============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 2 1.040 -37.060 6.041 20.707 -99.200 -91.000 TRP6 2 1.020 -39.164 6.636 19.823 -99.200 -91.000 PHE 6 1.000 -31.295 -12.436 19.187 -99.200 -91.000 TYR 11 0.840 -22.380 -11.235 3.806 -99.200 -91.000 TYR 13 0.840 -17.818 -9.341 6.451 -99.200 -91.000 PHE 20 1.000 1.684 -9.472 4.025 -99.200 -91.000 PHE 46 1.000 -8.109 -11.014 0.810 -99.200 -91.000 TYR 52 0.840 -12.710 -4.989 6.016 -99.200 -91.000 PHE 88 1.000 -7.206 13.022 -3.506 -99.200 -91.000 TRP 95 1.040 -9.388 9.467 0.800 -99.200 -91.000 TRP6 95 1.020 -11.123 8.889 -0.686 -99.200 -91.000 PHE 102 1.000 3.885 -5.419 -3.443 -99.200 -91.000 HIS 104 0.900 6.416 -2.262 -7.532 -99.200 -91.000 TYR 114 0.840 9.725 6.674 0.453 -99.200 -91.000 TYR 118 0.840 7.105 12.563 9.313 -99.200 -91.000 PHE 127 1.000 4.134 2.802 2.423 -99.200 -91.000 PHE 132 1.000 11.164 -7.150 -4.961 -99.200 -91.000 TYR 139 0.840 19.159 -13.765 -6.464 -99.200 -91.000 TRP 165 1.040 7.941 0.856 9.680 -99.200 -91.000 TRP6 165 1.020 6.877 1.083 7.592 -99.200 -91.000 TYR 180 0.840 20.861 -22.169 -12.325 -99.200 -91.000 HIS 181 0.900 22.962 -26.418 -5.181 -99.200 -91.000 HIS 197 0.900 3.089 1.182 19.701 -99.200 -91.000 HIS 198 0.900 1.136 6.842 25.110 -99.200 -91.000 HIS 199 0.900 6.044 7.555 18.253 -99.200 -91.000 HIS 200 0.900 5.312 2.756 24.485 -99.200 -91.000 HIS 201 0.900 7.585 11.597 25.118 -99.200 -91.000 HIS 202 0.900 10.463 10.120 31.882 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2kw5A1 MET 1 HA 0.03 -0.12 0.19 -0.75 4.52 3.86 2kw5A1 MET 1 HB2 0.01 0.01 0.01 -0.04 2.15 2.14 2kw5A1 MET 1 HB3 0.06 -0.03 -0.11 -0.04 2.03 1.90 2kw5A1 MET 1 HG2 0.03 -0.01 0.01 -0.04 2.63 2.62 2kw5A1 MET 1 HG3 -0.00 0.00 0.01 -0.04 2.56 2.53 2kw5A1 MET 1 HE3 0.01 0.00 -0.01 -0.04 2.10 2.07 2kw5A1 TRP 2 H 0.25 0.06 0.04 -0.55 7.97 7.78 2kw5A1 TRP 2 HA 0.01 0.05 0.30 -0.75 4.62 4.23 2kw5A1 TRP 2 HB2 0.01 -0.05 0.20 -0.04 3.23 3.35 2kw5A1 TRP 2 HB3 0.01 0.02 0.06 -0.04 3.23 3.27 2kw5A1 TRP 2 HD1 0.00 -0.01 0.08 -0.04 7.22 7.25 2kw5A1 TRP 2 HE1 0.00 -0.00 0.02 -0.04 10.20 10.18 2kw5A1 TRP 2 HE3 0.00 0.01 0.01 -0.04 7.59 7.57 2kw5A1 TRP 2 HZ2 0.00 -0.01 0.01 -0.04 7.44 7.40 2kw5A1 TRP 2 HZ3 0.00 -0.01 -0.00 -0.04 7.13 7.08 2kw5A1 TRP 2 HH2 0.00 -0.01 0.00 -0.04 7.19 7.14 2kw5A1 ASP 3 H 0.26 0.16 0.01 -0.55 8.40 8.28 2kw5A1 ASP 3 HA 0.10 0.11 0.53 -0.75 4.63 4.61 2kw5A1 ASP 3 HB2 0.14 0.19 -0.19 -0.04 2.71 2.80 2kw5A1 ASP 3 HB3 0.13 -0.06 -0.14 -0.04 2.70 2.58 2kw5A1 GLU 4 H 0.07 0.23 0.09 -0.55 8.60 8.45 2kw5A1 GLU 4 HA 0.06 0.14 0.87 -0.75 4.29 4.60 2kw5A1 GLU 4 HB2 0.06 0.01 -0.04 -0.04 2.09 2.08 2kw5A1 GLU 4 HB3 0.06 -0.01 0.07 -0.04 1.99 2.07 2kw5A1 GLU 4 HG2 0.05 -0.01 -0.04 -0.04 2.34 2.29 2kw5A1 GLU 4 HG3 0.06 0.09 -0.24 -0.04 2.34 2.20 2kw5A1 ARG 5 H 0.04 0.16 0.08 -0.55 8.46 8.19 2kw5A1 ARG 5 HA 0.08 0.05 0.41 -0.75 4.34 4.13 2kw5A1 ARG 5 HB2 0.02 0.01 0.07 -0.04 1.90 1.96 2kw5A1 ARG 5 HB3 0.04 0.05 -0.07 -0.04 1.80 1.78 2kw5A1 ARG 5 HG2 0.03 -0.01 -0.02 -0.04 1.67 1.63 2kw5A1 ARG 5 HG3 0.02 0.04 -0.01 -0.04 1.67 1.67 2kw5A1 ARG 5 HD2 0.05 -0.02 -0.16 -0.04 3.22 3.05 2kw5A1 ARG 5 HD3 0.03 0.02 -0.07 -0.04 3.22 3.16 2kw5A1 PHE 6 H 0.19 0.15 0.16 -0.55 8.34 8.28 2kw5A1 PHE 6 HA 0.01 0.11 0.65 -0.75 4.62 4.64 2kw5A1 PHE 6 HB2 0.01 0.05 0.12 -0.04 3.15 3.30 2kw5A1 PHE 6 HB3 0.01 -0.03 0.20 -0.04 3.06 3.20 2kw5A1 PHE 6 HD2 0.01 -0.02 -0.02 -0.04 7.28 7.20 2kw5A1 PHE 6 HE2 0.01 0.00 -0.04 -0.04 7.38 7.31 2kw5A1 PHE 6 HZ 0.00 0.01 -0.05 -0.04 7.32 7.25 2kw5A1 SER 7 H -0.23 0.25 0.08 -0.55 8.46 8.01 2kw5A1 SER 7 HA -0.09 0.03 0.41 -0.75 4.49 4.08 2kw5A1 SER 7 HB2 -0.10 0.07 0.07 -0.04 3.95 3.95 2kw5A1 SER 7 HB3 -0.07 0.03 0.06 -0.04 3.93 3.91 2kw5A1 GLN 8 H -0.09 0.48 0.24 -0.55 8.47 8.55 2kw5A1 GLN 8 HA -0.20 0.11 0.52 -0.75 4.36 4.03 2kw5A1 GLN 8 HB2 0.12 -0.01 0.05 -0.04 2.15 2.27 2kw5A1 GLN 8 HB3 0.30 -0.00 0.03 -0.04 2.02 2.31 2kw5A1 GLN 8 HG2 0.11 0.11 0.15 -0.04 2.40 2.72 2kw5A1 GLN 8 HG3 0.05 0.01 -0.09 -0.04 2.39 2.32 2kw5A1 GLN 8 HE21 0.08 0.02 0.04 -0.04 6.97 7.07 2kw5A1 GLN 8 HE22 0.07 -0.02 0.02 -0.04 7.69 7.72 2kw5A1 SER 9 H -0.04 0.02 -0.09 -0.55 8.46 7.80 2kw5A1 SER 9 HA -0.00 0.07 0.44 -0.75 4.49 4.25 2kw5A1 SER 9 HB2 -0.01 -0.02 0.15 -0.04 3.95 4.03 2kw5A1 SER 9 HB3 -0.01 0.09 0.06 -0.04 3.93 4.03 2kw5A1 GLU 10 H -0.01 0.26 0.29 -0.55 8.60 8.58 2kw5A1 GLU 10 HA -0.03 0.13 0.64 -0.75 4.29 4.27 2kw5A1 GLU 10 HB2 -0.06 -0.05 0.04 -0.04 2.09 1.98 2kw5A1 GLU 10 HB3 -0.04 0.06 0.07 -0.04 1.99 2.04 2kw5A1 GLU 10 HG2 -0.01 0.04 0.11 -0.04 2.34 2.44 2kw5A1 GLU 10 HG3 -0.02 -0.04 -0.20 -0.04 2.34 2.04 2kw5A1 TYR 11 H -0.08 0.19 -0.06 -0.55 8.29 7.79 2kw5A1 TYR 11 HA -0.13 0.06 0.34 -0.75 4.56 4.08 2kw5A1 TYR 11 HB2 -0.08 0.09 -0.06 -0.04 3.06 2.96 2kw5A1 TYR 11 HB3 -0.17 -0.00 0.06 -0.04 2.98 2.83 2kw5A1 TYR 11 HD2 -0.03 -0.01 -0.00 -0.04 7.15 7.07 2kw5A1 TYR 11 HE2 0.09 -0.00 -0.02 -0.04 6.85 6.88 2kw5A1 VAL 12 H -0.28 0.10 0.00 -0.55 8.24 7.52 2kw5A1 VAL 12 HA -0.46 0.08 0.70 -0.75 4.13 3.70 2kw5A1 VAL 12 HB -0.21 -0.01 0.07 -0.04 2.12 1.93 2kw5A1 VAL 12 HG13 -0.14 0.03 -0.08 -0.04 0.97 0.74 2kw5A1 VAL 12 HG23 -0.13 -0.01 0.02 -0.04 0.95 0.79 2kw5A1 TYR 13 H -0.38 0.10 0.13 -0.55 8.29 7.59 2kw5A1 TYR 13 HA -0.51 0.05 0.28 -0.75 4.56 3.62 2kw5A1 TYR 13 HB2 -0.21 -0.11 0.15 -0.04 3.06 2.86 2kw5A1 TYR 13 HB3 -0.22 0.40 0.11 -0.04 2.98 3.22 2kw5A1 TYR 13 HD2 -0.05 -0.06 -0.05 -0.04 7.15 6.95 2kw5A1 TYR 13 HE2 0.14 -0.08 0.02 -0.04 6.85 6.89 2kw5A1 GLY 14 H -0.18 0.17 0.17 -0.55 8.43 8.05 2kw5A1 GLY 14 HA2 -0.09 0.00 0.47 -0.51 4.01 3.87 2kw5A1 GLY 14 HA3 -0.06 0.01 0.40 -0.51 4.01 3.85 2kw5A1 THR 15 H -0.10 0.41 0.28 -0.55 8.28 8.32 2kw5A1 THR 15 HA -0.16 0.09 0.70 -0.75 4.39 4.26 2kw5A1 THR 15 HB -0.28 -0.02 -0.12 -0.04 4.32 3.86 2kw5A1 THR 15 HG23 -0.92 0.01 -0.11 -0.04 1.22 0.16 2kw5A1 GLU 16 H -0.05 0.11 0.05 -0.55 8.60 8.16 2kw5A1 GLU 16 HA 0.01 0.11 0.41 -0.75 4.29 4.07 2kw5A1 GLU 16 HB2 0.13 -0.07 0.07 -0.04 2.09 2.18 2kw5A1 GLU 16 HB3 0.07 0.04 -0.02 -0.04 1.99 2.05 2kw5A1 GLU 16 HG2 0.05 -0.03 -0.00 -0.04 2.34 2.32 2kw5A1 GLU 16 HG3 0.02 0.04 -0.01 -0.04 2.34 2.35 2kw5A1 PRO 17 HA 0.08 0.04 0.38 -0.51 4.44 4.43 2kw5A1 PRO 17 HB2 0.04 -0.04 0.08 -0.04 2.28 2.32 2kw5A1 PRO 17 HB3 0.04 0.03 0.06 -0.04 2.02 2.11 2kw5A1 PRO 17 HG2 0.02 -0.01 0.09 -0.04 2.03 2.09 2kw5A1 PRO 17 HG3 0.01 0.10 0.11 -0.04 2.03 2.22 2kw5A1 PRO 17 HD2 0.03 0.02 0.20 -0.04 3.68 3.88 2kw5A1 PRO 17 HD3 0.01 0.27 0.29 -0.04 3.65 4.18 2kw5A1 ASN 18 H 0.16 0.20 0.17 -0.55 8.53 8.52 2kw5A1 ASN 18 HA 0.07 0.13 0.75 -0.75 4.76 4.96 2kw5A1 ASN 18 HB2 0.20 0.22 -0.11 -0.04 2.88 3.15 2kw5A1 ASN 18 HB3 0.11 -0.00 -0.06 -0.04 2.79 2.80 2kw5A1 ASN 18 HD21 -0.55 0.15 -0.07 -0.04 7.03 6.52 2kw5A1 ASN 18 HD22 -0.26 -0.06 -0.02 -0.04 7.74 7.36 2kw5A1 ASP 19 H 0.05 0.12 0.09 -0.55 8.40 8.11 2kw5A1 ASP 19 HA 0.06 0.19 0.43 -0.75 4.63 4.55 2kw5A1 ASP 19 HB2 0.08 -0.16 0.22 -0.04 2.71 2.81 2kw5A1 ASP 19 HB3 0.07 0.07 0.07 -0.04 2.70 2.88 2kw5A1 PHE 20 H 0.16 0.09 0.09 -0.55 8.34 8.13 2kw5A1 PHE 20 HA 0.01 0.16 0.27 -0.75 4.62 4.31 2kw5A1 PHE 20 HB2 0.00 0.06 0.06 -0.04 3.15 3.23 2kw5A1 PHE 20 HB3 -0.01 -0.03 0.13 -0.04 3.06 3.11 2kw5A1 PHE 20 HD2 0.01 0.01 -0.04 -0.04 7.28 7.22 2kw5A1 PHE 20 HE2 0.04 0.01 -0.09 -0.04 7.38 7.31 2kw5A1 PHE 20 HZ 0.06 0.04 -0.08 -0.04 7.32 7.30 2kw5A1 LEU 21 H -0.07 0.06 -0.12 -0.55 8.37 7.70 2kw5A1 LEU 21 HA -0.53 0.04 0.06 -0.75 4.35 3.16 2kw5A1 LEU 21 HB2 -0.25 -0.05 0.05 -0.04 1.64 1.35 2kw5A1 LEU 21 HB3 -0.66 0.09 -0.05 -0.04 1.64 0.98 2kw5A1 LEU 21 HG -0.33 0.07 0.01 -0.04 1.64 1.34 2kw5A1 LEU 21 HD13 -0.16 -0.01 -0.02 -0.04 0.93 0.70 2kw5A1 LEU 21 HD23 -0.75 0.02 -0.02 -0.04 0.89 0.11 2kw5A1 VAL 22 H -0.07 0.22 -0.72 -0.55 8.24 7.12 2kw5A1 VAL 22 HA 0.14 0.14 0.46 -0.75 4.13 4.12 2kw5A1 VAL 22 HB 0.08 0.04 0.03 -0.04 2.12 2.24 2kw5A1 VAL 22 HG13 0.24 -0.03 -0.03 -0.04 0.97 1.10 2kw5A1 VAL 22 HG23 0.04 0.05 -0.05 -0.04 0.95 0.95 2kw5A1 SER 23 H -0.11 0.34 -0.04 -0.55 8.46 8.11 2kw5A1 SER 23 HA -0.01 0.14 0.48 -0.75 4.49 4.35 2kw5A1 SER 23 HB2 -0.00 0.02 0.01 -0.04 3.95 3.93 2kw5A1 SER 23 HB3 -0.00 0.04 0.12 -0.04 3.93 4.04 2kw5A1 VAL 24 H -0.27 0.17 -0.12 -0.55 8.24 7.47 2kw5A1 VAL 24 HA -0.05 0.11 0.40 -0.75 4.13 3.83 2kw5A1 VAL 24 HB -0.07 0.02 -0.02 -0.04 2.12 2.01 2kw5A1 VAL 24 HG13 -0.43 0.01 -0.05 -0.04 0.97 0.46 2kw5A1 VAL 24 HG23 -0.20 0.03 -0.08 -0.04 0.95 0.65 2kw5A1 ALA 25 H -0.03 0.29 -0.27 -0.55 8.40 7.84 2kw5A1 ALA 25 HA 0.12 0.03 0.39 -0.75 4.34 4.13 2kw5A1 ALA 25 HB3 0.18 0.04 0.07 -0.04 1.41 1.65 2kw5A1 ASN 26 H 0.04 0.25 -0.47 -0.55 8.53 7.80 2kw5A1 ASN 26 HA 0.07 0.06 0.44 -0.75 4.76 4.58 2kw5A1 ASN 26 HB2 0.04 0.13 0.19 -0.04 2.88 3.19 2kw5A1 ASN 26 HB3 0.02 0.09 0.08 -0.04 2.79 2.94 2kw5A1 ASN 26 HD21 0.03 0.09 0.15 -0.04 7.03 7.25 2kw5A1 ASN 26 HD22 0.03 -0.07 0.03 -0.04 7.74 7.69 2kw5A1 GLN 27 H 0.01 0.14 -0.54 -0.55 8.47 7.53 2kw5A1 GLN 27 HA -0.00 0.04 0.50 -0.75 4.36 4.15 2kw5A1 GLN 27 HB2 -0.00 0.13 0.12 -0.04 2.15 2.36 2kw5A1 GLN 27 HB3 0.00 -0.11 0.03 -0.04 2.02 1.90 2kw5A1 GLN 27 HG2 0.00 0.34 0.07 -0.04 2.40 2.77 2kw5A1 GLN 27 HG3 0.02 -0.13 -0.05 -0.04 2.39 2.18 2kw5A1 GLN 27 HE21 0.02 0.04 -0.06 -0.04 6.97 6.93 2kw5A1 GLN 27 HE22 0.02 -0.04 -0.07 -0.04 7.69 7.56 2kw5A1 ILE 28 H -0.00 0.18 -0.22 -0.55 8.25 7.66 2kw5A1 ILE 28 HA -0.05 0.01 0.36 -0.75 4.18 3.74 2kw5A1 ILE 28 HB -0.02 0.08 0.04 -0.04 1.89 1.95 2kw5A1 ILE 28 HG12 -0.01 -0.06 -0.00 -0.04 1.49 1.38 2kw5A1 ILE 28 HG13 0.01 0.36 0.00 -0.04 1.21 1.54 2kw5A1 ILE 28 HG23 -0.07 0.04 -0.10 -0.04 0.93 0.75 2kw5A1 ILE 28 HD13 0.04 -0.06 -0.13 -0.04 0.88 0.70 2kw5A1 PRO 29 HA -0.14 0.06 0.50 -0.51 4.44 4.34 2kw5A1 PRO 29 HB2 -0.10 -0.11 -0.02 -0.04 2.28 2.01 2kw5A1 PRO 29 HB3 -0.08 0.01 0.08 -0.04 2.02 1.99 2kw5A1 PRO 29 HG2 -0.05 0.15 0.18 -0.04 2.03 2.27 2kw5A1 PRO 29 HG3 -0.06 0.04 0.14 -0.04 2.03 2.10 2kw5A1 PRO 29 HD2 -0.07 0.02 0.28 -0.04 3.68 3.87 2kw5A1 PRO 29 HD3 -0.06 0.19 0.26 -0.04 3.65 4.00 2kw5A1 GLN 30 H -0.24 0.14 0.11 -0.55 8.47 7.93 2kw5A1 GLN 30 HA -1.25 0.15 0.29 -0.75 4.36 2.80 2kw5A1 GLN 30 HB2 -0.06 0.06 0.15 -0.04 2.15 2.27 2kw5A1 GLN 30 HB3 -0.22 0.06 0.11 -0.04 2.02 1.92 2kw5A1 GLN 30 HG2 -0.09 -0.05 0.08 -0.04 2.40 2.29 2kw5A1 GLN 30 HG3 -0.05 -0.02 -0.05 -0.04 2.39 2.24 2kw5A1 GLN 30 HE21 -0.01 -0.02 0.02 -0.04 6.97 6.92 2kw5A1 GLN 30 HE22 0.03 -0.02 0.02 -0.04 7.69 7.68 2kw5A1 GLY 31 H -0.19 0.31 -0.92 -0.55 8.43 7.08 2kw5A1 GLY 31 HA2 -0.02 0.19 0.68 -0.51 4.01 4.34 2kw5A1 GLY 31 HA3 -0.03 -0.06 0.24 -0.51 4.01 3.64 2kw5A1 LYS 32 H 0.03 0.10 0.13 -0.55 8.42 8.12 2kw5A1 LYS 32 HA 0.07 0.49 0.70 -0.75 4.32 4.82 2kw5A1 LYS 32 HB2 0.15 -0.10 0.25 -0.04 1.87 2.14 2kw5A1 LYS 32 HB3 0.26 0.00 0.04 -0.04 1.79 2.05 2kw5A1 LYS 32 HG2 0.12 0.02 0.02 -0.04 1.46 1.59 2kw5A1 LYS 32 HG3 0.11 0.05 -0.01 -0.04 1.46 1.57 2kw5A1 LYS 32 HD2 0.05 -0.06 -0.09 -0.04 1.69 1.54 2kw5A1 LYS 32 HD3 0.05 -0.01 0.07 -0.04 1.68 1.75 2kw5A1 LYS 32 HE2 0.05 0.01 -0.02 -0.04 2.99 2.99 2kw5A1 LYS 32 HE3 0.03 0.02 -0.00 -0.04 2.99 3.00 2kw5A1 ILE 33 H 0.01 0.57 0.34 -0.55 8.25 8.62 2kw5A1 ILE 33 HA -0.05 0.14 0.29 -0.75 4.18 3.82 2kw5A1 ILE 33 HB -0.00 -0.08 -0.03 -0.04 1.89 1.74 2kw5A1 ILE 33 HG12 -0.07 0.03 -0.33 -0.04 1.49 1.08 2kw5A1 ILE 33 HG13 -0.01 0.25 -0.31 -0.04 1.21 1.10 2kw5A1 ILE 33 HG23 -0.03 -0.02 -0.42 -0.04 0.93 0.42 2kw5A1 ILE 33 HD13 0.02 0.01 -0.19 -0.04 0.88 0.68 2kw5A1 LEU 34 H -0.16 0.50 0.28 -0.55 8.37 8.44 2kw5A1 LEU 34 HA -0.44 0.33 0.68 -0.75 4.35 4.17 2kw5A1 LEU 34 HB2 -0.90 0.01 0.10 -0.04 1.64 0.81 2kw5A1 LEU 34 HB3 -0.37 -0.07 0.26 -0.04 1.64 1.42 2kw5A1 LEU 34 HG -0.40 -0.01 -0.27 -0.04 1.64 0.92 2kw5A1 LEU 34 HD13 -0.89 0.04 -0.02 -0.04 0.93 0.01 2kw5A1 LEU 34 HD23 -0.76 0.05 0.05 -0.04 0.89 0.18 2kw5A1 CYS 35 H -0.21 0.67 0.50 -0.55 8.50 8.91 2kw5A1 CYS 35 HA -0.10 0.41 0.92 -0.75 4.58 5.05 2kw5A1 CYS 35 HB2 -0.08 -0.15 0.22 -0.04 2.97 2.91 2kw5A1 CYS 35 HB3 -0.06 0.00 0.14 -0.04 2.97 3.01 2kw5A1 LEU 36 H -0.09 0.26 0.36 -0.55 8.37 8.35 2kw5A1 LEU 36 HA -0.08 0.11 0.87 -0.75 4.35 4.50 2kw5A1 LEU 36 HB2 -0.04 -0.01 0.13 -0.04 1.64 1.67 2kw5A1 LEU 36 HB3 -0.03 -0.04 0.10 -0.04 1.64 1.62 2kw5A1 LEU 36 HG -0.14 0.09 -0.07 -0.04 1.64 1.48 2kw5A1 LEU 36 HD13 -0.13 -0.01 -0.08 -0.04 0.93 0.66 2kw5A1 LEU 36 HD23 -0.12 -0.00 -0.15 -0.04 0.89 0.57 2kw5A1 ALA 37 H -0.02 0.02 0.05 -0.55 8.40 7.90 2kw5A1 ALA 37 HA -0.00 0.14 0.55 -0.75 4.34 4.28 2kw5A1 ALA 37 HB3 0.02 -0.03 0.12 -0.04 1.41 1.47 2kw5A1 GLU 38 H 0.01 0.22 0.26 -0.55 8.60 8.53 2kw5A1 GLU 38 HA 0.06 0.11 0.60 -0.75 4.29 4.31 2kw5A1 GLU 38 HB2 -0.02 0.21 -0.27 -0.04 2.09 1.97 2kw5A1 GLU 38 HB3 -0.02 -0.06 -0.20 -0.04 1.99 1.67 2kw5A1 GLU 38 HG2 0.09 0.27 0.03 -0.04 2.34 2.70 2kw5A1 GLU 38 HG3 -0.20 -0.06 -0.09 -0.04 2.34 1.95 2kw5A1 GLY 39 H 0.02 0.24 0.14 -0.55 8.43 8.27 2kw5A1 GLY 39 HA2 -0.00 0.04 0.40 -0.51 4.01 3.94 2kw5A1 GLY 39 HA3 -0.01 0.08 0.33 -0.51 4.01 3.90 2kw5A1 GLU 40 H 0.04 0.11 -0.32 -0.55 8.60 7.87 2kw5A1 GLU 40 HA 0.02 0.20 0.78 -0.75 4.29 4.54 2kw5A1 GLU 40 HB2 0.08 0.02 0.13 -0.04 2.09 2.28 2kw5A1 GLU 40 HB3 0.04 -0.08 0.12 -0.04 1.99 2.02 2kw5A1 GLU 40 HG2 0.05 0.02 -0.16 -0.04 2.34 2.21 2kw5A1 GLU 40 HG3 0.06 0.03 0.00 -0.04 2.34 2.40 2kw5A1 GLY 41 H 0.01 0.33 -0.10 -0.55 8.43 8.12 2kw5A1 GLY 41 HA2 -0.02 0.15 0.70 -0.51 4.01 4.33 2kw5A1 GLY 41 HA3 -0.00 0.14 0.35 -0.51 4.01 3.99 2kw5A1 ARG 42 H 0.01 0.06 -0.53 -0.55 8.46 7.45 2kw5A1 ARG 42 HA 0.03 0.15 0.47 -0.75 4.34 4.24 2kw5A1 ARG 42 HB2 0.03 0.02 0.05 -0.04 1.90 1.96 2kw5A1 ARG 42 HB3 0.03 -0.00 -0.01 -0.04 1.80 1.77 2kw5A1 ARG 42 HG2 0.06 0.01 -0.13 -0.04 1.67 1.57 2kw5A1 ARG 42 HG3 0.04 0.05 0.03 -0.04 1.67 1.75 2kw5A1 ARG 42 HD2 0.03 0.00 -0.01 -0.04 3.22 3.21 2kw5A1 ARG 42 HD3 0.04 -0.02 -0.04 -0.04 3.22 3.15 2kw5A1 ASN 43 H -0.00 0.17 -0.25 -0.55 8.53 7.90 2kw5A1 ASN 43 HA -0.01 0.10 0.37 -0.75 4.76 4.46 2kw5A1 ASN 43 HB2 -0.05 0.04 0.02 -0.04 2.88 2.85 2kw5A1 ASN 43 HB3 -0.06 0.05 -0.01 -0.04 2.79 2.73 2kw5A1 ASN 43 HD21 -0.07 0.01 -0.01 -0.04 7.03 6.93 2kw5A1 ASN 43 HD22 -0.01 -0.01 0.00 -0.04 7.74 7.68 2kw5A1 ALA 44 H 0.01 0.12 -0.54 -0.55 8.40 7.44 2kw5A1 ALA 44 HA 0.02 0.09 0.33 -0.75 4.34 4.03 2kw5A1 ALA 44 HB3 -0.01 0.05 0.05 -0.04 1.41 1.46 2kw5A1 CYS 45 H 0.04 0.22 -0.17 -0.55 8.50 8.04 2kw5A1 CYS 45 HA 0.02 0.10 0.32 -0.75 4.58 4.26 2kw5A1 CYS 45 HB2 0.05 0.07 -0.04 -0.04 2.97 3.01 2kw5A1 CYS 45 HB3 0.02 0.07 -0.15 -0.04 2.97 2.87 2kw5A1 PHE 46 H 0.16 0.26 -0.36 -0.55 8.34 7.84 2kw5A1 PHE 46 HA -0.04 0.08 0.47 -0.75 4.62 4.37 2kw5A1 PHE 46 HB2 -0.01 -0.02 0.05 -0.04 3.15 3.13 2kw5A1 PHE 46 HB3 -0.03 0.18 0.12 -0.04 3.06 3.29 2kw5A1 PHE 46 HD2 -0.03 0.03 -0.19 -0.04 7.28 7.05 2kw5A1 PHE 46 HE2 -0.03 0.16 -0.15 -0.04 7.38 7.33 2kw5A1 PHE 46 HZ -0.03 -0.05 -0.15 -0.04 7.32 7.05 2kw5A1 LEU 47 H 0.17 0.34 -0.25 -0.55 8.37 8.08 2kw5A1 LEU 47 HA -0.02 0.05 0.31 -0.75 4.35 3.94 2kw5A1 LEU 47 HB2 0.08 0.12 0.07 -0.04 1.64 1.87 2kw5A1 LEU 47 HB3 0.17 0.02 -0.03 -0.04 1.64 1.77 2kw5A1 LEU 47 HG 0.16 0.26 0.07 -0.04 1.64 2.08 2kw5A1 LEU 47 HD13 0.05 -0.04 -0.12 -0.04 0.93 0.78 2kw5A1 LEU 47 HD23 0.22 -0.01 -0.06 -0.04 0.89 0.99 2kw5A1 ALA 48 H -0.01 0.25 -0.31 -0.55 8.40 7.78 2kw5A1 ALA 48 HA -0.03 0.36 0.58 -0.75 4.34 4.49 2kw5A1 ALA 48 HB3 -0.01 0.00 0.08 -0.04 1.41 1.44 2kw5A1 SER 49 H -0.13 0.43 -0.21 -0.55 8.46 8.00 2kw5A1 SER 49 HA -0.08 0.09 0.49 -0.75 4.49 4.23 2kw5A1 SER 49 HB2 -0.13 0.17 0.08 -0.04 3.95 4.04 2kw5A1 SER 49 HB3 -0.09 -0.00 0.12 -0.04 3.93 3.92 2kw5A1 LEU 50 H -0.43 0.20 -0.73 -0.55 8.37 6.87 2kw5A1 LEU 50 HA -0.55 0.06 0.56 -0.75 4.35 3.66 2kw5A1 LEU 50 HB2 -1.42 0.26 0.07 -0.04 1.64 0.51 2kw5A1 LEU 50 HB3 -1.22 -0.04 0.11 -0.04 1.64 0.45 2kw5A1 LEU 50 HG -0.58 0.29 -0.02 -0.04 1.64 1.29 2kw5A1 LEU 50 HD13 -0.11 -0.04 -0.06 -0.04 0.93 0.68 2kw5A1 LEU 50 HD23 -0.41 -0.02 -0.11 -0.04 0.89 0.31 2kw5A1 GLY 51 H -0.33 0.32 -0.56 -0.55 8.43 7.31 2kw5A1 GLY 51 HA2 -0.05 0.00 0.26 -0.51 4.01 3.71 2kw5A1 GLY 51 HA3 -0.48 0.05 0.53 -0.51 4.01 3.60 2kw5A1 TYR 52 H -0.27 0.11 -0.20 -0.55 8.29 7.39 2kw5A1 TYR 52 HA -0.07 0.21 0.51 -0.75 4.56 4.46 2kw5A1 TYR 52 HB2 -0.07 0.04 -0.12 -0.04 3.06 2.87 2kw5A1 TYR 52 HB3 -0.05 0.06 -0.15 -0.04 2.98 2.80 2kw5A1 TYR 52 HD2 -0.12 -0.06 -0.26 -0.04 7.15 6.68 2kw5A1 TYR 52 HE2 -0.10 -0.04 -0.02 -0.04 6.85 6.64 2kw5A1 GLU 53 H 0.08 0.31 0.06 -0.55 8.60 8.51 2kw5A1 GLU 53 HA 0.05 0.12 0.67 -0.75 4.29 4.37 2kw5A1 GLU 53 HB2 0.06 -0.04 0.01 -0.04 2.09 2.08 2kw5A1 GLU 53 HB3 0.06 -0.06 -0.03 -0.04 1.99 1.92 2kw5A1 GLU 53 HG2 0.04 0.01 -0.05 -0.04 2.34 2.30 2kw5A1 GLU 53 HG3 0.05 0.11 -0.02 -0.04 2.34 2.44 2kw5A1 VAL 54 H 0.03 0.38 0.18 -0.55 8.24 8.29 2kw5A1 VAL 54 HA 0.00 0.10 0.72 -0.75 4.13 4.20 2kw5A1 VAL 54 HB 0.01 0.02 0.11 -0.04 2.12 2.23 2kw5A1 VAL 54 HG13 -0.02 -0.02 -0.13 -0.04 0.97 0.76 2kw5A1 VAL 54 HG23 0.06 0.05 -0.30 -0.04 0.95 0.72 2kw5A1 THR 55 H -0.09 0.67 0.27 -0.55 8.28 8.58 2kw5A1 THR 55 HA -0.04 -0.06 1.00 -0.75 4.39 4.54 2kw5A1 THR 55 HB 0.02 0.00 -0.05 -0.04 4.32 4.25 2kw5A1 THR 55 HG23 -0.44 -0.02 -0.13 -0.04 1.22 0.59 2kw5A1 ALA 56 H -0.06 0.32 0.21 -0.55 8.40 8.33 2kw5A1 ALA 56 HA -0.11 0.07 0.84 -0.75 4.34 4.40 2kw5A1 ALA 56 HB3 -0.03 -0.01 -0.00 -0.04 1.41 1.32 2kw5A1 VAL 57 H -0.09 0.56 0.22 -0.55 8.24 8.38 2kw5A1 VAL 57 HA -0.01 0.39 0.98 -0.75 4.13 4.74 2kw5A1 VAL 57 HB -0.04 -0.16 0.15 -0.04 2.12 2.04 2kw5A1 VAL 57 HG13 0.05 -0.05 -0.16 -0.04 0.97 0.77 2kw5A1 VAL 57 HG23 -0.06 0.07 -0.03 -0.04 0.95 0.88 2kw5A1 ASP 58 H 0.01 0.63 0.33 -0.55 8.40 8.83 2kw5A1 ASP 58 HA 0.01 -0.06 0.22 -0.75 4.63 4.05 2kw5A1 ASP 58 HB2 0.00 0.13 0.05 -0.04 2.71 2.85 2kw5A1 ASP 58 HB3 0.01 0.20 0.18 -0.04 2.70 3.04 2kw5A1 GLN 59 H 0.02 0.10 0.19 -0.55 8.47 8.24 2kw5A1 GLN 59 HA 0.03 0.26 0.59 -0.75 4.36 4.48 2kw5A1 GLN 59 HB2 0.02 -0.04 0.11 -0.04 2.15 2.20 2kw5A1 GLN 59 HB3 0.02 0.03 0.16 -0.04 2.02 2.18 2kw5A1 GLN 59 HG2 0.03 0.28 0.32 -0.04 2.40 3.00 2kw5A1 GLN 59 HG3 0.02 -0.08 0.19 -0.04 2.39 2.48 2kw5A1 GLN 59 HE21 0.02 0.06 0.06 -0.04 6.97 7.08 2kw5A1 GLN 59 HE22 0.02 0.00 0.05 -0.04 7.69 7.72 2kw5A1 SER 60 H 0.01 -0.01 -0.31 -0.55 8.46 7.60 2kw5A1 SER 60 HA 0.01 0.23 0.84 -0.75 4.49 4.81 2kw5A1 SER 60 HB2 0.01 -0.08 0.06 -0.04 3.95 3.90 2kw5A1 SER 60 HB3 0.01 -0.01 0.09 -0.04 3.93 3.97 2kw5A1 SER 61 H 0.01 0.25 0.16 -0.55 8.46 8.33 2kw5A1 SER 61 HA 0.01 0.15 0.46 -0.75 4.49 4.36 2kw5A1 SER 61 HB2 0.01 0.02 0.07 -0.04 3.95 4.01 2kw5A1 SER 61 HB3 0.01 0.05 0.07 -0.04 3.93 4.01 2kw5A1 VAL 62 H 0.01 0.07 -0.14 -0.55 8.24 7.63 2kw5A1 VAL 62 HA 0.01 0.14 0.43 -0.75 4.13 3.95 2kw5A1 VAL 62 HB 0.01 0.09 0.04 -0.04 2.12 2.21 2kw5A1 VAL 62 HG13 0.00 0.01 0.04 -0.04 0.97 0.99 2kw5A1 VAL 62 HG23 0.00 0.00 -0.04 -0.04 0.95 0.88 2kw5A1 GLY 63 H 0.01 0.11 -0.30 -0.55 8.43 7.69 2kw5A1 GLY 63 HA2 0.01 0.13 0.46 -0.51 4.01 4.09 2kw5A1 GLY 63 HA3 0.01 0.08 0.29 -0.51 4.01 3.87 2kw5A1 LEU 64 H 0.01 0.19 -0.18 -0.55 8.37 7.84 2kw5A1 LEU 64 HA 0.00 0.09 0.32 -0.75 4.35 4.01 2kw5A1 LEU 64 HB2 0.01 0.01 0.15 -0.04 1.64 1.77 2kw5A1 LEU 64 HB3 0.01 0.02 -0.05 -0.04 1.64 1.58 2kw5A1 LEU 64 HG 0.01 0.02 0.07 -0.04 1.64 1.70 2kw5A1 LEU 64 HD13 0.01 0.02 -0.13 -0.04 0.93 0.79 2kw5A1 LEU 64 HD23 0.00 -0.04 -0.12 -0.04 0.89 0.69 2kw5A1 ALA 65 H 0.01 0.61 -0.02 -0.55 8.40 8.45 2kw5A1 ALA 65 HA 0.01 0.06 0.39 -0.75 4.34 4.05 2kw5A1 ALA 65 HB3 0.01 0.02 0.07 -0.04 1.41 1.47 2kw5A1 LYS 66 H 0.01 0.28 -0.42 -0.55 8.42 7.73 2kw5A1 LYS 66 HA 0.01 0.08 0.52 -0.75 4.32 4.18 2kw5A1 LYS 66 HB2 0.01 0.09 0.14 -0.04 1.87 2.08 2kw5A1 LYS 66 HB3 0.01 0.06 0.15 -0.04 1.79 1.97 2kw5A1 LYS 66 HG2 0.01 -0.05 -0.17 -0.04 1.46 1.21 2kw5A1 LYS 66 HG3 0.01 -0.00 0.05 -0.04 1.46 1.48 2kw5A1 LYS 66 HD2 0.01 0.02 0.03 -0.04 1.69 1.71 2kw5A1 LYS 66 HD3 0.01 0.01 0.04 -0.04 1.68 1.70 2kw5A1 LYS 66 HE2 0.02 0.02 0.01 -0.04 2.99 2.99 2kw5A1 LYS 66 HE3 0.02 0.03 0.03 -0.04 2.99 3.02 2kw5A1 ALA 67 H 0.01 0.45 -0.14 -0.55 8.40 8.17 2kw5A1 ALA 67 HA 0.01 0.02 0.41 -0.75 4.34 4.03 2kw5A1 ALA 67 HB3 0.00 0.02 0.10 -0.04 1.41 1.49 2kw5A1 LYS 68 H 0.01 0.46 -0.21 -0.55 8.42 8.13 2kw5A1 LYS 68 HA 0.01 0.05 0.43 -0.75 4.32 4.06 2kw5A1 LYS 68 HB2 0.01 0.03 0.05 -0.04 1.87 1.92 2kw5A1 LYS 68 HB3 0.01 0.04 0.10 -0.04 1.79 1.89 2kw5A1 LYS 68 HG2 0.01 0.01 -0.07 -0.04 1.46 1.37 2kw5A1 LYS 68 HG3 0.01 -0.01 0.07 -0.04 1.46 1.49 2kw5A1 LYS 68 HD2 0.01 0.02 -0.00 -0.04 1.69 1.68 2kw5A1 LYS 68 HD3 0.01 -0.04 -0.03 -0.04 1.68 1.58 2kw5A1 LYS 68 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.91 2kw5A1 LYS 68 HE3 0.01 -0.02 -0.04 -0.04 2.99 2.89 2kw5A1 GLN 69 H 0.01 0.39 -0.26 -0.55 8.47 8.07 2kw5A1 GLN 69 HA 0.01 0.05 0.54 -0.75 4.36 4.20 2kw5A1 GLN 69 HB2 0.01 0.13 0.19 -0.04 2.15 2.44 2kw5A1 GLN 69 HB3 0.01 0.08 0.21 -0.04 2.02 2.28 2kw5A1 GLN 69 HG2 0.01 -0.03 0.00 -0.04 2.40 2.34 2kw5A1 GLN 69 HG3 0.01 -0.00 -0.17 -0.04 2.39 2.19 2kw5A1 GLN 69 HE21 0.01 -0.04 0.10 -0.04 6.97 7.00 2kw5A1 GLN 69 HE22 0.01 0.01 0.04 -0.04 7.69 7.70 2kw5A1 LEU 70 H 0.01 0.50 -0.12 -0.55 8.37 8.22 2kw5A1 LEU 70 HA 0.02 0.04 0.37 -0.75 4.35 4.03 2kw5A1 LEU 70 HB2 0.02 -0.01 0.10 -0.04 1.64 1.71 2kw5A1 LEU 70 HB3 0.02 0.07 0.09 -0.04 1.64 1.78 2kw5A1 LEU 70 HG 0.03 0.05 -0.12 -0.04 1.64 1.55 2kw5A1 LEU 70 HD13 0.02 -0.00 0.01 -0.04 0.93 0.92 2kw5A1 LEU 70 HD23 0.04 -0.02 0.01 -0.04 0.89 0.88 2kw5A1 ALA 71 H 0.01 0.17 -0.60 -0.55 8.40 7.44 2kw5A1 ALA 71 HA 0.01 0.02 0.30 -0.75 4.34 3.92 2kw5A1 ALA 71 HB3 0.01 0.10 0.07 -0.04 1.41 1.54 2kw5A1 GLN 72 H 0.01 0.41 -0.04 -0.55 8.47 8.31 2kw5A1 GLN 72 HA 0.01 0.07 0.34 -0.75 4.36 4.03 2kw5A1 GLN 72 HB2 0.01 0.07 0.17 -0.04 2.15 2.35 2kw5A1 GLN 72 HB3 0.01 -0.04 0.09 -0.04 2.02 2.04 2kw5A1 GLN 72 HG2 0.01 -0.03 0.08 -0.04 2.40 2.42 2kw5A1 GLN 72 HG3 0.01 0.20 0.21 -0.04 2.39 2.77 2kw5A1 GLN 72 HE21 0.01 0.24 -0.06 -0.04 6.97 7.12 2kw5A1 GLN 72 HE22 0.01 -0.09 -0.03 -0.04 7.69 7.53 2kw5A1 GLU 73 H 0.01 0.37 -0.29 -0.55 8.60 8.14 2kw5A1 GLU 73 HA 0.01 0.03 0.42 -0.75 4.29 3.99 2kw5A1 GLU 73 HB2 0.01 0.01 0.08 -0.04 2.09 2.15 2kw5A1 GLU 73 HB3 0.01 0.04 0.07 -0.04 1.99 2.07 2kw5A1 GLU 73 HG2 0.01 0.03 -0.06 -0.04 2.34 2.28 2kw5A1 GLU 73 HG3 0.01 -0.03 0.07 -0.04 2.34 2.35 2kw5A1 LYS 74 H 0.01 0.32 -0.40 -0.55 8.42 7.80 2kw5A1 LYS 74 HA 0.01 0.08 0.73 -0.75 4.32 4.38 2kw5A1 LYS 74 HB2 0.01 -0.05 0.07 -0.04 1.87 1.85 2kw5A1 LYS 74 HB3 0.00 0.05 0.12 -0.04 1.79 1.92 2kw5A1 LYS 74 HG2 -0.02 0.02 0.07 -0.04 1.46 1.49 2kw5A1 LYS 74 HG3 -0.01 -0.01 0.14 -0.04 1.46 1.54 2kw5A1 LYS 74 HD2 -0.01 0.02 -0.12 -0.04 1.69 1.54 2kw5A1 LYS 74 HD3 -0.05 -0.01 0.03 -0.04 1.68 1.61 2kw5A1 LYS 74 HE2 0.02 0.03 -0.04 -0.04 2.99 2.95 2kw5A1 LYS 74 HE3 0.04 -0.11 -0.06 -0.04 2.99 2.81 2kw5A1 GLY 75 H 0.01 0.18 -0.26 -0.55 8.43 7.81 2kw5A1 GLY 75 HA2 0.01 0.01 0.30 -0.51 4.01 3.82 2kw5A1 GLY 75 HA3 0.02 0.03 0.45 -0.51 4.01 4.01 2kw5A1 VAL 76 H 0.01 0.56 0.04 -0.55 8.24 8.30 2kw5A1 VAL 76 HA 0.01 0.17 0.76 -0.75 4.13 4.32 2kw5A1 VAL 76 HB -0.01 0.00 -0.12 -0.04 2.12 1.96 2kw5A1 VAL 76 HG13 0.00 0.04 -0.35 -0.04 0.97 0.62 2kw5A1 VAL 76 HG23 -0.01 -0.00 -0.14 -0.04 0.95 0.76 2kw5A1 LYS 77 H 0.01 0.25 0.12 -0.55 8.42 8.24 2kw5A1 LYS 77 HA 0.01 0.09 0.77 -0.75 4.32 4.43 2kw5A1 LYS 77 HB2 0.01 0.01 -0.05 -0.04 1.87 1.80 2kw5A1 LYS 77 HB3 0.02 0.02 0.07 -0.04 1.79 1.86 2kw5A1 LYS 77 HG2 0.02 0.09 -0.23 -0.04 1.46 1.30 2kw5A1 LYS 77 HG3 0.02 -0.03 0.04 -0.04 1.46 1.45 2kw5A1 LYS 77 HD2 0.03 -0.01 -0.08 -0.04 1.69 1.58 2kw5A1 LYS 77 HD3 0.03 -0.03 -0.06 -0.04 1.68 1.58 2kw5A1 LYS 77 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.91 2kw5A1 LYS 77 HE3 0.01 0.02 -0.05 -0.04 2.99 2.94 2kw5A1 ILE 78 H 0.01 0.13 0.20 -0.55 8.25 8.05 2kw5A1 ILE 78 HA 0.01 0.47 0.82 -0.75 4.18 4.73 2kw5A1 ILE 78 HB 0.01 -0.07 -0.08 -0.04 1.89 1.71 2kw5A1 ILE 78 HG12 0.01 -0.03 -0.15 -0.04 1.49 1.28 2kw5A1 ILE 78 HG13 0.01 -0.02 -0.33 -0.04 1.21 0.83 2kw5A1 ILE 78 HG23 -0.01 -0.01 -0.10 -0.04 0.93 0.77 2kw5A1 ILE 78 HD13 0.01 0.02 -0.23 -0.04 0.88 0.64 2kw5A1 THR 79 H 0.01 0.39 0.37 -0.55 8.28 8.50 2kw5A1 THR 79 HA 0.04 0.15 0.77 -0.75 4.39 4.60 2kw5A1 THR 79 HB 0.07 -0.08 0.11 -0.04 4.32 4.38 2kw5A1 THR 79 HG23 0.15 0.01 -0.14 -0.04 1.22 1.20 2kw5A1 THR 80 H 0.03 0.19 0.02 -0.55 8.28 7.97 2kw5A1 THR 80 HA 0.01 0.11 0.44 -0.75 4.39 4.19 2kw5A1 THR 80 HB 0.02 0.02 0.14 -0.04 4.32 4.45 2kw5A1 THR 80 HG23 0.01 -0.02 -0.14 -0.04 1.22 1.03 2kw5A1 VAL 81 H 0.01 0.74 0.39 -0.55 8.24 8.83 2kw5A1 VAL 81 HA 0.06 0.11 0.78 -0.75 4.13 4.33 2kw5A1 VAL 81 HB 0.03 -0.01 -0.01 -0.04 2.12 2.09 2kw5A1 VAL 81 HG13 0.21 -0.02 -0.23 -0.04 0.97 0.88 2kw5A1 VAL 81 HG23 0.08 0.05 -0.23 -0.04 0.95 0.81 2kw5A1 GLN 82 H 0.03 0.24 0.02 -0.55 8.47 8.22 2kw5A1 GLN 82 HA 0.03 0.27 0.97 -0.75 4.36 4.88 2kw5A1 GLN 82 HB2 0.02 -0.04 -0.01 -0.04 2.15 2.08 2kw5A1 GLN 82 HB3 0.01 0.00 0.19 -0.04 2.02 2.18 2kw5A1 GLN 82 HG2 0.02 0.01 -0.09 -0.04 2.40 2.30 2kw5A1 GLN 82 HG3 0.02 0.08 -0.05 -0.04 2.39 2.39 2kw5A1 GLN 82 HE21 0.01 0.02 0.00 -0.04 6.97 6.96 2kw5A1 GLN 82 HE22 0.01 -0.02 0.00 -0.04 7.69 7.64 2kw5A1 SER 83 H 0.06 0.20 -0.05 -0.55 8.46 8.12 2kw5A1 SER 83 HA 0.08 0.17 0.71 -0.75 4.49 4.70 2kw5A1 SER 83 HB2 0.24 -0.01 -0.12 -0.04 3.95 4.02 2kw5A1 SER 83 HB3 0.33 0.10 0.16 -0.04 3.93 4.49 2kw5A1 ASN 84 H 0.15 0.56 0.24 -0.55 8.53 8.93 2kw5A1 ASN 84 HA 0.04 0.10 0.82 -0.75 4.76 4.98 2kw5A1 ASN 84 HB2 0.05 0.10 -0.19 -0.04 2.88 2.80 2kw5A1 ASN 84 HB3 0.06 -0.00 0.05 -0.04 2.79 2.86 2kw5A1 ASN 84 HD21 0.03 0.07 -0.05 -0.04 7.03 7.04 2kw5A1 ASN 84 HD22 0.02 0.02 -0.03 -0.04 7.74 7.71 2kw5A1 LEU 85 H 0.02 0.19 0.16 -0.55 8.37 8.19 2kw5A1 LEU 85 HA -0.01 0.10 0.04 -0.75 4.35 3.73 2kw5A1 LEU 85 HB2 -0.00 0.01 0.05 -0.04 1.64 1.66 2kw5A1 LEU 85 HB3 -0.02 0.08 0.09 -0.04 1.64 1.74 2kw5A1 LEU 85 HG 0.01 -0.06 0.11 -0.04 1.64 1.66 2kw5A1 LEU 85 HD13 0.01 0.02 0.01 -0.04 0.93 0.93 2kw5A1 LEU 85 HD23 -0.02 -0.02 -0.07 -0.04 0.89 0.74 2kw5A1 ALA 86 H 0.02 -0.03 -0.61 -0.55 8.40 7.24 2kw5A1 ALA 86 HA 0.01 0.23 0.69 -0.75 4.34 4.51 2kw5A1 ALA 86 HB3 0.01 -0.00 0.01 -0.04 1.41 1.39 2kw5A1 ASP 87 H 0.05 0.23 -0.13 -0.55 8.40 8.00 2kw5A1 ASP 87 HA 0.06 0.20 0.79 -0.75 4.63 4.93 2kw5A1 ASP 87 HB2 0.05 -0.01 -0.29 -0.04 2.71 2.43 2kw5A1 ASP 87 HB3 0.09 -0.05 0.02 -0.04 2.70 2.72 2kw5A1 PHE 88 H 0.13 0.52 0.20 -0.55 8.34 8.63 2kw5A1 PHE 88 HA 0.05 0.10 0.52 -0.75 4.62 4.54 2kw5A1 PHE 88 HB2 0.05 0.11 -0.11 -0.04 3.15 3.16 2kw5A1 PHE 88 HB3 0.05 -0.12 0.09 -0.04 3.06 3.05 2kw5A1 PHE 88 HD2 0.09 -0.01 -0.14 -0.04 7.28 7.17 2kw5A1 PHE 88 HE2 0.25 0.02 -0.11 -0.04 7.38 7.50 2kw5A1 PHE 88 HZ 0.40 0.04 -0.10 -0.04 7.32 7.62 2kw5A1 ASP 89 H -0.39 0.15 -0.15 -0.55 8.40 7.47 2kw5A1 ASP 89 HA -0.07 0.10 0.69 -0.75 4.63 4.59 2kw5A1 ASP 89 HB2 -0.10 0.09 -0.06 -0.04 2.71 2.60 2kw5A1 ASP 89 HB3 -0.05 -0.12 -0.16 -0.04 2.70 2.33 2kw5A1 ILE 90 H -0.18 0.20 -0.01 -0.55 8.25 7.71 2kw5A1 ILE 90 HA -0.19 0.14 0.72 -0.75 4.18 4.10 2kw5A1 ILE 90 HB -0.11 0.06 -0.17 -0.04 1.89 1.63 2kw5A1 ILE 90 HG12 -0.13 -0.15 -0.12 -0.04 1.49 1.06 2kw5A1 ILE 90 HG13 -0.10 0.12 -0.04 -0.04 1.21 1.16 2kw5A1 ILE 90 HG23 -0.19 0.00 -0.26 -0.04 0.93 0.45 2kw5A1 ILE 90 HD13 -0.17 0.00 -0.24 -0.04 0.88 0.43 2kw5A1 VAL 91 H 0.18 0.22 -0.06 -0.55 8.24 8.03 2kw5A1 VAL 91 HA 0.00 0.30 0.87 -0.75 4.13 4.55 2kw5A1 VAL 91 HB 0.06 -0.00 0.17 -0.04 2.12 2.31 2kw5A1 VAL 91 HG13 -0.01 -0.06 0.05 -0.04 0.97 0.91 2kw5A1 VAL 91 HG23 -0.22 0.00 -0.17 -0.04 0.95 0.52 2kw5A1 ALA 92 H 0.03 0.56 0.03 -0.55 8.40 8.47 2kw5A1 ALA 92 HA 0.13 0.05 0.19 -0.75 4.34 3.95 2kw5A1 ALA 92 HB3 0.00 0.03 0.06 -0.04 1.41 1.47 2kw5A1 ASP 93 H 0.01 -0.09 -0.59 -0.55 8.40 7.18 2kw5A1 ASP 93 HA -0.02 0.19 0.71 -0.75 4.63 4.75 2kw5A1 ASP 93 HB2 -0.02 0.02 0.05 -0.04 2.71 2.72 2kw5A1 ASP 93 HB3 -0.03 -0.11 0.05 -0.04 2.70 2.57 2kw5A1 ALA 94 H -0.10 0.03 -0.00 -0.55 8.40 7.78 2kw5A1 ALA 94 HA -0.24 0.07 0.49 -0.75 4.34 3.90 2kw5A1 ALA 94 HB3 -0.54 -0.02 0.08 -0.04 1.41 0.89 2kw5A1 TRP 95 H -0.01 0.33 -0.03 -0.55 7.97 7.72 2kw5A1 TRP 95 HA 0.00 0.11 0.63 -0.75 4.62 4.61 2kw5A1 TRP 95 HB2 -0.04 -0.01 -0.13 -0.04 3.23 3.01 2kw5A1 TRP 95 HB3 -0.02 0.03 0.09 -0.04 3.23 3.30 2kw5A1 TRP 95 HD1 -0.09 -0.10 -0.03 -0.04 7.22 6.96 2kw5A1 TRP 95 HE1 -0.06 -0.08 -0.10 -0.04 10.20 9.93 2kw5A1 TRP 95 HE3 0.02 0.04 -0.08 -0.04 7.59 7.53 2kw5A1 TRP 95 HZ2 0.38 -0.05 -0.12 -0.04 7.44 7.61 2kw5A1 TRP 95 HZ3 0.04 -0.00 -0.10 -0.04 7.13 7.02 2kw5A1 TRP 95 HH2 0.08 -0.02 -0.13 -0.04 7.19 7.08 2kw5A1 GLU 96 H 0.25 0.18 0.24 -0.55 8.60 8.72 2kw5A1 GLU 96 HA 0.05 0.25 0.81 -0.75 4.29 4.65 2kw5A1 GLU 96 HB2 0.05 0.01 0.04 -0.04 2.09 2.16 2kw5A1 GLU 96 HB3 0.06 -0.10 0.26 -0.04 1.99 2.17 2kw5A1 GLU 96 HG2 -0.01 0.01 -0.12 -0.04 2.34 2.18 2kw5A1 GLU 96 HG3 0.00 0.08 0.07 -0.04 2.34 2.44 2kw5A1 GLY 97 H 0.07 0.51 0.39 -0.55 8.43 8.85 2kw5A1 GLY 97 HA2 -0.02 0.39 0.80 -0.51 4.01 4.67 2kw5A1 GLY 97 HA3 -0.03 0.02 0.30 -0.51 4.01 3.78 2kw5A1 ILE 98 H -0.05 0.40 0.39 -0.55 8.25 8.45 2kw5A1 ILE 98 HA -0.12 0.00 0.89 -0.75 4.18 4.20 2kw5A1 ILE 98 HB -0.08 -0.07 0.02 -0.04 1.89 1.72 2kw5A1 ILE 98 HG12 -0.14 0.01 -0.05 -0.04 1.49 1.26 2kw5A1 ILE 98 HG13 -0.03 0.04 -0.61 -0.04 1.21 0.57 2kw5A1 ILE 98 HG23 -0.14 0.04 -0.19 -0.04 0.93 0.60 2kw5A1 ILE 98 HD13 -0.06 -0.02 -0.21 -0.04 0.88 0.55 2kw5A1 VAL 99 H -0.10 0.68 0.11 -0.55 8.24 8.38 2kw5A1 VAL 99 HA -0.01 0.24 0.45 -0.75 4.13 4.05 2kw5A1 VAL 99 HB -0.01 0.10 -0.02 -0.04 2.12 2.15 2kw5A1 VAL 99 HG13 -0.04 -0.03 -0.17 -0.04 0.97 0.69 2kw5A1 VAL 99 HG23 -0.00 -0.03 -0.12 -0.04 0.95 0.76 2kw5A1 SER 100 H 0.04 0.54 0.14 -0.55 8.46 8.63 2kw5A1 SER 100 HA -0.04 0.05 0.97 -0.75 4.49 4.72 2kw5A1 SER 100 HB2 -0.16 -0.05 0.19 -0.04 3.95 3.88 2kw5A1 SER 100 HB3 -0.15 0.01 0.02 -0.04 3.93 3.76 2kw5A1 ILE 101 H -0.03 0.15 0.00 -0.55 8.25 7.83 2kw5A1 ILE 101 HA -0.10 0.06 0.65 -0.75 4.18 4.04 2kw5A1 ILE 101 HB -0.20 0.04 0.06 -0.04 1.89 1.75 2kw5A1 ILE 101 HG12 -0.07 -0.00 -0.02 -0.04 1.49 1.35 2kw5A1 ILE 101 HG13 -0.11 -0.02 0.01 -0.04 1.21 1.04 2kw5A1 ILE 101 HG23 -0.82 0.01 -0.01 -0.04 0.93 0.07 2kw5A1 ILE 101 HD13 -0.07 0.01 -0.06 -0.04 0.88 0.72 2kw5A1 PHE 102 H -0.24 0.13 0.25 -0.55 8.34 7.92 2kw5A1 PHE 102 HA 0.05 0.02 0.42 -0.75 4.62 4.35 2kw5A1 PHE 102 HB2 -0.15 0.11 0.03 -0.04 3.15 3.11 2kw5A1 PHE 102 HB3 -0.07 -0.42 0.28 -0.04 3.06 2.81 2kw5A1 PHE 102 HD2 0.13 -0.01 0.03 -0.04 7.28 7.39 2kw5A1 PHE 102 HE2 0.15 -0.03 0.01 -0.04 7.38 7.47 2kw5A1 PHE 102 HZ 0.09 -0.01 0.01 -0.04 7.32 7.37 2kw5A1 CYS 103 H 0.24 0.08 0.01 -0.55 8.50 8.28 2kw5A1 CYS 103 HA 0.18 0.13 0.39 -0.75 4.58 4.52 2kw5A1 CYS 103 HB2 0.15 -0.02 -0.04 -0.04 2.97 3.01 2kw5A1 CYS 103 HB3 0.36 0.04 0.01 -0.04 2.97 3.35 2kw5A1 HIS 104 H 0.28 0.27 0.27 -0.55 8.41 8.69 2kw5A1 HIS 104 HA 0.11 0.19 0.86 -0.75 4.63 5.04 2kw5A1 HIS 104 HB2 0.10 -0.06 0.27 -0.04 3.26 3.53 2kw5A1 HIS 104 HB3 0.08 -0.03 0.10 -0.04 3.20 3.30 2kw5A1 HIS 104 HD2 0.27 0.16 0.17 -0.04 6.97 7.52 2kw5A1 HIS 104 HE1 0.13 -0.02 0.01 -0.04 7.75 7.82 2kw5A1 LEU 105 H 0.08 0.36 -0.07 -0.55 8.37 8.20 2kw5A1 LEU 105 HA 0.05 0.14 0.60 -0.75 4.35 4.39 2kw5A1 LEU 105 HB2 -0.02 0.00 -0.13 -0.04 1.64 1.45 2kw5A1 LEU 105 HB3 -0.01 -0.07 -0.12 -0.04 1.64 1.40 2kw5A1 LEU 105 HG 0.05 -0.04 -0.47 -0.04 1.64 1.14 2kw5A1 LEU 105 HD13 -0.03 -0.00 -0.18 -0.04 0.93 0.67 2kw5A1 LEU 105 HD23 0.03 0.04 0.08 -0.04 0.89 1.01 2kw5A1 PRO 106 HA 0.02 0.14 0.58 -0.51 4.44 4.67 2kw5A1 PRO 106 HB2 0.01 -0.08 -0.00 -0.04 2.28 2.17 2kw5A1 PRO 106 HB3 0.01 0.08 0.11 -0.04 2.02 2.18 2kw5A1 PRO 106 HG2 0.02 0.08 0.06 -0.04 2.03 2.15 2kw5A1 PRO 106 HG3 0.02 0.09 0.03 -0.04 2.03 2.14 2kw5A1 PRO 106 HD2 0.02 0.03 0.20 -0.04 3.68 3.89 2kw5A1 PRO 106 HD3 0.04 0.22 0.09 -0.04 3.65 3.95 2kw5A1 SER 107 H 0.01 0.19 0.10 -0.55 8.46 8.22 2kw5A1 SER 107 HA 0.02 0.09 0.19 -0.75 4.49 4.03 2kw5A1 SER 107 HB2 0.02 0.04 0.11 -0.04 3.95 4.08 2kw5A1 SER 107 HB3 0.01 -0.00 0.05 -0.04 3.93 3.95 2kw5A1 SER 108 H 0.01 0.03 -0.36 -0.55 8.46 7.59 2kw5A1 SER 108 HA 0.00 0.13 0.43 -0.75 4.49 4.31 2kw5A1 SER 108 HB2 0.00 -0.07 0.08 -0.04 3.95 3.92 2kw5A1 SER 108 HB3 0.00 0.08 0.03 -0.04 3.93 4.00 2kw5A1 LEU 109 H -0.01 0.24 -0.03 -0.55 8.37 8.02 2kw5A1 LEU 109 HA -0.02 0.12 0.22 -0.75 4.35 3.92 2kw5A1 LEU 109 HB2 -0.00 0.04 0.07 -0.04 1.64 1.70 2kw5A1 LEU 109 HB3 -0.01 -0.01 0.00 -0.04 1.64 1.58 2kw5A1 LEU 109 HG 0.01 -0.03 0.02 -0.04 1.64 1.60 2kw5A1 LEU 109 HD13 0.01 -0.00 0.03 -0.04 0.93 0.94 2kw5A1 LEU 109 HD23 0.01 -0.00 -0.08 -0.04 0.89 0.77 2kw5A1 ARG 110 H -0.04 0.40 -0.41 -0.55 8.46 7.85 2kw5A1 ARG 110 HA -0.24 0.05 0.31 -0.75 4.34 3.71 2kw5A1 ARG 110 HB2 -0.05 0.11 -0.41 -0.04 1.90 1.52 2kw5A1 ARG 110 HB3 -0.04 -0.07 -0.15 -0.04 1.80 1.50 2kw5A1 ARG 110 HG2 -0.15 -0.00 -0.22 -0.04 1.67 1.26 2kw5A1 ARG 110 HG3 -0.16 0.00 -0.06 -0.04 1.67 1.40 2kw5A1 ARG 110 HD2 0.05 0.13 -0.10 -0.04 3.22 3.26 2kw5A1 ARG 110 HD3 0.09 -0.06 -0.10 -0.04 3.22 3.11 2kw5A1 GLN 111 H -0.04 0.45 -0.06 -0.55 8.47 8.27 2kw5A1 GLN 111 HA 0.05 0.04 0.50 -0.75 4.36 4.21 2kw5A1 GLN 111 HB2 0.01 0.16 0.10 -0.04 2.15 2.39 2kw5A1 GLN 111 HB3 0.04 -0.01 0.11 -0.04 2.02 2.12 2kw5A1 GLN 111 HG2 0.04 -0.01 0.11 -0.04 2.40 2.50 2kw5A1 GLN 111 HG3 0.04 -0.03 0.04 -0.04 2.39 2.40 2kw5A1 GLN 111 HE21 0.06 0.01 0.02 -0.04 6.97 7.02 2kw5A1 GLN 111 HE22 0.09 0.01 0.00 -0.04 7.69 7.75 2kw5A1 GLN 112 H -0.05 0.07 -0.72 -0.55 8.47 7.22 2kw5A1 GLN 112 HA 0.00 0.12 0.74 -0.75 4.36 4.47 2kw5A1 GLN 112 HB2 -0.02 0.07 0.09 -0.04 2.15 2.25 2kw5A1 GLN 112 HB3 -0.00 0.00 0.08 -0.04 2.02 2.06 2kw5A1 GLN 112 HG2 -0.00 0.34 0.05 -0.04 2.40 2.75 2kw5A1 GLN 112 HG3 0.00 -0.13 -0.02 -0.04 2.39 2.20 2kw5A1 GLN 112 HE21 0.01 0.01 0.06 -0.04 6.97 7.01 2kw5A1 GLN 112 HE22 0.01 -0.01 0.03 -0.04 7.69 7.69 2kw5A1 LEU 113 H -0.12 0.24 -0.16 -0.55 8.37 7.77 2kw5A1 LEU 113 HA -0.04 0.08 0.24 -0.75 4.35 3.87 2kw5A1 LEU 113 HB2 -0.09 0.04 0.11 -0.04 1.64 1.67 2kw5A1 LEU 113 HB3 -0.25 0.05 0.17 -0.04 1.64 1.57 2kw5A1 LEU 113 HG -0.03 -0.01 -0.20 -0.04 1.64 1.36 2kw5A1 LEU 113 HD13 -0.08 -0.02 -0.01 -0.04 0.93 0.78 2kw5A1 LEU 113 HD23 0.02 -0.02 -0.07 -0.04 0.89 0.78 2kw5A1 TYR 114 H -0.16 0.43 0.02 -0.55 8.29 8.03 2kw5A1 TYR 114 HA 0.15 -0.00 0.28 -0.75 4.56 4.24 2kw5A1 TYR 114 HB2 0.06 0.06 0.08 -0.04 3.06 3.22 2kw5A1 TYR 114 HB3 0.10 0.05 0.01 -0.04 2.98 3.10 2kw5A1 TYR 114 HD2 0.17 -0.00 -0.06 -0.04 7.15 7.22 2kw5A1 TYR 114 HE2 0.12 -0.05 -0.09 -0.04 6.85 6.80 2kw5A1 PRO 115 HA 0.13 0.07 0.55 -0.51 4.44 4.68 2kw5A1 PRO 115 HB2 0.06 0.11 -0.03 -0.04 2.28 2.38 2kw5A1 PRO 115 HB3 0.06 -0.00 0.10 -0.04 2.02 2.14 2kw5A1 PRO 115 HG2 0.05 0.16 0.06 -0.04 2.03 2.26 2kw5A1 PRO 115 HG3 0.05 -0.01 0.05 -0.04 2.03 2.09 2kw5A1 PRO 115 HD2 0.07 0.17 -0.58 -0.04 3.68 3.30 2kw5A1 PRO 115 HD3 0.16 0.03 -0.01 -0.04 3.65 3.79 2kw5A1 LYS 116 H 0.06 0.36 -0.40 -0.55 8.42 7.89 2kw5A1 LYS 116 HA 0.03 0.02 0.56 -0.75 4.32 4.16 2kw5A1 LYS 116 HB2 -0.01 0.23 0.17 -0.04 1.87 2.22 2kw5A1 LYS 116 HB3 -0.04 -0.14 0.04 -0.04 1.79 1.62 2kw5A1 LYS 116 HG2 0.01 0.30 0.07 -0.04 1.46 1.79 2kw5A1 LYS 116 HG3 -0.02 -0.00 -0.05 -0.04 1.46 1.35 2kw5A1 LYS 116 HD2 -0.02 -0.09 -0.03 -0.04 1.69 1.51 2kw5A1 LYS 116 HD3 0.01 -0.01 -0.05 -0.04 1.68 1.59 2kw5A1 LYS 116 HE2 0.01 -0.01 -0.10 -0.04 2.99 2.85 2kw5A1 LYS 116 HE3 0.02 0.05 -0.08 -0.04 2.99 2.94 2kw5A1 VAL 117 H 0.09 0.40 -0.14 -0.55 8.24 8.04 2kw5A1 VAL 117 HA -0.06 0.03 0.65 -0.75 4.13 4.01 2kw5A1 VAL 117 HB 0.18 0.10 -0.04 -0.04 2.12 2.33 2kw5A1 VAL 117 HG13 -0.24 -0.02 -0.06 -0.04 0.97 0.62 2kw5A1 VAL 117 HG23 -0.06 0.05 -0.08 -0.04 0.95 0.82 2kw5A1 TYR 118 H 0.21 0.27 -0.15 -0.55 8.29 8.07 2kw5A1 TYR 118 HA 0.02 0.05 0.61 -0.75 4.56 4.48 2kw5A1 TYR 118 HB2 0.07 0.18 0.20 -0.04 3.06 3.48 2kw5A1 TYR 118 HB3 0.04 -0.08 0.27 -0.04 2.98 3.17 2kw5A1 TYR 118 HD2 0.03 -0.03 0.08 -0.04 7.15 7.19 2kw5A1 TYR 118 HE2 0.00 -0.06 -0.00 -0.04 6.85 6.75 2kw5A1 GLN 119 H 0.20 0.45 0.09 -0.55 8.47 8.67 2kw5A1 GLN 119 HA -0.07 0.08 0.45 -0.75 4.36 4.07 2kw5A1 GLN 119 HB2 0.06 0.05 0.16 -0.04 2.15 2.38 2kw5A1 GLN 119 HB3 0.03 -0.05 0.01 -0.04 2.02 1.97 2kw5A1 GLN 119 HG2 0.14 -0.02 0.02 -0.04 2.40 2.50 2kw5A1 GLN 119 HG3 0.27 0.03 0.13 -0.04 2.39 2.78 2kw5A1 GLN 119 HE21 0.07 -0.04 0.01 -0.04 6.97 6.97 2kw5A1 GLN 119 HE22 0.13 -0.01 0.04 -0.04 7.69 7.82 2kw5A1 GLY 120 H 0.02 0.11 -0.14 -0.55 8.43 7.86 2kw5A1 GLY 120 HA2 -0.02 -0.05 0.25 -0.51 4.01 3.68 2kw5A1 GLY 120 HA3 -0.03 0.10 0.39 -0.51 4.01 3.96 2kw5A1 LEU 121 H -0.04 0.21 -0.23 -0.55 8.37 7.77 2kw5A1 LEU 121 HA -0.05 -0.07 0.62 -0.75 4.35 4.10 2kw5A1 LEU 121 HB2 -0.11 -0.15 0.01 -0.04 1.64 1.35 2kw5A1 LEU 121 HB3 -0.07 0.38 0.17 -0.04 1.64 2.07 2kw5A1 LEU 121 HG -0.09 0.04 -0.39 -0.04 1.64 1.16 2kw5A1 LEU 121 HD13 -0.07 -0.03 -0.13 -0.04 0.93 0.65 2kw5A1 LEU 121 HD23 -0.11 0.00 -0.19 -0.04 0.89 0.55 2kw5A1 LYS 122 H -0.04 0.09 0.03 -0.55 8.42 7.95 2kw5A1 LYS 122 HA -0.07 0.21 0.69 -0.75 4.32 4.39 2kw5A1 LYS 122 HB2 -0.03 -0.04 0.00 -0.04 1.87 1.76 2kw5A1 LYS 122 HB3 -0.04 0.05 0.00 -0.04 1.79 1.76 2kw5A1 LYS 122 HG2 -0.04 -0.05 -0.03 -0.04 1.46 1.31 2kw5A1 LYS 122 HG3 -0.05 0.04 0.01 -0.04 1.46 1.41 2kw5A1 LYS 122 HD2 -0.04 0.06 -0.41 -0.04 1.69 1.26 2kw5A1 LYS 122 HD3 -0.02 -0.15 -0.07 -0.04 1.68 1.40 2kw5A1 LYS 122 HE2 -0.04 0.09 -0.01 -0.04 2.99 2.99 2kw5A1 LYS 122 HE3 -0.03 -0.08 -0.02 -0.04 2.99 2.83 2kw5A1 PRO 123 HA -0.08 -0.06 0.30 -0.51 4.44 4.09 2kw5A1 PRO 123 HB2 -0.06 0.06 0.10 -0.04 2.28 2.33 2kw5A1 PRO 123 HB3 -0.09 -0.08 0.11 -0.04 2.02 1.92 2kw5A1 PRO 123 HG2 -0.07 0.04 0.10 -0.04 2.03 2.06 2kw5A1 PRO 123 HG3 -0.10 0.05 0.11 -0.04 2.03 2.06 2kw5A1 PRO 123 HD2 -0.06 0.09 0.16 -0.04 3.68 3.83 2kw5A1 PRO 123 HD3 -0.08 0.21 0.18 -0.04 3.65 3.92 2kw5A1 GLY 124 H -0.07 0.03 0.24 -0.55 8.43 8.09 2kw5A1 GLY 124 HA2 -0.05 -0.02 0.36 -0.51 4.01 3.79 2kw5A1 GLY 124 HA3 -0.04 0.29 0.88 -0.51 4.01 4.63 2kw5A1 GLY 125 H -0.06 0.07 0.14 -0.55 8.43 8.04 2kw5A1 GLY 125 HA2 -0.05 0.16 0.91 -0.51 4.01 4.52 2kw5A1 GLY 125 HA3 -0.06 -0.01 0.31 -0.51 4.01 3.74 2kw5A1 VAL 126 H -0.02 0.65 0.19 -0.55 8.24 8.52 2kw5A1 VAL 126 HA 0.02 0.33 0.79 -0.75 4.13 4.52 2kw5A1 VAL 126 HB 0.07 0.01 0.04 -0.04 2.12 2.20 2kw5A1 VAL 126 HG13 -0.00 0.02 -0.09 -0.04 0.97 0.86 2kw5A1 VAL 126 HG23 0.02 -0.01 0.03 -0.04 0.95 0.95 2kw5A1 PHE 127 H 0.17 0.29 0.12 -0.55 8.34 8.38 2kw5A1 PHE 127 HA 0.09 0.11 0.90 -0.75 4.62 4.96 2kw5A1 PHE 127 HB2 0.03 0.07 -0.05 -0.04 3.15 3.16 2kw5A1 PHE 127 HB3 0.28 -0.05 0.09 -0.04 3.06 3.34 2kw5A1 PHE 127 HD2 0.21 0.14 -0.02 -0.04 7.28 7.56 2kw5A1 PHE 127 HE2 0.25 -0.01 -0.13 -0.04 7.38 7.44 2kw5A1 PHE 127 HZ 0.22 -0.04 -0.08 -0.04 7.32 7.38 2kw5A1 ILE 128 H 0.41 0.56 0.12 -0.55 8.25 8.78 2kw5A1 ILE 128 HA 0.27 0.29 0.90 -0.75 4.18 4.87 2kw5A1 ILE 128 HB 0.14 -0.04 0.14 -0.04 1.89 2.09 2kw5A1 ILE 128 HG12 0.16 0.04 -0.10 -0.04 1.49 1.55 2kw5A1 ILE 128 HG13 0.14 -0.02 -0.28 -0.04 1.21 1.02 2kw5A1 ILE 128 HG23 0.38 -0.02 -0.08 -0.04 0.93 1.17 2kw5A1 ILE 128 HD13 0.01 -0.01 -0.10 -0.04 0.88 0.74 2kw5A1 LEU 129 H 0.09 0.68 0.32 -0.55 8.37 8.91 2kw5A1 LEU 129 HA 0.08 0.03 0.93 -0.75 4.35 4.64 2kw5A1 LEU 129 HB2 -0.28 0.02 0.09 -0.04 1.64 1.42 2kw5A1 LEU 129 HB3 -0.24 0.02 -0.08 -0.04 1.64 1.30 2kw5A1 LEU 129 HG -0.68 0.00 -0.49 -0.04 1.64 0.44 2kw5A1 LEU 129 HD13 -0.81 0.01 -0.15 -0.04 0.93 -0.06 2kw5A1 LEU 129 HD23 -0.19 -0.01 -0.02 -0.04 0.89 0.63 2kw5A1 GLU 130 H 0.07 0.18 0.11 -0.55 8.60 8.41 2kw5A1 GLU 130 HA -0.28 0.34 1.08 -0.75 4.29 4.67 2kw5A1 GLU 130 HB2 -0.20 -0.05 0.06 -0.04 2.09 1.86 2kw5A1 GLU 130 HB3 -0.67 -0.04 0.22 -0.04 1.99 1.45 2kw5A1 GLU 130 HG2 -0.70 0.07 -0.06 -0.04 2.34 1.61 2kw5A1 GLU 130 HG3 -0.38 0.04 0.05 -0.04 2.34 2.00 2kw5A1 GLY 131 H -0.32 0.30 0.08 -0.55 8.43 7.95 2kw5A1 GLY 131 HA2 -0.30 0.11 0.80 -0.51 4.01 4.11 2kw5A1 GLY 131 HA3 -0.23 0.21 0.40 -0.51 4.01 3.88 2kw5A1 PHE 132 H 0.02 0.20 0.14 -0.55 8.34 8.14 2kw5A1 PHE 132 HA -0.09 0.20 0.95 -0.75 4.62 4.93 2kw5A1 PHE 132 HB2 -0.08 -0.03 0.03 -0.04 3.15 3.03 2kw5A1 PHE 132 HB3 -0.07 -0.03 0.13 -0.04 3.06 3.04 2kw5A1 PHE 132 HD2 -0.08 -0.03 -0.01 -0.04 7.28 7.12 2kw5A1 PHE 132 HE2 -0.13 0.02 -0.03 -0.04 7.38 7.19 2kw5A1 PHE 132 HZ -0.18 -0.02 -0.04 -0.04 7.32 7.03 2kw5A1 ALA 133 H 0.07 0.34 0.30 -0.55 8.40 8.57 2kw5A1 ALA 133 HA -0.03 0.17 0.65 -0.75 4.34 4.38 2kw5A1 ALA 133 HB3 -0.03 0.01 0.15 -0.04 1.41 1.49 2kw5A1 PRO 134 HA -0.06 0.09 0.52 -0.51 4.44 4.48 2kw5A1 PRO 134 HB2 -0.06 0.06 0.05 -0.04 2.28 2.30 2kw5A1 PRO 134 HB3 -0.04 0.07 0.14 -0.04 2.02 2.15 2kw5A1 PRO 134 HG2 -0.05 0.04 0.05 -0.04 2.03 2.02 2kw5A1 PRO 134 HG3 -0.04 0.09 0.09 -0.04 2.03 2.12 2kw5A1 PRO 134 HD2 -0.04 0.09 0.25 -0.04 3.68 3.94 2kw5A1 PRO 134 HD3 -0.04 0.19 0.20 -0.04 3.65 3.96 2kw5A1 GLU 135 H -0.12 0.08 -0.37 -0.55 8.60 7.65 2kw5A1 GLU 135 HA -0.24 0.19 0.67 -0.75 4.29 4.16 2kw5A1 GLU 135 HB2 -0.12 0.02 0.05 -0.04 2.09 2.01 2kw5A1 GLU 135 HB3 -0.19 -0.01 0.04 -0.04 1.99 1.79 2kw5A1 GLU 135 HG2 -0.44 0.02 0.05 -0.04 2.34 1.92 2kw5A1 GLU 135 HG3 -0.16 0.03 0.08 -0.04 2.34 2.25 2kw5A1 GLN 136 H -0.21 0.41 -0.29 -0.55 8.47 7.83 2kw5A1 GLN 136 HA -0.50 0.11 0.23 -0.75 4.36 3.44 2kw5A1 GLN 136 HB2 0.02 -0.08 0.21 -0.04 2.15 2.27 2kw5A1 GLN 136 HB3 -0.06 0.05 0.18 -0.04 2.02 2.15 2kw5A1 GLN 136 HG2 0.18 0.02 -0.02 -0.04 2.40 2.53 2kw5A1 GLN 136 HG3 -0.08 0.03 -0.24 -0.04 2.39 2.07 2kw5A1 GLN 136 HE21 0.08 0.00 -0.10 -0.04 6.97 6.91 2kw5A1 GLN 136 HE22 0.19 0.04 -0.06 -0.04 7.69 7.82 2kw5A1 LEU 137 H -0.16 0.16 0.04 -0.55 8.37 7.86 2kw5A1 LEU 137 HA -0.11 0.30 0.57 -0.75 4.35 4.36 2kw5A1 LEU 137 HB2 -0.10 -0.01 0.01 -0.04 1.64 1.49 2kw5A1 LEU 137 HB3 -0.10 0.07 0.08 -0.04 1.64 1.65 2kw5A1 LEU 137 HG -0.13 -0.00 0.03 -0.04 1.64 1.50 2kw5A1 LEU 137 HD13 -0.09 -0.03 -0.26 -0.04 0.93 0.51 2kw5A1 LEU 137 HD23 -0.25 0.02 -0.02 -0.04 0.89 0.60 2kw5A1 GLN 138 H -0.22 0.04 -0.62 -0.55 8.47 7.13 2kw5A1 GLN 138 HA -0.09 0.08 0.39 -0.75 4.36 3.99 2kw5A1 GLN 138 HB2 -0.13 -0.00 0.06 -0.04 2.15 2.04 2kw5A1 GLN 138 HB3 -0.24 0.15 0.01 -0.04 2.02 1.90 2kw5A1 GLN 138 HG2 -0.07 0.04 -0.03 -0.04 2.40 2.30 2kw5A1 GLN 138 HG3 -0.06 -0.02 0.07 -0.04 2.39 2.34 2kw5A1 GLN 138 HE21 -0.06 -0.02 0.03 -0.04 6.97 6.88 2kw5A1 GLN 138 HE22 -0.05 -0.02 0.01 -0.04 7.69 7.59 2kw5A1 TYR 139 H -0.27 0.28 -0.32 -0.55 8.29 7.44 2kw5A1 TYR 139 HA -0.09 0.06 0.48 -0.75 4.56 4.26 2kw5A1 TYR 139 HB2 -0.07 0.08 0.14 -0.04 3.06 3.17 2kw5A1 TYR 139 HB3 -0.09 -0.05 0.10 -0.04 2.98 2.90 2kw5A1 TYR 139 HD2 -0.06 -0.03 0.08 -0.04 7.15 7.10 2kw5A1 TYR 139 HE2 -0.03 -0.16 0.07 -0.04 6.85 6.69 2kw5A1 ASN 140 H -0.01 0.28 -0.59 -0.55 8.53 7.67 2kw5A1 ASN 140 HA -0.02 0.08 0.23 -0.75 4.76 4.29 2kw5A1 ASN 140 HB2 -0.02 0.05 -0.17 -0.04 2.88 2.70 2kw5A1 ASN 140 HB3 -0.02 0.15 0.05 -0.04 2.79 2.93 2kw5A1 ASN 140 HD21 -0.02 0.02 0.02 -0.04 7.03 7.01 2kw5A1 ASN 140 HD22 -0.01 -0.04 0.02 -0.04 7.74 7.67 2kw5A1 THR 141 H 0.03 0.05 -0.35 -0.55 8.28 7.47 2kw5A1 THR 141 HA -0.01 0.14 0.53 -0.75 4.39 4.29 2kw5A1 THR 141 HB 0.00 -0.03 -0.03 -0.04 4.32 4.22 2kw5A1 THR 141 HG23 -0.01 0.02 -0.08 -0.04 1.22 1.11 2kw5A1 GLY 142 H -0.03 0.15 -0.00 -0.55 8.43 8.00 2kw5A1 GLY 142 HA2 -0.04 0.11 0.19 -0.51 4.01 3.76 2kw5A1 GLY 142 HA3 -0.06 0.07 0.38 -0.51 4.01 3.90 2kw5A1 GLY 143 H -0.07 0.28 0.06 -0.55 8.43 8.15 2kw5A1 GLY 143 HA2 -0.16 0.05 0.26 -0.51 4.01 3.66 2kw5A1 GLY 143 HA3 -0.09 0.06 0.32 -0.51 4.01 3.78 2kw5A1 PRO 144 HA -0.04 0.13 0.54 -0.51 4.44 4.56 2kw5A1 PRO 144 HB2 0.02 0.02 -0.00 -0.04 2.28 2.28 2kw5A1 PRO 144 HB3 0.02 0.06 0.09 -0.04 2.02 2.15 2kw5A1 PRO 144 HG2 -0.02 -0.12 0.11 -0.04 2.03 1.96 2kw5A1 PRO 144 HG3 0.02 0.17 0.03 -0.04 2.03 2.21 2kw5A1 PRO 144 HD2 -0.12 0.06 0.10 -0.04 3.68 3.69 2kw5A1 PRO 144 HD3 -0.15 0.17 0.05 -0.04 3.65 3.68 2kw5A1 LYS 145 H -0.03 -0.04 -0.04 -0.55 8.42 7.75 2kw5A1 LYS 145 HA -0.02 0.17 0.33 -0.75 4.32 4.05 2kw5A1 LYS 145 HB2 -0.01 0.18 0.01 -0.04 1.87 2.01 2kw5A1 LYS 145 HB3 -0.01 -0.11 0.01 -0.04 1.79 1.64 2kw5A1 LYS 145 HG2 -0.01 -0.04 -0.21 -0.04 1.46 1.16 2kw5A1 LYS 145 HG3 -0.01 0.06 0.05 -0.04 1.46 1.52 2kw5A1 LYS 145 HD2 -0.00 -0.07 -0.03 -0.04 1.69 1.54 2kw5A1 LYS 145 HD3 -0.00 0.01 -0.02 -0.04 1.68 1.63 2kw5A1 LYS 145 HE2 0.00 -0.02 0.00 -0.04 2.99 2.93 2kw5A1 LYS 145 HE3 -0.00 0.06 0.02 -0.04 2.99 3.02 2kw5A1 ASP 146 H -0.03 0.13 0.20 -0.55 8.40 8.16 2kw5A1 ASP 146 HA -0.04 0.20 0.69 -0.75 4.63 4.73 2kw5A1 ASP 146 HB2 -0.02 0.22 -0.27 -0.04 2.71 2.61 2kw5A1 ASP 146 HB3 -0.01 -0.06 -0.02 -0.04 2.70 2.57 2kw5A1 LEU 147 H -0.04 0.28 0.15 -0.55 8.37 8.22 2kw5A1 LEU 147 HA -0.05 0.08 0.41 -0.75 4.35 4.04 2kw5A1 LEU 147 HB2 -0.04 0.05 0.06 -0.04 1.64 1.68 2kw5A1 LEU 147 HB3 -0.04 0.04 0.16 -0.04 1.64 1.76 2kw5A1 LEU 147 HG -0.07 -0.08 0.09 -0.04 1.64 1.55 2kw5A1 LEU 147 HD13 -0.05 0.03 0.06 -0.04 0.93 0.93 2kw5A1 LEU 147 HD23 -0.09 -0.01 0.10 -0.04 0.89 0.84 2kw5A1 ASP 148 H -0.01 -0.03 -0.61 -0.55 8.40 7.21 2kw5A1 ASP 148 HA 0.00 0.14 0.54 -0.75 4.63 4.55 2kw5A1 ASP 148 HB2 -0.00 0.03 0.07 -0.04 2.71 2.77 2kw5A1 ASP 148 HB3 0.00 -0.06 0.03 -0.04 2.70 2.63 2kw5A1 LEU 149 H 0.00 0.35 -0.09 -0.55 8.37 8.09 2kw5A1 LEU 149 HA 0.04 0.13 0.32 -0.75 4.35 4.09 2kw5A1 LEU 149 HB2 0.02 0.02 0.11 -0.04 1.64 1.74 2kw5A1 LEU 149 HB3 0.07 0.02 0.12 -0.04 1.64 1.80 2kw5A1 LEU 149 HG 0.01 -0.07 0.04 -0.04 1.64 1.58 2kw5A1 LEU 149 HD13 0.02 -0.04 -0.06 -0.04 0.93 0.81 2kw5A1 LEU 149 HD23 0.04 0.01 -0.16 -0.04 0.89 0.73 2kw5A1 LEU 150 H 0.02 0.20 -0.97 -0.55 8.37 7.07 2kw5A1 LEU 150 HA 0.12 0.14 0.80 -0.75 4.35 4.66 2kw5A1 LEU 150 HB2 0.02 0.14 0.13 -0.04 1.64 1.89 2kw5A1 LEU 150 HB3 0.09 -0.01 0.01 -0.04 1.64 1.70 2kw5A1 LEU 150 HG -0.02 -0.13 0.04 -0.04 1.64 1.49 2kw5A1 LEU 150 HD13 -0.01 -0.05 -0.12 -0.04 0.93 0.71 2kw5A1 LEU 150 HD23 -0.07 -0.00 -0.12 -0.04 0.89 0.66 2kw5A1 PRO 151 HA 0.02 0.09 0.63 -0.51 4.44 4.68 2kw5A1 PRO 151 HB2 -0.04 -0.04 0.02 -0.04 2.28 2.18 2kw5A1 PRO 151 HB3 0.06 0.10 0.07 -0.04 2.02 2.22 2kw5A1 PRO 151 HG2 -0.09 -0.08 0.06 -0.04 2.03 1.88 2kw5A1 PRO 151 HG3 -0.04 0.16 0.04 -0.04 2.03 2.15 2kw5A1 PRO 151 HD2 0.09 -0.05 0.30 -0.04 3.68 3.97 2kw5A1 PRO 151 HD3 0.04 0.44 0.26 -0.04 3.65 4.35 2kw5A1 LYS 152 H -0.05 0.19 0.21 -0.55 8.42 8.22 2kw5A1 LYS 152 HA -0.12 0.20 0.72 -0.75 4.32 4.37 2kw5A1 LYS 152 HB2 -0.05 0.18 -0.01 -0.04 1.87 1.95 2kw5A1 LYS 152 HB3 -0.07 -0.06 0.07 -0.04 1.79 1.69 2kw5A1 LYS 152 HG2 -0.09 -0.17 0.03 -0.04 1.46 1.19 2kw5A1 LYS 152 HG3 -0.08 0.07 0.03 -0.04 1.46 1.43 2kw5A1 LYS 152 HD2 -0.04 0.08 0.04 -0.04 1.69 1.73 2kw5A1 LYS 152 HD3 -0.05 -0.00 0.02 -0.04 1.68 1.61 2kw5A1 LYS 152 HE2 -0.06 0.01 -0.01 -0.04 2.99 2.90 2kw5A1 LYS 152 HE3 -0.04 0.00 0.04 -0.04 2.99 2.95 2kw5A1 LEU 153 H -0.15 0.21 0.07 -0.55 8.37 7.96 2kw5A1 LEU 153 HA -0.31 0.06 0.21 -0.75 4.35 3.57 2kw5A1 LEU 153 HB2 -0.14 -0.01 -0.01 -0.04 1.64 1.45 2kw5A1 LEU 153 HB3 -0.21 0.10 -0.04 -0.04 1.64 1.45 2kw5A1 LEU 153 HG -0.16 -0.04 -0.03 -0.04 1.64 1.37 2kw5A1 LEU 153 HD13 -0.13 0.02 -0.20 -0.04 0.93 0.58 2kw5A1 LEU 153 HD23 -0.29 0.01 -0.15 -0.04 0.89 0.42 2kw5A1 GLU 154 H -0.11 0.03 -0.31 -0.55 8.60 7.67 2kw5A1 GLU 154 HA -0.08 0.11 0.30 -0.75 4.29 3.87 2kw5A1 GLU 154 HB2 -0.06 0.03 0.00 -0.04 2.09 2.02 2kw5A1 GLU 154 HB3 -0.05 0.08 0.04 -0.04 1.99 2.01 2kw5A1 GLU 154 HG2 -0.07 -0.11 -0.01 -0.04 2.34 2.11 2kw5A1 GLU 154 HG3 -0.05 0.07 0.01 -0.04 2.34 2.33 2kw5A1 THR 155 H -0.11 0.13 -0.21 -0.55 8.28 7.54 2kw5A1 THR 155 HA -0.10 0.10 0.32 -0.75 4.39 3.95 2kw5A1 THR 155 HB -0.11 0.02 0.19 -0.04 4.32 4.37 2kw5A1 THR 155 HG23 -0.13 0.01 -0.07 -0.04 1.22 1.00 2kw5A1 LEU 156 H -0.21 0.41 -0.08 -0.55 8.37 7.95 2kw5A1 LEU 156 HA -0.35 0.04 0.05 -0.75 4.35 3.33 2kw5A1 LEU 156 HB2 -0.42 -0.06 -0.05 -0.04 1.64 1.07 2kw5A1 LEU 156 HB3 -0.43 0.04 -0.12 -0.04 1.64 1.10 2kw5A1 LEU 156 HG -0.18 0.03 -0.13 -0.04 1.64 1.31 2kw5A1 LEU 156 HD13 -0.27 -0.02 -0.35 -0.04 0.93 0.25 2kw5A1 LEU 156 HD23 -0.10 0.00 -0.08 -0.04 0.89 0.67 2kw5A1 GLN 157 H -0.29 0.28 -0.03 -0.55 8.47 7.89 2kw5A1 GLN 157 HA 0.36 0.14 0.42 -0.75 4.36 4.53 2kw5A1 GLN 157 HB2 -0.51 -0.10 0.09 -0.04 2.15 1.60 2kw5A1 GLN 157 HB3 -0.14 0.13 0.06 -0.04 2.02 2.03 2kw5A1 GLN 157 HG2 0.10 0.02 -0.17 -0.04 2.40 2.31 2kw5A1 GLN 157 HG3 0.34 0.06 0.05 -0.04 2.39 2.81 2kw5A1 GLN 157 HE21 0.26 0.03 0.02 -0.04 6.97 7.24 2kw5A1 GLN 157 HE22 0.08 -0.00 0.01 -0.04 7.69 7.74 2kw5A1 SER 158 H -0.06 0.25 -0.39 -0.55 8.46 7.72 2kw5A1 SER 158 HA 0.02 0.00 0.34 -0.75 4.49 4.10 2kw5A1 SER 158 HB2 -0.04 0.04 0.17 -0.04 3.95 4.08 2kw5A1 SER 158 HB3 -0.06 0.15 0.20 -0.04 3.93 4.17 2kw5A1 GLU 159 H -0.03 0.34 -0.35 -0.55 8.60 8.01 2kw5A1 GLU 159 HA -0.07 0.04 0.32 -0.75 4.29 3.83 2kw5A1 GLU 159 HB2 -0.21 0.07 0.01 -0.04 2.09 1.92 2kw5A1 GLU 159 HB3 -0.04 -0.09 0.05 -0.04 1.99 1.88 2kw5A1 GLU 159 HG2 -0.27 0.33 0.00 -0.04 2.34 2.36 2kw5A1 GLU 159 HG3 -0.31 -0.12 -0.05 -0.04 2.34 1.82 2kw5A1 LEU 160 H 0.18 0.30 -0.73 -0.55 8.37 7.57 2kw5A1 LEU 160 HA 0.30 0.09 0.81 -0.75 4.35 4.79 2kw5A1 LEU 160 HB2 0.55 0.09 0.10 -0.04 1.64 2.34 2kw5A1 LEU 160 HB3 0.04 -0.08 0.11 -0.04 1.64 1.67 2kw5A1 LEU 160 HG 0.29 -0.05 -0.48 -0.04 1.64 1.37 2kw5A1 LEU 160 HD13 0.58 -0.03 -0.09 -0.04 0.93 1.35 2kw5A1 LEU 160 HD23 0.26 0.04 -0.13 -0.04 0.89 1.02 2kw5A1 PRO 161 HA 0.16 0.14 0.57 -0.51 4.44 4.80 2kw5A1 PRO 161 HB2 0.04 -0.02 0.05 -0.04 2.28 2.31 2kw5A1 PRO 161 HB3 0.08 0.05 0.08 -0.04 2.02 2.19 2kw5A1 PRO 161 HG2 0.22 0.00 -0.05 -0.04 2.03 2.17 2kw5A1 PRO 161 HG3 0.08 0.04 0.01 -0.04 2.03 2.12 2kw5A1 PRO 161 HD2 0.34 0.10 0.02 -0.04 3.68 4.10 2kw5A1 PRO 161 HD3 0.09 0.31 -0.23 -0.04 3.65 3.78 2kw5A1 SER 162 H 0.16 0.02 -0.29 -0.55 8.46 7.81 2kw5A1 SER 162 HA 0.14 0.11 0.62 -0.75 4.49 4.61 2kw5A1 SER 162 HB2 -0.13 0.06 0.05 -0.04 3.95 3.89 2kw5A1 SER 162 HB3 -0.16 -0.02 0.06 -0.04 3.93 3.77 2kw5A1 LEU 163 H -0.05 -0.02 -0.22 -0.55 8.37 7.53 2kw5A1 LEU 163 HA -0.23 0.16 0.67 -0.75 4.35 4.20 2kw5A1 LEU 163 HB2 -0.19 0.10 0.00 -0.04 1.64 1.52 2kw5A1 LEU 163 HB3 -0.36 -0.02 0.12 -0.04 1.64 1.34 2kw5A1 LEU 163 HG -1.08 -0.07 -0.01 -0.04 1.64 0.43 2kw5A1 LEU 163 HD13 -0.26 0.02 -0.14 -0.04 0.93 0.51 2kw5A1 LEU 163 HD23 -0.16 -0.03 -0.08 -0.04 0.89 0.58 2kw5A1 ASN 164 H -0.16 0.32 -0.08 -0.55 8.53 8.07 2kw5A1 ASN 164 HA -0.06 0.08 0.56 -0.75 4.76 4.59 2kw5A1 ASN 164 HB2 0.03 -0.00 0.04 -0.04 2.88 2.91 2kw5A1 ASN 164 HB3 0.14 -0.02 -0.02 -0.04 2.79 2.84 2kw5A1 ASN 164 HD21 0.14 -0.03 -0.16 -0.04 7.03 6.94 2kw5A1 ASN 164 HD22 0.33 0.20 -0.01 -0.04 7.74 8.21 2kw5A1 TRP 165 H 0.28 0.12 0.15 -0.55 7.97 7.97 2kw5A1 TRP 165 HA 0.06 0.08 0.49 -0.75 4.62 4.49 2kw5A1 TRP 165 HB2 0.03 -0.05 0.01 -0.04 3.23 3.18 2kw5A1 TRP 165 HB3 0.03 0.03 -0.02 -0.04 3.23 3.22 2kw5A1 TRP 165 HD1 0.03 -0.06 0.13 -0.04 7.22 7.29 2kw5A1 TRP 165 HE1 0.02 0.16 0.13 -0.04 10.20 10.46 2kw5A1 TRP 165 HE3 0.02 -0.12 -0.46 -0.04 7.59 6.99 2kw5A1 TRP 165 HZ2 0.02 0.16 -0.16 -0.04 7.44 7.41 2kw5A1 TRP 165 HZ3 -0.07 0.05 -0.11 -0.04 7.13 6.96 2kw5A1 TRP 165 HH2 -0.13 -0.05 -0.12 -0.04 7.19 6.84 2kw5A1 LEU 166 H 0.18 0.49 0.36 -0.55 8.37 8.86 2kw5A1 LEU 166 HA 0.11 0.08 0.55 -0.75 4.35 4.34 2kw5A1 LEU 166 HB2 0.12 -0.03 0.09 -0.04 1.64 1.79 2kw5A1 LEU 166 HB3 0.09 -0.03 0.04 -0.04 1.64 1.69 2kw5A1 LEU 166 HG 0.08 0.03 0.00 -0.04 1.64 1.71 2kw5A1 LEU 166 HD13 0.05 -0.00 -0.06 -0.04 0.93 0.88 2kw5A1 LEU 166 HD23 0.08 0.01 -0.05 -0.04 0.89 0.89 2kw5A1 ILE 167 H 0.24 0.23 -0.02 -0.55 8.25 8.15 2kw5A1 ILE 167 HA 0.08 0.17 0.79 -0.75 4.18 4.47 2kw5A1 ILE 167 HB 0.15 -0.20 0.02 -0.04 1.89 1.81 2kw5A1 ILE 167 HG12 0.10 0.10 -0.15 -0.04 1.49 1.50 2kw5A1 ILE 167 HG13 0.13 -0.04 -0.29 -0.04 1.21 0.98 2kw5A1 ILE 167 HG23 0.03 0.05 -0.17 -0.04 0.93 0.80 2kw5A1 ILE 167 HD13 0.21 -0.00 -0.11 -0.04 0.88 0.94 2kw5A1 ALA 168 H 0.02 0.20 -0.03 -0.55 8.40 8.04 2kw5A1 ALA 168 HA -0.14 0.15 0.57 -0.75 4.34 4.15 2kw5A1 ALA 168 HB3 -0.06 0.02 0.06 -0.04 1.41 1.40 2kw5A1 ASN 169 H -0.09 0.48 0.21 -0.55 8.53 8.58 2kw5A1 ASN 169 HA -0.06 0.13 0.77 -0.75 4.76 4.85 2kw5A1 ASN 169 HB2 -0.02 0.07 -0.21 -0.04 2.88 2.67 2kw5A1 ASN 169 HB3 -0.04 -0.03 -0.07 -0.04 2.79 2.61 2kw5A1 ASN 169 HD21 -0.02 -0.05 -0.08 -0.04 7.03 6.84 2kw5A1 ASN 169 HD22 -0.02 0.03 -0.00 -0.04 7.74 7.70 2kw5A1 ASN 170 H -0.06 0.17 0.16 -0.55 8.53 8.26 2kw5A1 ASN 170 HA -0.09 0.10 0.95 -0.75 4.76 4.96 2kw5A1 ASN 170 HB2 -0.05 0.07 0.06 -0.04 2.88 2.92 2kw5A1 ASN 170 HB3 -0.06 -0.06 0.10 -0.04 2.79 2.73 2kw5A1 ASN 170 HD21 -0.03 0.01 -0.11 -0.04 7.03 6.86 2kw5A1 ASN 170 HD22 -0.03 0.01 0.03 -0.04 7.74 7.72 2kw5A1 LEU 171 H -0.10 0.23 0.10 -0.55 8.37 8.06 2kw5A1 LEU 171 HA -0.05 0.14 0.87 -0.75 4.35 4.56 2kw5A1 LEU 171 HB2 -0.12 -0.05 -0.04 -0.04 1.64 1.38 2kw5A1 LEU 171 HB3 -0.08 0.06 -0.04 -0.04 1.64 1.54 2kw5A1 LEU 171 HG -0.09 0.00 -0.22 -0.04 1.64 1.29 2kw5A1 LEU 171 HD13 -0.10 -0.00 -0.08 -0.04 0.93 0.71 2kw5A1 LEU 171 HD23 -0.04 0.06 -0.16 -0.04 0.89 0.70 2kw5A1 GLU 172 H -0.04 0.16 0.14 -0.55 8.60 8.32 2kw5A1 GLU 172 HA -0.03 0.20 0.83 -0.75 4.29 4.54 2kw5A1 GLU 172 HB2 -0.02 -0.01 0.11 -0.04 2.09 2.14 2kw5A1 GLU 172 HB3 -0.01 0.01 0.00 -0.04 1.99 1.95 2kw5A1 GLU 172 HG2 -0.01 -0.01 -0.02 -0.04 2.34 2.26 2kw5A1 GLU 172 HG3 -0.02 -0.00 -0.03 -0.04 2.34 2.25 2kw5A1 ARG 173 H -0.02 0.52 0.30 -0.55 8.46 8.71 2kw5A1 ARG 173 HA -0.02 0.13 0.79 -0.75 4.34 4.48 2kw5A1 ARG 173 HB2 -0.05 0.02 -0.15 -0.04 1.90 1.68 2kw5A1 ARG 173 HB3 -0.02 -0.04 0.01 -0.04 1.80 1.71 2kw5A1 ARG 173 HG2 -0.01 0.12 -0.26 -0.04 1.67 1.48 2kw5A1 ARG 173 HG3 -0.02 -0.00 0.02 -0.04 1.67 1.63 2kw5A1 ARG 173 HD2 -0.02 -0.03 -0.10 -0.04 3.22 3.04 2kw5A1 ARG 173 HD3 -0.01 0.01 -0.06 -0.04 3.22 3.12 2kw5A1 ASN 174 H -0.01 0.16 0.11 -0.55 8.53 8.25 2kw5A1 ASN 174 HA -0.03 -0.04 0.67 -0.75 4.76 4.61 2kw5A1 ASN 174 HB2 -0.01 -0.02 0.11 -0.04 2.88 2.93 2kw5A1 ASN 174 HB3 -0.01 0.14 0.03 -0.04 2.79 2.91 2kw5A1 ASN 174 HD21 -0.01 -0.02 0.06 -0.04 7.03 7.03 2kw5A1 ASN 174 HD22 -0.01 0.03 -0.03 -0.04 7.74 7.70 2kw5A1 LEU 175 H -0.05 0.30 0.32 -0.55 8.37 8.39 2kw5A1 LEU 175 HA -0.01 0.06 0.56 -0.75 4.35 4.21 2kw5A1 LEU 175 HB2 -0.08 0.08 -0.12 -0.04 1.64 1.47 2kw5A1 LEU 175 HB3 -0.04 -0.02 -0.04 -0.04 1.64 1.50 2kw5A1 LEU 175 HG -0.08 -0.09 -0.44 -0.04 1.64 0.99 2kw5A1 LEU 175 HD13 -0.12 -0.01 -0.14 -0.04 0.93 0.61 2kw5A1 LEU 175 HD23 0.02 -0.01 -0.19 -0.04 0.89 0.67 2kw5A1 ASP 176 H -0.00 0.11 0.08 -0.55 8.40 8.04 2kw5A1 ASP 176 HA 0.00 0.08 0.32 -0.75 4.63 4.28 2kw5A1 ASP 176 HB2 0.01 0.02 0.08 -0.04 2.71 2.77 2kw5A1 ASP 176 HB3 0.01 0.01 0.12 -0.04 2.70 2.79 2kw5A1 GLU 177 H 0.01 0.46 0.43 -0.55 8.60 8.95 2kw5A1 GLU 177 HA 0.02 0.08 0.31 -0.75 4.29 3.95 2kw5A1 GLU 177 HB2 0.09 -0.27 0.23 -0.04 2.09 2.10 2kw5A1 GLU 177 HB3 0.05 0.26 0.10 -0.04 1.99 2.36 2kw5A1 GLU 177 HG2 0.03 0.01 -0.03 -0.04 2.34 2.31 2kw5A1 GLU 177 HG3 0.00 0.36 -0.13 -0.04 2.34 2.53 2kw5A1 GLY 178 H 0.02 0.11 0.16 -0.55 8.43 8.17 2kw5A1 GLY 178 HA2 0.03 0.10 0.39 -0.51 4.01 4.01 2kw5A1 GLY 178 HA3 0.01 0.13 0.42 -0.51 4.01 4.06 2kw5A1 ALA 179 H 0.02 -0.07 0.18 -0.55 8.40 7.99 2kw5A1 ALA 179 HA -0.08 0.29 0.84 -0.75 4.34 4.64 2kw5A1 ALA 179 HB3 -0.24 0.02 0.08 -0.04 1.41 1.24 2kw5A1 TYR 180 H 0.04 -0.01 0.17 -0.55 8.29 7.94 2kw5A1 TYR 180 HA -0.11 0.23 0.47 -0.75 4.56 4.39 2kw5A1 TYR 180 HB2 -0.12 -0.13 0.02 -0.04 3.06 2.79 2kw5A1 TYR 180 HB3 -0.16 0.10 0.03 -0.04 2.98 2.91 2kw5A1 TYR 180 HD2 -0.06 -0.04 0.05 -0.04 7.15 7.06 2kw5A1 TYR 180 HE2 -0.03 0.04 0.01 -0.04 6.85 6.83 2kw5A1 HIS 181 H 0.06 -0.07 -0.32 -0.55 8.41 7.54 2kw5A1 HIS 181 HA 0.01 0.03 0.14 -0.75 4.63 4.06 2kw5A1 HIS 181 HB2 0.00 0.01 0.08 -0.04 3.26 3.31 2kw5A1 HIS 181 HB3 -0.00 0.05 -0.19 -0.04 3.20 3.01 2kw5A1 HIS 181 HD2 0.01 -0.06 -0.09 -0.04 6.97 6.78 2kw5A1 HIS 181 HE1 0.01 -0.03 -0.03 -0.04 7.75 7.65 2kw5A1 GLN 182 H -0.06 -0.13 -0.75 -0.55 8.47 6.98 2kw5A1 GLN 182 HA -0.04 0.17 0.61 -0.75 4.36 4.35 2kw5A1 GLN 182 HB2 -0.16 0.11 -0.20 -0.04 2.15 1.86 2kw5A1 GLN 182 HB3 -0.16 0.03 -0.04 -0.04 2.02 1.81 2kw5A1 GLN 182 HG2 -0.04 0.02 0.02 -0.04 2.40 2.35 2kw5A1 GLN 182 HG3 -0.08 -0.05 0.13 -0.04 2.39 2.35 2kw5A1 GLN 182 HE21 0.03 0.02 -0.00 -0.04 6.97 6.98 2kw5A1 GLN 182 HE22 0.03 -0.01 0.00 -0.04 7.69 7.67 2kw5A1 GLY 183 H -0.04 -0.07 -0.16 -0.55 8.43 7.62 2kw5A1 GLY 183 HA2 -0.28 0.22 0.65 -0.51 4.01 4.09 2kw5A1 GLY 183 HA3 -0.10 -0.02 0.32 -0.51 4.01 3.70 2kw5A1 LYS 184 H -0.24 0.54 -0.28 -0.55 8.42 7.88 2kw5A1 LYS 184 HA -0.08 -0.03 0.85 -0.75 4.32 4.31 2kw5A1 LYS 184 HB2 -0.07 0.05 -0.11 -0.04 1.87 1.69 2kw5A1 LYS 184 HB3 -0.04 -0.02 -0.03 -0.04 1.79 1.66 2kw5A1 LYS 184 HG2 -0.03 0.02 -0.17 -0.04 1.46 1.24 2kw5A1 LYS 184 HG3 -0.05 -0.13 -0.45 -0.04 1.46 0.78 2kw5A1 LYS 184 HD2 0.00 0.06 -0.09 -0.04 1.69 1.62 2kw5A1 LYS 184 HD3 -0.01 0.02 -0.08 -0.04 1.68 1.57 2kw5A1 LYS 184 HE2 -0.00 0.02 -0.06 -0.04 2.99 2.91 2kw5A1 LYS 184 HE3 -0.01 -0.02 -0.10 -0.04 2.99 2.81 2kw5A1 ALA 185 H -0.02 0.36 0.20 -0.55 8.40 8.39 2kw5A1 ALA 185 HA 0.21 0.10 0.87 -0.75 4.34 4.77 2kw5A1 ALA 185 HB3 0.07 0.02 -0.04 -0.04 1.41 1.43 2kw5A1 ALA 186 H 0.20 0.16 0.11 -0.55 8.40 8.32 2kw5A1 ALA 186 HA 0.01 0.16 0.86 -0.75 4.34 4.62 2kw5A1 ALA 186 HB3 0.04 -0.00 0.09 -0.04 1.41 1.50 2kw5A1 LEU 187 H -0.05 0.38 0.18 -0.55 8.37 8.33 2kw5A1 LEU 187 HA -0.14 0.12 0.91 -0.75 4.35 4.49 2kw5A1 LEU 187 HB2 -0.14 0.23 0.06 -0.04 1.64 1.74 2kw5A1 LEU 187 HB3 -0.29 0.08 0.12 -0.04 1.64 1.51 2kw5A1 LEU 187 HG -0.03 -0.06 -0.25 -0.04 1.64 1.25 2kw5A1 LEU 187 HD13 -0.12 0.00 -0.10 -0.04 0.93 0.68 2kw5A1 LEU 187 HD23 -0.02 0.03 -0.18 -0.04 0.89 0.69 2kw5A1 ILE 188 H -0.27 0.63 0.22 -0.55 8.25 8.28 2kw5A1 ILE 188 HA -0.15 0.10 0.92 -0.75 4.18 4.30 2kw5A1 ILE 188 HB -0.18 0.05 -0.07 -0.04 1.89 1.65 2kw5A1 ILE 188 HG12 -0.18 0.03 -0.33 -0.04 1.49 0.96 2kw5A1 ILE 188 HG13 -0.23 -0.07 -0.00 -0.04 1.21 0.87 2kw5A1 ILE 188 HG23 -0.11 -0.02 -0.23 -0.04 0.93 0.52 2kw5A1 ILE 188 HD13 -0.15 0.02 -0.01 -0.04 0.88 0.70 2kw5A1 GLN 189 H -0.15 0.59 0.33 -0.55 8.47 8.69 2kw5A1 GLN 189 HA -0.20 0.35 1.15 -0.75 4.36 4.91 2kw5A1 GLN 189 HB2 -0.15 -0.01 0.04 -0.04 2.15 1.98 2kw5A1 GLN 189 HB3 -0.18 0.02 -0.01 -0.04 2.02 1.80 2kw5A1 GLN 189 HG2 -0.30 0.05 0.03 -0.04 2.40 2.14 2kw5A1 GLN 189 HG3 -0.24 -0.07 -0.28 -0.04 2.39 1.77 2kw5A1 GLN 189 HE21 -0.34 -0.02 -0.07 -0.04 6.97 6.50 2kw5A1 GLN 189 HE22 -0.25 0.02 -0.11 -0.04 7.69 7.31 2kw5A1 LEU 190 H -0.09 0.58 0.35 -0.55 8.37 8.67 2kw5A1 LEU 190 HA -0.06 0.45 0.82 -0.75 4.35 4.81 2kw5A1 LEU 190 HB2 -0.34 -0.09 0.14 -0.04 1.64 1.31 2kw5A1 LEU 190 HB3 -0.62 0.07 -0.02 -0.04 1.64 1.03 2kw5A1 LEU 190 HG -0.42 -0.09 -0.39 -0.04 1.64 0.70 2kw5A1 LEU 190 HD13 -0.85 -0.03 -0.15 -0.04 0.93 -0.14 2kw5A1 LEU 190 HD23 -0.93 0.06 0.11 -0.04 0.89 0.09 2kw5A1 LEU 191 H 0.27 0.37 0.23 -0.55 8.37 8.69 2kw5A1 LEU 191 HA 0.31 0.26 0.87 -0.75 4.35 5.04 2kw5A1 LEU 191 HB2 0.26 -0.02 0.00 -0.04 1.64 1.84 2kw5A1 LEU 191 HB3 0.20 -0.09 0.15 -0.04 1.64 1.86 2kw5A1 LEU 191 HG 0.12 0.01 -0.27 -0.04 1.64 1.46 2kw5A1 LEU 191 HD13 0.10 0.03 -0.05 -0.04 0.93 0.97 2kw5A1 LEU 191 HD23 0.07 0.00 -0.12 -0.04 0.89 0.80 2kw5A1 GLY 192 H 0.40 0.59 0.19 -0.55 8.43 9.06 2kw5A1 GLY 192 HA2 -0.18 0.16 0.73 -0.51 4.01 4.21 2kw5A1 GLY 192 HA3 -0.33 0.04 0.34 -0.51 4.01 3.55 2kw5A1 GLN 193 H -0.13 0.44 0.16 -0.55 8.47 8.39 2kw5A1 GLN 193 HA -0.04 0.14 0.57 -0.75 4.36 4.27 2kw5A1 GLN 193 HB2 0.02 -0.00 -0.13 -0.04 2.15 1.99 2kw5A1 GLN 193 HB3 0.01 -0.03 -0.06 -0.04 2.02 1.90 2kw5A1 GLN 193 HG2 0.01 -0.05 -0.03 -0.04 2.40 2.29 2kw5A1 GLN 193 HG3 -0.02 0.29 -0.14 -0.04 2.39 2.47 2kw5A1 GLN 193 HE21 -0.01 -0.07 0.05 -0.04 6.97 6.90 2kw5A1 GLN 193 HE22 -0.02 0.49 0.13 -0.04 7.69 8.25 2kw5A1 LYS 194 H -0.06 0.16 0.06 -0.55 8.42 8.03 2kw5A1 LYS 194 HA -0.11 -0.00 0.56 -0.75 4.32 4.02 2kw5A1 LYS 194 HB2 -0.06 -0.09 0.08 -0.04 1.87 1.76 2kw5A1 LYS 194 HB3 -0.05 0.05 0.08 -0.04 1.79 1.83 2kw5A1 LYS 194 HG2 -0.07 -0.01 -0.54 -0.04 1.46 0.80 2kw5A1 LYS 194 HG3 -0.08 -0.01 -0.15 -0.04 1.46 1.18 2kw5A1 LYS 194 HD2 -0.05 0.12 -0.33 -0.04 1.69 1.39 2kw5A1 LYS 194 HD3 -0.04 -0.02 -0.10 -0.04 1.68 1.48 2kw5A1 LYS 194 HE2 -0.04 -0.01 -0.12 -0.04 2.99 2.77 2kw5A1 LYS 194 HE3 -0.05 0.02 -0.09 -0.04 2.99 2.83 2kw5A1 LEU 195 H -0.18 0.15 0.20 -0.55 8.37 8.00 2kw5A1 LEU 195 HA -0.30 0.02 0.56 -0.75 4.35 3.88 2kw5A1 LEU 195 HB2 -0.37 -0.06 0.22 -0.04 1.64 1.40 2kw5A1 LEU 195 HB3 -0.93 0.31 0.18 -0.04 1.64 1.16 2kw5A1 LEU 195 HG -0.25 -0.01 0.27 -0.04 1.64 1.61 2kw5A1 LEU 195 HD13 -0.46 -0.02 0.13 -0.04 0.93 0.54 2kw5A1 LEU 195 HD23 -0.19 -0.03 0.05 -0.04 0.89 0.67 2kw5A1 GLU 196 H -0.07 0.30 0.20 -0.55 8.60 8.47 2kw5A1 GLU 196 HA -0.05 0.11 0.60 -0.75 4.29 4.20 2kw5A1 GLU 196 HB2 0.03 -0.05 0.07 -0.04 2.09 2.11 2kw5A1 GLU 196 HB3 0.01 -0.02 0.04 -0.04 1.99 1.98 2kw5A1 GLU 196 HG2 -0.01 0.11 0.05 -0.04 2.34 2.45 2kw5A1 GLU 196 HG3 0.00 -0.01 0.03 -0.04 2.34 2.32 2kw5A1 HIS 197 H -0.07 0.04 -0.05 -0.55 8.41 7.78 2kw5A1 HIS 197 HA -0.15 0.08 0.73 -0.75 4.63 4.54 2kw5A1 HIS 197 HB2 -0.00 0.08 0.04 -0.04 3.26 3.34 2kw5A1 HIS 197 HB3 0.00 -0.04 0.07 -0.04 3.20 3.19 2kw5A1 HIS 197 HD2 -0.03 -0.04 0.07 -0.04 6.97 6.93 2kw5A1 HIS 197 HE1 -0.08 -0.01 -0.05 -0.04 7.75 7.57 2kw5A1 HIS 198 H -0.41 0.10 0.05 -0.55 8.41 7.61 2kw5A1 HIS 198 HA -0.27 0.15 0.65 -0.75 4.63 4.41 2kw5A1 HIS 198 HB2 -0.06 0.01 0.08 -0.04 3.26 3.26 2kw5A1 HIS 198 HB3 -0.08 0.04 0.07 -0.04 3.20 3.19 2kw5A1 HIS 198 HD2 -0.06 0.17 -0.45 -0.04 6.97 6.59 2kw5A1 HIS 198 HE1 0.02 -0.01 0.02 -0.04 7.75 7.73 2kw5A1 HIS 199 H -0.01 0.12 0.11 -0.55 8.41 8.09 2kw5A1 HIS 199 HA -0.05 0.04 0.53 -0.75 4.63 4.41 2kw5A1 HIS 199 HB2 0.07 -0.03 0.15 -0.04 3.26 3.41 2kw5A1 HIS 199 HB3 0.06 0.01 -0.00 -0.04 3.20 3.23 2kw5A1 HIS 199 HD2 0.05 -0.04 0.05 -0.04 6.97 6.98 2kw5A1 HIS 199 HE1 -0.06 0.03 0.20 -0.04 7.75 7.87 2kw5A1 HIS 200 H 0.07 0.12 0.17 -0.55 8.41 8.23 2kw5A1 HIS 200 HA 0.22 0.06 0.37 -0.75 4.63 4.52 2kw5A1 HIS 200 HB2 0.09 -0.04 0.19 -0.04 3.26 3.47 2kw5A1 HIS 200 HB3 0.08 -0.01 0.04 -0.04 3.20 3.27 2kw5A1 HIS 200 HD2 -0.11 -0.04 -0.00 -0.04 6.97 6.77 2kw5A1 HIS 200 HE1 -0.08 -0.04 -0.00 -0.04 7.75 7.58 2kw5A1 HIS 201 H 0.13 0.32 0.27 -0.55 8.41 8.58 2kw5A1 HIS 201 HA -0.00 0.08 0.39 -0.75 4.63 4.34 2kw5A1 HIS 201 HB2 -0.06 -0.12 0.13 -0.04 3.26 3.17 2kw5A1 HIS 201 HB3 0.03 0.13 -0.18 -0.04 3.20 3.14 2kw5A1 HIS 201 HD2 0.09 0.31 -0.19 -0.04 6.97 7.14 2kw5A1 HIS 201 HE1 0.00 -0.01 -0.06 -0.04 7.75 7.64 2kw5A1 HIS 202 H -0.18 0.15 0.05 -0.55 8.41 7.88 2kw5A1 HIS 202 HA -0.14 0.19 0.27 -0.75 4.63 4.20 2kw5A1 HIS 202 HB2 -0.00 0.01 0.08 -0.04 3.26 3.31 2kw5A1 HIS 202 HB3 -0.01 0.11 0.00 -0.04 3.20 3.26 2kw5A1 HIS 202 HD2 0.04 0.03 -0.15 -0.04 6.97 6.84 2kw5A1 HIS 202 HE1 0.03 0.00 0.00 -0.04 7.75 7.74