============================================================================= 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 14.186 18.804 -4.164 -99.200 -91.000 PHE 17 1.000 8.486 10.438 -3.724 -99.200 -91.000 PHE 20 1.000 7.555 2.048 -3.179 -99.200 -91.000 TYR 23 0.840 0.848 -2.234 -8.938 -99.200 -91.000 PHE 30 1.000 -9.715 -5.435 -9.308 -99.200 -91.000 TYR 43 0.840 -9.939 14.786 2.881 -99.200 -91.000 TRP 61 1.040 9.574 11.573 -8.393 -99.200 -91.000 TRP6 61 1.020 11.874 11.691 -7.883 -99.200 -91.000 TYR 83 0.840 1.654 -7.479 -1.706 -99.200 -91.000 PHE 91 1.000 10.151 -2.745 -2.345 -99.200 -91.000 PHE 95 1.000 9.215 0.798 4.220 -99.200 -91.000 HIS 104 0.900 6.061 -4.155 11.120 -99.200 -91.000 TYR 113 0.840 -7.443 -2.776 -4.967 -99.200 -91.000 PHE 120 1.000 -4.345 -11.959 5.969 -99.200 -91.000 PHE 126 1.000 -6.188 -8.248 5.379 -99.200 -91.000 TYR 132 0.840 -13.037 -1.288 -5.449 -99.200 -91.000 TRP 140 1.040 -16.494 7.446 3.349 -99.200 -91.000 TRP6 140 1.020 -14.732 8.458 4.551 -99.200 -91.000 PHE 141 1.000 -11.607 1.289 -0.827 -99.200 -91.000 TRP 142 1.040 -12.003 5.192 -5.268 -99.200 -91.000 TRP6 142 1.020 -10.601 3.295 -5.220 -99.200 -91.000 HIS 155 0.900 3.435 12.390 12.594 -99.200 -91.000 HIS 156 0.900 -2.048 9.690 18.432 -99.200 -91.000 HIS 157 0.900 0.325 17.134 15.479 -99.200 -91.000 HIS 158 0.900 -6.560 13.194 13.356 -99.200 -91.000 HIS 159 0.900 -10.848 17.140 16.881 -99.200 -91.000 HIS 160 0.900 -8.127 12.986 22.165 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2js7A1 MET 1 HA 0.27 0.03 0.13 -0.75 4.52 4.20 2js7A1 MET 1 HB2 0.13 -0.13 0.11 -0.04 2.15 2.22 2js7A1 MET 1 HB3 0.11 0.04 0.07 -0.04 2.03 2.21 2js7A1 MET 1 HG2 0.06 0.02 -0.00 -0.04 2.63 2.67 2js7A1 MET 1 HG3 0.07 -0.04 -0.19 -0.04 2.56 2.36 2js7A1 MET 1 HE3 0.05 0.01 0.02 -0.04 2.10 2.14 2js7A1 GLY 2 H 0.14 0.06 0.02 -0.55 8.43 8.10 2js7A1 GLY 2 HA2 0.05 0.01 0.24 -0.51 4.01 3.79 2js7A1 GLY 2 HA3 0.06 0.01 0.38 -0.51 4.01 3.95 2js7A1 ILE 3 H 0.08 0.22 0.35 -0.55 8.25 8.35 2js7A1 ILE 3 HA 0.10 0.19 0.73 -0.75 4.18 4.44 2js7A1 ILE 3 HB 0.06 0.01 0.11 -0.04 1.89 2.02 2js7A1 ILE 3 HG12 0.05 -0.05 0.02 -0.04 1.49 1.46 2js7A1 ILE 3 HG13 0.05 0.05 -0.22 -0.04 1.21 1.06 2js7A1 ILE 3 HG23 0.03 -0.03 -0.20 -0.04 0.93 0.69 2js7A1 ILE 3 HD13 0.03 -0.01 -0.03 -0.04 0.88 0.83 2js7A1 THR 4 H 0.12 0.42 0.15 -0.55 8.28 8.42 2js7A1 THR 4 HA 0.07 -0.06 0.43 -0.75 4.39 4.08 2js7A1 THR 4 HB 0.09 0.17 0.11 -0.04 4.32 4.65 2js7A1 THR 4 HG23 0.04 0.03 0.05 -0.04 1.22 1.30 2js7A1 THR 5 H 0.06 0.04 0.20 -0.55 8.28 8.03 2js7A1 THR 5 HA 0.11 0.17 0.61 -0.75 4.39 4.52 2js7A1 THR 5 HB 0.04 -0.01 0.07 -0.04 4.32 4.38 2js7A1 THR 5 HG23 0.04 0.02 0.06 -0.04 1.22 1.30 2js7A1 LEU 6 H 0.03 0.18 0.08 -0.55 8.37 8.12 2js7A1 LEU 6 HA -0.03 0.01 0.26 -0.75 4.35 3.84 2js7A1 LEU 6 HB2 -0.01 -0.07 -0.14 -0.04 1.64 1.38 2js7A1 LEU 6 HB3 -0.01 0.30 0.34 -0.04 1.64 2.23 2js7A1 LEU 6 HG -0.04 -0.01 0.08 -0.04 1.64 1.63 2js7A1 LEU 6 HD13 -0.03 -0.01 0.04 -0.04 0.93 0.88 2js7A1 LEU 6 HD23 -0.02 -0.01 -0.01 -0.04 0.89 0.82 2js7A1 ASP 7 H -0.01 0.12 -0.66 -0.55 8.40 7.30 2js7A1 ASP 7 HA -0.23 0.05 0.62 -0.75 4.63 4.32 2js7A1 ASP 7 HB2 0.07 0.21 0.05 -0.04 2.71 3.01 2js7A1 ASP 7 HB3 -0.35 -0.08 -0.05 -0.04 2.70 2.19 2js7A1 ASP 8 H -0.38 0.23 0.00 -0.55 8.40 7.71 2js7A1 ASP 8 HA -0.93 0.14 0.38 -0.75 4.63 3.46 2js7A1 ASP 8 HB2 -0.09 -0.52 0.16 -0.04 2.71 2.21 2js7A1 ASP 8 HB3 -0.07 0.23 -0.02 -0.04 2.70 2.81 2js7A1 PRO 9 HA -0.17 0.09 0.36 -0.51 4.44 4.20 2js7A1 PRO 9 HB2 -0.11 0.05 -0.08 -0.04 2.28 2.09 2js7A1 PRO 9 HB3 -0.10 0.06 0.07 -0.04 2.02 2.02 2js7A1 PRO 9 HG2 -0.22 0.10 -0.04 -0.04 2.03 1.82 2js7A1 PRO 9 HG3 -0.25 0.05 0.06 -0.04 2.03 1.85 2js7A1 PRO 9 HD2 -1.76 0.14 0.02 -0.04 3.68 2.04 2js7A1 PRO 9 HD3 -1.03 0.09 0.01 -0.04 3.65 2.67 2js7A1 LEU 10 H -0.20 0.03 -0.52 -0.55 8.37 7.13 2js7A1 LEU 10 HA -0.04 0.22 0.67 -0.75 4.35 4.44 2js7A1 LEU 10 HB2 -0.03 -0.06 -0.05 -0.04 1.64 1.45 2js7A1 LEU 10 HB3 -0.03 0.06 0.09 -0.04 1.64 1.72 2js7A1 LEU 10 HG 0.01 0.04 -0.12 -0.04 1.64 1.52 2js7A1 LEU 10 HD13 0.12 -0.04 -0.20 -0.04 0.93 0.77 2js7A1 LEU 10 HD23 0.01 0.03 -0.01 -0.04 0.89 0.88 2js7A1 GLY 11 H -0.10 0.50 -0.36 -0.55 8.43 7.92 2js7A1 GLY 11 HA2 -0.03 0.03 0.26 -0.51 4.01 3.75 2js7A1 GLY 11 HA3 -0.02 0.09 0.39 -0.51 4.01 3.96 2js7A1 HIS 12 H -0.04 -0.05 -0.19 -0.55 8.41 7.58 2js7A1 HIS 12 HA -0.01 -0.06 0.29 -0.75 4.63 4.10 2js7A1 HIS 12 HB2 -0.04 -0.06 -0.13 -0.04 3.26 2.99 2js7A1 HIS 12 HB3 -0.02 0.17 0.03 -0.04 3.20 3.34 2js7A1 HIS 12 HD2 0.01 0.01 -0.15 -0.04 6.97 6.80 2js7A1 HIS 12 HE1 0.08 -0.01 -0.06 -0.04 7.75 7.72 2js7A1 MET 13 H -0.17 0.05 -0.02 -0.55 8.47 7.79 2js7A1 MET 13 HA -0.05 0.26 0.54 -0.75 4.52 4.51 2js7A1 MET 13 HB2 -0.16 -0.01 0.09 -0.04 2.15 2.03 2js7A1 MET 13 HB3 -0.09 -0.01 0.02 -0.04 2.03 1.91 2js7A1 MET 13 HG2 -0.05 0.14 -0.12 -0.04 2.63 2.55 2js7A1 MET 13 HG3 -0.08 -0.18 -0.18 -0.04 2.56 2.09 2js7A1 MET 13 HE3 -0.31 -0.01 -0.13 -0.04 2.10 1.60 2js7A1 PRO 14 HA -0.01 0.10 0.52 -0.51 4.44 4.54 2js7A1 PRO 14 HB2 0.01 0.04 0.00 -0.04 2.28 2.30 2js7A1 PRO 14 HB3 0.04 0.01 0.11 -0.04 2.02 2.15 2js7A1 PRO 14 HG2 0.00 0.02 0.07 -0.04 2.03 2.07 2js7A1 PRO 14 HG3 0.03 0.04 0.09 -0.04 2.03 2.15 2js7A1 PRO 14 HD2 -0.01 0.09 0.31 -0.04 3.68 4.03 2js7A1 PRO 14 HD3 0.05 0.29 0.22 -0.04 3.65 4.17 2js7A1 GLU 15 H -0.04 0.04 -0.29 -0.55 8.60 7.76 2js7A1 GLU 15 HA -0.02 0.06 0.41 -0.75 4.29 3.99 2js7A1 GLU 15 HB2 -0.06 0.04 -0.03 -0.04 2.09 2.00 2js7A1 GLU 15 HB3 -0.03 0.04 0.01 -0.04 1.99 1.97 2js7A1 GLU 15 HG2 -0.02 0.02 0.01 -0.04 2.34 2.30 2js7A1 GLU 15 HG3 -0.02 -0.10 0.04 -0.04 2.34 2.21 2js7A1 ARG 16 H -0.08 0.13 -0.54 -0.55 8.46 7.41 2js7A1 ARG 16 HA -0.10 -0.04 0.27 -0.75 4.34 3.72 2js7A1 ARG 16 HB2 0.04 0.25 0.15 -0.04 1.90 2.30 2js7A1 ARG 16 HB3 0.12 0.18 0.32 -0.04 1.80 2.37 2js7A1 ARG 16 HG2 0.05 -0.09 0.04 -0.04 1.67 1.62 2js7A1 ARG 16 HG3 0.01 0.04 -0.35 -0.04 1.67 1.34 2js7A1 ARG 16 HD2 0.05 -0.01 -0.09 -0.04 3.22 3.12 2js7A1 ARG 16 HD3 0.07 0.21 0.01 -0.04 3.22 3.47 2js7A1 PHE 17 H 0.29 0.53 0.22 -0.55 8.34 8.83 2js7A1 PHE 17 HA 0.02 0.14 0.73 -0.75 4.62 4.75 2js7A1 PHE 17 HB2 -0.01 0.04 -0.27 -0.04 3.15 2.87 2js7A1 PHE 17 HB3 -0.01 -0.09 -0.11 -0.04 3.06 2.81 2js7A1 PHE 17 HD2 -0.06 0.08 -0.22 -0.04 7.28 7.03 2js7A1 PHE 17 HE2 -0.29 -0.03 -0.07 -0.04 7.38 6.95 2js7A1 PHE 17 HZ -1.72 -0.02 -0.14 -0.04 7.32 5.40 2js7A1 ASP 18 H 0.11 0.58 0.33 -0.55 8.40 8.88 2js7A1 ASP 18 HA 0.06 0.17 0.60 -0.75 4.63 4.71 2js7A1 ASP 18 HB2 0.03 0.05 0.11 -0.04 2.71 2.86 2js7A1 ASP 18 HB3 0.06 -0.17 0.10 -0.04 2.70 2.66 2js7A1 ALA 19 H 0.11 0.15 0.14 -0.55 8.40 8.25 2js7A1 ALA 19 HA 0.10 0.34 0.80 -0.75 4.34 4.83 2js7A1 ALA 19 HB3 0.07 -0.00 -0.22 -0.04 1.41 1.21 2js7A1 PHE 20 H 0.16 0.79 0.30 -0.55 8.34 9.04 2js7A1 PHE 20 HA -0.06 0.18 0.95 -0.75 4.62 4.94 2js7A1 PHE 20 HB2 -0.18 0.08 -0.01 -0.04 3.15 3.00 2js7A1 PHE 20 HB3 -0.15 0.01 0.15 -0.04 3.06 3.03 2js7A1 PHE 20 HD2 -0.11 -0.01 -0.31 -0.04 7.28 6.81 2js7A1 PHE 20 HE2 -0.09 -0.04 -0.19 -0.04 7.38 7.02 2js7A1 PHE 20 HZ -0.19 -0.05 -0.20 -0.04 7.32 6.84 2js7A1 ILE 21 H -0.41 0.82 0.40 -0.55 8.25 8.51 2js7A1 ILE 21 HA 0.06 0.17 0.83 -0.75 4.18 4.48 2js7A1 ILE 21 HB -0.09 -0.04 0.14 -0.04 1.89 1.86 2js7A1 ILE 21 HG12 0.01 0.01 -0.09 -0.04 1.49 1.37 2js7A1 ILE 21 HG13 -0.06 0.10 -0.04 -0.04 1.21 1.16 2js7A1 ILE 21 HG23 0.08 -0.02 -0.15 -0.04 0.93 0.80 2js7A1 ILE 21 HD13 -0.04 -0.01 -0.09 -0.04 0.88 0.70 2js7A1 CYS 22 H 0.18 0.71 0.34 -0.55 8.50 9.18 2js7A1 CYS 22 HA 0.15 0.03 0.93 -0.75 4.58 4.94 2js7A1 CYS 22 HB2 0.47 0.07 -0.07 -0.04 2.97 3.41 2js7A1 CYS 22 HB3 0.41 0.02 0.12 -0.04 2.97 3.47 2js7A1 TYR 23 H -0.05 0.19 0.17 -0.55 8.29 8.06 2js7A1 TYR 23 HA 0.09 0.22 0.96 -0.75 4.56 5.07 2js7A1 TYR 23 HB2 0.11 -0.05 0.04 -0.04 3.06 3.11 2js7A1 TYR 23 HB3 0.07 0.08 -0.23 -0.04 2.98 2.86 2js7A1 TYR 23 HD2 0.03 0.05 -0.29 -0.04 7.15 6.90 2js7A1 TYR 23 HE2 -0.03 0.02 -0.08 -0.04 6.85 6.72 2js7A1 CYS 24 H 0.32 0.16 0.13 -0.55 8.50 8.57 2js7A1 CYS 24 HA 0.11 0.25 0.66 -0.75 4.58 4.84 2js7A1 CYS 24 HB2 0.15 -0.04 -0.05 -0.04 2.97 2.99 2js7A1 CYS 24 HB3 0.28 0.04 -0.00 -0.04 2.97 3.25 2js7A1 PRO 25 HA 0.11 0.11 0.37 -0.51 4.44 4.52 2js7A1 PRO 25 HB2 0.03 0.06 0.01 -0.04 2.28 2.33 2js7A1 PRO 25 HB3 0.01 0.10 0.11 -0.04 2.02 2.20 2js7A1 PRO 25 HG2 -0.02 0.08 0.10 -0.04 2.03 2.16 2js7A1 PRO 25 HG3 -0.07 0.10 0.11 -0.04 2.03 2.13 2js7A1 PRO 25 HD2 0.03 0.07 0.20 -0.04 3.68 3.94 2js7A1 PRO 25 HD3 -0.03 0.24 0.31 -0.04 3.65 4.13 2js7A1 SER 26 H 0.09 0.06 -0.29 -0.55 8.46 7.78 2js7A1 SER 26 HA 0.07 0.19 0.44 -0.75 4.49 4.44 2js7A1 SER 26 HB2 0.10 -0.14 0.01 -0.04 3.95 3.88 2js7A1 SER 26 HB3 0.08 0.08 0.07 -0.04 3.93 4.12 2js7A1 ASP 27 H 0.18 0.24 -0.39 -0.55 8.40 7.88 2js7A1 ASP 27 HA 0.26 0.26 0.83 -0.75 4.63 5.23 2js7A1 ASP 27 HB2 0.23 -0.03 0.06 -0.04 2.71 2.94 2js7A1 ASP 27 HB3 0.33 0.01 0.16 -0.04 2.70 3.15 2js7A1 ILE 28 H 0.13 0.36 -0.32 -0.55 8.25 7.87 2js7A1 ILE 28 HA 0.12 0.04 0.26 -0.75 4.18 3.85 2js7A1 ILE 28 HB 0.23 0.02 0.12 -0.04 1.89 2.22 2js7A1 ILE 28 HG12 -0.03 -0.03 -0.21 -0.04 1.49 1.18 2js7A1 ILE 28 HG13 0.17 -0.02 -0.00 -0.04 1.21 1.32 2js7A1 ILE 28 HG23 0.03 0.05 0.02 -0.04 0.93 0.99 2js7A1 ILE 28 HD13 0.09 0.01 -0.02 -0.04 0.88 0.92 2js7A1 GLN 29 H -0.08 0.16 -0.26 -0.55 8.47 7.74 2js7A1 GLN 29 HA -0.18 0.08 0.29 -0.75 4.36 3.80 2js7A1 GLN 29 HB2 -0.48 -0.01 0.02 -0.04 2.15 1.63 2js7A1 GLN 29 HB3 -0.33 0.08 -0.01 -0.04 2.02 1.71 2js7A1 GLN 29 HG2 -0.12 -0.05 0.03 -0.04 2.40 2.22 2js7A1 GLN 29 HG3 -0.17 0.07 0.01 -0.04 2.39 2.26 2js7A1 GLN 29 HE21 -0.09 0.03 -0.01 -0.04 6.97 6.86 2js7A1 GLN 29 HE22 -0.12 0.03 -0.00 -0.04 7.69 7.56 2js7A1 PHE 30 H -0.26 0.21 -0.32 -0.55 8.34 7.42 2js7A1 PHE 30 HA -0.34 0.12 0.43 -0.75 4.62 4.08 2js7A1 PHE 30 HB2 -0.84 0.08 0.08 -0.04 3.15 2.43 2js7A1 PHE 30 HB3 -1.39 0.01 0.02 -0.04 3.06 1.66 2js7A1 PHE 30 HD2 -0.11 0.07 0.04 -0.04 7.28 7.24 2js7A1 PHE 30 HE2 0.08 0.04 0.00 -0.04 7.38 7.45 2js7A1 PHE 30 HZ 0.05 0.04 -0.01 -0.04 7.32 7.35 2js7A1 VAL 31 H -0.22 0.26 -0.18 -0.55 8.24 7.54 2js7A1 VAL 31 HA -0.15 0.05 0.41 -0.75 4.13 3.69 2js7A1 VAL 31 HB -0.58 0.12 0.10 -0.04 2.12 1.72 2js7A1 VAL 31 HG13 -0.64 0.00 -0.13 -0.04 0.97 0.16 2js7A1 VAL 31 HG23 -0.04 0.00 -0.02 -0.04 0.95 0.85 2js7A1 GLN 32 H -0.25 0.60 -0.05 -0.55 8.47 8.23 2js7A1 GLN 32 HA -0.20 0.03 0.43 -0.75 4.36 3.87 2js7A1 GLN 32 HB2 -0.17 0.11 0.09 -0.04 2.15 2.14 2js7A1 GLN 32 HB3 -0.13 0.02 0.03 -0.04 2.02 1.90 2js7A1 GLN 32 HG2 -0.13 -0.04 0.03 -0.04 2.40 2.22 2js7A1 GLN 32 HG3 -0.15 0.18 -0.05 -0.04 2.39 2.33 2js7A1 GLN 32 HE21 -0.03 -0.09 0.01 -0.04 6.97 6.82 2js7A1 GLN 32 HE22 -0.03 0.06 -0.04 -0.04 7.69 7.64 2js7A1 GLU 33 H -0.24 0.38 -0.32 -0.55 8.60 7.88 2js7A1 GLU 33 HA -0.24 0.05 0.48 -0.75 4.29 3.83 2js7A1 GLU 33 HB2 -0.19 0.05 0.13 -0.04 2.09 2.04 2js7A1 GLU 33 HB3 -0.23 0.13 0.15 -0.04 1.99 2.00 2js7A1 GLU 33 HG2 -0.01 -0.01 -0.02 -0.04 2.34 2.27 2js7A1 GLU 33 HG3 -0.29 -0.02 -0.12 -0.04 2.34 1.86 2js7A1 MET 34 H -0.32 0.43 -0.18 -0.55 8.47 7.85 2js7A1 MET 34 HA -1.45 0.01 0.27 -0.75 4.52 2.59 2js7A1 MET 34 HB2 0.12 0.02 0.09 -0.04 2.15 2.34 2js7A1 MET 34 HB3 -0.10 0.09 0.21 -0.04 2.03 2.20 2js7A1 MET 34 HG2 0.00 0.03 -0.32 -0.04 2.63 2.29 2js7A1 MET 34 HG3 0.41 -0.02 -0.08 -0.04 2.56 2.83 2js7A1 MET 34 HE3 0.05 -0.01 -0.05 -0.04 2.10 2.05 2js7A1 ILE 35 H -0.23 0.56 -0.07 -0.55 8.25 7.95 2js7A1 ILE 35 HA -0.12 0.01 0.21 -0.75 4.18 3.52 2js7A1 ILE 35 HB -0.15 0.08 0.05 -0.04 1.89 1.83 2js7A1 ILE 35 HG12 -0.10 -0.04 -0.04 -0.04 1.49 1.27 2js7A1 ILE 35 HG13 -0.17 0.23 0.06 -0.04 1.21 1.30 2js7A1 ILE 35 HG23 -0.07 -0.00 -0.14 -0.04 0.93 0.67 2js7A1 ILE 35 HD13 -0.13 -0.02 -0.13 -0.04 0.88 0.56 2js7A1 ARG 36 H -0.23 0.31 -0.31 -0.55 8.46 7.68 2js7A1 ARG 36 HA -0.13 0.04 0.55 -0.75 4.34 4.05 2js7A1 ARG 36 HB2 -0.12 -0.02 0.07 -0.04 1.90 1.79 2js7A1 ARG 36 HB3 -0.13 0.03 0.13 -0.04 1.80 1.79 2js7A1 ARG 36 HG2 -0.23 0.18 0.19 -0.04 1.67 1.76 2js7A1 ARG 36 HG3 -0.22 0.02 -0.03 -0.04 1.67 1.39 2js7A1 ARG 36 HD2 -0.11 -0.03 0.00 -0.04 3.22 3.04 2js7A1 ARG 36 HD3 -0.12 0.01 0.04 -0.04 3.22 3.11 2js7A1 GLN 37 H -0.47 0.57 -0.05 -0.55 8.47 7.98 2js7A1 GLN 37 HA -0.28 0.04 0.44 -0.75 4.36 3.81 2js7A1 GLN 37 HB2 -1.45 0.13 0.07 -0.04 2.15 0.86 2js7A1 GLN 37 HB3 -1.41 -0.09 0.05 -0.04 2.02 0.53 2js7A1 GLN 37 HG2 -0.21 -0.01 0.02 -0.04 2.40 2.16 2js7A1 GLN 37 HG3 -0.35 0.05 0.05 -0.04 2.39 2.10 2js7A1 GLN 37 HE21 0.03 0.01 -0.01 -0.04 6.97 6.96 2js7A1 GLN 37 HE22 0.20 -0.02 -0.01 -0.04 7.69 7.82 2js7A1 LEU 38 H -0.32 0.46 -0.43 -0.55 8.37 7.54 2js7A1 LEU 38 HA 0.05 0.09 0.56 -0.75 4.35 4.30 2js7A1 LEU 38 HB2 -0.07 0.15 0.11 -0.04 1.64 1.78 2js7A1 LEU 38 HB3 0.01 -0.04 -0.07 -0.04 1.64 1.49 2js7A1 LEU 38 HG -0.10 0.25 -0.16 -0.04 1.64 1.58 2js7A1 LEU 38 HD13 0.02 -0.03 -0.14 -0.04 0.93 0.74 2js7A1 LEU 38 HD23 0.25 -0.04 -0.02 -0.04 0.89 1.04 2js7A1 GLU 39 H -0.08 0.37 -0.02 -0.55 8.60 8.32 2js7A1 GLU 39 HA -0.02 -0.04 0.24 -0.75 4.29 3.71 2js7A1 GLU 39 HB2 -0.06 0.08 0.17 -0.04 2.09 2.24 2js7A1 GLU 39 HB3 -0.03 0.00 0.05 -0.04 1.99 1.98 2js7A1 GLU 39 HG2 -0.03 -0.01 0.07 -0.04 2.34 2.33 2js7A1 GLU 39 HG3 -0.03 -0.03 0.06 -0.04 2.34 2.30 2js7A1 GLN 40 H -0.07 0.35 -0.43 -0.55 8.47 7.77 2js7A1 GLN 40 HA -0.03 0.04 0.44 -0.75 4.36 4.07 2js7A1 GLN 40 HB2 -0.02 -0.06 0.09 -0.04 2.15 2.12 2js7A1 GLN 40 HB3 -0.06 0.05 0.07 -0.04 2.02 2.04 2js7A1 GLN 40 HG2 -0.08 0.09 -0.02 -0.04 2.40 2.35 2js7A1 GLN 40 HG3 0.01 0.00 -0.28 -0.04 2.39 2.08 2js7A1 GLN 40 HE21 -0.09 0.08 -0.12 -0.04 6.97 6.80 2js7A1 GLN 40 HE22 -0.08 -0.06 -0.07 -0.04 7.69 7.44 2js7A1 THR 41 H -0.01 0.43 -0.60 -0.55 8.28 7.55 2js7A1 THR 41 HA -0.01 0.08 0.57 -0.75 4.39 4.28 2js7A1 THR 41 HB 0.06 0.06 -0.06 -0.04 4.32 4.35 2js7A1 THR 41 HG23 0.18 -0.03 0.05 -0.04 1.22 1.38 2js7A1 ASN 42 H -0.07 0.28 0.07 -0.55 8.53 8.25 2js7A1 ASN 42 HA -0.29 0.10 0.63 -0.75 4.76 4.45 2js7A1 ASN 42 HB2 -0.02 -0.10 0.03 -0.04 2.88 2.74 2js7A1 ASN 42 HB3 -0.01 0.30 -0.31 -0.04 2.79 2.72 2js7A1 ASN 42 HD21 0.02 0.04 -0.27 -0.04 7.03 6.78 2js7A1 ASN 42 HD22 0.00 -0.10 -0.11 -0.04 7.74 7.49 2js7A1 TYR 43 H -0.10 0.19 0.02 -0.55 8.29 7.85 2js7A1 TYR 43 HA 0.02 0.14 0.62 -0.75 4.56 4.59 2js7A1 TYR 43 HB2 0.02 0.09 0.09 -0.04 3.06 3.22 2js7A1 TYR 43 HB3 0.01 0.02 0.18 -0.04 2.98 3.15 2js7A1 TYR 43 HD2 0.04 0.05 -0.10 -0.04 7.15 7.10 2js7A1 TYR 43 HE2 0.09 0.03 -0.02 -0.04 6.85 6.90 2js7A1 ARG 44 H 0.02 0.04 -0.80 -0.55 8.46 7.17 2js7A1 ARG 44 HA 0.02 -0.05 0.33 -0.75 4.34 3.88 2js7A1 ARG 44 HB2 0.05 0.30 0.17 -0.04 1.90 2.37 2js7A1 ARG 44 HB3 0.02 0.01 0.03 -0.04 1.80 1.83 2js7A1 ARG 44 HG2 0.03 -0.01 -0.13 -0.04 1.67 1.51 2js7A1 ARG 44 HG3 0.02 -0.01 -0.04 -0.04 1.67 1.61 2js7A1 ARG 44 HD2 0.01 0.02 0.03 -0.04 3.22 3.23 2js7A1 ARG 44 HD3 0.01 -0.04 0.08 -0.04 3.22 3.23 2js7A1 LEU 45 H 0.02 0.11 0.11 -0.55 8.37 8.06 2js7A1 LEU 45 HA 0.03 0.30 0.80 -0.75 4.35 4.72 2js7A1 LEU 45 HB2 0.02 -0.05 -0.06 -0.04 1.64 1.51 2js7A1 LEU 45 HB3 0.03 -0.08 0.02 -0.04 1.64 1.57 2js7A1 LEU 45 HG 0.05 -0.12 -0.44 -0.04 1.64 1.09 2js7A1 LEU 45 HD13 0.04 -0.03 -0.09 -0.04 0.93 0.81 2js7A1 LEU 45 HD23 0.06 0.12 -0.07 -0.04 0.89 0.96 2js7A1 LYS 46 H 0.03 0.16 0.03 -0.55 8.42 8.09 2js7A1 LYS 46 HA 0.03 0.07 0.53 -0.75 4.32 4.20 2js7A1 LYS 46 HB2 -0.03 0.02 0.08 -0.04 1.87 1.90 2js7A1 LYS 46 HB3 -0.01 0.13 0.06 -0.04 1.79 1.94 2js7A1 LYS 46 HG2 -0.00 -0.08 -0.14 -0.04 1.46 1.20 2js7A1 LYS 46 HG3 -0.03 -0.02 0.16 -0.04 1.46 1.54 2js7A1 LYS 46 HD2 -0.04 0.05 -0.06 -0.04 1.69 1.59 2js7A1 LYS 46 HD3 -0.09 -0.00 -0.03 -0.04 1.68 1.52 2js7A1 LYS 46 HE2 -0.02 0.01 -0.08 -0.04 2.99 2.87 2js7A1 LYS 46 HE3 -0.01 0.01 -0.17 -0.04 2.99 2.79 2js7A1 LEU 47 H 0.07 0.20 0.14 -0.55 8.37 8.23 2js7A1 LEU 47 HA 0.15 0.12 0.96 -0.75 4.35 4.83 2js7A1 LEU 47 HB2 0.02 -0.03 -0.00 -0.04 1.64 1.58 2js7A1 LEU 47 HB3 0.02 0.15 0.21 -0.04 1.64 1.97 2js7A1 LEU 47 HG 0.03 -0.07 -0.12 -0.04 1.64 1.43 2js7A1 LEU 47 HD13 0.01 -0.00 -0.10 -0.04 0.93 0.80 2js7A1 LEU 47 HD23 0.06 0.05 -0.16 -0.04 0.89 0.79 2js7A1 CYS 48 H -0.03 0.51 0.41 -0.55 8.50 8.84 2js7A1 CYS 48 HA -0.07 0.09 0.59 -0.75 4.58 4.44 2js7A1 CYS 48 HB2 -0.41 0.08 0.15 -0.04 2.97 2.75 2js7A1 CYS 48 HB3 -0.39 0.09 -0.02 -0.04 2.97 2.60 2js7A1 VAL 49 H -0.29 0.27 0.11 -0.55 8.24 7.78 2js7A1 VAL 49 HA -0.69 0.25 0.99 -0.75 4.13 3.92 2js7A1 VAL 49 HB -0.02 -0.09 -0.01 -0.04 2.12 1.96 2js7A1 VAL 49 HG13 -0.09 -0.01 -0.26 -0.04 0.97 0.57 2js7A1 VAL 49 HG23 -0.06 0.00 -0.38 -0.04 0.95 0.47 2js7A1 SER 50 H -0.33 0.34 0.22 -0.55 8.46 8.14 2js7A1 SER 50 HA 0.09 0.13 0.51 -0.75 4.49 4.47 2js7A1 SER 50 HB2 -0.03 0.07 0.14 -0.04 3.95 4.08 2js7A1 SER 50 HB3 -0.19 -0.11 0.20 -0.04 3.93 3.80 2js7A1 ASP 51 H -0.13 0.09 0.02 -0.55 8.40 7.82 2js7A1 ASP 51 HA -0.06 0.20 0.94 -0.75 4.63 4.96 2js7A1 ASP 51 HB2 -0.05 -0.02 0.04 -0.04 2.71 2.63 2js7A1 ASP 51 HB3 -0.11 0.05 0.01 -0.04 2.70 2.60 2js7A1 ARG 52 H -0.02 0.22 0.03 -0.55 8.46 8.14 2js7A1 ARG 52 HA 0.02 0.20 0.65 -0.75 4.34 4.45 2js7A1 ARG 52 HB2 0.02 0.17 0.02 -0.04 1.90 2.07 2js7A1 ARG 52 HB3 -0.02 -0.03 -0.22 -0.04 1.80 1.49 2js7A1 ARG 52 HG2 0.01 -0.10 -0.04 -0.04 1.67 1.50 2js7A1 ARG 52 HG3 0.04 0.08 -0.14 -0.04 1.67 1.61 2js7A1 ARG 52 HD2 0.06 -0.06 -0.03 -0.04 3.22 3.14 2js7A1 ARG 52 HD3 0.07 0.01 -0.23 -0.04 3.22 3.02 2js7A1 ASP 53 H 0.00 -0.05 -0.07 -0.55 8.40 7.74 2js7A1 ASP 53 HA 0.01 0.14 0.51 -0.75 4.63 4.54 2js7A1 ASP 53 HB2 0.00 -0.07 0.01 -0.04 2.71 2.61 2js7A1 ASP 53 HB3 0.00 0.05 0.08 -0.04 2.70 2.79 2js7A1 VAL 54 H 0.02 -0.09 -0.47 -0.55 8.24 7.15 2js7A1 VAL 54 HA 0.01 0.21 0.68 -0.75 4.13 4.28 2js7A1 VAL 54 HB 0.02 -0.19 0.13 -0.04 2.12 2.04 2js7A1 VAL 54 HG13 0.02 -0.01 -0.10 -0.04 0.97 0.85 2js7A1 VAL 54 HG23 0.09 -0.01 -0.11 -0.04 0.95 0.88 2js7A1 LEU 55 H -0.01 -0.02 -0.00 -0.55 8.37 7.79 2js7A1 LEU 55 HA -0.06 -0.05 0.29 -0.75 4.35 3.78 2js7A1 LEU 55 HB2 -0.01 0.40 -0.04 -0.04 1.64 1.95 2js7A1 LEU 55 HB3 -0.06 0.01 -0.15 -0.04 1.64 1.40 2js7A1 LEU 55 HG 0.04 -0.14 -0.43 -0.04 1.64 1.07 2js7A1 LEU 55 HD13 -0.01 0.01 -0.16 -0.04 0.93 0.73 2js7A1 LEU 55 HD23 -0.16 -0.03 -0.11 -0.04 0.89 0.56 2js7A1 PRO 56 HA -0.04 0.10 0.51 -0.51 4.44 4.49 2js7A1 PRO 56 HB2 -0.06 0.04 0.10 -0.04 2.28 2.32 2js7A1 PRO 56 HB3 -0.06 0.00 0.06 -0.04 2.02 1.98 2js7A1 PRO 56 HG2 -0.09 0.05 0.17 -0.04 2.03 2.11 2js7A1 PRO 56 HG3 -0.10 0.02 0.03 -0.04 2.03 1.94 2js7A1 PRO 56 HD2 -0.10 0.11 0.13 -0.04 3.68 3.78 2js7A1 PRO 56 HD3 -0.09 0.00 0.14 -0.04 3.65 3.66 2js7A1 GLY 57 H -0.02 0.27 0.12 -0.55 8.43 8.25 2js7A1 GLY 57 HA2 -0.01 0.05 0.34 -0.51 4.01 3.88 2js7A1 GLY 57 HA3 -0.02 -0.01 0.46 -0.51 4.01 3.93 2js7A1 THR 58 H -0.03 0.26 0.21 -0.55 8.28 8.17 2js7A1 THR 58 HA -0.03 -0.06 0.30 -0.75 4.39 3.84 2js7A1 THR 58 HB -0.03 -0.05 -0.17 -0.04 4.32 4.03 2js7A1 THR 58 HG23 -0.07 -0.01 -0.24 -0.04 1.22 0.85 2js7A1 CYS 59 H 0.00 0.08 0.01 -0.55 8.50 8.05 2js7A1 CYS 59 HA 0.05 0.12 0.40 -0.75 4.58 4.40 2js7A1 CYS 59 HB2 0.02 -0.01 0.09 -0.04 2.97 3.02 2js7A1 CYS 59 HB3 0.03 -0.03 0.20 -0.04 2.97 3.14 2js7A1 VAL 60 H 0.10 0.64 0.42 -0.55 8.24 8.85 2js7A1 VAL 60 HA 0.26 0.23 0.74 -0.75 4.13 4.61 2js7A1 VAL 60 HB 0.03 -0.13 0.12 -0.04 2.12 2.10 2js7A1 VAL 60 HG13 0.03 0.01 -0.48 -0.04 0.97 0.49 2js7A1 VAL 60 HG23 0.03 0.04 -0.16 -0.04 0.95 0.82 2js7A1 TRP 61 H 0.20 0.26 0.21 -0.55 7.97 8.09 2js7A1 TRP 61 HA 0.04 0.14 0.53 -0.75 4.62 4.58 2js7A1 TRP 61 HB2 0.07 -0.07 0.15 -0.04 3.23 3.34 2js7A1 TRP 61 HB3 0.07 0.10 -0.06 -0.04 3.23 3.30 2js7A1 TRP 61 HD1 0.17 -0.02 -0.20 -0.04 7.22 7.13 2js7A1 TRP 61 HE1 -0.03 -0.00 -0.11 -0.04 10.20 10.02 2js7A1 TRP 61 HE3 0.09 -0.11 -0.05 -0.04 7.59 7.48 2js7A1 TRP 61 HZ2 0.13 -0.05 -0.04 -0.04 7.44 7.43 2js7A1 TRP 61 HZ3 0.09 0.04 -0.11 -0.04 7.13 7.11 2js7A1 TRP 61 HH2 0.14 -0.01 -0.03 -0.04 7.19 7.26 2js7A1 SER 62 H 0.33 0.10 0.16 -0.55 8.46 8.50 2js7A1 SER 62 HA -0.09 0.09 0.45 -0.75 4.49 4.18 2js7A1 SER 62 HB2 0.03 0.08 0.12 -0.04 3.95 4.14 2js7A1 SER 62 HB3 0.05 0.02 0.14 -0.04 3.93 4.10 2js7A1 ILE 63 H -0.16 0.13 0.23 -0.55 8.25 7.90 2js7A1 ILE 63 HA -0.24 0.38 0.79 -0.75 4.18 4.35 2js7A1 ILE 63 HB -0.31 -0.08 0.09 -0.04 1.89 1.55 2js7A1 ILE 63 HG12 -0.24 -0.02 -0.05 -0.04 1.49 1.15 2js7A1 ILE 63 HG13 -0.16 -0.04 -0.37 -0.04 1.21 0.59 2js7A1 ILE 63 HG23 -1.05 0.04 -0.23 -0.04 0.93 -0.35 2js7A1 ILE 63 HD13 -0.39 0.01 -0.15 -0.04 0.88 0.31 2js7A1 ALA 64 H -0.11 0.20 0.10 -0.55 8.40 8.04 2js7A1 ALA 64 HA -0.03 0.12 0.70 -0.75 4.34 4.39 2js7A1 ALA 64 HB3 -0.02 0.02 0.04 -0.04 1.41 1.42 2js7A1 SER 65 H -0.00 0.22 0.18 -0.55 8.46 8.31 2js7A1 SER 65 HA -0.03 0.12 0.40 -0.75 4.49 4.23 2js7A1 SER 65 HB2 0.17 0.04 0.13 -0.04 3.95 4.25 2js7A1 SER 65 HB3 0.06 -0.02 0.11 -0.04 3.93 4.04 2js7A1 GLU 66 H -0.01 0.07 -0.16 -0.55 8.60 7.95 2js7A1 GLU 66 HA -0.02 0.16 0.48 -0.75 4.29 4.15 2js7A1 GLU 66 HB2 -0.00 0.08 0.09 -0.04 2.09 2.22 2js7A1 GLU 66 HB3 -0.00 -0.01 0.07 -0.04 1.99 2.00 2js7A1 GLU 66 HG2 -0.00 -0.16 -0.02 -0.04 2.34 2.11 2js7A1 GLU 66 HG3 -0.00 0.09 -0.25 -0.04 2.34 2.13 2js7A1 LEU 67 H -0.06 0.27 -0.76 -0.55 8.37 7.27 2js7A1 LEU 67 HA -0.01 0.21 0.81 -0.75 4.35 4.61 2js7A1 LEU 67 HB2 -0.05 0.00 0.04 -0.04 1.64 1.59 2js7A1 LEU 67 HB3 -0.01 0.04 0.09 -0.04 1.64 1.71 2js7A1 LEU 67 HG -0.01 -0.16 -0.25 -0.04 1.64 1.19 2js7A1 LEU 67 HD13 0.02 0.01 -0.02 -0.04 0.93 0.90 2js7A1 LEU 67 HD23 0.01 0.07 -0.10 -0.04 0.89 0.83 2js7A1 ILE 68 H -0.12 0.29 -0.19 -0.55 8.25 7.68 2js7A1 ILE 68 HA -0.30 0.02 0.34 -0.75 4.18 3.49 2js7A1 ILE 68 HB -0.44 0.03 0.05 -0.04 1.89 1.49 2js7A1 ILE 68 HG12 -0.28 0.13 0.22 -0.04 1.49 1.53 2js7A1 ILE 68 HG13 -0.62 -0.04 0.03 -0.04 1.21 0.54 2js7A1 ILE 68 HG23 -1.15 0.01 -0.13 -0.04 0.93 -0.37 2js7A1 ILE 68 HD13 -0.70 -0.02 -0.16 -0.04 0.88 -0.05 2js7A1 GLU 69 H 0.11 0.07 -0.28 -0.55 8.60 7.96 2js7A1 GLU 69 HA 0.33 0.25 0.41 -0.75 4.29 4.52 2js7A1 GLU 69 HB2 0.22 -0.03 0.02 -0.04 2.09 2.25 2js7A1 GLU 69 HB3 0.08 -0.03 -0.03 -0.04 1.99 1.98 2js7A1 GLU 69 HG2 0.07 0.06 0.00 -0.04 2.34 2.43 2js7A1 GLU 69 HG3 -0.01 0.02 -0.06 -0.04 2.34 2.25 2js7A1 LYS 70 H 0.04 -0.04 -0.37 -0.55 8.42 7.50 2js7A1 LYS 70 HA 0.05 0.11 0.33 -0.75 4.32 4.06 2js7A1 LYS 70 HB2 0.03 0.00 0.03 -0.04 1.87 1.89 2js7A1 LYS 70 HB3 0.04 -0.01 0.08 -0.04 1.79 1.86 2js7A1 LYS 70 HG2 0.03 -0.07 0.06 -0.04 1.46 1.43 2js7A1 LYS 70 HG3 0.03 -0.02 0.03 -0.04 1.46 1.45 2js7A1 LYS 70 HD2 0.03 0.01 -0.02 -0.04 1.69 1.67 2js7A1 LYS 70 HD3 0.04 0.04 -0.22 -0.04 1.68 1.49 2js7A1 LYS 70 HE2 0.02 -0.00 -0.02 -0.04 2.99 2.95 2js7A1 LYS 70 HE3 0.02 -0.03 -0.00 -0.04 2.99 2.93 2js7A1 ARG 71 H 0.01 0.23 -0.41 -0.55 8.46 7.73 2js7A1 ARG 71 HA 0.13 0.10 0.82 -0.75 4.34 4.64 2js7A1 ARG 71 HB2 -0.12 0.12 0.05 -0.04 1.90 1.91 2js7A1 ARG 71 HB3 -0.19 -0.07 -0.09 -0.04 1.80 1.42 2js7A1 ARG 71 HG2 -0.23 -0.12 -0.04 -0.04 1.67 1.23 2js7A1 ARG 71 HG3 0.14 -0.01 0.01 -0.04 1.67 1.77 2js7A1 ARG 71 HD2 -0.02 0.05 -0.09 -0.04 3.22 3.12 2js7A1 ARG 71 HD3 0.01 -0.07 -0.04 -0.04 3.22 3.08 2js7A1 CYS 72 H 0.00 0.56 0.07 -0.55 8.50 8.59 2js7A1 CYS 72 HA 0.16 0.37 0.71 -0.75 4.58 5.06 2js7A1 CYS 72 HB2 -0.03 0.07 -0.00 -0.04 2.97 2.97 2js7A1 CYS 72 HB3 0.10 -0.07 -0.28 -0.04 2.97 2.68 2js7A1 ARG 73 H 0.11 0.49 0.23 -0.55 8.46 8.73 2js7A1 ARG 73 HA 0.10 0.03 0.52 -0.75 4.34 4.23 2js7A1 ARG 73 HB2 0.06 0.22 0.31 -0.04 1.90 2.45 2js7A1 ARG 73 HB3 0.05 -0.14 0.12 -0.04 1.80 1.79 2js7A1 ARG 73 HG2 0.04 -0.05 0.07 -0.04 1.67 1.69 2js7A1 ARG 73 HG3 0.06 0.25 0.25 -0.04 1.67 2.19 2js7A1 ARG 73 HD2 0.01 -0.02 0.09 -0.04 3.22 3.25 2js7A1 ARG 73 HD3 -0.04 -0.12 0.05 -0.04 3.22 3.07 2js7A1 ARG 74 H 0.11 0.35 0.19 -0.55 8.46 8.55 2js7A1 ARG 74 HA 0.16 0.29 0.95 -0.75 4.34 4.99 2js7A1 ARG 74 HB2 0.08 0.04 -0.04 -0.04 1.90 1.93 2js7A1 ARG 74 HB3 0.08 -0.11 0.05 -0.04 1.80 1.77 2js7A1 ARG 74 HG2 0.09 -0.13 0.01 -0.04 1.67 1.61 2js7A1 ARG 74 HG3 0.08 0.12 0.01 -0.04 1.67 1.84 2js7A1 ARG 74 HD2 0.05 -0.17 -0.14 -0.04 3.22 2.92 2js7A1 ARG 74 HD3 0.03 -0.06 -0.12 -0.04 3.22 3.03 2js7A1 MET 75 H 0.17 0.78 0.39 -0.55 8.47 9.26 2js7A1 MET 75 HA 0.15 0.01 0.90 -0.75 4.52 4.83 2js7A1 MET 75 HB2 0.03 0.03 -0.00 -0.04 2.15 2.17 2js7A1 MET 75 HB3 0.27 0.05 0.13 -0.04 2.03 2.44 2js7A1 MET 75 HG2 0.22 -0.12 -0.36 -0.04 2.63 2.32 2js7A1 MET 75 HG3 0.28 0.20 0.02 -0.04 2.56 3.03 2js7A1 MET 75 HE3 -0.45 0.00 -0.10 -0.04 2.10 1.51 2js7A1 VAL 76 H 0.12 0.49 0.06 -0.55 8.24 8.36 2js7A1 VAL 76 HA 0.06 0.24 0.85 -0.75 4.13 4.52 2js7A1 VAL 76 HB 0.06 -0.15 0.12 -0.04 2.12 2.11 2js7A1 VAL 76 HG13 0.04 -0.01 -0.14 -0.04 0.97 0.82 2js7A1 VAL 76 HG23 0.04 0.02 -0.16 -0.04 0.95 0.81 2js7A1 VAL 77 H 0.05 0.67 0.17 -0.55 8.24 8.58 2js7A1 VAL 77 HA 0.04 0.12 0.67 -0.75 4.13 4.21 2js7A1 VAL 77 HB 0.08 -0.02 -0.04 -0.04 2.12 2.10 2js7A1 VAL 77 HG13 0.14 -0.03 -0.20 -0.04 0.97 0.84 2js7A1 VAL 77 HG23 0.18 0.06 -0.15 -0.04 0.95 1.00 2js7A1 VAL 78 H -0.15 0.59 0.31 -0.55 8.24 8.43 2js7A1 VAL 78 HA -0.11 0.18 0.74 -0.75 4.13 4.18 2js7A1 VAL 78 HB 0.01 -0.05 0.40 -0.04 2.12 2.44 2js7A1 VAL 78 HG13 0.23 -0.04 -0.08 -0.04 0.97 1.03 2js7A1 VAL 78 HG23 0.15 0.03 -0.04 -0.04 0.95 1.05 2js7A1 VAL 79 H -0.05 0.60 0.33 -0.55 8.24 8.57 2js7A1 VAL 79 HA -0.00 0.04 0.46 -0.75 4.13 3.87 2js7A1 VAL 79 HB 0.39 0.01 0.10 -0.04 2.12 2.58 2js7A1 VAL 79 HG13 0.29 -0.01 -0.16 -0.04 0.97 1.05 2js7A1 VAL 79 HG23 0.31 0.06 -0.05 -0.04 0.95 1.22 2js7A1 SER 80 H 0.17 0.28 0.31 -0.55 8.46 8.66 2js7A1 SER 80 HA 0.10 0.25 0.82 -0.75 4.49 4.91 2js7A1 SER 80 HB2 0.19 -0.11 0.08 -0.04 3.95 4.07 2js7A1 SER 80 HB3 0.13 -0.06 0.12 -0.04 3.93 4.07 2js7A1 ASP 81 H 0.07 0.21 0.12 -0.55 8.40 8.25 2js7A1 ASP 81 HA 0.02 0.14 0.34 -0.75 4.63 4.38 2js7A1 ASP 81 HB2 0.02 0.11 0.06 -0.04 2.71 2.85 2js7A1 ASP 81 HB3 0.02 -0.00 0.14 -0.04 2.70 2.82 2js7A1 ASP 82 H 0.10 0.04 -0.15 -0.55 8.40 7.84 2js7A1 ASP 82 HA 0.05 0.22 0.48 -0.75 4.63 4.62 2js7A1 ASP 82 HB2 0.07 0.09 0.07 -0.04 2.71 2.90 2js7A1 ASP 82 HB3 0.12 -0.12 0.03 -0.04 2.70 2.69 2js7A1 TYR 83 H 0.22 -0.00 -0.32 -0.55 8.29 7.63 2js7A1 TYR 83 HA 0.05 0.01 0.42 -0.75 4.56 4.28 2js7A1 TYR 83 HB2 0.11 -0.11 0.17 -0.04 3.06 3.19 2js7A1 TYR 83 HB3 0.10 -0.04 0.31 -0.04 2.98 3.30 2js7A1 TYR 83 HD2 0.10 -0.09 -0.22 -0.04 7.15 6.90 2js7A1 TYR 83 HE2 0.13 0.00 -0.29 -0.04 6.85 6.66 2js7A1 LEU 84 H 0.19 0.52 -0.05 -0.55 8.37 8.47 2js7A1 LEU 84 HA 0.01 0.04 0.29 -0.75 4.35 3.94 2js7A1 LEU 84 HB2 0.03 0.03 0.03 -0.04 1.64 1.69 2js7A1 LEU 84 HB3 0.02 0.08 0.04 -0.04 1.64 1.74 2js7A1 LEU 84 HG 0.21 0.01 -0.03 -0.04 1.64 1.79 2js7A1 LEU 84 HD13 -0.09 0.02 -0.22 -0.04 0.93 0.60 2js7A1 LEU 84 HD23 0.24 0.00 -0.05 -0.04 0.89 1.04 2js7A1 GLN 85 H 0.00 0.05 -0.71 -0.55 8.47 7.27 2js7A1 GLN 85 HA -0.02 0.19 0.82 -0.75 4.36 4.59 2js7A1 GLN 85 HB2 -0.01 -0.02 0.09 -0.04 2.15 2.18 2js7A1 GLN 85 HB3 -0.01 0.00 0.01 -0.04 2.02 1.99 2js7A1 GLN 85 HG2 0.02 0.01 0.18 -0.04 2.40 2.57 2js7A1 GLN 85 HG3 0.00 0.00 -0.14 -0.04 2.39 2.22 2js7A1 GLN 85 HE21 0.02 0.30 -0.14 -0.04 6.97 7.11 2js7A1 GLN 85 HE22 0.01 -0.04 -0.08 -0.04 7.69 7.54 2js7A1 SER 86 H -0.06 0.19 -0.07 -0.55 8.46 7.97 2js7A1 SER 86 HA -0.03 0.17 0.69 -0.75 4.49 4.55 2js7A1 SER 86 HB2 -0.04 -0.12 0.20 -0.04 3.95 3.95 2js7A1 SER 86 HB3 -0.01 0.09 0.17 -0.04 3.93 4.13 2js7A1 LYS 87 H -0.04 0.18 0.19 -0.55 8.42 8.20 2js7A1 LYS 87 HA -0.03 0.12 0.36 -0.75 4.32 4.02 2js7A1 LYS 87 HB2 -0.02 0.08 0.16 -0.04 1.87 2.04 2js7A1 LYS 87 HB3 -0.04 -0.03 0.12 -0.04 1.79 1.80 2js7A1 LYS 87 HG2 0.01 -0.04 -0.14 -0.04 1.46 1.24 2js7A1 LYS 87 HG3 0.01 0.04 0.06 -0.04 1.46 1.53 2js7A1 LYS 87 HD2 -0.01 0.04 0.03 -0.04 1.69 1.70 2js7A1 LYS 87 HD3 -0.04 -0.02 -0.00 -0.04 1.68 1.58 2js7A1 LYS 87 HE2 0.00 -0.02 -0.02 -0.04 2.99 2.91 2js7A1 LYS 87 HE3 0.02 0.03 -0.00 -0.04 2.99 2.99 2js7A1 GLU 88 H -0.09 0.04 -0.39 -0.55 8.60 7.61 2js7A1 GLU 88 HA -0.00 0.05 0.31 -0.75 4.29 3.90 2js7A1 GLU 88 HB2 -0.21 0.02 -0.01 -0.04 2.09 1.84 2js7A1 GLU 88 HB3 0.13 -0.00 -0.08 -0.04 1.99 2.00 2js7A1 GLU 88 HG2 -0.06 -0.10 0.06 -0.04 2.34 2.20 2js7A1 GLU 88 HG3 -0.02 0.28 0.04 -0.04 2.34 2.60 2js7A1 CYS 89 H -0.42 0.41 -0.18 -0.55 8.50 7.76 2js7A1 CYS 89 HA -0.38 0.01 0.33 -0.75 4.58 3.78 2js7A1 CYS 89 HB2 -0.58 0.04 -0.06 -0.04 2.97 2.32 2js7A1 CYS 89 HB3 -0.20 0.15 0.01 -0.04 2.97 2.89 2js7A1 ASP 90 H -0.07 0.24 -0.26 -0.55 8.40 7.76 2js7A1 ASP 90 HA -0.01 0.05 0.42 -0.75 4.63 4.34 2js7A1 ASP 90 HB2 0.01 0.09 0.14 -0.04 2.71 2.91 2js7A1 ASP 90 HB3 0.00 -0.00 0.02 -0.04 2.70 2.68 2js7A1 PHE 91 H 0.14 0.58 -0.09 -0.55 8.34 8.42 2js7A1 PHE 91 HA -0.01 0.03 0.44 -0.75 4.62 4.32 2js7A1 PHE 91 HB2 -0.02 -0.03 0.07 -0.04 3.15 3.14 2js7A1 PHE 91 HB3 0.01 0.13 0.18 -0.04 3.06 3.34 2js7A1 PHE 91 HD2 0.01 0.00 -0.06 -0.04 7.28 7.20 2js7A1 PHE 91 HE2 -0.22 -0.01 -0.06 -0.04 7.38 7.05 2js7A1 PHE 91 HZ -0.63 0.03 -0.06 -0.04 7.32 6.62 2js7A1 GLN 92 H 0.25 0.56 -0.07 -0.55 8.47 8.67 2js7A1 GLN 92 HA 0.05 0.03 0.36 -0.75 4.36 4.05 2js7A1 GLN 92 HB2 0.36 -0.05 0.04 -0.04 2.15 2.45 2js7A1 GLN 92 HB3 0.24 0.07 0.11 -0.04 2.02 2.41 2js7A1 GLN 92 HG2 0.23 0.02 -0.10 -0.04 2.40 2.51 2js7A1 GLN 92 HG3 0.31 -0.06 -0.10 -0.04 2.39 2.50 2js7A1 GLN 92 HE21 0.15 -0.09 -0.09 -0.04 6.97 6.90 2js7A1 GLN 92 HE22 0.19 -0.03 0.04 -0.04 7.69 7.85 2js7A1 THR 93 H 0.04 0.45 -0.38 -0.55 8.28 7.84 2js7A1 THR 93 HA -0.02 0.04 0.40 -0.75 4.39 4.05 2js7A1 THR 93 HB -0.01 0.10 0.18 -0.04 4.32 4.55 2js7A1 THR 93 HG23 -0.04 -0.02 -0.10 -0.04 1.22 1.02 2js7A1 LYS 94 H -0.06 0.67 -0.03 -0.55 8.42 8.45 2js7A1 LYS 94 HA -0.08 -0.00 0.37 -0.75 4.32 3.86 2js7A1 LYS 94 HB2 -0.14 0.10 0.17 -0.04 1.87 1.95 2js7A1 LYS 94 HB3 -0.08 -0.04 0.02 -0.04 1.79 1.64 2js7A1 LYS 94 HG2 -0.03 0.33 0.09 -0.04 1.46 1.82 2js7A1 LYS 94 HG3 -0.02 -0.09 -0.01 -0.04 1.46 1.30 2js7A1 LYS 94 HD2 -0.04 -0.01 0.01 -0.04 1.69 1.61 2js7A1 LYS 94 HD3 -0.04 -0.02 -0.02 -0.04 1.68 1.55 2js7A1 LYS 94 HE2 -0.02 -0.01 -0.02 -0.04 2.99 2.90 2js7A1 LYS 94 HE3 -0.01 -0.03 -0.02 -0.04 2.99 2.88 2js7A1 PHE 95 H -0.13 0.51 -0.20 -0.55 8.34 7.97 2js7A1 PHE 95 HA -0.22 0.02 0.47 -0.75 4.62 4.14 2js7A1 PHE 95 HB2 -0.52 -0.05 0.06 -0.04 3.15 2.60 2js7A1 PHE 95 HB3 -0.27 0.13 0.13 -0.04 3.06 3.01 2js7A1 PHE 95 HD2 -0.13 -0.02 -0.05 -0.04 7.28 7.04 2js7A1 PHE 95 HE2 -0.04 -0.01 -0.19 -0.04 7.38 7.09 2js7A1 PHE 95 HZ -0.02 0.23 -0.21 -0.04 7.32 7.27 2js7A1 ALA 96 H -0.06 0.56 -0.11 -0.55 8.40 8.24 2js7A1 ALA 96 HA -0.38 0.02 0.35 -0.75 4.34 3.58 2js7A1 ALA 96 HB3 -0.24 0.02 0.09 -0.04 1.41 1.25 2js7A1 LEU 97 H -0.19 0.53 -0.32 -0.55 8.37 7.85 2js7A1 LEU 97 HA -0.19 -0.00 0.38 -0.75 4.35 3.78 2js7A1 LEU 97 HB2 -0.11 0.15 0.11 -0.04 1.64 1.75 2js7A1 LEU 97 HB3 -0.09 -0.07 -0.01 -0.04 1.64 1.43 2js7A1 LEU 97 HG -0.12 0.30 -0.03 -0.04 1.64 1.75 2js7A1 LEU 97 HD13 -0.06 -0.05 -0.08 -0.04 0.93 0.70 2js7A1 LEU 97 HD23 -0.11 -0.03 -0.05 -0.04 0.89 0.66 2js7A1 SER 98 H -0.18 0.40 -0.26 -0.55 8.46 7.87 2js7A1 SER 98 HA -0.09 0.02 0.46 -0.75 4.49 4.13 2js7A1 SER 98 HB2 -0.07 -0.07 0.11 -0.04 3.95 3.88 2js7A1 SER 98 HB3 -0.08 -0.03 0.11 -0.04 3.93 3.88 2js7A1 LEU 99 H -0.26 0.22 -0.53 -0.55 8.37 7.25 2js7A1 LEU 99 HA -0.15 0.06 0.46 -0.75 4.35 3.96 2js7A1 LEU 99 HB2 -0.16 0.04 0.24 -0.04 1.64 1.73 2js7A1 LEU 99 HB3 -0.13 -0.06 0.00 -0.04 1.64 1.41 2js7A1 LEU 99 HG -0.80 0.31 -0.00 -0.04 1.64 1.11 2js7A1 LEU 99 HD13 -0.60 -0.02 -0.04 -0.04 0.93 0.22 2js7A1 LEU 99 HD23 -0.43 -0.01 -0.08 -0.04 0.89 0.32 2js7A1 SER 100 H -0.04 0.35 0.08 -0.55 8.46 8.30 2js7A1 SER 100 HA -0.01 0.15 0.39 -0.75 4.49 4.26 2js7A1 SER 100 HB2 -0.02 0.37 -0.00 -0.04 3.95 4.26 2js7A1 SER 100 HB3 0.00 -0.24 -0.08 -0.04 3.93 3.57 2js7A1 PRO 101 HA 0.13 0.10 0.34 -0.51 4.44 4.50 2js7A1 PRO 101 HB2 0.03 -0.04 0.10 -0.04 2.28 2.32 2js7A1 PRO 101 HB3 0.04 0.05 0.09 -0.04 2.02 2.15 2js7A1 PRO 101 HG2 0.01 0.03 0.10 -0.04 2.03 2.13 2js7A1 PRO 101 HG3 0.01 0.07 0.10 -0.04 2.03 2.16 2js7A1 PRO 101 HD2 0.01 0.08 0.21 -0.04 3.68 3.94 2js7A1 PRO 101 HD3 -0.00 0.22 0.17 -0.04 3.65 4.00 2js7A1 GLY 102 H 0.02 0.03 -0.18 -0.55 8.43 7.75 2js7A1 GLY 102 HA2 -0.09 0.23 0.77 -0.51 4.01 4.41 2js7A1 GLY 102 HA3 -0.04 0.03 0.29 -0.51 4.01 3.78 2js7A1 ALA 103 H -0.02 0.03 -0.01 -0.55 8.40 7.86 2js7A1 ALA 103 HA -0.04 0.06 0.27 -0.75 4.34 3.88 2js7A1 ALA 103 HB3 -0.01 0.03 0.02 -0.04 1.41 1.41 2js7A1 HIS 104 H 0.03 0.35 -0.33 -0.55 8.41 7.92 2js7A1 HIS 104 HA -0.09 0.05 0.37 -0.75 4.63 4.20 2js7A1 HIS 104 HB2 -0.15 -0.09 0.15 -0.04 3.26 3.14 2js7A1 HIS 104 HB3 -0.11 0.02 0.21 -0.04 3.20 3.28 2js7A1 HIS 104 HD2 -0.01 -0.09 -0.20 -0.04 6.97 6.63 2js7A1 HIS 104 HE1 -0.02 -0.03 0.09 -0.04 7.75 7.75 2js7A1 GLN 105 H -0.60 0.43 -0.31 -0.55 8.47 7.43 2js7A1 GLN 105 HA -0.23 0.06 0.41 -0.75 4.36 3.84 2js7A1 GLN 105 HB2 -0.55 0.07 0.20 -0.04 2.15 1.82 2js7A1 GLN 105 HB3 -0.20 -0.01 0.11 -0.04 2.02 1.88 2js7A1 GLN 105 HG2 -0.11 -0.03 0.02 -0.04 2.40 2.24 2js7A1 GLN 105 HG3 -0.09 -0.05 0.08 -0.04 2.39 2.29 2js7A1 GLN 105 HE21 -0.02 -0.04 -0.10 -0.04 6.97 6.77 2js7A1 GLN 105 HE22 0.05 -0.08 -0.32 -0.04 7.69 7.29 2js7A1 LYS 106 H -0.11 0.24 -0.10 -0.55 8.42 7.89 2js7A1 LYS 106 HA -0.03 0.06 0.50 -0.75 4.32 4.11 2js7A1 LYS 106 HB2 -0.02 0.10 0.05 -0.04 1.87 1.96 2js7A1 LYS 106 HB3 -0.00 0.01 0.03 -0.04 1.79 1.79 2js7A1 LYS 106 HG2 -0.05 -0.01 0.01 -0.04 1.46 1.37 2js7A1 LYS 106 HG3 -0.01 -0.04 -0.02 -0.04 1.46 1.35 2js7A1 LYS 106 HD2 -0.00 0.04 0.01 -0.04 1.69 1.70 2js7A1 LYS 106 HD3 -0.03 0.01 -0.06 -0.04 1.68 1.56 2js7A1 LYS 106 HE2 -0.00 -0.00 -0.02 -0.04 2.99 2.92 2js7A1 LYS 106 HE3 -0.02 -0.03 -0.03 -0.04 2.99 2.87 2js7A1 ARG 107 H -0.01 0.22 -0.68 -0.55 8.46 7.43 2js7A1 ARG 107 HA 0.06 0.12 0.69 -0.75 4.34 4.47 2js7A1 ARG 107 HB2 0.04 0.01 0.05 -0.04 1.90 1.95 2js7A1 ARG 107 HB3 0.05 0.04 0.14 -0.04 1.80 2.00 2js7A1 ARG 107 HG2 0.23 -0.20 0.16 -0.04 1.67 1.81 2js7A1 ARG 107 HG3 0.12 0.19 0.32 -0.04 1.67 2.26 2js7A1 ARG 107 HD2 0.05 -0.07 0.02 -0.04 3.22 3.18 2js7A1 ARG 107 HD3 -0.04 -0.14 -0.02 -0.04 3.22 2.99 2js7A1 LEU 108 H 0.04 0.34 -0.29 -0.55 8.37 7.91 2js7A1 LEU 108 HA 0.13 0.18 1.07 -0.75 4.35 4.97 2js7A1 LEU 108 HB2 0.10 0.05 0.24 -0.04 1.64 1.99 2js7A1 LEU 108 HB3 0.14 -0.17 0.02 -0.04 1.64 1.59 2js7A1 LEU 108 HG 0.17 0.37 -0.06 -0.04 1.64 2.09 2js7A1 LEU 108 HD13 0.25 -0.04 -0.05 -0.04 0.93 1.04 2js7A1 LEU 108 HD23 0.29 -0.00 -0.06 -0.04 0.89 1.07 2js7A1 ILE 109 H 0.06 0.48 0.25 -0.55 8.25 8.50 2js7A1 ILE 109 HA -0.02 0.29 1.00 -0.75 4.18 4.70 2js7A1 ILE 109 HB -0.00 -0.11 0.13 -0.04 1.89 1.87 2js7A1 ILE 109 HG12 -0.02 0.09 -0.05 -0.04 1.49 1.46 2js7A1 ILE 109 HG13 0.01 0.02 -0.23 -0.04 1.21 0.98 2js7A1 ILE 109 HG23 -0.08 -0.00 -0.14 -0.04 0.93 0.67 2js7A1 ILE 109 HD13 -0.02 0.01 -0.10 -0.04 0.88 0.73 2js7A1 PRO 110 HA 0.00 0.28 0.70 -0.51 4.44 4.92 2js7A1 PRO 110 HB2 -0.24 -0.08 0.03 -0.04 2.28 1.95 2js7A1 PRO 110 HB3 0.18 -0.02 0.06 -0.04 2.02 2.20 2js7A1 PRO 110 HG2 -0.08 -0.14 0.00 -0.04 2.03 1.77 2js7A1 PRO 110 HG3 0.06 0.09 0.02 -0.04 2.03 2.16 2js7A1 PRO 110 HD2 -0.12 0.35 0.08 -0.04 3.68 3.94 2js7A1 PRO 110 HD3 -0.03 0.51 0.32 -0.04 3.65 4.42 2js7A1 ILE 111 H -0.07 0.61 0.31 -0.55 8.25 8.55 2js7A1 ILE 111 HA -0.15 0.17 1.00 -0.75 4.18 4.45 2js7A1 ILE 111 HB -0.17 -0.10 0.02 -0.04 1.89 1.60 2js7A1 ILE 111 HG12 -0.06 0.12 -0.20 -0.04 1.49 1.30 2js7A1 ILE 111 HG13 -0.02 -0.02 -0.10 -0.04 1.21 1.03 2js7A1 ILE 111 HG23 -0.35 -0.00 -0.12 -0.04 0.93 0.42 2js7A1 ILE 111 HD13 -0.13 0.04 -0.10 -0.04 0.88 0.65 2js7A1 LYS 112 H -0.16 0.55 0.16 -0.55 8.42 8.41 2js7A1 LYS 112 HA -0.08 0.15 0.99 -0.75 4.32 4.62 2js7A1 LYS 112 HB2 0.16 0.05 -0.16 -0.04 1.87 1.88 2js7A1 LYS 112 HB3 -0.03 -0.02 0.05 -0.04 1.79 1.75 2js7A1 LYS 112 HG2 0.06 0.11 -0.04 -0.04 1.46 1.56 2js7A1 LYS 112 HG3 0.12 -0.06 0.03 -0.04 1.46 1.52 2js7A1 LYS 112 HD2 0.55 -0.01 -0.04 -0.04 1.69 2.16 2js7A1 LYS 112 HD3 0.33 -0.01 -0.03 -0.04 1.68 1.93 2js7A1 LYS 112 HE2 0.12 -0.19 0.05 -0.04 2.99 2.94 2js7A1 LYS 112 HE3 0.23 0.02 0.01 -0.04 2.99 3.21 2js7A1 TYR 113 H -0.13 0.17 0.10 -0.55 8.29 7.88 2js7A1 TYR 113 HA 0.01 0.06 0.60 -0.75 4.56 4.48 2js7A1 TYR 113 HB2 -0.51 -0.05 0.02 -0.04 3.06 2.48 2js7A1 TYR 113 HB3 -0.59 0.07 0.06 -0.04 2.98 2.48 2js7A1 TYR 113 HD2 -0.19 0.00 -0.04 -0.04 7.15 6.88 2js7A1 TYR 113 HE2 0.13 0.02 -0.10 -0.04 6.85 6.86 2js7A1 LYS 114 H 0.00 0.01 -0.11 -0.55 8.42 7.77 2js7A1 LYS 114 HA -0.04 0.30 0.81 -0.75 4.32 4.64 2js7A1 LYS 114 HB2 -0.00 -0.03 0.13 -0.04 1.87 1.92 2js7A1 LYS 114 HB3 -0.10 0.04 -0.12 -0.04 1.79 1.57 2js7A1 LYS 114 HG2 0.02 -0.06 0.04 -0.04 1.46 1.43 2js7A1 LYS 114 HG3 0.03 0.01 -0.13 -0.04 1.46 1.34 2js7A1 LYS 114 HD2 0.02 0.04 -0.02 -0.04 1.69 1.69 2js7A1 LYS 114 HD3 0.07 -0.26 0.07 -0.04 1.68 1.51 2js7A1 LYS 114 HE2 0.04 0.00 -0.02 -0.04 2.99 2.97 2js7A1 LYS 114 HE3 0.04 0.13 -0.01 -0.04 2.99 3.11 2js7A1 ALA 115 H 0.01 0.18 0.07 -0.55 8.40 8.11 2js7A1 ALA 115 HA 0.04 0.13 0.72 -0.75 4.34 4.47 2js7A1 ALA 115 HB3 0.02 0.05 0.02 -0.04 1.41 1.45 2js7A1 MET 116 H 0.01 0.16 0.04 -0.55 8.47 8.13 2js7A1 MET 116 HA -0.01 0.18 0.68 -0.75 4.52 4.62 2js7A1 MET 116 HB2 -0.07 0.16 -0.02 -0.04 2.15 2.18 2js7A1 MET 116 HB3 -0.03 -0.15 0.18 -0.04 2.03 1.99 2js7A1 MET 116 HG2 0.02 -0.18 0.01 -0.04 2.63 2.45 2js7A1 MET 116 HG3 0.02 0.04 -0.08 -0.04 2.56 2.50 2js7A1 MET 116 HE3 0.03 0.03 -0.18 -0.04 2.10 1.94 2js7A1 LYS 117 H -0.05 -0.01 0.18 -0.55 8.42 7.99 2js7A1 LYS 117 HA -0.06 0.27 0.86 -0.75 4.32 4.63 2js7A1 LYS 117 HB2 -0.04 -0.05 0.03 -0.04 1.87 1.78 2js7A1 LYS 117 HB3 -0.04 0.05 0.08 -0.04 1.79 1.84 2js7A1 LYS 117 HG2 -0.02 0.11 -0.11 -0.04 1.46 1.40 2js7A1 LYS 117 HG3 -0.02 -0.10 -0.12 -0.04 1.46 1.18 2js7A1 LYS 117 HD2 -0.01 0.03 -0.01 -0.04 1.69 1.65 2js7A1 LYS 117 HD3 -0.01 0.02 -0.02 -0.04 1.68 1.63 2js7A1 LYS 117 HE2 -0.01 -0.04 0.00 -0.04 2.99 2.90 2js7A1 LYS 117 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.90 2js7A1 LYS 118 H -0.10 -0.20 0.08 -0.55 8.42 7.65 2js7A1 LYS 118 HA -0.10 0.07 0.37 -0.75 4.32 3.90 2js7A1 LYS 118 HB2 -0.13 -0.10 0.00 -0.04 1.87 1.60 2js7A1 LYS 118 HB3 -0.12 0.18 0.03 -0.04 1.79 1.84 2js7A1 LYS 118 HG2 -0.05 0.07 0.04 -0.04 1.46 1.48 2js7A1 LYS 118 HG3 -0.05 -0.16 0.09 -0.04 1.46 1.30 2js7A1 LYS 118 HD2 -0.02 -0.08 0.09 -0.04 1.69 1.64 2js7A1 LYS 118 HD3 -0.03 0.09 -0.03 -0.04 1.68 1.67 2js7A1 LYS 118 HE2 -0.01 -0.12 0.01 -0.04 2.99 2.83 2js7A1 LYS 118 HE3 -0.00 0.08 0.02 -0.04 2.99 3.04 2js7A1 GLU 119 H -0.13 0.07 0.14 -0.55 8.60 8.14 2js7A1 GLU 119 HA -0.30 0.17 0.69 -0.75 4.29 4.10 2js7A1 GLU 119 HB2 -0.06 -0.02 0.05 -0.04 2.09 2.01 2js7A1 GLU 119 HB3 -0.05 0.04 0.07 -0.04 1.99 2.02 2js7A1 GLU 119 HG2 -0.07 0.06 -0.01 -0.04 2.34 2.28 2js7A1 GLU 119 HG3 -0.07 -0.04 0.02 -0.04 2.34 2.20 2js7A1 PHE 120 H -0.05 0.14 0.10 -0.55 8.34 7.98 2js7A1 PHE 120 HA -0.06 0.11 0.43 -0.75 4.62 4.34 2js7A1 PHE 120 HB2 -0.07 0.04 0.04 -0.04 3.15 3.12 2js7A1 PHE 120 HB3 -0.05 -0.02 0.02 -0.04 3.06 2.97 2js7A1 PHE 120 HD2 -0.17 0.01 -0.04 -0.04 7.28 7.03 2js7A1 PHE 120 HE2 -0.68 -0.01 -0.10 -0.04 7.38 6.56 2js7A1 PHE 120 HZ -1.36 -0.01 -0.10 -0.04 7.32 5.81 2js7A1 PRO 121 HA 0.06 0.16 0.74 -0.51 4.44 4.89 2js7A1 PRO 121 HB2 0.06 -0.05 0.02 -0.04 2.28 2.27 2js7A1 PRO 121 HB3 0.05 0.13 0.10 -0.04 2.02 2.26 2js7A1 PRO 121 HG2 0.15 -0.08 0.09 -0.04 2.03 2.15 2js7A1 PRO 121 HG3 0.11 0.10 0.05 -0.04 2.03 2.25 2js7A1 PRO 121 HD2 0.28 0.01 0.22 -0.04 3.68 4.15 2js7A1 PRO 121 HD3 0.11 0.25 0.16 -0.04 3.65 4.13 2js7A1 SER 122 H 0.05 0.21 0.12 -0.55 8.46 8.30 2js7A1 SER 122 HA 0.06 0.12 0.22 -0.75 4.49 4.13 2js7A1 SER 122 HB2 0.04 0.02 0.10 -0.04 3.95 4.07 2js7A1 SER 122 HB3 0.03 -0.01 0.04 -0.04 3.93 3.95 2js7A1 ILE 123 H 0.06 -0.06 -0.62 -0.55 8.25 7.08 2js7A1 ILE 123 HA 0.06 0.14 0.24 -0.75 4.18 3.86 2js7A1 ILE 123 HB -0.01 -0.05 0.01 -0.04 1.89 1.79 2js7A1 ILE 123 HG12 -0.09 -0.04 0.02 -0.04 1.49 1.34 2js7A1 ILE 123 HG13 -0.08 0.06 -0.01 -0.04 1.21 1.14 2js7A1 ILE 123 HG23 0.07 -0.03 -0.18 -0.04 0.93 0.75 2js7A1 ILE 123 HD13 -0.37 0.01 -0.07 -0.04 0.88 0.41 2js7A1 LEU 124 H 0.11 0.26 -0.41 -0.55 8.37 7.78 2js7A1 LEU 124 HA 0.13 0.27 0.68 -0.75 4.35 4.67 2js7A1 LEU 124 HB2 0.14 -0.05 -0.01 -0.04 1.64 1.69 2js7A1 LEU 124 HB3 0.17 0.11 -0.17 -0.04 1.64 1.70 2js7A1 LEU 124 HG 0.16 0.02 0.04 -0.04 1.64 1.82 2js7A1 LEU 124 HD13 0.19 -0.02 -0.09 -0.04 0.93 0.96 2js7A1 LEU 124 HD23 0.25 -0.00 -0.11 -0.04 0.89 0.99 2js7A1 ARG 125 H 0.07 0.33 0.10 -0.55 8.46 8.40 2js7A1 ARG 125 HA -0.27 -0.11 0.21 -0.75 4.34 3.42 2js7A1 ARG 125 HB2 -0.06 0.00 0.07 -0.04 1.90 1.88 2js7A1 ARG 125 HB3 0.04 -0.06 -0.20 -0.04 1.80 1.54 2js7A1 ARG 125 HG2 0.03 0.09 -0.44 -0.04 1.67 1.31 2js7A1 ARG 125 HG3 -0.02 0.16 -0.26 -0.04 1.67 1.51 2js7A1 ARG 125 HD2 0.03 -0.11 -0.05 -0.04 3.22 3.05 2js7A1 ARG 125 HD3 0.02 0.05 -0.06 -0.04 3.22 3.18 2js7A1 PHE 126 H -0.09 -0.08 -0.43 -0.55 8.34 7.18 2js7A1 PHE 126 HA -0.22 -0.09 0.26 -0.75 4.62 3.82 2js7A1 PHE 126 HB2 -0.67 0.04 -0.28 -0.04 3.15 2.21 2js7A1 PHE 126 HB3 -0.24 0.03 0.06 -0.04 3.06 2.88 2js7A1 PHE 126 HD2 -0.15 0.03 -0.03 -0.04 7.28 7.09 2js7A1 PHE 126 HE2 0.14 -0.02 -0.07 -0.04 7.38 7.38 2js7A1 PHE 126 HZ 0.16 -0.03 -0.09 -0.04 7.32 7.32 2js7A1 ILE 127 H 0.00 0.10 0.04 -0.55 8.25 7.84 2js7A1 ILE 127 HA -0.03 0.14 0.74 -0.75 4.18 4.28 2js7A1 ILE 127 HB -0.04 0.04 0.12 -0.04 1.89 1.97 2js7A1 ILE 127 HG12 -0.04 -0.00 -0.32 -0.04 1.49 1.09 2js7A1 ILE 127 HG13 -0.04 -0.06 -0.01 -0.04 1.21 1.07 2js7A1 ILE 127 HG23 -0.02 0.02 0.23 -0.04 0.93 1.11 2js7A1 ILE 127 HD13 -0.05 0.03 -0.15 -0.04 0.88 0.68 2js7A1 THR 128 H -0.09 0.14 0.01 -0.55 8.28 7.80 2js7A1 THR 128 HA -0.11 0.11 0.61 -0.75 4.39 4.25 2js7A1 THR 128 HB -0.05 0.08 -0.02 -0.04 4.32 4.29 2js7A1 THR 128 HG23 -0.05 0.00 0.08 -0.04 1.22 1.21 2js7A1 VAL 129 H -0.29 0.15 0.01 -0.55 8.24 7.57 2js7A1 VAL 129 HA -0.35 0.44 0.75 -0.75 4.13 4.22 2js7A1 VAL 129 HB -1.53 -0.06 -0.00 -0.04 2.12 0.48 2js7A1 VAL 129 HG13 -0.55 -0.00 -0.03 -0.04 0.97 0.35 2js7A1 VAL 129 HG23 -0.60 -0.00 -0.24 -0.04 0.95 0.07 2js7A1 CYS 130 H -0.21 0.46 0.28 -0.55 8.50 8.48 2js7A1 CYS 130 HA -0.10 0.19 0.92 -0.75 4.58 4.83 2js7A1 CYS 130 HB2 -0.24 0.13 -0.04 -0.04 2.97 2.79 2js7A1 CYS 130 HB3 -0.20 -0.10 0.16 -0.04 2.97 2.79 2js7A1 ASP 131 H -0.02 0.25 0.03 -0.55 8.40 8.11 2js7A1 ASP 131 HA -0.04 0.21 0.66 -0.75 4.63 4.70 2js7A1 ASP 131 HB2 -0.04 0.02 0.20 -0.04 2.71 2.85 2js7A1 ASP 131 HB3 -0.04 -0.06 0.06 -0.04 2.70 2.62 2js7A1 TYR 132 H -0.08 0.37 0.26 -0.55 8.29 8.29 2js7A1 TYR 132 HA -1.06 0.07 0.40 -0.75 4.56 3.22 2js7A1 TYR 132 HB2 -0.95 -0.00 0.03 -0.04 3.06 2.09 2js7A1 TYR 132 HB3 -0.19 -0.07 0.07 -0.04 2.98 2.75 2js7A1 TYR 132 HD2 -0.83 -0.01 -0.04 -0.04 7.15 6.24 2js7A1 TYR 132 HE2 0.04 -0.00 -0.02 -0.04 6.85 6.82 2js7A1 THR 133 H -0.10 0.18 -0.29 -0.55 8.28 7.52 2js7A1 THR 133 HA -0.18 0.11 0.41 -0.75 4.39 3.98 2js7A1 THR 133 HB -0.04 0.09 -0.39 -0.04 4.32 3.94 2js7A1 THR 133 HG23 -0.03 0.02 -0.20 -0.04 1.22 0.97 2js7A1 ASN 134 H -0.17 0.34 -0.52 -0.55 8.53 7.63 2js7A1 ASN 134 HA -0.09 0.24 0.86 -0.75 4.76 5.01 2js7A1 ASN 134 HB2 -0.07 0.06 0.19 -0.04 2.88 3.02 2js7A1 ASN 134 HB3 -0.05 -0.09 0.06 -0.04 2.79 2.66 2js7A1 ASN 134 HD21 -0.03 -0.02 0.03 -0.04 7.03 6.98 2js7A1 ASN 134 HD22 -0.00 0.03 -0.03 -0.04 7.74 7.69 2js7A1 PRO 135 HA -0.15 0.15 0.37 -0.51 4.44 4.30 2js7A1 PRO 135 HB2 -0.05 0.01 -0.02 -0.04 2.28 2.18 2js7A1 PRO 135 HB3 -0.07 0.07 0.12 -0.04 2.02 2.10 2js7A1 PRO 135 HG2 -0.06 0.02 0.09 -0.04 2.03 2.04 2js7A1 PRO 135 HG3 -0.10 0.08 0.08 -0.04 2.03 2.04 2js7A1 PRO 135 HD2 -0.06 0.04 0.22 -0.04 3.68 3.84 2js7A1 PRO 135 HD3 -0.11 0.41 0.29 -0.04 3.65 4.20 2js7A1 CYS 136 H -0.05 0.03 -0.54 -0.55 8.50 7.39 2js7A1 CYS 136 HA -0.00 0.10 0.37 -0.75 4.58 4.30 2js7A1 CYS 136 HB2 -0.02 -0.04 0.02 -0.04 2.97 2.89 2js7A1 CYS 136 HB3 0.00 0.04 -0.01 -0.04 2.97 2.96 2js7A1 THR 137 H -0.05 0.26 -0.11 -0.55 8.28 7.83 2js7A1 THR 137 HA -0.00 0.18 0.80 -0.75 4.39 4.62 2js7A1 THR 137 HB -0.02 0.00 0.02 -0.04 4.32 4.28 2js7A1 THR 137 HG23 0.00 -0.05 -0.04 -0.04 1.22 1.09 2js7A1 LYS 138 H -0.12 0.33 -0.13 -0.55 8.42 7.95 2js7A1 LYS 138 HA -0.19 -0.05 0.57 -0.75 4.32 3.89 2js7A1 LYS 138 HB2 -0.49 0.11 -0.00 -0.04 1.87 1.45 2js7A1 LYS 138 HB3 -0.26 -0.05 0.13 -0.04 1.79 1.57 2js7A1 LYS 138 HG2 -0.24 0.00 -0.01 -0.04 1.46 1.18 2js7A1 LYS 138 HG3 -0.59 -0.10 0.02 -0.04 1.46 0.76 2js7A1 LYS 138 HD2 -0.56 -0.07 0.01 -0.04 1.69 1.03 2js7A1 LYS 138 HD3 -1.03 0.30 0.03 -0.04 1.68 0.95 2js7A1 LYS 138 HE2 -0.27 -0.04 -0.01 -0.04 2.99 2.63 2js7A1 LYS 138 HE3 -0.17 -0.01 0.05 -0.04 2.99 2.81 2js7A1 SER 139 H -0.02 0.41 -0.06 -0.55 8.46 8.24 2js7A1 SER 139 HA 0.06 0.22 0.75 -0.75 4.49 4.76 2js7A1 SER 139 HB2 0.10 0.16 -0.12 -0.04 3.95 4.05 2js7A1 SER 139 HB3 0.28 -0.09 0.06 -0.04 3.93 4.14 2js7A1 TRP 140 H 0.43 0.25 0.10 -0.55 7.97 8.19 2js7A1 TRP 140 HA 0.04 0.25 0.86 -0.75 4.62 5.01 2js7A1 TRP 140 HB2 0.02 0.00 0.19 -0.04 3.23 3.40 2js7A1 TRP 140 HB3 0.02 0.07 0.08 -0.04 3.23 3.36 2js7A1 TRP 140 HD1 0.01 -0.03 0.06 -0.04 7.22 7.22 2js7A1 TRP 140 HE1 0.00 0.05 0.01 -0.04 10.20 10.22 2js7A1 TRP 140 HE3 0.04 -0.05 -0.10 -0.04 7.59 7.43 2js7A1 TRP 140 HZ2 0.00 0.03 -0.01 -0.04 7.44 7.42 2js7A1 TRP 140 HZ3 0.10 0.09 -0.14 -0.04 7.13 7.14 2js7A1 TRP 140 HH2 0.02 0.06 -0.01 -0.04 7.19 7.21 2js7A1 PHE 141 H -0.06 0.18 -0.48 -0.55 8.34 7.43 2js7A1 PHE 141 HA -0.56 0.13 0.26 -0.75 4.62 3.70 2js7A1 PHE 141 HB2 -0.42 0.04 0.16 -0.04 3.15 2.89 2js7A1 PHE 141 HB3 -0.90 -0.01 0.05 -0.04 3.06 2.16 2js7A1 PHE 141 HD2 -1.16 0.06 -0.28 -0.04 7.28 5.86 2js7A1 PHE 141 HE2 -0.22 -0.06 -0.39 -0.04 7.38 6.66 2js7A1 PHE 141 HZ -0.21 0.02 -0.08 -0.04 7.32 7.02 2js7A1 TRP 142 H -0.28 0.16 -0.13 -0.55 7.97 7.17 2js7A1 TRP 142 HA -0.03 0.01 0.35 -0.75 4.62 4.19 2js7A1 TRP 142 HB2 0.07 0.10 0.05 -0.04 3.23 3.40 2js7A1 TRP 142 HB3 0.04 0.08 -0.15 -0.04 3.23 3.15 2js7A1 TRP 142 HD1 0.11 0.08 0.00 -0.04 7.22 7.37 2js7A1 TRP 142 HE1 0.14 0.02 -0.04 -0.04 10.20 10.28 2js7A1 TRP 142 HE3 0.14 0.01 -0.10 -0.04 7.59 7.61 2js7A1 TRP 142 HZ2 -0.15 0.02 -0.07 -0.04 7.44 7.20 2js7A1 TRP 142 HZ3 0.31 -0.04 -0.08 -0.04 7.13 7.28 2js7A1 TRP 142 HH2 -0.33 -0.03 -0.06 -0.04 7.19 6.74 2js7A1 THR 143 H 0.17 0.06 -0.27 -0.55 8.28 7.69 2js7A1 THR 143 HA 0.07 0.15 0.61 -0.75 4.39 4.46 2js7A1 THR 143 HB 0.54 0.05 0.11 -0.04 4.32 4.98 2js7A1 THR 143 HG23 0.13 -0.02 -0.04 -0.04 1.22 1.25 2js7A1 ARG 144 H -0.41 0.52 -0.13 -0.55 8.46 7.89 2js7A1 ARG 144 HA -0.56 0.06 0.50 -0.75 4.34 3.58 2js7A1 ARG 144 HB2 -2.28 -0.01 0.03 -0.04 1.90 -0.40 2js7A1 ARG 144 HB3 -0.93 0.09 0.15 -0.04 1.80 1.07 2js7A1 ARG 144 HG2 -0.51 0.01 -0.23 -0.04 1.67 0.90 2js7A1 ARG 144 HG3 -0.67 -0.00 0.01 -0.04 1.67 0.97 2js7A1 ARG 144 HD2 -0.75 -0.01 -0.01 -0.04 3.22 2.40 2js7A1 ARG 144 HD3 -0.57 -0.03 -0.03 -0.04 3.22 2.54 2js7A1 LEU 145 H -0.45 0.66 0.03 -0.55 8.37 8.05 2js7A1 LEU 145 HA -0.22 0.06 0.45 -0.75 4.35 3.88 2js7A1 LEU 145 HB2 -0.46 -0.02 0.07 -0.04 1.64 1.19 2js7A1 LEU 145 HB3 -0.07 0.09 0.12 -0.04 1.64 1.74 2js7A1 LEU 145 HG -0.00 0.02 -0.25 -0.04 1.64 1.36 2js7A1 LEU 145 HD13 -0.10 -0.00 -0.04 -0.04 0.93 0.74 2js7A1 LEU 145 HD23 0.12 -0.03 -0.09 -0.04 0.89 0.85 2js7A1 ALA 146 H -0.00 0.58 -0.21 -0.55 8.40 8.22 2js7A1 ALA 146 HA 0.06 -0.03 0.35 -0.75 4.34 3.96 2js7A1 ALA 146 HB3 0.07 0.01 0.13 -0.04 1.41 1.57 2js7A1 LYS 147 H 0.13 0.46 -0.34 -0.55 8.42 8.11 2js7A1 LYS 147 HA 0.21 0.01 0.51 -0.75 4.32 4.30 2js7A1 LYS 147 HB2 0.49 0.05 0.16 -0.04 1.87 2.52 2js7A1 LYS 147 HB3 0.14 0.11 0.22 -0.04 1.79 2.21 2js7A1 LYS 147 HG2 0.19 -0.06 -0.01 -0.04 1.46 1.54 2js7A1 LYS 147 HG3 0.02 0.04 -0.18 -0.04 1.46 1.29 2js7A1 LYS 147 HD2 -0.18 0.01 0.07 -0.04 1.69 1.54 2js7A1 LYS 147 HD3 -0.26 -0.03 0.01 -0.04 1.68 1.37 2js7A1 LYS 147 HE2 -0.14 -0.03 -0.02 -0.04 2.99 2.75 2js7A1 LYS 147 HE3 -0.24 0.03 -0.04 -0.04 2.99 2.70 2js7A1 ALA 148 H -0.02 0.57 -0.04 -0.55 8.40 8.36 2js7A1 ALA 148 HA -0.01 0.03 0.35 -0.75 4.34 3.96 2js7A1 ALA 148 HB3 -0.06 -0.00 0.08 -0.04 1.41 1.39 2js7A1 LEU 149 H 0.01 0.37 -0.40 -0.55 8.37 7.81 2js7A1 LEU 149 HA 0.02 0.08 0.51 -0.75 4.35 4.20 2js7A1 LEU 149 HB2 0.04 0.03 0.11 -0.04 1.64 1.77 2js7A1 LEU 149 HB3 0.04 -0.10 -0.09 -0.04 1.64 1.45 2js7A1 LEU 149 HG 0.00 0.24 -0.06 -0.04 1.64 1.79 2js7A1 LEU 149 HD13 0.03 -0.06 -0.17 -0.04 0.93 0.69 2js7A1 LEU 149 HD23 0.03 -0.02 -0.14 -0.04 0.89 0.71 2js7A1 SER 150 H 0.06 0.59 -0.01 -0.55 8.46 8.55 2js7A1 SER 150 HA 0.02 -0.04 0.26 -0.75 4.49 3.98 2js7A1 SER 150 HB2 0.02 -0.04 0.08 -0.04 3.95 3.98 2js7A1 SER 150 HB3 0.11 -0.05 0.10 -0.04 3.93 4.06 2js7A1 LEU 151 H -0.01 0.33 -0.59 -0.55 8.37 7.56 2js7A1 LEU 151 HA -0.03 0.03 0.67 -0.75 4.35 4.27 2js7A1 LEU 151 HB2 0.01 0.14 0.04 -0.04 1.64 1.78 2js7A1 LEU 151 HB3 0.07 -0.06 -0.13 -0.04 1.64 1.48 2js7A1 LEU 151 HG -0.10 0.19 -0.01 -0.04 1.64 1.68 2js7A1 LEU 151 HD13 -0.12 -0.04 -0.09 -0.04 0.93 0.64 2js7A1 LEU 151 HD23 -0.23 -0.02 -0.03 -0.04 0.89 0.57 2js7A1 PRO 152 HA -0.09 0.10 0.30 -0.51 4.44 4.24 2js7A1 PRO 152 HB2 -0.98 -0.07 0.14 -0.04 2.28 1.33 2js7A1 PRO 152 HB3 -0.30 0.08 0.12 -0.04 2.02 1.88 2js7A1 PRO 152 HG2 -0.18 -0.09 0.18 -0.04 2.03 1.90 2js7A1 PRO 152 HG3 -0.23 0.03 0.13 -0.04 2.03 1.92 2js7A1 PRO 152 HD2 -0.01 -0.00 0.22 -0.04 3.68 3.85 2js7A1 PRO 152 HD3 -0.08 0.34 0.31 -0.04 3.65 4.18 2js7A1 LEU 153 H 0.01 0.25 0.27 -0.55 8.37 8.36 2js7A1 LEU 153 HA 0.05 0.12 0.42 -0.75 4.35 4.18 2js7A1 LEU 153 HB2 0.20 -0.12 0.06 -0.04 1.64 1.74 2js7A1 LEU 153 HB3 0.08 0.02 0.02 -0.04 1.64 1.72 2js7A1 LEU 153 HG 0.08 -0.07 -0.09 -0.04 1.64 1.52 2js7A1 LEU 153 HD13 0.12 0.00 -0.01 -0.04 0.93 1.00 2js7A1 LEU 153 HD23 0.07 0.11 -0.01 -0.04 0.89 1.02 2js7A1 GLU 154 H 0.18 0.12 0.31 -0.55 8.60 8.66 2js7A1 GLU 154 HA -0.02 0.12 0.22 -0.75 4.29 3.86 2js7A1 GLU 154 HB2 -0.22 -0.07 0.16 -0.04 2.09 1.93 2js7A1 GLU 154 HB3 -0.03 0.16 0.01 -0.04 1.99 2.09 2js7A1 GLU 154 HG2 -0.00 0.01 -0.13 -0.04 2.34 2.17 2js7A1 GLU 154 HG3 -0.09 -0.03 -0.01 -0.04 2.34 2.17 2js7A1 HIS 155 H 0.26 0.71 0.12 -0.55 8.41 8.95 2js7A1 HIS 155 HA -0.04 -0.02 0.49 -0.75 4.63 4.32 2js7A1 HIS 155 HB2 0.09 0.03 0.22 -0.04 3.26 3.56 2js7A1 HIS 155 HB3 0.31 -0.04 0.01 -0.04 3.20 3.44 2js7A1 HIS 155 HD2 0.09 -0.04 0.01 -0.04 6.97 6.99 2js7A1 HIS 155 HE1 0.02 -0.00 -0.06 -0.04 7.75 7.67 2js7A1 HIS 156 H -0.13 0.15 0.22 -0.55 8.41 8.09 2js7A1 HIS 156 HA -0.15 0.19 0.21 -0.75 4.63 4.12 2js7A1 HIS 156 HB2 -0.12 -0.09 0.20 -0.04 3.26 3.21 2js7A1 HIS 156 HB3 -0.09 0.01 0.01 -0.04 3.20 3.09 2js7A1 HIS 156 HD2 -0.05 -0.09 0.11 -0.04 6.97 6.89 2js7A1 HIS 156 HE1 0.00 -0.08 0.01 -0.04 7.75 7.64 2js7A1 HIS 157 H -0.00 0.36 0.31 -0.55 8.41 8.53 2js7A1 HIS 157 HA -0.03 0.18 0.80 -0.75 4.63 4.82 2js7A1 HIS 157 HB2 0.03 0.03 0.09 -0.04 3.26 3.38 2js7A1 HIS 157 HB3 -0.01 -0.05 -0.02 -0.04 3.20 3.08 2js7A1 HIS 157 HD2 0.01 -0.04 -0.00 -0.04 6.97 6.88 2js7A1 HIS 157 HE1 0.10 -0.02 -0.09 -0.04 7.75 7.70 2js7A1 HIS 158 H 0.04 0.16 0.09 -0.55 8.41 8.16 2js7A1 HIS 158 HA -0.23 0.06 0.50 -0.75 4.63 4.21 2js7A1 HIS 158 HB2 -0.09 -0.01 0.09 -0.04 3.26 3.21 2js7A1 HIS 158 HB3 -0.06 0.04 0.12 -0.04 3.20 3.25 2js7A1 HIS 158 HD2 0.02 0.04 0.08 -0.04 6.97 7.07 2js7A1 HIS 158 HE1 0.06 -0.01 -0.02 -0.04 7.75 7.74 2js7A1 HIS 159 H -0.28 0.39 0.26 -0.55 8.41 8.24 2js7A1 HIS 159 HA -0.22 0.01 0.35 -0.75 4.63 4.02 2js7A1 HIS 159 HB2 0.01 0.06 0.18 -0.04 3.26 3.48 2js7A1 HIS 159 HB3 -0.10 -0.02 0.02 -0.04 3.20 3.05 2js7A1 HIS 159 HD2 -0.04 0.01 0.03 -0.04 6.97 6.93 2js7A1 HIS 159 HE1 0.03 0.00 -0.04 -0.04 7.75 7.69 2js7A1 HIS 160 H 0.07 0.43 0.18 -0.55 8.41 8.54 2js7A1 HIS 160 HA -0.01 0.19 0.35 -0.75 4.63 4.40 2js7A1 HIS 160 HB2 0.04 -0.01 -0.01 -0.04 3.26 3.24 2js7A1 HIS 160 HB3 -0.02 0.00 0.02 -0.04 3.20 3.16 2js7A1 HIS 160 HD2 0.03 -0.03 -0.15 -0.04 6.97 6.78 2js7A1 HIS 160 HE1 -0.02 -0.04 -0.02 -0.04 7.75 7.63