#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 -2.68 4.31 0.00 -1.26 -5.07 120.51 115.81 1gkg n ALA 958 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1gkg n ALA 958 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1gkg n ALA 958 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1gkg n GLU 959 N 0.00 0.65 -0.90 0.00 2.13 -1.26 -5.02 120.64 116.23 1gkg n GLU 959 Ca 0.00 -1.22 -0.15 0.00 0.66 0.00 0.00 57.16 56.45 1gkg n GLU 959 Cb 0.00 -0.05 -0.12 0.00 0.27 0.00 0.00 31.44 31.54 1gkg n GLU 959 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1gkg n ALA 960 N -0.50 5.77 -2.25 4.31 0.00 -1.26 -4.90 120.51 121.67 1gkg n ALA 960 Ca -0.15 -1.85 -0.41 0.00 0.00 0.00 0.00 53.44 51.02 1gkg n ALA 960 Cb 0.74 -2.50 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 1gkg n ALA 960 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1gkg s LYS 961 N 1.57 4.61 -0.20 0.00 -0.14 -1.26 -5.04 119.74 119.29 1gkg s LYS 961 Ca 0.57 1.59 -0.15 0.00 -1.36 0.00 0.00 55.97 56.62 1gkg s LYS 961 Cb 0.25 -3.34 0.06 0.00 -1.68 0.00 0.00 37.83 33.11 1gkg s LYS 961 CO -0.01 0.07 0.51 -1.12 -0.76 0.00 0.00 175.35 174.05 1gkg s SER 962 N 0.19 -0.60 0.16 2.83 0.01 -1.26 -3.51 113.70 111.52 1gkg s SER 962 Ca 0.50 1.07 -0.30 0.00 1.31 0.00 0.00 55.95 58.53 1gkg s SER 962 Cb -0.26 1.02 -0.07 0.00 0.21 0.00 0.00 66.02 66.92 1gkg s SER 962 CO 0.31 -0.19 0.96 0.00 0.41 0.00 0.00 173.24 174.73 1gkg s LYS 964 N -0.44 4.23 0.03 0.00 2.20 -1.26 -4.65 119.74 119.85 1gkg s LYS 964 Ca 0.45 2.39 -0.32 0.00 -0.36 0.00 0.00 55.97 58.12 1gkg s LYS 964 Cb -0.24 -3.04 -0.11 0.00 -1.51 0.00 0.00 37.83 32.93 1gkg s LYS 964 CO 0.31 -0.39 1.86 -2.37 -0.36 0.00 0.00 175.35 174.39 1gkg n THR 965 N 1.07 0.50 -1.94 3.43 5.66 -1.26 -4.88 114.28 116.87 1gkg n THR 965 Ca 0.02 -0.09 -0.42 0.00 -3.05 0.00 0.00 64.05 60.52 1gkg n THR 965 Cb 0.40 -2.00 -0.03 0.00 -1.55 0.00 0.00 70.33 67.15 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 3.43 3.12 0.27 1.09 0.04 -1.26 -4.95 135.00 136.74 1gkg s PRO 966 Ca 0.87 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 1gkg s PRO 966 Cb -0.58 -4.27 -0.11 0.00 0.04 0.00 0.00 34.50 29.58 1gkg s PRO 966 CO 0.44 -2.12 1.57 -2.14 0.04 0.00 0.00 177.00 174.79 1gkg s PRO 967 N 6.12 4.16 -0.42 0.56 0.02 -1.26 -4.66 135.00 139.52 1gkg s PRO 967 Ca 0.81 2.51 -0.32 0.00 0.02 0.00 0.00 61.00 64.03 1gkg s PRO 967 Cb -0.22 -3.05 -0.10 0.00 0.02 0.00 0.00 34.50 31.15 1gkg s PRO 967 CO 0.31 -0.59 2.30 -0.25 -0.33 0.00 0.00 177.00 178.43 1gkg n ASP 968 N 2.39 2.18 -2.65 2.53 8.00 -1.26 -4.93 116.55 122.81 1gkg n ASP 968 Ca 0.09 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1gkg n ASP 968 Cb 0.38 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 1gkg n ASP 968 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1gkg n PRO 969 N 8.50 3.03 -1.35 -0.24 -0.04 -1.04 -4.80 135.00 139.07 1gkg n PRO 969 Ca 0.41 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.77 1gkg n PRO 969 Cb 0.31 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.68 1gkg n PRO 969 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1gkg n VAL 970 N 0.00 0.00 0.00 0.52 3.14 -1.26 -3.10 118.33 117.63 1gkg n VAL 970 Ca 0.00 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 1gkg n VAL 970 Cb 0.00 -0.89 0.00 0.00 -1.06 0.00 0.00 33.84 31.89 1gkg n VAL 970 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1gkg n ASN 971 N 11.48 0.00 -4.77 6.55 3.02 -1.26 -4.37 115.26 125.92 1gkg n ASN 971 Ca 0.31 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.50 1gkg n ASN 971 Cb 0.42 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 1gkg n ASN 971 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1gkg s GLY 972 N -0.16 2.76 -0.06 7.41 0.00 -1.18 -3.75 107.32 112.34 1gkg s GLY 972 Ca 0.00 0.97 -0.03 0.00 0.00 0.00 0.00 44.72 45.66 1gkg s GLY 972 CO 0.00 1.41 0.13 1.06 0.00 0.00 0.00 173.10 175.70 1gkg s MET 973 N -2.87 0.09 0.37 2.90 -1.94 -0.12 -2.49 119.30 115.23 1gkg s MET 973 Ca 0.67 0.32 -0.10 0.00 -1.71 0.00 0.00 55.69 54.87 1gkg s MET 973 Cb -0.29 -0.14 -0.06 0.00 2.01 0.00 0.00 34.83 36.34 1gkg s MET 973 CO 0.35 -0.14 0.72 0.54 -0.01 0.00 0.00 175.02 176.48 1gkg s VAL 974 N 0.97 4.82 -0.39 -6.03 0.11 -1.26 -1.42 120.40 117.20 1gkg s VAL 974 Ca -0.08 0.55 -0.01 0.00 -2.93 0.00 0.00 61.98 59.51 1gkg s VAL 974 Cb -0.10 -3.71 0.11 0.00 -1.53 0.00 0.00 36.38 31.15 1gkg s VAL 974 CO -0.05 -0.43 0.17 -1.00 -3.33 0.00 0.00 175.10 170.46 1gkg s HIS 975 N -2.26 3.63 -0.40 1.54 3.76 0.22 -4.93 115.29 116.85 1gkg s HIS 975 Ca 0.50 -2.55 -0.27 0.00 -0.15 0.00 0.00 55.06 52.58 1gkg s HIS 975 Cb -0.10 -3.16 -0.03 0.00 1.11 0.00 0.00 32.58 30.40 1gkg s HIS 975 CO 0.29 -0.97 1.99 0.08 -0.85 0.00 0.00 174.74 175.28 1gkg s VAL 976 N 1.09 3.29 0.00 -0.90 1.01 -1.26 -2.39 120.40 121.23 1gkg s VAL 976 Ca 0.09 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1gkg s VAL 976 Cb -0.22 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1gkg s VAL 976 CO -0.05 -0.39 0.00 -0.38 0.00 0.00 0.00 175.10 174.28 1gkg n ILE 977 N 7.53 0.00 0.10 2.22 5.41 -1.22 -4.77 119.36 128.63 1gkg n ILE 977 Ca 0.26 0.07 -0.10 0.00 1.00 0.00 0.00 62.75 63.98 1gkg n ILE 977 Cb 0.49 -0.30 -0.06 0.00 -0.71 0.00 0.00 39.64 39.05 1gkg n ILE 977 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1gkg h THR 978 N 0.00 0.55 0.00 1.39 1.35 -1.91 -3.50 112.91 110.78 1gkg h THR 978 Ca 0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1gkg h THR 978 Cb 0.00 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 1gkg h THR 978 CO 0.00 0.14 0.00 -0.90 -0.25 0.00 0.00 175.52 174.51 1gkg n ASP 979 N -5.00 0.36 -0.08 5.36 5.75 -1.26 -5.06 116.55 116.61 1gkg n ASP 979 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 1gkg n ASP 979 Cb 0.24 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 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 -2.13 2.12 -5.35 -1.26 -4.74 119.36 108.01 1gkg n ILE 980 Ca 0.00 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.31 1gkg n ILE 980 Cb 0.00 0.29 0.10 0.00 -1.74 0.00 0.00 39.64 38.30 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 0.00 -0.27 -1.56 6.28 6.02 -1.26 -0.89 117.38 125.69 1gkg n GLN 981 Ca 0.00 -1.62 -0.45 0.00 -0.01 0.00 0.00 57.00 54.92 1gkg n GLN 981 Cb 0.51 -0.63 -0.02 0.00 1.02 0.00 0.00 30.24 31.12 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 -2.71 2.00 0.00 5.09 0.31 -1.23 -1.64 118.33 120.15 1gkg n VAL 982 Ca 0.11 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1gkg n VAL 982 Cb 0.39 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 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 1.33 1.63 3.72 2.92 0.00 -0.71 -4.95 105.19 109.12 1gkg n GLY 983 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 6.77 0.31 1.61 1.04 -0.65 -4.69 113.70 118.09 1gkg s SER 984 Ca 0.00 2.40 0.06 0.00 0.48 0.00 0.00 55.95 58.90 1gkg s SER 984 Cb 0.00 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 1gkg s SER 984 CO 0.00 -0.69 0.39 -0.13 0.98 0.00 0.00 173.24 173.79 1gkg s ARG 985 N 1.02 3.10 -0.14 4.02 0.52 -1.26 -2.20 118.95 124.01 1gkg s ARG 985 Ca 0.65 -1.01 -0.13 0.00 -0.52 0.00 0.00 55.73 54.72 1gkg s ARG 985 Cb -0.39 -2.75 0.04 0.00 0.52 0.00 0.00 34.95 32.37 1gkg s ARG 985 CO 0.31 0.18 0.38 0.96 0.02 0.00 0.00 175.30 177.15 1gkg s ILE 986 N -2.15 -0.00 -0.25 1.52 -4.36 -0.35 -3.40 121.20 112.21 1gkg s ILE 986 Ca 0.41 0.00 -0.09 0.00 -0.26 0.00 0.00 60.65 60.71 1gkg s ILE 986 Cb -0.09 -0.54 -0.04 0.00 1.25 0.00 0.00 42.46 43.05 1gkg s ILE 986 CO 0.29 0.00 0.12 0.42 0.24 0.00 0.00 174.94 176.01 1gkg s THR 987 N 0.21 4.85 0.30 8.37 -4.23 -1.01 -2.38 115.64 121.75 1gkg s THR 987 Ca -0.00 0.01 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 1gkg s THR 987 Cb -0.03 -3.27 -0.05 0.00 1.34 0.00 0.00 72.50 70.49 1gkg s THR 987 CO 0.00 0.33 0.56 -0.31 -0.54 0.00 0.00 174.62 174.67 1gkg s TYR 988 N 1.39 3.48 -0.29 3.99 1.51 0.17 0.71 117.35 128.31 1gkg s TYR 988 Ca 0.06 0.61 -0.12 0.00 -1.01 0.00 0.00 57.07 56.62 1gkg s TYR 988 Cb -0.15 -2.09 0.12 0.00 -0.11 0.00 0.00 41.96 39.73 1gkg s TYR 988 CO 0.06 0.15 0.67 -1.12 -1.11 0.00 0.00 175.55 174.20 1gkg s SER 989 N -3.31 -1.08 -1.44 2.29 0.01 -0.51 -4.37 113.70 105.29 1gkg s SER 989 Ca 0.44 1.54 -0.12 0.00 1.31 0.00 0.00 55.95 59.11 1gkg s SER 989 Cb -0.11 2.05 0.05 0.00 0.21 0.00 0.00 66.02 68.23 1gkg s SER 989 CO 0.31 -0.22 2.27 0.00 0.41 0.00 0.00 173.24 176.02 1gkg n THR 991 N 4.40 0.00 -0.11 0.00 -2.24 -1.25 -3.28 114.28 111.80 1gkg n THR 991 Ca 0.54 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 62.08 1gkg n THR 991 Cb 0.36 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.47 1gkg n THR 991 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1gkg n THR 992 N 0.00 1.55 -1.26 4.28 5.66 -1.26 -4.52 114.28 118.74 1gkg n THR 992 Ca 0.00 -0.43 -0.26 0.00 -3.05 0.00 0.00 64.05 60.31 1gkg n THR 992 Cb 0.00 -1.73 0.02 0.00 -1.55 0.00 0.00 70.33 67.07 1gkg n THR 992 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1gkg n GLY 993 N 1.71 4.70 3.53 1.09 0.00 -1.26 -4.86 105.19 110.10 1gkg n GLY 993 Ca -0.46 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.46 -0.81 -0.03 1.61 4.02 -1.21 -4.39 115.29 112.03 1gkg s HIS 994 Ca 0.48 1.79 -0.28 0.00 1.02 0.00 0.00 55.06 58.07 1gkg s HIS 994 Cb 0.36 0.38 -0.03 0.00 -1.02 0.00 0.00 32.58 32.27 1gkg s HIS 994 CO -0.11 -0.40 0.89 0.50 1.02 0.00 0.00 174.74 176.64 1gkg s ARG 995 N 0.93 4.51 -0.67 1.40 3.52 0.70 -4.53 118.95 124.81 1gkg s ARG 995 Ca -0.05 1.24 -0.27 0.00 -0.13 0.00 0.00 55.73 56.52 1gkg s ARG 995 Cb -0.05 -3.46 0.01 0.00 -1.56 0.00 0.00 34.95 29.88 1gkg s ARG 995 CO -0.08 -0.03 1.56 -1.17 -0.81 0.00 0.00 175.30 174.77 1gkg s LEU 996 N 1.01 3.23 -0.80 -0.88 0.20 -1.26 -1.81 118.68 118.36 1gkg s LEU 996 Ca 0.47 -0.05 -0.05 0.00 0.69 0.00 0.00 54.13 55.18 1gkg s LEU 996 Cb -0.20 -2.56 0.00 0.00 -0.43 0.00 0.00 46.19 43.00 1gkg s LEU 996 CO 0.24 -2.09 2.82 -0.38 -0.29 0.00 0.00 176.35 176.65 1gkg n ILE 997 N 6.79 4.01 0.00 6.68 2.08 0.20 -4.66 119.36 134.47 1gkg n ILE 997 Ca 0.12 -3.11 0.00 0.00 0.56 0.00 0.00 62.75 60.31 1gkg n ILE 997 Cb 0.50 -1.95 0.00 0.00 -0.75 0.00 0.00 39.64 37.45 1gkg n ILE 997 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1gkg n GLY 998 N 1.77 2.45 2.96 7.39 0.00 -1.25 -2.51 105.19 116.01 1gkg n GLY 998 Ca 0.56 0.13 -0.06 0.00 0.00 0.00 0.00 46.02 46.64 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 2.15 -0.99 0.10 1.61 3.76 -1.26 -5.02 115.29 115.63 1gkg s HIS 999 Ca 0.00 1.01 -0.28 0.00 -0.15 0.00 0.00 55.06 55.64 1gkg s HIS 999 Cb 0.00 0.13 -0.12 0.00 1.11 0.00 0.00 32.58 33.70 1gkg s HIS 999 CO 0.00 -0.75 1.65 0.66 -0.85 0.00 0.00 174.74 175.44 1gkg h SER 1000N 8.15 -0.67 -3.65 1.40 4.64 -1.92 -3.41 113.55 118.08 1gkg h SER 1000Ca -0.20 0.06 -0.51 0.00 -0.47 0.00 0.00 61.79 60.67 1gkg h SER 1000Cb 1.16 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.47 1gkg h SER 1000CO 0.27 -0.37 0.41 -0.94 -0.87 0.00 0.00 176.83 175.33 1gkg s SER 1001N -4.74 7.44 -0.04 4.97 1.04 -1.26 0.42 113.70 121.53 1gkg s SER 1001Ca -0.16 1.99 -0.28 0.00 0.48 0.00 0.00 55.95 57.99 1gkg s SER 1001Cb 0.06 -2.60 0.06 0.00 0.10 0.00 0.00 66.02 63.64 1gkg s SER 1001CO 0.64 -0.06 0.61 0.00 0.98 0.00 0.00 173.24 175.41 1gkg s ALA 1002N -0.56 -1.57 -0.03 5.32 0.00 -1.00 -4.89 121.76 119.02 1gkg s ALA 1002Ca 0.46 1.12 0.01 0.00 0.00 0.00 0.00 51.96 53.55 1gkg s ALA 1002Cb -0.27 0.02 0.02 0.00 0.00 0.00 0.00 23.12 22.89 1gkg s ALA 1002CO 0.33 -0.35 -0.04 -1.83 0.00 0.00 0.00 175.76 173.87 1gkg s GLU 1003N -1.23 0.67 -0.77 0.00 -1.05 -1.26 -1.21 118.70 113.85 1gkg s GLU 1003Ca -0.11 -0.10 -0.25 0.00 -0.15 0.00 0.00 54.97 54.35 1gkg s GLU 1003Cb -0.01 -0.70 -0.06 0.00 -0.44 0.00 0.00 34.13 32.92 1gkg s GLU 1003CO 0.09 -0.04 2.08 0.00 0.95 0.00 0.00 175.26 178.34 1gkg n ILE 1005N 7.94 0.00 -3.65 0.00 -5.35 -0.23 -1.74 119.36 116.33 1gkg n ILE 1005Ca 0.37 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.82 1gkg n ILE 1005Cb 0.48 -1.63 -0.05 0.00 -1.74 0.00 0.00 39.64 36.69 1gkg n ILE 1005CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1gkg s LEU 1006N 0.00 -1.02 -0.13 7.28 2.96 -1.26 -1.85 118.68 124.66 1gkg s LEU 1006Ca 0.00 1.45 -0.14 0.00 -0.22 0.00 0.00 54.13 55.22 1gkg s LEU 1006Cb 0.00 2.12 -0.12 0.00 0.50 0.00 0.00 46.19 48.68 1gkg s LEU 1006CO 0.00 -0.22 0.32 0.28 -1.32 0.00 0.00 176.35 175.40 1gkg h SER 1007N 7.94 0.00 0.00 3.68 0.02 -1.93 -3.48 113.55 119.78 1gkg h SER 1007Ca -0.19 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 1gkg h SER 1007Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1gkg h SER 1007CO 0.11 0.80 0.00 0.61 -1.14 0.00 0.00 176.83 177.21 1gkg n GLY 1008N 1.67 0.00 0.31 -3.77 0.00 -1.26 -5.04 105.19 97.11 1gkg n GLY 1008Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1gkg n GLY 1008CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gkg n ASN 1009N 0.00 0.00 -3.72 1.61 4.05 -1.26 -5.15 115.26 110.79 1gkg n ASN 1009Ca 0.00 0.00 -0.14 0.00 0.45 0.00 0.00 54.58 54.89 1gkg n ASN 1009Cb 0.00 0.08 -0.09 0.00 1.23 0.00 0.00 39.78 41.00 1gkg n ASN 1009CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1gkg s THR 1010N -1.71 0.03 0.20 -0.44 2.01 -1.26 -5.12 115.64 109.35 1gkg s THR 1010Ca 0.00 -0.26 -0.30 0.00 0.31 0.00 0.00 61.69 61.44 1gkg s THR 1010Cb 0.00 -0.64 -0.08 0.00 0.01 0.00 0.00 72.50 71.78 1gkg s THR 1010CO 0.00 -0.14 1.18 0.00 -0.69 0.00 0.00 174.62 174.97 1gkg s ALA 1011N -0.80 3.43 -0.07 7.40 0.00 -1.26 -4.26 121.76 126.20 1gkg s ALA 1011Ca -0.09 0.94 -0.13 0.00 0.00 0.00 0.00 51.96 52.68 1gkg s ALA 1011Cb -0.04 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.71 1gkg s ALA 1011CO 0.04 -0.34 0.32 -1.01 0.00 0.00 0.00 175.76 174.77 1gkg s HIS 1012N -0.25 -0.27 0.07 0.00 3.76 -0.77 -4.37 115.29 113.46 1gkg s HIS 1012Ca 0.51 0.58 -0.31 0.00 -0.15 0.00 0.00 55.06 55.69 1gkg s HIS 1012Cb -0.33 0.11 -0.07 0.00 1.11 0.00 0.00 32.58 33.40 1gkg s HIS 1012CO 0.38 -0.29 1.40 -1.58 -0.85 0.00 0.00 174.74 173.80 1gkg s TRP 1013N -0.58 3.09 0.58 1.40 0.52 -1.26 -1.07 118.94 121.61 1gkg s TRP 1013Ca -0.07 0.90 0.29 0.00 0.02 0.00 0.00 56.10 57.24 1gkg s TRP 1013Cb -0.04 -3.68 1.48 0.00 -1.15 0.00 0.00 33.47 30.09 1gkg s TRP 1013CO 0.02 -2.42 1.90 1.03 0.02 0.00 0.00 176.95 177.51 1gkg h SER 1014N 7.21 0.00 -3.36 2.95 0.87 -1.82 -3.40 113.55 116.01 1gkg h SER 1014Ca -0.41 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.59 1gkg h SER 1014Cb 1.20 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.11 1gkg h SER 1014CO 0.88 0.00 0.07 0.42 -0.53 0.00 0.00 176.83 177.67 1gkg s THR 1015N -4.65 5.01 0.74 2.23 -4.23 -1.26 -5.05 115.64 108.43 1gkg s THR 1015Ca -0.04 1.41 -0.14 0.00 -1.18 0.00 0.00 61.69 61.74 1gkg s THR 1015Cb 0.16 -4.02 0.04 0.00 1.34 0.00 0.00 72.50 70.02 1gkg s THR 1015CO 0.57 0.28 1.16 -1.59 -0.54 0.00 0.00 174.62 174.50 1gkg s LYS 1016N 0.62 2.17 -0.48 3.99 -2.85 -1.26 -4.79 119.74 117.14 1gkg s LYS 1016Ca 0.36 1.59 -0.44 0.00 -1.00 0.00 0.00 55.97 56.48 1gkg s LYS 1016Cb -0.18 -1.86 -0.18 0.00 -2.06 0.00 0.00 37.83 33.55 1gkg s LYS 1016CO 0.18 -1.77 2.02 -2.30 0.10 0.00 0.00 175.35 173.58 1gkg n PRO 1017N -2.91 0.16 -2.20 1.78 -0.02 -1.26 -4.76 135.00 125.78 1gkg n PRO 1017Ca 0.12 0.05 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 1gkg n PRO 1017Cb 0.51 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 32.34 1gkg n PRO 1017CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1gkg s PRO 1018N 5.31 4.33 0.08 0.52 0.04 -1.26 -4.92 135.00 139.10 1gkg s PRO 1018Ca 1.15 2.02 0.08 0.00 0.04 0.00 0.00 61.00 64.30 1gkg s PRO 1018Cb -1.42 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 29.77 1gkg s PRO 1018CO 0.68 -0.44 -0.19 -1.50 0.04 0.00 0.00 177.00 175.58 1gkg s ILE 1019N 1.34 2.75 0.20 0.56 2.07 -1.04 -4.85 121.20 122.23 1gkg s ILE 1019Ca 0.64 -1.35 0.06 0.00 -1.41 0.00 0.00 60.65 58.59 1gkg s ILE 1019Cb -0.35 -2.20 -0.04 0.00 0.13 0.00 0.00 42.46 40.01 1gkg s ILE 1019CO 0.29 0.23 0.13 0.00 -1.91 0.00 0.00 174.94 173.69 1gkg s GLN 1021N -3.35 0.43 0.25 0.00 0.74 -0.75 -4.86 119.66 112.12 1gkg s GLN 1021Ca 0.31 1.05 -0.31 0.00 0.05 0.00 0.00 55.36 56.46 1gkg s GLN 1021Cb -0.09 0.29 -0.12 0.00 1.10 0.00 0.00 33.01 34.19 1gkg s GLN 1021CO 0.23 -0.20 1.65 -2.13 -0.55 0.00 0.00 175.29 174.28 1gkg n ARG 1022N 4.95 2.70 -2.33 1.67 0.63 -1.26 -0.21 116.66 122.80 1gkg n ARG 1022Ca -0.15 0.97 -0.42 0.00 -0.92 0.00 0.00 57.85 57.32 1gkg n ARG 1022Cb 0.52 -2.77 -0.03 0.00 0.45 0.00 0.00 32.46 30.63 1gkg n ARG 1022CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1gkg s ILE 1023N 0.53 4.05 -0.03 5.15 1.01 -1.26 -4.81 121.20 125.84 1gkg s ILE 1023Ca 0.69 1.34 -0.25 0.00 0.00 0.00 0.00 60.65 62.43 1gkg s ILE 1023Cb -0.51 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 1gkg s ILE 1023CO 0.41 -0.06 0.77 -2.16 0.00 0.00 0.00 174.94 173.89 1gkg s PRO 1024N 3.02 4.47 -0.21 2.79 0.04 -1.20 -4.33 135.00 139.59 1gkg s PRO 1024Ca 0.60 1.02 0.01 0.00 0.04 0.00 0.00 61.00 62.67 1gkg s PRO 1024Cb -0.26 -3.43 0.26 0.00 0.04 0.00 0.00 34.50 31.10 1gkg s PRO 1024CO 0.21 0.08 1.53 0.00 0.04 0.00 0.00 177.00 178.86 1gkg n GLY 1026N -0.03 2.48 3.14 0.00 0.00 -1.25 -4.30 105.19 105.22 1gkg n GLY 1026Ca 0.25 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 1gkg n GLY 1026CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gkg s LEU 1027N 0.00 1.97 0.80 0.99 2.96 -1.26 -4.46 118.68 119.68 1gkg s LEU 1027Ca 0.00 -0.53 -0.13 0.00 -0.22 0.00 0.00 54.13 53.25 1gkg s LEU 1027Cb 0.00 -1.30 0.08 0.00 0.50 0.00 0.00 46.19 45.46 1gkg s LEU 1027CO 0.00 0.08 1.19 -2.16 -1.32 0.00 0.00 176.35 174.14 1gkg s PRO 1028N 0.74 1.71 0.12 0.98 0.04 -1.26 -4.90 135.00 132.43 1gkg s PRO 1028Ca -0.10 1.70 -0.32 0.00 0.04 0.00 0.00 61.00 62.32 1gkg s PRO 1028Cb -0.16 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 1gkg s PRO 1028CO 0.01 -2.15 1.79 -0.35 0.04 0.00 0.00 177.00 176.34 1gkg n PRO 1029N -3.29 2.65 -3.52 0.56 -0.04 -1.26 -4.98 135.00 125.12 1gkg n PRO 1029Ca 0.13 0.96 -0.31 0.00 -0.04 0.00 0.00 63.50 64.24 1gkg n PRO 1029Cb 0.51 -2.83 -0.05 0.00 -0.04 0.00 0.00 33.50 31.09 1gkg n PRO 1029CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1gkg s THR 1030N 2.38 5.06 -0.04 0.52 2.01 -1.26 -4.45 115.64 119.85 1gkg s THR 1030Ca 0.82 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.96 1gkg s THR 1030Cb -0.53 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.35 1gkg s THR 1030CO 0.38 -0.09 0.10 0.27 -0.69 0.00 0.00 174.62 174.60 1gkg s ILE 1031N -1.81 -0.03 0.90 1.82 -4.36 -1.26 -4.96 121.20 111.50 1gkg s ILE 1031Ca 0.44 0.10 -0.11 0.00 -0.26 0.00 0.00 60.65 60.82 1gkg s ILE 1031Cb -0.11 -0.17 0.13 0.00 1.25 0.00 0.00 42.46 43.56 1gkg s ILE 1031CO 0.25 0.04 1.09 0.00 0.24 0.00 0.00 174.94 176.56 1gkg s ALA 1032N 0.65 1.47 0.00 2.27 0.00 -1.26 -3.62 121.76 121.27 1gkg s ALA 1032Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1gkg s ALA 1032Cb -0.07 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1gkg s ALA 1032CO -0.03 -2.44 0.00 0.09 0.00 0.00 0.00 175.76 173.38 1gkg n ASN 1033N -3.96 0.00 -3.64 0.00 4.13 -1.26 -4.79 115.26 105.74 1gkg n ASN 1033Ca 0.08 0.00 -0.07 0.00 1.68 0.00 0.00 54.58 56.27 1gkg n ASN 1033Cb 0.54 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.72 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 -0.12 -0.26 7.41 0.00 -1.24 -1.52 107.32 111.60 1gkg s GLY 1034Ca 0.00 2.82 -0.26 0.00 0.00 0.00 0.00 44.72 47.28 1gkg s GLY 1034CO 0.00 2.09 1.14 0.51 0.00 0.00 0.00 173.10 176.84 1gkg s ASP 1035N 0.62 -0.32 0.13 1.64 1.47 -1.25 -4.29 116.67 114.68 1gkg s ASP 1035Ca -0.01 0.55 0.00 0.00 1.18 0.00 0.00 52.55 54.27 1gkg s ASP 1035Cb -0.05 0.54 0.00 0.00 -0.34 0.00 0.00 42.92 43.07 1gkg s ASP 1035CO -0.10 -0.15 0.00 0.33 0.68 0.00 0.00 175.17 175.93 1gkg n PHE 1036N 1.66 -4.99 -2.91 2.11 7.35 -1.23 -4.82 117.46 114.63 1gkg n PHE 1036Ca -0.11 2.99 -0.13 0.00 -0.76 0.00 0.00 57.45 59.45 1gkg n PHE 1036Cb 0.57 -3.79 0.04 0.00 0.35 0.00 0.00 39.48 36.65 1gkg n PHE 1036CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1gkg n ILE 1037N 1.90 -0.07 0.00 -2.13 5.41 0.22 -4.89 119.36 119.80 1gkg n ILE 1037Ca 0.00 -2.72 0.00 0.00 1.00 0.00 0.00 62.75 61.03 1gkg n ILE 1037Cb 0.00 0.80 0.00 0.00 -0.71 0.00 0.00 39.64 39.73 1gkg n ILE 1037CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1gkg n SER 1038N 0.33 2.88 -4.41 4.38 2.88 -1.26 -3.93 113.62 114.48 1gkg n SER 1038Ca 0.14 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.34 1gkg n SER 1038Cb 0.68 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 64.01 1gkg n SER 1038CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1gkg s THR 1039N 0.48 3.45 0.00 2.46 2.01 -1.22 -4.83 115.64 117.99 1gkg s THR 1039Ca 0.00 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.49 1gkg s THR 1039Cb 0.00 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 70.01 1gkg s THR 1039CO 0.00 0.49 0.00 -3.20 -0.69 0.00 0.00 174.62 171.22 1gkg n ASN 1040N 3.76 0.00 -3.15 3.53 2.85 -1.26 -4.03 115.26 116.97 1gkg n ASN 1040Ca -0.18 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.24 1gkg n ASN 1040Cb 0.52 0.00 0.02 0.00 1.24 0.00 0.00 39.78 41.56 1gkg n ASN 1040CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1gkg n ARG 1041N 0.00 -1.52 0.00 1.20 1.74 -1.26 -4.80 116.66 112.02 1gkg n ARG 1041Ca 0.00 1.31 0.00 0.00 -0.77 0.00 0.00 57.85 58.39 1gkg n ARG 1041Cb 0.00 -5.58 0.00 0.00 -1.02 0.00 0.00 32.46 25.86 1gkg n ARG 1041CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1gkg n GLU 1042N -2.18 0.00 0.00 5.56 1.02 -1.26 -4.82 120.64 118.96 1gkg n GLU 1042Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1gkg n GLU 1042Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 1gkg n GLU 1042CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1gkg n ASN 1043N -3.06 0.00 -3.81 1.62 5.03 -1.26 -4.76 115.26 109.02 1gkg n ASN 1043Ca 0.00 0.00 -0.25 0.00 0.87 0.00 0.00 54.58 55.20 1gkg n ASN 1043Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 38.78 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 -1.96 0.09 3.10 3.72 -1.26 -4.68 117.46 116.46 1gkg n PHE 1044Ca 0.00 0.84 -0.13 0.00 -0.05 0.00 0.00 57.45 58.11 1gkg n PHE 1044Cb 0.00 -4.15 -0.08 0.00 -0.94 0.00 0.00 39.48 34.31 1gkg n PHE 1044CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1gkg h HIS 1045N -1.91 -0.16 0.00 1.38 3.86 -1.86 -1.72 115.15 114.74 1gkg h HIS 1045Ca -0.61 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.60 1gkg h HIS 1045Cb 1.37 0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.89 1gkg h HIS 1045CO 0.50 0.01 0.00 0.98 0.86 0.00 0.00 177.93 180.28 1gkg n TYR 1046N -5.11 0.00 -1.96 2.45 9.36 -1.26 -2.10 117.16 118.55 1gkg n TYR 1046Ca -0.08 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.13 1gkg n TYR 1046Cb 0.15 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.85 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 -0.31 -3.55 0.00 2.98 0.00 -1.26 -5.07 105.19 97.98 1gkg n GLY 1047Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1gkg n GLY 1047CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gkg n SER 1048N 0.39 0.00 -4.89 1.61 3.41 -1.26 -4.99 113.62 107.88 1gkg n SER 1048Ca -0.05 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.31 1gkg n SER 1048Cb 0.08 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.99 1gkg n SER 1048CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gkg s VAL 1049N -0.04 4.98 -0.14 -3.33 0.11 -1.26 -2.37 120.40 118.36 1gkg s VAL 1049Ca 0.00 -0.92 -0.07 0.00 -2.93 0.00 0.00 61.98 58.06 1gkg s VAL 1049Cb 0.00 -3.59 0.05 0.00 -1.53 0.00 0.00 36.38 31.31 1gkg s VAL 1049CO 0.00 -0.16 0.33 0.68 -3.33 0.00 0.00 175.10 172.62 1gkg s VAL 1050N -1.82 -0.03 -0.44 2.04 -7.23 -0.53 -3.44 120.40 108.96 1gkg s VAL 1050Ca 0.33 0.12 -0.22 0.00 -1.81 0.00 0.00 61.98 60.40 1gkg s VAL 1050Cb -0.10 -0.50 0.02 0.00 0.56 0.00 0.00 36.38 36.36 1gkg s VAL 1050CO 0.27 0.05 0.72 -0.89 -0.31 0.00 0.00 175.10 174.93 1gkg s THR 1051N 1.32 4.74 0.06 5.32 2.01 -1.25 -2.14 115.64 125.69 1gkg s THR 1051Ca -0.09 0.32 -0.24 0.00 0.31 0.00 0.00 61.69 61.98 1gkg s THR 1051Cb -0.09 -4.26 -0.06 0.00 0.01 0.00 0.00 72.50 68.10 1gkg s THR 1051CO -0.11 -0.64 0.74 -0.31 -0.69 0.00 0.00 174.62 173.62 1gkg s TYR 1052N 3.06 3.76 0.00 4.92 1.51 0.74 0.72 117.35 132.06 1gkg s TYR 1052Ca 0.27 1.47 0.00 0.00 -1.01 0.00 0.00 57.07 57.79 1gkg s TYR 1052Cb -0.13 -2.78 0.00 0.00 -0.11 0.00 0.00 41.96 38.94 1gkg s TYR 1052CO 0.21 0.34 0.00 0.54 -1.11 0.00 0.00 175.55 175.52 1gkg n ARG 1053N 2.54 0.00 -3.64 -0.62 1.74 -1.26 -4.36 116.66 111.06 1gkg n ARG 1053Ca -0.04 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.96 1gkg n ARG 1053Cb 0.50 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.87 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 0.88 4.84 -0.03 0.00 0.01 -0.57 -4.81 114.94 115.26 1gkg s ASN 1055Ca -0.04 0.38 -0.02 0.00 -0.71 0.00 0.00 52.86 52.48 1gkg s ASN 1055Cb -0.05 -2.53 -0.07 0.00 0.41 0.00 0.00 41.25 39.01 1gkg s ASN 1055CO -0.10 -2.75 2.53 0.00 -1.51 0.00 0.00 177.10 175.27 1gkg n LEU 1056N 14.56 5.40 0.00 0.60 -0.00 -1.18 -4.52 117.00 131.86 1gkg n LEU 1056Ca 0.31 -2.74 0.00 0.00 -0.00 0.00 0.00 56.01 53.58 1gkg n LEU 1056Cb 0.51 -1.22 0.00 0.00 -0.00 0.00 0.00 43.42 42.71 1gkg n LEU 1056CO 0.68 1.25 0.00 0.61 -0.00 0.00 0.00 177.39 179.93 1gkg n GLY 1057N 1.73 1.62 3.06 1.47 0.00 -1.24 -0.98 105.19 110.85 1gkg n GLY 1057Ca 0.16 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1gkg n GLY 1057CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gkg s SER 1058N 0.00 -1.00 0.00 1.61 0.01 -1.26 -4.93 113.70 108.12 1gkg s SER 1058Ca 0.00 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1gkg s SER 1058Cb 0.00 1.40 0.00 0.00 0.21 0.00 0.00 66.02 67.63 1gkg s SER 1058CO 0.00 -0.14 0.00 0.54 0.41 0.00 0.00 173.24 174.05 1gkg n ARG 1059N 4.51 0.00 0.00 12.44 5.12 -1.26 -3.29 116.66 134.17 1gkg n ARG 1059Ca 0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 1gkg n ARG 1059Cb 0.58 -0.14 0.00 0.00 -1.16 0.00 0.00 32.46 31.74 1gkg n ARG 1059CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1gkg n GLY 1060N 0.00 0.00 1.34 -0.13 0.00 -1.26 -4.93 105.19 100.22 1gkg n GLY 1060Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 1.27 -3.32 1.61 0.63 -0.16 -4.89 116.66 111.81 1gkg n ARG 1061Ca 0.00 -0.61 -0.22 0.00 -0.92 0.00 0.00 57.85 56.10 1gkg n ARG 1061Cb 0.00 -1.24 0.02 0.00 0.45 0.00 0.00 32.46 31.69 1gkg n ARG 1061CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1gkg n LYS 1062N 0.38 -1.46 -3.31 -0.14 4.81 -1.20 -4.78 118.16 112.46 1gkg n LYS 1062Ca 0.12 1.31 -0.14 0.00 -0.87 0.00 0.00 58.31 58.73 1gkg n LYS 1062Cb 0.69 -2.08 -0.06 0.00 0.02 0.00 0.00 35.03 33.59 1gkg n LYS 1062CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1gkg s VAL 1063N -1.39 -0.43 -0.13 3.15 1.01 -1.22 -4.88 120.40 116.51 1gkg s VAL 1063Ca 0.22 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 1gkg s VAL 1063Cb -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.79 1gkg s VAL 1063CO 0.56 -0.51 0.00 0.49 0.00 0.00 0.00 175.10 175.65 1gkg n PHE 1064N 4.11 -1.78 -3.32 5.22 3.72 -1.26 -3.10 117.46 121.05 1gkg n PHE 1064Ca 0.13 0.80 -0.38 0.00 -0.05 0.00 0.00 57.45 57.94 1gkg n PHE 1064Cb 0.47 -2.62 -0.06 0.00 -0.94 0.00 0.00 39.48 36.34 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 -0.73 4.20 0.70 -1.08 2.02 -1.26 -4.27 118.70 118.28 1gkg s GLU 1065Ca -0.00 0.59 -0.14 0.00 0.02 0.00 0.00 54.97 55.44 1gkg s GLU 1065Cb 0.00 -3.31 0.02 0.00 0.10 0.00 0.00 34.13 30.94 1gkg s GLU 1065CO 0.35 0.46 1.12 -1.17 0.02 0.00 0.00 175.26 176.04 1gkg s LEU 1066N -0.44 3.29 -0.04 1.80 2.96 -1.26 -0.40 118.68 124.59 1gkg s LEU 1066Ca 0.28 2.03 -0.03 0.00 -0.22 0.00 0.00 54.13 56.18 1gkg s LEU 1066Cb -0.17 -4.55 0.01 0.00 0.50 0.00 0.00 46.19 41.97 1gkg s LEU 1066CO 0.15 -1.85 0.09 -0.69 -1.32 0.00 0.00 176.35 172.73 1gkg s VAL 1067N -2.40 -0.00 0.00 1.68 1.01 0.32 -4.83 120.40 116.18 1gkg s VAL 1067Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1gkg s VAL 1067Cb -0.21 -0.14 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1gkg s VAL 1067CO 0.45 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1gkg n GLY 1068N 3.05 -1.48 3.61 4.51 0.00 -1.26 -2.40 105.19 111.22 1gkg n GLY 1068Ca -0.13 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 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 3.34 -0.16 1.61 -1.05 -1.26 -4.87 118.70 116.31 1gkg s GLU 1069Ca 0.00 1.80 0.06 0.00 -0.15 0.00 0.00 54.97 56.68 1gkg s GLU 1069Cb 0.00 -4.26 0.42 0.00 -0.44 0.00 0.00 34.13 29.85 1gkg s GLU 1069CO 0.00 -1.85 1.28 -0.35 0.95 0.00 0.00 175.26 175.28 1gkg n PRO 1070N 8.44 2.68 -3.63 -4.83 -0.04 -1.26 -3.93 135.00 132.44 1gkg n PRO 1070Ca 0.25 -1.69 -0.15 0.00 -0.04 0.00 0.00 63.50 61.88 1gkg n PRO 1070Cb 0.45 -1.83 -0.07 0.00 -0.04 0.00 0.00 33.50 32.01 1gkg n PRO 1070CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1gkg s SER 1071N -0.37 -0.62 0.25 3.54 1.04 -1.26 -0.18 113.70 116.09 1gkg s SER 1071Ca 0.30 1.01 -0.08 0.00 0.48 0.00 0.00 55.95 57.66 1gkg s SER 1071Cb 0.24 0.99 -0.01 0.00 0.10 0.00 0.00 66.02 67.33 1gkg s SER 1071CO 0.08 -0.35 0.38 0.27 0.98 0.00 0.00 173.24 174.60 1gkg s ILE 1072N -0.25 0.00 -0.17 -1.02 -4.36 -0.91 -4.93 121.20 109.56 1gkg s ILE 1072Ca -0.04 -1.59 -0.28 0.00 -0.26 0.00 0.00 60.65 58.47 1gkg s ILE 1072Cb -0.03 -2.34 0.08 0.00 1.25 0.00 0.00 42.46 41.42 1gkg s ILE 1072CO 0.04 0.00 0.76 -0.72 0.24 0.00 0.00 174.94 175.26 1gkg s TYR 1073N -3.93 -0.66 0.46 1.37 -0.85 -1.26 -1.45 117.35 111.03 1gkg s TYR 1073Ca 0.28 1.38 -0.24 0.00 -0.52 0.00 0.00 57.07 57.97 1gkg s TYR 1073Cb 0.01 0.36 -0.07 0.00 0.38 0.00 0.00 41.96 42.64 1gkg s TYR 1073CO 0.11 -0.46 1.26 0.00 -1.52 0.00 0.00 175.55 174.95 1gkg n THR 1075N -0.39 0.00 -3.64 0.00 5.66 -1.26 -4.23 114.28 110.42 1gkg n THR 1075Ca 0.07 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.99 1gkg n THR 1075Cb 0.46 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.17 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 1.22 -0.86 0.00 1.09 0.15 -1.26 -4.59 113.70 109.45 1gkg s SER 1076Ca 0.00 1.41 0.00 0.00 0.70 0.00 0.00 55.95 58.06 1gkg s SER 1076Cb 0.00 1.37 0.00 0.00 -1.71 0.00 0.00 66.02 65.68 1gkg s SER 1076CO 0.00 -0.23 0.00 -0.46 1.20 0.00 0.00 173.24 173.75 1gkg n ASN 1077N 4.02 0.00 0.00 5.45 2.04 -1.26 -5.05 115.26 120.46 1gkg n ASN 1077Ca -0.19 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.95 1gkg n ASN 1077Cb 0.58 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.83 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 0.00 0.00 -2.70 0.53 2.03 -1.26 -1.69 116.55 113.46 1gkg n ASP 1078Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 1gkg n ASP 1078Cb 0.00 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.49 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 1.86 -1.83 -2.76 1.67 5.75 -1.26 -4.97 116.55 115.00 1gkg n ASP 1079Ca 0.00 -2.50 -0.17 0.00 -0.01 0.00 0.00 54.79 52.12 1gkg n ASP 1079Cb 0.00 1.15 0.06 0.00 -1.03 0.00 0.00 41.12 41.30 1gkg n ASP 1079CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gkg n GLN 1080N -0.41 -5.71 -0.05 0.11 1.13 -0.68 -4.94 117.38 106.82 1gkg n GLN 1080Ca -0.06 0.61 -0.20 0.00 -1.94 0.00 0.00 57.00 55.41 1gkg n GLN 1080Cb 0.79 -4.97 -0.13 0.00 0.11 0.00 0.00 30.24 26.04 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1gkg n VAL 1081N -4.21 1.67 -1.47 5.09 0.31 -1.25 -4.82 118.33 113.64 1gkg n VAL 1081Ca -0.02 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 1gkg n VAL 1081Cb 0.55 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 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 2.07 0.61 3.74 2.92 0.00 -1.26 -4.50 105.19 108.77 1gkg n GLY 1082Ca -0.38 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.46 4.56 0.47 -0.61 -4.36 -1.26 -4.07 121.20 113.47 1gkg s ILE 1083Ca 0.00 1.89 -0.22 0.00 -0.26 0.00 0.00 60.65 62.06 1gkg s ILE 1083Cb 0.00 -4.24 -0.07 0.00 1.25 0.00 0.00 42.46 39.40 1gkg s ILE 1083CO 0.00 0.35 1.14 0.26 0.24 0.00 0.00 174.94 176.93 1gkg s TRP 1084N -0.13 2.89 0.43 1.37 0.52 -1.26 -4.07 118.94 118.68 1gkg s TRP 1084Ca 0.43 1.55 0.30 0.00 0.02 0.00 0.00 56.10 58.40 1gkg s TRP 1084Cb -0.22 -3.32 1.46 0.00 -1.15 0.00 0.00 33.47 30.24 1gkg s TRP 1084CO 0.27 -1.38 1.58 1.03 0.02 0.00 0.00 176.95 178.48 1gkg h SER 1085N 1.90 0.23 -4.31 2.95 0.87 -1.88 -3.42 113.55 109.89 1gkg h SER 1085Ca -0.49 0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.29 1gkg h SER 1085Cb 1.25 0.18 -0.22 0.00 -0.44 0.00 0.00 62.40 63.16 1gkg h SER 1085CO 0.60 -0.28 0.47 -0.83 -0.53 0.00 0.00 176.83 176.26 1gkg s GLY 1086N -4.29 -0.33 0.81 5.77 0.00 -1.26 -5.08 107.32 102.94 1gkg s GLY 1086Ca -0.08 1.87 -0.12 0.00 0.00 0.00 0.00 44.72 46.40 1gkg s GLY 1086CO 0.82 1.01 1.16 2.56 0.00 0.00 0.00 173.10 178.65 1gkg s PRO 1087N -1.13 1.71 0.49 2.90 0.04 -1.26 -4.89 135.00 132.85 1gkg s PRO 1087Ca -0.04 1.57 -0.23 0.00 0.04 0.00 0.00 61.00 62.34 1gkg s PRO 1087Cb -0.00 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.67 1gkg s PRO 1087CO 0.03 -2.12 1.34 0.00 0.04 0.00 0.00 177.00 176.29 1gkg s ALA 1088N -2.42 3.01 0.47 8.56 0.00 -1.26 -4.97 121.76 125.14 1gkg s ALA 1088Ca 0.69 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1gkg s ALA 1088Cb -0.24 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1gkg s ALA 1088CO 0.52 -1.15 0.00 -0.35 0.00 0.00 0.00 175.76 174.78 1gkg n PRO 1089N -0.57 2.93 -3.71 0.00 -0.04 -1.25 -5.05 135.00 127.31 1gkg n PRO 1089Ca 0.08 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1gkg n PRO 1089Cb 0.44 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.80 1gkg n PRO 1089CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1gkg s GLN 1090N 0.00 0.49 -0.16 0.54 -2.07 -1.01 -5.00 119.66 112.46 1gkg s GLN 1090Ca 0.00 0.70 -0.11 0.00 -1.82 0.00 0.00 55.36 54.13 1gkg s GLN 1090Cb 0.00 0.16 -0.05 0.00 -1.09 0.00 0.00 33.01 32.03 1gkg s GLN 1090CO 0.00 -0.10 0.20 0.00 -1.32 0.00 0.00 175.29 174.07