#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkg n ALA 958 N 0.00 0.00 -3.59 -1.84 0.00 -1.26 -5.05 120.51 108.78 1gkg n ALA 958 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1gkg n ALA 958 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1gkg n ALA 958 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gkg n GLU 959 N 0.00 -6.23 -2.33 0.00 -0.58 -1.26 -4.89 120.64 105.35 1gkg n GLU 959 Ca 0.00 0.75 -0.02 0.00 -0.42 0.00 0.00 57.16 57.47 1gkg n GLU 959 Cb 0.00 -5.63 0.09 0.00 -0.57 0.00 0.00 31.44 25.34 1gkg n GLU 959 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1gkg n ALA 960 N -4.37 1.93 -2.48 0.62 0.00 -1.26 -5.01 120.51 109.93 1gkg n ALA 960 Ca -0.21 -0.78 -0.42 0.00 0.00 0.00 0.00 53.44 52.04 1gkg n ALA 960 Cb 0.64 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 19.33 1gkg n ALA 960 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1gkg s LYS 961 N 0.10 4.60 -0.05 0.00 0.00 -1.26 -4.83 119.74 118.30 1gkg s LYS 961 Ca 0.07 1.48 -0.17 0.00 0.00 0.00 0.00 55.97 57.35 1gkg s LYS 961 Cb 0.33 -3.41 -0.05 0.00 0.00 0.00 0.00 37.83 34.70 1gkg s LYS 961 CO -0.10 0.03 0.45 -1.54 0.00 0.00 0.00 175.35 174.19 1gkg s SER 962 N 0.58 6.77 -0.02 0.03 1.04 -1.26 -2.28 113.70 118.56 1gkg s SER 962 Ca 0.51 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.86 1gkg s SER 962 Cb -0.23 -2.27 0.04 0.00 0.10 0.00 0.00 66.02 63.66 1gkg s SER 962 CO 0.29 0.18 0.88 0.00 0.98 0.00 0.00 173.24 175.57 1gkg n LYS 964 N 0.28 -4.91 -1.70 0.00 4.81 -1.26 -4.63 118.16 110.75 1gkg n LYS 964 Ca 0.03 3.61 -0.44 0.00 -0.87 0.00 0.00 58.31 60.64 1gkg n LYS 964 Cb 0.47 -4.03 -0.04 0.00 0.02 0.00 0.00 35.03 31.46 1gkg n LYS 964 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1gkg n THR 965 N -0.33 0.06 -2.07 3.15 5.66 -1.26 -4.88 114.28 114.61 1gkg n THR 965 Ca 0.00 -0.01 -0.42 0.00 -3.05 0.00 0.00 64.05 60.57 1gkg n THR 965 Cb 0.00 -1.84 -0.03 0.00 -1.55 0.00 0.00 70.33 66.92 1gkg n THR 965 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1gkg s PRO 966 N 1.36 3.19 0.42 1.09 0.04 -1.26 -4.96 135.00 134.88 1gkg s PRO 966 Ca 0.78 1.12 -0.24 0.00 0.04 0.00 0.00 61.00 62.69 1gkg s PRO 966 Cb -0.57 -4.22 -0.10 0.00 0.04 0.00 0.00 34.50 29.65 1gkg s PRO 966 CO 0.35 -2.04 1.05 -0.35 0.04 0.00 0.00 177.00 176.06 1gkg n PRO 967 N 8.57 1.43 -1.42 0.56 -0.04 -1.26 -4.71 135.00 138.13 1gkg n PRO 967 Ca 0.21 0.51 -0.62 0.00 -0.04 0.00 0.00 63.50 63.56 1gkg n PRO 967 Cb 0.48 -2.10 -0.11 0.00 -0.04 0.00 0.00 33.50 31.73 1gkg n PRO 967 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1gkg n ASP 968 N 0.42 0.96 -4.75 3.54 5.68 -1.26 -4.85 116.55 116.28 1gkg n ASP 968 Ca 0.09 0.84 -0.37 0.00 -0.50 0.00 0.00 54.79 54.85 1gkg n ASP 968 Cb 0.39 -0.91 0.03 0.00 -1.14 0.00 0.00 41.12 39.50 1gkg n ASP 968 CO 0.00 0.00 0.00 -2.84 -1.33 0.00 0.00 177.20 173.03 1gkg s PRO 969 N 5.02 3.11 -0.42 0.11 0.02 -1.26 -4.83 135.00 136.75 1gkg s PRO 969 Ca 1.15 1.97 -0.42 0.00 0.02 0.00 0.00 61.00 63.72 1gkg s PRO 969 Cb -1.48 -2.10 -0.17 0.00 0.02 0.00 0.00 34.50 30.77 1gkg s PRO 969 CO 0.71 -1.13 1.93 1.55 -0.33 0.00 0.00 177.00 179.72 1gkg n VAL 970 N -1.26 0.11 0.00 3.83 3.14 -1.26 -2.51 118.33 120.38 1gkg n VAL 970 Ca 0.12 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 1gkg n VAL 970 Cb 0.48 -0.88 0.00 0.00 -1.06 0.00 0.00 33.84 32.37 1gkg n VAL 970 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1gkg n ASN 971 N 6.61 0.00 -3.25 6.55 5.15 -1.26 -4.18 115.26 124.89 1gkg n ASN 971 Ca 0.40 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.38 1gkg n ASN 971 Cb 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.29 1gkg n ASN 971 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1gkg n GLY 972 N 0.00 -2.18 3.56 8.20 0.00 -1.04 -4.63 105.19 109.10 1gkg n GLY 972 Ca 0.00 -1.42 -0.14 0.00 0.00 0.00 0.00 46.02 44.46 1gkg n GLY 972 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1gkg s MET 973 N -0.74 0.77 0.34 1.61 -1.94 -0.76 -4.03 119.30 114.55 1gkg s MET 973 Ca 0.00 0.90 -0.18 0.00 -1.71 0.00 0.00 55.69 54.70 1gkg s MET 973 Cb 0.00 0.37 -0.10 0.00 2.01 0.00 0.00 34.83 37.12 1gkg s MET 973 CO 0.00 -0.09 0.81 0.54 -0.01 0.00 0.00 175.02 176.27 1gkg s VAL 974 N 0.33 4.55 -0.75 -6.03 0.11 -1.26 -2.13 120.40 115.21 1gkg s VAL 974 Ca -0.00 1.21 -0.04 0.00 -2.93 0.00 0.00 61.98 60.22 1gkg s VAL 974 Cb -0.04 -3.67 0.19 0.00 -1.53 0.00 0.00 36.38 31.33 1gkg s VAL 974 CO 0.01 -0.15 0.60 -1.00 -3.33 0.00 0.00 175.10 171.24 1gkg s HIS 975 N -1.95 3.61 -0.29 1.54 3.76 0.18 -4.97 115.29 117.17 1gkg s HIS 975 Ca 0.55 -2.71 -0.28 0.00 -0.15 0.00 0.00 55.06 52.47 1gkg s HIS 975 Cb -0.11 -3.32 -0.03 0.00 1.11 0.00 0.00 32.58 30.23 1gkg s HIS 975 CO 0.17 -0.83 1.94 0.08 -0.85 0.00 0.00 174.74 175.24 1gkg s VAL 976 N -0.45 3.32 0.00 -0.90 1.01 -1.26 -2.45 120.40 119.67 1gkg s VAL 976 Ca 0.21 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1gkg s VAL 976 Cb -0.15 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.79 1gkg s VAL 976 CO -0.07 -0.28 0.08 -0.38 0.00 0.00 0.00 175.10 174.45 1gkg n ILE 977 N 7.53 0.00 -0.05 2.22 2.08 -1.23 -4.78 119.36 125.14 1gkg n ILE 977 Ca 0.25 0.20 -0.01 0.00 0.56 0.00 0.00 62.75 63.76 1gkg n ILE 977 Cb 0.46 -0.44 -0.00 0.00 -0.75 0.00 0.00 39.64 38.91 1gkg n ILE 977 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1gkg h THR 978 N 0.00 0.00 0.00 1.39 1.35 -1.91 -3.51 112.91 110.23 1gkg h THR 978 Ca 0.00 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 1gkg h THR 978 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1gkg h THR 978 CO 0.00 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.37 1gkg n ASP 979 N -4.47 0.14 -0.04 5.36 5.75 -1.26 -5.05 116.55 116.96 1gkg n ASP 979 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1gkg n ASP 979 Cb 0.03 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1gkg n ASP 979 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1gkg n ILE 980 N 0.00 0.00 -2.22 2.12 -0.00 -1.26 -4.77 119.36 113.23 1gkg n ILE 980 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 62.75 62.49 1gkg n ILE 980 Cb 0.00 0.72 0.09 0.00 -0.00 0.00 0.00 39.64 40.45 1gkg n ILE 980 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 1gkg s GLN 981 N 0.00 1.97 0.35 6.28 -0.21 -1.26 -0.66 119.66 126.13 1gkg s GLN 981 Ca 0.00 -0.38 -0.24 0.00 0.02 0.00 0.00 55.36 54.76 1gkg s GLN 981 Cb 0.00 -2.16 -0.14 0.00 1.00 0.00 0.00 33.01 31.71 1gkg s GLN 981 CO 0.00 -1.39 0.52 0.28 -2.12 0.00 0.00 175.29 172.59 1gkg n VAL 982 N -3.00 1.64 0.00 1.09 0.31 -0.96 -0.75 118.33 116.66 1gkg n VAL 982 Ca 0.10 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1gkg n VAL 982 Cb 0.60 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 1gkg n VAL 982 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gkg n GLY 983 N 1.85 2.11 3.68 2.92 0.00 -0.79 -4.91 105.19 110.06 1gkg n GLY 983 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1gkg n GLY 983 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gkg s SER 984 N 0.00 6.75 0.10 1.61 0.01 0.07 -4.76 113.70 117.48 1gkg s SER 984 Ca 0.00 2.23 0.02 0.00 1.31 0.00 0.00 55.95 59.51 1gkg s SER 984 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1gkg s SER 984 CO 0.00 -0.81 0.20 -0.60 0.41 0.00 0.00 173.24 172.44 1gkg s ARG 985 N 2.80 3.28 -0.03 12.44 3.00 -1.26 -2.25 118.95 136.92 1gkg s ARG 985 Ca 0.68 -0.59 -0.03 0.00 -1.00 0.00 0.00 55.73 54.80 1gkg s ARG 985 Cb -0.34 -2.91 0.01 0.00 0.00 0.00 0.00 34.95 31.71 1gkg s ARG 985 CO 0.28 0.56 0.08 0.96 0.00 0.00 0.00 175.30 177.19 1gkg s ILE 986 N -1.59 -0.01 -0.20 4.11 -4.36 -0.88 -3.50 121.20 114.77 1gkg s ILE 986 Ca 0.33 0.03 -0.05 0.00 -0.26 0.00 0.00 60.65 60.70 1gkg s ILE 986 Cb -0.12 -0.13 -0.03 0.00 1.25 0.00 0.00 42.46 43.43 1gkg s ILE 986 CO 0.27 0.01 0.01 0.42 0.24 0.00 0.00 174.94 175.89 1gkg s THR 987 N 0.22 4.12 0.19 8.37 -4.23 -1.03 -1.99 115.64 121.29 1gkg s THR 987 Ca -0.01 -0.26 -0.09 0.00 -1.18 0.00 0.00 61.69 60.15 1gkg s THR 987 Cb -0.02 -2.86 -0.07 0.00 1.34 0.00 0.00 72.50 70.89 1gkg s THR 987 CO -0.01 0.43 0.50 -0.31 -0.54 0.00 0.00 174.62 174.69 1gkg s TYR 988 N 0.88 3.46 -0.30 3.99 1.51 -0.62 0.48 117.35 126.76 1gkg s TYR 988 Ca 0.01 0.81 -0.11 0.00 -1.01 0.00 0.00 57.07 56.78 1gkg s TYR 988 Cb -0.14 -2.20 0.12 0.00 -0.11 0.00 0.00 41.96 39.63 1gkg s TYR 988 CO 0.02 0.34 0.65 -1.12 -1.11 0.00 0.00 175.55 174.33 1gkg s SER 989 N -2.28 -1.12 0.15 2.29 0.01 -0.91 -4.54 113.70 107.31 1gkg s SER 989 Ca 0.44 1.57 0.02 0.00 1.31 0.00 0.00 55.95 59.29 1gkg s SER 989 Cb -0.12 2.18 -0.04 0.00 0.21 0.00 0.00 66.02 68.26 1gkg s SER 989 CO 0.22 -0.22 0.29 0.00 0.41 0.00 0.00 173.24 173.93 1gkg s THR 991 N -1.76 2.19 0.51 0.00 -4.23 -1.26 -4.94 115.64 106.15 1gkg s THR 991 Ca 0.35 0.06 -0.22 0.00 -1.18 0.00 0.00 61.69 60.69 1gkg s THR 991 Cb -0.11 -2.14 -0.07 0.00 1.34 0.00 0.00 72.50 71.52 1gkg s THR 991 CO 0.29 -0.08 1.23 0.41 -0.54 0.00 0.00 174.62 175.92 1gkg n THR 992 N -4.24 3.34 0.00 3.99 -1.04 -1.26 -3.11 114.28 111.96 1gkg n THR 992 Ca 0.10 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 1gkg n THR 992 Cb 0.52 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 1gkg n THR 992 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1gkg n GLY 993 N 0.91 2.88 3.74 3.41 0.00 -1.26 -5.02 105.19 109.85 1gkg n GLY 993 Ca 0.10 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 1gkg n GLY 993 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gkg s HIS 994 N -0.41 3.82 -0.01 1.61 4.02 -1.18 -4.86 115.29 118.28 1gkg s HIS 994 Ca 0.00 1.66 -0.28 0.00 1.02 0.00 0.00 55.06 57.46 1gkg s HIS 994 Cb 0.00 -2.91 -0.03 0.00 -1.02 0.00 0.00 32.58 28.61 1gkg s HIS 994 CO 0.00 0.31 0.89 0.50 1.02 0.00 0.00 174.74 177.46 1gkg s ARG 995 N -0.34 4.53 -0.03 1.40 3.52 -0.83 -4.83 118.95 122.38 1gkg s ARG 995 Ca 0.41 1.26 -0.30 0.00 -0.13 0.00 0.00 55.73 56.97 1gkg s ARG 995 Cb -0.23 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 1gkg s ARG 995 CO 0.27 0.01 1.16 -1.17 -0.81 0.00 0.00 175.30 174.76 1gkg s LEU 996 N 0.85 4.31 0.06 -0.88 0.20 -1.26 -1.26 118.68 120.70 1gkg s LEU 996 Ca 0.47 1.82 0.03 0.00 0.69 0.00 0.00 54.13 57.14 1gkg s LEU 996 Cb -0.20 -3.56 -0.04 0.00 -0.43 0.00 0.00 46.19 41.95 1gkg s LEU 996 CO 0.25 -0.51 0.03 -0.63 -0.29 0.00 0.00 176.35 175.21 1gkg s ILE 997 N 1.79 4.27 0.00 6.68 1.09 0.25 -4.94 121.20 130.34 1gkg s ILE 997 Ca 0.55 -0.79 0.00 0.00 -1.10 0.00 0.00 60.65 59.31 1gkg s ILE 997 Cb -0.25 -3.01 0.00 0.00 -1.06 0.00 0.00 42.46 38.14 1gkg s ILE 997 CO 0.24 0.19 0.00 0.61 -0.10 0.00 0.00 174.94 175.88 1gkg n GLY 998 N 0.74 2.04 3.21 6.18 0.00 -1.26 -2.35 105.19 113.75 1gkg n GLY 998 Ca -0.11 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 1gkg n GLY 998 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gkg s HIS 999 N 0.00 -0.46 0.00 1.61 3.76 -1.26 -5.02 115.29 113.92 1gkg s HIS 999 Ca 0.00 1.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.95 1gkg s HIS 999 Cb 0.00 0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.86 1gkg s HIS 999 CO 0.00 -0.26 0.94 -1.13 -0.85 0.00 0.00 174.74 173.44 1gkg n SER 1000N 3.77 2.81 -3.63 1.40 3.41 -1.26 -4.64 113.62 115.48 1gkg n SER 1000Ca -0.20 -1.85 -0.13 0.00 -0.26 0.00 0.00 58.87 56.43 1gkg n SER 1000Cb 0.55 -0.47 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 1gkg n SER 1000CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1gkg s SER 1001N 1.02 -0.67 -0.28 4.04 1.04 -1.26 -1.59 113.70 116.00 1gkg s SER 1001Ca 0.00 1.29 -0.17 0.00 0.48 0.00 0.00 55.95 57.55 1gkg s SER 1001Cb 0.00 1.30 0.11 0.00 0.10 0.00 0.00 66.02 67.53 1gkg s SER 1001CO 0.00 -0.22 0.82 0.00 0.98 0.00 0.00 173.24 174.82 1gkg s ALA 1002N 0.33 -2.04 -0.12 5.32 0.00 -0.84 -4.87 121.76 119.55 1gkg s ALA 1002Ca 0.01 2.29 -0.04 0.00 0.00 0.00 0.00 51.96 54.22 1gkg s ALA 1002Cb -0.05 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 1gkg s ALA 1002CO -0.01 -0.36 0.04 -2.00 0.00 0.00 0.00 175.76 173.43 1gkg s GLU 1003N 1.37 3.31 0.13 0.00 2.12 -1.26 -2.08 118.70 122.29 1gkg s GLU 1003Ca -0.08 -0.34 -0.31 0.00 0.36 0.00 0.00 54.97 54.60 1gkg s GLU 1003Cb -0.04 -2.97 -0.07 0.00 0.26 0.00 0.00 34.13 31.31 1gkg s GLU 1003CO -0.16 0.61 1.29 0.00 -0.54 0.00 0.00 175.26 176.46 1gkg n ILE 1005N 3.45 0.00 -3.56 0.00 -5.35 -0.89 -1.88 119.36 111.13 1gkg n ILE 1005Ca 0.09 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.36 1gkg n ILE 1005Cb 0.44 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.33 1gkg n ILE 1005CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1gkg s LEU 1006N 0.00 4.04 0.00 7.28 2.01 -1.26 0.44 118.68 131.19 1gkg s LEU 1006Ca 0.00 -0.04 0.00 0.00 0.01 0.00 0.00 54.13 54.10 1gkg s LEU 1006Cb 0.00 -2.85 0.00 0.00 0.01 0.00 0.00 46.19 43.35 1gkg s LEU 1006CO 0.00 -0.35 0.00 -0.24 1.01 0.00 0.00 176.35 176.77 1gkg n SER 1007N -1.63 0.00 -0.28 2.29 2.88 -1.15 -4.70 113.62 111.04 1gkg n SER 1007Ca -0.03 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.59 1gkg n SER 1007Cb 0.58 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.27 1gkg n SER 1007CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1gkg h GLY 1008N 0.00 1.28 0.00 0.46 0.00 -1.97 -3.44 103.07 99.40 1gkg h GLY 1008Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1gkg h GLY 1008CO 0.00 -0.16 0.00 -2.01 0.00 0.00 0.00 176.54 174.37 1gkg n ASN 1009N -5.03 -0.03 -0.90 0.19 5.15 -1.26 -5.15 115.26 108.23 1gkg n ASN 1009Ca 0.17 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 1gkg n ASN 1009Cb 0.50 0.33 0.00 0.00 -0.53 0.00 0.00 39.78 40.09 1gkg n ASN 1009CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1gkg n THR 1010N -2.32 0.00 -2.75 -0.44 5.66 -1.26 -5.03 114.28 108.14 1gkg n THR 1010Ca 0.00 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.60 1gkg n THR 1010Cb 0.00 -1.18 -0.06 0.00 -1.55 0.00 0.00 70.33 67.55 1gkg n THR 1010CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gkg s ALA 1011N -2.35 3.33 -0.13 1.79 0.00 -1.26 -2.91 121.76 120.22 1gkg s ALA 1011Ca 0.00 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 52.45 1gkg s ALA 1011Cb 0.00 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.93 1gkg s ALA 1011CO 0.00 0.17 0.34 -1.01 0.00 0.00 0.00 175.76 175.26 1gkg s HIS 1012N -0.98 -0.37 0.21 0.00 3.76 0.17 -4.23 115.29 113.85 1gkg s HIS 1012Ca 0.42 0.91 -0.30 0.00 -0.15 0.00 0.00 55.06 55.93 1gkg s HIS 1012Cb -0.26 0.13 -0.09 0.00 1.11 0.00 0.00 32.58 33.47 1gkg s HIS 1012CO 0.32 -0.18 1.42 -1.58 -0.85 0.00 0.00 174.74 173.87 1gkg s TRP 1013N 0.17 3.11 0.61 1.40 0.52 -1.26 -2.10 118.94 121.39 1gkg s TRP 1013Ca -0.00 1.01 0.28 0.00 0.02 0.00 0.00 56.10 57.42 1gkg s TRP 1013Cb -0.02 -3.76 1.49 0.00 -1.15 0.00 0.00 33.47 30.02 1gkg s TRP 1013CO 0.00 -2.54 1.88 0.66 0.02 0.00 0.00 176.95 176.98 1gkg h SER 1014N 5.57 0.00 -4.53 2.95 4.64 -1.84 -3.40 113.55 116.93 1gkg h SER 1014Ca -0.45 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.21 1gkg h SER 1014Cb 1.21 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 63.01 1gkg h SER 1014CO 0.80 0.00 -0.88 0.42 -0.87 0.00 0.00 176.83 176.31 1gkg s THR 1015N -4.45 1.91 0.66 2.95 -4.23 -1.26 -5.06 115.64 106.18 1gkg s THR 1015Ca -0.04 -1.06 -0.17 0.00 -1.18 0.00 0.00 61.69 59.24 1gkg s THR 1015Cb 0.13 -1.59 -0.03 0.00 1.34 0.00 0.00 72.50 72.35 1gkg s THR 1015CO 0.45 0.52 0.84 2.29 -0.54 0.00 0.00 174.62 178.18 1gkg n LYS 1016N 2.43 0.60 -1.43 3.99 2.85 -1.26 -4.70 118.16 120.63 1gkg n LYS 1016Ca -0.16 0.25 -0.47 0.00 -1.05 0.00 0.00 58.31 56.88 1gkg n LYS 1016Cb 0.52 -2.08 -0.10 0.00 -0.65 0.00 0.00 35.03 32.72 1gkg n LYS 1016CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1gkg n PRO 1017N -1.18 0.46 -1.72 -1.58 -0.02 -1.26 -4.82 135.00 124.88 1gkg n PRO 1017Ca 0.13 0.08 -0.40 0.00 -2.02 0.00 0.00 63.50 61.29 1gkg n PRO 1017Cb 0.49 -2.06 0.02 0.00 -0.02 0.00 0.00 33.50 31.93 1gkg n PRO 1017CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1gkg n PRO 1018N 8.26 1.92 -2.39 0.52 -0.02 -1.26 -4.97 135.00 137.05 1gkg n PRO 1018Ca 0.52 0.69 -0.04 0.00 -2.02 0.00 0.00 63.50 62.66 1gkg n PRO 1018Cb 0.15 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.13 1gkg n PRO 1018CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1gkg n ILE 1019N -0.45 0.00 -3.68 4.25 -5.35 -0.99 -4.67 119.36 108.46 1gkg n ILE 1019Ca 0.07 -0.42 -0.10 0.00 -0.27 0.00 0.00 62.75 62.03 1gkg n ILE 1019Cb 0.41 0.20 -0.10 0.00 -1.74 0.00 0.00 39.64 38.42 1gkg n ILE 1019CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gkg s GLN 1021N 1.30 4.62 0.47 0.00 -1.52 -0.39 -4.87 119.66 119.27 1gkg s GLN 1021Ca -0.08 1.41 0.24 0.00 -1.95 0.00 0.00 55.36 54.98 1gkg s GLN 1021Cb -0.07 -3.42 1.13 0.00 -0.22 0.00 0.00 33.01 30.43 1gkg s GLN 1021CO -0.13 0.09 1.93 0.07 -0.25 0.00 0.00 175.29 177.00 1gkg h ARG 1022N 6.19 0.00 -5.34 2.91 0.11 -1.94 -2.20 114.38 114.11 1gkg h ARG 1022Ca -0.42 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.66 1gkg h ARG 1022Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 1gkg h ARG 1022CO 0.73 0.21 -0.16 -0.89 0.10 0.00 0.00 179.97 179.96 1gkg n ILE 1023N -3.59-10.47 -1.64 0.08 5.41 -1.26 -4.67 119.36 103.22 1gkg n ILE 1023Ca -0.01 0.11 -0.52 0.00 1.00 0.00 0.00 62.75 63.33 1gkg n ILE 1023Cb 0.34 -7.05 -0.06 0.00 -0.71 0.00 0.00 39.64 32.16 1gkg n ILE 1023CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1gkg n PRO 1024N -1.31 1.39 -3.27 0.38 -0.02 -1.14 -4.53 135.00 126.48 1gkg n PRO 1024Ca 0.04 0.50 -0.34 0.00 -2.02 0.00 0.00 63.50 61.68 1gkg n PRO 1024Cb 0.49 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 1gkg n PRO 1024CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gkg s GLY 1026N -1.98 2.92 0.18 0.00 0.00 -0.75 -4.46 107.32 103.23 1gkg s GLY 1026Ca 0.45 0.75 -0.33 0.00 0.00 0.00 0.00 44.72 45.58 1gkg s GLY 1026CO 0.20 1.26 1.51 -0.10 0.00 0.00 0.00 173.10 175.97 1gkg n LEU 1027N 0.70 3.01 -4.50 0.66 7.94 -1.26 -4.64 117.00 118.90 1gkg n LEU 1027Ca 0.01 1.10 -0.36 0.00 -1.11 0.00 0.00 56.01 55.66 1gkg n LEU 1027Cb 0.47 -1.41 0.08 0.00 0.53 0.00 0.00 43.42 43.09 1gkg n LEU 1027CO 0.49 -0.40 0.18 -2.65 -1.11 0.00 0.00 177.39 173.91 1gkg n PRO 1028N 2.95 0.33 -1.70 1.96 -0.02 -1.26 -4.86 135.00 132.39 1gkg n PRO 1028Ca 0.15 0.16 -0.43 0.00 -2.02 0.00 0.00 63.50 61.36 1gkg n PRO 1028Cb 0.29 -1.93 -0.03 0.00 -0.02 0.00 0.00 33.50 31.80 1gkg n PRO 1028CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1gkg n PRO 1029N -1.07 2.68 -2.64 0.52 -0.02 -1.26 -4.96 135.00 128.25 1gkg n PRO 1029Ca 0.11 0.97 -0.39 0.00 -2.02 0.00 0.00 63.50 62.17 1gkg n PRO 1029Cb 0.50 -2.82 -0.05 0.00 -0.02 0.00 0.00 33.50 31.10 1gkg n PRO 1029CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1gkg s THR 1030N 1.83 3.87 -0.04 3.45 -4.23 -1.26 -4.83 115.64 114.43 1gkg s THR 1030Ca 0.79 1.71 -0.02 0.00 -1.18 0.00 0.00 61.69 62.99 1gkg s THR 1030Cb -0.53 -4.02 0.03 0.00 1.34 0.00 0.00 72.50 69.33 1gkg s THR 1030CO 0.36 0.28 0.06 0.27 -0.54 0.00 0.00 174.62 175.04 1gkg s ILE 1031N -1.38 -0.11 0.33 2.99 -4.36 -1.26 -5.12 121.20 112.30 1gkg s ILE 1031Ca 0.47 0.36 -0.26 0.00 -0.26 0.00 0.00 60.65 60.96 1gkg s ILE 1031Cb -0.25 -0.14 -0.14 0.00 1.25 0.00 0.00 42.46 43.18 1gkg s ILE 1031CO 0.32 0.15 0.85 0.00 0.24 0.00 0.00 174.94 176.50 1gkg n ALA 1032N 4.96 -0.75 0.00 2.27 0.00 -1.26 -1.34 120.51 124.40 1gkg n ALA 1032Ca -0.11 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1gkg n ALA 1032Cb 0.50 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1gkg n ALA 1032CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1gkg n ASN 1033N 1.22 0.00 -4.67 0.00 4.13 -1.26 -4.76 115.26 109.92 1gkg n ASN 1033Ca 0.11 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.95 1gkg n ASN 1033Cb 0.34 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.55 1gkg n ASN 1033CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1gkg s GLY 1034N 0.00 1.53 0.00 7.41 0.00 -0.45 -2.00 107.32 113.81 1gkg s GLY 1034Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 44.72 45.80 1gkg s GLY 1034CO 0.00 3.10 0.00 1.34 0.00 0.00 0.00 173.10 177.54 1gkg n ASP 1035N 6.88 0.00 -3.64 1.64 2.03 -0.34 -4.71 116.55 118.41 1gkg n ASP 1035Ca 0.17 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.34 1gkg n ASP 1035Cb 0.42 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.74 1gkg n ASP 1035CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1gkg s PHE 1036N 0.24 -0.64 0.00 -0.67 5.36 -1.16 -4.08 117.98 117.04 1gkg s PHE 1036Ca 0.00 1.45 0.00 0.00 -0.96 0.00 0.00 56.93 57.42 1gkg s PHE 1036Cb 0.00 0.26 0.00 0.00 -0.34 0.00 0.00 43.02 42.94 1gkg s PHE 1036CO 0.00 -0.39 0.00 -0.89 -1.46 0.00 0.00 175.22 172.48 1gkg n ILE 1037N 2.28 0.00 -4.41 3.12 5.41 0.17 -4.95 119.36 120.98 1gkg n ILE 1037Ca -0.15 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1gkg n ILE 1037Cb 0.56 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.49 1gkg n ILE 1037CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1gkg n SER 1038N 0.00 -1.62 -0.03 4.38 7.64 -1.26 -4.03 113.62 118.70 1gkg n SER 1038Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1gkg n SER 1038Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1gkg n SER 1038CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gkg h THR 1039N 0.00 1.45 -3.50 0.44 1.03 -2.01 -3.46 112.91 106.87 1gkg h THR 1039Ca 0.00 -1.74 -0.57 0.00 -0.01 0.00 0.00 66.41 64.10 1gkg h THR 1039Cb 0.00 2.43 0.17 0.00 -1.07 0.00 0.00 68.15 69.68 1gkg h THR 1039CO 0.00 0.49 -0.02 0.59 -0.01 0.00 0.00 175.52 176.57 1gkg n ASN 1040N -4.48 0.17 0.00 0.00 3.02 -1.26 -4.93 115.26 107.78 1gkg n ASN 1040Ca -0.09 0.73 0.00 0.00 -0.03 0.00 0.00 54.58 55.19 1gkg n ASN 1040Cb 0.48 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.31 1gkg n ASN 1040CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1gkg n ARG 1041N -1.06 0.00 -3.58 3.52 1.74 -1.26 -4.85 116.66 111.17 1gkg n ARG 1041Ca 0.13 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.07 1gkg n ARG 1041Cb 0.48 -0.06 -0.06 0.00 -1.02 0.00 0.00 32.46 31.80 1gkg n ARG 1041CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1gkg s GLU 1042N -1.86 0.82 0.00 5.56 1.03 -1.26 -4.95 118.70 118.04 1gkg s GLU 1042Ca 0.00 0.52 0.00 0.00 0.03 0.00 0.00 54.97 55.52 1gkg s GLU 1042Cb 0.00 0.39 0.00 0.00 -0.80 0.00 0.00 34.13 33.72 1gkg s GLU 1042CO 0.00 -0.19 0.00 0.09 -1.33 0.00 0.00 175.26 173.83 1gkg n ASN 1043N 1.64 0.00 -3.53 0.83 5.03 -1.26 -4.61 115.26 113.37 1gkg n ASN 1043Ca -0.15 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.08 1gkg n ASN 1043Cb 0.56 0.00 0.05 0.00 -1.02 0.00 0.00 39.78 39.38 1gkg n ASN 1043CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1gkg n PHE 1044N 0.00 -2.11 -0.24 3.10 3.01 -1.26 -4.48 117.46 115.47 1gkg n PHE 1044Ca 0.00 0.71 0.03 0.00 1.01 0.00 0.00 57.45 59.20 1gkg n PHE 1044Cb 0.00 -3.98 0.16 0.00 -0.01 0.00 0.00 39.48 35.64 1gkg n PHE 1044CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1gkg h HIS 1045N -1.61 0.50 0.00 1.38 3.86 -1.81 0.43 115.15 117.90 1gkg h HIS 1045Ca -0.63 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.61 1gkg h HIS 1045Cb 1.34 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.70 1gkg h HIS 1045CO 0.36 0.10 0.00 0.98 0.86 0.00 0.00 177.93 180.23 1gkg n TYR 1046N -4.98 0.00 0.00 2.45 9.36 -1.26 -0.05 117.16 122.67 1gkg n TYR 1046Ca 0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.34 1gkg n TYR 1046Cb 0.36 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.07 1gkg n TYR 1046CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1gkg n GLY 1047N 0.00 0.61 0.00 2.98 0.00 -1.26 -5.06 105.19 102.46 1gkg n GLY 1047Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1gkg n GLY 1047CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gkg n SER 1048N -0.95 0.00 -3.82 1.61 7.64 -1.26 -5.04 113.62 111.80 1gkg n SER 1048Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1gkg n SER 1048Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1gkg n SER 1048CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1gkg s VAL 1049N 0.00 0.09 -0.07 0.44 1.01 -1.26 -2.12 120.40 118.50 1gkg s VAL 1049Ca 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1gkg s VAL 1049Cb 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 36.38 35.57 1gkg s VAL 1049CO 0.00 -0.43 0.00 0.54 0.00 0.00 0.00 175.10 175.21 1gkg s VAL 1050N -2.31 0.36 -0.18 2.92 0.11 -1.03 -4.02 120.40 116.25 1gkg s VAL 1050Ca -0.07 0.13 -0.16 0.00 -2.93 0.00 0.00 61.98 58.95 1gkg s VAL 1050Cb -0.02 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 1gkg s VAL 1050CO -0.02 0.26 0.41 -0.89 -3.33 0.00 0.00 175.10 171.53 1gkg s THR 1051N 1.96 5.20 -0.02 5.04 2.01 -1.26 -1.97 115.64 126.59 1gkg s THR 1051Ca 0.05 0.76 -0.16 0.00 0.31 0.00 0.00 61.69 62.65 1gkg s THR 1051Cb -0.12 -3.75 -0.32 0.00 0.01 0.00 0.00 72.50 68.32 1gkg s THR 1051CO -0.05 0.27 0.82 1.88 -0.69 0.00 0.00 174.62 176.85 1gkg h TYR 1052N 7.21 0.77 0.00 4.92 -1.99 -1.55 0.47 116.97 126.80 1gkg h TYR 1052Ca -0.37 -0.56 0.00 0.00 2.00 0.00 0.00 58.73 59.80 1gkg h TYR 1052Cb 1.16 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.86 1gkg h TYR 1052CO 0.66 1.56 0.00 2.89 -0.00 0.00 0.00 178.16 183.27 1gkg n ARG 1053N -3.78 0.00 -1.20 4.88 1.85 -1.25 -1.19 116.66 115.96 1gkg n ARG 1053Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.65 1gkg n ARG 1053Cb 1.02 -0.94 0.00 0.00 -1.05 0.00 0.00 32.46 31.49 1gkg n ARG 1053CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1gkg n ASN 1055N -0.42 0.00 -3.69 0.00 5.03 -0.85 -4.47 115.26 110.86 1gkg n ASN 1055Ca 0.00 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.32 1gkg n ASN 1055Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 38.67 1gkg n ASN 1055CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1gkg s LEU 1056N 0.00 -0.07 -0.19 3.41 1.02 -1.19 -4.83 118.68 116.83 1gkg s LEU 1056Ca 0.00 1.08 -0.20 0.00 0.02 0.00 0.00 54.13 55.03 1gkg s LEU 1056Cb 0.00 1.83 -0.21 0.00 0.02 0.00 0.00 46.19 47.84 1gkg s LEU 1056CO 0.00 -0.19 0.29 1.23 0.02 0.00 0.00 176.35 177.71 1gkg h GLY 1057N 5.41 0.05 0.00 -3.19 0.00 -1.83 -2.90 103.07 100.61 1gkg h GLY 1057Ca -0.28 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 1gkg h GLY 1057CO 0.17 0.12 -1.28 1.44 0.00 0.00 0.00 176.54 177.00 1gkg n SER 1058N -4.30 1.82 -4.64 0.19 7.64 -1.26 -4.49 113.62 108.56 1gkg n SER 1058Ca -0.30 0.31 -0.43 0.00 1.01 0.00 0.00 58.87 59.46 1gkg n SER 1058Cb 0.72 -0.70 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 1gkg n SER 1058CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1gkg s ARG 1059N -2.71 4.08 0.00 1.43 0.52 -1.26 -3.86 118.95 117.14 1gkg s ARG 1059Ca -0.28 1.35 0.00 0.00 -0.52 0.00 0.00 55.73 56.28 1gkg s ARG 1059Cb 0.06 -3.79 0.00 0.00 0.52 0.00 0.00 34.95 31.74 1gkg s ARG 1059CO 0.39 -0.89 0.00 0.41 0.02 0.00 0.00 175.30 175.23 1gkg n GLY 1060N 3.89 0.97 7.00 -3.53 0.00 -1.26 -4.66 105.19 107.61 1gkg n GLY 1060Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1gkg n GLY 1060CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1gkg n ARG 1061N 0.00 0.00 -1.79 1.61 0.00 -1.22 -4.90 116.66 110.36 1gkg n ARG 1061Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 1gkg n ARG 1061Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.43 1gkg n ARG 1061CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1gkg n LYS 1062N 13.77 -0.86 -0.24 -0.14 4.81 -1.23 -3.18 118.16 131.08 1gkg n LYS 1062Ca 0.00 0.73 -0.01 0.00 -0.87 0.00 0.00 58.31 58.16 1gkg n LYS 1062Cb 0.00 -4.79 0.08 0.00 0.02 0.00 0.00 35.03 30.34 1gkg n LYS 1062CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1gkg n VAL 1063N -3.36 0.94 0.00 3.15 3.14 -1.10 -4.62 118.33 116.48 1gkg n VAL 1063Ca -0.13 -0.38 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 1gkg n VAL 1063Cb 0.50 -0.58 0.00 0.00 -1.06 0.00 0.00 33.84 32.70 1gkg n VAL 1063CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1gkg n PHE 1064N 0.14 0.00 -4.04 1.45 3.01 -1.26 -4.30 117.46 112.46 1gkg n PHE 1064Ca 0.09 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.31 1gkg n PHE 1064Cb 0.58 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.88 1gkg n PHE 1064CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1gkg s GLU 1065N 0.00 1.15 0.10 -1.08 0.41 -0.68 -4.94 118.70 113.65 1gkg s GLU 1065Ca 0.00 -0.15 -0.31 0.00 -0.41 0.00 0.00 54.97 54.10 1gkg s GLU 1065Cb 0.00 -1.22 -0.08 0.00 -1.78 0.00 0.00 34.13 31.05 1gkg s GLU 1065CO 0.00 -0.19 1.41 -1.17 -0.49 0.00 0.00 175.26 174.83 1gkg s LEU 1066N 1.43 4.36 -0.24 1.80 2.96 -1.26 -0.29 118.68 127.45 1gkg s LEU 1066Ca -0.02 2.32 -0.07 0.00 -0.22 0.00 0.00 54.13 56.14 1gkg s LEU 1066Cb -0.13 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1gkg s LEU 1066CO -0.04 -0.68 0.06 -0.69 -1.32 0.00 0.00 176.35 173.68 1gkg s VAL 1067N 1.37 4.29 0.00 1.68 1.01 0.12 -4.91 120.40 123.96 1gkg s VAL 1067Ca 0.65 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1gkg s VAL 1067Cb -0.37 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1gkg s VAL 1067CO 0.30 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.37 1gkg n GLY 1068N 4.72 0.08 3.72 4.51 0.00 -1.26 -2.25 105.19 114.70 1gkg n GLY 1068Ca -0.16 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1gkg n GLY 1068CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gkg s GLU 1069N 0.00 4.33 0.26 1.61 1.03 -1.26 -4.93 118.70 119.74 1gkg s GLU 1069Ca 0.00 2.08 0.05 0.00 0.03 0.00 0.00 54.97 57.13 1gkg s GLU 1069Cb 0.00 -3.23 0.32 0.00 -0.80 0.00 0.00 34.13 30.42 1gkg s GLU 1069CO 0.00 -0.39 1.61 -1.00 -1.33 0.00 0.00 175.26 174.15 1gkg h PRO 1070N 6.37 0.26 -3.36 -4.83 0.13 -1.96 -3.38 132.00 125.22 1gkg h PRO 1070Ca -0.43 -0.15 -0.25 0.00 -0.87 0.00 0.00 66.00 64.30 1gkg h PRO 1070Cb 1.21 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 32.04 1gkg h PRO 1070CO 0.84 0.72 -0.63 -1.54 -0.23 0.00 0.00 178.00 177.16 1gkg s SER 1071N -6.89 -0.07 0.46 1.44 1.04 -1.26 -1.99 113.70 106.43 1gkg s SER 1071Ca -0.04 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.61 1gkg s SER 1071Cb 0.12 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1gkg s SER 1071CO 0.79 -0.12 0.00 2.30 0.98 0.00 0.00 173.24 177.19 1gkg n ILE 1072N 3.97 0.00 -3.64 -1.02 -5.35 -0.83 -4.82 119.36 107.67 1gkg n ILE 1072Ca -0.24 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.12 1gkg n ILE 1072Cb 0.53 -1.61 -0.07 0.00 -1.74 0.00 0.00 39.64 36.74 1gkg n ILE 1072CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 1gkg s TYR 1073N 0.03 -0.82 0.75 4.28 -0.85 -1.26 -2.46 117.35 117.02 1gkg s TYR 1073Ca 0.00 1.88 -0.11 0.00 -0.52 0.00 0.00 57.07 58.31 1gkg s TYR 1073Cb 0.00 0.34 0.04 0.00 0.38 0.00 0.00 41.96 42.73 1gkg s TYR 1073CO 0.00 -0.40 1.09 0.00 -1.52 0.00 0.00 175.55 174.72 1gkg n THR 1075N -3.24 0.00 -1.61 0.00 5.66 -1.22 -4.83 114.28 109.04 1gkg n THR 1075Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1gkg n THR 1075Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 1gkg n THR 1075CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1gkg n SER 1076N -0.87 -8.40 0.00 1.09 3.41 -1.22 -4.93 113.62 102.70 1gkg n SER 1076Ca 0.00 1.74 0.00 0.00 -0.26 0.00 0.00 58.87 60.35 1gkg n SER 1076Cb 0.00 -5.10 0.00 0.00 -0.26 0.00 0.00 64.21 58.85 1gkg n SER 1076CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1gkg n ASN 1077N -2.29 0.00 0.00 4.04 2.04 -1.26 -4.91 115.26 112.88 1gkg n ASN 1077Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1gkg n ASN 1077Cb 0.38 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.63 1gkg n ASN 1077CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 1gkg n ASP 1078N -0.39 0.00 0.00 0.53 2.03 -1.26 -4.97 116.55 112.50 1gkg n ASP 1078Ca 0.00 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1gkg n ASP 1078Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1gkg n ASP 1078CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1gkg n ASP 1079N -0.12 0.00 -2.69 1.67 5.68 -1.26 -5.00 116.55 114.83 1gkg n ASP 1079Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.23 1gkg n ASP 1079Cb 0.00 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.05 1gkg n ASP 1079CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1gkg n GLN 1080N -1.18 0.81 0.00 0.11 -0.06 -1.26 -5.00 117.38 110.80 1gkg n GLN 1080Ca 0.00 -1.42 0.00 0.00 -2.00 0.00 0.00 57.00 53.58 1gkg n GLN 1080Cb 0.00 -0.13 0.00 0.00 -4.06 0.00 0.00 30.24 26.05 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1gkg n VAL 1081N -0.43 0.00 -1.47 1.69 0.31 -1.26 -4.90 118.33 112.26 1gkg n VAL 1081Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1gkg n VAL 1081Cb 0.77 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 1gkg n VAL 1081CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gkg n GLY 1082N 2.26 -4.73 3.26 2.92 0.00 -1.26 -3.72 105.19 103.91 1gkg n GLY 1082Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 1gkg n GLY 1082CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1gkg s ILE 1083N -1.08 -0.01 0.22 -0.61 -0.00 -1.26 -1.82 121.20 116.65 1gkg s ILE 1083Ca 0.00 0.02 -0.30 0.00 -0.00 0.00 0.00 60.65 60.37 1gkg s ILE 1083Cb 0.00 -0.53 -0.09 0.00 -0.00 0.00 0.00 42.46 41.84 1gkg s ILE 1083CO 0.00 0.01 1.26 0.26 -0.00 0.00 0.00 174.94 176.47 1gkg s TRP 1084N 0.44 3.30 0.02 1.37 0.52 -1.26 -3.42 118.94 119.92 1gkg s TRP 1084Ca -0.02 1.35 -0.25 0.00 0.02 0.00 0.00 56.10 57.20 1gkg s TRP 1084Cb -0.04 -3.54 -0.18 0.00 -1.15 0.00 0.00 33.47 28.56 1gkg s TRP 1084CO -0.02 -1.57 1.42 1.03 0.02 0.00 0.00 176.95 177.83 1gkg h SER 1085N 4.93 -0.08 -2.76 2.95 0.87 -1.77 -3.43 113.55 114.27 1gkg h SER 1085Ca -0.45 -0.27 -0.53 0.00 -1.23 0.00 0.00 61.79 59.31 1gkg h SER 1085Cb 1.22 0.02 0.02 0.00 -0.44 0.00 0.00 62.40 63.21 1gkg h SER 1085CO 0.74 0.23 0.94 -0.83 -0.53 0.00 0.00 176.83 177.38 1gkg s GLY 1086N -2.76 1.63 -0.07 5.77 0.00 -1.26 -4.89 107.32 105.74 1gkg s GLY 1086Ca -0.15 1.16 -0.01 0.00 0.00 0.00 0.00 44.72 45.73 1gkg s GLY 1086CO 0.65 2.77 2.23 -1.55 0.00 0.00 0.00 173.10 177.19 1gkg n PRO 1087N 5.29 1.30 -1.74 2.90 -0.04 -1.26 -4.86 135.00 136.59 1gkg n PRO 1087Ca 0.15 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 1gkg n PRO 1087Cb 0.41 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1gkg n PRO 1087CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gkg n ALA 1088N 1.41 -1.94 -1.02 0.55 0.00 -1.26 -4.98 120.51 113.27 1gkg n ALA 1088Ca 0.12 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1gkg n ALA 1088Cb 0.57 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1gkg n ALA 1088CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1gkg n PRO 1089N -0.63 2.97 -3.70 0.00 -0.04 -1.26 -5.01 135.00 127.33 1gkg n PRO 1089Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1gkg n PRO 1089Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 1gkg n PRO 1089CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1gkg s GLN 1090N 0.08 0.46 -1.20 0.54 0.74 -0.95 -4.99 119.66 114.34 1gkg s GLN 1090Ca 0.00 0.75 -0.12 0.00 0.05 0.00 0.00 55.36 56.04 1gkg s GLN 1090Cb 0.00 0.10 0.20 0.00 1.10 0.00 0.00 33.01 34.40 1gkg s GLN 1090CO 0.00 -0.12 1.43 0.00 -0.55 0.00 0.00 175.29 176.05