============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 2 0.840 27.510 40.168 21.637 -99.200 -91.000 TYR 29 0.840 6.473 16.250 16.115 -99.200 -91.000 TYR 30 0.840 10.616 22.466 10.458 -99.200 -91.000 TRP 34 1.040 11.087 36.667 19.723 -99.200 -91.000 TRP6 34 1.020 8.799 36.922 19.114 -99.200 -91.000 TYR 39 0.840 16.439 42.505 22.428 -99.200 -91.000 PHE 53 1.000 8.958 44.181 20.919 -99.200 -91.000 TYR 54 0.840 5.281 42.466 13.962 -99.200 -91.000 TYR 55 0.840 11.122 33.486 15.609 -99.200 -91.000 TYR 59 0.840 4.173 27.179 5.683 -99.200 -91.000 TYR 89 0.840 -0.555 37.127 6.448 -99.200 -91.000 PHE 114 1.000 4.438 35.497 4.908 -99.200 -91.000 PHE 117 1.000 4.612 31.701 15.178 -99.200 -91.000 PHE 125 1.000 6.845 39.783 22.889 -99.200 -91.000 TYR 126 0.840 10.732 47.188 26.413 -99.200 -91.000 TYR 129 0.840 6.343 37.076 27.615 -99.200 -91.000 PHE 148 1.000 8.025 16.786 -1.283 -99.200 -91.000 TYR 155 0.840 11.093 18.754 4.245 -99.200 -91.000 TYR 160 0.840 13.855 35.379 7.562 -99.200 -91.000 PHE 164 1.000 13.261 46.617 20.660 -99.200 -91.000 TYR 168 0.840 18.203 41.249 15.150 -99.200 -91.000 TYR 205 0.840 -4.712 -27.580 -12.571 -99.200 -91.000 PHE 208 1.000 2.403 -17.758 -9.990 -99.200 -91.000 TYR 210 0.840 1.986 -12.987 -8.228 -99.200 -91.000 HIS 221 0.900 15.946 5.253 9.273 -99.200 -91.000 TYR 228 0.840 9.833 -2.351 4.451 -99.200 -91.000 PHE 230 1.000 7.279 -6.900 2.222 -99.200 -91.000 TYR 234 0.840 -4.235 -13.802 -3.537 -99.200 -91.000 TYR 241 0.840 -0.012 -17.182 0.845 -99.200 -91.000 TYR 245 0.840 5.330 -15.120 5.061 -99.200 -91.000 PHE 248 1.000 14.577 -14.912 1.422 -99.200 -91.000 PHE 286 1.000 10.531 -7.171 7.874 -99.200 -91.000 PHE 290 1.000 14.346 -7.422 12.315 -99.200 -91.000 PHE 300 1.000 13.692 -2.902 7.184 -99.200 -91.000 TYR 305 0.840 11.631 -14.250 -3.626 -99.200 -91.000 PHE 316 1.000 -6.228 -15.247 -14.294 -99.200 -91.000 TYR 320 0.840 4.793 -4.964 -2.766 -99.200 -91.000 TYR 329 0.840 5.493 5.259 0.004 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2wzaA1 ASN 1076 HA 0.17 -0.05 0.11 -0.75 4.76 4.23 2wzaA1 ASN 1076 HB2 0.03 -0.01 0.00 -0.04 2.88 2.86 2wzaA1 ASN 1076 HB3 -0.01 0.03 0.06 -0.04 2.79 2.83 2wzaA1 ASN 1076 HD21 0.00 -0.02 0.00 -0.04 7.03 6.98 2wzaA1 ASN 1076 HD22 0.01 0.00 0.01 -0.04 7.74 7.72 2wzaA1 TYR 1077 H -0.16 0.01 0.09 -0.55 8.29 7.68 2wzaA1 TYR 1077 HA -0.04 0.17 0.29 -0.75 4.56 4.23 2wzaA1 TYR 1077 HB2 -0.04 0.00 0.03 -0.04 3.06 3.01 2wzaA1 TYR 1077 HB3 -0.05 -0.02 0.01 -0.04 2.98 2.88 2wzaA1 TYR 1077 HD2 -0.01 0.03 0.01 -0.04 7.15 7.14 2wzaA1 TYR 1077 HE2 0.00 -0.00 -0.02 -0.04 6.85 6.79 2wzaA1 ILE 1078 H -0.05 0.14 -0.07 -0.55 8.25 7.72 2wzaA1 ILE 1078 HA -0.15 0.07 0.75 -0.75 4.18 4.10 2wzaA1 ILE 1078 HB -0.57 0.03 0.14 -0.04 1.89 1.44 2wzaA1 ILE 1078 HG12 -0.33 0.02 -0.12 -0.04 1.49 1.01 2wzaA1 ILE 1078 HG13 -0.10 -0.12 -0.13 -0.04 1.21 0.82 2wzaA1 ILE 1078 HG23 -0.56 0.02 -0.08 -0.04 0.93 0.27 2wzaA1 ILE 1078 HD13 -0.03 0.01 -0.05 -0.04 0.88 0.77 2wzaA1 LYS 1079 H -0.03 0.11 -0.15 -0.55 8.42 7.80 2wzaA1 LYS 1079 HA 0.01 0.26 0.85 -0.75 4.32 4.69 2wzaA1 LYS 1079 HB2 0.01 0.10 -0.36 -0.04 1.87 1.58 2wzaA1 LYS 1079 HB3 0.02 -0.07 0.02 -0.04 1.79 1.72 2wzaA1 LYS 1079 HG2 0.02 0.06 -0.17 -0.04 1.46 1.33 2wzaA1 LYS 1079 HG3 0.01 0.05 -0.00 -0.04 1.46 1.48 2wzaA1 LYS 1079 HD2 0.01 -0.04 -0.02 -0.04 1.69 1.60 2wzaA1 LYS 1079 HD3 0.02 0.07 -0.04 -0.04 1.68 1.68 2wzaA1 LYS 1079 HE2 0.02 -0.03 -0.04 -0.04 2.99 2.91 2wzaA1 LYS 1079 HE3 0.02 -0.05 -0.05 -0.04 2.99 2.87 2wzaA1 PRO 1080 HA 0.12 0.04 0.59 -0.51 4.44 4.67 2wzaA1 PRO 1080 HB2 0.04 0.01 -0.07 -0.04 2.28 2.22 2wzaA1 PRO 1080 HB3 0.04 -0.08 0.14 -0.04 2.02 2.09 2wzaA1 PRO 1080 HG2 -0.00 0.12 -0.44 -0.04 2.03 1.66 2wzaA1 PRO 1080 HG3 0.00 0.12 -0.15 -0.04 2.03 1.96 2wzaA1 PRO 1080 HD2 0.05 0.25 0.00 -0.04 3.68 3.94 2wzaA1 PRO 1080 HD3 0.04 0.03 -0.09 -0.04 3.65 3.59 2wzaA1 THR 1081 H 0.09 0.15 0.29 -0.55 8.28 8.26 2wzaA1 THR 1081 HA 0.02 0.19 0.91 -0.75 4.39 4.75 2wzaA1 THR 1081 HB 0.02 0.01 0.03 -0.04 4.32 4.34 2wzaA1 THR 1081 HG23 0.03 0.05 -0.16 -0.04 1.22 1.10 2wzaA1 LYS 1082 H 0.01 0.22 0.19 -0.55 8.42 8.29 2wzaA1 LYS 1082 HA 0.03 0.36 1.01 -0.75 4.32 4.96 2wzaA1 LYS 1082 HB2 -0.01 -0.04 -0.08 -0.04 1.87 1.71 2wzaA1 LYS 1082 HB3 -0.03 0.09 0.07 -0.04 1.79 1.89 2wzaA1 LYS 1082 HG2 0.00 -0.06 -0.40 -0.04 1.46 0.96 2wzaA1 LYS 1082 HG3 0.01 0.07 -0.11 -0.04 1.46 1.38 2wzaA1 LYS 1082 HD2 -0.11 -0.03 -0.26 -0.04 1.69 1.25 2wzaA1 LYS 1082 HD3 -0.14 0.07 -0.29 -0.04 1.68 1.29 2wzaA1 LYS 1082 HE2 -0.57 -0.02 -0.20 -0.04 2.99 2.15 2wzaA1 LYS 1082 HE3 -0.51 0.02 -0.21 -0.04 2.99 2.26 2wzaA1 VAL 1083 H 0.07 0.61 0.28 -0.55 8.24 8.65 2wzaA1 VAL 1083 HA 0.07 0.15 0.74 -0.75 4.13 4.34 2wzaA1 VAL 1083 HB 0.05 -0.00 0.07 -0.04 2.12 2.20 2wzaA1 VAL 1083 HG13 0.03 0.00 -0.13 -0.04 0.97 0.83 2wzaA1 VAL 1083 HG23 0.05 0.02 -0.11 -0.04 0.95 0.87 2wzaA1 ASN 1084 H 0.11 0.13 0.10 -0.55 8.53 8.32 2wzaA1 ASN 1084 HA 0.15 0.15 0.75 -0.75 4.76 5.06 2wzaA1 ASN 1084 HB2 0.25 0.01 -0.12 -0.04 2.88 2.98 2wzaA1 ASN 1084 HB3 0.07 -0.06 -0.19 -0.04 2.79 2.57 2wzaA1 ASN 1084 HD21 -0.12 0.00 -0.14 -0.04 7.03 6.74 2wzaA1 ASN 1084 HD22 0.04 0.04 -0.20 -0.04 7.74 7.58 2wzaA1 LYS 1085 H 0.04 0.25 -0.16 -0.55 8.42 7.99 2wzaA1 LYS 1085 HA 0.03 0.31 0.92 -0.75 4.32 4.83 2wzaA1 LYS 1085 HB2 0.07 0.13 -0.03 -0.04 1.87 1.99 2wzaA1 LYS 1085 HB3 0.01 -0.05 -0.08 -0.04 1.79 1.63 2wzaA1 LYS 1085 HG2 0.02 0.01 -0.40 -0.04 1.46 1.05 2wzaA1 LYS 1085 HG3 0.05 -0.12 -0.54 -0.04 1.46 0.80 2wzaA1 LYS 1085 HD2 0.03 0.02 -0.14 -0.04 1.69 1.57 2wzaA1 LYS 1085 HD3 0.00 0.00 -0.10 -0.04 1.68 1.54 2wzaA1 LYS 1085 HE2 0.01 0.07 -0.08 -0.04 2.99 2.95 2wzaA1 LYS 1085 HE3 0.02 -0.07 -0.13 -0.04 2.99 2.77 2wzaA1 ASN 1086 H 0.02 0.43 0.21 -0.55 8.53 8.65 2wzaA1 ASN 1086 HA 0.19 0.26 0.95 -0.75 4.76 5.41 2wzaA1 ASN 1086 HB2 0.05 -0.11 0.21 -0.04 2.88 3.00 2wzaA1 ASN 1086 HB3 0.04 0.22 0.12 -0.04 2.79 3.13 2wzaA1 ASN 1086 HD21 -0.01 -0.07 0.06 -0.04 7.03 6.97 2wzaA1 ASN 1086 HD22 0.01 0.66 0.27 -0.04 7.74 8.63 2wzaA1 LYS 1087 H 0.06 0.19 0.16 -0.55 8.42 8.28 2wzaA1 LYS 1087 HA -1.04 0.11 0.40 -0.75 4.32 3.03 2wzaA1 LYS 1087 HB2 -0.05 0.02 0.14 -0.04 1.87 1.94 2wzaA1 LYS 1087 HB3 -0.06 -0.05 0.13 -0.04 1.79 1.77 2wzaA1 LYS 1087 HG2 -0.06 -0.00 -0.04 -0.04 1.46 1.31 2wzaA1 LYS 1087 HG3 -0.15 0.04 -0.36 -0.04 1.46 0.96 2wzaA1 LYS 1087 HD2 -0.35 0.03 0.09 -0.04 1.69 1.42 2wzaA1 LYS 1087 HD3 -0.17 -0.01 0.03 -0.04 1.68 1.49 2wzaA1 LYS 1087 HE2 -0.05 -0.01 -0.03 -0.04 2.99 2.86 2wzaA1 LYS 1087 HE3 -0.09 0.02 -0.01 -0.04 2.99 2.88 2wzaA1 GLU 1088 H -0.08 0.02 -0.26 -0.55 8.60 7.73 2wzaA1 GLU 1088 HA -0.09 0.20 0.67 -0.75 4.29 4.31 2wzaA1 GLU 1088 HB2 -0.04 -0.05 0.00 -0.04 2.09 1.96 2wzaA1 GLU 1088 HB3 -0.04 0.06 0.12 -0.04 1.99 2.08 2wzaA1 GLU 1088 HG2 -0.04 -0.09 0.01 -0.04 2.34 2.18 2wzaA1 GLU 1088 HG3 -0.03 0.02 0.02 -0.04 2.34 2.31 2wzaA1 GLY 1089 H -0.11 0.60 -0.34 -0.55 8.43 8.04 2wzaA1 GLY 1089 HA2 -0.05 0.07 0.22 -0.51 4.01 3.74 2wzaA1 GLY 1089 HA3 -0.05 0.11 0.41 -0.51 4.01 3.97 2wzaA1 LEU 1090 H -0.03 -0.07 -0.15 -0.55 8.37 7.58 2wzaA1 LEU 1090 HA -0.01 0.15 0.73 -0.75 4.35 4.47 2wzaA1 LEU 1090 HB2 -0.02 0.01 0.01 -0.04 1.64 1.60 2wzaA1 LEU 1090 HB3 -0.01 -0.06 0.07 -0.04 1.64 1.59 2wzaA1 LEU 1090 HG -0.01 0.18 -0.21 -0.04 1.64 1.56 2wzaA1 LEU 1090 HD13 -0.02 -0.01 0.05 -0.04 0.93 0.92 2wzaA1 LEU 1090 HD23 -0.03 0.01 -0.05 -0.04 0.89 0.78 2wzaA1 ASN 1091 H -0.00 0.14 0.17 -0.55 8.53 8.29 2wzaA1 ASN 1091 HA 0.02 0.20 0.71 -0.75 4.76 4.94 2wzaA1 ASN 1091 HB2 0.01 0.02 0.15 -0.04 2.88 3.03 2wzaA1 ASN 1091 HB3 0.00 0.00 0.18 -0.04 2.79 2.93 2wzaA1 ASN 1091 HD21 0.02 -0.03 0.06 -0.04 7.03 7.05 2wzaA1 ASN 1091 HD22 0.02 0.03 0.04 -0.04 7.74 7.79 2wzaA1 ILE 1092 H 0.02 0.62 0.22 -0.55 8.25 8.57 2wzaA1 ILE 1092 HA 0.00 0.29 0.87 -0.75 4.18 4.59 2wzaA1 ILE 1092 HB 0.01 -0.00 0.04 -0.04 1.89 1.90 2wzaA1 ILE 1092 HG12 0.02 -0.03 -0.54 -0.04 1.49 0.91 2wzaA1 ILE 1092 HG13 0.01 -0.05 -0.34 -0.04 1.21 0.79 2wzaA1 ILE 1092 HG23 0.01 0.07 -0.20 -0.04 0.93 0.77 2wzaA1 ILE 1092 HD13 0.01 -0.01 -0.21 -0.04 0.88 0.63 2wzaA1 ASP 1093 H 0.02 0.08 -0.07 -0.55 8.40 7.88 2wzaA1 ASP 1093 HA 0.04 -0.01 0.41 -0.75 4.63 4.31 2wzaA1 ASP 1093 HB2 0.02 0.04 0.11 -0.04 2.71 2.83 2wzaA1 ASP 1093 HB3 0.02 0.05 0.06 -0.04 2.70 2.79 2wzaA1 GLY 1094 H -0.01 0.44 0.38 -0.55 8.43 8.69 2wzaA1 GLY 1094 HA2 -0.03 0.06 0.39 -0.51 4.01 3.93 2wzaA1 GLY 1094 HA3 -0.01 -0.01 0.43 -0.51 4.01 3.91 2wzaA1 LYS 1095 H -0.01 0.35 -0.31 -0.55 8.42 7.90 2wzaA1 LYS 1095 HA -0.00 0.14 0.56 -0.75 4.32 4.26 2wzaA1 LYS 1095 HB2 0.01 0.00 -0.02 -0.04 1.87 1.81 2wzaA1 LYS 1095 HB3 0.01 0.12 -0.07 -0.04 1.79 1.81 2wzaA1 LYS 1095 HG2 -0.01 -0.01 -0.15 -0.04 1.46 1.25 2wzaA1 LYS 1095 HG3 -0.01 -0.03 -0.29 -0.04 1.46 1.09 2wzaA1 LYS 1095 HD2 -0.01 -0.09 -0.14 -0.04 1.69 1.40 2wzaA1 LYS 1095 HD3 -0.04 0.12 -0.34 -0.04 1.68 1.38 2wzaA1 LYS 1095 HE2 -0.02 0.05 -0.00 -0.04 2.99 2.98 2wzaA1 LYS 1095 HE3 -0.03 -0.04 -0.05 -0.04 2.99 2.84 2wzaA1 GLU 1096 H 0.03 0.60 0.30 -0.55 8.60 8.98 2wzaA1 GLU 1096 HA 0.04 0.19 0.78 -0.75 4.29 4.54 2wzaA1 GLU 1096 HB2 0.10 -0.02 0.02 -0.04 2.09 2.15 2wzaA1 GLU 1096 HB3 0.07 -0.07 0.01 -0.04 1.99 1.96 2wzaA1 GLU 1096 HG2 0.04 0.03 0.05 -0.04 2.34 2.42 2wzaA1 GLU 1096 HG3 0.06 0.12 -0.07 -0.04 2.34 2.41 2wzaA1 VAL 1097 H 0.08 0.85 0.39 -0.55 8.24 9.02 2wzaA1 VAL 1097 HA 0.08 0.02 1.00 -0.75 4.13 4.48 2wzaA1 VAL 1097 HB 0.19 0.01 -0.02 -0.04 2.12 2.26 2wzaA1 VAL 1097 HG13 0.08 -0.00 -0.27 -0.04 0.97 0.74 2wzaA1 VAL 1097 HG23 0.06 0.03 -0.26 -0.04 0.95 0.74 2wzaA1 LEU 1098 H 0.08 0.06 0.10 -0.55 8.37 8.05 2wzaA1 LEU 1098 HA 0.10 0.08 0.38 -0.75 4.35 4.16 2wzaA1 LEU 1098 HB2 0.06 -0.06 0.04 -0.04 1.64 1.64 2wzaA1 LEU 1098 HB3 0.09 0.14 -0.00 -0.04 1.64 1.83 2wzaA1 LEU 1098 HG 0.05 -0.06 0.04 -0.04 1.64 1.62 2wzaA1 LEU 1098 HD13 -0.00 0.00 -0.04 -0.04 0.93 0.84 2wzaA1 LEU 1098 HD23 0.03 0.01 -0.02 -0.04 0.89 0.87 2wzaA1 ALA 1099 H 0.16 0.16 0.18 -0.55 8.40 8.35 2wzaA1 ALA 1099 HA 0.08 0.00 0.33 -0.75 4.34 4.00 2wzaA1 ALA 1099 HB3 0.17 -0.01 0.10 -0.04 1.41 1.62 2wzaA1 GLY 1100 H 0.00 0.20 -0.02 -0.55 8.43 8.07 2wzaA1 GLY 1100 HA2 -0.02 0.00 0.34 -0.51 4.01 3.82 2wzaA1 GLY 1100 HA3 0.00 0.14 0.51 -0.51 4.01 4.15 2wzaA1 SER 1101 H 0.02 0.52 -0.29 -0.55 8.46 8.16 2wzaA1 SER 1101 HA 0.01 0.07 0.68 -0.75 4.49 4.49 2wzaA1 SER 1101 HB2 0.03 0.10 -0.02 -0.04 3.95 4.01 2wzaA1 SER 1101 HB3 0.03 -0.02 -0.00 -0.04 3.93 3.90 2wzaA1 THR 1102 H -0.01 0.11 0.16 -0.55 8.28 7.99 2wzaA1 THR 1102 HA -0.22 0.19 0.93 -0.75 4.39 4.54 2wzaA1 THR 1102 HB -0.37 -0.05 0.03 -0.04 4.32 3.90 2wzaA1 THR 1102 HG23 -0.85 -0.01 -0.34 -0.04 1.22 -0.03 2wzaA1 ASN 1103 H -0.33 0.83 0.24 -0.55 8.53 8.73 2wzaA1 ASN 1103 HA -0.24 0.17 0.77 -0.75 4.76 4.70 2wzaA1 ASN 1103 HB2 -0.51 0.05 0.27 -0.04 2.88 2.65 2wzaA1 ASN 1103 HB3 -1.11 -0.05 0.00 -0.04 2.79 1.59 2wzaA1 ASN 1103 HD21 -0.10 -0.02 -0.15 -0.04 7.03 6.72 2wzaA1 ASN 1103 HD22 -0.21 0.30 0.01 -0.04 7.74 7.79 2wzaA1 TYR 1104 H 0.02 0.77 0.12 -0.55 8.29 8.65 2wzaA1 TYR 1104 HA -0.06 0.04 0.52 -0.75 4.56 4.30 2wzaA1 TYR 1104 HB2 -0.05 0.07 -0.13 -0.04 3.06 2.91 2wzaA1 TYR 1104 HB3 -0.02 0.04 -0.04 -0.04 2.98 2.91 2wzaA1 TYR 1104 HD2 -0.04 0.10 -0.13 -0.04 7.15 7.04 2wzaA1 TYR 1104 HE2 -0.03 -0.03 -0.01 -0.04 6.85 6.74 2wzaA1 TYR 1105 H -0.08 0.39 -0.22 -0.55 8.29 7.83 2wzaA1 TYR 1105 HA 0.05 0.10 0.41 -0.75 4.56 4.36 2wzaA1 TYR 1105 HB2 0.02 0.11 0.02 -0.04 3.06 3.18 2wzaA1 TYR 1105 HB3 0.03 0.02 -0.12 -0.04 2.98 2.87 2wzaA1 TYR 1105 HD2 0.03 0.14 -0.10 -0.04 7.15 7.18 2wzaA1 TYR 1105 HE2 0.06 -0.02 -0.14 -0.04 6.85 6.72 2wzaA1 GLU 1106 H 0.16 0.58 0.30 -0.55 8.60 9.09 2wzaA1 GLU 1106 HA 0.04 0.32 1.02 -0.75 4.29 4.92 2wzaA1 GLU 1106 HB2 0.06 0.03 -0.03 -0.04 2.09 2.11 2wzaA1 GLU 1106 HB3 0.04 -0.09 0.02 -0.04 1.99 1.92 2wzaA1 GLU 1106 HG2 0.01 0.00 -0.13 -0.04 2.34 2.17 2wzaA1 GLU 1106 HG3 0.03 0.03 -0.08 -0.04 2.34 2.28 2wzaA1 LEU 1107 H -0.07 0.77 0.30 -0.55 8.37 8.82 2wzaA1 LEU 1107 HA -0.02 0.31 1.01 -0.75 4.35 4.89 2wzaA1 LEU 1107 HB2 -0.51 -0.10 0.03 -0.04 1.64 1.02 2wzaA1 LEU 1107 HB3 -0.22 0.03 -0.02 -0.04 1.64 1.39 2wzaA1 LEU 1107 HG -0.08 0.07 -0.18 -0.04 1.64 1.41 2wzaA1 LEU 1107 HD13 -0.20 -0.01 -0.17 -0.04 0.93 0.50 2wzaA1 LEU 1107 HD23 0.00 0.00 -0.19 -0.04 0.89 0.66 2wzaA1 THR 1108 H 0.04 0.54 0.34 -0.55 8.28 8.65 2wzaA1 THR 1108 HA 0.01 0.34 1.21 -0.75 4.39 5.20 2wzaA1 THR 1108 HB 0.07 0.02 0.01 -0.04 4.32 4.38 2wzaA1 THR 1108 HG23 0.02 0.01 -0.13 -0.04 1.22 1.08 2wzaA1 TRP 1109 H 0.20 0.94 0.26 -0.55 7.97 8.83 2wzaA1 TRP 1109 HA 0.33 0.12 0.74 -0.75 4.62 5.06 2wzaA1 TRP 1109 HB2 -0.08 0.04 -0.09 -0.04 3.23 3.05 2wzaA1 TRP 1109 HB3 0.03 -0.16 0.15 -0.04 3.23 3.22 2wzaA1 TRP 1109 HD1 0.25 0.03 -0.27 -0.04 7.22 7.19 2wzaA1 TRP 1109 HE1 0.34 0.02 -0.16 -0.04 10.20 10.35 2wzaA1 TRP 1109 HE3 -0.05 0.01 -0.19 -0.04 7.59 7.31 2wzaA1 TRP 1109 HZ2 0.16 -0.04 -0.25 -0.04 7.44 7.27 2wzaA1 TRP 1109 HZ3 0.04 -0.01 -0.27 -0.04 7.13 6.85 2wzaA1 TRP 1109 HH2 -0.11 0.04 -0.52 -0.04 7.19 6.56 2wzaA1 ASP 1110 H 0.38 0.23 -0.02 -0.55 8.40 8.44 2wzaA1 ASP 1110 HA 0.12 0.05 0.48 -0.75 4.63 4.53 2wzaA1 ASP 1110 HB2 0.09 0.17 -0.19 -0.04 2.71 2.74 2wzaA1 ASP 1110 HB3 0.08 -0.04 -0.13 -0.04 2.70 2.58 2wzaA1 LEU 1111 H 0.06 0.11 0.21 -0.55 8.37 8.20 2wzaA1 LEU 1111 HA 0.09 0.22 0.71 -0.75 4.35 4.62 2wzaA1 LEU 1111 HB2 -0.01 0.02 -0.53 -0.04 1.64 1.07 2wzaA1 LEU 1111 HB3 0.06 0.04 -0.13 -0.04 1.64 1.56 2wzaA1 LEU 1111 HG 0.00 0.01 -0.43 -0.04 1.64 1.19 2wzaA1 LEU 1111 HD13 -0.45 0.09 -0.25 -0.04 0.93 0.28 2wzaA1 LEU 1111 HD23 0.24 0.04 -0.34 -0.04 0.89 0.79 2wzaA1 ASP 1112 H -0.02 0.03 0.05 -0.55 8.40 7.92 2wzaA1 ASP 1112 HA -0.02 0.19 0.32 -0.75 4.63 4.37 2wzaA1 ASP 1112 HB2 -0.03 0.08 0.12 -0.04 2.71 2.84 2wzaA1 ASP 1112 HB3 -0.02 -0.01 0.17 -0.04 2.70 2.80 2wzaA1 GLN 1113 H -0.15 0.09 -0.25 -0.55 8.47 7.62 2wzaA1 GLN 1113 HA -0.07 0.10 0.37 -0.75 4.36 4.00 2wzaA1 GLN 1113 HB2 -0.08 -0.01 0.04 -0.04 2.15 2.06 2wzaA1 GLN 1113 HB3 -0.10 0.07 0.02 -0.04 2.02 1.97 2wzaA1 GLN 1113 HG2 -0.45 0.04 -0.40 -0.04 2.40 1.54 2wzaA1 GLN 1113 HG3 -0.18 -0.04 -0.26 -0.04 2.39 1.87 2wzaA1 GLN 1113 HE21 -0.53 0.38 -0.01 -0.04 6.97 6.78 2wzaA1 GLN 1113 HE22 -2.11 -0.01 -0.12 -0.04 7.69 5.40 2wzaA1 TYR 1114 H -0.05 0.38 -0.51 -0.55 8.29 7.56 2wzaA1 TYR 1114 HA 0.10 0.07 0.51 -0.75 4.56 4.49 2wzaA1 TYR 1114 HB2 0.05 0.25 0.09 -0.04 3.06 3.42 2wzaA1 TYR 1114 HB3 0.15 -0.10 -0.04 -0.04 2.98 2.95 2wzaA1 TYR 1114 HD2 0.16 0.02 -0.05 -0.04 7.15 7.24 2wzaA1 TYR 1114 HE2 0.29 -0.01 -0.08 -0.04 6.85 7.01 2wzaA1 LYS 1115 H 0.05 0.34 -0.30 -0.55 8.42 7.96 2wzaA1 LYS 1115 HA 0.00 0.13 0.07 -0.75 4.32 3.77 2wzaA1 LYS 1115 HB2 -0.01 -0.01 -0.10 -0.04 1.87 1.71 2wzaA1 LYS 1115 HB3 -0.00 0.02 0.11 -0.04 1.79 1.87 2wzaA1 LYS 1115 HG2 -0.01 -0.07 -0.32 -0.04 1.46 1.02 2wzaA1 LYS 1115 HG3 -0.03 0.06 -0.07 -0.04 1.46 1.38 2wzaA1 LYS 1115 HD2 -0.03 0.17 -0.04 -0.04 1.69 1.75 2wzaA1 LYS 1115 HD3 -0.02 -0.07 -0.02 -0.04 1.68 1.53 2wzaA1 LYS 1115 HE2 -0.02 -0.06 -0.03 -0.04 2.99 2.82 2wzaA1 LYS 1115 HE3 -0.04 0.01 0.00 -0.04 2.99 2.93 2wzaA1 GLY 1116 H -0.02 0.59 0.35 -0.55 8.43 8.81 2wzaA1 GLY 1116 HA2 0.00 -0.05 0.39 -0.51 4.01 3.85 2wzaA1 GLY 1116 HA3 0.01 0.01 0.44 -0.51 4.01 3.95 2wzaA1 ASP 1117 H 0.08 0.49 -0.39 -0.55 8.40 8.03 2wzaA1 ASP 1117 HA 0.07 0.05 0.66 -0.75 4.63 4.65 2wzaA1 ASP 1117 HB2 0.17 0.04 -0.01 -0.04 2.71 2.87 2wzaA1 ASP 1117 HB3 0.10 -0.06 0.05 -0.04 2.70 2.74 2wzaA1 LYS 1118 H 0.06 0.14 0.17 -0.55 8.42 8.24 2wzaA1 LYS 1118 HA 0.19 0.21 0.89 -0.75 4.32 4.85 2wzaA1 LYS 1118 HB2 0.04 -0.05 -0.02 -0.04 1.87 1.80 2wzaA1 LYS 1118 HB3 0.08 0.06 0.04 -0.04 1.79 1.93 2wzaA1 LYS 1118 HG2 0.04 0.02 -0.01 -0.04 1.46 1.47 2wzaA1 LYS 1118 HG3 0.04 0.00 0.09 -0.04 1.46 1.56 2wzaA1 LYS 1118 HD2 0.02 0.01 0.02 -0.04 1.69 1.70 2wzaA1 LYS 1118 HD3 0.02 -0.03 -0.06 -0.04 1.68 1.56 2wzaA1 LYS 1118 HE2 0.02 -0.00 -0.08 -0.04 2.99 2.88 2wzaA1 LYS 1118 HE3 0.02 0.02 -0.03 -0.04 2.99 2.96 2wzaA1 SER 1119 H 0.03 0.28 0.12 -0.55 8.46 8.35 2wzaA1 SER 1119 HA -0.11 0.16 0.84 -0.75 4.49 4.63 2wzaA1 SER 1119 HB2 -0.23 -0.01 -0.03 -0.04 3.95 3.63 2wzaA1 SER 1119 HB3 -0.33 -0.04 0.02 -0.04 3.93 3.54 2wzaA1 SER 1120 H -0.09 0.16 0.13 -0.55 8.46 8.12 2wzaA1 SER 1120 HA -0.04 0.12 0.48 -0.75 4.49 4.29 2wzaA1 SER 1120 HB2 -0.03 -0.02 0.16 -0.04 3.95 4.02 2wzaA1 SER 1120 HB3 -0.04 0.15 0.16 -0.04 3.93 4.16 2wzaA1 LYS 1121 H -0.03 0.20 0.20 -0.55 8.42 8.24 2wzaA1 LYS 1121 HA -0.04 0.11 0.56 -0.75 4.32 4.20 2wzaA1 LYS 1121 HB2 -0.01 -0.03 0.11 -0.04 1.87 1.91 2wzaA1 LYS 1121 HB3 -0.00 0.05 0.03 -0.04 1.79 1.83 2wzaA1 LYS 1121 HG2 0.00 0.04 0.07 -0.04 1.46 1.52 2wzaA1 LYS 1121 HG3 -0.02 0.03 0.13 -0.04 1.46 1.55 2wzaA1 LYS 1121 HD2 -0.01 -0.05 0.10 -0.04 1.69 1.69 2wzaA1 LYS 1121 HD3 0.00 0.03 0.04 -0.04 1.68 1.72 2wzaA1 LYS 1121 HE2 0.01 0.02 0.03 -0.04 2.99 3.01 2wzaA1 LYS 1121 HE3 -0.00 0.01 0.05 -0.04 2.99 3.01 2wzaA1 GLU 1122 H -0.02 0.05 -0.19 -0.55 8.60 7.89 2wzaA1 GLU 1122 HA 0.00 0.11 0.33 -0.75 4.29 3.99 2wzaA1 GLU 1122 HB2 -0.01 -0.08 0.08 -0.04 2.09 2.04 2wzaA1 GLU 1122 HB3 -0.00 0.11 -0.07 -0.04 1.99 1.99 2wzaA1 GLU 1122 HG2 -0.00 0.07 0.00 -0.04 2.34 2.37 2wzaA1 GLU 1122 HG3 -0.00 -0.06 -0.00 -0.04 2.34 2.24 2wzaA1 ALA 1123 H -0.02 -0.00 -0.20 -0.55 8.40 7.62 2wzaA1 ALA 1123 HA 0.04 0.16 0.48 -0.75 4.34 4.27 2wzaA1 ALA 1123 HB3 -0.11 0.02 0.08 -0.04 1.41 1.37 2wzaA1 ILE 1124 H 0.03 0.50 -0.18 -0.55 8.25 8.06 2wzaA1 ILE 1124 HA 0.18 0.02 0.32 -0.75 4.18 3.94 2wzaA1 ILE 1124 HB -0.01 0.06 0.10 -0.04 1.89 2.01 2wzaA1 ILE 1124 HG12 -0.08 -0.04 -0.02 -0.04 1.49 1.30 2wzaA1 ILE 1124 HG13 -0.16 0.21 -0.08 -0.04 1.21 1.15 2wzaA1 ILE 1124 HG23 0.21 -0.02 -0.19 -0.04 0.93 0.89 2wzaA1 ILE 1124 HD13 -0.78 -0.02 -0.04 -0.04 0.88 0.00 2wzaA1 GLN 1125 H 0.02 0.47 -0.37 -0.55 8.47 8.05 2wzaA1 GLN 1125 HA 0.02 -0.03 0.47 -0.75 4.36 4.06 2wzaA1 GLN 1125 HB2 0.01 0.13 0.13 -0.04 2.15 2.38 2wzaA1 GLN 1125 HB3 0.02 -0.02 0.04 -0.04 2.02 2.01 2wzaA1 GLN 1125 HG2 0.02 0.03 0.01 -0.04 2.40 2.42 2wzaA1 GLN 1125 HG3 0.02 -0.04 0.00 -0.04 2.39 2.33 2wzaA1 GLN 1125 HE21 0.06 -0.11 -0.02 -0.04 6.97 6.86 2wzaA1 GLN 1125 HE22 0.05 0.00 -0.07 -0.04 7.69 7.62 2wzaA1 ASN 1126 H -0.01 0.50 -0.38 -0.55 8.53 8.10 2wzaA1 ASN 1126 HA 0.02 0.04 0.56 -0.75 4.76 4.62 2wzaA1 ASN 1126 HB2 0.03 0.13 -0.03 -0.04 2.88 2.97 2wzaA1 ASN 1126 HB3 0.02 -0.07 -0.31 -0.04 2.79 2.38 2wzaA1 ASN 1126 HD21 0.02 -0.13 -0.03 -0.04 7.03 6.85 2wzaA1 ASN 1126 HD22 0.06 0.13 0.07 -0.04 7.74 7.96 2wzaA1 GLY 1127 H -0.25 0.39 -0.42 -0.55 8.43 7.60 2wzaA1 GLY 1127 HA2 -0.35 0.01 0.36 -0.51 4.01 3.52 2wzaA1 GLY 1127 HA3 -0.16 0.08 0.23 -0.51 4.01 3.65 2wzaA1 PHE 1128 H -0.44 0.20 0.19 -0.55 8.34 7.74 2wzaA1 PHE 1128 HA 0.11 0.35 1.03 -0.75 4.62 5.35 2wzaA1 PHE 1128 HB2 -0.67 -0.10 0.14 -0.04 3.15 2.48 2wzaA1 PHE 1128 HB3 0.01 0.05 0.01 -0.04 3.06 3.09 2wzaA1 PHE 1128 HD2 -0.08 -0.01 0.05 -0.04 7.28 7.20 2wzaA1 PHE 1128 HE2 -0.70 0.09 0.02 -0.04 7.38 6.75 2wzaA1 PHE 1128 HZ -0.05 -0.02 -0.01 -0.04 7.32 7.20 2wzaA1 TYR 1129 H 0.41 0.76 0.38 -0.55 8.29 9.29 2wzaA1 TYR 1129 HA 0.29 0.16 0.88 -0.75 4.56 5.14 2wzaA1 TYR 1129 HB2 0.05 -0.02 -0.05 -0.04 3.06 3.00 2wzaA1 TYR 1129 HB3 0.11 0.07 0.06 -0.04 2.98 3.18 2wzaA1 TYR 1129 HD2 0.07 0.08 -0.14 -0.04 7.15 7.12 2wzaA1 TYR 1129 HE2 0.02 0.14 -0.08 -0.04 6.85 6.89 2wzaA1 TYR 1130 H 0.24 0.54 0.24 -0.55 8.29 8.76 2wzaA1 TYR 1130 HA -0.32 0.27 0.88 -0.75 4.56 4.63 2wzaA1 TYR 1130 HB2 -1.36 -0.06 -0.12 -0.04 3.06 1.48 2wzaA1 TYR 1130 HB3 -0.38 -0.08 0.01 -0.04 2.98 2.50 2wzaA1 TYR 1130 HD2 -1.21 -0.04 -0.20 -0.04 7.15 5.66 2wzaA1 TYR 1130 HE2 -0.26 -0.02 -0.08 -0.04 6.85 6.45 2wzaA1 VAL 1131 H -0.10 0.68 0.30 -0.55 8.24 8.58 2wzaA1 VAL 1131 HA 0.31 0.27 1.01 -0.75 4.13 4.96 2wzaA1 VAL 1131 HB 0.19 -0.06 0.09 -0.04 2.12 2.31 2wzaA1 VAL 1131 HG13 0.11 -0.01 -0.23 -0.04 0.97 0.80 2wzaA1 VAL 1131 HG23 -0.01 0.01 -0.15 -0.04 0.95 0.76 2wzaA1 ASP 1132 H 0.39 0.56 0.25 -0.55 8.40 9.05 2wzaA1 ASP 1132 HA 0.19 0.25 0.94 -0.75 4.63 5.25 2wzaA1 ASP 1132 HB2 0.28 0.01 -0.05 -0.04 2.71 2.91 2wzaA1 ASP 1132 HB3 0.30 -0.10 0.16 -0.04 2.70 3.03 2wzaA1 ASP 1133 H 0.18 0.42 0.06 -0.55 8.40 8.51 2wzaA1 ASP 1133 HA 0.23 0.11 0.81 -0.75 4.63 5.03 2wzaA1 ASP 1133 HB2 0.15 -0.03 0.03 -0.04 2.71 2.83 2wzaA1 ASP 1133 HB3 0.14 0.00 0.18 -0.04 2.70 2.98 2wzaA1 TYR 1134 H 0.39 0.21 0.05 -0.55 8.29 8.40 2wzaA1 TYR 1134 HA 0.00 0.10 0.63 -0.75 4.56 4.54 2wzaA1 TYR 1134 HB2 0.04 0.03 -0.04 -0.04 3.06 3.04 2wzaA1 TYR 1134 HB3 0.04 -0.02 -0.03 -0.04 2.98 2.92 2wzaA1 TYR 1134 HD2 0.05 0.07 -0.19 -0.04 7.15 7.04 2wzaA1 TYR 1134 HE2 -0.01 0.06 -0.19 -0.04 6.85 6.67 2wzaA1 PRO 1135 HA -0.04 0.12 0.65 -0.51 4.44 4.66 2wzaA1 PRO 1135 HB2 0.07 -0.08 0.21 -0.04 2.28 2.45 2wzaA1 PRO 1135 HB3 0.10 0.20 0.26 -0.04 2.02 2.54 2wzaA1 PRO 1135 HG2 0.03 -0.07 0.09 -0.04 2.03 2.04 2wzaA1 PRO 1135 HG3 0.28 0.01 -0.06 -0.04 2.03 2.22 2wzaA1 PRO 1135 HD2 0.25 0.03 0.06 -0.04 3.68 3.97 2wzaA1 PRO 1135 HD3 0.13 0.19 0.21 -0.04 3.65 4.14 2wzaA1 GLU 1136 H -0.24 0.40 0.28 -0.55 8.60 8.49 2wzaA1 GLU 1136 HA 0.08 0.15 0.25 -0.75 4.29 4.01 2wzaA1 GLU 1136 HB2 -0.03 0.00 0.13 -0.04 2.09 2.16 2wzaA1 GLU 1136 HB3 -0.43 0.08 0.15 -0.04 1.99 1.75 2wzaA1 GLU 1136 HG2 -0.04 0.02 -0.04 -0.04 2.34 2.24 2wzaA1 GLU 1136 HG3 -0.06 -0.01 0.10 -0.04 2.34 2.33 2wzaA1 GLU 1137 H 0.00 0.06 -0.28 -0.55 8.60 7.84 2wzaA1 GLU 1137 HA 0.06 0.08 0.38 -0.75 4.29 4.06 2wzaA1 GLU 1137 HB2 0.11 0.01 0.04 -0.04 2.09 2.21 2wzaA1 GLU 1137 HB3 0.14 0.04 0.09 -0.04 1.99 2.22 2wzaA1 GLU 1137 HG2 0.05 0.02 0.04 -0.04 2.34 2.40 2wzaA1 GLU 1137 HG3 0.02 -0.08 0.04 -0.04 2.34 2.28 2wzaA1 ALA 1138 H -0.05 0.33 -0.32 -0.55 8.40 7.81 2wzaA1 ALA 1138 HA -0.32 0.15 0.90 -0.75 4.34 4.32 2wzaA1 ALA 1138 HB3 -0.63 0.01 -0.03 -0.04 1.41 0.71 2wzaA1 LEU 1139 H -0.08 0.31 0.09 -0.55 8.37 8.14 2wzaA1 LEU 1139 HA -0.21 0.29 0.87 -0.75 4.35 4.54 2wzaA1 LEU 1139 HB2 0.04 -0.03 -0.21 -0.04 1.64 1.40 2wzaA1 LEU 1139 HB3 -0.11 -0.04 -0.33 -0.04 1.64 1.12 2wzaA1 LEU 1139 HG -0.36 0.00 -0.16 -0.04 1.64 1.08 2wzaA1 LEU 1139 HD13 0.13 -0.01 -0.17 -0.04 0.93 0.84 2wzaA1 LEU 1139 HD23 -0.84 0.04 -0.41 -0.04 0.89 -0.36 2wzaA1 ASP 1140 H -0.09 0.55 0.19 -0.55 8.40 8.50 2wzaA1 ASP 1140 HA -0.01 0.16 0.94 -0.75 4.63 4.97 2wzaA1 ASP 1140 HB2 -0.06 -0.03 0.12 -0.04 2.71 2.69 2wzaA1 ASP 1140 HB3 -0.05 0.08 -0.03 -0.04 2.70 2.66 2wzaA1 VAL 1141 H -0.13 0.14 0.07 -0.55 8.24 7.77 2wzaA1 VAL 1141 HA -0.15 0.14 0.57 -0.75 4.13 3.93 2wzaA1 VAL 1141 HB -0.20 -0.03 0.09 -0.04 2.12 1.93 2wzaA1 VAL 1141 HG13 -0.15 0.01 -0.18 -0.04 0.97 0.61 2wzaA1 VAL 1141 HG23 -0.65 0.01 -0.06 -0.04 0.95 0.21 2wzaA1 ARG 1142 H -0.09 0.60 0.21 -0.55 8.46 8.63 2wzaA1 ARG 1142 HA -0.06 0.17 0.78 -0.75 4.34 4.47 2wzaA1 ARG 1142 HB2 -0.09 0.11 0.03 -0.04 1.90 1.92 2wzaA1 ARG 1142 HB3 -0.04 -0.10 0.12 -0.04 1.80 1.74 2wzaA1 ARG 1142 HG2 -0.05 -0.00 -0.02 -0.04 1.67 1.56 2wzaA1 ARG 1142 HG3 -0.08 0.05 -0.11 -0.04 1.67 1.50 2wzaA1 ARG 1142 HD2 -0.10 -0.00 -0.10 -0.04 3.22 2.97 2wzaA1 ARG 1142 HD3 -0.11 -0.02 -0.11 -0.04 3.22 2.93 2wzaA1 PRO 1143 HA -0.06 0.05 0.16 -0.51 4.44 4.07 2wzaA1 PRO 1143 HB2 -0.04 0.03 0.02 -0.04 2.28 2.25 2wzaA1 PRO 1143 HB3 -0.06 0.03 0.06 -0.04 2.02 2.00 2wzaA1 PRO 1143 HG2 -0.05 0.03 0.06 -0.04 2.03 2.03 2wzaA1 PRO 1143 HG3 -0.08 0.02 0.02 -0.04 2.03 1.96 2wzaA1 PRO 1143 HD2 -0.04 0.05 0.09 -0.04 3.68 3.73 2wzaA1 PRO 1143 HD3 -0.07 0.75 0.11 -0.04 3.65 4.41 2wzaA1 ASP 1144 H -0.02 0.09 -0.23 -0.55 8.40 7.69 2wzaA1 ASP 1144 HA -0.00 0.18 0.53 -0.75 4.63 4.58 2wzaA1 ASP 1144 HB2 -0.01 -0.06 0.07 -0.04 2.71 2.67 2wzaA1 ASP 1144 HB3 -0.00 0.02 0.02 -0.04 2.70 2.71 2wzaA1 LEU 1145 H -0.00 0.66 -0.13 -0.55 8.37 8.35 2wzaA1 LEU 1145 HA 0.03 0.16 0.87 -0.75 4.35 4.66 2wzaA1 LEU 1145 HB2 0.01 0.13 0.10 -0.04 1.64 1.84 2wzaA1 LEU 1145 HB3 0.07 -0.05 0.03 -0.04 1.64 1.65 2wzaA1 LEU 1145 HG 0.02 -0.07 -0.12 -0.04 1.64 1.43 2wzaA1 LEU 1145 HD13 0.08 -0.02 -0.04 -0.04 0.93 0.91 2wzaA1 LEU 1145 HD23 0.06 0.02 0.01 -0.04 0.89 0.94 2wzaA1 VAL 1146 H 0.02 0.17 -0.17 -0.55 8.24 7.71 2wzaA1 VAL 1146 HA 0.08 0.27 0.49 -0.75 4.13 4.21 2wzaA1 VAL 1146 HB 0.03 0.14 0.19 -0.04 2.12 2.43 2wzaA1 VAL 1146 HG13 0.21 -0.02 -0.18 -0.04 0.97 0.93 2wzaA1 VAL 1146 HG23 0.02 -0.05 -0.07 -0.04 0.95 0.81 2wzaA1 LYS 1147 H 0.07 0.45 0.43 -0.55 8.42 8.81 2wzaA1 LYS 1147 HA 0.07 0.17 0.96 -0.75 4.32 4.77 2wzaA1 LYS 1147 HB2 0.03 -0.09 0.04 -0.04 1.87 1.82 2wzaA1 LYS 1147 HB3 0.03 -0.01 -0.03 -0.04 1.79 1.74 2wzaA1 LYS 1147 HG2 0.03 -0.00 -0.15 -0.04 1.46 1.30 2wzaA1 LYS 1147 HG3 0.04 0.31 -0.29 -0.04 1.46 1.48 2wzaA1 LYS 1147 HD2 0.02 -0.03 -0.04 -0.04 1.69 1.59 2wzaA1 LYS 1147 HD3 0.03 -0.01 -0.03 -0.04 1.68 1.62 2wzaA1 LYS 1147 HE2 0.04 0.07 0.04 -0.04 2.99 3.09 2wzaA1 LYS 1147 HE3 0.02 -0.05 -0.03 -0.04 2.99 2.89 2wzaA1 VAL 1148 H 0.08 0.22 0.17 -0.55 8.24 8.16 2wzaA1 VAL 1148 HA 0.00 0.26 1.12 -0.75 4.13 4.76 2wzaA1 VAL 1148 HB 0.08 0.02 0.16 -0.04 2.12 2.33 2wzaA1 VAL 1148 HG13 0.04 -0.01 -0.16 -0.04 0.97 0.80 2wzaA1 VAL 1148 HG23 0.20 -0.01 -0.14 -0.04 0.95 0.96 2wzaA1 ALA 1149 H -0.02 0.81 0.30 -0.55 8.40 8.94 2wzaA1 ALA 1149 HA -0.03 0.14 0.85 -0.75 4.34 4.55 2wzaA1 ALA 1149 HB3 -0.01 -0.03 -0.16 -0.04 1.41 1.18 2wzaA1 ASP 1150 H -0.04 0.53 0.13 -0.55 8.40 8.47 2wzaA1 ASP 1150 HA -0.08 0.24 0.84 -0.75 4.63 4.87 2wzaA1 ASP 1150 HB2 -0.02 0.02 0.18 -0.04 2.71 2.84 2wzaA1 ASP 1150 HB3 -0.04 0.08 0.08 -0.04 2.70 2.77 2wzaA1 GLU 1151 H -0.02 0.29 0.14 -0.55 8.60 8.47 2wzaA1 GLU 1151 HA -0.01 0.14 0.32 -0.75 4.29 3.99 2wzaA1 GLU 1151 HB2 -0.01 -0.01 0.08 -0.04 2.09 2.11 2wzaA1 GLU 1151 HB3 -0.01 0.04 0.00 -0.04 1.99 1.98 2wzaA1 GLU 1151 HG2 -0.00 0.02 -0.14 -0.04 2.34 2.18 2wzaA1 GLU 1151 HG3 -0.01 0.14 -0.11 -0.04 2.34 2.32 2wzaA1 LYS 1152 H -0.01 0.06 -0.11 -0.55 8.42 7.80 2wzaA1 LYS 1152 HA -0.01 0.15 0.51 -0.75 4.32 4.22 2wzaA1 LYS 1152 HB2 -0.00 0.00 0.03 -0.04 1.87 1.86 2wzaA1 LYS 1152 HB3 -0.01 0.06 0.10 -0.04 1.79 1.90 2wzaA1 LYS 1152 HG2 -0.01 0.02 0.07 -0.04 1.46 1.50 2wzaA1 LYS 1152 HG3 -0.00 -0.14 0.02 -0.04 1.46 1.30 2wzaA1 LYS 1152 HD2 -0.00 -0.01 -0.01 -0.04 1.69 1.64 2wzaA1 LYS 1152 HD3 -0.01 0.05 0.02 -0.04 1.68 1.70 2wzaA1 LYS 1152 HE2 -0.01 0.04 0.03 -0.04 2.99 3.02 2wzaA1 LYS 1152 HE3 0.01 -0.07 0.04 -0.04 2.99 2.93 2wzaA1 GLY 1153 H -0.01 0.29 -0.81 -0.55 8.43 7.35 2wzaA1 GLY 1153 HA2 -0.01 0.08 0.18 -0.51 4.01 3.76 2wzaA1 GLY 1153 HA3 -0.00 0.13 0.43 -0.51 4.01 4.06 2wzaA1 ASN 1154 H -0.00 -0.05 -0.42 -0.55 8.53 7.51 2wzaA1 ASN 1154 HA 0.01 0.08 0.47 -0.75 4.76 4.56 2wzaA1 ASN 1154 HB2 0.02 -0.09 0.03 -0.04 2.88 2.79 2wzaA1 ASN 1154 HB3 0.02 0.10 -0.03 -0.04 2.79 2.84 2wzaA1 ASN 1154 HD21 0.00 0.03 -0.06 -0.04 7.03 6.96 2wzaA1 ASN 1154 HD22 0.00 0.02 -0.04 -0.04 7.74 7.68 2wzaA1 GLN 1155 H 0.01 0.10 0.20 -0.55 8.47 8.24 2wzaA1 GLN 1155 HA 0.01 0.15 0.53 -0.75 4.36 4.30 2wzaA1 GLN 1155 HB2 0.02 -0.06 0.07 -0.04 2.15 2.14 2wzaA1 GLN 1155 HB3 0.02 0.07 0.08 -0.04 2.02 2.15 2wzaA1 GLN 1155 HG2 0.01 0.09 0.10 -0.04 2.40 2.56 2wzaA1 GLN 1155 HG3 0.01 -0.07 0.19 -0.04 2.39 2.49 2wzaA1 GLN 1155 HE21 0.01 -0.01 0.03 -0.04 6.97 6.95 2wzaA1 GLN 1155 HE22 0.01 -0.01 0.05 -0.04 7.69 7.70 2wzaA1 VAL 1156 H 0.00 0.61 0.36 -0.55 8.24 8.67 2wzaA1 VAL 1156 HA 0.06 0.09 0.78 -0.75 4.13 4.30 2wzaA1 VAL 1156 HB -0.05 0.06 -0.01 -0.04 2.12 2.08 2wzaA1 VAL 1156 HG13 -0.10 -0.04 -0.27 -0.04 0.97 0.52 2wzaA1 VAL 1156 HG23 -0.29 -0.00 -0.23 -0.04 0.95 0.39 2wzaA1 SER 1157 H 0.11 0.19 0.16 -0.55 8.46 8.38 2wzaA1 SER 1157 HA 0.07 0.21 0.94 -0.75 4.49 4.97 2wzaA1 SER 1157 HB2 0.05 0.05 0.01 -0.04 3.95 4.02 2wzaA1 SER 1157 HB3 0.07 -0.00 0.02 -0.04 3.93 3.97 2wzaA1 GLY 1158 H 0.08 0.22 0.12 -0.55 8.43 8.31 2wzaA1 GLY 1158 HA2 0.09 -0.00 0.32 -0.51 4.01 3.90 2wzaA1 GLY 1158 HA3 0.14 0.18 0.72 -0.51 4.01 4.54 2wzaA1 VAL 1159 H 0.11 0.19 -0.18 -0.55 8.24 7.81 2wzaA1 VAL 1159 HA 0.08 0.40 1.06 -0.75 4.13 4.92 2wzaA1 VAL 1159 HB 0.15 0.02 -0.02 -0.04 2.12 2.23 2wzaA1 VAL 1159 HG13 0.34 -0.01 -0.24 -0.04 0.97 1.03 2wzaA1 VAL 1159 HG23 0.09 -0.01 -0.27 -0.04 0.95 0.72 2wzaA1 SER 1160 H 0.09 0.42 0.28 -0.55 8.46 8.71 2wzaA1 SER 1160 HA 0.05 0.25 1.02 -0.75 4.49 5.05 2wzaA1 SER 1160 HB2 0.00 0.02 0.14 -0.04 3.95 4.07 2wzaA1 SER 1160 HB3 0.03 -0.01 0.02 -0.04 3.93 3.93 2wzaA1 VAL 1161 H -0.07 0.24 0.21 -0.55 8.24 8.07 2wzaA1 VAL 1161 HA -0.20 0.36 0.95 -0.75 4.13 4.48 2wzaA1 VAL 1161 HB -0.94 0.03 -0.07 -0.04 2.12 1.09 2wzaA1 VAL 1161 HG13 -0.18 0.00 -0.07 -0.04 0.97 0.68 2wzaA1 VAL 1161 HG23 -0.69 -0.02 -0.30 -0.04 0.95 -0.10 2wzaA1 GLN 1162 H -0.22 0.62 0.27 -0.55 8.47 8.59 2wzaA1 GLN 1162 HA -0.26 0.12 0.92 -0.75 4.36 4.39 2wzaA1 GLN 1162 HB2 -0.17 -0.01 -0.09 -0.04 2.15 1.84 2wzaA1 GLN 1162 HB3 -0.20 0.00 0.11 -0.04 2.02 1.89 2wzaA1 GLN 1162 HG2 -0.78 -0.05 -0.07 -0.04 2.40 1.45 2wzaA1 GLN 1162 HG3 -1.05 0.17 -0.32 -0.04 2.39 1.15 2wzaA1 GLN 1162 HE21 -0.15 -0.03 0.05 -0.04 6.97 6.79 2wzaA1 GLN 1162 HE22 -0.38 0.02 0.02 -0.04 7.69 7.31 2wzaA1 GLN 1163 H -0.29 0.16 0.19 -0.55 8.47 7.98 2wzaA1 GLN 1163 HA -0.22 0.22 0.91 -0.75 4.36 4.52 2wzaA1 GLN 1163 HB2 -0.17 -0.01 0.09 -0.04 2.15 2.01 2wzaA1 GLN 1163 HB3 -0.16 -0.02 0.13 -0.04 2.02 1.92 2wzaA1 GLN 1163 HG2 0.06 0.12 0.02 -0.04 2.40 2.54 2wzaA1 GLN 1163 HG3 -0.05 -0.03 -0.02 -0.04 2.39 2.25 2wzaA1 GLN 1163 HE21 0.05 -0.07 -0.19 -0.04 6.97 6.72 2wzaA1 GLN 1163 HE22 0.27 0.03 -0.10 -0.04 7.69 7.84 2wzaA1 TYR 1164 H -0.31 0.71 0.35 -0.55 8.29 8.50 2wzaA1 TYR 1164 HA -0.19 0.13 0.84 -0.75 4.56 4.58 2wzaA1 TYR 1164 HB2 -1.36 0.00 0.01 -0.04 3.06 1.67 2wzaA1 TYR 1164 HB3 -0.34 0.09 -0.07 -0.04 2.98 2.62 2wzaA1 TYR 1164 HD2 -0.32 0.01 -0.12 -0.04 7.15 6.69 2wzaA1 TYR 1164 HE2 -0.01 0.01 -0.02 -0.04 6.85 6.79 2wzaA1 ASP 1165 H 0.02 0.18 0.11 -0.55 8.40 8.16 2wzaA1 ASP 1165 HA -0.00 0.09 0.52 -0.75 4.63 4.48 2wzaA1 ASP 1165 HB2 0.02 -0.01 0.08 -0.04 2.71 2.76 2wzaA1 ASP 1165 HB3 0.01 0.02 0.07 -0.04 2.70 2.76 2wzaA1 SER 1166 H 0.05 0.14 -0.09 -0.55 8.46 8.01 2wzaA1 SER 1166 HA 0.13 0.36 0.04 -0.75 4.49 4.27 2wzaA1 SER 1166 HB2 0.05 -0.04 0.15 -0.04 3.95 4.07 2wzaA1 SER 1166 HB3 0.04 0.15 -0.13 -0.04 3.93 3.94 2wzaA1 LEU 1167 H 0.12 0.22 0.08 -0.55 8.37 8.25 2wzaA1 LEU 1167 HA 0.17 0.14 0.55 -0.75 4.35 4.46 2wzaA1 LEU 1167 HB2 -0.03 0.08 0.06 -0.04 1.64 1.70 2wzaA1 LEU 1167 HB3 -0.02 -0.02 0.07 -0.04 1.64 1.63 2wzaA1 LEU 1167 HG -0.07 -0.00 -0.12 -0.04 1.64 1.41 2wzaA1 LEU 1167 HD13 -0.14 0.00 -0.07 -0.04 0.93 0.67 2wzaA1 LEU 1167 HD23 -0.14 0.02 -0.02 -0.04 0.89 0.71 2wzaA1 GLU 1168 H 0.01 0.08 -0.02 -0.55 8.60 8.13 2wzaA1 GLU 1168 HA -0.02 0.11 0.41 -0.75 4.29 4.03 2wzaA1 GLU 1168 HB2 0.00 -0.04 -0.01 -0.04 2.09 2.01 2wzaA1 GLU 1168 HB3 -0.01 0.06 0.02 -0.04 1.99 2.02 2wzaA1 GLU 1168 HG2 -0.01 0.05 0.03 -0.04 2.34 2.37 2wzaA1 GLU 1168 HG3 -0.01 0.00 0.06 -0.04 2.34 2.35 2wzaA1 ALA 1169 H 0.02 -0.02 -0.72 -0.55 8.40 7.13 2wzaA1 ALA 1169 HA 0.01 0.16 0.46 -0.75 4.34 4.22 2wzaA1 ALA 1169 HB3 0.04 -0.03 0.03 -0.04 1.41 1.41 2wzaA1 ALA 1170 H -0.08 0.48 -0.41 -0.55 8.40 7.84 2wzaA1 ALA 1170 HA -0.24 0.14 0.74 -0.75 4.34 4.22 2wzaA1 ALA 1170 HB3 -0.65 -0.00 0.06 -0.04 1.41 0.78 2wzaA1 PRO 1171 HA -0.02 0.09 0.46 -0.51 4.44 4.46 2wzaA1 PRO 1171 HB2 -0.02 -0.23 0.06 -0.04 2.28 2.05 2wzaA1 PRO 1171 HB3 0.02 0.06 0.14 -0.04 2.02 2.20 2wzaA1 PRO 1171 HG2 0.12 0.06 0.09 -0.04 2.03 2.25 2wzaA1 PRO 1171 HG3 0.09 0.10 0.12 -0.04 2.03 2.30 2wzaA1 PRO 1171 HD2 -0.33 0.08 0.20 -0.04 3.68 3.60 2wzaA1 PRO 1171 HD3 0.12 0.24 0.23 -0.04 3.65 4.20 2wzaA1 LYS 1172 H -0.03 0.19 0.20 -0.55 8.42 8.23 2wzaA1 LYS 1172 HA -0.05 0.14 0.48 -0.75 4.32 4.14 2wzaA1 LYS 1172 HB2 -0.03 0.09 0.14 -0.04 1.87 2.02 2wzaA1 LYS 1172 HB3 -0.02 -0.01 0.11 -0.04 1.79 1.82 2wzaA1 LYS 1172 HG2 -0.03 0.02 -0.09 -0.04 1.46 1.32 2wzaA1 LYS 1172 HG3 -0.04 -0.07 0.09 -0.04 1.46 1.40 2wzaA1 LYS 1172 HD2 -0.03 0.02 0.00 -0.04 1.69 1.64 2wzaA1 LYS 1172 HD3 -0.03 0.03 0.03 -0.04 1.68 1.67 2wzaA1 LYS 1172 HE2 -0.02 -0.01 0.00 -0.04 2.99 2.93 2wzaA1 LYS 1172 HE3 -0.02 0.00 -0.02 -0.04 2.99 2.92 2wzaA1 LYS 1173 H -0.02 0.06 -0.23 -0.55 8.42 7.68 2wzaA1 LYS 1173 HA -0.03 0.11 0.41 -0.75 4.32 4.05 2wzaA1 LYS 1173 HB2 0.00 -0.05 0.07 -0.04 1.87 1.84 2wzaA1 LYS 1173 HB3 -0.00 0.05 -0.11 -0.04 1.79 1.69 2wzaA1 LYS 1173 HG2 0.03 0.04 -0.03 -0.04 1.46 1.46 2wzaA1 LYS 1173 HG3 0.00 0.05 0.00 -0.04 1.46 1.47 2wzaA1 LYS 1173 HD2 -0.00 -0.00 -0.01 -0.04 1.69 1.63 2wzaA1 LYS 1173 HD3 0.01 -0.04 0.01 -0.04 1.68 1.61 2wzaA1 LYS 1173 HE2 0.03 0.03 -0.01 -0.04 2.99 3.00 2wzaA1 LYS 1173 HE3 0.02 0.04 -0.01 -0.04 2.99 3.00 2wzaA1 VAL 1174 H -0.07 0.14 -0.35 -0.55 8.24 7.41 2wzaA1 VAL 1174 HA -0.15 0.09 0.47 -0.75 4.13 3.79 2wzaA1 VAL 1174 HB -0.18 0.14 0.05 -0.04 2.12 2.09 2wzaA1 VAL 1174 HG13 -0.10 0.00 -0.17 -0.04 0.97 0.66 2wzaA1 VAL 1174 HG23 0.01 -0.01 -0.04 -0.04 0.95 0.86 2wzaA1 GLN 1175 H -0.10 0.48 -0.12 -0.55 8.47 8.17 2wzaA1 GLN 1175 HA -0.13 0.01 0.26 -0.75 4.36 3.76 2wzaA1 GLN 1175 HB2 -0.07 -0.00 0.10 -0.04 2.15 2.13 2wzaA1 GLN 1175 HB3 -0.08 -0.04 -0.00 -0.04 2.02 1.86 2wzaA1 GLN 1175 HG2 -0.09 -0.08 -0.04 -0.04 2.40 2.15 2wzaA1 GLN 1175 HG3 -0.10 0.22 -0.14 -0.04 2.39 2.33 2wzaA1 GLN 1175 HE21 -0.04 -0.05 0.03 -0.04 6.97 6.87 2wzaA1 GLN 1175 HE22 -0.07 0.71 -0.01 -0.04 7.69 8.29 2wzaA1 ASP 1176 H -0.08 0.69 -0.19 -0.55 8.40 8.26 2wzaA1 ASP 1176 HA -0.08 0.01 0.43 -0.75 4.63 4.24 2wzaA1 ASP 1176 HB2 -0.06 0.07 0.12 -0.04 2.71 2.80 2wzaA1 ASP 1176 HB3 -0.05 -0.02 -0.05 -0.04 2.70 2.54 2wzaA1 LEU 1177 H -0.12 0.48 -0.21 -0.55 8.37 7.96 2wzaA1 LEU 1177 HA -0.12 0.04 0.44 -0.75 4.35 3.95 2wzaA1 LEU 1177 HB2 -0.25 0.01 0.11 -0.04 1.64 1.46 2wzaA1 LEU 1177 HB3 -0.24 0.14 0.22 -0.04 1.64 1.71 2wzaA1 LEU 1177 HG -0.27 0.00 -0.47 -0.04 1.64 0.86 2wzaA1 LEU 1177 HD13 -0.18 0.00 -0.05 -0.04 0.93 0.67 2wzaA1 LEU 1177 HD23 -0.92 -0.03 -0.10 -0.04 0.89 -0.20 2wzaA1 LEU 1178 H -0.17 0.51 -0.23 -0.55 8.37 7.93 2wzaA1 LEU 1178 HA -0.21 0.01 0.28 -0.75 4.35 3.67 2wzaA1 LEU 1178 HB2 -0.20 0.10 0.10 -0.04 1.64 1.59 2wzaA1 LEU 1178 HB3 -0.24 0.15 -0.06 -0.04 1.64 1.45 2wzaA1 LEU 1178 HG -0.34 -0.02 -0.11 -0.04 1.64 1.13 2wzaA1 LEU 1178 HD13 -0.21 0.02 -0.14 -0.04 0.93 0.57 2wzaA1 LEU 1178 HD23 -0.45 -0.02 -0.14 -0.04 0.89 0.24 2wzaA1 LYS 1179 H -0.13 0.50 -0.09 -0.55 8.42 8.14 2wzaA1 LYS 1179 HA -0.12 0.01 0.39 -0.75 4.32 3.85 2wzaA1 LYS 1179 HB2 -0.09 0.14 0.16 -0.04 1.87 2.04 2wzaA1 LYS 1179 HB3 -0.08 0.05 0.08 -0.04 1.79 1.80 2wzaA1 LYS 1179 HG2 -0.06 -0.01 -0.04 -0.04 1.46 1.31 2wzaA1 LYS 1179 HG3 -0.08 -0.02 0.06 -0.04 1.46 1.38 2wzaA1 LYS 1179 HD2 -0.07 -0.01 -0.01 -0.04 1.69 1.55 2wzaA1 LYS 1179 HD3 -0.06 -0.02 -0.03 -0.04 1.68 1.53 2wzaA1 LYS 1179 HE2 -0.05 0.01 -0.02 -0.04 2.99 2.89 2wzaA1 LYS 1179 HE3 -0.05 -0.01 -0.02 -0.04 2.99 2.87 2wzaA1 LYS 1180 H -0.10 0.56 -0.29 -0.55 8.42 8.04 2wzaA1 LYS 1180 HA -0.06 -0.01 0.41 -0.75 4.32 3.91 2wzaA1 LYS 1180 HB2 -0.06 -0.04 0.11 -0.04 1.87 1.84 2wzaA1 LYS 1180 HB3 -0.07 0.14 0.12 -0.04 1.79 1.94 2wzaA1 LYS 1180 HG2 -0.03 -0.06 0.01 -0.04 1.46 1.34 2wzaA1 LYS 1180 HG3 -0.04 0.10 -0.06 -0.04 1.46 1.42 2wzaA1 LYS 1180 HD2 -0.04 0.01 0.11 -0.04 1.69 1.73 2wzaA1 LYS 1180 HD3 -0.03 -0.06 0.03 -0.04 1.68 1.57 2wzaA1 LYS 1180 HE2 -0.02 0.04 0.03 -0.04 2.99 3.00 2wzaA1 LYS 1180 HE3 -0.02 -0.05 0.02 -0.04 2.99 2.90 2wzaA1 ALA 1181 H -0.12 0.34 -0.23 -0.55 8.40 7.84 2wzaA1 ALA 1181 HA -0.10 0.15 0.69 -0.75 4.34 4.33 2wzaA1 ALA 1181 HB3 -0.14 -0.03 -0.01 -0.04 1.41 1.19 2wzaA1 ASN 1182 H -0.11 0.27 -0.72 -0.55 8.53 7.42 2wzaA1 ASN 1182 HA -0.11 0.07 0.26 -0.75 4.76 4.22 2wzaA1 ASN 1182 HB2 -0.08 0.02 -0.06 -0.04 2.88 2.73 2wzaA1 ASN 1182 HB3 -0.09 0.10 0.16 -0.04 2.79 2.92 2wzaA1 ASN 1182 HD21 -0.04 -0.07 0.04 -0.04 7.03 6.92 2wzaA1 ASN 1182 HD22 -0.05 0.03 0.07 -0.04 7.74 7.74 2wzaA1 ILE 1183 H -0.22 0.59 -0.14 -0.55 8.25 7.93 2wzaA1 ILE 1183 HA -0.35 0.17 0.84 -0.75 4.18 4.09 2wzaA1 ILE 1183 HB -0.40 -0.05 -0.01 -0.04 1.89 1.39 2wzaA1 ILE 1183 HG12 -0.60 0.01 -0.19 -0.04 1.49 0.67 2wzaA1 ILE 1183 HG13 -0.28 0.16 -0.42 -0.04 1.21 0.62 2wzaA1 ILE 1183 HG23 -1.11 -0.03 -0.34 -0.04 0.93 -0.59 2wzaA1 ILE 1183 HD13 -0.29 -0.03 -0.18 -0.04 0.88 0.34 2wzaA1 THR 1184 H -0.22 0.21 0.07 -0.55 8.28 7.79 2wzaA1 THR 1184 HA -0.20 0.15 0.90 -0.75 4.39 4.48 2wzaA1 THR 1184 HB -0.10 0.00 0.01 -0.04 4.32 4.19 2wzaA1 THR 1184 HG23 -0.10 0.03 -0.14 -0.04 1.22 0.97 2wzaA1 VAL 1185 H -0.21 0.16 0.09 -0.55 8.24 7.72 2wzaA1 VAL 1185 HA -0.09 0.23 0.87 -0.75 4.13 4.39 2wzaA1 VAL 1185 HB -0.17 0.07 -0.12 -0.04 2.12 1.85 2wzaA1 VAL 1185 HG13 -0.55 0.01 -0.31 -0.04 0.97 0.08 2wzaA1 VAL 1185 HG23 -0.44 -0.01 -0.24 -0.04 0.95 0.22 2wzaA1 LYS 1186 H -0.01 0.25 0.02 -0.55 8.42 8.13 2wzaA1 LYS 1186 HA -0.02 0.10 0.85 -0.75 4.32 4.50 2wzaA1 LYS 1186 HB2 -0.00 0.02 -0.04 -0.04 1.87 1.80 2wzaA1 LYS 1186 HB3 -0.00 0.04 0.13 -0.04 1.79 1.92 2wzaA1 LYS 1186 HG2 -0.00 -0.02 -0.10 -0.04 1.46 1.29 2wzaA1 LYS 1186 HG3 -0.00 0.00 0.01 -0.04 1.46 1.43 2wzaA1 LYS 1186 HD2 0.01 0.02 -0.03 -0.04 1.69 1.65 2wzaA1 LYS 1186 HD3 0.01 -0.00 -0.02 -0.04 1.68 1.63 2wzaA1 LYS 1186 HE2 0.02 0.01 -0.01 -0.04 2.99 2.97 2wzaA1 LYS 1186 HE3 0.02 -0.03 -0.02 -0.04 2.99 2.92 2wzaA1 GLY 1187 H 0.01 0.08 0.12 -0.55 8.43 8.10 2wzaA1 GLY 1187 HA2 0.03 -0.04 0.41 -0.51 4.01 3.90 2wzaA1 GLY 1187 HA3 -0.01 -0.00 0.49 -0.51 4.01 3.99 2wzaA1 ALA 1188 H -0.07 -0.02 0.29 -0.55 8.40 8.06 2wzaA1 ALA 1188 HA 0.06 0.11 0.39 -0.75 4.34 4.14 2wzaA1 ALA 1188 HB3 -0.12 -0.04 0.18 -0.04 1.41 1.39 2wzaA1 PHE 1189 H -0.17 0.52 0.38 -0.55 8.34 8.52 2wzaA1 PHE 1189 HA 0.19 0.06 0.87 -0.75 4.62 5.00 2wzaA1 PHE 1189 HB2 0.14 0.04 -0.05 -0.04 3.15 3.24 2wzaA1 PHE 1189 HB3 0.05 0.06 -0.21 -0.04 3.06 2.91 2wzaA1 PHE 1189 HD2 0.08 0.17 -0.38 -0.04 7.28 7.11 2wzaA1 PHE 1189 HE2 0.02 -0.07 -0.37 -0.04 7.38 6.91 2wzaA1 PHE 1189 HZ -0.25 -0.02 -0.17 -0.04 7.32 6.85 2wzaA1 GLN 1190 H 0.42 0.67 0.40 -0.55 8.47 9.42 2wzaA1 GLN 1190 HA -0.03 0.20 0.99 -0.75 4.36 4.76 2wzaA1 GLN 1190 HB2 0.23 -0.02 0.17 -0.04 2.15 2.50 2wzaA1 GLN 1190 HB3 -0.14 0.01 -0.11 -0.04 2.02 1.75 2wzaA1 GLN 1190 HG2 -0.18 -0.01 -0.10 -0.04 2.40 2.06 2wzaA1 GLN 1190 HG3 -0.07 -0.03 -0.13 -0.04 2.39 2.12 2wzaA1 GLN 1190 HE21 -0.03 0.04 -0.11 -0.04 6.97 6.83 2wzaA1 GLN 1190 HE22 -0.17 -0.02 -0.11 -0.04 7.69 7.35 2wzaA1 LEU 1191 H -0.01 0.69 0.26 -0.55 8.37 8.76 2wzaA1 LEU 1191 HA 0.32 0.23 0.87 -0.75 4.35 5.02 2wzaA1 LEU 1191 HB2 0.44 -0.01 -0.04 -0.04 1.64 1.99 2wzaA1 LEU 1191 HB3 0.30 -0.01 0.15 -0.04 1.64 2.03 2wzaA1 LEU 1191 HG 0.31 0.00 -0.35 -0.04 1.64 1.56 2wzaA1 LEU 1191 HD13 0.22 0.02 -0.08 -0.04 0.93 1.05 2wzaA1 LEU 1191 HD23 0.19 -0.02 -0.09 -0.04 0.89 0.93 2wzaA1 PHE 1192 H 0.58 0.72 0.27 -0.55 8.34 9.36 2wzaA1 PHE 1192 HA 0.13 0.31 1.02 -0.75 4.62 5.33 2wzaA1 PHE 1192 HB2 0.13 -0.09 0.13 -0.04 3.15 3.28 2wzaA1 PHE 1192 HB3 0.20 0.01 -0.03 -0.04 3.06 3.21 2wzaA1 PHE 1192 HD2 0.11 0.13 -0.13 -0.04 7.28 7.34 2wzaA1 PHE 1192 HE2 0.04 0.01 -0.21 -0.04 7.38 7.18 2wzaA1 PHE 1192 HZ 0.00 0.03 -0.18 -0.04 7.32 7.13 2wzaA1 SER 1193 H 0.22 0.62 0.30 -0.55 8.46 9.06 2wzaA1 SER 1193 HA 0.14 0.21 1.01 -0.75 4.49 5.10 2wzaA1 SER 1193 HB2 0.14 -0.06 -0.03 -0.04 3.95 3.96 2wzaA1 SER 1193 HB3 0.09 0.04 -0.28 -0.04 3.93 3.74 2wzaA1 ALA 1194 H -0.27 0.66 0.31 -0.55 8.40 8.55 2wzaA1 ALA 1194 HA -0.15 0.17 0.90 -0.75 4.34 4.52 2wzaA1 ALA 1194 HB3 -0.53 -0.04 0.10 -0.04 1.41 0.90 2wzaA1 ASP 1195 H 0.03 0.75 0.32 -0.55 8.40 8.96 2wzaA1 ASP 1195 HA 0.04 0.04 0.37 -0.75 4.63 4.33 2wzaA1 ASP 1195 HB2 0.06 -0.04 0.13 -0.04 2.71 2.81 2wzaA1 ASP 1195 HB3 0.05 -0.01 0.02 -0.04 2.70 2.72 2wzaA1 ASN 1196 H 0.08 0.15 -0.11 -0.55 8.53 8.11 2wzaA1 ASN 1196 HA 0.07 0.33 0.96 -0.75 4.76 5.36 2wzaA1 ASN 1196 HB2 0.06 0.09 -0.03 -0.04 2.88 2.96 2wzaA1 ASN 1196 HB3 0.08 -0.06 0.19 -0.04 2.79 2.96 2wzaA1 ASN 1196 HD21 0.04 0.02 0.02 -0.04 7.03 7.08 2wzaA1 ASN 1196 HD22 0.05 0.07 0.02 -0.04 7.74 7.84 2wzaA1 PRO 1197 HA 0.36 0.02 0.34 -0.51 4.44 4.65 2wzaA1 PRO 1197 HB2 0.14 0.02 -0.03 -0.04 2.28 2.37 2wzaA1 PRO 1197 HB3 0.14 0.08 0.18 -0.04 2.02 2.38 2wzaA1 PRO 1197 HG2 0.05 0.10 0.09 -0.04 2.03 2.23 2wzaA1 PRO 1197 HG3 0.01 0.10 0.10 -0.04 2.03 2.19 2wzaA1 PRO 1197 HD2 0.07 0.06 0.18 -0.04 3.68 3.95 2wzaA1 PRO 1197 HD3 0.05 0.42 -0.13 -0.04 3.65 3.95 2wzaA1 GLU 1198 H 0.13 0.14 -0.24 -0.55 8.60 8.08 2wzaA1 GLU 1198 HA 0.18 0.11 0.56 -0.75 4.29 4.39 2wzaA1 GLU 1198 HB2 0.08 0.05 0.06 -0.04 2.09 2.24 2wzaA1 GLU 1198 HB3 0.08 -0.01 0.07 -0.04 1.99 2.09 2wzaA1 GLU 1198 HG2 0.07 0.01 -0.35 -0.04 2.34 2.03 2wzaA1 GLU 1198 HG3 0.08 0.01 -0.11 -0.04 2.34 2.27 2wzaA1 GLU 1199 H 0.10 0.15 -0.09 -0.55 8.60 8.22 2wzaA1 GLU 1199 HA 0.02 0.10 0.52 -0.75 4.29 4.17 2wzaA1 GLU 1199 HB2 0.07 0.04 0.10 -0.04 2.09 2.26 2wzaA1 GLU 1199 HB3 0.00 0.04 0.03 -0.04 1.99 2.02 2wzaA1 GLU 1199 HG2 0.03 0.02 -0.01 -0.04 2.34 2.34 2wzaA1 GLU 1199 HG3 0.05 -0.06 0.05 -0.04 2.34 2.34 2wzaA1 PHE 1200 H 0.20 0.63 -0.03 -0.55 8.34 8.59 2wzaA1 PHE 1200 HA -0.03 0.08 0.49 -0.75 4.62 4.40 2wzaA1 PHE 1200 HB2 -0.02 -0.00 0.02 -0.04 3.15 3.11 2wzaA1 PHE 1200 HB3 -0.10 0.05 0.08 -0.04 3.06 3.04 2wzaA1 PHE 1200 HD2 -0.66 0.03 -0.13 -0.04 7.28 6.48 2wzaA1 PHE 1200 HE2 -0.71 0.02 -0.15 -0.04 7.38 6.50 2wzaA1 PHE 1200 HZ -1.81 0.02 -0.17 -0.04 7.32 5.32 2wzaA1 TYR 1201 H 0.16 0.62 -0.13 -0.55 8.29 8.38 2wzaA1 TYR 1201 HA -0.43 -0.07 0.40 -0.75 4.56 3.71 2wzaA1 TYR 1201 HB2 0.14 0.09 0.18 -0.04 3.06 3.43 2wzaA1 TYR 1201 HB3 0.05 0.13 0.21 -0.04 2.98 3.34 2wzaA1 TYR 1201 HD2 0.10 0.02 -0.05 -0.04 7.15 7.17 2wzaA1 TYR 1201 HE2 0.17 0.04 -0.07 -0.04 6.85 6.94 2wzaA1 LYS 1202 H 0.03 0.47 -0.18 -0.55 8.42 8.19 2wzaA1 LYS 1202 HA -0.19 0.01 0.32 -0.75 4.32 3.70 2wzaA1 LYS 1202 HB2 -0.08 0.05 0.13 -0.04 1.87 1.93 2wzaA1 LYS 1202 HB3 -0.07 -0.02 0.03 -0.04 1.79 1.69 2wzaA1 LYS 1202 HG2 0.13 -0.05 0.05 -0.04 1.46 1.55 2wzaA1 LYS 1202 HG3 0.12 0.48 0.19 -0.04 1.46 2.20 2wzaA1 LYS 1202 HD2 0.02 -0.05 -0.04 -0.04 1.69 1.58 2wzaA1 LYS 1202 HD3 0.01 -0.00 -0.00 -0.04 1.68 1.65 2wzaA1 LYS 1202 HE2 0.06 -0.00 -0.01 -0.04 2.99 3.00 2wzaA1 LYS 1202 HE3 0.09 -0.00 -0.03 -0.04 2.99 3.01 2wzaA1 GLN 1203 H -0.33 0.42 -0.32 -0.55 8.47 7.69 2wzaA1 GLN 1203 HA -0.39 0.08 0.37 -0.75 4.36 3.67 2wzaA1 GLN 1203 HB2 -0.38 0.27 0.18 -0.04 2.15 2.18 2wzaA1 GLN 1203 HB3 -1.13 -0.03 0.06 -0.04 2.02 0.88 2wzaA1 GLN 1203 HG2 -0.46 0.01 0.05 -0.04 2.40 1.96 2wzaA1 GLN 1203 HG3 -0.28 -0.05 0.00 -0.04 2.39 2.02 2wzaA1 GLN 1203 HE21 -0.15 -0.02 -0.00 -0.04 6.97 6.76 2wzaA1 GLN 1203 HE22 -0.31 0.00 -0.01 -0.04 7.69 7.34 2wzaA1 TYR 1204 H -0.63 0.62 0.10 -0.55 8.29 7.83 2wzaA1 TYR 1204 HA -0.35 0.21 0.97 -0.75 4.56 4.63 2wzaA1 TYR 1204 HB2 -1.33 -0.02 0.03 -0.04 3.06 1.69 2wzaA1 TYR 1204 HB3 -0.61 0.14 -0.00 -0.04 2.98 2.46 2wzaA1 TYR 1204 HD2 -0.71 0.00 -0.02 -0.04 7.15 6.39 2wzaA1 TYR 1204 HE2 -0.12 0.02 -0.05 -0.04 6.85 6.65 2wzaA1 VAL 1205 H -0.56 0.28 0.12 -0.55 8.24 7.53 2wzaA1 VAL 1205 HA -0.14 0.07 0.37 -0.75 4.13 3.67 2wzaA1 VAL 1205 HB -0.52 0.02 0.21 -0.04 2.12 1.79 2wzaA1 VAL 1205 HG13 0.04 0.02 -0.13 -0.04 0.97 0.86 2wzaA1 VAL 1205 HG23 -0.73 0.00 -0.09 -0.04 0.95 0.09 2wzaA1 ALA 1206 H -0.79 0.63 0.12 -0.55 8.40 7.82 2wzaA1 ALA 1206 HA -0.25 0.13 0.40 -0.75 4.34 3.87 2wzaA1 ALA 1206 HB3 -0.49 0.02 0.05 -0.04 1.41 0.96 2wzaA1 THR 1207 H -0.25 0.08 -0.85 -0.55 8.28 6.71 2wzaA1 THR 1207 HA -0.10 0.09 0.55 -0.75 4.39 4.18 2wzaA1 THR 1207 HB -0.11 -0.07 0.05 -0.04 4.32 4.16 2wzaA1 THR 1207 HG23 -0.18 0.02 -0.04 -0.04 1.22 0.98 2wzaA1 GLY 1208 H -0.09 0.38 -0.40 -0.55 8.43 7.76 2wzaA1 GLY 1208 HA2 0.01 0.20 0.15 -0.51 4.01 3.85 2wzaA1 GLY 1208 HA3 -0.02 0.03 0.31 -0.51 4.01 3.82 2wzaA1 THR 1209 H -0.08 0.71 -0.01 -0.55 8.28 8.35 2wzaA1 THR 1209 HA -0.03 0.13 0.83 -0.75 4.39 4.57 2wzaA1 THR 1209 HB 0.06 -0.04 0.22 -0.04 4.32 4.51 2wzaA1 THR 1209 HG23 0.03 -0.00 -0.03 -0.04 1.22 1.17 2wzaA1 SER 1210 H -0.02 0.18 0.12 -0.55 8.46 8.19 2wzaA1 SER 1210 HA -0.00 0.09 0.53 -0.75 4.49 4.35 2wzaA1 SER 1210 HB2 0.01 -0.00 0.14 -0.04 3.95 4.06 2wzaA1 SER 1210 HB3 0.06 0.19 0.17 -0.04 3.93 4.30 2wzaA1 LEU 1211 H 0.10 0.40 0.37 -0.55 8.37 8.69 2wzaA1 LEU 1211 HA -0.05 0.15 1.09 -0.75 4.35 4.78 2wzaA1 LEU 1211 HB2 0.14 -0.11 -0.02 -0.04 1.64 1.60 2wzaA1 LEU 1211 HB3 -0.07 0.20 0.05 -0.04 1.64 1.78 2wzaA1 LEU 1211 HG -0.29 -0.00 -0.14 -0.04 1.64 1.17 2wzaA1 LEU 1211 HD13 -0.48 -0.02 -0.15 -0.04 0.93 0.24 2wzaA1 LEU 1211 HD23 -0.49 0.03 -0.25 -0.04 0.89 0.14 2wzaA1 VAL 1212 H -0.03 0.93 0.27 -0.55 8.24 8.86 2wzaA1 VAL 1212 HA -0.03 0.28 0.99 -0.75 4.13 4.62 2wzaA1 VAL 1212 HB -0.02 0.00 -0.02 -0.04 2.12 2.05 2wzaA1 VAL 1212 HG13 -0.01 0.00 -0.20 -0.04 0.97 0.72 2wzaA1 VAL 1212 HG23 -0.00 -0.02 -0.31 -0.04 0.95 0.57 2wzaA1 ILE 1213 H -0.16 0.85 0.31 -0.55 8.25 8.70 2wzaA1 ILE 1213 HA -0.10 0.32 1.11 -0.75 4.18 4.74 2wzaA1 ILE 1213 HB -0.47 -0.09 0.10 -0.04 1.89 1.39 2wzaA1 ILE 1213 HG12 -0.29 0.03 -0.11 -0.04 1.49 1.08 2wzaA1 ILE 1213 HG13 -0.31 -0.05 -0.27 -0.04 1.21 0.54 2wzaA1 ILE 1213 HG23 -0.51 0.00 -0.28 -0.04 0.93 0.10 2wzaA1 ILE 1213 HD13 -1.20 -0.01 -0.17 -0.04 0.88 -0.55 2wzaA1 THR 1214 H 0.00 0.63 0.32 -0.55 8.28 8.68 2wzaA1 THR 1214 HA 0.05 0.25 0.93 -0.75 4.39 4.86 2wzaA1 THR 1214 HB 0.05 -0.03 0.24 -0.04 4.32 4.53 2wzaA1 THR 1214 HG23 0.10 0.01 -0.09 -0.04 1.22 1.19 2wzaA1 ASP 1215 H 0.10 0.65 0.04 -0.55 8.40 8.65 2wzaA1 ASP 1215 HA 0.10 0.13 0.76 -0.75 4.63 4.87 2wzaA1 ASP 1215 HB2 0.08 -0.00 -0.37 -0.04 2.71 2.38 2wzaA1 ASP 1215 HB3 0.16 -0.05 0.04 -0.04 2.70 2.80 2wzaA1 PRO 1216 HA -0.19 0.26 0.59 -0.51 4.44 4.60 2wzaA1 PRO 1216 HB2 -0.13 -0.04 -0.03 -0.04 2.28 2.04 2wzaA1 PRO 1216 HB3 -0.48 -0.01 -0.07 -0.04 2.02 1.42 2wzaA1 PRO 1216 HG2 0.10 0.07 -0.07 -0.04 2.03 2.09 2wzaA1 PRO 1216 HG3 0.20 0.03 -0.06 -0.04 2.03 2.15 2wzaA1 PRO 1216 HD2 0.03 0.05 -0.26 -0.04 3.68 3.46 2wzaA1 PRO 1216 HD3 0.08 0.12 -0.55 -0.04 3.65 3.26 2wzaA1 MET 1217 H -0.27 0.53 0.34 -0.55 8.47 8.52 2wzaA1 MET 1217 HA -0.12 0.15 0.83 -0.75 4.52 4.62 2wzaA1 MET 1217 HB2 0.03 -0.04 -0.01 -0.04 2.15 2.09 2wzaA1 MET 1217 HB3 -0.05 -0.04 -0.29 -0.04 2.03 1.60 2wzaA1 MET 1217 HG2 -0.07 -0.01 -0.28 -0.04 2.63 2.22 2wzaA1 MET 1217 HG3 0.15 0.28 -0.32 -0.04 2.56 2.62 2wzaA1 MET 1217 HE3 -0.05 0.01 -0.12 -0.04 2.10 1.90 2wzaA1 THR 1218 H -0.13 0.72 0.25 -0.55 8.28 8.58 2wzaA1 THR 1218 HA -0.17 0.12 0.60 -0.75 4.39 4.19 2wzaA1 THR 1218 HB -0.09 0.00 0.12 -0.04 4.32 4.30 2wzaA1 THR 1218 HG23 -0.07 0.07 -0.23 -0.04 1.22 0.95 2wzaA1 VAL 1219 H -0.13 0.68 0.28 -0.55 8.24 8.53 2wzaA1 VAL 1219 HA -0.29 0.15 0.49 -0.75 4.13 3.73 2wzaA1 VAL 1219 HB -0.04 -0.17 0.11 -0.04 2.12 1.98 2wzaA1 VAL 1219 HG13 -0.10 0.04 -0.10 -0.04 0.97 0.77 2wzaA1 VAL 1219 HG23 -0.12 0.05 -0.11 -0.04 0.95 0.72 2wzaA1 LYS 1220 H -0.17 0.47 0.32 -0.55 8.42 8.48 2wzaA1 LYS 1220 HA -0.02 0.10 0.77 -0.75 4.32 4.41 2wzaA1 LYS 1220 HB2 0.09 0.04 0.23 -0.04 1.87 2.19 2wzaA1 LYS 1220 HB3 0.05 -0.12 0.08 -0.04 1.79 1.76 2wzaA1 LYS 1220 HG2 -0.01 -0.05 -0.07 -0.04 1.46 1.29 2wzaA1 LYS 1220 HG3 -0.07 0.12 -0.15 -0.04 1.46 1.32 2wzaA1 LYS 1220 HD2 0.04 0.10 -0.17 -0.04 1.69 1.61 2wzaA1 LYS 1220 HD3 0.06 -0.08 -0.07 -0.04 1.68 1.55 2wzaA1 LYS 1220 HE2 -0.02 -0.04 -0.63 -0.04 2.99 2.27 2wzaA1 LYS 1220 HE3 0.02 0.19 -0.30 -0.04 2.99 2.86 2wzaA1 SER 1221 H -0.01 0.24 0.20 -0.55 8.46 8.35 2wzaA1 SER 1221 HA 0.01 0.03 0.33 -0.75 4.49 4.10 2wzaA1 SER 1221 HB2 -0.04 -0.03 0.15 -0.04 3.95 3.98 2wzaA1 SER 1221 HB3 -0.10 0.05 0.02 -0.04 3.93 3.87 2wzaA1 GLU 1222 H 0.03 0.10 -0.15 -0.55 8.60 8.02 2wzaA1 GLU 1222 HA 0.00 0.09 0.44 -0.75 4.29 4.07 2wzaA1 GLU 1222 HB2 0.01 0.04 0.05 -0.04 2.09 2.16 2wzaA1 GLU 1222 HB3 0.01 -0.00 0.11 -0.04 1.99 2.07 2wzaA1 GLU 1222 HG2 0.13 -0.03 -0.01 -0.04 2.34 2.38 2wzaA1 GLU 1222 HG3 0.06 0.07 -0.03 -0.04 2.34 2.40 2wzaA1 PHE 1223 H 0.22 0.36 -0.26 -0.55 8.34 8.11 2wzaA1 PHE 1223 HA 0.03 0.04 0.38 -0.75 4.62 4.32 2wzaA1 PHE 1223 HB2 0.01 0.02 0.29 -0.04 3.15 3.43 2wzaA1 PHE 1223 HB3 0.05 -0.02 0.04 -0.04 3.06 3.08 2wzaA1 PHE 1223 HD2 0.06 -0.04 0.01 -0.04 7.28 7.27 2wzaA1 PHE 1223 HE2 0.10 0.07 -0.22 -0.04 7.38 7.29 2wzaA1 PHE 1223 HZ 0.11 0.01 -0.13 -0.04 7.32 7.27 2wzaA1 GLY 1224 H 0.18 0.42 -0.52 -0.55 8.43 7.96 2wzaA1 GLY 1224 HA2 0.22 0.11 0.35 -0.51 4.01 4.19 2wzaA1 GLY 1224 HA3 0.35 0.02 0.36 -0.51 4.01 4.23 2wzaA1 LYS 1225 H 0.11 0.48 -0.05 -0.55 8.42 8.40 2wzaA1 LYS 1225 HA 0.14 0.11 0.64 -0.75 4.32 4.45 2wzaA1 LYS 1225 HB2 0.01 0.01 0.08 -0.04 1.87 1.93 2wzaA1 LYS 1225 HB3 0.04 -0.03 0.14 -0.04 1.79 1.90 2wzaA1 LYS 1225 HG2 0.04 0.14 0.27 -0.04 1.46 1.87 2wzaA1 LYS 1225 HG3 0.01 -0.08 0.13 -0.04 1.46 1.47 2wzaA1 LYS 1225 HD2 0.03 -0.05 0.11 -0.04 1.69 1.74 2wzaA1 LYS 1225 HD3 0.21 0.07 0.08 -0.04 1.68 2.00 2wzaA1 LYS 1225 HE2 -0.26 0.01 -0.00 -0.04 2.99 2.69 2wzaA1 LYS 1225 HE3 -0.09 -0.07 0.03 -0.04 2.99 2.82 2wzaA1 THR 1226 H -0.03 0.25 -0.13 -0.55 8.28 7.82 2wzaA1 THR 1226 HA -0.05 0.07 0.73 -0.75 4.39 4.39 2wzaA1 THR 1226 HB -0.22 0.06 -0.01 -0.04 4.32 4.11 2wzaA1 THR 1226 HG23 -0.10 -0.04 -0.00 -0.04 1.22 1.03 2wzaA1 GLY 1227 H -0.02 0.70 0.23 -0.55 8.43 8.79 2wzaA1 GLY 1227 HA2 0.14 0.06 -0.00 -0.51 4.01 3.70 2wzaA1 GLY 1227 HA3 0.04 -0.01 0.70 -0.51 4.01 4.23 2wzaA1 GLY 1228 H 0.12 0.21 0.18 -0.55 8.43 8.40 2wzaA1 GLY 1228 HA2 0.09 -0.05 0.36 -0.51 4.01 3.90 2wzaA1 GLY 1228 HA3 0.11 0.24 0.85 -0.51 4.01 4.70 2wzaA1 LYS 1229 H 0.13 0.09 0.19 -0.55 8.42 8.28 2wzaA1 LYS 1229 HA 0.04 0.20 0.73 -0.75 4.32 4.53 2wzaA1 LYS 1229 HB2 0.08 -0.05 0.13 -0.04 1.87 1.98 2wzaA1 LYS 1229 HB3 0.02 0.06 0.04 -0.04 1.79 1.88 2wzaA1 LYS 1229 HG2 0.05 -0.09 0.03 -0.04 1.46 1.41 2wzaA1 LYS 1229 HG3 0.04 -0.02 0.04 -0.04 1.46 1.48 2wzaA1 LYS 1229 HD2 0.00 -0.02 -0.03 -0.04 1.69 1.60 2wzaA1 LYS 1229 HD3 -0.02 0.13 -0.07 -0.04 1.68 1.68 2wzaA1 LYS 1229 HE2 0.01 -0.03 -0.03 -0.04 2.99 2.90 2wzaA1 LYS 1229 HE3 0.00 0.01 -0.06 -0.04 2.99 2.89 2wzaA1 TYR 1230 H -0.32 0.59 0.37 -0.55 8.29 8.38 2wzaA1 TYR 1230 HA 0.06 0.12 0.24 -0.75 4.56 4.23 2wzaA1 TYR 1230 HB2 0.01 -0.03 0.15 -0.04 3.06 3.14 2wzaA1 TYR 1230 HB3 -0.06 0.07 0.10 -0.04 2.98 3.05 2wzaA1 TYR 1230 HD2 -0.02 0.06 -0.27 -0.04 7.15 6.88 2wzaA1 TYR 1230 HE2 0.02 0.01 -0.21 -0.04 6.85 6.63 2wzaA1 GLU 1231 H 0.18 0.24 0.20 -0.55 8.60 8.68 2wzaA1 GLU 1231 HA 0.06 0.30 0.93 -0.75 4.29 4.82 2wzaA1 GLU 1231 HB2 0.02 0.04 -0.05 -0.04 2.09 2.05 2wzaA1 GLU 1231 HB3 0.02 -0.01 -0.19 -0.04 1.99 1.76 2wzaA1 GLU 1231 HG2 0.06 -0.07 -0.01 -0.04 2.34 2.27 2wzaA1 GLU 1231 HG3 0.03 0.04 -0.28 -0.04 2.34 2.08 2wzaA1 ASN 1232 H 0.02 0.60 0.34 -0.55 8.53 8.94 2wzaA1 ASN 1232 HA -0.01 0.27 0.98 -0.75 4.76 5.24 2wzaA1 ASN 1232 HB2 -0.13 -0.02 -0.11 -0.04 2.88 2.58 2wzaA1 ASN 1232 HB3 -0.41 -0.03 0.02 -0.04 2.79 2.33 2wzaA1 LYS 1233 H -0.04 0.42 0.15 -0.55 8.42 8.39 2wzaA1 LYS 1233 HA -0.14 0.21 0.88 -0.75 4.32 4.52 2wzaA1 LYS 1233 HB2 -0.06 -0.03 -0.05 -0.04 1.87 1.69 2wzaA1 LYS 1233 HB3 -0.17 0.07 0.02 -0.04 1.79 1.67 2wzaA1 LYS 1233 HG2 -0.03 -0.00 -0.41 -0.04 1.46 0.98 2wzaA1 LYS 1233 HG3 0.00 0.09 -0.17 -0.04 1.46 1.34 2wzaA1 LYS 1233 HD2 0.05 0.00 -0.05 -0.04 1.69 1.65 2wzaA1 LYS 1233 HD3 0.02 0.04 -0.06 -0.04 1.68 1.63 2wzaA1 LYS 1233 HE2 0.00 -0.02 -0.10 -0.04 2.99 2.83 2wzaA1 LYS 1233 HE3 0.02 -0.01 -0.11 -0.04 2.99 2.84 2wzaA1 ALA 1234 H -0.34 0.30 0.19 -0.55 8.40 8.01 2wzaA1 ALA 1234 HA -0.10 0.15 0.88 -0.75 4.34 4.52 2wzaA1 ALA 1234 HB3 0.05 0.01 -0.03 -0.04 1.41 1.39 2wzaA1 TYR 1235 H -0.17 0.62 0.34 -0.55 8.29 8.53 2wzaA1 TYR 1235 HA -0.22 0.30 1.04 -0.75 4.56 4.92 2wzaA1 TYR 1235 HB2 -0.18 -0.13 -0.01 -0.04 3.06 2.70 2wzaA1 TYR 1235 HB3 -0.17 0.09 -0.10 -0.04 2.98 2.76 2wzaA1 TYR 1235 HD2 -0.09 -0.01 -0.21 -0.04 7.15 6.79 2wzaA1 TYR 1235 HE2 -0.07 -0.00 -0.13 -0.04 6.85 6.61 2wzaA1 GLN 1236 H -0.21 0.80 0.39 -0.55 8.47 8.91 2wzaA1 GLN 1236 HA -0.89 0.12 0.98 -0.75 4.36 3.81 2wzaA1 GLN 1236 HB2 -0.43 -0.02 0.14 -0.04 2.15 1.80 2wzaA1 GLN 1236 HB3 0.02 0.06 0.21 -0.04 2.02 2.27 2wzaA1 GLN 1236 HG2 0.28 0.03 -0.17 -0.04 2.40 2.50 2wzaA1 GLN 1236 HG3 -0.50 -0.02 0.03 -0.04 2.39 1.86 2wzaA1 GLN 1236 HE21 0.28 0.30 0.02 -0.04 6.97 7.52 2wzaA1 GLN 1236 HE22 0.54 -0.01 -0.10 -0.04 7.69 8.08 2wzaA1 ILE 1237 H -0.05 0.70 0.25 -0.55 8.25 8.60 2wzaA1 ILE 1237 HA 0.11 0.48 1.04 -0.75 4.18 5.05 2wzaA1 ILE 1237 HB 0.21 -0.14 0.09 -0.04 1.89 2.01 2wzaA1 ILE 1237 HG12 -0.06 0.09 -0.29 -0.04 1.49 1.19 2wzaA1 ILE 1237 HG13 -0.04 -0.10 -0.56 -0.04 1.21 0.47 2wzaA1 ILE 1237 HG23 0.06 -0.00 -0.37 -0.04 0.93 0.59 2wzaA1 ILE 1237 HD13 -0.10 -0.01 -0.23 -0.04 0.88 0.50 2wzaA1 ASP 1238 H 0.41 0.47 0.13 -0.55 8.40 8.86 2wzaA1 ASP 1238 HA 0.17 0.15 1.10 -0.75 4.63 5.30 2wzaA1 ASP 1238 HB2 0.61 0.03 0.05 -0.04 2.71 3.36 2wzaA1 ASP 1238 HB3 0.05 -0.02 -0.00 -0.04 2.70 2.69 2wzaA1 PHE 1239 H -0.74 0.55 0.16 -0.55 8.34 7.75 2wzaA1 PHE 1239 HA -0.21 0.14 0.26 -0.75 4.62 4.06 2wzaA1 PHE 1239 HB2 0.07 0.17 0.00 -0.04 3.15 3.35 2wzaA1 PHE 1239 HB3 -0.02 -0.07 0.14 -0.04 3.06 3.07 2wzaA1 PHE 1239 HD2 0.03 0.07 -0.42 -0.04 7.28 6.92 2wzaA1 PHE 1239 HE2 -0.34 -0.01 -0.12 -0.04 7.38 6.87 2wzaA1 PHE 1239 HZ 0.16 0.02 -0.12 -0.04 7.32 7.34 2wzaA1 GLY 1240 H 0.04 0.15 -0.61 -0.55 8.43 7.47 2wzaA1 GLY 1240 HA2 0.03 0.01 0.16 -0.51 4.01 3.70 2wzaA1 GLY 1240 HA3 0.03 0.08 0.49 -0.51 4.01 4.11 2wzaA1 ASN 1241 H 0.15 0.48 -0.44 -0.55 8.53 8.17 2wzaA1 ASN 1241 HA -0.09 0.16 0.80 -0.75 4.76 4.88 2wzaA1 ASN 1241 HB2 0.20 -0.01 0.06 -0.04 2.88 3.09 2wzaA1 ASN 1241 HB3 -0.23 0.02 0.01 -0.04 2.79 2.55 2wzaA1 ASN 1241 HD21 0.15 -0.07 -0.01 -0.04 7.03 7.07 2wzaA1 ASN 1241 HD22 0.37 0.00 0.00 -0.04 7.74 8.07 2wzaA1 GLY 1242 H -0.28 0.22 0.22 -0.55 8.43 8.05 2wzaA1 GLY 1242 HA2 -0.14 0.23 0.94 -0.51 4.01 4.53 2wzaA1 GLY 1242 HA3 -0.17 0.08 0.30 -0.51 4.01 3.70 2wzaA1 TYR 1243 H 0.04 0.66 0.36 -0.55 8.29 8.80 2wzaA1 TYR 1243 HA 0.04 0.12 0.86 -0.75 4.56 4.83 2wzaA1 TYR 1243 HB2 0.02 -0.14 0.12 -0.04 3.06 3.03 2wzaA1 TYR 1243 HB3 0.03 0.13 0.06 -0.04 2.98 3.15 2wzaA1 TYR 1243 HD2 0.10 0.02 -0.06 -0.04 7.15 7.17 2wzaA1 TYR 1243 HE2 0.20 -0.04 -0.05 -0.04 6.85 6.93 2wzaA1 ALA 1244 H 0.09 0.16 0.18 -0.55 8.40 8.29 2wzaA1 ALA 1244 HA -0.20 0.12 0.85 -0.75 4.34 4.35 2wzaA1 ALA 1244 HB3 -0.02 0.02 0.12 -0.04 1.41 1.49 2wzaA1 THR 1245 H -0.29 0.55 0.28 -0.55 8.28 8.27 2wzaA1 THR 1245 HA -0.05 0.27 0.67 -0.75 4.39 4.52 2wzaA1 THR 1245 HB -0.04 -0.16 0.08 -0.04 4.32 4.16 2wzaA1 THR 1245 HG23 -0.03 -0.01 -0.37 -0.04 1.22 0.77 2wzaA1 GLU 1246 H -0.03 0.06 0.17 -0.55 8.60 8.25 2wzaA1 GLU 1246 HA -0.04 0.08 0.65 -0.75 4.29 4.22 2wzaA1 GLU 1246 HB2 -0.01 -0.03 0.10 -0.04 2.09 2.11 2wzaA1 GLU 1246 HB3 -0.02 0.08 0.06 -0.04 1.99 2.08 2wzaA1 GLU 1246 HG2 -0.01 0.02 0.10 -0.04 2.34 2.40 2wzaA1 GLU 1246 HG3 -0.01 0.01 0.11 -0.04 2.34 2.41 2wzaA1 VAL 1247 H -0.03 0.11 0.16 -0.55 8.24 7.93 2wzaA1 VAL 1247 HA -0.06 0.21 0.75 -0.75 4.13 4.28 2wzaA1 VAL 1247 HB -0.02 -0.04 0.14 -0.04 2.12 2.16 2wzaA1 VAL 1247 HG13 -0.01 -0.01 -0.21 -0.04 0.97 0.70 2wzaA1 VAL 1247 HG23 -0.04 0.01 -0.01 -0.04 0.95 0.87 2wzaA1 VAL 1248 H -0.03 0.64 0.30 -0.55 8.24 8.60 2wzaA1 VAL 1248 HA 0.02 0.15 0.95 -0.75 4.13 4.49 2wzaA1 VAL 1248 HB 0.05 -0.03 0.07 -0.04 2.12 2.17 2wzaA1 VAL 1248 HG13 0.14 -0.03 -0.17 -0.04 0.97 0.87 2wzaA1 VAL 1248 HG23 0.03 0.00 -0.26 -0.04 0.95 0.69 2wzaA1 VAL 1249 H -0.00 0.18 0.20 -0.55 8.24 8.06 2wzaA1 VAL 1249 HA -0.05 0.27 1.12 -0.75 4.13 4.72 2wzaA1 VAL 1249 HB -0.03 -0.03 0.11 -0.04 2.12 2.13 2wzaA1 VAL 1249 HG13 -0.06 0.02 -0.09 -0.04 0.97 0.81 2wzaA1 VAL 1249 HG23 -0.01 0.00 -0.15 -0.04 0.95 0.75 2wzaA1 ASN 1250 H -0.37 0.71 0.40 -0.55 8.53 8.72 2wzaA1 ASN 1250 HA -0.15 0.18 0.54 -0.75 4.76 4.57 2wzaA1 ASN 1250 HB2 -0.90 -0.08 -0.02 -0.04 2.88 1.83 2wzaA1 ASN 1250 HB3 -0.26 0.12 0.06 -0.04 2.79 2.67 2wzaA1 ASN 1250 HD21 -0.00 0.29 0.13 -0.04 7.03 7.41 2wzaA1 ASN 1250 HD22 -0.04 0.56 0.16 -0.04 7.74 8.38 2wzaA1 ASN 1251 H -0.09 0.53 0.15 -0.55 8.53 8.57 2wzaA1 ASN 1251 HA -0.03 0.18 0.87 -0.75 4.76 5.03 2wzaA1 ASN 1251 HB2 -0.01 -0.01 -0.13 -0.04 2.88 2.69 2wzaA1 ASN 1251 HB3 0.01 0.02 -0.04 -0.04 2.79 2.74 2wzaA1 ASN 1251 HD21 0.05 0.00 -0.22 -0.04 7.03 6.82 2wzaA1 ASN 1251 HD22 0.05 -0.02 -0.29 -0.04 7.74 7.43 2wzaA1 VAL 1252 H 0.22 0.58 0.14 -0.55 8.24 8.63 2wzaA1 VAL 1252 HA 0.17 0.31 0.93 -0.75 4.13 4.78 2wzaA1 VAL 1252 HB 0.50 -0.03 -0.03 -0.04 2.12 2.52 2wzaA1 VAL 1252 HG13 0.26 0.05 -0.11 -0.04 0.97 1.14 2wzaA1 VAL 1252 HG23 0.30 0.02 -0.11 -0.04 0.95 1.12 2wzaA1 PRO 1253 HA 0.05 0.02 0.49 -0.51 4.44 4.49 2wzaA1 PRO 1253 HB2 0.01 0.02 -0.11 -0.04 2.28 2.15 2wzaA1 PRO 1253 HB3 0.03 0.08 0.08 -0.04 2.02 2.16 2wzaA1 PRO 1253 HG2 0.05 -0.03 -0.02 -0.04 2.03 1.99 2wzaA1 PRO 1253 HG3 0.06 0.06 -0.00 -0.04 2.03 2.11 2wzaA1 PRO 1253 HD2 0.11 0.04 0.05 -0.04 3.68 3.84 2wzaA1 PRO 1253 HD3 0.10 0.17 0.08 -0.04 3.65 3.95 2wzaA1 LYS 1254 H 0.02 0.08 0.16 -0.55 8.42 8.12 2wzaA1 LYS 1254 HA 0.01 0.31 0.54 -0.75 4.32 4.43 2wzaA1 LYS 1254 HB2 0.00 0.12 -0.02 -0.04 1.87 1.93 2wzaA1 LYS 1254 HB3 -0.01 -0.14 0.10 -0.04 1.79 1.70 2wzaA1 LYS 1254 HG2 -0.01 -0.09 -0.21 -0.04 1.46 1.10 2wzaA1 LYS 1254 HG3 -0.00 0.14 -0.48 -0.04 1.46 1.09 2wzaA1 LYS 1254 HD2 -0.01 0.07 0.15 -0.04 1.69 1.86 2wzaA1 LYS 1254 HD3 -0.01 0.02 0.09 -0.04 1.68 1.73 2wzaA1 LYS 1254 HE2 -0.00 -0.08 0.02 -0.04 2.99 2.88 2wzaA1 LYS 1254 HE3 -0.01 -0.04 -0.07 -0.04 2.99 2.83 2wzaA1 ILE 1255 H -0.13 0.63 0.19 -0.55 8.25 8.39 2wzaA1 ILE 1255 HA -0.19 0.08 0.94 -0.75 4.18 4.26 2wzaA1 ILE 1255 HB -1.63 0.03 0.11 -0.04 1.89 0.35 2wzaA1 ILE 1255 HG12 -0.29 0.16 -0.11 -0.04 1.49 1.21 2wzaA1 ILE 1255 HG13 -0.57 -0.06 -0.05 -0.04 1.21 0.49 2wzaA1 ILE 1255 HG23 -0.53 -0.04 -0.13 -0.04 0.93 0.19 2wzaA1 ILE 1255 HD13 -0.12 -0.00 -0.25 -0.04 0.88 0.47 2wzaA1 THR 1256 H -0.09 0.07 0.03 -0.55 8.28 7.74 2wzaA1 THR 1256 HA -0.04 0.26 0.94 -0.75 4.39 4.79 2wzaA1 THR 1256 HB -0.01 0.02 0.04 -0.04 4.32 4.33 2wzaA1 THR 1256 HG23 -0.02 0.01 -0.33 -0.04 1.22 0.83 2wzaA1 PRO 1257 HA 0.08 0.19 0.32 -0.51 4.44 4.51 2wzaA1 PRO 1257 HB2 -0.27 -0.05 -0.12 -0.04 2.28 1.80 2wzaA1 PRO 1257 HB3 0.01 -0.01 0.07 -0.04 2.02 2.04 2wzaA1 PRO 1257 HG2 -0.18 0.21 -0.23 -0.04 2.03 1.79 2wzaA1 PRO 1257 HG3 -0.13 -0.09 -0.01 -0.04 2.03 1.76 2wzaA1 PRO 1257 HD2 -0.05 0.26 -0.05 -0.04 3.68 3.80 2wzaA1 PRO 1257 HD3 -0.08 0.23 -0.14 -0.04 3.65 3.62 2wzaA1 LYS 1258 H 0.21 0.52 0.34 -0.55 8.42 8.93 2wzaA1 LYS 1258 HA 0.08 0.09 0.99 -0.75 4.32 4.73 2wzaA1 LYS 1258 HB2 0.09 -0.00 0.11 -0.04 1.87 2.02 2wzaA1 LYS 1258 HB3 0.07 -0.02 -0.08 -0.04 1.79 1.73 2wzaA1 LYS 1258 HG2 0.04 -0.03 -0.01 -0.04 1.46 1.42 2wzaA1 LYS 1258 HG3 0.04 -0.01 0.06 -0.04 1.46 1.51 2wzaA1 LYS 1258 HD2 0.04 0.17 -0.43 -0.04 1.69 1.43 2wzaA1 LYS 1258 HD3 0.05 -0.01 -0.08 -0.04 1.68 1.61 2wzaA1 LYS 1258 HE2 0.03 -0.06 -0.02 -0.04 2.99 2.89 2wzaA1 LYS 1258 HE3 0.02 -0.02 -0.03 -0.04 2.99 2.93 2wzaA1 LYS 1259 H 0.09 0.21 0.21 -0.55 8.42 8.37 2wzaA1 LYS 1259 HA 0.09 0.36 1.13 -0.75 4.32 5.14 2wzaA1 LYS 1259 HB2 0.25 -0.06 -0.05 -0.04 1.87 1.96 2wzaA1 LYS 1259 HB3 0.08 0.08 0.09 -0.04 1.79 1.99 2wzaA1 LYS 1259 HG2 -0.01 -0.06 -0.26 -0.04 1.46 1.10 2wzaA1 LYS 1259 HG3 0.00 0.08 -0.02 -0.04 1.46 1.48 2wzaA1 LYS 1259 HD2 0.06 -0.06 -0.24 -0.04 1.69 1.41 2wzaA1 LYS 1259 HD3 -0.04 0.13 -0.27 -0.04 1.68 1.47 2wzaA1 LYS 1259 HE2 -0.57 -0.02 -0.23 -0.04 2.99 2.13 2wzaA1 LYS 1259 HE3 -0.47 0.02 -0.18 -0.04 2.99 2.32 2wzaA1 ASP 1260 H 0.03 0.61 0.33 -0.55 8.40 8.82 2wzaA1 ASP 1260 HA 0.07 0.17 0.84 -0.75 4.63 4.95 2wzaA1 ASP 1260 HB2 0.03 -0.01 -0.03 -0.04 2.71 2.66 2wzaA1 ASP 1260 HB3 0.06 -0.03 0.07 -0.04 2.70 2.76 2wzaA1 VAL 1261 H 0.10 0.12 0.21 -0.55 8.24 8.12 2wzaA1 VAL 1261 HA 0.30 0.34 1.10 -0.75 4.13 5.10 2wzaA1 VAL 1261 HB 0.09 -0.20 -0.00 -0.04 2.12 1.96 2wzaA1 VAL 1261 HG13 0.05 0.04 -0.18 -0.04 0.97 0.83 2wzaA1 VAL 1261 HG23 0.28 0.01 -0.25 -0.04 0.95 0.95 2wzaA1 THR 1262 H 0.21 0.74 0.31 -0.55 8.28 8.99 2wzaA1 THR 1262 HA 0.09 0.35 0.96 -0.75 4.39 5.04 2wzaA1 THR 1262 HB 0.12 -0.07 -0.05 -0.04 4.32 4.28 2wzaA1 THR 1262 HG23 0.12 0.01 -0.47 -0.04 1.22 0.84 2wzaA1 VAL 1263 H 0.08 0.15 0.18 -0.55 8.24 8.10 2wzaA1 VAL 1263 HA 0.13 0.15 0.77 -0.75 4.13 4.43 2wzaA1 VAL 1263 HB 0.06 0.06 0.14 -0.04 2.12 2.34 2wzaA1 VAL 1263 HG13 0.05 0.02 0.01 -0.04 0.97 1.01 2wzaA1 VAL 1263 HG23 0.03 -0.01 0.07 -0.04 0.95 1.00 2wzaA1 SER 1264 H 0.06 0.07 0.04 -0.55 8.46 8.08 2wzaA1 SER 1264 HA 0.01 0.29 0.82 -0.75 4.49 4.85 2wzaA1 SER 1264 HB2 -0.02 0.03 0.11 -0.04 3.95 4.04 2wzaA1 SER 1264 HB3 0.01 0.04 -0.13 -0.04 3.93 3.80 2wzaA1 LEU 1265 H -0.09 0.14 0.08 -0.55 8.37 7.95 2wzaA1 LEU 1265 HA -0.40 0.20 0.58 -0.75 4.35 3.97 2wzaA1 LEU 1265 HB2 -0.19 -0.01 -0.03 -0.04 1.64 1.37 2wzaA1 LEU 1265 HB3 -0.46 0.04 0.01 -0.04 1.64 1.19 2wzaA1 LEU 1265 HG -0.14 -0.04 -0.08 -0.04 1.64 1.34 2wzaA1 LEU 1265 HD13 -0.05 0.01 -0.07 -0.04 0.93 0.78 2wzaA1 LEU 1265 HD23 -0.56 0.02 -0.18 -0.04 0.89 0.13 2wzaA1 ASP 1266 H -0.06 -0.06 -0.16 -0.55 8.40 7.58 2wzaA1 ASP 1266 HA -0.07 0.12 0.41 -0.75 4.63 4.33 2wzaA1 ASP 1266 HB2 -0.02 -0.05 0.05 -0.04 2.71 2.65 2wzaA1 ASP 1266 HB3 -0.02 -0.11 -0.00 -0.04 2.70 2.53 2wzaA1 PRO 1267 HA -0.01 0.16 0.26 -0.51 4.44 4.35 2wzaA1 PRO 1267 HB2 -0.02 0.03 -0.05 -0.04 2.28 2.20 2wzaA1 PRO 1267 HB3 -0.04 0.06 0.08 -0.04 2.02 2.07 2wzaA1 PRO 1267 HG2 -0.04 0.04 0.05 -0.04 2.03 2.04 2wzaA1 PRO 1267 HG3 -0.08 0.08 0.08 -0.04 2.03 2.07 2wzaA1 PRO 1267 HD2 -0.03 0.04 0.15 -0.04 3.68 3.79 2wzaA1 PRO 1267 HD3 -0.06 0.08 0.24 -0.04 3.65 3.87 2wzaA1 THR 1268 H -0.01 -0.08 -0.37 -0.55 8.28 7.27 2wzaA1 THR 1268 HA 0.01 0.21 0.65 -0.75 4.39 4.51 2wzaA1 THR 1268 HB 0.00 0.03 -0.01 -0.04 4.32 4.30 2wzaA1 THR 1268 HG23 -0.00 0.00 -0.06 -0.04 1.22 1.11 2wzaA1 SER 1269 H 0.01 -0.08 -0.36 -0.55 8.46 7.48 2wzaA1 SER 1269 HA 0.02 -0.10 0.30 -0.75 4.49 3.96 2wzaA1 SER 1269 HB2 0.02 -0.12 -0.02 -0.04 3.95 3.79 2wzaA1 SER 1269 HB3 0.06 0.21 -0.12 -0.04 3.93 4.04 2wzaA1 GLU 1270 H 0.03 -0.02 0.15 -0.55 8.60 8.21 2wzaA1 GLU 1270 HA 0.03 0.13 0.51 -0.75 4.29 4.20 2wzaA1 GLU 1270 HB2 0.02 -0.12 0.15 -0.04 2.09 2.10 2wzaA1 GLU 1270 HB3 0.02 0.13 -0.11 -0.04 1.99 1.99 2wzaA1 GLU 1270 HG2 0.02 0.07 0.06 -0.04 2.34 2.44 2wzaA1 GLU 1270 HG3 0.01 -0.07 0.06 -0.04 2.34 2.30 2wzaA1 ASN 1271 H 0.03 0.15 0.23 -0.55 8.53 8.40 2wzaA1 ASN 1271 HA 0.06 0.29 0.85 -0.75 4.76 5.21 2wzaA1 ASN 1271 HB2 0.04 0.07 0.20 -0.04 2.88 3.15 2wzaA1 ASN 1271 HB3 0.03 0.04 0.22 -0.04 2.79 3.04 2wzaA1 ASN 1271 HD21 0.04 0.04 0.13 -0.04 7.03 7.20 2wzaA1 ASN 1271 HD22 0.03 0.06 0.08 -0.04 7.74 7.88 2wzaA1 LEU 1272 H 0.04 0.61 0.32 -0.55 8.37 8.80 2wzaA1 LEU 1272 HA 0.01 0.17 0.63 -0.75 4.35 4.41 2wzaA1 LEU 1272 HB2 -0.02 -0.06 -0.13 -0.04 1.64 1.38 2wzaA1 LEU 1272 HB3 -0.04 -0.01 0.02 -0.04 1.64 1.58 2wzaA1 LEU 1272 HG 0.02 0.18 -0.06 -0.04 1.64 1.74 2wzaA1 LEU 1272 HD13 -0.05 0.00 -0.12 -0.04 0.93 0.72 2wzaA1 LEU 1272 HD23 0.00 -0.01 -0.13 -0.04 0.89 0.72 2wzaA1 ASP 1273 H 0.04 -0.02 -0.15 -0.55 8.40 7.72 2wzaA1 ASP 1273 HA 0.04 0.02 0.49 -0.75 4.63 4.43 2wzaA1 ASP 1273 HB2 0.05 -0.09 0.17 -0.04 2.71 2.80 2wzaA1 ASP 1273 HB3 0.03 0.05 0.12 -0.04 2.70 2.86 2wzaA1 GLY 1274 H 0.02 0.73 0.49 -0.55 8.43 9.13 2wzaA1 GLY 1274 HA2 0.01 -0.03 0.39 -0.51 4.01 3.86 2wzaA1 GLY 1274 HA3 0.01 0.05 0.53 -0.51 4.01 4.08 2wzaA1 GLN 1275 H -0.00 0.61 -0.11 -0.55 8.47 8.41 2wzaA1 GLN 1275 HA -0.01 0.16 0.88 -0.75 4.36 4.63 2wzaA1 GLN 1275 HB2 -0.01 0.07 0.13 -0.04 2.15 2.30 2wzaA1 GLN 1275 HB3 -0.01 -0.17 0.23 -0.04 2.02 2.03 2wzaA1 GLN 1275 HG2 -0.00 -0.01 -0.08 -0.04 2.40 2.27 2wzaA1 GLN 1275 HG3 0.00 0.09 -0.40 -0.04 2.39 2.04 2wzaA1 GLN 1275 HE21 0.01 -0.03 0.04 -0.04 6.97 6.95 2wzaA1 GLN 1275 HE22 0.01 0.01 -0.02 -0.04 7.69 7.64 2wzaA1 THR 1276 H -0.02 0.14 0.21 -0.55 8.28 8.05 2wzaA1 THR 1276 HA -0.03 0.18 1.19 -0.75 4.39 4.98 2wzaA1 THR 1276 HB -0.02 0.10 0.11 -0.04 4.32 4.46 2wzaA1 THR 1276 HG23 -0.02 -0.02 -0.08 -0.04 1.22 1.07 2wzaA1 VAL 1277 H -0.05 0.62 0.25 -0.55 8.24 8.51 2wzaA1 VAL 1277 HA -0.09 0.11 0.76 -0.75 4.13 4.15 2wzaA1 VAL 1277 HB -0.16 -0.02 -0.09 -0.04 2.12 1.81 2wzaA1 VAL 1277 HG13 -0.26 0.04 -0.15 -0.04 0.97 0.57 2wzaA1 VAL 1277 HG23 -0.40 -0.01 -0.28 -0.04 0.95 0.22 2wzaA1 GLN 1278 H -0.02 0.12 0.09 -0.55 8.47 8.12 2wzaA1 GLN 1278 HA -0.02 0.06 0.57 -0.75 4.36 4.22 2wzaA1 GLN 1278 HB2 0.02 -0.02 0.06 -0.04 2.15 2.17 2wzaA1 GLN 1278 HB3 0.00 0.08 0.07 -0.04 2.02 2.14 2wzaA1 GLN 1278 HG2 -0.00 0.00 0.00 -0.04 2.40 2.36 2wzaA1 GLN 1278 HG3 -0.00 -0.03 0.02 -0.04 2.39 2.35 2wzaA1 GLN 1278 HE21 0.02 0.01 0.01 -0.04 6.97 6.96 2wzaA1 GLN 1278 HE22 0.01 -0.01 0.01 -0.04 7.69 7.66 2wzaA1 LEU 1279 H -0.06 0.07 0.16 -0.55 8.37 7.99 2wzaA1 LEU 1279 HA -0.16 0.09 0.47 -0.75 4.35 4.00 2wzaA1 LEU 1279 HB2 -0.17 -0.03 0.07 -0.04 1.64 1.48 2wzaA1 LEU 1279 HB3 -0.24 -0.02 0.10 -0.04 1.64 1.44 2wzaA1 LEU 1279 HG -1.60 0.07 -0.17 -0.04 1.64 -0.11 2wzaA1 LEU 1279 HD13 -0.30 0.03 -0.33 -0.04 0.93 0.29 2wzaA1 LEU 1279 HD23 -0.26 -0.01 -0.06 -0.04 0.89 0.52 2wzaA1 TYR 1280 H -0.15 0.60 0.26 -0.55 8.29 8.45 2wzaA1 TYR 1280 HA 0.02 0.14 0.38 -0.75 4.56 4.34 2wzaA1 TYR 1280 HB2 0.02 0.12 0.09 -0.04 3.06 3.25 2wzaA1 TYR 1280 HB3 0.01 -0.05 0.15 -0.04 2.98 3.04 2wzaA1 TYR 1280 HD2 0.01 0.06 -0.05 -0.04 7.15 7.13 2wzaA1 TYR 1280 HE2 0.01 0.01 -0.03 -0.04 6.85 6.80 2wzaA1 GLN 1281 H 0.08 0.40 -0.58 -0.55 8.47 7.82 2wzaA1 GLN 1281 HA 0.09 0.02 0.56 -0.75 4.36 4.28 2wzaA1 GLN 1281 HB2 0.05 -0.07 0.05 -0.04 2.15 2.14 2wzaA1 GLN 1281 HB3 0.08 0.02 0.06 -0.04 2.02 2.14 2wzaA1 GLN 1281 HG2 0.13 0.12 -0.25 -0.04 2.40 2.36 2wzaA1 GLN 1281 HG3 0.07 -0.02 0.11 -0.04 2.39 2.52 2wzaA1 GLN 1281 HE21 0.02 -0.03 0.04 -0.04 6.97 6.96 2wzaA1 GLN 1281 HE22 0.04 0.06 0.06 -0.04 7.69 7.82 2wzaA1 THR 1282 H 0.07 0.09 0.24 -0.55 8.28 8.14 2wzaA1 THR 1282 HA -0.01 0.27 0.97 -0.75 4.39 4.87 2wzaA1 THR 1282 HB 0.01 -0.07 0.21 -0.04 4.32 4.43 2wzaA1 THR 1282 HG23 -0.06 0.01 -0.04 -0.04 1.22 1.09 2wzaA1 PHE 1283 H -0.36 0.67 0.36 -0.55 8.34 8.46 2wzaA1 PHE 1283 HA -0.02 0.20 0.67 -0.75 4.62 4.72 2wzaA1 PHE 1283 HB2 -0.05 0.05 0.04 -0.04 3.15 3.15 2wzaA1 PHE 1283 HB3 -0.04 0.03 -0.35 -0.04 3.06 2.65 2wzaA1 PHE 1283 HD2 -0.16 0.13 -0.34 -0.04 7.28 6.87 2wzaA1 PHE 1283 HE2 -0.78 -0.01 -0.36 -0.04 7.38 6.19 2wzaA1 PHE 1283 HZ -0.26 -0.01 -0.28 -0.04 7.32 6.72 2wzaA1 ASN 1284 H 0.22 0.94 0.34 -0.55 8.53 9.48 2wzaA1 ASN 1284 HA -0.09 0.34 1.07 -0.75 4.76 5.32 2wzaA1 ASN 1284 HB2 0.24 0.02 -0.16 -0.04 2.88 2.93 2wzaA1 ASN 1284 HB3 0.30 -0.05 -0.29 -0.04 2.79 2.72 2wzaA1 ASN 1284 HD21 0.03 -0.05 -0.31 -0.04 7.03 6.65 2wzaA1 ASN 1284 HD22 0.10 0.03 -0.72 -0.04 7.74 7.11 2wzaA1 TYR 1285 H -0.01 0.54 0.24 -0.55 8.29 8.51 2wzaA1 TYR 1285 HA 0.10 0.24 0.97 -0.75 4.56 5.12 2wzaA1 TYR 1285 HB2 -0.04 -0.03 0.14 -0.04 3.06 3.08 2wzaA1 TYR 1285 HB3 -0.01 0.02 -0.11 -0.04 2.98 2.84 2wzaA1 TYR 1285 HD2 0.07 0.06 -0.02 -0.04 7.15 7.22 2wzaA1 TYR 1285 HE2 0.16 -0.03 -0.20 -0.04 6.85 6.75 2wzaA1 ARG 1286 H 0.09 0.69 0.16 -0.55 8.46 8.84 2wzaA1 ARG 1286 HA -0.46 0.19 0.82 -0.75 4.34 4.14 2wzaA1 ARG 1286 HB2 -0.32 0.01 -0.18 -0.04 1.90 1.37 2wzaA1 ARG 1286 HB3 -0.10 -0.09 0.02 -0.04 1.80 1.58 2wzaA1 ARG 1286 HG2 -0.30 -0.01 -0.41 -0.04 1.67 0.91 2wzaA1 ARG 1286 HG3 -1.22 -0.00 -0.22 -0.04 1.67 0.19 2wzaA1 ARG 1286 HD2 -0.03 0.05 -0.18 -0.04 3.22 3.01 2wzaA1 ARG 1286 HD3 -0.05 -0.04 -0.16 -0.04 3.22 2.92 2wzaA1 LEU 1287 H -0.32 0.83 0.31 -0.55 8.37 8.64 2wzaA1 LEU 1287 HA -0.22 0.24 0.93 -0.75 4.35 4.54 2wzaA1 LEU 1287 HB2 -0.49 -0.11 0.19 -0.04 1.64 1.18 2wzaA1 LEU 1287 HB3 -1.71 0.01 -0.04 -0.04 1.64 -0.14 2wzaA1 LEU 1287 HG -0.27 0.16 -0.10 -0.04 1.64 1.38 2wzaA1 LEU 1287 HD13 -0.33 -0.03 -0.16 -0.04 0.93 0.37 2wzaA1 LEU 1287 HD23 -0.19 0.00 -0.39 -0.04 0.89 0.27 2wzaA1 ILE 1288 H 0.11 0.75 0.32 -0.55 8.25 8.88 2wzaA1 ILE 1288 HA 0.17 0.04 0.87 -0.75 4.18 4.49 2wzaA1 ILE 1288 HB 0.12 -0.07 0.18 -0.04 1.89 2.08 2wzaA1 ILE 1288 HG12 0.04 -0.00 -0.12 -0.04 1.49 1.37 2wzaA1 ILE 1288 HG13 -0.00 -0.08 -0.25 -0.04 1.21 0.84 2wzaA1 ILE 1288 HG23 0.11 0.06 -0.07 -0.04 0.93 0.99 2wzaA1 ILE 1288 HD13 0.04 0.00 -0.11 -0.04 0.88 0.77 2wzaA1 GLY 1289 H 0.37 0.64 0.42 -0.55 8.43 9.32 2wzaA1 GLY 1289 HA2 0.24 0.01 0.43 -0.51 4.01 4.18 2wzaA1 GLY 1289 HA3 0.36 -0.01 0.40 -0.51 4.01 4.24 2wzaA1 GLY 1290 H -0.06 0.05 0.11 -0.55 8.43 7.98 2wzaA1 GLY 1290 HA2 0.00 0.11 0.36 -0.51 4.01 3.96 2wzaA1 GLY 1290 HA3 -0.10 0.02 0.22 -0.51 4.01 3.65 2wzaA1 LEU 1291 H 0.01 0.16 0.16 -0.55 8.37 8.15 2wzaA1 LEU 1291 HA 0.07 0.19 0.87 -0.75 4.35 4.73 2wzaA1 LEU 1291 HB2 0.03 0.01 0.08 -0.04 1.64 1.72 2wzaA1 LEU 1291 HB3 0.02 0.03 0.11 -0.04 1.64 1.76 2wzaA1 LEU 1291 HG 0.02 -0.02 -0.11 -0.04 1.64 1.49 2wzaA1 LEU 1291 HD13 0.02 -0.00 -0.06 -0.04 0.93 0.85 2wzaA1 LEU 1291 HD23 0.03 0.01 -0.38 -0.04 0.89 0.50 2wzaA1 ILE 1292 H 0.10 0.85 0.34 -0.55 8.25 8.99 2wzaA1 ILE 1292 HA 0.02 0.00 0.86 -0.75 4.18 4.30 2wzaA1 ILE 1292 HB 0.06 0.00 0.23 -0.04 1.89 2.14 2wzaA1 ILE 1292 HG12 -0.02 -0.01 -0.02 -0.04 1.49 1.41 2wzaA1 ILE 1292 HG13 0.12 0.00 -0.19 -0.04 1.21 1.09 2wzaA1 ILE 1292 HG23 -0.31 0.05 -0.13 -0.04 0.93 0.50 2wzaA1 ILE 1292 HD13 0.16 -0.02 -0.03 -0.04 0.88 0.94 2wzaA1 PRO 1293 HA 0.06 -0.03 0.35 -0.51 4.44 4.31 2wzaA1 PRO 1293 HB2 0.06 0.20 0.02 -0.04 2.28 2.52 2wzaA1 PRO 1293 HB3 0.04 -0.02 0.07 -0.04 2.02 2.07 2wzaA1 PRO 1293 HG2 0.08 0.08 -0.02 -0.04 2.03 2.14 2wzaA1 PRO 1293 HG3 0.05 -0.01 0.04 -0.04 2.03 2.07 2wzaA1 PRO 1293 HD2 0.03 0.03 0.17 -0.04 3.68 3.87 2wzaA1 PRO 1293 HD3 0.03 0.28 0.22 -0.04 3.65 4.14 2wzaA1 GLN 1294 H 0.07 0.00 0.07 -0.55 8.47 8.06 2wzaA1 GLN 1294 HA 0.11 0.14 -0.09 -0.75 4.36 3.77 2wzaA1 GLN 1294 HB2 0.04 -0.07 -0.00 -0.04 2.15 2.07 2wzaA1 GLN 1294 HB3 0.02 0.05 0.00 -0.04 2.02 2.05 2wzaA1 GLN 1294 HG2 0.04 0.12 0.07 -0.04 2.40 2.59 2wzaA1 GLN 1294 HG3 0.04 -0.10 0.08 -0.04 2.39 2.37 2wzaA1 GLN 1294 HE21 0.02 -0.02 0.01 -0.04 6.97 6.93 2wzaA1 GLN 1294 HE22 0.02 -0.03 0.01 -0.04 7.69 7.65 2wzaA1 ASN 1295 H -0.04 0.10 0.19 -0.55 8.53 8.22 2wzaA1 ASN 1295 HA -0.08 -0.00 0.30 -0.75 4.76 4.22 2wzaA1 ASN 1295 HB2 -0.00 -0.08 -0.21 -0.04 2.88 2.54 2wzaA1 ASN 1295 HB3 0.01 0.12 -0.02 -0.04 2.79 2.87 2wzaA1 ASN 1295 HD21 -0.01 0.07 -0.13 -0.04 7.03 6.92 2wzaA1 ASN 1295 HD22 0.00 0.01 0.05 -0.04 7.74 7.75 2wzaA1 HIS 1296 H -0.37 0.36 0.00 -0.55 8.41 7.85 2wzaA1 HIS 1296 HA 0.02 0.20 0.81 -0.75 4.63 4.89 2wzaA1 HIS 1296 HB2 0.02 -0.20 0.10 -0.04 3.26 3.15 2wzaA1 HIS 1296 HB3 0.02 0.11 -0.03 -0.04 3.20 3.26 2wzaA1 HIS 1296 HD2 -0.02 0.15 -0.12 -0.04 6.97 6.93 2wzaA1 HIS 1296 HE1 -0.01 0.24 -0.02 -0.04 7.75 7.92 2wzaA1 SER 1297 H 0.14 0.12 0.26 -0.55 8.46 8.42 2wzaA1 SER 1297 HA 0.01 0.14 0.19 -0.75 4.49 4.07 2wzaA1 SER 1297 HB2 0.03 -0.08 0.01 -0.04 3.95 3.87 2wzaA1 SER 1297 HB3 0.05 0.21 -0.02 -0.04 3.93 4.13 2wzaA1 GLU 1298 H 0.14 0.16 0.04 -0.55 8.60 8.40 2wzaA1 GLU 1298 HA 0.03 0.14 0.68 -0.75 4.29 4.39 2wzaA1 GLU 1298 HB2 0.04 -0.06 0.13 -0.04 2.09 2.16 2wzaA1 GLU 1298 HB3 0.05 -0.01 -0.09 -0.04 1.99 1.90 2wzaA1 GLU 1298 HG2 0.07 -0.12 0.01 -0.04 2.34 2.26 2wzaA1 GLU 1298 HG3 0.05 0.21 -0.23 -0.04 2.34 2.33 2wzaA1 GLU 1299 H 0.02 0.05 0.10 -0.55 8.60 8.23 2wzaA1 GLU 1299 HA 0.03 0.11 0.31 -0.75 4.29 3.99 2wzaA1 GLU 1299 HB2 -0.00 -0.08 -0.01 -0.04 2.09 1.96 2wzaA1 GLU 1299 HB3 -0.02 0.14 -0.07 -0.04 1.99 1.99 2wzaA1 GLU 1299 HG2 -0.01 -0.09 0.09 -0.04 2.34 2.29 2wzaA1 GLU 1299 HG3 -0.02 -0.00 0.03 -0.04 2.34 2.31 2wzaA1 LEU 1300 H -0.06 0.23 0.10 -0.55 8.37 8.10 2wzaA1 LEU 1300 HA -0.07 0.07 0.78 -0.75 4.35 4.38 2wzaA1 LEU 1300 HB2 -0.30 0.01 0.03 -0.04 1.64 1.34 2wzaA1 LEU 1300 HB3 -0.22 -0.07 -0.02 -0.04 1.64 1.29 2wzaA1 LEU 1300 HG -0.21 0.09 0.03 -0.04 1.64 1.51 2wzaA1 LEU 1300 HD13 -0.67 -0.00 -0.05 -0.04 0.93 0.17 2wzaA1 LEU 1300 HD23 -0.34 0.03 -0.08 -0.04 0.89 0.46 2wzaA1 GLU 1301 H -0.01 0.05 0.17 -0.55 8.60 8.26 2wzaA1 GLU 1301 HA -0.01 0.23 0.84 -0.75 4.29 4.60 2wzaA1 GLU 1301 HB2 0.01 -0.04 -0.01 -0.04 2.09 2.01 2wzaA1 GLU 1301 HB3 0.01 -0.01 0.02 -0.04 1.99 1.97 2wzaA1 GLU 1301 HG2 0.00 0.12 -0.25 -0.04 2.34 2.16 2wzaA1 GLU 1301 HG3 0.01 0.01 -0.06 -0.04 2.34 2.26 2wzaA1 ASP 1302 H 0.02 0.05 0.13 -0.55 8.40 8.05 2wzaA1 ASP 1302 HA 0.09 0.22 0.82 -0.75 4.63 5.00 2wzaA1 ASP 1302 HB2 0.04 0.16 -0.18 -0.04 2.71 2.68 2wzaA1 ASP 1302 HB3 0.03 -0.19 0.10 -0.04 2.70 2.61 2wzaA1 TYR 1303 H 0.23 0.27 0.02 -0.55 8.29 8.25 2wzaA1 TYR 1303 HA 0.02 0.41 0.71 -0.75 4.56 4.95 2wzaA1 TYR 1303 HB2 -0.07 0.02 -0.09 -0.04 3.06 2.87 2wzaA1 TYR 1303 HB3 0.20 -0.06 0.14 -0.04 2.98 3.22 2wzaA1 TYR 1303 HD2 0.24 -0.03 -0.08 -0.04 7.15 7.24 2wzaA1 TYR 1303 HE2 0.16 0.08 -0.05 -0.04 6.85 6.99 2wzaA1 SER 1304 H -0.16 0.54 0.30 -0.55 8.46 8.59 2wzaA1 SER 1304 HA 0.14 0.00 1.14 -0.75 4.49 5.02 2wzaA1 SER 1304 HB2 0.01 0.00 -0.01 -0.04 3.95 3.90 2wzaA1 SER 1304 HB3 0.07 0.00 -0.00 -0.04 3.93 3.96 2wzaA1 PHE 1305 H 0.27 0.65 0.35 -0.55 8.34 9.06 2wzaA1 PHE 1305 HA 0.28 0.23 0.91 -0.75 4.62 5.28 2wzaA1 PHE 1305 HB2 -0.08 -0.09 0.18 -0.04 3.15 3.12 2wzaA1 PHE 1305 HB3 -0.18 0.04 -0.05 -0.04 3.06 2.83 2wzaA1 PHE 1305 HD2 -0.16 0.09 -0.09 -0.04 7.28 7.09 2wzaA1 PHE 1305 HE2 0.23 0.08 -0.17 -0.04 7.38 7.47 2wzaA1 PHE 1305 HZ 0.50 -0.08 -0.38 -0.04 7.32 7.32 2wzaA1 VAL 1306 H 0.29 0.76 0.33 -0.55 8.24 9.07 2wzaA1 VAL 1306 HA 0.08 0.18 1.04 -0.75 4.13 4.66 2wzaA1 VAL 1306 HB 0.06 0.02 0.20 -0.04 2.12 2.35 2wzaA1 VAL 1306 HG13 0.02 -0.01 -0.17 -0.04 0.97 0.77 2wzaA1 VAL 1306 HG23 0.03 -0.02 -0.16 -0.04 0.95 0.76 2wzaA1 ASP 1307 H 0.05 0.82 0.31 -0.55 8.40 9.03 2wzaA1 ASP 1307 HA 0.13 0.21 1.15 -0.75 4.63 5.37 2wzaA1 ASP 1307 HB2 0.06 -0.03 -0.18 -0.04 2.71 2.52 2wzaA1 ASP 1307 HB3 0.07 -0.06 0.14 -0.04 2.70 2.81 2wzaA1 ASP 1308 H 0.04 0.23 0.08 -0.55 8.40 8.21 2wzaA1 ASP 1308 HA -0.12 0.17 0.97 -0.75 4.63 4.90 2wzaA1 ASP 1308 HB2 -0.02 -0.10 0.08 -0.04 2.71 2.62 2wzaA1 ASP 1308 HB3 -0.02 -0.02 0.23 -0.04 2.70 2.86 2wzaA1 TYR 1309 H -0.53 0.30 0.15 -0.55 8.29 7.66 2wzaA1 TYR 1309 HA 0.05 0.09 0.46 -0.75 4.56 4.40 2wzaA1 TYR 1309 HB2 0.17 -0.04 -0.05 -0.04 3.06 3.10 2wzaA1 TYR 1309 HB3 0.11 -0.04 -0.12 -0.04 2.98 2.89 2wzaA1 TYR 1309 HD2 0.03 0.10 -0.32 -0.04 7.15 6.92 2wzaA1 TYR 1309 HE2 -0.00 0.05 -0.17 -0.04 6.85 6.68 2wzaA1 ASP 1310 H 0.26 0.18 0.14 -0.55 8.40 8.44 2wzaA1 ASP 1310 HA 0.06 0.17 0.62 -0.75 4.63 4.72 2wzaA1 ASP 1310 HB2 0.18 0.12 0.19 -0.04 2.71 3.16 2wzaA1 ASP 1310 HB3 0.22 -0.04 0.26 -0.04 2.70 3.09 2wzaA1 GLN 1311 H -0.02 0.34 0.24 -0.55 8.47 8.48 2wzaA1 GLN 1311 HA 0.20 0.27 0.39 -0.75 4.36 4.46 2wzaA1 GLN 1311 HB2 0.07 0.03 0.16 -0.04 2.15 2.37 2wzaA1 GLN 1311 HB3 -0.04 -0.00 0.07 -0.04 2.02 2.01 2wzaA1 GLN 1311 HG2 0.02 -0.09 -0.15 -0.04 2.40 2.14 2wzaA1 GLN 1311 HG3 0.01 0.10 0.01 -0.04 2.39 2.47 2wzaA1 GLN 1311 HE21 -0.05 -0.01 0.03 -0.04 6.97 6.90 2wzaA1 GLN 1311 HE22 -0.02 0.03 0.07 -0.04 7.69 7.73 2wzaA1 ALA 1312 H 0.05 -0.00 -0.39 -0.55 8.40 7.51 2wzaA1 ALA 1312 HA 0.03 0.14 0.61 -0.75 4.34 4.36 2wzaA1 ALA 1312 HB3 0.15 -0.00 0.03 -0.04 1.41 1.55 2wzaA1 GLY 1313 H -0.29 0.36 -0.11 -0.55 8.43 7.84 2wzaA1 GLY 1313 HA2 -0.66 0.17 0.83 -0.51 4.01 3.84 2wzaA1 GLY 1313 HA3 -2.32 -0.02 0.17 -0.51 4.01 1.32 2wzaA1 ASP 1314 H -0.07 0.46 0.13 -0.55 8.40 8.37 2wzaA1 ASP 1314 HA -0.01 0.29 0.98 -0.75 4.63 5.14 2wzaA1 ASP 1314 HB2 0.23 0.01 -0.08 -0.04 2.71 2.83 2wzaA1 ASP 1314 HB3 -0.01 -0.04 -0.25 -0.04 2.70 2.36 2wzaA1 GLN 1315 H -0.07 0.59 0.29 -0.55 8.47 8.72 2wzaA1 GLN 1315 HA 0.06 0.16 0.96 -0.75 4.36 4.79 2wzaA1 GLN 1315 HB2 0.03 0.07 -0.14 -0.04 2.15 2.07 2wzaA1 GLN 1315 HB3 -0.02 -0.01 0.02 -0.04 2.02 1.97 2wzaA1 GLN 1315 HG2 -0.03 0.10 -0.40 -0.04 2.40 2.02 2wzaA1 GLN 1315 HG3 0.03 -0.01 -0.00 -0.04 2.39 2.37 2wzaA1 GLN 1315 HE21 -0.01 -0.02 -0.05 -0.04 6.97 6.84 2wzaA1 GLN 1315 HE22 -0.01 0.01 -0.04 -0.04 7.69 7.60 2wzaA1 TYR 1316 H 0.01 0.16 0.10 -0.55 8.29 8.02 2wzaA1 TYR 1316 HA -0.29 0.20 0.66 -0.75 4.56 4.38 2wzaA1 TYR 1316 HB2 -0.45 0.03 0.00 -0.04 3.06 2.60 2wzaA1 TYR 1316 HB3 -0.06 -0.02 0.11 -0.04 2.98 2.97 2wzaA1 TYR 1316 HD2 -0.07 0.13 -0.01 -0.04 7.15 7.16 2wzaA1 TYR 1316 HE2 0.01 0.13 -0.07 -0.04 6.85 6.88 2wzaA1 THR 1317 H -0.32 0.58 0.26 -0.55 8.28 8.26 2wzaA1 THR 1317 HA -0.22 0.16 0.46 -0.75 4.39 4.03 2wzaA1 THR 1317 HB -0.17 0.01 0.07 -0.04 4.32 4.19 2wzaA1 THR 1317 HG23 -0.16 0.04 -0.22 -0.04 1.22 0.83 2wzaA1 GLY 1318 H -2.07 0.04 -0.32 -0.55 8.43 5.54 2wzaA1 GLY 1318 HA2 -0.70 -0.03 0.23 -0.51 4.01 2.99 2wzaA1 GLY 1318 HA3 -0.33 0.17 0.58 -0.51 4.01 3.92 2wzaA1 ASN 1319 H -0.37 0.08 -0.21 -0.55 8.53 7.48 2wzaA1 ASN 1319 HA -0.05 0.26 1.07 -0.75 4.76 5.29 2wzaA1 ASN 1319 HB2 -0.08 -0.06 0.04 -0.04 2.88 2.75 2wzaA1 ASN 1319 HB3 -0.07 0.02 -0.01 -0.04 2.79 2.69 2wzaA1 ASN 1319 HD21 -0.10 0.05 -0.08 -0.04 7.03 6.86 2wzaA1 ASN 1319 HD22 -0.11 -0.05 -0.07 -0.04 7.74 7.46 2wzaA1 TYR 1320 H -0.12 0.35 0.20 -0.55 8.29 8.17 2wzaA1 TYR 1320 HA 0.04 0.20 0.69 -0.75 4.56 4.74 2wzaA1 TYR 1320 HB2 -0.03 0.13 0.06 -0.04 3.06 3.18 2wzaA1 TYR 1320 HB3 0.14 -0.04 -0.21 -0.04 2.98 2.82 2wzaA1 TYR 1320 HD2 -0.01 0.01 -0.33 -0.04 7.15 6.78 2wzaA1 TYR 1320 HE2 -0.09 -0.00 -0.16 -0.04 6.85 6.55 2wzaA1 LYS 1321 H 0.12 0.50 0.32 -0.55 8.42 8.81 2wzaA1 LYS 1321 HA -0.38 0.12 0.77 -0.75 4.32 4.08 2wzaA1 LYS 1321 HB2 0.04 -0.02 0.04 -0.04 1.87 1.89 2wzaA1 LYS 1321 HB3 -0.69 0.01 -0.00 -0.04 1.79 1.07 2wzaA1 LYS 1321 HG2 -0.13 0.01 -0.44 -0.04 1.46 0.86 2wzaA1 LYS 1321 HG3 0.01 0.01 -0.09 -0.04 1.46 1.34 2wzaA1 LYS 1321 HD2 -0.19 -0.02 0.03 -0.04 1.69 1.47 2wzaA1 LYS 1321 HD3 -0.25 0.02 0.10 -0.04 1.68 1.52 2wzaA1 LYS 1321 HE2 -0.08 0.00 0.01 -0.04 2.99 2.88 2wzaA1 LYS 1321 HE3 -0.09 0.02 -0.05 -0.04 2.99 2.83 2wzaA1 THR 1322 H -0.45 0.11 0.18 -0.55 8.28 7.57 2wzaA1 THR 1322 HA -0.15 0.37 1.04 -0.75 4.39 4.89 2wzaA1 THR 1322 HB -0.21 -0.07 -0.16 -0.04 4.32 3.84 2wzaA1 THR 1322 HG23 -0.12 0.01 -0.26 -0.04 1.22 0.81 2wzaA1 PHE 1323 H 0.16 0.76 0.34 -0.55 8.34 9.05 2wzaA1 PHE 1323 HA 0.06 0.26 0.95 -0.75 4.62 5.13 2wzaA1 PHE 1323 HB2 0.11 -0.03 -0.08 -0.04 3.15 3.11 2wzaA1 PHE 1323 HB3 0.06 0.08 -0.21 -0.04 3.06 2.94 2wzaA1 PHE 1323 HD2 0.12 0.11 -0.33 -0.04 7.28 7.14 2wzaA1 PHE 1323 HE2 -0.08 -0.02 -0.10 -0.04 7.38 7.13 2wzaA1 PHE 1323 HZ -0.13 -0.02 -0.08 -0.04 7.32 7.05 2wzaA1 SER 1324 H 0.18 0.44 0.18 -0.55 8.46 8.71 2wzaA1 SER 1324 HA 0.01 0.09 0.75 -0.75 4.49 4.58 2wzaA1 SER 1324 HB2 -0.02 0.18 0.11 -0.04 3.95 4.19 2wzaA1 SER 1324 HB3 0.06 -0.01 0.11 -0.04 3.93 4.04 2wzaA1 SER 1325 H -0.06 0.72 0.36 -0.55 8.46 8.94 2wzaA1 SER 1325 HA 0.06 0.12 0.73 -0.75 4.49 4.65 2wzaA1 SER 1325 HB2 -0.01 0.02 -0.19 -0.04 3.95 3.73 2wzaA1 SER 1325 HB3 0.04 0.02 -0.06 -0.04 3.93 3.89 2wzaA1 LEU 1326 H -0.05 0.19 0.09 -0.55 8.37 8.06 2wzaA1 LEU 1326 HA 0.00 0.17 0.78 -0.75 4.35 4.55 2wzaA1 LEU 1326 HB2 -0.04 0.05 -0.17 -0.04 1.64 1.44 2wzaA1 LEU 1326 HB3 -0.00 0.02 0.08 -0.04 1.64 1.70 2wzaA1 LEU 1326 HG -0.03 -0.14 -0.41 -0.04 1.64 1.03 2wzaA1 LEU 1326 HD13 -0.01 -0.00 -0.19 -0.04 0.93 0.68 2wzaA1 LEU 1326 HD23 0.01 0.05 -0.07 -0.04 0.89 0.84 2wzaA1 ASN 1327 H 0.01 0.13 0.13 -0.55 8.53 8.26 2wzaA1 ASN 1327 HA 0.02 0.19 0.73 -0.75 4.76 4.96 2wzaA1 ASN 1327 HB2 0.02 0.02 0.10 -0.04 2.88 2.97 2wzaA1 ASN 1327 HB3 0.02 0.06 -0.05 -0.04 2.79 2.78 2wzaA1 ASN 1327 HD21 0.01 0.02 0.03 -0.04 7.03 7.06 2wzaA1 ASN 1327 HD22 0.01 0.05 0.04 -0.04 7.74 7.80 2wzaA1 LEU 1328 H 0.04 0.72 0.33 -0.55 8.37 8.91 2wzaA1 LEU 1328 HA 0.04 0.27 0.91 -0.75 4.35 4.82 2wzaA1 LEU 1328 HB2 0.09 -0.13 0.11 -0.04 1.64 1.66 2wzaA1 LEU 1328 HB3 0.08 0.06 -0.01 -0.04 1.64 1.73 2wzaA1 LEU 1328 HG 0.01 0.15 -0.05 -0.04 1.64 1.71 2wzaA1 LEU 1328 HD13 0.12 -0.03 -0.02 -0.04 0.93 0.96 2wzaA1 LEU 1328 HD23 -0.10 0.03 -0.15 -0.04 0.89 0.63 2wzaA1 THR 1329 H 0.04 0.26 0.18 -0.55 8.28 8.21 2wzaA1 THR 1329 HA 0.02 0.24 1.00 -0.75 4.39 4.90 2wzaA1 THR 1329 HB 0.02 -0.04 0.13 -0.04 4.32 4.39 2wzaA1 THR 1329 HG23 0.00 0.03 -0.13 -0.04 1.22 1.08 2wzaA1 MET 1330 H 0.01 0.66 0.21 -0.55 8.47 8.80 2wzaA1 MET 1330 HA -0.04 0.13 0.98 -0.75 4.52 4.83 2wzaA1 MET 1330 HB2 0.00 -0.19 0.05 -0.04 2.15 1.98 2wzaA1 MET 1330 HB3 -0.03 0.13 0.16 -0.04 2.03 2.26 2wzaA1 MET 1330 HG2 0.03 0.15 -0.14 -0.04 2.63 2.64 2wzaA1 MET 1330 HG3 0.04 -0.04 -0.11 -0.04 2.56 2.41 2wzaA1 MET 1330 HE3 -0.14 -0.01 -0.19 -0.04 2.10 1.72 2wzaA1 LYS 1331 H -0.04 0.80 0.28 -0.55 8.42 8.91 2wzaA1 LYS 1331 HA -0.02 0.03 0.44 -0.75 4.32 4.01 2wzaA1 LYS 1331 HB2 -0.03 0.02 0.13 -0.04 1.87 1.95 2wzaA1 LYS 1331 HB3 -0.02 -0.00 0.02 -0.04 1.79 1.74 2wzaA1 LYS 1331 HG2 -0.04 -0.10 0.02 -0.04 1.46 1.30 2wzaA1 LYS 1331 HG3 -0.05 0.07 -0.41 -0.04 1.46 1.03 2wzaA1 LYS 1331 HD2 -0.04 0.15 0.03 -0.04 1.69 1.78 2wzaA1 LYS 1331 HD3 -0.03 -0.07 0.00 -0.04 1.68 1.54 2wzaA1 LYS 1331 HE2 -0.03 -0.07 0.02 -0.04 2.99 2.87 2wzaA1 LYS 1331 HE3 -0.04 -0.16 0.01 -0.04 2.99 2.76 2wzaA1 ASP 1332 H -0.01 0.07 -0.17 -0.55 8.40 7.74 2wzaA1 ASP 1332 HA -0.00 0.19 0.66 -0.75 4.63 4.73 2wzaA1 ASP 1332 HB2 0.01 0.04 0.14 -0.04 2.71 2.86 2wzaA1 ASP 1332 HB3 0.00 0.01 0.08 -0.04 2.70 2.75 2wzaA1 GLY 1333 H -0.00 0.45 -0.56 -0.55 8.43 7.78 2wzaA1 GLY 1333 HA2 0.00 0.07 0.28 -0.51 4.01 3.85 2wzaA1 GLY 1333 HA3 0.00 0.12 0.54 -0.51 4.01 4.17 2wzaA1 SER 1334 H 0.01 -0.00 -0.34 -0.55 8.46 7.59 2wzaA1 SER 1334 HA 0.02 0.13 0.60 -0.75 4.49 4.49 2wzaA1 SER 1334 HB2 0.03 0.02 0.08 -0.04 3.95 4.04 2wzaA1 SER 1334 HB3 0.02 0.05 0.05 -0.04 3.93 4.01 2wzaA1 VAL 1335 H 0.03 0.18 0.18 -0.55 8.24 8.08 2wzaA1 VAL 1335 HA 0.03 0.34 1.07 -0.75 4.13 4.82 2wzaA1 VAL 1335 HB 0.03 -0.05 0.10 -0.04 2.12 2.15 2wzaA1 VAL 1335 HG13 0.03 -0.02 -0.27 -0.04 0.97 0.67 2wzaA1 VAL 1335 HG23 0.02 0.02 -0.14 -0.04 0.95 0.82 2wzaA1 ILE 1336 H 0.06 0.70 0.30 -0.55 8.25 8.76 2wzaA1 ILE 1336 HA 0.07 0.13 0.94 -0.75 4.18 4.56 2wzaA1 ILE 1336 HB 0.13 -0.03 0.18 -0.04 1.89 2.13 2wzaA1 ILE 1336 HG12 0.12 0.02 -0.01 -0.04 1.49 1.59 2wzaA1 ILE 1336 HG13 0.12 -0.04 -0.17 -0.04 1.21 1.09 2wzaA1 ILE 1336 HG23 0.11 0.02 -0.11 -0.04 0.93 0.92 2wzaA1 ILE 1336 HD13 0.34 -0.00 -0.06 -0.04 0.88 1.12 2wzaA1 LYS 1337 H 0.05 0.13 0.10 -0.55 8.42 8.15 2wzaA1 LYS 1337 HA 0.03 0.01 0.32 -0.75 4.32 3.92 2wzaA1 LYS 1337 HB2 0.03 0.02 0.03 -0.04 1.87 1.91 2wzaA1 LYS 1337 HB3 0.03 0.04 0.05 -0.04 1.79 1.86 2wzaA1 LYS 1337 HG2 0.03 -0.04 -0.15 -0.04 1.46 1.26 2wzaA1 LYS 1337 HG3 0.03 0.02 0.03 -0.04 1.46 1.50 2wzaA1 LYS 1337 HD2 0.02 0.02 -0.00 -0.04 1.69 1.69 2wzaA1 LYS 1337 HD3 0.02 -0.01 -0.02 -0.04 1.68 1.62 2wzaA1 LYS 1337 HE2 0.02 0.01 -0.01 -0.04 2.99 2.96 2wzaA1 LYS 1337 HE3 0.02 0.01 -0.02 -0.04 2.99 2.96 2wzaA1 ALA 1338 H 0.02 0.03 -0.04 -0.55 8.40 7.87 2wzaA1 ALA 1338 HA 0.03 0.11 -0.00 -0.75 4.34 3.73 2wzaA1 ALA 1338 HB3 0.02 -0.00 -0.18 -0.04 1.41 1.20 2wzaA1 GLY 1339 H 0.07 0.61 0.06 -0.55 8.43 8.63 2wzaA1 GLY 1339 HA2 0.03 0.04 0.28 -0.51 4.01 3.85 2wzaA1 GLY 1339 HA3 0.00 0.07 0.48 -0.51 4.01 4.05 2wzaA1 THR 1340 H 0.11 0.27 -0.17 -0.55 8.28 7.94 2wzaA1 THR 1340 HA 0.12 0.03 0.37 -0.75 4.39 4.16 2wzaA1 THR 1340 HB 0.10 -0.04 0.06 -0.04 4.32 4.40 2wzaA1 THR 1340 HG23 0.06 0.00 -0.12 -0.04 1.22 1.12 2wzaA1 ASP 1341 H 0.15 0.13 0.22 -0.55 8.40 8.35 2wzaA1 ASP 1341 HA -0.21 0.14 0.67 -0.75 4.63 4.47 2wzaA1 ASP 1341 HB2 0.14 0.07 0.19 -0.04 2.71 3.07 2wzaA1 ASP 1341 HB3 -0.00 0.00 0.23 -0.04 2.70 2.89 2wzaA1 LEU 1342 H -0.19 0.85 0.44 -0.55 8.37 8.92 2wzaA1 LEU 1342 HA -0.11 0.20 0.88 -0.75 4.35 4.57 2wzaA1 LEU 1342 HB2 0.09 0.01 -0.15 -0.04 1.64 1.56 2wzaA1 LEU 1342 HB3 -0.02 -0.06 0.09 -0.04 1.64 1.61 2wzaA1 LEU 1342 HG 0.06 0.15 -0.31 -0.04 1.64 1.50 2wzaA1 LEU 1342 HD13 0.23 -0.01 -0.09 -0.04 0.93 1.01 2wzaA1 LEU 1342 HD23 -0.09 0.02 -0.05 -0.04 0.89 0.73 2wzaA1 THR 1343 H -0.24 0.14 0.00 -0.55 8.28 7.64 2wzaA1 THR 1343 HA -0.20 0.04 0.35 -0.75 4.39 3.82 2wzaA1 THR 1343 HB -0.25 0.03 0.11 -0.04 4.32 4.17 2wzaA1 THR 1343 HG23 -0.49 0.04 -0.02 -0.04 1.22 0.71 2wzaA1 SER 1344 H -0.13 0.08 -0.30 -0.55 8.46 7.56 2wzaA1 SER 1344 HA -0.08 0.16 0.44 -0.75 4.49 4.25 2wzaA1 SER 1344 HB2 -0.05 0.03 0.12 -0.04 3.95 4.01 2wzaA1 SER 1344 HB3 -0.08 -0.02 0.07 -0.04 3.93 3.86 2wzaA1 GLN 1345 H -0.15 0.49 -0.45 -0.55 8.47 7.81 2wzaA1 GLN 1345 HA -0.04 0.14 0.86 -0.75 4.36 4.56 2wzaA1 GLN 1345 HB2 -0.29 0.11 0.08 -0.04 2.15 2.01 2wzaA1 GLN 1345 HB3 -0.31 -0.11 0.22 -0.04 2.02 1.77 2wzaA1 GLN 1345 HG2 -0.29 -0.06 -0.06 -0.04 2.40 1.95 2wzaA1 GLN 1345 HG3 -1.08 0.00 0.01 -0.04 2.39 1.27 2wzaA1 GLN 1345 HE21 0.03 0.01 -0.05 -0.04 6.97 6.92 2wzaA1 GLN 1345 HE22 -0.07 -0.00 -0.06 -0.04 7.69 7.51 2wzaA1 THR 1346 H -0.07 0.43 -0.28 -0.55 8.28 7.81 2wzaA1 THR 1346 HA -0.04 0.10 1.05 -0.75 4.39 4.74 2wzaA1 THR 1346 HB -0.12 0.03 -0.03 -0.04 4.32 4.15 2wzaA1 THR 1346 HG23 -0.73 -0.02 -0.26 -0.04 1.22 0.16 2wzaA1 THR 1347 H 0.02 0.62 0.35 -0.55 8.28 8.73 2wzaA1 THR 1347 HA 0.07 0.20 0.77 -0.75 4.39 4.68 2wzaA1 THR 1347 HB 0.04 0.00 0.09 -0.04 4.32 4.42 2wzaA1 THR 1347 HG23 0.04 -0.00 -0.14 -0.04 1.22 1.09 2wzaA1 ALA 1348 H 0.06 0.24 0.19 -0.55 8.40 8.34 2wzaA1 ALA 1348 HA -0.08 0.37 1.19 -0.75 4.34 5.07 2wzaA1 ALA 1348 HB3 -0.10 -0.00 -0.06 -0.04 1.41 1.21 2wzaA1 GLU 1349 H -0.03 0.54 0.37 -0.55 8.60 8.94 2wzaA1 GLU 1349 HA 0.03 0.17 0.96 -0.75 4.29 4.69 2wzaA1 GLU 1349 HB2 0.00 -0.09 0.06 -0.04 2.09 2.02 2wzaA1 GLU 1349 HB3 0.01 0.08 0.04 -0.04 1.99 2.08 2wzaA1 GLU 1349 HG2 0.02 0.04 -0.06 -0.04 2.34 2.30 2wzaA1 GLU 1349 HG3 0.01 -0.03 -0.07 -0.04 2.34 2.22 2wzaA1 THR 1350 H 0.05 0.19 0.19 -0.55 8.28 8.15 2wzaA1 THR 1350 HA 0.05 0.29 1.10 -0.75 4.39 5.08 2wzaA1 THR 1350 HB 0.17 -0.07 0.09 -0.04 4.32 4.48 2wzaA1 THR 1350 HG23 0.23 0.00 -0.17 -0.04 1.22 1.24 2wzaA1 ASP 1351 H 0.10 0.29 0.05 -0.55 8.40 8.29 2wzaA1 ASP 1351 HA 0.04 0.07 0.53 -0.75 4.63 4.51 2wzaA1 ASP 1351 HB2 0.01 0.17 -0.10 -0.04 2.71 2.75 2wzaA1 ASP 1351 HB3 -0.00 0.04 0.07 -0.04 2.70 2.76 2wzaA1 ALA 1352 H 0.06 0.21 0.11 -0.55 8.40 8.25 2wzaA1 ALA 1352 HA 0.15 0.08 0.44 -0.75 4.34 4.26 2wzaA1 ALA 1352 HB3 0.08 0.04 0.11 -0.04 1.41 1.59 2wzaA1 THR 1353 H 0.03 0.01 -0.17 -0.55 8.28 7.60 2wzaA1 THR 1353 HA 0.02 0.15 0.43 -0.75 4.39 4.23 2wzaA1 THR 1353 HB 0.00 -0.09 0.10 -0.04 4.32 4.29 2wzaA1 THR 1353 HG23 0.00 0.03 -0.14 -0.04 1.22 1.07 2wzaA1 ASN 1354 H -0.02 0.02 -0.11 -0.55 8.53 7.88 2wzaA1 ASN 1354 HA -0.05 0.17 0.63 -0.75 4.76 4.75 2wzaA1 ASN 1354 HB2 -0.05 -0.03 -0.04 -0.04 2.88 2.72 2wzaA1 ASN 1354 HB3 -0.06 0.05 0.10 -0.04 2.79 2.83 2wzaA1 ASN 1354 HD21 -0.01 -0.00 -0.02 -0.04 7.03 6.95 2wzaA1 ASN 1354 HD22 -0.03 0.03 -0.00 -0.04 7.74 7.70 2wzaA1 GLY 1355 H -0.07 0.07 -0.75 -0.55 8.43 7.13 2wzaA1 GLY 1355 HA2 -0.21 -0.03 0.35 -0.51 4.01 3.61 2wzaA1 GLY 1355 HA3 -0.58 0.02 0.34 -0.51 4.01 3.28 2wzaA1 ILE 1356 H -0.08 0.34 0.13 -0.55 8.25 8.09 2wzaA1 ILE 1356 HA -0.18 0.26 0.94 -0.75 4.18 4.46 2wzaA1 ILE 1356 HB -0.04 -0.10 -0.15 -0.04 1.89 1.56 2wzaA1 ILE 1356 HG12 -0.16 0.24 -0.23 -0.04 1.49 1.31 2wzaA1 ILE 1356 HG13 -0.11 -0.11 -0.60 -0.04 1.21 0.35 2wzaA1 ILE 1356 HG23 -0.02 -0.02 -0.25 -0.04 0.93 0.60 2wzaA1 ILE 1356 HD13 -0.05 -0.02 -0.11 -0.04 0.88 0.66 2wzaA1 VAL 1357 H 0.07 0.57 0.29 -0.55 8.24 8.62 2wzaA1 VAL 1357 HA -0.04 0.30 0.95 -0.75 4.13 4.59 2wzaA1 VAL 1357 HB -0.33 -0.04 -0.01 -0.04 2.12 1.70 2wzaA1 VAL 1357 HG13 -0.26 -0.01 -0.01 -0.04 0.97 0.65 2wzaA1 VAL 1357 HG23 -0.44 0.01 -0.15 -0.04 0.95 0.32 2wzaA1 THR 1358 H -0.07 0.65 0.34 -0.55 8.28 8.65 2wzaA1 THR 1358 HA -0.01 0.32 1.16 -0.75 4.39 5.10 2wzaA1 THR 1358 HB -0.01 -0.07 0.10 -0.04 4.32 4.30 2wzaA1 THR 1358 HG23 0.03 -0.00 -0.20 -0.04 1.22 1.01 2wzaA1 VAL 1359 H 0.03 0.64 0.35 -0.55 8.24 8.72 2wzaA1 VAL 1359 HA -0.17 0.33 1.11 -0.75 4.13 4.65 2wzaA1 VAL 1359 HB -0.15 -0.04 0.12 -0.04 2.12 2.01 2wzaA1 VAL 1359 HG13 -0.24 0.00 -0.20 -0.04 0.97 0.49 2wzaA1 VAL 1359 HG23 -0.79 -0.01 -0.22 -0.04 0.95 -0.11 2wzaA1 ARG 1360 H 0.00 0.79 0.34 -0.55 8.46 9.04 2wzaA1 ARG 1360 HA 0.17 0.07 1.00 -0.75 4.34 4.83 2wzaA1 ARG 1360 HB2 0.07 -0.04 0.03 -0.04 1.90 1.91 2wzaA1 ARG 1360 HB3 0.11 0.10 -0.02 -0.04 1.80 1.95 2wzaA1 ARG 1360 HG2 0.07 -0.05 -0.23 -0.04 1.67 1.42 2wzaA1 ARG 1360 HG3 0.04 0.01 -0.23 -0.04 1.67 1.45 2wzaA1 ARG 1360 HD2 0.05 0.01 -0.10 -0.04 3.22 3.14 2wzaA1 ARG 1360 HD3 0.06 0.02 -0.08 -0.04 3.22 3.18 2wzaA1 PHE 1361 H 0.43 0.45 0.25 -0.55 8.34 8.92 2wzaA1 PHE 1361 HA 0.18 0.19 0.90 -0.75 4.62 5.14 2wzaA1 PHE 1361 HB2 0.24 -0.04 0.15 -0.04 3.15 3.46 2wzaA1 PHE 1361 HB3 0.24 0.06 -0.04 -0.04 3.06 3.28 2wzaA1 PHE 1361 HD2 0.41 0.15 0.04 -0.04 7.28 7.83 2wzaA1 PHE 1361 HE2 0.31 -0.03 -0.13 -0.04 7.38 7.48 2wzaA1 PHE 1361 HZ 0.19 -0.04 -0.21 -0.04 7.32 7.21 2wzaA1 LYS 1362 H 0.27 0.72 0.29 -0.55 8.42 9.14 2wzaA1 LYS 1362 HA 0.14 0.07 0.51 -0.75 4.32 4.28 2wzaA1 LYS 1362 HB2 0.20 -0.04 0.12 -0.04 1.87 2.11 2wzaA1 LYS 1362 HB3 0.12 -0.11 0.04 -0.04 1.79 1.81 2wzaA1 LYS 1362 HG2 0.08 -0.01 -0.13 -0.04 1.46 1.37 2wzaA1 LYS 1362 HG3 0.09 0.09 -0.42 -0.04 1.46 1.18 2wzaA1 LYS 1362 HD2 0.07 -0.01 0.01 -0.04 1.69 1.73 2wzaA1 LYS 1362 HD3 0.07 -0.06 -0.02 -0.04 1.68 1.63 2wzaA1 LYS 1362 HE2 0.04 -0.07 -0.07 -0.04 2.99 2.84 2wzaA1 LYS 1362 HE3 0.03 0.14 -0.22 -0.04 2.99 2.90 2wzaA1 GLU 1363 H 0.10 0.17 0.18 -0.55 8.60 8.50 2wzaA1 GLU 1363 HA 0.07 0.13 0.37 -0.75 4.29 4.11 2wzaA1 GLU 1363 HB2 0.06 0.08 0.17 -0.04 2.09 2.36 2wzaA1 GLU 1363 HB3 0.05 -0.04 0.10 -0.04 1.99 2.06 2wzaA1 GLU 1363 HG2 0.02 -0.02 -0.05 -0.04 2.34 2.25 2wzaA1 GLU 1363 HG3 0.02 0.06 0.14 -0.04 2.34 2.53 2wzaA1 ASP 1364 H 0.09 0.07 -0.12 -0.55 8.40 7.88 2wzaA1 ASP 1364 HA 0.05 0.10 0.39 -0.75 4.63 4.42 2wzaA1 ASP 1364 HB2 0.10 -0.04 0.03 -0.04 2.71 2.75 2wzaA1 ASP 1364 HB3 0.08 0.06 -0.05 -0.04 2.70 2.75 2wzaA1 PHE 1365 H 0.26 0.12 -0.36 -0.55 8.34 7.81 2wzaA1 PHE 1365 HA 0.04 0.09 0.58 -0.75 4.62 4.58 2wzaA1 PHE 1365 HB2 0.12 -0.03 0.10 -0.04 3.15 3.29 2wzaA1 PHE 1365 HB3 0.16 0.15 0.14 -0.04 3.06 3.47 2wzaA1 PHE 1365 HD2 0.10 0.01 -0.05 -0.04 7.28 7.30 2wzaA1 PHE 1365 HE2 0.07 -0.01 -0.07 -0.04 7.38 7.32 2wzaA1 PHE 1365 HZ 0.11 -0.01 -0.07 -0.04 7.32 7.31 2wzaA1 LEU 1366 H 0.09 0.41 -0.08 -0.55 8.37 8.24 2wzaA1 LEU 1366 HA -0.46 -0.01 0.32 -0.75 4.35 3.45 2wzaA1 LEU 1366 HB2 -0.06 0.08 0.03 -0.04 1.64 1.65 2wzaA1 LEU 1366 HB3 -0.22 0.06 -0.12 -0.04 1.64 1.32 2wzaA1 LEU 1366 HG 0.09 0.11 -0.16 -0.04 1.64 1.64 2wzaA1 LEU 1366 HD13 0.04 -0.03 -0.46 -0.04 0.93 0.43 2wzaA1 LEU 1366 HD23 -0.70 -0.02 -0.10 -0.04 0.89 0.03 2wzaA1 GLN 1367 H -0.06 0.49 -0.28 -0.55 8.47 8.08 2wzaA1 GLN 1367 HA -0.07 0.02 0.41 -0.75 4.36 3.97 2wzaA1 GLN 1367 HB2 -0.02 0.12 0.04 -0.04 2.15 2.24 2wzaA1 GLN 1367 HB3 -0.03 -0.06 0.06 -0.04 2.02 1.95 2wzaA1 GLN 1367 HG2 -0.02 -0.06 0.01 -0.04 2.40 2.29 2wzaA1 GLN 1367 HG3 -0.01 0.20 0.06 -0.04 2.39 2.59 2wzaA1 GLN 1367 HE21 0.02 -0.05 -0.10 -0.04 6.97 6.80 2wzaA1 GLN 1367 HE22 0.01 -0.00 -0.09 -0.04 7.69 7.56 2wzaA1 LYS 1368 H -0.20 0.46 -0.55 -0.55 8.42 7.58 2wzaA1 LYS 1368 HA -0.08 0.09 0.61 -0.75 4.32 4.19 2wzaA1 LYS 1368 HB2 -0.25 0.23 0.12 -0.04 1.87 1.93 2wzaA1 LYS 1368 HB3 -0.09 -0.19 0.10 -0.04 1.79 1.57 2wzaA1 LYS 1368 HG2 -0.02 -0.04 0.01 -0.04 1.46 1.36 2wzaA1 LYS 1368 HG3 -0.02 0.22 0.06 -0.04 1.46 1.68 2wzaA1 LYS 1368 HD2 0.03 -0.07 0.02 -0.04 1.69 1.62 2wzaA1 LYS 1368 HD3 0.03 -0.03 0.01 -0.04 1.68 1.65 2wzaA1 LYS 1368 HE2 0.12 0.12 0.04 -0.04 2.99 3.23 2wzaA1 LYS 1368 HE3 0.21 -0.05 -0.01 -0.04 2.99 3.10 2wzaA1 ILE 1369 H -0.24 0.45 -0.27 -0.55 8.25 7.64 2wzaA1 ILE 1369 HA -0.12 -0.01 0.53 -0.75 4.18 3.83 2wzaA1 ILE 1369 HB -0.16 0.03 0.07 -0.04 1.89 1.79 2wzaA1 ILE 1369 HG12 -0.47 0.12 0.13 -0.04 1.49 1.23 2wzaA1 ILE 1369 HG13 -0.51 -0.08 0.02 -0.04 1.21 0.60 2wzaA1 ILE 1369 HG23 0.03 0.04 -0.07 -0.04 0.93 0.89 2wzaA1 ILE 1369 HD13 -0.37 -0.04 -0.12 -0.04 0.88 0.31 2wzaA1 SER 1370 H -0.03 0.45 0.35 -0.55 8.46 8.68 2wzaA1 SER 1370 HA -0.04 0.05 0.52 -0.75 4.49 4.26 2wzaA1 SER 1370 HB2 -0.02 0.08 -0.26 -0.04 3.95 3.71 2wzaA1 SER 1370 HB3 -0.01 0.10 0.03 -0.04 3.93 4.01 2wzaA1 LEU 1371 H -0.09 0.15 0.16 -0.55 8.37 8.04 2wzaA1 LEU 1371 HA -0.57 0.14 0.41 -0.75 4.35 3.58 2wzaA1 LEU 1371 HB2 -0.15 -0.07 0.07 -0.04 1.64 1.45 2wzaA1 LEU 1371 HB3 -0.30 0.23 0.03 -0.04 1.64 1.55 2wzaA1 LEU 1371 HG -0.08 -0.04 0.01 -0.04 1.64 1.48 2wzaA1 LEU 1371 HD13 -0.06 0.01 -0.11 -0.04 0.93 0.73 2wzaA1 LEU 1371 HD23 -0.04 -0.01 -0.35 -0.04 0.89 0.45 2wzaA1 ASP 1372 H -0.09 0.01 -0.35 -0.55 8.40 7.42 2wzaA1 ASP 1372 HA -0.09 -0.06 0.72 -0.75 4.63 4.45 2wzaA1 ASP 1372 HB2 -0.04 0.00 0.02 -0.04 2.71 2.65 2wzaA1 ASP 1372 HB3 -0.03 0.02 0.13 -0.04 2.70 2.78 2wzaA1 SER 1373 H 0.00 0.46 -0.40 -0.55 8.46 7.98 2wzaA1 SER 1373 HA 0.04 0.12 0.88 -0.75 4.49 4.78 2wzaA1 SER 1373 HB2 0.03 -0.05 0.21 -0.04 3.95 4.10 2wzaA1 SER 1373 HB3 0.08 0.18 0.16 -0.04 3.93 4.30 2wzaA1 PRO 1374 HA 0.12 0.33 0.42 -0.51 4.44 4.80 2wzaA1 PRO 1374 HB2 0.03 -0.01 -0.02 -0.04 2.28 2.25 2wzaA1 PRO 1374 HB3 0.05 -0.11 0.11 -0.04 2.02 2.03 2wzaA1 PRO 1374 HG2 0.03 0.08 0.00 -0.04 2.03 2.10 2wzaA1 PRO 1374 HG3 0.03 -0.01 0.07 -0.04 2.03 2.08 2wzaA1 PRO 1374 HD2 0.04 0.03 0.30 -0.04 3.68 4.02 2wzaA1 PRO 1374 HD3 0.04 0.10 0.21 -0.04 3.65 3.96 2wzaA1 PHE 1375 H 0.09 0.61 0.25 -0.55 8.34 8.73 2wzaA1 PHE 1375 HA -0.09 0.08 0.54 -0.75 4.62 4.39 2wzaA1 PHE 1375 HB2 -0.15 0.16 -0.15 -0.04 3.15 2.96 2wzaA1 PHE 1375 HB3 -0.21 -0.05 0.05 -0.04 3.06 2.81 2wzaA1 PHE 1375 HD2 -0.43 0.04 -0.14 -0.04 7.28 6.70 2wzaA1 PHE 1375 HE2 -1.24 -0.02 -0.10 -0.04 7.38 5.97 2wzaA1 PHE 1375 HZ -1.70 -0.03 -0.12 -0.04 7.32 5.44 2wzaA1 GLN 1376 H -0.76 0.26 0.11 -0.55 8.47 7.54 2wzaA1 GLN 1376 HA -0.14 0.20 0.49 -0.75 4.36 4.15 2wzaA1 GLN 1376 HB2 -0.01 0.06 -0.12 -0.04 2.15 2.04 2wzaA1 GLN 1376 HB3 -0.07 -0.12 -0.10 -0.04 2.02 1.69 2wzaA1 GLN 1376 HG2 0.07 -0.07 -0.24 -0.04 2.40 2.12 2wzaA1 GLN 1376 HG3 0.13 0.24 -0.31 -0.04 2.39 2.41 2wzaA1 GLN 1376 HE21 0.05 -0.05 -0.08 -0.04 6.97 6.85 2wzaA1 GLN 1376 HE22 0.09 0.57 -0.11 -0.04 7.69 8.20 2wzaA1 ALA 1377 H 0.16 0.28 0.19 -0.55 8.40 8.49 2wzaA1 ALA 1377 HA 0.07 0.14 0.99 -0.75 4.34 4.79 2wzaA1 ALA 1377 HB3 0.40 0.00 -0.08 -0.04 1.41 1.69 2wzaA1 GLU 1378 H 0.26 0.67 0.33 -0.55 8.60 9.32 2wzaA1 GLU 1378 HA 0.25 0.31 0.89 -0.75 4.29 4.99 2wzaA1 GLU 1378 HB2 0.01 0.03 -0.11 -0.04 2.09 1.98 2wzaA1 GLU 1378 HB3 0.14 -0.02 -0.08 -0.04 1.99 2.00 2wzaA1 GLU 1378 HG2 0.24 0.06 -0.06 -0.04 2.34 2.54 2wzaA1 GLU 1378 HG3 0.34 -0.05 -0.20 -0.04 2.34 2.40 2wzaA1 THR 1379 H -0.32 0.61 0.31 -0.55 8.28 8.33 2wzaA1 THR 1379 HA -0.11 0.29 1.11 -0.75 4.39 4.94 2wzaA1 THR 1379 HB -0.99 -0.01 0.09 -0.04 4.32 3.36 2wzaA1 THR 1379 HG23 -0.27 -0.01 -0.26 -0.04 1.22 0.64 2wzaA1 TYR 1380 H 0.31 0.55 0.29 -0.55 8.29 8.89 2wzaA1 TYR 1380 HA 0.02 0.30 0.94 -0.75 4.56 5.08 2wzaA1 TYR 1380 HB2 0.13 -0.10 0.11 -0.04 3.06 3.16 2wzaA1 TYR 1380 HB3 0.06 0.02 -0.21 -0.04 2.98 2.82 2wzaA1 TYR 1380 HD2 0.19 -0.01 -0.26 -0.04 7.15 7.03 2wzaA1 TYR 1380 HE2 0.05 0.06 -0.19 -0.04 6.85 6.72 2wzaA1 LEU 1381 H 0.06 0.70 0.23 -0.55 8.37 8.81 2wzaA1 LEU 1381 HA 0.15 0.13 0.85 -0.75 4.35 4.73 2wzaA1 LEU 1381 HB2 0.03 -0.05 0.17 -0.04 1.64 1.75 2wzaA1 LEU 1381 HB3 -0.06 0.02 -0.04 -0.04 1.64 1.52 2wzaA1 LEU 1381 HG -0.13 0.04 -0.16 -0.04 1.64 1.34 2wzaA1 LEU 1381 HD13 -0.15 -0.01 -0.10 -0.04 0.93 0.63 2wzaA1 LEU 1381 HD23 -0.27 0.00 -0.17 -0.04 0.89 0.41 2wzaA1 GLN 1382 H 0.15 0.52 0.27 -0.55 8.47 8.87 2wzaA1 GLN 1382 HA -0.11 0.24 1.02 -0.75 4.36 4.76 2wzaA1 GLN 1382 HB2 -0.01 -0.04 0.04 -0.04 2.15 2.09 2wzaA1 GLN 1382 HB3 -0.07 -0.12 0.19 -0.04 2.02 1.98 2wzaA1 GLN 1382 HG2 -0.14 0.09 -0.05 -0.04 2.40 2.26 2wzaA1 GLN 1382 HG3 -0.08 0.04 -0.01 -0.04 2.39 2.30 2wzaA1 GLN 1382 HE21 -0.05 -0.02 -0.04 -0.04 6.97 6.82 2wzaA1 GLN 1382 HE22 -0.04 0.02 -0.06 -0.04 7.69 7.57 2wzaA1 MET 1383 H -0.50 0.97 0.48 -0.55 8.47 8.88 2wzaA1 MET 1383 HA -0.31 0.16 1.00 -0.75 4.52 4.61 2wzaA1 MET 1383 HB2 -2.11 -0.03 -0.18 -0.04 2.15 -0.22 2wzaA1 MET 1383 HB3 -0.70 -0.01 -0.08 -0.04 2.03 1.19 2wzaA1 MET 1383 HG2 -0.64 0.09 -0.20 -0.04 2.63 1.84 2wzaA1 MET 1383 HG3 -0.85 -0.03 -0.21 -0.04 2.56 1.42 2wzaA1 MET 1383 HE3 -0.59 0.00 -0.38 -0.04 2.10 1.09 2wzaA1 ARG 1384 H -0.23 0.61 0.32 -0.55 8.46 8.60 2wzaA1 ARG 1384 HA -0.03 0.31 0.79 -0.75 4.34 4.65 2wzaA1 ARG 1384 HB2 -0.07 -0.04 -0.06 -0.04 1.90 1.69 2wzaA1 ARG 1384 HB3 -0.00 -0.07 -0.10 -0.04 1.80 1.59 2wzaA1 ARG 1384 HG2 0.10 0.05 -0.19 -0.04 1.67 1.58 2wzaA1 ARG 1384 HG3 0.02 0.06 -0.15 -0.04 1.67 1.56 2wzaA1 ARG 1384 HD2 0.00 -0.04 -0.10 -0.04 3.22 3.03 2wzaA1 ARG 1384 HD3 0.03 0.02 -0.06 -0.04 3.22 3.17 2wzaA1 ARG 1385 H 0.21 0.54 0.12 -0.55 8.46 8.78 2wzaA1 ARG 1385 HA 0.09 0.26 0.78 -0.75 4.34 4.72 2wzaA1 ARG 1385 HB2 0.14 -0.04 -0.03 -0.04 1.90 1.93 2wzaA1 ARG 1385 HB3 0.09 0.07 0.15 -0.04 1.80 2.07 2wzaA1 ARG 1385 HG2 0.01 0.02 -0.25 -0.04 1.67 1.41 2wzaA1 ARG 1385 HG3 -0.02 -0.14 -0.19 -0.04 1.67 1.28 2wzaA1 ARG 1385 HD2 0.17 0.04 -0.04 -0.04 3.22 3.36 2wzaA1 ARG 1385 HD3 -0.08 -0.04 0.17 -0.04 3.22 3.22 2wzaA1 ILE 1386 H -0.07 0.70 0.23 -0.55 8.25 8.56 2wzaA1 ILE 1386 HA 0.02 0.12 0.97 -0.75 4.18 4.53 2wzaA1 ILE 1386 HB 0.08 -0.02 0.07 -0.04 1.89 1.97 2wzaA1 ILE 1386 HG12 -0.03 -0.02 -0.51 -0.04 1.49 0.89 2wzaA1 ILE 1386 HG13 -0.05 0.11 -0.42 -0.04 1.21 0.81 2wzaA1 ILE 1386 HG23 0.08 0.01 -0.32 -0.04 0.93 0.66 2wzaA1 ILE 1386 HD13 0.02 0.03 -0.19 -0.04 0.88 0.70 2wzaA1 ALA 1387 H -0.06 0.24 0.14 -0.55 8.40 8.16 2wzaA1 ALA 1387 HA 0.00 0.07 0.57 -0.75 4.34 4.23 2wzaA1 ALA 1387 HB3 0.06 0.04 0.07 -0.04 1.41 1.54 2wzaA1 ILE 1388 H 0.07 0.12 0.17 -0.55 8.25 8.06 2wzaA1 ILE 1388 HA 0.09 0.07 0.79 -0.75 4.18 4.37 2wzaA1 ILE 1388 HB 0.03 -0.02 0.17 -0.04 1.89 2.03 2wzaA1 ILE 1388 HG12 -0.01 -0.01 0.09 -0.04 1.49 1.52 2wzaA1 ILE 1388 HG13 -0.03 -0.06 -0.05 -0.04 1.21 1.04 2wzaA1 ILE 1388 HG23 0.01 0.06 -0.02 -0.04 0.93 0.94 2wzaA1 ILE 1388 HD13 -0.01 0.00 0.03 -0.04 0.88 0.86 2wzaA1 GLY 1389 H 0.03 0.49 0.26 -0.55 8.43 8.66 2wzaA1 GLY 1389 HA2 -0.14 0.01 0.28 -0.51 4.01 3.64 2wzaA1 GLY 1389 HA3 -0.33 0.20 0.82 -0.51 4.01 4.19 2wzaA1 THR 1390 H -0.52 0.22 0.17 -0.55 8.28 7.60 2wzaA1 THR 1390 HA -0.20 0.31 1.15 -0.75 4.39 4.90 2wzaA1 THR 1390 HB -0.19 -0.03 0.14 -0.04 4.32 4.20 2wzaA1 THR 1390 HG23 -0.07 0.01 -0.16 -0.04 1.22 0.95 2wzaA1 PHE 1391 H 0.04 0.62 0.32 -0.55 8.34 8.76 2wzaA1 PHE 1391 HA 0.05 0.13 0.98 -0.75 4.62 5.02 2wzaA1 PHE 1391 HB2 0.10 -0.00 -0.03 -0.04 3.15 3.17 2wzaA1 PHE 1391 HB3 0.12 0.01 -0.00 -0.04 3.06 3.15 2wzaA1 PHE 1391 HD2 0.05 0.01 -0.14 -0.04 7.28 7.16 2wzaA1 PHE 1391 HE2 0.03 0.06 -0.38 -0.04 7.38 7.05 2wzaA1 PHE 1391 HZ 0.03 0.18 -0.33 -0.04 7.32 7.15 2wzaA1 GLU 1392 H 0.19 0.13 0.21 -0.55 8.60 8.57 2wzaA1 GLU 1392 HA 0.09 0.32 0.98 -0.75 4.29 4.93 2wzaA1 GLU 1392 HB2 0.07 -0.06 0.10 -0.04 2.09 2.16 2wzaA1 GLU 1392 HB3 0.05 0.02 -0.05 -0.04 1.99 1.97 2wzaA1 GLU 1392 HG2 0.03 0.12 -0.04 -0.04 2.34 2.42 2wzaA1 GLU 1392 HG3 0.03 -0.07 -0.11 -0.04 2.34 2.15 2wzaA1 ASN 1393 H 0.02 0.63 0.28 -0.55 8.53 8.92 2wzaA1 ASN 1393 HA 0.01 0.12 0.64 -0.75 4.76 4.78 2wzaA1 ASN 1393 HB2 -0.11 0.02 -0.30 -0.04 2.88 2.45 2wzaA1 ASN 1393 HB3 -0.41 -0.05 -0.09 -0.04 2.79 2.20 2wzaA1 THR 1394 H 0.00 0.39 0.19 -0.55 8.28 8.31 2wzaA1 THR 1394 HA 0.01 0.26 0.76 -0.75 4.39 4.66 2wzaA1 THR 1394 HB 0.00 -0.02 -0.05 -0.04 4.32 4.21 2wzaA1 THR 1394 HG23 -0.03 0.06 -0.11 -0.04 1.22 1.10 2wzaA1 TYR 1395 H 0.07 0.25 0.18 -0.55 8.29 8.25 2wzaA1 TYR 1395 HA 0.00 0.22 1.01 -0.75 4.56 5.03 2wzaA1 TYR 1395 HB2 0.03 0.04 -0.04 -0.04 3.06 3.06 2wzaA1 TYR 1395 HB3 -0.01 -0.06 -0.18 -0.04 2.98 2.69 2wzaA1 TYR 1395 HD2 0.06 -0.03 -0.16 -0.04 7.15 6.98 2wzaA1 TYR 1395 HE2 0.02 0.11 -0.13 -0.04 6.85 6.81 2wzaA1 VAL 1396 H 0.10 0.71 0.37 -0.55 8.24 8.87 2wzaA1 VAL 1396 HA -0.30 0.30 0.98 -0.75 4.13 4.35 2wzaA1 VAL 1396 HB -0.02 -0.04 0.10 -0.04 2.12 2.12 2wzaA1 VAL 1396 HG13 -0.07 -0.02 -0.33 -0.04 0.97 0.51 2wzaA1 VAL 1396 HG23 -0.07 0.00 -0.20 -0.04 0.95 0.65 2wzaA1 ASN 1397 H -0.33 0.80 0.31 -0.55 8.53 8.77 2wzaA1 ASN 1397 HA -0.10 0.31 1.00 -0.75 4.76 5.22 2wzaA1 ASN 1397 HB2 -0.13 -0.00 0.09 -0.04 2.88 2.80 2wzaA1 ASN 1397 HB3 -0.17 0.07 0.23 -0.04 2.79 2.88 2wzaA1 ASN 1397 HD21 -1.42 -0.10 -0.03 -0.04 7.03 5.43 2wzaA1 ASN 1397 HD22 -0.57 0.54 0.26 -0.04 7.74 7.93 2wzaA1 THR 1398 H -0.12 0.26 0.11 -0.55 8.28 7.99 2wzaA1 THR 1398 HA -0.01 0.44 1.00 -0.75 4.39 5.07 2wzaA1 THR 1398 HB -0.02 -0.05 -0.20 -0.04 4.32 4.00 2wzaA1 THR 1398 HG23 -0.03 0.02 -0.26 -0.04 1.22 0.90 2wzaA1 VAL 1399 H 0.10 0.80 0.16 -0.55 8.24 8.75 2wzaA1 VAL 1399 HA -0.00 0.27 0.95 -0.75 4.13 4.59 2wzaA1 VAL 1399 HB 0.18 0.07 0.12 -0.04 2.12 2.45 2wzaA1 VAL 1399 HG13 0.07 0.01 -0.06 -0.04 0.97 0.95 2wzaA1 VAL 1399 HG23 -0.20 -0.00 -0.20 -0.04 0.95 0.51 2wzaA1 ASN 1400 H 0.04 0.62 0.26 -0.55 8.53 8.91 2wzaA1 ASN 1400 HA 0.02 -0.09 0.36 -0.75 4.76 4.30 2wzaA1 ASN 1400 HB2 0.04 0.15 -0.02 -0.04 2.88 3.00 2wzaA1 ASN 1400 HB3 0.03 0.05 0.18 -0.04 2.79 3.01 2wzaA1 ASN 1400 HD21 0.01 0.39 0.13 -0.04 7.03 7.51 2wzaA1 ASN 1400 HD22 0.03 0.00 0.01 -0.04 7.74 7.74 2wzaA1 LYS 1401 H 0.01 -0.00 -0.38 -0.55 8.42 7.50 2wzaA1 LYS 1401 HA -0.01 -0.06 0.12 -0.75 4.32 3.62 2wzaA1 LYS 1401 HB2 -0.00 0.22 -0.32 -0.04 1.87 1.73 2wzaA1 LYS 1401 HB3 -0.01 0.00 0.06 -0.04 1.79 1.81 2wzaA1 LYS 1401 HG2 0.01 -0.12 -0.24 -0.04 1.46 1.08 2wzaA1 LYS 1401 HG3 0.01 0.05 -0.12 -0.04 1.46 1.35 2wzaA1 LYS 1401 HD2 0.00 0.04 -0.05 -0.04 1.69 1.63 2wzaA1 LYS 1401 HD3 0.01 -0.06 -0.08 -0.04 1.68 1.51 2wzaA1 LYS 1401 HE2 0.02 -0.02 -0.10 -0.04 2.99 2.85 2wzaA1 LYS 1401 HE3 0.01 0.04 -0.07 -0.04 2.99 2.93 2wzaA1 VAL 1402 H 0.01 0.48 -0.62 -0.55 8.24 7.56 2wzaA1 VAL 1402 HA -0.12 0.10 0.87 -0.75 4.13 4.22 2wzaA1 VAL 1402 HB 0.01 0.12 0.09 -0.04 2.12 2.30 2wzaA1 VAL 1402 HG13 -0.50 -0.02 -0.12 -0.04 0.97 0.28 2wzaA1 VAL 1402 HG23 -0.03 0.04 -0.14 -0.04 0.95 0.78 2wzaA1 ALA 1403 H -0.21 0.16 0.08 -0.55 8.40 7.88 2wzaA1 ALA 1403 HA -0.11 0.13 0.64 -0.75 4.34 4.25 2wzaA1 ALA 1403 HB3 -0.11 -0.01 -0.05 -0.04 1.41 1.20 2wzaA1 TYR 1404 H 0.02 0.67 0.29 -0.55 8.29 8.72 2wzaA1 TYR 1404 HA -0.08 0.15 0.95 -0.75 4.56 4.82 2wzaA1 TYR 1404 HB2 -0.14 -0.08 0.17 -0.04 3.06 2.98 2wzaA1 TYR 1404 HB3 -0.09 0.16 0.03 -0.04 2.98 3.03 2wzaA1 TYR 1404 HD2 -0.07 0.11 -0.01 -0.04 7.15 7.14 2wzaA1 TYR 1404 HE2 -0.02 -0.04 -0.13 -0.04 6.85 6.62 2wzaA1 ALA 1405 H -0.03 0.17 0.16 -0.55 8.40 8.15 2wzaA1 ALA 1405 HA -0.18 0.08 0.75 -0.75 4.34 4.24 2wzaA1 ALA 1405 HB3 -0.06 0.00 0.07 -0.04 1.41 1.38 2wzaA1 SER 1406 H -0.30 0.50 0.36 -0.55 8.46 8.47 2wzaA1 SER 1406 HA -0.07 0.34 0.64 -0.75 4.49 4.64 2wzaA1 SER 1406 HB2 0.07 -0.15 -0.09 -0.04 3.95 3.75 2wzaA1 SER 1406 HB3 -0.28 -0.04 -0.06 -0.04 3.93 3.51 2wzaA1 ASN 1407 H 0.01 0.13 0.21 -0.55 8.53 8.33 2wzaA1 ASN 1407 HA 0.00 0.09 0.63 -0.75 4.76 4.72 2wzaA1 ASN 1407 HB2 0.02 0.04 0.10 -0.04 2.88 2.99 2wzaA1 ASN 1407 HB3 0.01 0.05 0.18 -0.04 2.79 2.99 2wzaA1 ASN 1407 HD21 0.04 0.34 0.08 -0.04 7.03 7.45 2wzaA1 ASN 1407 HD22 0.03 0.07 -0.22 -0.04 7.74 7.57 2wzaA1 THR 1408 H 0.01 0.15 0.16 -0.55 8.28 8.05 2wzaA1 THR 1408 HA 0.00 0.26 0.93 -0.75 4.39 4.83 2wzaA1 THR 1408 HB 0.01 -0.04 0.15 -0.04 4.32 4.39 2wzaA1 THR 1408 HG23 0.01 -0.01 -0.13 -0.04 1.22 1.05 2wzaA1 VAL 1409 H -0.00 0.55 0.31 -0.55 8.24 8.55 2wzaA1 VAL 1409 HA 0.03 0.18 0.92 -0.75 4.13 4.51 2wzaA1 VAL 1409 HB 0.06 -0.11 0.07 -0.04 2.12 2.10 2wzaA1 VAL 1409 HG13 0.04 -0.01 -0.19 -0.04 0.97 0.78 2wzaA1 VAL 1409 HG23 0.01 0.04 -0.17 -0.04 0.95 0.78 2wzaA1 ARG 1410 H 0.04 0.18 0.23 -0.55 8.46 8.36 2wzaA1 ARG 1410 HA 0.06 0.30 0.84 -0.75 4.34 4.79 2wzaA1 ARG 1410 HB2 0.02 0.04 -0.27 -0.04 1.90 1.65 2wzaA1 ARG 1410 HB3 0.02 -0.05 0.07 -0.04 1.80 1.79 2wzaA1 ARG 1410 HG2 -0.00 0.01 -0.20 -0.04 1.67 1.43 2wzaA1 ARG 1410 HG3 0.01 0.01 -0.13 -0.04 1.67 1.52 2wzaA1 ARG 1410 HD2 -0.00 -0.00 -0.07 -0.04 3.22 3.11 2wzaA1 ARG 1410 HD3 -0.02 -0.01 -0.09 -0.04 3.22 3.07 2wzaA1 THR 1411 H 0.08 0.55 0.33 -0.55 8.28 8.69 2wzaA1 THR 1411 HA 0.00 0.27 0.75 -0.75 4.39 4.66 2wzaA1 THR 1411 HB -0.06 0.02 -0.06 -0.04 4.32 4.18 2wzaA1 THR 1411 HG23 -0.03 0.01 -0.28 -0.04 1.22 0.87 2wzaA1 THR 1412 H -0.02 0.55 0.38 -0.55 8.28 8.65 2wzaA1 THR 1412 HA -0.03 0.27 1.16 -0.75 4.39 5.05 2wzaA1 THR 1412 HB -0.02 0.05 0.04 -0.04 4.32 4.34 2wzaA1 THR 1412 HG23 -0.03 -0.02 -0.17 -0.04 1.22 0.95 2wzaA1 THR 1413 H 0.01 0.82 0.34 -0.55 8.28 8.90 2wzaA1 THR 1413 HA -0.00 0.36 0.96 -0.75 4.39 4.95 2wzaA1 THR 1413 HB 0.14 0.02 0.23 -0.04 4.32 4.67 2wzaA1 THR 1413 HG23 -0.01 -0.03 0.04 -0.04 1.22 1.18