============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 4 0.900 -4.997 -12.556 9.956 -99.200 -91.000 TRP 19 1.040 5.981 -5.304 -9.757 -99.200 -91.000 TRP6 19 1.020 5.219 -7.184 -8.557 -99.200 -91.000 TRP 28 1.040 4.137 3.545 -3.094 -99.200 -91.000 TRP6 28 1.020 4.880 2.337 -1.209 -99.200 -91.000 PHE 32 1.000 -3.297 5.151 0.793 -99.200 -91.000 TYR 35 0.840 0.558 6.082 3.663 -99.200 -91.000 PHE 50 1.000 7.776 1.531 2.746 -99.200 -91.000 HIS 55 0.900 -1.229 14.777 9.912 -99.200 -91.000 TRP 63 1.040 2.368 11.935 14.644 -99.200 -91.000 TRP6 63 1.020 0.151 12.355 13.984 -99.200 -91.000 TRP 65 1.040 4.727 4.454 9.750 -99.200 -91.000 TRP6 65 1.020 3.174 5.862 10.835 -99.200 -91.000 PHE 88 1.000 -2.673 0.292 13.318 -99.200 -91.000 TYR 90 0.840 3.439 -8.755 12.612 -99.200 -91.000 TRP 95 1.040 1.001 -3.640 -0.880 -99.200 -91.000 TRP6 95 1.020 1.953 -1.852 -2.088 -99.200 -91.000 TYR 97 0.840 0.389 -6.318 -6.889 -99.200 -91.000 TRP 108 1.040 -3.139 -2.660 -1.105 -99.200 -91.000 TRP6 108 1.020 -2.081 -0.887 0.038 -99.200 -91.000 PHE 112 1.000 -5.433 -4.714 11.020 -99.200 -91.000 TRP 124 1.040 -15.176 -1.825 17.253 -99.200 -91.000 TRP6 124 1.020 -17.304 -0.993 16.664 -99.200 -91.000 HIS 162 0.900 12.551 0.867 -34.488 -99.200 -91.000 HIS 163 0.900 21.005 -0.454 -33.616 -99.200 -91.000 HIS 164 0.900 21.239 7.505 -39.348 -99.200 -91.000 HIS 165 0.900 23.591 -0.578 -42.407 -99.200 -91.000 HIS 166 0.900 17.297 -0.730 -39.549 -99.200 -91.000 HIS 167 0.900 14.959 5.151 -46.872 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kf2A4 MET 1 HA -0.00 -0.08 0.25 -0.75 4.52 3.93 2kf2A4 MET 1 HB2 0.00 0.02 0.12 -0.04 2.15 2.25 2kf2A4 MET 1 HB3 -0.00 -0.09 -0.02 -0.04 2.03 1.88 2kf2A4 MET 1 HG2 -0.00 -0.01 0.05 -0.04 2.63 2.63 2kf2A4 MET 1 HG3 -0.00 0.03 0.05 -0.04 2.56 2.60 2kf2A4 MET 1 HE3 -0.00 0.01 0.02 -0.04 2.10 2.08 2kf2A4 ALA 2 H -0.02 0.21 0.16 -0.55 8.40 8.20 2kf2A4 ALA 2 HA -0.10 0.05 0.87 -0.75 4.34 4.40 2kf2A4 ALA 2 HB3 -0.22 0.09 -0.07 -0.04 1.41 1.17 2kf2A4 GLY 3 H -0.41 0.27 0.26 -0.55 8.43 8.00 2kf2A4 GLY 3 HA2 -0.32 0.05 0.56 -0.51 4.01 3.78 2kf2A4 GLY 3 HA3 -1.18 -0.03 0.38 -0.51 4.01 2.67 2kf2A4 HIS 4 H -0.16 0.33 0.19 -0.55 8.41 8.22 2kf2A4 HIS 4 HA -0.16 0.32 0.97 -0.75 4.63 5.00 2kf2A4 HIS 4 HB2 -0.08 -0.00 0.20 -0.04 3.26 3.35 2kf2A4 HIS 4 HB3 -0.04 -0.01 0.05 -0.04 3.20 3.15 2kf2A4 HIS 4 HD2 -0.02 0.03 -0.08 -0.04 6.97 6.85 2kf2A4 HIS 4 HE1 -0.05 0.01 -0.07 -0.04 7.75 7.60 2kf2A4 THR 5 H 0.01 0.60 0.13 -0.55 8.28 8.48 2kf2A4 THR 5 HA 0.09 0.12 0.78 -0.75 4.39 4.63 2kf2A4 THR 5 HB 0.32 -0.02 0.18 -0.04 4.32 4.76 2kf2A4 THR 5 HG23 0.14 -0.00 -0.11 -0.04 1.22 1.21 2kf2A4 ASP 6 H 0.07 0.22 0.11 -0.55 8.40 8.25 2kf2A4 ASP 6 HA 0.11 0.20 0.85 -0.75 4.63 5.03 2kf2A4 ASP 6 HB2 0.05 -0.00 -0.04 -0.04 2.71 2.67 2kf2A4 ASP 6 HB3 0.06 0.01 -0.04 -0.04 2.70 2.69 2kf2A4 ASN 7 H 0.14 0.80 0.06 -0.55 8.53 8.99 2kf2A4 ASN 7 HA 0.02 0.13 0.79 -0.75 4.76 4.94 2kf2A4 ASN 7 HB2 0.08 0.03 0.25 -0.04 2.88 3.20 2kf2A4 ASN 7 HB3 -0.08 0.01 0.03 -0.04 2.79 2.70 2kf2A4 ASN 7 HD21 0.08 -0.01 -0.01 -0.04 7.03 7.04 2kf2A4 ASN 7 HD22 0.08 -0.06 -0.27 -0.04 7.74 7.46 2kf2A4 GLU 8 H 0.01 0.29 0.05 -0.55 8.60 8.41 2kf2A4 GLU 8 HA 0.02 0.22 0.78 -0.75 4.29 4.56 2kf2A4 GLU 8 HB2 0.01 -0.00 0.10 -0.04 2.09 2.15 2kf2A4 GLU 8 HB3 0.02 -0.00 -0.14 -0.04 1.99 1.83 2kf2A4 GLU 8 HG2 0.03 -0.02 -0.24 -0.04 2.34 2.08 2kf2A4 GLU 8 HG3 0.03 0.07 -0.24 -0.04 2.34 2.16 2kf2A4 ILE 9 H -0.04 0.71 0.20 -0.55 8.25 8.57 2kf2A4 ILE 9 HA -0.04 0.16 0.96 -0.75 4.18 4.50 2kf2A4 ILE 9 HB -0.12 0.00 -0.12 -0.04 1.89 1.61 2kf2A4 ILE 9 HG12 -0.07 0.03 -0.38 -0.04 1.49 1.03 2kf2A4 ILE 9 HG13 -0.07 -0.03 0.01 -0.04 1.21 1.08 2kf2A4 ILE 9 HG23 -0.17 0.02 0.03 -0.04 0.93 0.77 2kf2A4 ILE 9 HD13 -0.13 0.02 -0.18 -0.04 0.88 0.54 2kf2A4 THR 10 H -0.02 0.17 0.07 -0.55 8.28 7.95 2kf2A4 THR 10 HA 0.02 0.12 0.66 -0.75 4.39 4.43 2kf2A4 THR 10 HB -0.00 0.00 0.08 -0.04 4.32 4.35 2kf2A4 THR 10 HG23 0.02 0.01 -0.32 -0.04 1.22 0.88 2kf2A4 ILE 11 H 0.03 0.80 0.40 -0.55 8.25 8.94 2kf2A4 ILE 11 HA -0.01 0.12 0.73 -0.75 4.18 4.26 2kf2A4 ILE 11 HB 0.05 -0.02 0.21 -0.04 1.89 2.09 2kf2A4 ILE 11 HG12 0.02 0.12 0.16 -0.04 1.49 1.74 2kf2A4 ILE 11 HG13 0.04 -0.03 0.03 -0.04 1.21 1.20 2kf2A4 ILE 11 HG23 0.02 -0.01 -0.03 -0.04 0.93 0.87 2kf2A4 ILE 11 HD13 -0.05 0.00 -0.10 -0.04 0.88 0.68 2kf2A4 ALA 12 H 0.00 0.19 0.11 -0.55 8.40 8.15 2kf2A4 ALA 12 HA 0.01 0.13 0.38 -0.75 4.34 4.11 2kf2A4 ALA 12 HB3 0.00 0.01 0.13 -0.04 1.41 1.52 2kf2A4 ALA 13 H 0.03 0.28 -0.81 -0.55 8.40 7.35 2kf2A4 ALA 13 HA 0.03 0.25 0.79 -0.75 4.34 4.64 2kf2A4 ALA 13 HB3 0.03 -0.00 -0.11 -0.04 1.41 1.29 2kf2A4 PRO 14 HA 0.05 0.14 0.44 -0.51 4.44 4.55 2kf2A4 PRO 14 HB2 0.03 -0.15 0.05 -0.04 2.28 2.17 2kf2A4 PRO 14 HB3 0.03 0.18 0.10 -0.04 2.02 2.28 2kf2A4 PRO 14 HG2 0.03 -0.14 0.10 -0.04 2.03 1.98 2kf2A4 PRO 14 HG3 0.02 0.15 0.10 -0.04 2.03 2.26 2kf2A4 PRO 14 HD2 0.03 0.13 0.26 -0.04 3.68 4.05 2kf2A4 PRO 14 HD3 0.03 0.28 0.16 -0.04 3.65 4.08 2kf2A4 MET 15 H 0.05 0.24 0.12 -0.55 8.47 8.34 2kf2A4 MET 15 HA 0.08 0.07 0.25 -0.75 4.52 4.17 2kf2A4 MET 15 HB2 0.04 0.04 0.05 -0.04 2.15 2.23 2kf2A4 MET 15 HB3 0.08 0.05 0.04 -0.04 2.03 2.16 2kf2A4 MET 15 HG2 0.14 0.01 -0.04 -0.04 2.63 2.69 2kf2A4 MET 15 HG3 0.09 -0.03 0.05 -0.04 2.56 2.63 2kf2A4 MET 15 HE3 0.18 0.02 0.01 -0.04 2.10 2.27 2kf2A4 GLU 16 H 0.04 0.02 -0.54 -0.55 8.60 7.58 2kf2A4 GLU 16 HA 0.03 0.10 0.33 -0.75 4.29 3.99 2kf2A4 GLU 16 HB2 0.03 -0.05 0.06 -0.04 2.09 2.09 2kf2A4 GLU 16 HB3 0.02 0.09 -0.01 -0.04 1.99 2.04 2kf2A4 GLU 16 HG2 -0.00 0.07 0.01 -0.04 2.34 2.37 2kf2A4 GLU 16 HG3 0.01 -0.14 0.02 -0.04 2.34 2.19 2kf2A4 LEU 17 H 0.05 0.18 -0.09 -0.55 8.37 7.97 2kf2A4 LEU 17 HA 0.07 0.13 0.47 -0.75 4.35 4.27 2kf2A4 LEU 17 HB2 0.05 0.00 0.04 -0.04 1.64 1.70 2kf2A4 LEU 17 HB3 0.06 0.05 -0.02 -0.04 1.64 1.68 2kf2A4 LEU 17 HG 0.04 0.21 0.13 -0.04 1.64 1.97 2kf2A4 LEU 17 HD13 0.04 -0.03 -0.20 -0.04 0.93 0.70 2kf2A4 LEU 17 HD23 0.03 -0.07 0.08 -0.04 0.89 0.89 2kf2A4 VAL 18 H 0.08 0.35 -0.29 -0.55 8.24 7.82 2kf2A4 VAL 18 HA 0.09 0.06 0.31 -0.75 4.13 3.83 2kf2A4 VAL 18 HB 0.08 -0.07 0.03 -0.04 2.12 2.12 2kf2A4 VAL 18 HG13 0.12 -0.00 -0.20 -0.04 0.97 0.86 2kf2A4 VAL 18 HG23 0.08 0.07 -0.18 -0.04 0.95 0.89 2kf2A4 TRP 19 H 0.20 0.75 -0.09 -0.55 7.97 8.28 2kf2A4 TRP 19 HA -0.05 0.00 0.36 -0.75 4.62 4.18 2kf2A4 TRP 19 HB2 -0.17 0.04 0.10 -0.04 3.23 3.15 2kf2A4 TRP 19 HB3 -0.05 0.08 0.03 -0.04 3.23 3.25 2kf2A4 TRP 19 HD1 0.01 0.02 -0.24 -0.04 7.22 6.97 2kf2A4 TRP 19 HE1 0.02 0.01 -0.11 -0.04 10.20 10.08 2kf2A4 TRP 19 HE3 -0.46 -0.01 -0.06 -0.04 7.59 7.02 2kf2A4 TRP 19 HZ2 0.04 -0.06 -0.37 -0.04 7.44 7.01 2kf2A4 TRP 19 HZ3 0.06 0.18 -0.19 -0.04 7.13 7.14 2kf2A4 TRP 19 HH2 0.10 -0.02 -0.33 -0.04 7.19 6.90 2kf2A4 THR 20 H 0.22 0.38 -0.30 -0.55 8.28 8.04 2kf2A4 THR 20 HA 0.20 -0.01 0.31 -0.75 4.39 4.13 2kf2A4 THR 20 HB 0.11 0.11 0.27 -0.04 4.32 4.77 2kf2A4 THR 20 HG23 0.08 0.00 -0.15 -0.04 1.22 1.11 2kf2A4 MET 21 H 0.13 0.42 -0.48 -0.55 8.47 8.00 2kf2A4 MET 21 HA 0.12 0.10 0.67 -0.75 4.52 4.66 2kf2A4 MET 21 HB2 0.11 0.06 0.11 -0.04 2.15 2.39 2kf2A4 MET 21 HB3 0.12 -0.04 -0.03 -0.04 2.03 2.04 2kf2A4 MET 21 HG2 0.08 0.09 -0.05 -0.04 2.63 2.72 2kf2A4 MET 21 HG3 0.07 -0.05 -0.02 -0.04 2.56 2.53 2kf2A4 MET 21 HE3 0.08 0.00 -0.01 -0.04 2.10 2.13 2kf2A4 THR 22 H 0.13 0.65 0.06 -0.55 8.28 8.57 2kf2A4 THR 22 HA 0.39 0.07 0.31 -0.75 4.39 4.41 2kf2A4 THR 22 HB 0.50 -0.07 -0.04 -0.04 4.32 4.67 2kf2A4 THR 22 HG23 0.11 -0.00 -0.04 -0.04 1.22 1.25 2kf2A4 ASN 23 H 0.10 0.55 -0.28 -0.55 8.53 8.36 2kf2A4 ASN 23 HA 0.02 0.00 0.40 -0.75 4.76 4.43 2kf2A4 ASN 23 HB2 0.03 0.04 0.03 -0.04 2.88 2.95 2kf2A4 ASN 23 HB3 0.16 0.06 -0.06 -0.04 2.79 2.91 2kf2A4 ASN 23 HD21 0.22 0.04 -0.09 -0.04 7.03 7.16 2kf2A4 ASN 23 HD22 0.17 -0.03 -0.05 -0.04 7.74 7.79 2kf2A4 ASP 24 H 0.14 0.27 -0.64 -0.55 8.40 7.62 2kf2A4 ASP 24 HA -0.05 0.02 0.62 -0.75 4.63 4.47 2kf2A4 ASP 24 HB2 0.06 0.18 0.11 -0.04 2.71 3.03 2kf2A4 ASP 24 HB3 0.08 0.09 0.21 -0.04 2.70 3.04 2kf2A4 ILE 25 H -0.33 0.28 0.16 -0.55 8.25 7.82 2kf2A4 ILE 25 HA -2.27 0.16 0.21 -0.75 4.18 1.53 2kf2A4 ILE 25 HB -1.72 -0.04 0.02 -0.04 1.89 0.12 2kf2A4 ILE 25 HG12 -0.37 0.00 0.08 -0.04 1.49 1.16 2kf2A4 ILE 25 HG13 -0.44 0.05 -0.23 -0.04 1.21 0.54 2kf2A4 ILE 25 HG23 -0.81 0.07 -0.02 -0.04 0.93 0.13 2kf2A4 ILE 25 HD13 -0.29 -0.01 -0.13 -0.04 0.88 0.41 2kf2A4 GLU 26 H -0.26 0.08 -0.33 -0.55 8.60 7.54 2kf2A4 GLU 26 HA -0.16 0.16 0.50 -0.75 4.29 4.04 2kf2A4 GLU 26 HB2 -0.07 0.02 0.00 -0.04 2.09 2.00 2kf2A4 GLU 26 HB3 -0.05 0.03 0.13 -0.04 1.99 2.06 2kf2A4 GLU 26 HG2 -0.12 0.09 0.05 -0.04 2.34 2.32 2kf2A4 GLU 26 HG3 -0.15 -0.09 0.04 -0.04 2.34 2.10 2kf2A4 LYS 27 H -0.07 0.38 -0.54 -0.55 8.42 7.63 2kf2A4 LYS 27 HA 0.09 0.15 0.75 -0.75 4.32 4.56 2kf2A4 LYS 27 HB2 0.15 0.30 0.09 -0.04 1.87 2.37 2kf2A4 LYS 27 HB3 0.14 -0.04 0.10 -0.04 1.79 1.95 2kf2A4 LYS 27 HG2 0.06 0.00 -0.04 -0.04 1.46 1.44 2kf2A4 LYS 27 HG3 0.03 -0.12 -0.15 -0.04 1.46 1.18 2kf2A4 LYS 27 HD2 0.07 0.07 0.05 -0.04 1.69 1.84 2kf2A4 LYS 27 HD3 0.08 0.00 0.02 -0.04 1.68 1.74 2kf2A4 LYS 27 HE2 0.05 0.02 -0.01 -0.04 2.99 3.01 2kf2A4 LYS 27 HE3 0.04 -0.01 -0.02 -0.04 2.99 2.96 2kf2A4 TRP 28 H 0.16 0.25 -0.31 -0.55 7.97 7.51 2kf2A4 TRP 28 HA 0.15 0.03 0.35 -0.75 4.62 4.40 2kf2A4 TRP 28 HB2 0.04 0.13 0.13 -0.04 3.23 3.49 2kf2A4 TRP 28 HB3 0.14 -0.07 -0.02 -0.04 3.23 3.24 2kf2A4 TRP 28 HD1 0.11 0.01 -0.11 -0.04 7.22 7.19 2kf2A4 TRP 28 HE1 0.15 0.49 -0.13 -0.04 10.20 10.67 2kf2A4 TRP 28 HE3 -0.23 -0.02 -0.04 -0.04 7.59 7.26 2kf2A4 TRP 28 HZ2 -0.34 0.07 -0.06 -0.04 7.44 7.06 2kf2A4 TRP 28 HZ3 -1.06 -0.04 -0.08 -0.04 7.13 5.91 2kf2A4 TRP 28 HH2 -1.00 -0.05 -0.07 -0.04 7.19 6.02 2kf2A4 PRO 29 HA 0.29 0.19 0.30 -0.51 4.44 4.72 2kf2A4 PRO 29 HB2 0.12 0.03 -0.11 -0.04 2.28 2.27 2kf2A4 PRO 29 HB3 0.16 0.27 -0.09 -0.04 2.02 2.32 2kf2A4 PRO 29 HG2 0.10 0.00 0.02 -0.04 2.03 2.11 2kf2A4 PRO 29 HG3 0.19 -0.06 -0.16 -0.04 2.03 1.96 2kf2A4 PRO 29 HD2 0.15 0.21 -0.32 -0.04 3.68 3.68 2kf2A4 PRO 29 HD3 0.25 0.12 0.06 -0.04 3.65 4.04 2kf2A4 GLY 30 H 0.17 0.14 -0.65 -0.55 8.43 7.55 2kf2A4 GLY 30 HA2 0.09 0.06 0.39 -0.51 4.01 4.04 2kf2A4 GLY 30 HA3 0.10 0.01 0.21 -0.51 4.01 3.82 2kf2A4 LEU 31 H 0.18 0.31 -0.15 -0.55 8.37 8.18 2kf2A4 LEU 31 HA 0.05 0.10 0.57 -0.75 4.35 4.31 2kf2A4 LEU 31 HB2 0.16 0.07 0.13 -0.04 1.64 1.95 2kf2A4 LEU 31 HB3 0.04 -0.10 -0.04 -0.04 1.64 1.49 2kf2A4 LEU 31 HG 0.05 -0.04 -0.06 -0.04 1.64 1.54 2kf2A4 LEU 31 HD13 0.12 0.02 -0.10 -0.04 0.93 0.92 2kf2A4 LEU 31 HD23 0.08 -0.01 -0.12 -0.04 0.89 0.80 2kf2A4 PHE 32 H 0.30 0.83 0.09 -0.55 8.34 9.01 2kf2A4 PHE 32 HA -0.01 0.08 0.69 -0.75 4.62 4.63 2kf2A4 PHE 32 HB2 0.06 -0.02 0.01 -0.04 3.15 3.17 2kf2A4 PHE 32 HB3 0.30 -0.05 0.05 -0.04 3.06 3.32 2kf2A4 PHE 32 HD2 -0.05 0.02 -0.34 -0.04 7.28 6.86 2kf2A4 PHE 32 HE2 -0.28 0.01 -0.13 -0.04 7.38 6.94 2kf2A4 PHE 32 HZ -0.11 -0.02 -0.09 -0.04 7.32 7.06 2kf2A4 SER 33 H 0.09 0.19 0.02 -0.55 8.46 8.22 2kf2A4 SER 33 HA 0.14 0.28 0.49 -0.75 4.49 4.65 2kf2A4 SER 33 HB2 0.03 -0.07 0.19 -0.04 3.95 4.05 2kf2A4 SER 33 HB3 0.04 -0.01 0.05 -0.04 3.93 3.97 2kf2A4 GLU 34 H 0.12 0.41 0.11 -0.55 8.60 8.69 2kf2A4 GLU 34 HA -0.01 0.09 0.41 -0.75 4.29 4.02 2kf2A4 GLU 34 HB2 0.08 0.11 -0.15 -0.04 2.09 2.09 2kf2A4 GLU 34 HB3 -0.60 -0.06 -0.13 -0.04 1.99 1.16 2kf2A4 GLU 34 HG2 -0.28 -0.03 -0.25 -0.04 2.34 1.75 2kf2A4 GLU 34 HG3 -0.02 0.01 0.03 -0.04 2.34 2.31 2kf2A4 TYR 35 H -0.18 0.15 0.08 -0.55 8.29 7.79 2kf2A4 TYR 35 HA 0.07 0.05 0.63 -0.75 4.56 4.57 2kf2A4 TYR 35 HB2 0.11 0.04 -0.01 -0.04 3.06 3.16 2kf2A4 TYR 35 HB3 0.09 0.03 -0.03 -0.04 2.98 3.03 2kf2A4 TYR 35 HD2 -0.00 0.06 -0.08 -0.04 7.15 7.09 2kf2A4 TYR 35 HE2 -0.60 0.00 -0.09 -0.04 6.85 6.12 2kf2A4 ALA 36 H 0.13 0.25 0.35 -0.55 8.40 8.58 2kf2A4 ALA 36 HA 0.07 0.06 0.36 -0.75 4.34 4.08 2kf2A4 ALA 36 HB3 0.03 0.01 -0.02 -0.04 1.41 1.40 2kf2A4 SER 37 H 0.09 0.36 0.10 -0.55 8.46 8.46 2kf2A4 SER 37 HA 0.08 0.12 0.40 -0.75 4.49 4.33 2kf2A4 SER 37 HB2 0.02 0.18 -0.20 -0.04 3.95 3.91 2kf2A4 SER 37 HB3 0.01 -0.08 -0.09 -0.04 3.93 3.73 2kf2A4 VAL 38 H 0.02 0.24 0.08 -0.55 8.24 8.04 2kf2A4 VAL 38 HA 0.04 0.15 0.96 -0.75 4.13 4.52 2kf2A4 VAL 38 HB -0.17 0.10 0.18 -0.04 2.12 2.19 2kf2A4 VAL 38 HG13 -0.49 -0.03 -0.19 -0.04 0.97 0.22 2kf2A4 VAL 38 HG23 0.18 -0.01 -0.08 -0.04 0.95 1.01 2kf2A4 GLU 39 H 0.01 0.62 0.19 -0.55 8.60 8.87 2kf2A4 GLU 39 HA -0.03 0.12 0.64 -0.75 4.29 4.25 2kf2A4 GLU 39 HB2 -0.02 0.05 0.15 -0.04 2.09 2.24 2kf2A4 GLU 39 HB3 -0.02 0.04 -0.06 -0.04 1.99 1.91 2kf2A4 GLU 39 HG2 -0.02 -0.02 -0.14 -0.04 2.34 2.12 2kf2A4 GLU 39 HG3 -0.02 0.01 -0.06 -0.04 2.34 2.23 2kf2A4 VAL 40 H -0.04 0.19 0.17 -0.55 8.24 8.01 2kf2A4 VAL 40 HA -0.02 0.10 0.74 -0.75 4.13 4.19 2kf2A4 VAL 40 HB -0.04 0.01 0.20 -0.04 2.12 2.25 2kf2A4 VAL 40 HG13 -0.03 0.01 -0.08 -0.04 0.97 0.83 2kf2A4 VAL 40 HG23 -0.08 0.01 0.04 -0.04 0.95 0.88 2kf2A4 LEU 41 H -0.01 0.42 0.46 -0.55 8.37 8.71 2kf2A4 LEU 41 HA -0.02 0.10 0.62 -0.75 4.35 4.31 2kf2A4 LEU 41 HB2 -0.03 -0.05 -0.01 -0.04 1.64 1.51 2kf2A4 LEU 41 HB3 -0.03 0.06 -0.06 -0.04 1.64 1.58 2kf2A4 LEU 41 HG -0.02 -0.00 -0.07 -0.04 1.64 1.50 2kf2A4 LEU 41 HD13 -0.02 0.00 0.02 -0.04 0.93 0.90 2kf2A4 LEU 41 HD23 -0.03 -0.02 -0.09 -0.04 0.89 0.71 2kf2A4 GLY 42 H -0.01 0.38 0.21 -0.55 8.43 8.47 2kf2A4 GLY 42 HA2 -0.01 0.06 0.24 -0.51 4.01 3.79 2kf2A4 GLY 42 HA3 -0.01 0.12 0.57 -0.51 4.01 4.18 2kf2A4 ARG 43 H -0.01 0.25 0.16 -0.55 8.46 8.31 2kf2A4 ARG 43 HA -0.00 -0.04 0.95 -0.75 4.34 4.50 2kf2A4 ARG 43 HB2 -0.00 -0.06 0.15 -0.04 1.90 1.95 2kf2A4 ARG 43 HB3 -0.00 0.25 0.01 -0.04 1.80 2.02 2kf2A4 ARG 43 HG2 -0.01 -0.03 0.19 -0.04 1.67 1.78 2kf2A4 ARG 43 HG3 -0.01 -0.09 -0.24 -0.04 1.67 1.29 2kf2A4 ARG 43 HD2 -0.02 -0.02 -0.02 -0.04 3.22 3.12 2kf2A4 ARG 43 HD3 -0.01 -0.05 -0.01 -0.04 3.22 3.11 2kf2A4 ASP 44 H -0.00 0.14 -0.18 -0.55 8.40 7.81 2kf2A4 ASP 44 HA -0.00 0.16 0.73 -0.75 4.63 4.76 2kf2A4 ASP 44 HB2 -0.01 0.02 0.02 -0.04 2.71 2.71 2kf2A4 ASP 44 HB3 -0.00 -0.05 0.14 -0.04 2.70 2.75 2kf2A4 ASP 45 H 0.00 0.55 -0.18 -0.55 8.40 8.22 2kf2A4 ASP 45 HA 0.00 0.07 0.36 -0.75 4.63 4.31 2kf2A4 ASP 45 HB2 0.00 0.00 -0.04 -0.04 2.71 2.63 2kf2A4 ASP 45 HB3 0.01 -0.05 0.13 -0.04 2.70 2.75 2kf2A4 ASP 46 H 0.01 0.29 0.47 -0.55 8.40 8.62 2kf2A4 ASP 46 HA 0.02 0.13 0.56 -0.75 4.63 4.59 2kf2A4 ASP 46 HB2 0.03 0.01 0.16 -0.04 2.71 2.86 2kf2A4 ASP 46 HB3 0.02 -0.04 0.13 -0.04 2.70 2.76 2kf2A4 LYS 47 H 0.01 0.37 -0.34 -0.55 8.42 7.91 2kf2A4 LYS 47 HA 0.01 0.19 0.90 -0.75 4.32 4.67 2kf2A4 LYS 47 HB2 0.00 -0.13 -0.02 -0.04 1.87 1.68 2kf2A4 LYS 47 HB3 0.00 0.04 -0.01 -0.04 1.79 1.79 2kf2A4 LYS 47 HG2 0.01 0.01 -0.08 -0.04 1.46 1.35 2kf2A4 LYS 47 HG3 0.01 -0.01 0.01 -0.04 1.46 1.44 2kf2A4 LYS 47 HD2 -0.00 -0.03 0.01 -0.04 1.69 1.62 2kf2A4 LYS 47 HD3 -0.00 0.00 -0.05 -0.04 1.68 1.59 2kf2A4 LYS 47 HE2 0.00 -0.00 -0.01 -0.04 2.99 2.95 2kf2A4 LYS 47 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.94 2kf2A4 VAL 48 H 0.01 0.68 0.33 -0.55 8.24 8.72 2kf2A4 VAL 48 HA 0.00 0.10 1.05 -0.75 4.13 4.53 2kf2A4 VAL 48 HB -0.02 0.06 -0.01 -0.04 2.12 2.11 2kf2A4 VAL 48 HG13 -0.04 0.02 0.15 -0.04 0.97 1.06 2kf2A4 VAL 48 HG23 -0.04 -0.00 -0.08 -0.04 0.95 0.78 2kf2A4 THR 49 H 0.01 0.62 0.39 -0.55 8.28 8.76 2kf2A4 THR 49 HA -0.00 0.17 1.08 -0.75 4.39 4.89 2kf2A4 THR 49 HB -0.02 -0.02 0.03 -0.04 4.32 4.27 2kf2A4 THR 49 HG23 -0.07 0.01 -0.13 -0.04 1.22 0.98 2kf2A4 PHE 50 H -0.19 0.64 0.46 -0.55 8.34 8.70 2kf2A4 PHE 50 HA -0.09 0.14 1.19 -0.75 4.62 5.10 2kf2A4 PHE 50 HB2 -0.18 0.03 -0.09 -0.04 3.15 2.87 2kf2A4 PHE 50 HB3 -0.22 -0.02 -0.14 -0.04 3.06 2.64 2kf2A4 PHE 50 HD2 -0.05 0.03 -0.12 -0.04 7.28 7.09 2kf2A4 PHE 50 HE2 0.09 -0.02 -0.20 -0.04 7.38 7.22 2kf2A4 PHE 50 HZ 0.11 0.00 -0.17 -0.04 7.32 7.22 2kf2A4 ARG 51 H 0.03 0.85 0.36 -0.55 8.46 9.15 2kf2A4 ARG 51 HA -0.11 0.16 1.08 -0.75 4.34 4.71 2kf2A4 ARG 51 HB2 -0.05 -0.03 -0.04 -0.04 1.90 1.74 2kf2A4 ARG 51 HB3 -0.03 0.00 0.11 -0.04 1.80 1.84 2kf2A4 ARG 51 HG2 -0.08 0.00 -0.47 -0.04 1.67 1.09 2kf2A4 ARG 51 HG3 -0.06 -0.03 -0.32 -0.04 1.67 1.22 2kf2A4 ARG 51 HD2 -0.03 -0.01 -0.12 -0.04 3.22 3.02 2kf2A4 ARG 51 HD3 -0.03 -0.00 -0.11 -0.04 3.22 3.03 2kf2A4 LEU 52 H -0.11 0.62 0.26 -0.55 8.37 8.59 2kf2A4 LEU 52 HA 0.01 0.16 0.82 -0.75 4.35 4.59 2kf2A4 LEU 52 HB2 -0.45 0.02 0.23 -0.04 1.64 1.39 2kf2A4 LEU 52 HB3 -0.15 0.01 -0.01 -0.04 1.64 1.45 2kf2A4 LEU 52 HG 0.40 -0.02 -0.05 -0.04 1.64 1.93 2kf2A4 LEU 52 HD13 0.38 -0.00 -0.06 -0.04 0.93 1.21 2kf2A4 LEU 52 HD23 0.10 0.00 -0.05 -0.04 0.89 0.91 2kf2A4 THR 53 H -0.05 0.52 0.35 -0.55 8.28 8.55 2kf2A4 THR 53 HA -0.19 0.15 0.96 -0.75 4.39 4.55 2kf2A4 THR 53 HB -0.06 0.08 -0.01 -0.04 4.32 4.28 2kf2A4 THR 53 HG23 -0.06 0.01 -0.11 -0.04 1.22 1.02 2kf2A4 MET 54 H -0.20 0.74 0.34 -0.55 8.47 8.81 2kf2A4 MET 54 HA 0.04 -0.03 0.99 -0.75 4.52 4.77 2kf2A4 MET 54 HB2 0.06 0.07 0.09 -0.04 2.15 2.33 2kf2A4 MET 54 HB3 0.21 -0.03 0.16 -0.04 2.03 2.32 2kf2A4 MET 54 HG2 -0.68 0.07 -0.20 -0.04 2.63 1.78 2kf2A4 MET 54 HG3 -0.24 -0.04 -0.09 -0.04 2.56 2.15 2kf2A4 MET 54 HE3 0.21 -0.00 -0.11 -0.04 2.10 2.16 2kf2A4 HIS 55 H 0.21 0.12 0.18 -0.55 8.41 8.38 2kf2A4 HIS 55 HA -0.16 0.10 0.52 -0.75 4.63 4.34 2kf2A4 HIS 55 HB2 -0.16 0.07 0.07 -0.04 3.26 3.20 2kf2A4 HIS 55 HB3 -0.08 -0.00 0.13 -0.04 3.20 3.22 2kf2A4 HIS 55 HD2 0.09 -0.00 0.13 -0.04 6.97 7.14 2kf2A4 HIS 55 HE1 0.07 -0.05 -0.03 -0.04 7.75 7.69 2kf2A4 PRO 56 HA -0.78 0.01 0.46 -0.51 4.44 3.62 2kf2A4 PRO 56 HB2 -0.23 0.09 -0.17 -0.04 2.28 1.92 2kf2A4 PRO 56 HB3 -0.25 0.03 -0.44 -0.04 2.02 1.32 2kf2A4 PRO 56 HG2 -0.13 0.03 0.02 -0.04 2.03 1.91 2kf2A4 PRO 56 HG3 -0.17 0.03 0.05 -0.04 2.03 1.89 2kf2A4 PRO 56 HD2 -0.13 0.08 0.16 -0.04 3.68 3.75 2kf2A4 PRO 56 HD3 -0.13 0.16 0.26 -0.04 3.65 3.89 2kf2A4 ASP 57 H -0.80 0.66 0.23 -0.55 8.40 7.95 2kf2A4 ASP 57 HA -0.40 0.15 0.55 -0.75 4.63 4.18 2kf2A4 ASP 57 HB2 0.43 0.14 0.19 -0.04 2.71 3.43 2kf2A4 ASP 57 HB3 0.04 -0.18 0.17 -0.04 2.70 2.68 2kf2A4 ALA 58 H 0.02 0.16 0.16 -0.55 8.40 8.20 2kf2A4 ALA 58 HA -0.03 0.16 0.36 -0.75 4.34 4.08 2kf2A4 ALA 58 HB3 0.02 0.01 0.09 -0.04 1.41 1.50 2kf2A4 ASP 59 H 0.02 -0.04 -0.36 -0.55 8.40 7.47 2kf2A4 ASP 59 HA 0.01 0.14 0.50 -0.75 4.63 4.52 2kf2A4 ASP 59 HB2 0.04 0.01 0.07 -0.04 2.71 2.79 2kf2A4 ASP 59 HB3 0.05 -0.12 0.03 -0.04 2.70 2.62 2kf2A4 GLY 60 H -0.06 0.23 -0.41 -0.55 8.43 7.65 2kf2A4 GLY 60 HA2 -0.08 0.10 0.18 -0.51 4.01 3.70 2kf2A4 GLY 60 HA3 -0.04 0.21 0.83 -0.51 4.01 4.50 2kf2A4 LYS 61 H -0.03 -0.06 -0.07 -0.55 8.42 7.71 2kf2A4 LYS 61 HA -0.00 0.12 0.52 -0.75 4.32 4.20 2kf2A4 LYS 61 HB2 0.15 -0.11 0.14 -0.04 1.87 2.00 2kf2A4 LYS 61 HB3 0.17 0.09 -0.04 -0.04 1.79 1.97 2kf2A4 LYS 61 HG2 0.06 0.07 -0.02 -0.04 1.46 1.53 2kf2A4 LYS 61 HG3 0.04 -0.02 -0.11 -0.04 1.46 1.34 2kf2A4 LYS 61 HD2 0.10 -0.07 -0.00 -0.04 1.69 1.67 2kf2A4 LYS 61 HD3 0.12 0.03 -0.01 -0.04 1.68 1.78 2kf2A4 LYS 61 HE2 0.06 -0.00 -0.01 -0.04 2.99 2.99 2kf2A4 LYS 61 HE3 0.06 0.03 -0.02 -0.04 2.99 3.01 2kf2A4 VAL 62 H -0.04 0.19 0.21 -0.55 8.24 8.05 2kf2A4 VAL 62 HA -0.31 0.04 0.53 -0.75 4.13 3.64 2kf2A4 VAL 62 HB -0.04 -0.04 0.13 -0.04 2.12 2.12 2kf2A4 VAL 62 HG13 -0.10 0.03 -0.15 -0.04 0.97 0.71 2kf2A4 VAL 62 HG23 -0.09 0.03 0.06 -0.04 0.95 0.91 2kf2A4 TRP 63 H -0.38 0.24 0.01 -0.55 7.97 7.29 2kf2A4 TRP 63 HA -0.00 0.07 0.58 -0.75 4.62 4.51 2kf2A4 TRP 63 HB2 -0.15 -0.01 0.08 -0.04 3.23 3.12 2kf2A4 TRP 63 HB3 0.11 -0.01 -0.01 -0.04 3.23 3.28 2kf2A4 TRP 63 HD1 0.01 -0.00 -0.28 -0.04 7.22 6.91 2kf2A4 TRP 63 HE1 -0.01 -0.09 0.03 -0.04 10.20 10.09 2kf2A4 TRP 63 HE3 -0.10 -0.07 0.00 -0.04 7.59 7.38 2kf2A4 TRP 63 HZ2 -0.03 -0.11 0.05 -0.04 7.44 7.30 2kf2A4 TRP 63 HZ3 -0.11 -0.02 -0.01 -0.04 7.13 6.94 2kf2A4 TRP 63 HH2 -0.02 -0.03 -0.01 -0.04 7.19 7.09 2kf2A4 SER 64 H 0.13 0.26 0.20 -0.55 8.46 8.51 2kf2A4 SER 64 HA -0.54 0.33 0.87 -0.75 4.49 4.41 2kf2A4 SER 64 HB2 -0.10 -0.01 -0.32 -0.04 3.95 3.48 2kf2A4 SER 64 HB3 -0.04 -0.03 -0.04 -0.04 3.93 3.78 2kf2A4 TRP 65 H -0.67 0.50 0.24 -0.55 7.97 7.49 2kf2A4 TRP 65 HA -0.00 0.13 0.88 -0.75 4.62 4.87 2kf2A4 TRP 65 HB2 -0.03 0.10 -0.04 -0.04 3.23 3.21 2kf2A4 TRP 65 HB3 0.01 0.04 -0.19 -0.04 3.23 3.05 2kf2A4 TRP 65 HD1 -0.04 -0.03 -0.10 -0.04 7.22 7.01 2kf2A4 TRP 65 HE1 0.11 -0.02 -0.05 -0.04 10.20 10.20 2kf2A4 TRP 65 HE3 0.06 0.05 -0.33 -0.04 7.59 7.33 2kf2A4 TRP 65 HZ2 0.23 -0.01 -0.09 -0.04 7.44 7.53 2kf2A4 TRP 65 HZ3 0.02 -0.01 -0.14 -0.04 7.13 6.96 2kf2A4 TRP 65 HH2 0.14 0.00 -0.09 -0.04 7.19 7.20 2kf2A4 VAL 66 H 0.10 0.14 0.19 -0.55 8.24 8.12 2kf2A4 VAL 66 HA -0.11 0.16 0.93 -0.75 4.13 4.36 2kf2A4 VAL 66 HB -0.02 -0.04 0.13 -0.04 2.12 2.15 2kf2A4 VAL 66 HG13 -0.10 0.01 -0.13 -0.04 0.97 0.71 2kf2A4 VAL 66 HG23 -0.02 0.01 -0.02 -0.04 0.95 0.87 2kf2A4 SER 67 H -0.48 0.87 0.52 -0.55 8.46 8.83 2kf2A4 SER 67 HA -0.22 -0.08 1.05 -0.75 4.49 4.49 2kf2A4 SER 67 HB2 -1.50 -0.01 0.01 -0.04 3.95 2.41 2kf2A4 SER 67 HB3 -0.28 0.14 -0.09 -0.04 3.93 3.66 2kf2A4 GLU 68 H -0.16 0.79 0.40 -0.55 8.60 9.08 2kf2A4 GLU 68 HA -0.05 0.15 1.14 -0.75 4.29 4.77 2kf2A4 GLU 68 HB2 -0.05 0.01 0.19 -0.04 2.09 2.19 2kf2A4 GLU 68 HB3 -0.03 -0.00 -0.02 -0.04 1.99 1.90 2kf2A4 GLU 68 HG2 -0.05 -0.00 -0.09 -0.04 2.34 2.15 2kf2A4 GLU 68 HG3 -0.08 -0.05 -0.18 -0.04 2.34 1.99 2kf2A4 ARG 69 H 0.15 0.74 0.41 -0.55 8.46 9.21 2kf2A4 ARG 69 HA -0.04 0.24 1.12 -0.75 4.34 4.91 2kf2A4 ARG 69 HB2 0.23 -0.03 0.02 -0.04 1.90 2.08 2kf2A4 ARG 69 HB3 0.04 0.05 0.24 -0.04 1.80 2.09 2kf2A4 ARG 69 HG2 -0.18 -0.05 -0.36 -0.04 1.67 1.04 2kf2A4 ARG 69 HG3 -0.44 -0.01 -0.17 -0.04 1.67 1.00 2kf2A4 ARG 69 HD2 -0.03 -0.01 -0.07 -0.04 3.22 3.07 2kf2A4 ARG 69 HD3 -0.16 -0.01 -0.04 -0.04 3.22 2.98 2kf2A4 VAL 70 H -0.09 0.77 0.32 -0.55 8.24 8.70 2kf2A4 VAL 70 HA -0.00 0.13 1.04 -0.75 4.13 4.55 2kf2A4 VAL 70 HB -0.02 -0.05 0.25 -0.04 2.12 2.26 2kf2A4 VAL 70 HG13 0.02 0.01 -0.11 -0.04 0.97 0.85 2kf2A4 VAL 70 HG23 -0.01 0.02 -0.07 -0.04 0.95 0.84 2kf2A4 ALA 71 H 0.04 0.30 0.15 -0.55 8.40 8.34 2kf2A4 ALA 71 HA 0.09 0.13 0.94 -0.75 4.34 4.75 2kf2A4 ALA 71 HB3 0.20 0.02 0.01 -0.04 1.41 1.61 2kf2A4 ASP 72 H 0.24 0.60 0.22 -0.55 8.40 8.90 2kf2A4 ASP 72 HA 0.12 0.24 0.93 -0.75 4.63 5.17 2kf2A4 ASP 72 HB2 0.09 0.07 0.09 -0.04 2.71 2.92 2kf2A4 ASP 72 HB3 0.15 0.02 0.29 -0.04 2.70 3.11 2kf2A4 PRO 73 HA -0.39 0.12 0.36 -0.51 4.44 4.02 2kf2A4 PRO 73 HB2 -0.13 0.04 -0.03 -0.04 2.28 2.13 2kf2A4 PRO 73 HB3 -0.26 0.06 0.07 -0.04 2.02 1.84 2kf2A4 PRO 73 HG2 -0.01 0.04 0.08 -0.04 2.03 2.10 2kf2A4 PRO 73 HG3 0.05 0.12 0.04 -0.04 2.03 2.19 2kf2A4 PRO 73 HD2 0.02 0.03 0.23 -0.04 3.68 3.93 2kf2A4 PRO 73 HD3 0.10 0.45 0.43 -0.04 3.65 4.59 2kf2A4 VAL 74 H 0.01 0.04 -0.25 -0.55 8.24 7.48 2kf2A4 VAL 74 HA -0.04 0.19 0.58 -0.75 4.13 4.11 2kf2A4 VAL 74 HB 0.01 -0.08 0.10 -0.04 2.12 2.11 2kf2A4 VAL 74 HG13 -0.00 0.02 -0.07 -0.04 0.97 0.88 2kf2A4 VAL 74 HG23 -0.01 0.01 0.02 -0.04 0.95 0.93 2kf2A4 THR 75 H 0.05 0.00 -0.03 -0.55 8.28 7.75 2kf2A4 THR 75 HA 0.05 0.17 0.57 -0.75 4.39 4.43 2kf2A4 THR 75 HB 0.11 -0.01 -0.01 -0.04 4.32 4.37 2kf2A4 THR 75 HG23 0.07 0.02 0.02 -0.04 1.22 1.28 2kf2A4 ARG 76 H 0.08 -0.02 -0.38 -0.55 8.46 7.59 2kf2A4 ARG 76 HA 0.15 0.07 0.31 -0.75 4.34 4.11 2kf2A4 ARG 76 HB2 0.13 0.22 0.08 -0.04 1.90 2.29 2kf2A4 ARG 76 HB3 0.24 -0.09 0.19 -0.04 1.80 2.10 2kf2A4 ARG 76 HG2 -0.43 -0.01 -0.03 -0.04 1.67 1.16 2kf2A4 ARG 76 HG3 -0.09 0.11 -0.39 -0.04 1.67 1.25 2kf2A4 ARG 76 HD2 -0.11 -0.09 -0.01 -0.04 3.22 2.96 2kf2A4 ARG 76 HD3 -0.17 0.01 -0.02 -0.04 3.22 3.00 2kf2A4 THR 77 H 0.36 0.25 0.09 -0.55 8.28 8.43 2kf2A4 THR 77 HA 0.35 0.25 0.93 -0.75 4.39 5.16 2kf2A4 THR 77 HB 0.13 -0.10 0.00 -0.04 4.32 4.32 2kf2A4 THR 77 HG23 0.08 -0.00 -0.16 -0.04 1.22 1.09 2kf2A4 VAL 78 H 0.12 0.67 0.27 -0.55 8.24 8.75 2kf2A4 VAL 78 HA -0.03 0.33 1.20 -0.75 4.13 4.87 2kf2A4 VAL 78 HB -0.16 -0.01 0.14 -0.04 2.12 2.04 2kf2A4 VAL 78 HG13 -0.54 -0.00 -0.32 -0.04 0.97 0.07 2kf2A4 VAL 78 HG23 -0.34 -0.01 -0.16 -0.04 0.95 0.39 2kf2A4 ARG 79 H -0.12 0.63 0.33 -0.55 8.46 8.75 2kf2A4 ARG 79 HA -0.21 0.20 1.11 -0.75 4.34 4.68 2kf2A4 ARG 79 HB2 -0.06 -0.03 0.21 -0.04 1.90 1.97 2kf2A4 ARG 79 HB3 -0.06 -0.00 -0.04 -0.04 1.80 1.65 2kf2A4 ARG 79 HG2 -0.03 0.02 -0.22 -0.04 1.67 1.39 2kf2A4 ARG 79 HG3 -0.01 0.03 -0.09 -0.04 1.67 1.57 2kf2A4 ARG 79 HD2 0.01 0.01 -0.08 -0.04 3.22 3.12 2kf2A4 ARG 79 HD3 0.02 0.00 -0.07 -0.04 3.22 3.13 2kf2A4 ALA 80 H -0.41 0.86 0.26 -0.55 8.40 8.57 2kf2A4 ALA 80 HA -0.13 0.23 1.07 -0.75 4.34 4.75 2kf2A4 ALA 80 HB3 -0.41 -0.00 0.07 -0.04 1.41 1.03 2kf2A4 GLN 81 H -0.07 0.70 0.28 -0.55 8.47 8.83 2kf2A4 GLN 81 HA -0.13 0.07 0.95 -0.75 4.36 4.51 2kf2A4 GLN 81 HB2 -0.12 0.08 0.03 -0.04 2.15 2.10 2kf2A4 GLN 81 HB3 -0.07 -0.05 0.03 -0.04 2.02 1.89 2kf2A4 GLN 81 HG2 -0.06 0.31 0.30 -0.04 2.40 2.91 2kf2A4 GLN 81 HG3 -0.08 -0.11 0.05 -0.04 2.39 2.21 2kf2A4 GLN 81 HE21 -0.03 -0.00 0.01 -0.04 6.97 6.90 2kf2A4 GLN 81 HE22 -0.01 -0.01 -0.01 -0.04 7.69 7.62 2kf2A4 ARG 82 H -0.19 0.51 0.33 -0.55 8.46 8.56 2kf2A4 ARG 82 HA -0.13 0.01 1.00 -0.75 4.34 4.46 2kf2A4 ARG 82 HB2 -0.24 0.01 0.17 -0.04 1.90 1.81 2kf2A4 ARG 82 HB3 -0.20 0.27 0.07 -0.04 1.80 1.90 2kf2A4 ARG 82 HG2 -0.01 -0.03 -0.12 -0.04 1.67 1.47 2kf2A4 ARG 82 HG3 -0.11 0.00 -0.03 -0.04 1.67 1.49 2kf2A4 ARG 82 HD2 -0.43 0.04 -0.03 -0.04 3.22 2.76 2kf2A4 ARG 82 HD3 -0.03 -0.04 -0.06 -0.04 3.22 3.05 2kf2A4 VAL 83 H -0.10 0.26 0.41 -0.55 8.24 8.26 2kf2A4 VAL 83 HA -0.07 0.06 0.54 -0.75 4.13 3.91 2kf2A4 VAL 83 HB -0.04 0.05 0.11 -0.04 2.12 2.20 2kf2A4 VAL 83 HG13 -0.02 -0.01 -0.03 -0.04 0.97 0.87 2kf2A4 VAL 83 HG23 -0.07 -0.02 -0.01 -0.04 0.95 0.81 2kf2A4 GLU 84 H -0.01 0.29 0.14 -0.55 8.60 8.49 2kf2A4 GLU 84 HA -0.00 0.21 0.93 -0.75 4.29 4.67 2kf2A4 GLU 84 HB2 0.21 -0.15 0.19 -0.04 2.09 2.30 2kf2A4 GLU 84 HB3 0.13 0.10 0.13 -0.04 1.99 2.30 2kf2A4 GLU 84 HG2 0.05 0.09 0.04 -0.04 2.34 2.47 2kf2A4 GLU 84 HG3 0.04 -0.05 0.03 -0.04 2.34 2.31 2kf2A4 THR 85 H -0.04 0.27 0.20 -0.55 8.28 8.17 2kf2A4 THR 85 HA -0.41 0.08 0.64 -0.75 4.39 3.94 2kf2A4 THR 85 HB -0.17 0.07 -0.36 -0.04 4.32 3.83 2kf2A4 THR 85 HG23 -0.03 0.03 -0.17 -0.04 1.22 1.01 2kf2A4 GLY 86 H -0.10 0.03 0.04 -0.55 8.43 7.86 2kf2A4 GLY 86 HA2 -0.09 0.24 0.95 -0.51 4.01 4.60 2kf2A4 GLY 86 HA3 -0.17 0.02 0.37 -0.51 4.01 3.72 2kf2A4 PRO 87 HA -0.23 0.20 0.41 -0.51 4.44 4.31 2kf2A4 PRO 87 HB2 -0.76 -0.03 0.01 -0.04 2.28 1.45 2kf2A4 PRO 87 HB3 -0.32 0.07 0.13 -0.04 2.02 1.85 2kf2A4 PRO 87 HG2 -0.42 0.02 0.05 -0.04 2.03 1.64 2kf2A4 PRO 87 HG3 -0.28 0.07 0.07 -0.04 2.03 1.84 2kf2A4 PRO 87 HD2 -0.32 0.07 0.15 -0.04 3.68 3.53 2kf2A4 PRO 87 HD3 -0.23 0.12 0.21 -0.04 3.65 3.70 2kf2A4 PHE 88 H -0.09 -0.05 -0.68 -0.55 8.34 6.97 2kf2A4 PHE 88 HA -0.02 0.12 0.93 -0.75 4.62 4.90 2kf2A4 PHE 88 HB2 -0.15 -0.03 -0.07 -0.04 3.15 2.85 2kf2A4 PHE 88 HB3 -0.03 0.11 -0.01 -0.04 3.06 3.10 2kf2A4 PHE 88 HD2 -0.21 -0.08 -0.06 -0.04 7.28 6.89 2kf2A4 PHE 88 HE2 -0.31 -0.01 -0.07 -0.04 7.38 6.96 2kf2A4 PHE 88 HZ -0.18 0.01 -0.07 -0.04 7.32 7.04 2kf2A4 GLN 89 H 0.16 0.55 0.44 -0.55 8.47 9.07 2kf2A4 GLN 89 HA 0.06 0.14 0.58 -0.75 4.36 4.39 2kf2A4 GLN 89 HB2 0.05 -0.03 0.03 -0.04 2.15 2.16 2kf2A4 GLN 89 HB3 0.10 0.05 0.06 -0.04 2.02 2.20 2kf2A4 GLN 89 HG2 0.09 -0.02 -0.11 -0.04 2.40 2.31 2kf2A4 GLN 89 HG3 0.05 0.01 0.06 -0.04 2.39 2.46 2kf2A4 GLN 89 HE21 0.02 -0.01 -0.04 -0.04 6.97 6.90 2kf2A4 GLN 89 HE22 0.01 -0.01 -0.03 -0.04 7.69 7.62 2kf2A4 TYR 90 H 0.22 0.27 0.22 -0.55 8.29 8.46 2kf2A4 TYR 90 HA 0.01 0.22 0.54 -0.75 4.56 4.58 2kf2A4 TYR 90 HB2 0.02 0.11 -0.19 -0.04 3.06 2.95 2kf2A4 TYR 90 HB3 0.03 -0.12 -0.04 -0.04 2.98 2.80 2kf2A4 TYR 90 HD2 0.00 0.07 -0.09 -0.04 7.15 7.09 2kf2A4 TYR 90 HE2 0.00 -0.00 -0.02 -0.04 6.85 6.79 2kf2A4 MET 91 H -0.79 0.25 0.05 -0.55 8.47 7.43 2kf2A4 MET 91 HA 0.00 0.19 0.53 -0.75 4.52 4.48 2kf2A4 MET 91 HB2 -0.23 0.07 0.05 -0.04 2.15 2.00 2kf2A4 MET 91 HB3 -0.28 0.02 0.00 -0.04 2.03 1.73 2kf2A4 MET 91 HG2 -0.17 -0.03 -0.27 -0.04 2.63 2.12 2kf2A4 MET 91 HG3 -0.10 -0.01 -0.17 -0.04 2.56 2.24 2kf2A4 MET 91 HE3 -1.21 -0.00 -0.06 -0.04 2.10 0.78 2kf2A4 ASN 92 H -0.01 0.84 0.23 -0.55 8.53 9.04 2kf2A4 ASN 92 HA -0.13 0.12 0.96 -0.75 4.76 4.95 2kf2A4 ASN 92 HB2 -0.05 0.01 0.03 -0.04 2.88 2.83 2kf2A4 ASN 92 HB3 0.10 -0.02 0.19 -0.04 2.79 3.03 2kf2A4 ASN 92 HD21 0.11 0.02 -0.03 -0.04 7.03 7.08 2kf2A4 ASN 92 HD22 0.02 -0.00 -0.07 -0.04 7.74 7.64 2kf2A4 ILE 93 H -0.07 0.67 0.11 -0.55 8.25 8.41 2kf2A4 ILE 93 HA 0.07 0.09 0.73 -0.75 4.18 4.30 2kf2A4 ILE 93 HB -0.08 0.04 0.24 -0.04 1.89 2.04 2kf2A4 ILE 93 HG12 0.08 -0.04 -0.15 -0.04 1.49 1.35 2kf2A4 ILE 93 HG13 -0.02 0.03 -0.07 -0.04 1.21 1.11 2kf2A4 ILE 93 HG23 0.08 -0.01 -0.21 -0.04 0.93 0.75 2kf2A4 ILE 93 HD13 0.14 0.00 -0.06 -0.04 0.88 0.92 2kf2A4 VAL 94 H 0.06 0.71 0.25 -0.55 8.24 8.71 2kf2A4 VAL 94 HA -0.06 0.08 0.81 -0.75 4.13 4.21 2kf2A4 VAL 94 HB 0.05 0.05 0.29 -0.04 2.12 2.47 2kf2A4 VAL 94 HG13 0.02 -0.02 -0.19 -0.04 0.97 0.75 2kf2A4 VAL 94 HG23 0.04 0.01 -0.04 -0.04 0.95 0.91 2kf2A4 TRP 95 H -0.08 0.84 0.43 -0.55 7.97 8.61 2kf2A4 TRP 95 HA -0.54 0.15 0.74 -0.75 4.62 4.21 2kf2A4 TRP 95 HB2 -0.38 -0.03 0.30 -0.04 3.23 3.07 2kf2A4 TRP 95 HB3 -0.75 -0.02 -0.00 -0.04 3.23 2.42 2kf2A4 TRP 95 HD1 -0.86 -0.13 -0.57 -0.04 7.22 5.62 2kf2A4 TRP 95 HE1 -1.52 -0.03 -0.10 -0.04 10.20 8.51 2kf2A4 TRP 95 HE3 -0.15 -0.04 -0.10 -0.04 7.59 7.27 2kf2A4 TRP 95 HZ2 -1.04 -0.02 -0.07 -0.04 7.44 6.27 2kf2A4 TRP 95 HZ3 -0.09 0.11 -0.09 -0.04 7.13 7.01 2kf2A4 TRP 95 HH2 -1.55 0.04 -0.06 -0.04 7.19 5.58 2kf2A4 GLU 96 H -0.10 0.81 0.35 -0.55 8.60 9.11 2kf2A4 GLU 96 HA 0.02 0.11 0.92 -0.75 4.29 4.58 2kf2A4 GLU 96 HB2 0.02 -0.02 0.02 -0.04 2.09 2.07 2kf2A4 GLU 96 HB3 0.01 -0.02 0.17 -0.04 1.99 2.11 2kf2A4 GLU 96 HG2 0.06 0.01 -0.22 -0.04 2.34 2.16 2kf2A4 GLU 96 HG3 0.08 0.03 0.01 -0.04 2.34 2.42 2kf2A4 TYR 97 H 0.24 0.35 0.25 -0.55 8.29 8.58 2kf2A4 TYR 97 HA 0.12 0.22 0.98 -0.75 4.56 5.13 2kf2A4 TYR 97 HB2 0.27 0.18 0.23 -0.04 3.06 3.69 2kf2A4 TYR 97 HB3 0.19 -0.10 -0.05 -0.04 2.98 2.99 2kf2A4 TYR 97 HD2 0.21 0.11 -0.08 -0.04 7.15 7.35 2kf2A4 TYR 97 HE2 -0.14 -0.02 -0.13 -0.04 6.85 6.52 2kf2A4 ALA 98 H 0.14 0.67 0.22 -0.55 8.40 8.89 2kf2A4 ALA 98 HA 0.12 0.19 1.00 -0.75 4.34 4.88 2kf2A4 ALA 98 HB3 0.07 0.00 0.08 -0.04 1.41 1.51 2kf2A4 GLU 99 H 0.11 0.25 0.10 -0.55 8.60 8.51 2kf2A4 GLU 99 HA 0.09 -0.04 0.51 -0.75 4.29 4.10 2kf2A4 GLU 99 HB2 0.08 -0.01 0.11 -0.04 2.09 2.23 2kf2A4 GLU 99 HB3 0.06 0.02 0.14 -0.04 1.99 2.16 2kf2A4 GLU 99 HG2 0.04 0.07 -0.28 -0.04 2.34 2.12 2kf2A4 GLU 99 HG3 0.05 -0.07 0.02 -0.04 2.34 2.29 2kf2A4 THR 100 H 0.05 0.36 0.34 -0.55 8.28 8.48 2kf2A4 THR 100 HA 0.03 0.18 0.85 -0.75 4.39 4.70 2kf2A4 THR 100 HB 0.03 -0.06 0.09 -0.04 4.32 4.33 2kf2A4 THR 100 HG23 0.02 -0.05 0.11 -0.04 1.22 1.26 2kf2A4 ALA 101 H 0.02 0.14 0.15 -0.55 8.40 8.16 2kf2A4 ALA 101 HA 0.02 0.10 0.34 -0.75 4.34 4.05 2kf2A4 ALA 101 HB3 0.01 0.01 0.09 -0.04 1.41 1.48 2kf2A4 GLU 102 H 0.02 -0.02 -0.10 -0.55 8.60 7.95 2kf2A4 GLU 102 HA 0.01 0.15 0.46 -0.75 4.29 4.16 2kf2A4 GLU 102 HB2 0.01 -0.04 0.01 -0.04 2.09 2.03 2kf2A4 GLU 102 HB3 0.01 0.05 -0.04 -0.04 1.99 1.97 2kf2A4 GLU 102 HG2 0.01 -0.10 -0.00 -0.04 2.34 2.21 2kf2A4 GLU 102 HG3 0.01 0.02 -0.02 -0.04 2.34 2.31 2kf2A4 GLY 103 H 0.03 -0.01 -0.18 -0.55 8.43 7.72 2kf2A4 GLY 103 HA2 0.03 0.08 0.24 -0.51 4.01 3.86 2kf2A4 GLY 103 HA3 0.03 0.30 0.30 -0.51 4.01 4.13 2kf2A4 THR 104 H 0.06 0.47 0.26 -0.55 8.28 8.51 2kf2A4 THR 104 HA 0.09 0.09 0.83 -0.75 4.39 4.64 2kf2A4 THR 104 HB 0.12 0.00 0.09 -0.04 4.32 4.50 2kf2A4 THR 104 HG23 0.25 -0.00 -0.31 -0.04 1.22 1.11 2kf2A4 VAL 105 H 0.09 0.66 0.22 -0.55 8.24 8.66 2kf2A4 VAL 105 HA 0.04 0.11 0.72 -0.75 4.13 4.25 2kf2A4 VAL 105 HB 0.06 0.02 0.26 -0.04 2.12 2.42 2kf2A4 VAL 105 HG13 0.03 -0.01 -0.26 -0.04 0.97 0.69 2kf2A4 VAL 105 HG23 0.03 0.00 -0.05 -0.04 0.95 0.89 2kf2A4 MET 106 H 0.05 0.64 0.29 -0.55 8.47 8.90 2kf2A4 MET 106 HA 0.01 0.09 0.78 -0.75 4.52 4.66 2kf2A4 MET 106 HB2 0.12 -0.02 0.06 -0.04 2.15 2.27 2kf2A4 MET 106 HB3 -0.00 0.02 0.23 -0.04 2.03 2.24 2kf2A4 MET 106 HG2 0.17 -0.01 -0.26 -0.04 2.63 2.49 2kf2A4 MET 106 HG3 -0.01 -0.01 -0.10 -0.04 2.56 2.40 2kf2A4 MET 106 HE3 -0.33 -0.00 -0.02 -0.04 2.10 1.71 2kf2A4 ARG 107 H -0.08 0.69 0.28 -0.55 8.46 8.80 2kf2A4 ARG 107 HA 0.06 0.18 0.76 -0.75 4.34 4.59 2kf2A4 ARG 107 HB2 0.03 -0.05 -0.11 -0.04 1.90 1.73 2kf2A4 ARG 107 HB3 0.00 0.20 0.24 -0.04 1.80 2.20 2kf2A4 ARG 107 HG2 0.05 -0.06 -0.22 -0.04 1.67 1.39 2kf2A4 ARG 107 HG3 0.05 -0.03 -0.32 -0.04 1.67 1.33 2kf2A4 ARG 107 HD2 0.03 -0.00 -0.10 -0.04 3.22 3.11 2kf2A4 ARG 107 HD3 0.03 0.01 -0.06 -0.04 3.22 3.16 2kf2A4 TRP 108 H 0.25 0.86 0.24 -0.55 7.97 8.77 2kf2A4 TRP 108 HA -0.07 0.17 0.75 -0.75 4.62 4.71 2kf2A4 TRP 108 HB2 -0.11 0.06 0.26 -0.04 3.23 3.40 2kf2A4 TRP 108 HB3 -0.04 -0.05 0.03 -0.04 3.23 3.13 2kf2A4 TRP 108 HD1 -0.41 -0.04 -0.40 -0.04 7.22 6.34 2kf2A4 TRP 108 HE1 -0.95 -0.00 -0.12 -0.04 10.20 9.09 2kf2A4 TRP 108 HE3 0.02 -0.03 -0.07 -0.04 7.59 7.46 2kf2A4 TRP 108 HZ2 -1.19 0.02 -0.08 -0.04 7.44 6.15 2kf2A4 TRP 108 HZ3 0.12 -0.02 -0.08 -0.04 7.13 7.12 2kf2A4 TRP 108 HH2 -0.13 0.01 -0.08 -0.04 7.19 6.95 2kf2A4 THR 109 H 0.09 0.85 0.27 -0.55 8.28 8.94 2kf2A4 THR 109 HA 0.13 0.18 0.88 -0.75 4.39 4.83 2kf2A4 THR 109 HB 0.07 -0.02 0.26 -0.04 4.32 4.59 2kf2A4 THR 109 HG23 0.09 -0.02 -0.17 -0.04 1.22 1.08 2kf2A4 GLN 110 H 0.20 0.80 0.29 -0.55 8.47 9.21 2kf2A4 GLN 110 HA 0.16 0.11 0.82 -0.75 4.36 4.70 2kf2A4 GLN 110 HB2 0.40 -0.02 0.22 -0.04 2.15 2.70 2kf2A4 GLN 110 HB3 0.35 -0.03 -0.06 -0.04 2.02 2.24 2kf2A4 GLN 110 HG2 0.25 -0.05 -0.14 -0.04 2.40 2.43 2kf2A4 GLN 110 HG3 0.31 0.13 -0.08 -0.04 2.39 2.72 2kf2A4 GLN 110 HE21 0.53 -0.00 -0.09 -0.04 6.97 7.37 2kf2A4 GLN 110 HE22 0.25 -0.01 -0.06 -0.04 7.69 7.83 2kf2A4 ASP 111 H 0.12 0.77 0.35 -0.55 8.40 9.10 2kf2A4 ASP 111 HA -0.12 0.15 0.86 -0.75 4.63 4.77 2kf2A4 ASP 111 HB2 0.18 0.02 0.08 -0.04 2.71 2.95 2kf2A4 ASP 111 HB3 0.18 -0.05 0.29 -0.04 2.70 3.08 2kf2A4 PHE 112 H -0.43 0.61 0.09 -0.55 8.34 8.07 2kf2A4 PHE 112 HA 0.08 0.18 0.65 -0.75 4.62 4.78 2kf2A4 PHE 112 HB2 -0.01 0.11 0.20 -0.04 3.15 3.41 2kf2A4 PHE 112 HB3 -0.10 -0.08 -0.07 -0.04 3.06 2.77 2kf2A4 PHE 112 HD2 0.07 -0.07 -0.22 -0.04 7.28 7.03 2kf2A4 PHE 112 HE2 0.09 -0.07 -0.02 -0.04 7.38 7.34 2kf2A4 PHE 112 HZ 0.08 -0.04 -0.24 -0.04 7.32 7.08 2kf2A4 ALA 113 H 0.31 0.60 0.28 -0.55 8.40 9.05 2kf2A4 ALA 113 HA 0.05 -0.08 0.97 -0.75 4.34 4.52 2kf2A4 ALA 113 HB3 0.05 0.06 0.03 -0.04 1.41 1.51 2kf2A4 MET 114 H 0.16 0.05 0.18 -0.55 8.47 8.30 2kf2A4 MET 114 HA 0.11 0.18 1.03 -0.75 4.52 5.08 2kf2A4 MET 114 HB2 0.17 -0.11 0.05 -0.04 2.15 2.22 2kf2A4 MET 114 HB3 0.03 -0.06 0.24 -0.04 2.03 2.19 2kf2A4 MET 114 HG2 0.08 0.14 0.05 -0.04 2.63 2.87 2kf2A4 MET 114 HG3 0.51 -0.11 -0.21 -0.04 2.56 2.71 2kf2A4 MET 114 HE3 -0.26 0.07 -0.02 -0.04 2.10 1.85 2kf2A4 LYS 115 H 0.02 0.20 0.12 -0.55 8.42 8.21 2kf2A4 LYS 115 HA 0.03 0.05 0.35 -0.75 4.32 3.99 2kf2A4 LYS 115 HB2 0.03 0.37 0.54 -0.04 1.87 2.77 2kf2A4 LYS 115 HB3 0.02 -0.04 0.19 -0.04 1.79 1.92 2kf2A4 LYS 115 HG2 0.06 -0.04 0.04 -0.04 1.46 1.47 2kf2A4 LYS 115 HG3 0.06 -0.20 -0.38 -0.04 1.46 0.90 2kf2A4 LYS 115 HD2 0.03 0.01 0.05 -0.04 1.69 1.73 2kf2A4 LYS 115 HD3 0.04 -0.13 0.01 -0.04 1.68 1.56 2kf2A4 LYS 115 HE2 0.02 0.03 0.09 -0.04 2.99 3.09 2kf2A4 LYS 115 HE3 0.01 0.03 0.07 -0.04 2.99 3.06 2kf2A4 PRO 116 HA -0.01 0.06 0.50 -0.51 4.44 4.48 2kf2A4 PRO 116 HB2 -0.02 0.06 0.09 -0.04 2.28 2.37 2kf2A4 PRO 116 HB3 -0.00 0.02 0.04 -0.04 2.02 2.04 2kf2A4 PRO 116 HG2 -0.04 0.10 -0.03 -0.04 2.03 2.03 2kf2A4 PRO 116 HG3 0.00 0.05 -0.08 -0.04 2.03 1.96 2kf2A4 PRO 116 HD2 -0.01 -0.08 -0.06 -0.04 3.68 3.50 2kf2A4 PRO 116 HD3 0.02 0.22 -0.40 -0.04 3.65 3.45 2kf2A4 ASP 117 H -0.01 0.34 0.26 -0.55 8.40 8.44 2kf2A4 ASP 117 HA -0.02 -0.01 0.34 -0.75 4.63 4.18 2kf2A4 ASP 117 HB2 -0.02 -0.04 -0.05 -0.04 2.71 2.55 2kf2A4 ASP 117 HB3 -0.04 0.20 0.14 -0.04 2.70 2.96 2kf2A4 ALA 118 H -0.02 0.21 -0.07 -0.55 8.40 7.97 2kf2A4 ALA 118 HA -0.07 0.21 0.75 -0.75 4.34 4.47 2kf2A4 ALA 118 HB3 -0.07 0.01 -0.06 -0.04 1.41 1.25 2kf2A4 PRO 119 HA -0.06 0.09 0.42 -0.51 4.44 4.39 2kf2A4 PRO 119 HB2 -0.15 0.02 -0.01 -0.04 2.28 2.09 2kf2A4 PRO 119 HB3 -0.09 0.04 0.09 -0.04 2.02 2.03 2kf2A4 PRO 119 HG2 -0.12 -0.00 0.06 -0.04 2.03 1.93 2kf2A4 PRO 119 HG3 -0.09 0.07 0.06 -0.04 2.03 2.03 2kf2A4 PRO 119 HD2 -0.09 0.13 0.24 -0.04 3.68 3.92 2kf2A4 PRO 119 HD3 -0.07 0.18 0.10 -0.04 3.65 3.82 2kf2A4 VAL 120 H -0.08 0.11 -0.23 -0.55 8.24 7.49 2kf2A4 VAL 120 HA -0.18 0.13 0.89 -0.75 4.13 4.21 2kf2A4 VAL 120 HB 0.09 -0.02 -0.03 -0.04 2.12 2.13 2kf2A4 VAL 120 HG13 -0.24 0.01 -0.06 -0.04 0.97 0.64 2kf2A4 VAL 120 HG23 -0.06 0.00 -0.00 -0.04 0.95 0.85 2kf2A4 ASP 121 H 0.69 0.10 0.17 -0.55 8.40 8.80 2kf2A4 ASP 121 HA 0.16 0.28 0.70 -0.75 4.63 5.01 2kf2A4 ASP 121 HB2 0.27 0.19 0.07 -0.04 2.71 3.20 2kf2A4 ASP 121 HB3 0.31 -0.13 0.11 -0.04 2.70 2.95 2kf2A4 ASP 122 H 0.12 0.29 0.09 -0.55 8.40 8.35 2kf2A4 ASP 122 HA 0.29 0.09 0.39 -0.75 4.63 4.65 2kf2A4 ASP 122 HB2 0.03 0.06 -0.08 -0.04 2.71 2.67 2kf2A4 ASP 122 HB3 -0.03 0.03 -0.15 -0.04 2.70 2.51 2kf2A4 ALA 123 H 0.05 0.10 -0.27 -0.55 8.40 7.73 2kf2A4 ALA 123 HA -0.03 0.13 0.35 -0.75 4.34 4.03 2kf2A4 ALA 123 HB3 -0.21 0.03 0.04 -0.04 1.41 1.23 2kf2A4 TRP 124 H 0.15 0.07 -0.25 -0.55 7.97 7.40 2kf2A4 TRP 124 HA 0.04 0.09 0.40 -0.75 4.62 4.40 2kf2A4 TRP 124 HB2 0.04 0.06 0.16 -0.04 3.23 3.44 2kf2A4 TRP 124 HB3 0.03 0.05 0.03 -0.04 3.23 3.30 2kf2A4 TRP 124 HD1 0.02 -0.45 0.22 -0.04 7.22 6.96 2kf2A4 TRP 124 HE1 0.01 0.08 0.06 -0.04 10.20 10.31 2kf2A4 TRP 124 HE3 0.02 -0.02 0.04 -0.04 7.59 7.59 2kf2A4 TRP 124 HZ2 0.01 0.03 0.02 -0.04 7.44 7.46 2kf2A4 TRP 124 HZ3 0.01 0.02 0.00 -0.04 7.13 7.12 2kf2A4 TRP 124 HH2 0.01 0.03 0.01 -0.04 7.19 7.19 2kf2A4 MET 125 H 0.30 0.46 -0.23 -0.55 8.47 8.46 2kf2A4 MET 125 HA 0.19 0.04 0.37 -0.75 4.52 4.36 2kf2A4 MET 125 HB2 0.40 0.05 0.06 -0.04 2.15 2.61 2kf2A4 MET 125 HB3 0.15 0.00 -0.01 -0.04 2.03 2.13 2kf2A4 MET 125 HG2 0.19 0.05 -0.12 -0.04 2.63 2.70 2kf2A4 MET 125 HG3 0.13 0.02 -0.11 -0.04 2.56 2.56 2kf2A4 MET 125 HE3 0.12 0.01 -0.04 -0.04 2.10 2.14 2kf2A4 THR 126 H 0.23 0.54 -0.24 -0.55 8.28 8.26 2kf2A4 THR 126 HA 0.30 0.02 0.39 -0.75 4.39 4.35 2kf2A4 THR 126 HB 0.06 0.12 0.16 -0.04 4.32 4.62 2kf2A4 THR 126 HG23 0.06 -0.01 -0.13 -0.04 1.22 1.10 2kf2A4 ASP 127 H 0.09 0.45 -0.13 -0.55 8.40 8.26 2kf2A4 ASP 127 HA 0.05 0.05 0.43 -0.75 4.63 4.40 2kf2A4 ASP 127 HB2 -0.00 0.01 0.11 -0.04 2.71 2.79 2kf2A4 ASP 127 HB3 0.08 0.09 0.14 -0.04 2.70 2.96 2kf2A4 ASN 128 H 0.15 0.54 -0.11 -0.55 8.53 8.56 2kf2A4 ASN 128 HA 0.08 0.03 0.42 -0.75 4.76 4.53 2kf2A4 ASN 128 HB2 0.15 0.05 0.10 -0.04 2.88 3.14 2kf2A4 ASN 128 HB3 0.13 -0.00 0.18 -0.04 2.79 3.05 2kf2A4 ASN 128 HD21 0.07 0.04 -0.19 -0.04 7.03 6.91 2kf2A4 ASN 128 HD22 0.06 0.00 -0.11 -0.04 7.74 7.65 2kf2A4 ILE 129 H 0.11 0.81 -0.06 -0.55 8.25 8.57 2kf2A4 ILE 129 HA 0.05 -0.01 0.37 -0.75 4.18 3.83 2kf2A4 ILE 129 HB 0.15 0.14 0.15 -0.04 1.89 2.28 2kf2A4 ILE 129 HG12 -0.01 -0.04 0.01 -0.04 1.49 1.40 2kf2A4 ILE 129 HG13 0.04 0.04 0.09 -0.04 1.21 1.34 2kf2A4 ILE 129 HG23 0.09 -0.01 -0.11 -0.04 0.93 0.85 2kf2A4 ILE 129 HD13 -0.32 -0.02 -0.07 -0.04 0.88 0.43 2kf2A4 ASN 130 H 0.08 0.51 -0.31 -0.55 8.53 8.26 2kf2A4 ASN 130 HA 0.02 -0.01 0.34 -0.75 4.76 4.37 2kf2A4 ASN 130 HB2 0.05 0.13 0.14 -0.04 2.88 3.16 2kf2A4 ASN 130 HB3 0.03 0.09 0.20 -0.04 2.79 3.08 2kf2A4 ASN 130 HD21 0.01 -0.05 0.06 -0.04 7.03 7.01 2kf2A4 ASN 130 HD22 0.00 0.01 0.02 -0.04 7.74 7.73 2kf2A4 ARG 131 H 0.02 0.60 -0.08 -0.55 8.46 8.45 2kf2A4 ARG 131 HA -0.02 0.05 0.48 -0.75 4.34 4.09 2kf2A4 ARG 131 HB2 0.02 0.11 0.17 -0.04 1.90 2.16 2kf2A4 ARG 131 HB3 -0.00 -0.04 0.03 -0.04 1.80 1.75 2kf2A4 ARG 131 HG2 0.00 -0.03 0.04 -0.04 1.67 1.64 2kf2A4 ARG 131 HG3 0.02 0.06 0.07 -0.04 1.67 1.78 2kf2A4 ARG 131 HD2 0.02 -0.02 0.01 -0.04 3.22 3.19 2kf2A4 ARG 131 HD3 0.02 -0.03 0.00 -0.04 3.22 3.18 2kf2A4 ASN 132 H 0.01 0.71 -0.00 -0.55 8.53 8.70 2kf2A4 ASN 132 HA -0.03 0.03 0.50 -0.75 4.76 4.51 2kf2A4 ASN 132 HB2 0.02 0.06 0.11 -0.04 2.88 3.03 2kf2A4 ASN 132 HB3 0.01 -0.04 0.02 -0.04 2.79 2.73 2kf2A4 ASN 132 HD21 0.04 -0.01 -0.03 -0.04 7.03 6.99 2kf2A4 ASN 132 HD22 0.03 -0.02 -0.02 -0.04 7.74 7.69 2kf2A4 SER 133 H -0.05 0.69 -0.20 -0.55 8.46 8.35 2kf2A4 SER 133 HA -0.24 -0.02 0.51 -0.75 4.49 3.99 2kf2A4 SER 133 HB2 -0.09 0.06 0.12 -0.04 3.95 4.01 2kf2A4 SER 133 HB3 -0.11 0.13 0.12 -0.04 3.93 4.03 2kf2A4 ARG 134 H -0.09 0.44 -0.24 -0.55 8.46 8.01 2kf2A4 ARG 134 HA -0.13 -0.00 0.40 -0.75 4.34 3.85 2kf2A4 ARG 134 HB2 -0.06 0.02 0.15 -0.04 1.90 1.97 2kf2A4 ARG 134 HB3 -0.06 0.25 0.27 -0.04 1.80 2.21 2kf2A4 ARG 134 HG2 -0.06 0.01 -0.21 -0.04 1.67 1.36 2kf2A4 ARG 134 HG3 -0.07 -0.05 0.02 -0.04 1.67 1.54 2kf2A4 ARG 134 HD2 -0.04 -0.02 0.02 -0.04 3.22 3.14 2kf2A4 ARG 134 HD3 -0.03 0.00 0.04 -0.04 3.22 3.19 2kf2A4 THR 135 H -0.10 0.44 -0.27 -0.55 8.28 7.80 2kf2A4 THR 135 HA -0.10 0.03 0.45 -0.75 4.39 4.02 2kf2A4 THR 135 HB -0.09 0.12 0.21 -0.04 4.32 4.52 2kf2A4 THR 135 HG23 -0.07 -0.01 -0.02 -0.04 1.22 1.07 2kf2A4 GLN 136 H -0.22 0.69 0.05 -0.55 8.47 8.44 2kf2A4 GLN 136 HA -0.34 0.05 0.42 -0.75 4.36 3.73 2kf2A4 GLN 136 HB2 -0.53 0.02 0.18 -0.04 2.15 1.78 2kf2A4 GLN 136 HB3 -1.34 -0.05 -0.00 -0.04 2.02 0.59 2kf2A4 GLN 136 HG2 -0.16 0.15 0.10 -0.04 2.40 2.45 2kf2A4 GLN 136 HG3 -0.08 -0.05 -0.04 -0.04 2.39 2.18 2kf2A4 GLN 136 HE21 -0.02 -0.03 0.00 -0.04 6.97 6.88 2kf2A4 GLN 136 HE22 -0.02 0.11 0.02 -0.04 7.69 7.76 2kf2A4 MET 137 H -0.39 0.85 -0.05 -0.55 8.47 8.35 2kf2A4 MET 137 HA -0.45 -0.00 0.40 -0.75 4.52 3.71 2kf2A4 MET 137 HB2 -0.34 0.26 0.05 -0.04 2.15 2.07 2kf2A4 MET 137 HB3 -0.33 -0.07 0.01 -0.04 2.03 1.60 2kf2A4 MET 137 HG2 -0.72 0.00 -0.02 -0.04 2.63 1.85 2kf2A4 MET 137 HG3 -0.77 -0.04 -0.01 -0.04 2.56 1.70 2kf2A4 MET 137 HE3 -1.67 -0.00 -0.04 -0.04 2.10 0.34 2kf2A4 ALA 138 H -0.21 0.38 -0.47 -0.55 8.40 7.55 2kf2A4 ALA 138 HA -0.12 0.00 0.67 -0.75 4.34 4.14 2kf2A4 ALA 138 HB3 -0.10 0.08 0.17 -0.04 1.41 1.52 2kf2A4 LEU 139 H -0.18 0.46 -0.08 -0.55 8.37 8.03 2kf2A4 LEU 139 HA -0.09 -0.02 0.46 -0.75 4.35 3.95 2kf2A4 LEU 139 HB2 -0.22 0.24 0.30 -0.04 1.64 1.92 2kf2A4 LEU 139 HB3 -0.10 0.03 0.14 -0.04 1.64 1.66 2kf2A4 LEU 139 HG -0.14 0.28 0.20 -0.04 1.64 1.94 2kf2A4 LEU 139 HD13 -0.11 -0.03 0.07 -0.04 0.93 0.82 2kf2A4 LEU 139 HD23 -0.07 -0.03 0.05 -0.04 0.89 0.80 2kf2A4 ILE 140 H -0.24 0.51 -0.10 -0.55 8.25 7.87 2kf2A4 ILE 140 HA -0.09 0.08 0.40 -0.75 4.18 3.82 2kf2A4 ILE 140 HB -0.27 0.03 0.10 -0.04 1.89 1.71 2kf2A4 ILE 140 HG12 -0.17 -0.04 -0.35 -0.04 1.49 0.89 2kf2A4 ILE 140 HG13 -0.42 0.32 -0.02 -0.04 1.21 1.05 2kf2A4 ILE 140 HG23 -0.10 -0.02 -0.14 -0.04 0.93 0.62 2kf2A4 ILE 140 HD13 -0.60 -0.04 -0.16 -0.04 0.88 0.04 2kf2A4 ARG 141 H -0.14 0.63 -0.25 -0.55 8.46 8.15 2kf2A4 ARG 141 HA -0.05 -0.06 0.36 -0.75 4.34 3.84 2kf2A4 ARG 141 HB2 -0.09 0.08 0.16 -0.04 1.90 2.01 2kf2A4 ARG 141 HB3 -0.08 0.12 0.25 -0.04 1.80 2.06 2kf2A4 ARG 141 HG2 -0.04 -0.00 -0.19 -0.04 1.67 1.40 2kf2A4 ARG 141 HG3 -0.03 -0.19 0.10 -0.04 1.67 1.51 2kf2A4 ARG 141 HD2 -0.03 -0.05 0.07 -0.04 3.22 3.17 2kf2A4 ARG 141 HD3 -0.05 0.06 -0.02 -0.04 3.22 3.18 2kf2A4 ASP 142 H -0.06 0.64 -0.11 -0.55 8.40 8.33 2kf2A4 ASP 142 HA -0.02 -0.01 0.46 -0.75 4.63 4.31 2kf2A4 ASP 142 HB2 -0.04 0.20 0.18 -0.04 2.71 3.00 2kf2A4 ASP 142 HB3 -0.02 -0.04 0.02 -0.04 2.70 2.62 2kf2A4 ARG 143 H -0.03 0.47 -0.25 -0.55 8.46 8.09 2kf2A4 ARG 143 HA 0.00 0.00 0.36 -0.75 4.34 3.95 2kf2A4 ARG 143 HB2 -0.01 0.10 0.18 -0.04 1.90 2.12 2kf2A4 ARG 143 HB3 0.02 -0.05 0.03 -0.04 1.80 1.76 2kf2A4 ARG 143 HG2 0.00 -0.09 0.03 -0.04 1.67 1.57 2kf2A4 ARG 143 HG3 -0.02 0.13 0.14 -0.04 1.67 1.87 2kf2A4 ARG 143 HD2 -0.01 0.09 0.08 -0.04 3.22 3.34 2kf2A4 ARG 143 HD3 0.03 -0.01 -0.03 -0.04 3.22 3.17 2kf2A4 ILE 144 H -0.01 0.70 -0.13 -0.55 8.25 8.26 2kf2A4 ILE 144 HA 0.03 0.05 0.56 -0.75 4.18 4.07 2kf2A4 ILE 144 HB 0.00 0.12 0.15 -0.04 1.89 2.12 2kf2A4 ILE 144 HG12 0.00 0.22 -0.02 -0.04 1.49 1.65 2kf2A4 ILE 144 HG13 0.01 -0.08 -0.09 -0.04 1.21 1.01 2kf2A4 ILE 144 HG23 0.04 -0.03 -0.20 -0.04 0.93 0.69 2kf2A4 ILE 144 HD13 0.06 -0.01 -0.06 -0.04 0.88 0.83 2kf2A4 GLU 145 H 0.00 0.63 -0.12 -0.55 8.60 8.56 2kf2A4 GLU 145 HA 0.01 0.01 0.37 -0.75 4.29 3.92 2kf2A4 GLU 145 HB2 -0.00 -0.02 0.11 -0.04 2.09 2.14 2kf2A4 GLU 145 HB3 -0.00 0.13 0.16 -0.04 1.99 2.23 2kf2A4 GLU 145 HG2 0.00 -0.01 -0.09 -0.04 2.34 2.20 2kf2A4 GLU 145 HG3 0.01 0.04 0.03 -0.04 2.34 2.37 2kf2A4 GLN 146 H 0.01 0.64 -0.09 -0.55 8.47 8.48 2kf2A4 GLN 146 HA 0.01 0.03 0.47 -0.75 4.36 4.11 2kf2A4 GLN 146 HB2 0.01 0.10 0.13 -0.04 2.15 2.35 2kf2A4 GLN 146 HB3 0.01 -0.04 0.02 -0.04 2.02 1.97 2kf2A4 GLN 146 HG2 0.00 -0.06 0.02 -0.04 2.40 2.32 2kf2A4 GLN 146 HG3 -0.00 0.33 0.06 -0.04 2.39 2.74 2kf2A4 GLN 146 HE21 -0.00 -0.03 -0.02 -0.04 6.97 6.88 2kf2A4 GLN 146 HE22 -0.00 -0.01 -0.03 -0.04 7.69 7.60 2kf2A4 ALA 147 H 0.02 0.38 -0.44 -0.55 8.40 7.81 2kf2A4 ALA 147 HA 0.03 0.03 0.50 -0.75 4.34 4.14 2kf2A4 ALA 147 HB3 0.04 0.05 0.14 -0.04 1.41 1.60 2kf2A4 ALA 148 H 0.03 0.68 0.02 -0.55 8.40 8.58 2kf2A4 ALA 148 HA 0.03 0.25 0.55 -0.75 4.34 4.43 2kf2A4 ALA 148 HB3 0.03 -0.03 0.10 -0.04 1.41 1.47 2kf2A4 GLY 149 H 0.02 0.33 -0.58 -0.55 8.43 7.65 2kf2A4 GLY 149 HA2 0.01 -0.00 0.48 -0.51 4.01 3.99 2kf2A4 GLY 149 HA3 0.01 0.01 0.26 -0.51 4.01 3.78 2kf2A4 GLU 150 H 0.02 0.27 -0.38 -0.55 8.60 7.97 2kf2A4 GLU 150 HA 0.01 0.01 0.58 -0.75 4.29 4.14 2kf2A4 GLU 150 HB2 0.02 0.01 0.15 -0.04 2.09 2.23 2kf2A4 GLU 150 HB3 0.02 0.14 0.23 -0.04 1.99 2.35 2kf2A4 GLU 150 HG2 0.02 -0.02 -0.15 -0.04 2.34 2.15 2kf2A4 GLU 150 HG3 0.02 -0.06 0.05 -0.04 2.34 2.31 2kf2A4 ARG 151 H 0.02 0.62 0.03 -0.55 8.46 8.59 2kf2A4 ARG 151 HA 0.02 0.09 0.90 -0.75 4.34 4.59 2kf2A4 ARG 151 HB2 0.02 -0.03 -0.11 -0.04 1.90 1.73 2kf2A4 ARG 151 HB3 0.03 -0.01 0.07 -0.04 1.80 1.85 2kf2A4 ARG 151 HG2 0.02 0.22 -0.19 -0.04 1.67 1.67 2kf2A4 ARG 151 HG3 0.02 -0.05 0.03 -0.04 1.67 1.64 2kf2A4 ARG 151 HD2 0.03 -0.03 -0.08 -0.04 3.22 3.10 2kf2A4 ARG 151 HD3 0.02 -0.04 -0.04 -0.04 3.22 3.12 2kf2A4 ARG 152 H 0.02 0.09 0.08 -0.55 8.46 8.09 2kf2A4 ARG 152 HA 0.02 0.18 0.92 -0.75 4.34 4.71 2kf2A4 ARG 152 HB2 0.01 -0.02 0.01 -0.04 1.90 1.87 2kf2A4 ARG 152 HB3 0.01 -0.12 0.19 -0.04 1.80 1.84 2kf2A4 ARG 152 HG2 0.02 0.19 -0.02 -0.04 1.67 1.82 2kf2A4 ARG 152 HG3 0.01 0.03 -0.12 -0.04 1.67 1.55 2kf2A4 ARG 152 HD2 0.01 -0.06 0.03 -0.04 3.22 3.16 2kf2A4 ARG 152 HD3 0.01 0.03 -0.01 -0.04 3.22 3.21 2kf2A4 THR 153 H 0.02 0.11 0.14 -0.55 8.28 8.00 2kf2A4 THR 153 HA 0.01 0.17 0.84 -0.75 4.39 4.66 2kf2A4 THR 153 HB 0.01 0.12 0.02 -0.04 4.32 4.42 2kf2A4 THR 153 HG23 0.02 -0.01 -0.09 -0.04 1.22 1.10 2kf2A4 ALA 154 H 0.01 0.13 0.12 -0.55 8.40 8.10 2kf2A4 ALA 154 HA 0.01 0.11 0.51 -0.75 4.34 4.21 2kf2A4 ALA 154 HB3 0.00 0.03 0.10 -0.04 1.41 1.50 2kf2A4 SER 155 H 0.00 0.12 0.16 -0.55 8.46 8.19 2kf2A4 SER 155 HA 0.00 0.17 0.63 -0.75 4.49 4.54 2kf2A4 SER 155 HB2 0.00 0.00 0.03 -0.04 3.95 3.95 2kf2A4 SER 155 HB3 0.00 0.05 0.09 -0.04 3.93 4.03 2kf2A4 VAL 156 H -0.00 0.02 -0.03 -0.55 8.24 7.68 2kf2A4 VAL 156 HA -0.01 0.08 0.75 -0.75 4.13 4.20 2kf2A4 VAL 156 HB -0.02 0.04 0.17 -0.04 2.12 2.26 2kf2A4 VAL 156 HG13 -0.03 0.05 -0.07 -0.04 0.97 0.87 2kf2A4 VAL 156 HG23 -0.01 -0.00 0.02 -0.04 0.95 0.92 2kf2A4 LEU 157 H -0.01 0.18 0.15 -0.55 8.37 8.14 2kf2A4 LEU 157 HA -0.01 0.17 0.60 -0.75 4.35 4.36 2kf2A4 LEU 157 HB2 -0.02 -0.04 0.04 -0.04 1.64 1.59 2kf2A4 LEU 157 HB3 -0.02 -0.00 0.07 -0.04 1.64 1.65 2kf2A4 LEU 157 HG -0.01 0.11 -0.10 -0.04 1.64 1.59 2kf2A4 LEU 157 HD13 -0.02 -0.01 -0.01 -0.04 0.93 0.85 2kf2A4 LEU 157 HD23 -0.01 0.01 -0.13 -0.04 0.89 0.72 2kf2A4 ALA 158 H -0.02 -0.07 -0.09 -0.55 8.40 7.67 2kf2A4 ALA 158 HA -0.02 0.18 0.65 -0.75 4.34 4.40 2kf2A4 ALA 158 HB3 -0.02 -0.00 0.00 -0.04 1.41 1.36 2kf2A4 ASP 159 H -0.02 0.14 0.06 -0.55 8.40 8.03 2kf2A4 ASP 159 HA -0.04 0.17 0.66 -0.75 4.63 4.67 2kf2A4 ASP 159 HB2 -0.01 0.04 0.07 -0.04 2.71 2.76 2kf2A4 ASP 159 HB3 -0.01 -0.02 0.20 -0.04 2.70 2.83 2kf2A4 LEU 160 H -0.08 0.36 0.02 -0.55 8.37 8.13 2kf2A4 LEU 160 HA -0.10 0.16 0.94 -0.75 4.35 4.59 2kf2A4 LEU 160 HB2 -0.07 -0.04 -0.15 -0.04 1.64 1.34 2kf2A4 LEU 160 HB3 -0.13 0.01 0.09 -0.04 1.64 1.56 2kf2A4 LEU 160 HG -0.26 0.05 -0.29 -0.04 1.64 1.11 2kf2A4 LEU 160 HD13 -0.05 -0.01 0.01 -0.04 0.93 0.84 2kf2A4 LEU 160 HD23 -0.05 -0.01 -0.05 -0.04 0.89 0.73 2kf2A4 GLU 161 H -0.20 0.16 0.04 -0.55 8.60 8.05 2kf2A4 GLU 161 HA -0.25 0.13 0.63 -0.75 4.29 4.04 2kf2A4 GLU 161 HB2 -0.79 -0.03 0.01 -0.04 2.09 1.24 2kf2A4 GLU 161 HB3 -0.29 0.03 -0.10 -0.04 1.99 1.59 2kf2A4 GLU 161 HG2 -0.07 0.04 -0.07 -0.04 2.34 2.21 2kf2A4 GLU 161 HG3 -0.08 -0.01 -0.09 -0.04 2.34 2.12 2kf2A4 HIS 162 H -0.18 0.18 0.08 -0.55 8.41 7.94 2kf2A4 HIS 162 HA -0.13 0.15 0.90 -0.75 4.63 4.80 2kf2A4 HIS 162 HB2 -0.06 -0.02 0.21 -0.04 3.26 3.36 2kf2A4 HIS 162 HB3 -0.10 0.04 0.08 -0.04 3.20 3.17 2kf2A4 HIS 162 HD2 -0.05 -0.00 0.04 -0.04 6.97 6.91 2kf2A4 HIS 162 HE1 -0.08 -0.02 -0.04 -0.04 7.75 7.57 2kf2A4 HIS 163 H 0.11 0.24 -0.10 -0.55 8.41 8.11 2kf2A4 HIS 163 HA 0.15 0.10 0.34 -0.75 4.63 4.46 2kf2A4 HIS 163 HB2 0.20 0.09 0.00 -0.04 3.26 3.50 2kf2A4 HIS 163 HB3 0.14 -0.14 0.08 -0.04 3.20 3.24 2kf2A4 HIS 163 HD2 0.07 0.02 -0.06 -0.04 6.97 6.95 2kf2A4 HIS 163 HE1 0.03 0.02 0.01 -0.04 7.75 7.77 2kf2A4 HIS 164 H 0.33 0.13 0.12 -0.55 8.41 8.44 2kf2A4 HIS 164 HA 0.14 0.17 0.33 -0.75 4.63 4.51 2kf2A4 HIS 164 HB2 0.09 0.01 0.11 -0.04 3.26 3.44 2kf2A4 HIS 164 HB3 0.09 -0.00 0.02 -0.04 3.20 3.27 2kf2A4 HIS 164 HD2 0.06 -0.01 -0.07 -0.04 6.97 6.90 2kf2A4 HIS 164 HE1 0.02 0.01 0.01 -0.04 7.75 7.74 2kf2A4 HIS 165 H 0.27 -0.01 -0.31 -0.55 8.41 7.81 2kf2A4 HIS 165 HA 0.06 0.16 0.50 -0.75 4.63 4.59 2kf2A4 HIS 165 HB2 0.01 -0.03 0.06 -0.04 3.26 3.26 2kf2A4 HIS 165 HB3 -0.08 -0.02 0.14 -0.04 3.20 3.20 2kf2A4 HIS 165 HD2 -0.13 -0.02 0.06 -0.04 6.97 6.84 2kf2A4 HIS 165 HE1 -0.01 -0.00 -0.01 -0.04 7.75 7.68 2kf2A4 HIS 166 H 0.02 0.59 -0.30 -0.55 8.41 8.18 2kf2A4 HIS 166 HA -0.07 0.11 0.37 -0.75 4.63 4.28 2kf2A4 HIS 166 HB2 -0.01 -0.01 0.05 -0.04 3.26 3.26 2kf2A4 HIS 166 HB3 0.01 -0.03 0.07 -0.04 3.20 3.22 2kf2A4 HIS 166 HD2 0.04 -0.04 0.04 -0.04 6.97 6.97 2kf2A4 HIS 166 HE1 0.12 -0.09 -0.00 -0.04 7.75 7.74 2kf2A4 HIS 167 H 0.13 0.15 0.02 -0.55 8.41 8.16 2kf2A4 HIS 167 HA -0.05 0.11 0.19 -0.75 4.63 4.13 2kf2A4 HIS 167 HB2 -0.03 0.25 0.15 -0.04 3.26 3.59 2kf2A4 HIS 167 HB3 -0.01 -0.03 -0.11 -0.04 3.20 3.00 2kf2A4 HIS 167 HD2 -0.02 0.02 0.06 -0.04 6.97 6.98 2kf2A4 HIS 167 HE1 -0.02 -0.01 0.01 -0.04 7.75 7.69