#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 -3.64 4.31 0.00 -1.26 -5.18 120.51 114.74 1gkg n ALA 958 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1gkg n ALA 958 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1gkg n ALA 958 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1gkg s GLU 959 N 4.85 0.30 0.00 0.00 -1.05 -1.26 -5.04 118.70 116.51 1gkg s GLU 959 Ca 0.00 0.44 -0.04 0.00 -0.15 0.00 0.00 54.97 55.22 1gkg s GLU 959 Cb 0.00 0.11 -0.16 0.00 -0.44 0.00 0.00 34.13 33.64 1gkg s GLU 959 CO 0.00 -0.05 2.85 0.00 0.95 0.00 0.00 175.26 179.01 1gkg n ALA 960 N 2.76 5.22 -1.81 -0.84 0.00 -1.26 -4.91 120.51 119.67 1gkg n ALA 960 Ca -0.15 -1.09 -0.33 0.00 0.00 0.00 0.00 53.44 51.86 1gkg n ALA 960 Cb 0.57 -1.87 -0.05 0.00 0.00 0.00 0.00 19.45 18.09 1gkg n ALA 960 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1gkg s LYS 961 N 0.79 4.03 0.05 0.00 2.47 -1.26 -5.07 119.74 120.75 1gkg s LYS 961 Ca 0.40 1.23 -0.24 0.00 -1.56 0.00 0.00 55.97 55.81 1gkg s LYS 961 Cb 0.19 -2.14 0.06 0.00 -1.46 0.00 0.00 37.83 34.48 1gkg s LYS 961 CO 0.00 -0.22 0.56 -1.54 0.16 0.00 0.00 175.35 174.31 1gkg s SER 962 N -2.09 -0.49 0.62 1.43 1.04 -1.26 -4.16 113.70 108.79 1gkg s SER 962 Ca 0.65 0.23 -0.11 0.00 0.48 0.00 0.00 55.95 57.20 1gkg s SER 962 Cb -0.12 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1gkg s SER 962 CO 0.16 -0.74 1.03 0.00 0.98 0.00 0.00 173.24 174.68 1gkg s LYS 964 N -5.08 4.22 -0.32 0.00 2.47 -1.26 -4.90 119.74 114.86 1gkg s LYS 964 Ca 0.56 2.39 -0.29 0.00 -1.56 0.00 0.00 55.97 57.06 1gkg s LYS 964 Cb -0.11 -3.11 -0.01 0.00 -1.46 0.00 0.00 37.83 33.14 1gkg s LYS 964 CO 0.53 -0.54 1.47 0.99 0.16 0.00 0.00 175.35 177.95 1gkg s THR 965 N 0.47 3.88 0.08 3.43 2.01 -1.26 -4.97 115.64 119.28 1gkg s THR 965 Ca 0.65 0.95 -0.31 0.00 0.31 0.00 0.00 61.69 63.30 1gkg s THR 965 Cb -0.44 -4.00 -0.09 0.00 0.01 0.00 0.00 72.50 67.98 1gkg s THR 965 CO 0.39 -0.51 1.81 -2.84 -0.69 0.00 0.00 174.62 172.78 1gkg s PRO 966 N 4.70 4.15 0.02 4.92 0.02 -1.26 -4.92 135.00 142.64 1gkg s PRO 966 Ca 0.64 2.51 -0.25 0.00 0.02 0.00 0.00 61.00 63.92 1gkg s PRO 966 Cb -0.18 -3.77 -0.18 0.00 0.02 0.00 0.00 34.50 30.39 1gkg s PRO 966 CO 0.29 -0.85 1.43 -1.00 -0.33 0.00 0.00 177.00 176.54 1gkg h PRO 967 N 9.12 -0.07 0.00 5.54 0.13 -2.01 -3.47 132.00 141.24 1gkg h PRO 967 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1gkg h PRO 967 Cb 1.22 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1gkg h PRO 967 CO 0.94 0.22 0.00 -0.40 -0.23 0.00 0.00 178.00 178.53 1gkg n ASP 968 N -4.99 0.00 -4.76 1.44 5.75 -1.26 -4.94 116.55 107.78 1gkg n ASP 968 Ca -0.08 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.31 1gkg n ASP 968 Cb 0.18 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 1gkg n ASP 968 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1gkg s PRO 969 N 0.00 3.72 -0.39 0.11 0.04 -1.26 -4.86 135.00 132.36 1gkg s PRO 969 Ca 0.00 2.04 -0.42 0.00 0.04 0.00 0.00 61.00 62.66 1gkg s PRO 969 Cb 0.00 -2.53 -0.17 0.00 0.04 0.00 0.00 34.50 31.84 1gkg s PRO 969 CO 0.00 -0.66 1.84 1.55 0.04 0.00 0.00 177.00 179.77 1gkg n VAL 970 N -0.33 0.16 0.00 -0.36 3.14 -1.26 -2.40 118.33 117.28 1gkg n VAL 970 Ca 0.06 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1gkg n VAL 970 Cb 0.45 -0.97 0.00 0.00 -1.06 0.00 0.00 33.84 32.26 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 6.02 0.00 -3.10 6.55 5.15 -1.26 -3.41 115.26 125.20 1gkg n ASN 971 Ca 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.33 1gkg n ASN 971 Cb 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.31 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 0.11 3.60 8.20 0.00 -1.01 -4.71 105.19 111.39 1gkg n GLY 972 Ca 0.00 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 1gkg n GLY 972 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1gkg s MET 973 N 0.00 0.72 0.33 1.61 0.23 0.81 -4.33 119.30 118.68 1gkg s MET 973 Ca 0.00 1.11 -0.22 0.00 -1.03 0.00 0.00 55.69 55.55 1gkg s MET 973 Cb 0.00 0.22 -0.10 0.00 -1.53 0.00 0.00 34.83 33.42 1gkg s MET 973 CO 0.00 -0.13 0.87 0.54 -2.03 0.00 0.00 175.02 174.27 1gkg s VAL 974 N 1.20 4.40 -0.29 5.16 0.11 -1.26 -1.94 120.40 127.78 1gkg s VAL 974 Ca -0.07 1.50 0.02 0.00 -2.93 0.00 0.00 61.98 60.51 1gkg s VAL 974 Cb -0.05 -3.81 0.08 0.00 -1.53 0.00 0.00 36.38 31.07 1gkg s VAL 974 CO -0.12 -0.02 -0.01 -1.00 -3.33 0.00 0.00 175.10 170.62 1gkg s HIS 975 N -1.81 2.93 0.01 1.54 3.76 -0.37 -4.98 115.29 116.37 1gkg s HIS 975 Ca 0.53 -2.29 -0.12 0.00 -0.15 0.00 0.00 55.06 53.03 1gkg s HIS 975 Cb -0.14 -2.12 -0.07 0.00 1.11 0.00 0.00 32.58 31.36 1gkg s HIS 975 CO 0.19 -0.87 0.91 0.28 -0.85 0.00 0.00 174.74 174.41 1gkg h VAL 976 N 6.64 0.00 0.00 -0.90 2.07 -1.97 -2.52 116.25 119.57 1gkg h VAL 976 Ca -0.13 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1gkg h VAL 976 Cb 1.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1gkg h VAL 976 CO 0.47 0.00 0.00 -0.38 0.02 0.00 0.00 177.57 177.68 1gkg n ILE 977 N -3.47 0.00 0.00 4.57 5.41 -1.26 -4.50 119.36 120.12 1gkg n ILE 977 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1gkg n ILE 977 Cb 0.17 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.10 1gkg n ILE 977 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1gkg n THR 978 N 0.00 0.00 -0.07 1.39 -2.24 -1.26 -5.04 114.28 107.07 1gkg n THR 978 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1gkg n THR 978 Cb 0.00 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 1gkg n THR 978 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1gkg n ASP 979 N -0.76 0.00 -3.19 3.42 -0.08 -1.26 -5.07 116.55 109.61 1gkg n ASP 979 Ca 0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 1gkg n ASP 979 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1gkg n ASP 979 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1gkg n ILE 980 N 0.00 -8.65 -2.67 5.18 -5.35 -1.26 -4.98 119.36 101.63 1gkg n ILE 980 Ca 0.00 0.03 -0.01 0.00 -0.27 0.00 0.00 62.75 62.50 1gkg n ILE 980 Cb 0.00 -6.02 0.09 0.00 -1.74 0.00 0.00 39.64 31.96 1gkg n ILE 980 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gkg n GLN 981 N -1.57 1.34 0.00 6.28 6.02 -1.26 -4.17 117.38 124.01 1gkg n GLN 981 Ca -0.05 -1.98 0.00 0.00 -0.01 0.00 0.00 57.00 54.96 1gkg n GLN 981 Cb 0.54 -0.25 0.00 0.00 1.02 0.00 0.00 30.24 31.55 1gkg n GLN 981 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1gkg n VAL 982 N -1.05 0.00 0.00 5.09 0.31 -1.26 -4.60 118.33 116.82 1gkg n VAL 982 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1gkg n VAL 982 Cb 0.85 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.78 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 2.53 1.48 3.68 2.92 0.00 0.35 -4.92 105.19 111.22 1gkg n GLY 983 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1gkg n GLY 983 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gkg s SER 984 N -0.01 6.75 -0.29 1.61 1.04 -1.26 -4.70 113.70 116.84 1gkg s SER 984 Ca 0.00 2.23 -0.10 0.00 0.48 0.00 0.00 55.95 58.55 1gkg s SER 984 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 1gkg s SER 984 CO 0.00 -0.81 0.17 -0.60 0.98 0.00 0.00 173.24 172.98 1gkg s ARG 985 N 2.80 3.76 0.00 4.02 3.00 -1.26 -2.33 118.95 128.94 1gkg s ARG 985 Ca 0.68 -0.44 0.00 0.00 -1.00 0.00 0.00 55.73 54.97 1gkg s ARG 985 Cb -0.34 -3.61 0.00 0.00 0.00 0.00 0.00 34.95 31.00 1gkg s ARG 985 CO 0.28 -0.25 0.00 0.44 0.00 0.00 0.00 175.30 175.78 1gkg n ILE 986 N 5.03 0.00 -3.68 4.11 -5.35 0.07 -4.88 119.36 114.66 1gkg n ILE 986 Ca -0.14 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.24 1gkg n ILE 986 Cb 0.51 -1.23 -0.10 0.00 -1.74 0.00 0.00 39.64 37.08 1gkg n ILE 986 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1gkg s THR 987 N 0.64 -0.11 0.17 7.28 -4.23 -0.95 -2.75 115.64 115.69 1gkg s THR 987 Ca 0.00 0.09 -0.07 0.00 -1.18 0.00 0.00 61.69 60.53 1gkg s THR 987 Cb 0.00 -0.68 -0.06 0.00 1.34 0.00 0.00 72.50 73.10 1gkg s THR 987 CO 0.00 0.04 0.43 -0.31 -0.54 0.00 0.00 174.62 174.24 1gkg s TYR 988 N 1.60 3.46 -0.24 3.99 1.51 0.63 -1.24 117.35 127.06 1gkg s TYR 988 Ca -0.09 0.67 -0.17 0.00 -1.01 0.00 0.00 57.07 56.47 1gkg s TYR 988 Cb -0.08 -2.09 0.07 0.00 -0.11 0.00 0.00 41.96 39.74 1gkg s TYR 988 CO -0.14 0.38 0.61 -1.12 -1.11 0.00 0.00 175.55 174.17 1gkg s SER 989 N -2.38 -0.76 0.00 2.29 0.01 -0.82 -4.55 113.70 107.49 1gkg s SER 989 Ca 0.43 1.30 0.00 0.00 1.31 0.00 0.00 55.95 58.99 1gkg s SER 989 Cb -0.12 1.22 0.00 0.00 0.21 0.00 0.00 66.02 67.33 1gkg s SER 989 CO 0.23 -0.22 0.00 0.00 0.41 0.00 0.00 173.24 173.66 1gkg s THR 991 N 0.42 0.00 -1.25 0.00 -1.32 -1.26 -4.60 115.64 107.63 1gkg s THR 991 Ca 0.00 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.35 1gkg s THR 991 Cb 0.00 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.01 1gkg s THR 991 CO 0.00 0.00 0.25 0.41 -2.21 0.00 0.00 174.62 173.07 1gkg n THR 992 N -0.20 -1.46 0.00 5.08 -1.04 -1.26 -3.47 114.28 111.93 1gkg n THR 992 Ca -0.11 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.42 1gkg n THR 992 Cb 0.62 -1.32 0.00 0.00 -1.82 0.00 0.00 70.33 67.81 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 -2.23 2.01 1.55 3.41 0.00 -1.26 -4.99 105.19 103.68 1gkg n GLY 993 Ca -0.21 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1gkg n GLY 993 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1gkg n HIS 994 N 0.00 -3.57 -2.99 1.61 -0.00 -1.23 -4.76 115.22 104.29 1gkg n HIS 994 Ca 0.00 1.90 -0.43 0.00 -0.00 0.00 0.00 57.72 59.19 1gkg n HIS 994 Cb 0.00 -2.92 -0.05 0.00 -0.00 0.00 0.00 29.99 27.02 1gkg n HIS 994 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.34 176.84 1gkg s ARG 995 N -3.56 3.26 -0.15 -0.41 3.52 -0.78 -4.90 118.95 115.93 1gkg s ARG 995 Ca 0.00 -0.48 -0.29 0.00 -0.13 0.00 0.00 55.73 54.83 1gkg s ARG 995 Cb 0.00 -4.05 -0.01 0.00 -1.56 0.00 0.00 34.95 29.33 1gkg s ARG 995 CO 0.00 -1.31 1.21 -1.17 -0.81 0.00 0.00 175.30 173.22 1gkg s LEU 996 N 3.31 4.19 0.32 -0.88 0.20 -1.26 0.54 118.68 125.10 1gkg s LEU 996 Ca 0.24 1.66 -0.09 0.00 0.69 0.00 0.00 54.13 56.64 1gkg s LEU 996 Cb -0.15 -3.54 -0.06 0.00 -0.43 0.00 0.00 46.19 42.00 1gkg s LEU 996 CO 0.17 -0.70 0.65 -0.63 -0.29 0.00 0.00 176.35 175.54 1gkg s ILE 997 N 3.15 4.88 0.00 6.68 -1.09 0.21 -4.78 121.20 130.26 1gkg s ILE 997 Ca 0.53 0.44 0.00 0.00 -2.23 0.00 0.00 60.65 59.39 1gkg s ILE 997 Cb -0.21 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1gkg s ILE 997 CO 0.15 -0.31 0.00 0.61 -1.23 0.00 0.00 174.94 174.15 1gkg n GLY 998 N -0.81 1.69 3.21 6.18 0.00 -1.26 -2.45 105.19 111.76 1gkg n GLY 998 Ca 0.01 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.01 1.61 3.76 -1.26 -5.02 115.29 113.91 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 0.02 0.00 1.11 0.00 0.00 32.58 33.88 1gkg s HIS 999 CO 0.00 -0.26 1.05 -1.13 -0.85 0.00 0.00 174.74 173.55 1gkg n SER 1000N 3.74 3.08 -3.52 1.40 3.41 -1.26 -4.65 113.62 115.82 1gkg n SER 1000Ca -0.20 -2.06 -0.16 0.00 -0.26 0.00 0.00 58.87 56.20 1gkg n SER 1000Cb 0.56 -0.53 -0.05 0.00 -0.26 0.00 0.00 64.21 63.93 1gkg n SER 1000CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1gkg s SER 1001N 0.95 -0.58 -0.25 4.04 0.01 -1.26 -0.27 113.70 116.34 1gkg s SER 1001Ca 0.02 0.56 -0.13 0.00 1.31 0.00 0.00 55.95 57.71 1gkg s SER 1001Cb 0.01 0.49 0.09 0.00 0.21 0.00 0.00 66.02 66.82 1gkg s SER 1001CO 0.00 -0.58 0.60 0.00 0.41 0.00 0.00 173.24 173.67 1gkg s ALA 1002N -1.47 -1.68 -0.21 1.44 0.00 -1.11 -4.76 121.76 113.98 1gkg s ALA 1002Ca -0.07 2.15 -0.08 0.00 0.00 0.00 0.00 51.96 53.96 1gkg s ALA 1002Cb -0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 1gkg s ALA 1002CO 0.06 -0.48 0.08 -2.00 0.00 0.00 0.00 175.76 173.42 1gkg s GLU 1003N 1.88 3.92 -0.01 0.00 2.12 -1.26 -0.75 118.70 124.61 1gkg s GLU 1003Ca -0.09 -0.36 -0.30 0.00 0.36 0.00 0.00 54.97 54.58 1gkg s GLU 1003Cb -0.07 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 1gkg s GLU 1003CO -0.18 0.13 1.26 0.00 -0.54 0.00 0.00 175.26 175.94 1gkg s ILE 1005N 1.95 0.11 0.13 0.00 -4.36 -0.97 -0.50 121.20 117.56 1gkg s ILE 1005Ca 0.59 -0.87 -0.11 0.00 -0.26 0.00 0.00 60.65 60.00 1gkg s ILE 1005Cb -0.28 -0.96 -0.06 0.00 1.25 0.00 0.00 42.46 42.41 1gkg s ILE 1005CO 0.25 -0.48 0.48 -0.76 0.24 0.00 0.00 174.94 174.67 1gkg s LEU 1006N -2.16 4.31 0.37 0.37 2.01 -1.26 -1.20 118.68 121.13 1gkg s LEU 1006Ca -0.04 0.89 0.00 0.00 0.01 0.00 0.00 54.13 54.99 1gkg s LEU 1006Cb -0.00 -3.23 0.00 0.00 0.01 0.00 0.00 46.19 42.96 1gkg s LEU 1006CO -0.04 0.09 0.00 -0.24 1.01 0.00 0.00 176.35 177.17 1gkg n SER 1007N 0.62 -3.37 -2.51 2.29 2.88 -1.23 -4.96 113.62 107.34 1gkg n SER 1007Ca -0.05 0.77 -0.30 0.00 -1.33 0.00 0.00 58.87 57.96 1gkg n SER 1007Cb 0.52 3.22 -0.00 0.00 -0.75 0.00 0.00 64.21 67.20 1gkg n SER 1007CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gkg n GLY 1008N -1.44 4.82 2.83 0.46 0.00 -1.26 -4.74 105.19 105.86 1gkg n GLY 1008Ca 0.00 -1.99 -0.08 0.00 0.00 0.00 0.00 46.02 43.95 1gkg n GLY 1008CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gkg n ASN 1009N 0.20 -5.75 -3.73 1.61 5.03 -1.26 -4.91 115.26 106.45 1gkg n ASN 1009Ca 0.49 0.19 -0.14 0.00 0.87 0.00 0.00 54.58 56.00 1gkg n ASN 1009Cb 0.48 -3.94 -0.09 0.00 -1.02 0.00 0.00 39.78 35.21 1gkg n ASN 1009CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1gkg s THR 1010N -1.69 0.03 0.14 3.41 2.01 -1.26 -5.14 115.64 113.13 1gkg s THR 1010Ca 0.00 -0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 1gkg s THR 1010Cb 0.00 -0.63 -0.07 0.00 0.01 0.00 0.00 72.50 71.81 1gkg s THR 1010CO 0.00 -0.14 1.12 0.00 -0.69 0.00 0.00 174.62 174.92 1gkg s ALA 1011N -0.73 3.37 -0.07 7.40 0.00 -1.26 -3.57 121.76 126.89 1gkg s ALA 1011Ca -0.08 0.81 -0.18 0.00 0.00 0.00 0.00 51.96 52.52 1gkg s ALA 1011Cb -0.04 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.74 1gkg s ALA 1011CO 0.03 -0.27 0.42 -3.38 0.00 0.00 0.00 175.76 172.56 1gkg s HIS 1012N 0.13 -0.37 0.00 0.00 -3.43 -0.34 -4.33 115.29 106.96 1gkg s HIS 1012Ca 0.52 0.74 -0.30 0.00 -0.80 0.00 0.00 55.06 55.21 1gkg s HIS 1012Cb -0.29 0.17 -0.06 0.00 -1.43 0.00 0.00 32.58 30.97 1gkg s HIS 1012CO 0.33 -0.37 1.43 -1.58 -2.00 0.00 0.00 174.74 172.56 1gkg s TRP 1013N -0.74 2.78 0.59 0.38 0.52 -1.26 -2.30 118.94 118.92 1gkg s TRP 1013Ca -0.08 0.76 0.29 0.00 0.02 0.00 0.00 56.10 57.08 1gkg s TRP 1013Cb -0.04 -3.70 1.49 0.00 -1.15 0.00 0.00 33.47 30.08 1gkg s TRP 1013CO 0.04 -2.61 1.90 1.03 0.02 0.00 0.00 176.95 177.33 1gkg h SER 1014N 7.95 0.00 -3.13 2.95 0.87 -1.81 -3.40 113.55 116.97 1gkg h SER 1014Ca -0.38 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.58 1gkg h SER 1014Cb 1.18 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.08 1gkg h SER 1014CO 0.91 0.00 -0.16 0.42 -0.53 0.00 0.00 176.83 177.47 1gkg s THR 1015N -4.58 5.00 0.69 2.23 -4.23 -1.26 -5.04 115.64 108.45 1gkg s THR 1015Ca -0.04 0.94 -0.16 0.00 -1.18 0.00 0.00 61.69 61.24 1gkg s THR 1015Cb 0.15 -3.77 0.02 0.00 1.34 0.00 0.00 72.50 70.24 1gkg s THR 1015CO 0.53 0.52 1.23 -1.59 -0.54 0.00 0.00 174.62 174.77 1gkg s LYS 1016N -0.72 2.35 -0.60 3.99 -2.85 -1.26 -4.77 119.74 115.87 1gkg s LYS 1016Ca 0.25 1.85 -0.37 0.00 -1.00 0.00 0.00 55.97 56.70 1gkg s LYS 1016Cb -0.17 -1.85 -0.17 0.00 -2.06 0.00 0.00 37.83 33.58 1gkg s LYS 1016CO 0.14 -1.70 2.33 -2.30 0.10 0.00 0.00 175.35 173.92 1gkg n PRO 1017N -2.36 0.32 -1.93 1.78 -0.02 -1.26 -4.70 135.00 126.83 1gkg n PRO 1017Ca 0.14 0.07 -0.37 0.00 -2.02 0.00 0.00 63.50 61.31 1gkg n PRO 1017Cb 0.50 -1.86 0.03 0.00 -0.02 0.00 0.00 33.50 32.15 1gkg n PRO 1017CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1gkg s PRO 1018N 7.05 3.14 -0.14 0.52 0.02 -1.26 -4.91 135.00 139.43 1gkg s PRO 1018Ca 1.21 2.02 -0.06 0.00 0.02 0.00 0.00 61.00 64.19 1gkg s PRO 1018Cb -1.19 -2.15 0.06 0.00 0.02 0.00 0.00 34.50 31.24 1gkg s PRO 1018CO 0.55 -1.12 0.30 -1.50 -0.33 0.00 0.00 177.00 174.89 1gkg s ILE 1019N -1.43 -0.35 -0.38 2.83 2.07 -1.02 -4.60 121.20 118.32 1gkg s ILE 1019Ca 0.73 0.22 -0.24 0.00 -1.41 0.00 0.00 60.65 59.95 1gkg s ILE 1019Cb -0.35 -0.48 0.01 0.00 0.13 0.00 0.00 42.46 41.77 1gkg s ILE 1019CO 0.40 0.09 0.83 0.00 -1.91 0.00 0.00 174.94 174.36 1gkg s GLN 1021N 3.27 4.47 -0.14 0.00 2.00 0.19 -4.80 119.66 124.66 1gkg s GLN 1021Ca 0.34 1.03 -0.27 0.00 -2.00 0.00 0.00 55.36 54.45 1gkg s GLN 1021Cb -0.12 -3.45 -0.01 0.00 0.80 0.00 0.00 33.01 30.23 1gkg s GLN 1021CO 0.19 0.04 0.93 -0.98 -0.50 0.00 0.00 175.29 174.96 1gkg s ARG 1022N 0.84 4.35 -0.30 1.67 3.03 -1.26 -1.87 118.95 125.40 1gkg s ARG 1022Ca 0.41 1.21 -0.29 0.00 2.03 0.00 0.00 55.73 59.10 1gkg s ARG 1022Cb -0.19 -3.56 -0.01 0.00 -1.03 0.00 0.00 34.95 30.16 1gkg s ARG 1022CO 0.21 -0.34 1.54 0.42 -1.13 0.00 0.00 175.30 176.00 1gkg s ILE 1023N 2.15 3.78 0.25 4.99 1.01 -1.26 -4.96 121.20 127.17 1gkg s ILE 1023Ca 0.43 0.85 -0.31 0.00 0.00 0.00 0.00 60.65 61.63 1gkg s ILE 1023Cb -0.17 -3.90 -0.11 0.00 0.01 0.00 0.00 42.46 38.28 1gkg s ILE 1023CO 0.14 -0.47 1.60 -2.84 0.00 0.00 0.00 174.94 173.38 1gkg s PRO 1024N 4.84 4.15 0.00 2.79 0.02 -1.21 -4.26 135.00 141.34 1gkg s PRO 1024Ca 0.68 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.22 1gkg s PRO 1024Cb -0.20 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.26 1gkg s PRO 1024CO 0.30 -0.63 0.00 0.00 -0.33 0.00 0.00 177.00 176.34 1gkg s GLY 1026N -0.08 -0.50 0.05 0.00 0.00 -1.25 -4.80 107.32 100.74 1gkg s GLY 1026Ca 0.00 1.09 -0.37 0.00 0.00 0.00 0.00 44.72 45.44 1gkg s GLY 1026CO 0.00 0.53 0.96 1.04 0.00 0.00 0.00 173.10 175.63 1gkg n LEU 1027N 0.12 -0.21 -4.77 0.66 4.32 -1.26 -4.89 117.00 110.97 1gkg n LEU 1027Ca -0.14 1.15 -0.33 0.00 -0.02 0.00 0.00 56.01 56.68 1gkg n LEU 1027Cb 0.61 -0.94 0.05 0.00 -1.62 0.00 0.00 43.42 41.52 1gkg n LEU 1027CO 0.15 -2.11 0.74 -2.16 -1.22 0.00 0.00 177.39 172.79 1gkg s PRO 1028N -0.21 2.76 -0.59 3.23 0.04 -1.26 -4.86 135.00 134.11 1gkg s PRO 1028Ca 0.85 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.96 1gkg s PRO 1028Cb -1.19 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 31.28 1gkg s PRO 1028CO 0.57 -1.28 2.43 -2.30 0.04 0.00 0.00 177.00 176.46 1gkg n PRO 1029N -2.51 0.79 -2.52 0.56 -0.02 -1.26 -4.87 135.00 125.17 1gkg n PRO 1029Ca 0.10 0.09 -0.43 0.00 -2.02 0.00 0.00 63.50 61.24 1gkg n PRO 1029Cb 0.52 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 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 9.92 4.39 -0.32 3.45 -4.23 -1.26 -5.00 115.64 122.59 1gkg s THR 1030Ca 1.12 1.65 -0.18 0.00 -1.18 0.00 0.00 61.69 63.10 1gkg s THR 1030Cb -0.66 -4.18 -0.01 0.00 1.34 0.00 0.00 72.50 68.98 1gkg s THR 1030CO 0.39 -0.28 0.50 0.27 -0.54 0.00 0.00 174.62 174.96 1gkg s ILE 1031N 3.63 5.04 0.31 2.99 -4.36 -1.26 -5.03 121.20 122.53 1gkg s ILE 1031Ca 0.51 0.47 -0.27 0.00 -0.26 0.00 0.00 60.65 61.10 1gkg s ILE 1031Cb -0.17 -3.91 -0.14 0.00 1.25 0.00 0.00 42.46 39.49 1gkg s ILE 1031CO 0.14 -0.12 0.94 0.00 0.24 0.00 0.00 174.94 176.15 1gkg n ALA 1032N 5.66 -0.41 0.00 2.27 0.00 -1.26 -0.30 120.51 126.47 1gkg n ALA 1032Ca -0.05 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1gkg n ALA 1032Cb 0.49 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 1.16 0.00 -0.23 0.00 4.13 -1.26 -4.58 115.26 114.48 1gkg n ASN 1033Ca 0.10 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.36 1gkg n ASN 1033Cb 0.33 -0.28 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 1gkg n ASN 1033CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1gkg n GLY 1034N -1.90 -2.61 0.00 7.41 0.00 0.59 -0.99 105.19 107.69 1gkg n GLY 1034Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1gkg n GLY 1034CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gkg n ASP 1035N 0.00 0.00 -3.66 1.61 2.03 -1.26 0.10 116.55 115.37 1gkg n ASP 1035Ca 0.00 -0.81 -0.08 0.00 0.52 0.00 0.00 54.79 54.43 1gkg n ASP 1035Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 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 -5.24 -0.90 -0.45 -0.67 5.36 -1.23 -4.18 117.98 110.67 1gkg s PHE 1036Ca 0.00 1.78 0.06 0.00 -0.96 0.00 0.00 56.93 57.81 1gkg s PHE 1036Cb 0.00 0.49 0.19 0.00 -0.34 0.00 0.00 43.02 43.36 1gkg s PHE 1036CO 0.00 -0.47 0.53 -0.89 -1.46 0.00 0.00 175.22 172.92 1gkg n ILE 1037N 4.57 -0.69 0.00 3.12 5.41 0.18 -4.91 119.36 127.05 1gkg n ILE 1037Ca -0.19 -2.59 0.00 0.00 1.00 0.00 0.00 62.75 60.97 1gkg n ILE 1037Cb 0.55 -0.62 0.00 0.00 -0.71 0.00 0.00 39.64 38.86 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 2.60 0.00 -2.70 4.38 7.64 -1.26 -3.73 113.62 120.55 1gkg n SER 1038Ca 0.24 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 60.07 1gkg n SER 1038Cb 0.52 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.76 1gkg n SER 1038CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1gkg n THR 1039N 0.00 1.42 0.00 0.44 -1.04 -1.25 -5.01 114.28 108.84 1gkg n THR 1039Ca 0.00 -3.15 0.00 0.00 -2.04 0.00 0.00 64.05 58.86 1gkg n THR 1039Cb 0.00 0.85 0.00 0.00 -1.82 0.00 0.00 70.33 69.36 1gkg n THR 1039CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1gkg n ASN 1040N -0.53 0.00 -3.35 8.00 4.13 -1.26 -4.89 115.26 117.36 1gkg n ASN 1040Ca 0.13 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.21 1gkg n ASN 1040Cb 0.82 0.00 0.08 0.00 -1.54 0.00 0.00 39.78 39.15 1gkg n ASN 1040CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1gkg n ARG 1041N 0.00 -6.55 0.00 3.52 1.74 -1.26 -4.67 116.66 109.44 1gkg n ARG 1041Ca 0.00 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 1gkg n ARG 1041Cb 0.00 -5.73 0.00 0.00 -1.02 0.00 0.00 32.46 25.71 1gkg n ARG 1041CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1gkg n GLU 1042N -4.13 0.00 -3.73 5.56 2.13 -1.26 -4.86 120.64 114.35 1gkg n GLU 1042Ca -0.23 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.32 1gkg n GLU 1042Cb 0.65 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.29 1gkg n GLU 1042CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1gkg n ASN 1043N 2.84 -0.33 -4.80 4.31 0.23 -1.26 -4.86 115.26 111.39 1gkg n ASN 1043Ca 0.00 -0.90 -0.35 0.00 -0.53 0.00 0.00 54.58 52.80 1gkg n ASN 1043Cb 0.00 -1.13 -0.05 0.00 -2.08 0.00 0.00 39.78 36.51 1gkg n ASN 1043CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1gkg s PHE 1044N -3.28 3.29 0.00 -2.53 0.40 -1.26 -4.93 117.98 109.68 1gkg s PHE 1044Ca 0.31 1.64 0.00 0.00 -0.60 0.00 0.00 56.93 58.28 1gkg s PHE 1044Cb -0.18 -2.99 0.00 0.00 0.51 0.00 0.00 43.02 40.36 1gkg s PHE 1044CO 0.72 -0.37 0.00 0.72 0.70 0.00 0.00 175.22 177.00 1gkg n HIS 1045N -0.34 -0.87 0.00 0.36 8.25 -1.26 -4.41 115.22 116.94 1gkg n HIS 1045Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1gkg n HIS 1045Cb 0.52 0.49 0.00 0.00 1.12 0.00 0.00 29.99 32.12 1gkg n HIS 1045CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1gkg n TYR 1046N -2.48 0.00 0.00 4.41 9.36 -1.26 -0.22 117.16 126.97 1gkg n TYR 1046Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1gkg n TYR 1046Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 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 -0.41 2.81 3.50 2.98 0.00 -1.25 -4.97 105.19 107.84 1gkg n GLY 1047Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 -0.26 -4.01 1.61 7.64 -1.26 -4.57 113.62 112.77 1gkg n SER 1048Ca 0.00 0.97 -0.12 0.00 1.01 0.00 0.00 58.87 60.73 1gkg n SER 1048Cb 0.00 -1.17 -0.12 0.00 -1.01 0.00 0.00 64.21 61.91 1gkg n SER 1048CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1gkg s VAL 1049N -1.37 0.33 -0.05 0.44 0.11 -1.26 -2.13 120.40 116.47 1gkg s VAL 1049Ca 0.63 -0.90 -0.03 0.00 -2.93 0.00 0.00 61.98 58.75 1gkg s VAL 1049Cb -0.62 -0.42 0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1gkg s VAL 1049CO 0.58 -0.37 0.12 0.54 -3.33 0.00 0.00 175.10 172.63 1gkg s VAL 1050N -1.25 -0.02 -0.34 2.04 0.11 -0.74 -3.77 120.40 116.43 1gkg s VAL 1050Ca -0.11 0.07 -0.09 0.00 -2.93 0.00 0.00 61.98 58.92 1gkg s VAL 1050Cb -0.09 -0.19 0.02 0.00 -1.53 0.00 0.00 36.38 34.59 1gkg s VAL 1050CO -0.00 0.03 0.15 -0.89 -3.33 0.00 0.00 175.10 171.05 1gkg s THR 1051N 0.49 4.25 0.19 5.04 2.01 -1.24 -1.77 115.64 124.60 1gkg s THR 1051Ca -0.04 -0.83 -0.22 0.00 0.31 0.00 0.00 61.69 60.92 1gkg s THR 1051Cb -0.05 -3.31 -0.08 0.00 0.01 0.00 0.00 72.50 69.07 1gkg s THR 1051CO -0.02 -0.11 0.74 -0.31 -0.69 0.00 0.00 174.62 174.23 1gkg s TYR 1052N 1.51 3.77 -0.02 4.92 1.51 -0.64 -0.65 117.35 127.76 1gkg s TYR 1052Ca 0.02 1.49 0.05 0.00 -1.01 0.00 0.00 57.07 57.62 1gkg s TYR 1052Cb -0.18 -2.68 0.10 0.00 -0.11 0.00 0.00 41.96 39.09 1gkg s TYR 1052CO 0.05 0.43 1.06 0.54 -1.11 0.00 0.00 175.55 176.52 1gkg n ARG 1053N 1.18 0.11 -1.67 -0.62 1.74 -1.26 -4.78 116.66 111.35 1gkg n ARG 1053Ca -0.04 -1.21 0.00 0.00 -0.77 0.00 0.00 57.85 55.82 1gkg n ARG 1053Cb 0.50 0.38 0.00 0.00 -1.02 0.00 0.00 32.46 32.32 1gkg n ARG 1053CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gkg s ASN 1055N -4.20 4.85 1.17 0.00 -0.87 0.29 -4.57 114.94 111.61 1gkg s ASN 1055Ca 0.00 0.40 -0.19 0.00 -1.57 0.00 0.00 52.86 51.50 1gkg s ASN 1055Cb 0.00 -2.53 0.27 0.00 -0.02 0.00 0.00 41.25 38.98 1gkg s ASN 1055CO 0.00 -2.74 1.12 -0.76 -2.57 0.00 0.00 177.10 172.15 1gkg s LEU 1056N 10.76 0.87 0.12 0.60 2.01 -1.26 -4.80 118.68 126.99 1gkg s LEU 1056Ca 0.79 0.65 0.11 0.00 0.01 0.00 0.00 54.13 55.69 1gkg s LEU 1056Cb -0.13 -2.43 -0.15 0.00 0.01 0.00 0.00 46.19 43.49 1gkg s LEU 1056CO 0.18 -3.98 1.17 1.23 1.01 0.00 0.00 176.35 175.96 1gkg h GLY 1057N -2.48 0.00 0.00 -3.19 0.00 -1.88 -3.44 103.07 92.07 1gkg h GLY 1057Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1gkg h GLY 1057CO 0.36 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.34 1gkg n SER 1058N -3.23 0.00 0.00 0.19 7.64 -1.26 -5.02 113.62 111.94 1gkg n SER 1058Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1gkg n SER 1058Cb 0.90 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 1gkg n SER 1058CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1gkg n ARG 1059N -0.47 0.00 0.00 1.43 3.00 -1.26 -5.02 116.66 114.33 1gkg n ARG 1059Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1gkg n ARG 1059Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1gkg n ARG 1059CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1gkg n GLY 1060N -1.36 0.00 1.91 5.14 0.00 -1.26 -4.85 105.19 104.76 1gkg n GLY 1060Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1gkg n GLY 1060CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gkg n ARG 1061N 0.00 1.45 -3.32 1.61 1.74 -1.26 -4.77 116.66 112.11 1gkg n ARG 1061Ca 0.00 -0.58 -0.27 0.00 -0.77 0.00 0.00 57.85 56.23 1gkg n ARG 1061Cb 0.00 -1.65 0.03 0.00 -1.02 0.00 0.00 32.46 29.82 1gkg n ARG 1061CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1gkg n LYS 1062N 2.24 -1.86 -3.26 5.56 4.81 -1.26 -4.84 118.16 119.56 1gkg n LYS 1062Ca 0.25 1.52 -0.05 0.00 -0.87 0.00 0.00 58.31 59.16 1gkg n LYS 1062Cb 0.68 -2.70 -0.04 0.00 0.02 0.00 0.00 35.03 33.00 1gkg n LYS 1062CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1gkg s VAL 1063N -1.62 -0.75 0.19 3.15 -7.23 -1.26 -5.02 120.40 107.86 1gkg s VAL 1063Ca 0.30 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 60.18 1gkg s VAL 1063Cb -0.04 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.22 1gkg s VAL 1063CO 0.74 -0.21 0.00 0.49 -0.31 0.00 0.00 175.10 175.81 1gkg n PHE 1064N 4.92 -1.76 -3.76 2.82 3.72 -1.26 -4.29 117.46 117.85 1gkg n PHE 1064Ca 0.06 0.93 -0.15 0.00 -0.05 0.00 0.00 57.45 58.25 1gkg n PHE 1064Cb 0.52 -2.11 -0.16 0.00 -0.94 0.00 0.00 39.48 36.79 1gkg n PHE 1064CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1gkg s GLU 1065N -4.48 0.00 0.77 -1.08 0.41 -0.22 -4.73 118.70 109.37 1gkg s GLU 1065Ca 0.00 0.25 -0.11 0.00 -0.41 0.00 0.00 54.97 54.69 1gkg s GLU 1065Cb 0.00 -0.23 0.06 0.00 -1.78 0.00 0.00 34.13 32.18 1gkg s GLU 1065CO 0.00 -0.17 1.11 -1.17 -0.49 0.00 0.00 175.26 174.54 1gkg s LEU 1066N 1.11 3.09 0.01 1.80 2.96 -1.26 -1.30 118.68 125.08 1gkg s LEU 1066Ca -0.09 1.92 0.00 0.00 -0.22 0.00 0.00 54.13 55.74 1gkg s LEU 1066Cb -0.13 -4.53 -0.01 0.00 0.50 0.00 0.00 46.19 42.02 1gkg s LEU 1066CO -0.04 -2.09 -0.02 -0.69 -1.32 0.00 0.00 176.35 172.19 1gkg s VAL 1067N -2.74 0.11 0.00 1.68 1.01 0.92 -4.86 120.40 116.52 1gkg s VAL 1067Ca 0.63 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1gkg s VAL 1067Cb -0.19 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1gkg s VAL 1067CO 0.53 -0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1gkg n GLY 1068N 2.49 0.02 3.71 4.51 0.00 -1.26 -2.52 105.19 112.13 1gkg n GLY 1068Ca -0.17 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 1gkg n GLY 1068CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gkg s GLU 1069N 0.00 4.13 -0.19 1.61 2.12 -1.26 -4.92 118.70 120.19 1gkg s GLU 1069Ca 0.00 2.60 -0.16 0.00 0.36 0.00 0.00 54.97 57.77 1gkg s GLU 1069Cb 0.00 -3.32 -0.11 0.00 0.26 0.00 0.00 34.13 30.96 1gkg s GLU 1069CO 0.00 -0.79 -0.06 -0.35 -0.54 0.00 0.00 175.26 173.52 1gkg n PRO 1070N 4.77 0.52 -3.85 4.30 -0.04 -1.26 -3.65 135.00 135.78 1gkg n PRO 1070Ca 0.17 0.48 -0.28 0.00 -0.04 0.00 0.00 63.50 63.83 1gkg n PRO 1070Cb 0.37 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 32.13 1gkg n PRO 1070CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1gkg s SER 1071N -6.44 6.37 0.09 3.54 0.15 -1.26 -1.62 113.70 114.53 1gkg s SER 1071Ca -0.25 0.29 -0.03 0.00 0.70 0.00 0.00 55.95 56.67 1gkg s SER 1071Cb 0.05 -1.97 -0.03 0.00 -1.71 0.00 0.00 66.02 62.37 1gkg s SER 1071CO 0.43 0.07 0.05 0.27 1.20 0.00 0.00 173.24 175.25 1gkg s ILE 1072N -1.69 0.16 -0.13 6.45 -4.36 -0.73 -4.97 121.20 115.92 1gkg s ILE 1072Ca 0.36 -1.73 -0.14 0.00 -0.26 0.00 0.00 60.65 58.88 1gkg s ILE 1072Cb -0.12 -1.69 0.04 0.00 1.25 0.00 0.00 42.46 41.94 1gkg s ILE 1072CO 0.28 -0.74 0.39 -0.72 0.24 0.00 0.00 174.94 174.40 1gkg s TYR 1073N -3.96 -0.41 0.65 1.37 -0.85 -1.26 -1.79 117.35 111.10 1gkg s TYR 1073Ca 0.13 0.99 -0.17 0.00 -0.52 0.00 0.00 57.07 57.50 1gkg s TYR 1073Cb 0.07 0.15 -0.00 0.00 0.38 0.00 0.00 41.96 42.56 1gkg s TYR 1073CO -0.06 -0.23 1.19 0.00 -1.52 0.00 0.00 175.55 174.93 1gkg n THR 1075N -2.14 0.00 -3.69 0.00 5.66 0.29 -3.89 114.28 110.51 1gkg n THR 1075Ca 0.13 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.99 1gkg n THR 1075Cb 0.50 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.20 1gkg n THR 1075CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1gkg s SER 1076N 1.00 -0.42 0.00 1.09 0.15 -1.23 -3.74 113.70 110.56 1gkg s SER 1076Ca 0.00 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.23 1gkg s SER 1076Cb 0.00 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 1gkg s SER 1076CO 0.00 -0.36 0.00 -0.46 1.20 0.00 0.00 173.24 173.62 1gkg n ASN 1077N 1.85 0.00 -2.34 5.45 2.04 -1.26 -4.98 115.26 116.02 1gkg n ASN 1077Ca -0.18 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.96 1gkg n ASN 1077Cb 0.56 0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.82 1gkg n ASN 1077CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1gkg n ASP 1078N -1.39 0.00 0.00 0.53 9.92 -1.26 -5.00 116.55 119.36 1gkg n ASP 1078Ca 0.00 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.06 1gkg n ASP 1078Cb 0.00 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 40.34 1gkg n ASP 1078CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 1gkg h ASP 1079N 0.00 0.33 0.00 -2.24 2.03 -2.03 -3.46 116.42 111.05 1gkg h ASP 1079Ca 0.00 -0.87 -0.01 0.00 -0.73 0.00 0.00 57.03 55.42 1gkg h ASP 1079Cb 0.00 -0.11 -0.01 0.00 -0.83 0.00 0.00 39.33 38.38 1gkg h ASP 1079CO 0.00 1.45 -0.03 0.00 -1.03 0.00 0.00 179.24 179.64 1gkg n GLN 1080N -4.13 0.01 0.08 4.15 10.64 -1.26 -5.00 117.38 121.87 1gkg n GLN 1080Ca -0.20 -0.09 -0.13 0.00 -1.83 0.00 0.00 57.00 54.75 1gkg n GLN 1080Cb 0.80 0.47 -0.07 0.00 -0.86 0.00 0.00 30.24 30.59 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1gkg h VAL 1081N 0.44 1.45 -2.19 -0.39 2.07 -1.89 -3.39 116.25 112.36 1gkg h VAL 1081Ca -0.05 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.79 1gkg h VAL 1081Cb 0.61 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1gkg h VAL 1081CO -0.03 0.79 0.00 0.61 0.02 0.00 0.00 177.57 178.97 1gkg n GLY 1082N 1.12 0.79 3.74 2.17 0.00 -1.17 -4.24 105.19 107.60 1gkg n GLY 1082Ca -0.07 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 1gkg n GLY 1082CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gkg s ILE 1083N -2.73 4.56 0.47 -0.61 1.09 -1.25 -3.75 121.20 118.98 1gkg s ILE 1083Ca 0.00 1.89 -0.08 0.00 -1.10 0.00 0.00 60.65 61.36 1gkg s ILE 1083Cb 0.00 -4.24 0.11 0.00 -1.06 0.00 0.00 42.46 37.28 1gkg s ILE 1083CO 0.00 0.35 0.46 0.79 -0.10 0.00 0.00 174.94 176.45 1gkg n TRP 1084N 2.67 -3.53 0.00 3.97 7.02 -1.26 -0.55 117.44 125.77 1gkg n TRP 1084Ca -0.00 -0.42 0.00 0.00 -1.02 0.00 0.00 57.50 56.06 1gkg n TRP 1084Cb 0.49 -0.45 0.00 0.00 -2.42 0.00 0.00 31.31 28.94 1gkg n TRP 1084CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1gkg n SER 1085N -3.64 0.00 0.00 -0.99 2.88 -0.23 -4.36 113.62 107.28 1gkg n SER 1085Ca 0.06 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1gkg n SER 1085Cb 0.24 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 1gkg n SER 1085CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gkg n GLY 1086N -0.94 1.34 3.75 0.46 0.00 -1.26 -5.03 105.19 103.51 1gkg n GLY 1086Ca 0.00 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1gkg n GLY 1086CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gkg s PRO 1087N -0.74 4.39 0.00 1.61 0.04 -1.26 -4.78 135.00 134.25 1gkg s PRO 1087Ca 0.00 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1gkg s PRO 1087Cb 0.00 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1gkg s PRO 1087CO 0.00 -0.22 0.00 0.00 0.04 0.00 0.00 177.00 176.82 1gkg n ALA 1088N 2.05 0.00 -1.56 8.56 0.00 -1.26 -5.14 120.51 123.16 1gkg n ALA 1088Ca 0.04 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.02 1gkg n ALA 1088Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 1gkg n ALA 1088CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1gkg n PRO 1089N -1.71 1.12 -3.73 0.00 -0.02 -1.24 -4.75 135.00 124.67 1gkg n PRO 1089Ca 0.00 0.40 -0.12 0.00 -2.02 0.00 0.00 63.50 61.76 1gkg n PRO 1089Cb 0.00 -1.77 -0.11 0.00 -0.02 0.00 0.00 33.50 31.60 1gkg n PRO 1089CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1gkg s GLN 1090N -1.07 0.36 -0.07 -0.52 -2.07 -1.05 -4.88 119.66 110.37 1gkg s GLN 1090Ca 0.65 0.60 -0.19 0.00 -1.82 0.00 0.00 55.36 54.59 1gkg s GLN 1090Cb -0.78 0.06 -0.05 0.00 -1.09 0.00 0.00 33.01 31.15 1gkg s GLN 1090CO 0.57 -0.11 0.52 0.00 -1.32 0.00 0.00 175.29 174.95