75 4.32 4.59 2js7A8 LYS 112 HB2 0.15 0.03 -0.01 -0.04 1.87 2.00 2js7A8 LYS 112 HB3 0.08 -0.04 0.13 -0.04 1.79 1.92 2js7A8 LYS 112 HG2 0.08 -0.09 -0.18 -0.04 1.46 1.23 2js7A8 LYS 112 HG3 0.13 0.10 0.15 -0.04 1.46 1.80 2js7A8 LYS 112 HD2 0.39 0.03 0.00 -0.04 1.69 2.06 2js7A8 LYS 112 HD3 0.22 -0.07 -0.03 -0.04 1.68 1.76 2js7A8 LYS 112 HE2 0.10 -0.08 -0.04 -0.04 2.99 2.92 2js7A8 LYS 112 HE3 0.12 -0.03 0.20 -0.04 2.99 3.24 2js7A8 TYR 113 H -0.03 0.18 0.14 -0.55 8.29 8.03 2js7A8 TYR 113 HA 0.05 0.15 0.68 -0.75 4.56 4.69 2js7A8 TYR 113 HB2 -0.22 -0.08 0.06 -0.04 3.06 2.78 2js7A8 TYR 113 HB3 -0.27 0.04 0.04 -0.04 2.98 2.74 2js7A8 TYR 113 HD2 -0.36 -0.01 -0.02 -0.04 7.15 6.72 2js7A8 TYR 113 HE2 0.18 0.01 -0.08 -0.04 6.85 6.91 2js7A8 LYS 114 H 0.06 0.10 0.06 -0.55 8.42 8.09 2js7A8 LYS 114 HA 0.02 0.26 0.86 -0.75 4.32 4.70 2js7A8 LYS 114 HB2 -0.01 0.05 -0.02 -0.04 1.87 1.85 2js7A8 LYS 114 HB3 -0.10 0.03 -0.10 -0.04 1.79 1.59 2js7A8 LYS 114 HG2 0.02 -0.02 0.14 -0.04 1.46 1.56 2js7A8 LYS 114 HG3 0.02 -0.02 -0.10 -0.04 1.46 1.32 2js7A8 LYS 114 HD2 0.02 -0.30 0.11 -0.04 1.69 1.48 2js7A8 LYS 114 HD3 -0.00 0.10 -0.03 -0.04 1.68 1.70 2js7A8 LYS 114 HE2 -0.11 0.12 -0.04 -0.04 2.99 2.92 2js7A8 LYS 114 HE3 -0.06 -0.03 0.00 -0.04 2.99 2.86 2js7A8 ALA 115 H 0.02 0.19 0.07 -0.55 8.40 8.12 2js7A8 ALA 115 HA 0.04 0.17 0.60 -0.75 4.34 4.40 2js7A8 ALA 115 HB3 0.02 0.02 0.13 -0.04 1.41 1.54 2js7A8 MET 116 H 0.04 0.50 0.01 -0.55 8.47 8.47 2js7A8 MET 116 HA -0.01 0.11 0.67 -0.75 4.52 4.54 2js7A8 MET 116 HB2 -0.03 -0.13 0.07 -0.04 2.15 2.02 2js7A8 MET 116 HB3 0.01 -0.13 0.08 -0.04 2.03 1.95 2js7A8 MET 116 HG2 0.05 -0.17 -0.03 -0.04 2.63 2.44 2js7A8 MET 116 HG3 0.05 0.24 0.16 -0.04 2.56 2.97 2js7A8 MET 116 HE3 -0.23 -0.07 -0.26 -0.04 2.10 1.50 2js7A8 LYS 117 H -0.06 0.07 0.12 -0.55 8.42 8.00 2js7A8 LYS 117 HA -0.14 0.28 0.76 -0.75 4.32 4.47 2js7A8 LYS 117 HB2 -0.05 -0.04 0.04 -0.04 1.87 1.78 2js7A8 LYS 117 HB3 -0.06 0.03 0.13 -0.04 1.79 1.85 2js7A8 LYS 117 HG2 -0.03 0.10 -0.16 -0.04 1.46 1.33 2js7A8 LYS 117 HG3 -0.03 -0.01 -0.37 -0.04 1.46 1.02 2js7A8 LYS 117 HD2 -0.02 -0.03 -0.03 -0.04 1.69 1.57 2js7A8 LYS 117 HD3 -0.02 0.01 -0.03 -0.04 1.68 1.60 2js7A8 LYS 117 HE2 -0.01 0.02 -0.07 -0.04 2.99 2.89 2js7A8 LYS 117 HE3 -0.01 0.03 -0.06 -0.04 2.99 2.91 2js7A8 LYS 118 H -0.15 -0.09 -0.08 -0.55 8.42 7.55 2js7A8 LYS 118 HA -0.11 0.05 0.46 -0.75 4.32 3.96 2js7A8 LYS 118 HB2 -0.08 -0.20 0.11 -0.04 1.87 1.66 2js7A8 LYS 118 HB3 -0.14 0.11 -0.10 -0.04 1.79 1.62 2js7A8 LYS 118 HG2 -0.05 -0.00 0.06 -0.04 1.46 1.43 2js7A8 LYS 118 HG3 -0.03 -0.02 0.08 -0.04 1.46 1.45 2js7A8 LYS 118 HD2 -0.05 0.14 -0.07 -0.04 1.69 1.67 2js7A8 LYS 118 HD3 -0.07 -0.22 0.12 -0.04 1.68 1.46 2js7A8 LYS 118 HE2 -0.03 -0.02 -0.01 -0.04 2.99 2.89 2js7A8 LYS 118 HE3 -0.02 -0.01 -0.15 -0.04 2.99 2.78 2js7A8 GLU 119 H -0.11 0.05 0.12 -0.55 8.60 8.12 2js7A8 GLU 119 HA -0.13 0.06 0.37 -0.75 4.29 3.84 2js7A8 GLU 119 HB2 -0.03 -0.03 0.01 -0.04 2.09 2.00 2js7A8 GLU 119 HB3 -0.01 0.05 -0.03 -0.04 1.99 1.96 2js7A8 GLU 119 HG2 -0.02 0.03 0.02 -0.04 2.34 2.33 2js7A8 GLU 119 HG3 -0.04 0.05 0.06 -0.04 2.34 2.38 2js7A8 PHE 120 H 0.04 0.13 0.11 -0.55 8.34 8.07 2js7A8 PHE 120 HA 0.07 0.14 0.62 -0.75 4.62 4.69 2js7A8 PHE 120 HB2 0.03 0.01 0.12 -0.04 3.15 3.27 2js7A8 PHE 120 HB3 0.08 -0.08 -0.04 -0.04 3.06 2.99 2js7A8 PHE 120 HD2 0.03 -0.04 -0.05 -0.04 7.28 7.18 2js7A8 PHE 120 HE2 -0.05 -0.03 -0.08 -0.04 7.38 7.18 2js7A8 PHE 120 HZ -0.41 0.01 -0.07 -0.04 7.32 6.81 2js7A8 PRO 121 HA 0.09 0.10 0.41 -0.51 4.44 4.53 2js7A8 PRO 121 HB2 0.09 -0.09 0.01 -0.04 2.28 2.25 2js7A8 PRO 121 HB3 0.07 0.12 0.09 -0.04 2.02 2.26 2js7A8 PRO 121 HG2 0.18 -0.10 0.10 -0.04 2.03 2.16 2js7A8 PRO 121 HG3 0.12 0.10 0.08 -0.04 2.03 2.29 2js7A8 PRO 121 HD2 0.28 0.02 0.23 -0.04 3.68 4.17 2js7A8 PRO 121 HD3 0.09 0.40 0.23 -0.04 3.65 4.33 2js7A8 SER 122 H 0.07 0.19 0.16 -0.55 8.46 8.33 2js7A8 SER 122 HA 0.09 0.13 0.27 -0.75 4.49 4.22 2js7A8 SER 122 HB2 0.05 -0.02 0.05 -0.04 3.95 3.99 2js7A8 SER 122 HB3 0.06 0.06 0.05 -0.04 3.93 4.06 2js7A8 ILE 123 H 0.09 -0.06 -0.67 -0.55 8.25 7.06 2js7A8 ILE 123 HA 0.11 0.14 0.30 -0.75 4.18 3.97 2js7A8 ILE 123 HB 0.02 -0.05 -0.00 -0.04 1.89 1.82 2js7A8 ILE 123 HG12 -0.06 -0.07 -0.05 -0.04 1.49 1.27 2js7A8 ILE 123 HG13 -0.08 0.08 -0.06 -0.04 1.21 1.11 2js7A8 ILE 123 HG23 0.10 -0.01 -0.17 -0.04 0.93 0.81 2js7A8 ILE 123 HD13 -0.30 0.01 -0.04 -0.04 0.88 0.51 2js7A8 LEU 124 H 0.15 0.24 -0.22 -0.55 8.37 8.00 2js7A8 LEU 124 HA 0.15 0.29 0.74 -0.75 4.35 4.78 2js7A8 LEU 124 HB2 0.14 -0.02 -0.03 -0.04 1.64 1.69 2js7A8 LEU 124 HB3 0.17 0.11 -0.18 -0.04 1.64 1.70 2js7A8 LEU 124 HG 0.20 -0.03 0.01 -0.04 1.64 1.78 2js7A8 LEU 124 HD13 0.30 -0.00 -0.11 -0.04 0.93 1.08 2js7A8 LEU 124 HD23 0.25 0.01 -0.11 -0.04 0.89 0.99 2js7A8 ARG 125 H 0.17 0.38 0.08 -0.55 8.46 8.54 2js7A8 ARG 125 HA 0.17 -0.05 0.15 -0.75 4.34 3.86 2js7A8 ARG 125 HB2 0.04 0.01 0.08 -0.04 1.90 1.98 2js7A8 ARG 125 HB3 0.10 0.01 -0.17 -0.04 1.80 1.70 2js7A8 ARG 125 HG2 0.08 0.02 -0.54 -0.04 1.67 1.18 2js7A8 ARG 125 HG3 0.03 0.10 -0.33 -0.04 1.67 1.43 2js7A8 ARG 125 HD2 0.03 0.04 -0.10 -0.04 3.22 3.16 2js7A8 ARG 125 HD3 0.03 -0.02 -0.06 -0.04 3.22 3.13 2js7A8 PHE 126 H 0.10 -0.02 -0.54 -0.55 8.34 7.34 2js7A8 PHE 126 HA -0.16 -0.05 0.16 -0.75 4.62 3.81 2js7A8 PHE 126 HB2 -1.57 -0.12 -0.29 -0.04 3.15 1.13 2js7A8 PHE 126 HB3 -0.54 0.21 -0.15 -0.04 3.06 2.54 2js7A8 PHE 126 HD2 -0.15 0.01 -0.00 -0.04 7.28 7.09 2js7A8 PHE 126 HE2 0.02 -0.02 -0.01 -0.04 7.38 7.32 2js7A8 PHE 126 HZ 0.02 -0.04 -0.02 -0.04 7.32 7.24 2js7A8 ILE 127 H -0.03 0.45 -0.26 -0.55 8.25 7.86 2js7A8 ILE 127 HA -0.07 0.04 0.33 -0.75 4.18 3.73 2js7A8 ILE 127 HB -0.04 0.01 0.03 -0.04 1.89 1.85 2js7A8 ILE 127 HG12 -0.07 0.07 -0.33 -0.04 1.49 1.12 2js7A8 ILE 127 HG13 -0.05 -0.06 -0.04 -0.04 1.21 1.02 2js7A8 ILE 127 HG23 -0.03 -0.00 0.11 -0.04 0.93 0.96 2js7A8 ILE 127 HD13 -0.06 -0.00 -0.10 -0.04 0.88 0.68 2js7A8 THR 128 H -0.09 0.16 -0.06 -0.55 8.28 7.73 2js7A8 THR 128 HA -0.13 0.17 0.94 -0.75 4.39 4.61 2js7A8 THR 128 HB -0.06 -0.03 -0.01 -0.04 4.32 4.17 2js7A8 THR 128 HG23 -0.04 0.00 0.16 -0.04 1.22 1.30 2js7A8 VAL 129 H -0.33 0.24 -0.11 -0.55 8.24 7.49 2js7A8 VAL 129 HA -0.13 0.29 0.67 -0.75 4.13 4.21 2js7A8 VAL 129 HB -0.62 -0.06 -0.09 -0.04 2.12 1.31 2js7A8 VAL 129 HG13 -0.90 0.01 -0.05 -0.04 0.97 -0.01 2js7A8 VAL 129 HG23 -0.03 -0.03 -0.19 -0.04 0.95 0.66 2js7A8 CYS 130 H -0.01 0.71 0.32 -0.55 8.50 8.98 2js7A8 CYS 130 HA 0.07 0.16 0.92 -0.75 4.58 4.97 2js7A8 CYS 130 HB2 0.05 -0.08 0.13 -0.04 2.97 3.03 2js7A8 CYS 130 HB3 0.07 0.02 -0.03 -0.04 2.97 2.99 2js7A8 ASP 131 H 0.11 0.22 0.06 -0.55 8.40 8.24 2js7A8 ASP 131 HA 0.05 0.12 0.64 -0.75 4.63 4.68 2js7A8 ASP 131 HB2 0.04 0.02 0.18 -0.04 2.71 2.92 2js7A8 ASP 131 HB3 0.02 -0.17 0.08 -0.04 2.70 2.58 2js7A8 TYR 132 H -0.13 0.73 0.33 -0.55 8.29 8.67 2js7A8 TYR 132 HA -1.24 0.16 0.51 -0.75 4.56 3.24 2js7A8 TYR 132 HB2 -0.97 -0.03 0.00 -0.04 3.06 2.02 2js7A8 TYR 132 HB3 -0.26 0.04 0.21 -0.04 2.98 2.92 2js7A8 TYR 132 HD2 -0.68 0.06 0.06 -0.04 7.15 6.55 2js7A8 TYR 132 HE2 -0.21 -0.00 0.02 -0.04 6.85 6.62 2js7A8 THR 133 H -0.12 -0.09 -0.50 -0.55 8.28 7.02 2js7A8 THR 133 HA -0.22 0.20 0.66 -0.75 4.39 4.28 2js7A8 THR 133 HB -0.05 0.02 -0.06 -0.04 4.32 4.19 2js7A8 THR 133 HG23 -0.02 0.01 -0.16 -0.04 1.22 1.01 2js7A8 ASN 134 H -0.06 -0.02 -0.10 -0.55 8.53 7.81 2js7A8 ASN 134 HA -0.03 0.11 0.37 -0.75 4.76 4.45 2js7A8 ASN 134 HB2 0.01 0.04 0.11 -0.04 2.88 2.99 2js7A8 ASN 134 HB3 0.01 0.06 0.13 -0.04 2.79 2.96 2js7A8 ASN 134 HD21 0.01 0.04 0.04 -0.04 7.03 7.08 2js7A8 ASN 134 HD22 0.02 0.02 0.01 -0.04 7.74 7.74 2js7A8 PRO 135 HA -0.09 0.12 0.28 -0.51 4.44 4.23 2js7A8 PRO 135 HB2 -0.01 -0.03 0.11 -0.04 2.28 2.31 2js7A8 PRO 135 HB3 -0.04 0.06 0.10 -0.04 2.02 2.09 2js7A8 PRO 135 HG2 -0.02 0.03 0.11 -0.04 2.03 2.10 2js7A8 PRO 135 HG3 -0.05 0.10 0.14 -0.04 2.03 2.18 2js7A8 PRO 135 HD2 -0.02 0.04 0.20 -0.04 3.68 3.86 2js7A8 PRO 135 HD3 -0.05 0.27 0.27 -0.04 3.65 4.11 2js7A8 CYS 136 H 0.01 0.12 -0.18 -0.55 8.50 7.91 2js7A8 CYS 136 HA 0.09 0.08 0.35 -0.75 4.58 4.35 2js7A8 CYS 136 HB2 0.05 0.01 0.09 -0.04 2.97 3.08 2js7A8 CYS 136 HB3 0.05 -0.04 0.07 -0.04 2.97 3.01 2js7A8 THR 137 H 0.06 0.13 -0.15 -0.55 8.28 7.78 2js7A8 THR 137 HA 0.18 0.13 0.56 -0.75 4.39 4.51 2js7A8 THR 137 HB 0.10 -0.02 0.04 -0.04 4.32 4.39 2js7A8 THR 137 HG23 0.10 0.03 -0.02 -0.04 1.22 1.29 2js7A8 LYS 138 H -0.00 0.23 -0.53 -0.55 8.42 7.56 2js7A8 LYS 138 HA -0.19 0.07 0.50 -0.75 4.32 3.95 2js7A8 LYS 138 HB2 -0.23 0.03 -0.67 -0.04 1.87 0.95 2js7A8 LYS 138 HB3 -0.17 -0.03 -0.07 -0.04 1.79 1.49 2js7A8 LYS 138 HG2 -0.38 -0.08 -0.22 -0.04 1.46 0.74 2js7A8 LYS 138 HG3 -0.75 0.19 -0.05 -0.04 1.46 0.81 2js7A8 LYS 138 HD2 -0.30 0.16 -0.12 -0.04 1.69 1.39 2js7A8 LYS 138 HD3 -0.23 -0.09 -0.08 -0.04 1.68 1.24 2js7A8 LYS 138 HE2 -0.24 -0.07 0.01 -0.04 2.99 2.65 2js7A8 LYS 138 HE3 -0.36 -0.07 -0.02 -0.04 2.99 2.50 2js7A8 SER 139 H -0.08 0.62 0.02 -0.55 8.46 8.47 2js7A8 SER 139 HA -0.28 0.04 0.42 -0.75 4.49 3.91 2js7A8 SER 139 HB2 -0.21 0.09 0.10 -0.04 3.95 3.90 2js7A8 SER 139 HB3 -0.57 -0.03 0.05 -0.04 3.93 3.33 2js7A8 TRP 140 H 0.12 0.21 -0.47 -0.55 7.97 7.28 2js7A8 TRP 140 HA 0.04 0.17 0.79 -0.75 4.62 4.86 2js7A8 TRP 140 HB2 0.03 0.09 0.06 -0.04 3.23 3.38 2js7A8 TRP 140 HB3 0.05 -0.05 0.14 -0.04 3.23 3.33 2js7A8 TRP 140 HD1 0.01 0.17 0.03 -0.04 7.22 7.39 2js7A8 TRP 140 HE1 0.01 -0.02 -0.03 -0.04 10.20 10.12 2js7A8 TRP 140 HE3 0.06 -0.06 0.03 -0.04 7.59 7.58 2js7A8 TRP 140 HZ2 0.02 -0.02 -0.02 -0.04 7.44 7.38 2js7A8 TRP 140 HZ3 0.03 -0.00 0.01 -0.04 7.13 7.13 2js7A8 TRP 140 HH2 0.02 -0.01 -0.00 -0.04 7.19 7.16 2js7A8 PHE 141 H 0.04 0.40 -0.53 -0.55 8.34 7.69 2js7A8 PHE 141 HA 0.01 0.15 0.31 -0.75 4.62 4.34 2js7A8 PHE 141 HB2 -0.22 0.15 0.27 -0.04 3.15 3.32 2js7A8 PHE 141 HB3 -0.76 -0.09 0.09 -0.04 3.06 2.26 2js7A8 PHE 141 HD2 -0.55 0.15 -0.14 -0.04 7.28 6.70 2js7A8 PHE 141 HE2 0.04 -0.12 -0.44 -0.04 7.38 6.81 2js7A8 PHE 141 HZ -0.11 -0.00 -0.13 -0.04 7.32 7.03 2js7A8 TRP 142 H -0.12 0.18 -0.09 -0.55 7.97 7.40 2js7A8 TRP 142 HA 0.08 0.04 0.39 -0.75 4.62 4.37 2js7A8 TRP 142 HB2 0.14 -0.01 0.02 -0.04 3.23 3.33 2js7A8 TRP 142 HB3 0.11 0.20 -0.08 -0.04 3.23 3.42 2js7A8 TRP 142 HD1 0.10 0.04 -0.00 -0.04 7.22 7.31 2js7A8 TRP 142 HE1 0.12 -0.01 -0.04 -0.04 10.20 10.22 2js7A8 TRP 142 HE3 0.16 0.02 -0.17 -0.04 7.59 7.56 2js7A8 TRP 142 HZ2 0.03 -0.02 -0.09 -0.04 7.44 7.33 2js7A8 TRP 142 HZ3 0.46 -0.03 -0.11 -0.04 7.13 7.41 2js7A8 TRP 142 HH2 0.07 -0.05 -0.06 -0.04 7.19 7.11 2js7A8 THR 143 H 0.36 0.05 -0.32 -0.55 8.28 7.82 2js7A8 THR 143 HA 0.37 0.07 0.41 -0.75 4.39 4.49 2js7A8 THR 143 HB 0.45 0.09 0.06 -0.04 4.32 4.88 2js7A8 THR 143 HG23 0.31 0.01 -0.07 -0.04 1.22 1.42 2js7A8 ARG 144 H 0.19 0.56 -0.19 -0.55 8.46 8.47 2js7A8 ARG 144 HA 0.04 0.02 0.40 -0.75 4.34 4.05 2js7A8 ARG 144 HB2 0.07 -0.01 0.09 -0.04 1.90 2.01 2js7A8 ARG 144 HB3 -0.06 0.11 0.18 -0.04 1.80 1.98 2js7A8 ARG 144 HG2 -0.08 0.02 -0.29 -0.04 1.67 1.28 2js7A8 ARG 144 HG3 -0.02 -0.02 -0.01 -0.04 1.67 1.58 2js7A8 ARG 144 HD2 0.03 -0.05 -0.02 -0.04 3.22 3.15 2js7A8 ARG 144 HD3 -0.06 0.00 -0.03 -0.04 3.22 3.09 2js7A8 LEU 145 H -0.04 0.59 -0.07 -0.55 8.37 8.31 2js7A8 LEU 145 HA -0.06 0.05 0.35 -0.75 4.35 3.94 2js7A8 LEU 145 HB2 -0.22 0.00 0.06 -0.04 1.64 1.44 2js7A8 LEU 145 HB3 0.13 0.03 0.14 -0.04 1.64 1.89 2js7A8 LEU 145 HG 0.06 0.03 -0.26 -0.04 1.64 1.42 2js7A8 LEU 145 HD13 -0.02 -0.01 -0.06 -0.04 0.93 0.80 2js7A8 LEU 145 HD23 0.15 -0.03 -0.10 -0.04 0.89 0.87 2js7A8 ALA 146 H 0.16 0.66 -0.01 -0.55 8.40 8.67 2js7A8 ALA 146 HA 0.09 -0.05 0.31 -0.75 4.34 3.94 2js7A8 ALA 146 HB3 0.28 0.03 0.15 -0.04 1.41 1.83 2js7A8 LYS 147 H 0.03 0.48 -0.28 -0.55 8.42 8.09 2js7A8 LYS 147 HA -0.57 0.01 0.45 -0.75 4.32 3.46 2js7A8 LYS 147 HB2 -0.54 0.01 0.11 -0.04 1.87 1.40 2js7A8 LYS 147 HB3 -0.15 0.10 0.14 -0.04 1.79 1.83 2js7A8 LYS 147 HG2 -0.23 -0.07 -0.02 -0.04 1.46 1.10 2js7A8 LYS 147 HG3 -0.22 0.03 -0.17 -0.04 1.46 1.06 2js7A8 LYS 147 HD2 -0.54 0.01 0.06 -0.04 1.69 1.18 2js7A8 LYS 147 HD3 -1.23 -0.03 -0.00 -0.04 1.68 0.38 2js7A8 LYS 147 HE2 -0.16 0.03 -0.04 -0.04 2.99 2.78 2js7A8 LYS 147 HE3 -0.18 -0.01 -0.02 -0.04 2.99 2.75 2js7A8 ALA 148 H -0.06 0.52 -0.12 -0.55 8.40 8.20 2js7A8 ALA 148 HA -0.05 0.00 0.36 -0.75 4.34 3.90 2js7A8 ALA 148 HB3 -0.03 0.01 0.11 -0.04 1.41 1.45 2js7A8 LEU 149 H -0.01 0.46 -0.37 -0.55 8.37 7.90 2js7A8 LEU 149 HA 0.03 0.05 0.44 -0.75 4.35 4.12 2js7A8 LEU 149 HB2 0.04 0.16 0.01 -0.04 1.64 1.81 2js7A8 LEU 149 HB3 0.06 -0.16 -0.14 -0.04 1.64 1.36 2js7A8 LEU 149 HG 0.03 0.40 -0.13 -0.04 1.64 1.91 2js7A8 LEU 149 HD13 0.06 -0.05 -0.17 -0.04 0.93 0.72 2js7A8 LEU 149 HD23 0.05 -0.04 -0.17 -0.04 0.89 0.68 2js7A8 SER 150 H -0.04 0.36 -0.18 -0.55 8.46 8.06 2js7A8 SER 150 HA 0.01 0.01 0.54 -0.75 4.49 4.29 2js7A8 SER 150 HB2 -0.02 -0.09 0.13 -0.04 3.95 3.93 2js7A8 SER 150 HB3 -0.02 -0.01 0.08 -0.04 3.93 3.94 2js7A8 LEU 151 H -0.04 0.20 -0.58 -0.55 8.37 7.41 2js7A8 LEU 151 HA -0.02 0.04 0.73 -0.75 4.35 4.35 2js7A8 LEU 151 HB2 -0.03 0.15 0.19 -0.04 1.64 1.91 2js7A8 LEU 151 HB3 -0.02 0.01 0.04 -0.04 1.64 1.62 2js7A8 LEU 151 HG -0.09 0.31 -0.07 -0.04 1.64 1.75 2js7A8 LEU 151 HD13 -0.05 -0.05 -0.05 -0.04 0.93 0.73 2js7A8 LEU 151 HD23 -0.05 -0.02 -0.05 -0.04 0.89 0.72 2js7A8 PRO 152 HA -0.01 0.09 0.28 -0.51 4.44 4.29 2js7A8 PRO 152 HB2 -0.18 -0.12 -0.22 -0.04 2.28 1.72 2js7A8 PRO 152 HB3 -0.06 0.01 0.06 -0.04 2.02 1.98 2js7A8 PRO 152 HG2 -0.01 0.43 -0.07 -0.04 2.03 2.34 2js7A8 PRO 152 HG3 0.03 -0.13 0.12 -0.04 2.03 2.01 2js7A8 PRO 152 HD2 0.01 0.04 0.26 -0.04 3.68 3.95 2js7A8 PRO 152 HD3 0.01 0.27 0.28 -0.04 3.65 4.17 2js7A8 LEU 153 H -0.09 0.04 0.01 -0.55 8.37 7.78 2js7A8 LEU 153 HA -0.03 0.24 0.48 -0.75 4.35 4.29 2js7A8 LEU 153 HB2 -0.05 -0.21 0.17 -0.04 1.64 1.51 2js7A8 LEU 153 HB3 -0.02 0.00 0.01 -0.04 1.64 1.59 2js7A8 LEU 153 HG 0.00 -0.05 0.06 -0.04 1.64 1.61 2js7A8 LEU 153 HD13 0.03 0.04 0.06 -0.04 0.93 1.02 2js7A8 LEU 153 HD23 0.02 0.08 -0.14 -0.04 0.89 0.81 2js7A8 GLU 154 H -0.13 0.10 0.01 -0.55 8.60 8.03 2js7A8 GLU 154 HA -0.02 0.07 0.51 -0.75 4.29 4.10 2js7A8 GLU 154 HB2 -0.22 -0.01 0.14 -0.04 2.09 1.96 2js7A8 GLU 154 HB3 -0.10 -0.00 0.07 -0.04 1.99 1.92 2js7A8 GLU 154 HG2 -0.03 0.00 0.04 -0.04 2.34 2.31 2js7A8 GLU 154 HG3 -0.02 0.01 0.01 -0.04 2.34 2.30 2js7A8 HIS 155 H 0.02 0.36 0.15 -0.55 8.41 8.40 2js7A8 HIS 155 HA -0.06 0.07 0.29 -0.75 4.63 4.18 2js7A8 HIS 155 HB2 -0.23 0.00 0.02 -0.04 3.26 3.01 2js7A8 HIS 155 HB3 -0.11 -0.03 0.05 -0.04 3.20 3.06 2js7A8 HIS 155 HD2 -0.10 -0.10 -0.31 -0.04 6.97 6.42 2js7A8 HIS 155 HE1 -0.15 -0.04 0.03 -0.04 7.75 7.55 2js7A8 HIS 156 H -1.13 0.32 0.43 -0.55 8.41 7.48 2js7A8 HIS 156 HA -0.21 0.01 0.20 -0.75 4.63 3.88 2js7A8 HIS 156 HB2 0.04 -0.01 0.10 -0.04 3.26 3.35 2js7A8 HIS 156 HB3 -0.01 0.21 0.12 -0.04 3.20 3.49 2js7A8 HIS 156 HD2 0.13 0.05 -0.41 -0.04 6.97 6.70 2js7A8 HIS 156 HE1 0.09 -0.04 -0.05 -0.04 7.75 7.70 2js7A8 HIS 157 H 0.00 0.14 0.11 -0.55 8.41 8.12 2js7A8 HIS 157 HA -0.06 0.05 0.51 -0.75 4.63 4.38 2js7A8 HIS 157 HB2 -0.14 0.00 0.12 -0.04 3.26 3.20 2js7A8 HIS 157 HB3 -0.18 0.02 -0.06 -0.04 3.20 2.95 2js7A8 HIS 157 HD2 -0.05 -0.03 0.03 -0.04 6.97 6.88 2js7A8 HIS 157 HE1 -0.01 0.11 0.00 -0.04 7.75 7.81 2js7A8 HIS 158 H 0.16 0.11 0.17 -0.55 8.41 8.31 2js7A8 HIS 158 HA 0.16 0.07 0.42 -0.75 4.63 4.53 2js7A8 HIS 158 HB2 0.07 0.01 0.15 -0.04 3.26 3.46 2js7A8 HIS 158 HB3 -0.01 -0.04 0.21 -0.04 3.20 3.31 2js7A8 HIS 158 HD2 0.12 -0.01 0.01 -0.04 6.97 7.04 2js7A8 HIS 158 HE1 0.11 -0.06 -0.04 -0.04 7.75 7.72 2js7A8 HIS 159 H 0.17 0.25 0.31 -0.55 8.41 8.59 2js7A8 HIS 159 HA -0.23 0.01 0.45 -0.75 4.63 4.11 2js7A8 HIS 159 HB2 -0.13 0.01 0.12 -0.04 3.26 3.22 2js7A8 HIS 159 HB3 -0.10 -0.07 0.03 -0.04 3.20 3.03 2js7A8 HIS 159 HD2 -0.05 -0.05 0.03 -0.04 6.97 6.86 2js7A8 HIS 159 HE1 0.01 -0.03 0.07 -0.04 7.75 7.76 2js7A8 HIS 160 H -0.12 0.09 0.09 -0.55 8.41 7.92 2js7A8 HIS 160 HA -0.07 0.20 0.50 -0.75 4.63 4.51 2js7A8 HIS 160 HB2 0.00 -0.00 0.10 -0.04 3.26 3.33 2js7A8 HIS 160 HB3 0.01 -0.01 0.07 -0.04 3.20 3.23 2js7A8 HIS 160 HD2 0.08 -0.00 -0.06 -0.04 6.97 6.94 2js7A8 HIS 160 HE1 0.03 -0.00 0.00 -0.04 7.75 7.74