#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 -2.44 -2.69 -1.84 0.00 -1.26 -5.05 120.51 107.23 1gkg n ALA 958 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 53.44 53.11 1gkg n ALA 958 Cb 0.00 -0.89 0.10 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.40 0.57 -1.06 0.00 2.13 -1.26 -5.04 120.64 115.59 1gkg n GLU 959 Ca -0.22 -1.27 -0.26 0.00 0.66 0.00 0.00 57.16 56.06 1gkg n GLU 959 Cb 0.60 -0.50 -0.07 0.00 0.27 0.00 0.00 31.44 31.74 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 0.32 6.42 -1.00 4.31 0.00 -1.26 -4.79 120.51 124.50 1gkg n ALA 960 Ca -0.02 -2.58 0.00 0.00 0.00 0.00 0.00 53.44 50.84 1gkg n ALA 960 Cb 0.73 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 17.25 1gkg n ALA 960 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1gkg n LYS 961 N 3.33 0.00 -0.51 0.00 4.76 -1.26 -5.06 118.16 119.42 1gkg n LYS 961 Ca 0.58 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 56.02 1gkg n LYS 961 Cb 0.42 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 1gkg n LYS 961 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1gkg n SER 962 N 0.00 -3.46 -1.37 4.39 2.88 -1.26 -4.60 113.62 110.20 1gkg n SER 962 Ca 0.00 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1gkg n SER 962 Cb 0.00 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 1gkg n SER 962 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gkg n LYS 964 N 1.24 -4.94 -1.62 0.00 3.00 -1.26 -4.55 118.16 110.02 1gkg n LYS 964 Ca 0.00 3.61 -0.43 0.00 -0.00 0.00 0.00 58.31 61.50 1gkg n LYS 964 Cb 0.50 -4.02 -0.03 0.00 0.00 0.00 0.00 35.03 31.48 1gkg n LYS 964 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1gkg n THR 965 N -0.10 0.52 -1.84 3.15 -1.04 -1.26 -4.90 114.28 108.82 1gkg n THR 965 Ca 0.00 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.05 61.27 1gkg n THR 965 Cb 0.00 -2.44 -0.03 0.00 -1.82 0.00 0.00 70.33 66.04 1gkg n THR 965 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1gkg s PRO 966 N 5.55 4.02 0.11 -2.82 0.02 -1.26 -4.96 135.00 135.65 1gkg s PRO 966 Ca 0.96 2.29 -0.30 0.00 0.02 0.00 0.00 61.00 63.97 1gkg s PRO 966 Cb -0.39 -4.10 -0.06 0.00 0.02 0.00 0.00 34.50 29.96 1gkg s PRO 966 CO 0.39 -1.06 1.16 -1.25 -0.33 0.00 0.00 177.00 175.91 1gkg s PRO 967 N 4.51 4.49 -0.28 5.54 0.04 -1.26 -4.87 135.00 143.16 1gkg s PRO 967 Ca 0.82 1.76 -0.31 0.00 0.04 0.00 0.00 61.00 63.30 1gkg s PRO 967 Cb -0.36 -3.32 -0.08 0.00 0.04 0.00 0.00 34.50 30.78 1gkg s PRO 967 CO 0.35 -0.13 2.21 -0.25 0.04 0.00 0.00 177.00 179.22 1gkg n ASP 968 N 3.28 2.72 -2.04 6.66 8.00 -1.26 -4.94 116.55 128.96 1gkg n ASP 968 Ca 0.06 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1gkg n ASP 968 Cb 0.46 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 1gkg n ASP 968 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1gkg n PRO 969 N 8.50 3.31 -1.53 -0.24 -0.02 -1.26 -4.69 135.00 139.07 1gkg n PRO 969 Ca 0.35 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.59 1gkg n PRO 969 Cb 0.34 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.68 1gkg n PRO 969 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1gkg n VAL 970 N 0.00 -0.01 -1.54 -1.45 3.14 -1.26 -1.56 118.33 115.65 1gkg n VAL 970 Ca 0.00 -0.46 -0.10 0.00 -2.96 0.00 0.00 64.34 60.82 1gkg n VAL 970 Cb 0.00 -1.09 -0.03 0.00 -1.06 0.00 0.00 33.84 31.65 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 11.92 -2.73 -4.88 6.55 3.02 -1.26 -4.02 115.26 123.87 1gkg n ASN 971 Ca 0.57 0.25 -0.30 0.00 -0.03 0.00 0.00 54.58 55.07 1gkg n ASN 971 Cb 0.27 -2.60 0.00 0.00 -0.61 0.00 0.00 39.78 36.84 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 -1.87 1.64 -0.28 7.41 0.00 -0.60 -0.79 107.32 112.83 1gkg s GLY 972 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.47 1gkg s GLY 972 CO 0.00 -0.00 0.54 -0.29 0.00 0.00 0.00 173.10 173.34 1gkg s MET 973 N -4.86 0.50 0.20 2.90 0.00 -1.26 -4.22 119.30 112.56 1gkg s MET 973 Ca 0.52 0.90 -0.16 0.00 0.00 0.00 0.00 55.69 56.95 1gkg s MET 973 Cb -0.11 0.29 -0.08 0.00 0.00 0.00 0.00 34.83 34.93 1gkg s MET 973 CO 0.48 -0.60 0.64 0.54 0.00 0.00 0.00 175.02 176.08 1gkg s VAL 974 N 2.77 4.72 -0.54 10.11 0.11 -1.26 -1.81 120.40 134.51 1gkg s VAL 974 Ca 0.17 1.01 -0.09 0.00 -2.93 0.00 0.00 61.98 60.14 1gkg s VAL 974 Cb -0.15 -3.77 0.14 0.00 -1.53 0.00 0.00 36.38 31.07 1gkg s VAL 974 CO -0.19 0.18 0.42 -1.00 -3.33 0.00 0.00 175.10 171.17 1gkg s HIS 975 N -1.55 3.46 -0.65 1.54 3.76 0.13 -4.94 115.29 117.04 1gkg s HIS 975 Ca 0.42 -1.99 -0.26 0.00 -0.15 0.00 0.00 55.06 53.08 1gkg s HIS 975 Cb -0.15 -3.51 -0.06 0.00 1.11 0.00 0.00 32.58 29.97 1gkg s HIS 975 CO 0.20 -0.97 2.13 0.08 -0.85 0.00 0.00 174.74 175.33 1gkg s VAL 976 N 1.02 3.21 0.00 -0.90 1.01 -1.26 -2.20 120.40 121.27 1gkg s VAL 976 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1gkg s VAL 976 Cb -0.24 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1gkg s VAL 976 CO -0.02 -0.50 0.00 -0.38 0.00 0.00 0.00 175.10 174.20 1gkg n ILE 977 N 7.81 0.00 0.00 2.22 5.41 -1.25 -4.82 119.36 128.73 1gkg n ILE 977 Ca 0.33 0.09 0.00 0.00 1.00 0.00 0.00 62.75 64.17 1gkg n ILE 977 Cb 0.51 -0.33 0.00 0.00 -0.71 0.00 0.00 39.64 39.11 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 -3.52 1.39 -2.24 -1.23 -5.00 114.28 103.68 1gkg n THR 978 Ca 0.00 0.91 -0.16 0.00 -2.27 0.00 0.00 64.05 62.52 1gkg n THR 978 Cb 0.00 -1.77 -0.05 0.00 -2.10 0.00 0.00 70.33 66.40 1gkg n THR 978 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1gkg s ASP 979 N -2.18 -0.61 0.00 3.42 1.11 -1.25 -5.00 116.67 112.16 1gkg s ASP 979 Ca 0.00 0.61 0.22 0.00 0.18 0.00 0.00 52.55 53.55 1gkg s ASP 979 Cb 0.00 0.51 1.08 0.00 1.07 0.00 0.00 42.92 45.58 1gkg s ASP 979 CO 0.00 -0.61 1.72 2.30 1.18 0.00 0.00 175.17 179.76 1gkg n ILE 980 N 0.76 0.07 -2.33 0.77 -5.35 -1.26 -2.89 119.36 109.13 1gkg n ILE 980 Ca -0.18 -0.14 -0.31 0.00 -0.27 0.00 0.00 62.75 61.86 1gkg n ILE 980 Cb 0.58 -0.02 -0.01 0.00 -1.74 0.00 0.00 39.64 38.44 1gkg n ILE 980 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1gkg s GLN 981 N -1.93 3.75 0.57 6.28 -0.21 -1.26 -1.83 119.66 125.03 1gkg s GLN 981 Ca 0.33 0.70 -0.18 0.00 0.02 0.00 0.00 55.36 56.23 1gkg s GLN 981 Cb 0.16 -2.19 -0.12 0.00 1.00 0.00 0.00 33.01 31.86 1gkg s GLN 981 CO 0.26 -0.32 0.14 1.55 -2.12 0.00 0.00 175.29 174.80 1gkg n VAL 982 N -2.01 1.00 0.00 1.09 3.14 -1.26 -1.82 118.33 118.47 1gkg n VAL 982 Ca 0.05 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 1gkg n VAL 982 Cb 0.54 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 33.00 1gkg n VAL 982 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gkg n GLY 983 N 2.21 1.30 0.04 7.55 0.00 0.14 -4.94 105.19 111.49 1gkg n GLY 983 Ca 0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.07 1gkg n GLY 983 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gkg n SER 984 N 2.37 -0.59 -3.99 1.61 7.64 -0.75 -4.78 113.62 115.12 1gkg n SER 984 Ca 0.00 -0.71 -0.09 0.00 1.01 0.00 0.00 58.87 59.08 1gkg n SER 984 Cb 0.00 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.14 1gkg n SER 984 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1gkg s ARG 985 N -3.03 1.51 -0.14 1.43 0.52 -1.14 -2.29 118.95 115.82 1gkg s ARG 985 Ca 0.01 -1.24 -0.12 0.00 -0.52 0.00 0.00 55.73 53.86 1gkg s ARG 985 Cb -0.00 0.46 0.04 0.00 0.52 0.00 0.00 34.95 35.97 1gkg s ARG 985 CO 0.01 -0.62 0.36 0.96 0.02 0.00 0.00 175.30 176.02 1gkg s ILE 986 N -4.01 -0.00 -0.22 1.52 -4.36 -0.75 -3.49 121.20 109.88 1gkg s ILE 986 Ca 0.22 0.01 -0.06 0.00 -0.26 0.00 0.00 60.65 60.56 1gkg s ILE 986 Cb -0.00 -0.51 -0.03 0.00 1.25 0.00 0.00 42.46 43.17 1gkg s ILE 986 CO 0.08 0.00 0.03 0.42 0.24 0.00 0.00 174.94 175.72 1gkg s THR 987 N 0.30 4.13 0.56 8.37 -4.23 -0.94 -0.71 115.64 123.12 1gkg s THR 987 Ca -0.01 -0.24 -0.08 0.00 -1.18 0.00 0.00 61.69 60.17 1gkg s THR 987 Cb -0.03 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.87 1gkg s THR 987 CO -0.01 0.39 0.92 -0.31 -0.54 0.00 0.00 174.62 175.08 1gkg s TYR 988 N 1.26 3.59 0.00 3.99 1.51 0.21 0.18 117.35 128.09 1gkg s TYR 988 Ca 0.04 1.07 0.00 0.00 -1.01 0.00 0.00 57.07 57.17 1gkg s TYR 988 Cb -0.15 -2.54 0.00 0.00 -0.11 0.00 0.00 41.96 39.17 1gkg s TYR 988 CO 0.02 -0.51 0.00 0.43 -1.11 0.00 0.00 175.55 174.38 1gkg n SER 989 N -2.54 0.00 0.00 2.29 7.64 -0.75 -4.42 113.62 115.85 1gkg n SER 989 Ca 0.04 -0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.55 1gkg n SER 989 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1gkg n SER 989 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gkg n THR 991 N 0.00 0.00 0.00 0.00 -2.24 0.03 -4.09 114.28 107.98 1gkg n THR 991 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1gkg n THR 991 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.00 -0.43 4.28 5.66 -1.26 -4.48 114.28 118.05 1gkg n THR 992 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 1gkg n THR 992 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 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 0.60 1.94 3.84 1.09 0.00 -1.26 -4.86 105.19 106.54 1gkg n GLY 993 Ca 0.00 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 1.12 3.71 -0.30 1.61 4.02 -1.26 -4.62 115.29 119.56 1gkg s HIS 994 Ca 0.16 0.94 -0.27 0.00 1.02 0.00 0.00 55.06 56.91 1gkg s HIS 994 Cb 0.08 -2.26 0.01 0.00 -1.02 0.00 0.00 32.58 29.38 1gkg s HIS 994 CO 0.00 0.64 0.98 0.50 1.02 0.00 0.00 174.74 177.88 1gkg s ARG 995 N -1.01 4.07 0.11 1.40 6.06 -0.48 -4.86 118.95 124.24 1gkg s ARG 995 Ca 0.23 0.97 -0.30 0.00 -2.50 0.00 0.00 55.73 54.13 1gkg s ARG 995 Cb -0.16 -3.72 -0.06 0.00 0.06 0.00 0.00 34.95 31.07 1gkg s ARG 995 CO 0.12 -0.79 1.10 -1.17 -2.50 0.00 0.00 175.30 172.06 1gkg s LEU 996 N 3.37 4.44 0.17 -0.88 0.20 -1.26 0.21 118.68 124.93 1gkg s LEU 996 Ca 0.41 1.98 0.05 0.00 0.69 0.00 0.00 54.13 57.26 1gkg s LEU 996 Cb -0.13 -3.59 -0.04 0.00 -0.43 0.00 0.00 46.19 42.00 1gkg s LEU 996 CO 0.13 -0.28 0.15 -0.63 -0.29 0.00 0.00 176.35 175.43 1gkg s ILE 997 N 0.32 4.56 0.00 6.68 1.09 0.47 -4.75 121.20 129.56 1gkg s ILE 997 Ca 0.52 -1.06 0.00 0.00 -1.10 0.00 0.00 60.65 59.02 1gkg s ILE 997 Cb -0.28 -3.34 0.00 0.00 -1.06 0.00 0.00 42.46 37.79 1gkg s ILE 997 CO 0.32 -0.12 0.00 0.61 -0.10 0.00 0.00 174.94 175.65 1gkg n GLY 998 N -0.39 2.28 3.64 6.18 0.00 -1.26 -1.20 105.19 114.43 1gkg n GLY 998 Ca -0.08 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1gkg n GLY 998 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1gkg s HIS 999 N 0.00 -0.60 -0.28 1.61 -3.43 -1.26 -5.01 115.29 106.32 1gkg s HIS 999 Ca 0.00 1.43 0.12 0.00 -0.80 0.00 0.00 55.06 55.81 1gkg s HIS 999 Cb 0.00 0.34 0.79 0.00 -1.43 0.00 0.00 32.58 32.29 1gkg s HIS 999 CO 0.00 -0.29 1.79 0.43 -2.00 0.00 0.00 174.74 174.67 1gkg n SER 1000N 2.51 5.35 -3.55 7.38 7.64 -1.26 -4.69 113.62 127.00 1gkg n SER 1000Ca -0.13 -3.08 -0.15 0.00 1.01 0.00 0.00 58.87 56.51 1gkg n SER 1000Cb 0.56 -0.72 -0.06 0.00 -1.01 0.00 0.00 64.21 62.98 1gkg n SER 1000CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1gkg s SER 1001N -0.90 -0.60 -0.20 6.43 1.04 -1.26 0.64 113.70 118.85 1gkg s SER 1001Ca 0.55 0.76 -0.14 0.00 0.48 0.00 0.00 55.95 57.60 1gkg s SER 1001Cb 0.43 0.63 0.06 0.00 0.10 0.00 0.00 66.02 67.24 1gkg s SER 1001CO 0.15 -0.48 0.51 0.00 0.98 0.00 0.00 173.24 174.40 1gkg s ALA 1002N -0.89 -1.32 -0.20 5.32 0.00 0.11 -4.86 121.76 119.92 1gkg s ALA 1002Ca -0.07 1.68 -0.09 0.00 0.00 0.00 0.00 51.96 53.48 1gkg s ALA 1002Cb -0.01 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 1gkg s ALA 1002CO 0.06 -0.28 0.11 -2.00 0.00 0.00 0.00 175.76 173.65 1gkg s GLU 1003N 0.95 4.07 -0.09 0.00 2.12 -1.26 -1.81 118.70 122.68 1gkg s GLU 1003Ca -0.05 -0.28 -0.30 0.00 0.36 0.00 0.00 54.97 54.70 1gkg s GLU 1003Cb -0.06 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 1gkg s GLU 1003CO -0.08 0.23 1.03 0.00 -0.54 0.00 0.00 175.26 175.90 1gkg s ILE 1005N 1.97 0.33 -0.14 0.00 -0.00 -1.02 0.26 121.20 122.61 1gkg s ILE 1005Ca 0.50 -1.25 -0.28 0.00 -0.00 0.00 0.00 60.65 59.61 1gkg s ILE 1005Cb -0.19 -0.77 -0.01 0.00 -0.00 0.00 0.00 42.46 41.48 1gkg s ILE 1005CO 0.19 -0.60 0.95 -0.22 -0.00 0.00 0.00 174.94 175.26 1gkg s LEU 1006N -1.96 4.20 0.00 0.37 1.98 -1.26 -0.88 118.68 121.13 1gkg s LEU 1006Ca -0.06 1.39 0.00 0.00 -2.89 0.00 0.00 54.13 52.56 1gkg s LEU 1006Cb -0.05 -3.44 0.00 0.00 0.66 0.00 0.00 46.19 43.36 1gkg s LEU 1006CO -0.03 -0.45 0.00 -1.54 -1.89 0.00 0.00 176.35 172.44 1gkg n SER 1007N 5.23 0.00 0.20 3.68 3.41 -0.16 -4.94 113.62 121.04 1gkg n SER 1007Ca 0.08 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.55 1gkg n SER 1007Cb 0.48 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.35 1gkg n SER 1007CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1gkg h GLY 1008N 0.00 -0.52 -1.10 5.00 0.00 -2.01 -3.41 103.07 101.02 1gkg h GLY 1008Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 1gkg h GLY 1008CO 0.00 -0.19 -0.20 0.70 0.00 0.00 0.00 176.54 176.85 1gkg n ASN 1009N -5.20 -0.03 -3.72 0.19 4.13 -1.26 -5.12 115.26 104.25 1gkg n ASN 1009Ca -0.10 -1.39 -0.14 0.00 1.68 0.00 0.00 54.58 54.63 1gkg n ASN 1009Cb 0.27 -0.05 -0.09 0.00 -1.54 0.00 0.00 39.78 38.37 1gkg n ASN 1009CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1gkg s THR 1010N 0.00 0.04 0.19 3.41 2.01 -1.26 -5.15 115.64 114.88 1gkg s THR 1010Ca 0.01 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 1gkg s THR 1010Cb 0.01 -0.65 -0.08 0.00 0.01 0.00 0.00 72.50 71.79 1gkg s THR 1010CO -0.00 -0.16 1.10 0.00 -0.69 0.00 0.00 174.62 174.87 1gkg s ALA 1011N -0.92 3.38 -0.09 7.40 0.00 -1.26 -0.99 121.76 129.28 1gkg s ALA 1011Ca -0.10 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 52.57 1gkg s ALA 1011Cb -0.04 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.76 1gkg s ALA 1011CO 0.04 -0.20 0.32 -1.01 0.00 0.00 0.00 175.76 174.91 1gkg s HIS 1012N -0.37 -0.31 0.22 0.00 3.76 -0.06 -4.06 115.29 114.48 1gkg s HIS 1012Ca 0.49 0.70 -0.30 0.00 -0.15 0.00 0.00 55.06 55.80 1gkg s HIS 1012Cb -0.30 0.11 -0.09 0.00 1.11 0.00 0.00 32.58 33.42 1gkg s HIS 1012CO 0.36 -0.23 1.22 -1.58 -0.85 0.00 0.00 174.74 173.65 1gkg s TRP 1013N -0.25 3.37 0.61 1.40 0.52 -1.26 -2.44 118.94 120.89 1gkg s TRP 1013Ca -0.04 1.42 0.29 0.00 0.02 0.00 0.00 56.10 57.79 1gkg s TRP 1013Cb -0.03 -3.47 1.49 0.00 -1.15 0.00 0.00 33.47 30.31 1gkg s TRP 1013CO 0.01 -1.32 1.89 0.66 0.02 0.00 0.00 176.95 178.21 1gkg h SER 1014N 4.85 0.00 -3.49 2.95 4.64 -1.83 -3.39 113.55 117.28 1gkg h SER 1014Ca -0.45 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.42 1gkg h SER 1014Cb 1.21 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.97 1gkg h SER 1014CO 0.73 0.00 -0.79 0.42 -0.87 0.00 0.00 176.83 176.32 1gkg s THR 1015N -4.49 0.75 0.90 2.95 -4.23 -1.26 -5.08 115.64 105.18 1gkg s THR 1015Ca -0.04 -0.26 -0.12 0.00 -1.18 0.00 0.00 61.69 60.09 1gkg s THR 1015Cb 0.14 -0.72 0.10 0.00 1.34 0.00 0.00 72.50 73.36 1gkg s THR 1015CO 0.48 0.27 0.97 2.29 -0.54 0.00 0.00 174.62 178.09 1gkg n LYS 1016N 3.87 -0.26 -1.60 3.99 0.00 -1.26 -4.80 118.16 118.10 1gkg n LYS 1016Ca -0.24 -0.01 -0.61 0.00 -0.00 0.00 0.00 58.31 57.45 1gkg n LYS 1016Cb 0.51 -2.25 -0.08 0.00 -0.00 0.00 0.00 35.03 33.21 1gkg n LYS 1016CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1gkg n PRO 1017N -3.36 0.22 0.00 -1.58 -0.02 -1.26 -4.93 135.00 124.08 1gkg n PRO 1017Ca 0.11 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1gkg n PRO 1017Cb 0.52 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 1gkg n PRO 1017CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1gkg n PRO 1018N 2.60 1.56 -4.04 0.52 -0.04 -1.26 -5.02 135.00 129.32 1gkg n PRO 1018Ca 0.23 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.52 1gkg n PRO 1018Cb 0.06 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.46 1gkg n PRO 1018CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1gkg n ILE 1019N -0.24 0.00 -3.19 0.52 5.41 -0.34 -4.86 119.36 116.65 1gkg n ILE 1019Ca 0.00 -2.10 -0.20 0.00 1.00 0.00 0.00 62.75 61.44 1gkg n ILE 1019Cb 0.00 1.12 -0.06 0.00 -0.71 0.00 0.00 39.64 39.99 1gkg n ILE 1019CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1gkg s GLN 1021N 0.21 4.51 0.01 0.00 2.00 0.13 -4.74 119.66 121.79 1gkg s GLN 1021Ca 0.32 1.95 -0.30 0.00 -2.00 0.00 0.00 55.36 55.33 1gkg s GLN 1021Cb 0.04 -3.17 -0.05 0.00 0.80 0.00 0.00 33.01 30.63 1gkg s GLN 1021CO -0.16 0.01 1.31 1.03 -0.50 0.00 0.00 175.29 176.98 1gkg s ARG 1022N -1.20 4.33 -0.23 1.67 3.00 -1.26 -1.38 118.95 123.88 1gkg s ARG 1022Ca 0.48 1.87 -0.29 0.00 0.00 0.00 0.00 55.73 57.79 1gkg s ARG 1022Cb -0.35 -3.49 -0.03 0.00 0.00 0.00 0.00 34.95 31.08 1gkg s ARG 1022CO 0.43 -0.47 1.77 0.42 0.00 0.00 0.00 175.30 177.45 1gkg s ILE 1023N 1.96 3.50 -0.16 1.52 1.01 -1.26 -4.83 121.20 122.94 1gkg s ILE 1023Ca 0.61 0.54 -0.29 0.00 0.00 0.00 0.00 60.65 61.51 1gkg s ILE 1023Cb -0.30 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 1gkg s ILE 1023CO 0.26 -0.27 1.93 -2.16 0.00 0.00 0.00 174.94 174.70 1gkg s PRO 1024N 5.14 3.63 -0.09 2.79 0.04 -0.99 -4.24 135.00 141.29 1gkg s PRO 1024Ca 0.79 2.04 -0.13 0.00 0.04 0.00 0.00 61.00 63.73 1gkg s PRO 1024Cb -0.26 -4.20 -0.05 0.00 0.04 0.00 0.00 34.50 30.03 1gkg s PRO 1024CO 0.32 -1.51 0.31 0.00 0.04 0.00 0.00 177.00 176.16 1gkg n GLY 1026N 2.48 0.06 3.77 0.00 0.00 -1.25 -3.92 105.19 106.33 1gkg n GLY 1026Ca -0.14 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 1gkg n GLY 1026CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gkg s LEU 1027N 0.00 4.36 1.01 0.99 2.01 -1.26 -4.73 118.68 121.06 1gkg s LEU 1027Ca 0.00 2.90 -0.12 0.00 0.01 0.00 0.00 54.13 56.91 1gkg s LEU 1027Cb 0.00 -3.65 0.19 0.00 0.01 0.00 0.00 46.19 42.74 1gkg s LEU 1027CO 0.00 -0.76 1.08 -2.84 1.01 0.00 0.00 176.35 174.84 1gkg s PRO 1028N -1.68 0.36 -0.34 1.29 0.02 -1.26 -4.84 135.00 128.55 1gkg s PRO 1028Ca 0.53 0.65 -0.35 0.00 0.02 0.00 0.00 61.00 61.85 1gkg s PRO 1028Cb -0.44 -1.72 -0.11 0.00 0.02 0.00 0.00 34.50 32.25 1gkg s PRO 1028CO 0.57 -2.81 2.18 -2.30 -0.33 0.00 0.00 177.00 174.30 1gkg n PRO 1029N -4.25 1.08 -2.63 5.54 -0.02 -1.26 -4.90 135.00 128.55 1gkg n PRO 1029Ca 0.05 0.30 -0.39 0.00 -2.02 0.00 0.00 63.50 61.43 1gkg n PRO 1029Cb 0.56 -2.45 -0.05 0.00 -0.02 0.00 0.00 33.50 31.54 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 7.19 3.83 -0.16 3.45 -4.23 -1.26 -4.73 115.64 119.74 1gkg s THR 1030Ca 1.09 1.77 -0.07 0.00 -1.18 0.00 0.00 61.69 63.30 1gkg s THR 1030Cb -0.87 -4.09 0.07 0.00 1.34 0.00 0.00 72.50 68.95 1gkg s THR 1030CO 0.50 0.36 0.35 0.27 -0.54 0.00 0.00 174.62 175.55 1gkg s ILE 1031N -1.26 -0.32 0.27 2.99 -4.36 -1.26 -5.04 121.20 112.22 1gkg s ILE 1031Ca 0.45 0.18 -0.29 0.00 -0.26 0.00 0.00 60.65 60.73 1gkg s ILE 1031Cb -0.27 -0.55 -0.14 0.00 1.25 0.00 0.00 42.46 42.75 1gkg s ILE 1031CO 0.34 0.07 0.98 0.00 0.24 0.00 0.00 174.94 176.58 1gkg n ALA 1032N 4.89 -0.51 0.00 2.27 0.00 -1.26 -0.40 120.51 125.49 1gkg n ALA 1032Ca -0.15 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1gkg n ALA 1032Cb 0.52 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 1.38 0.00 -4.72 0.00 3.02 -1.26 -4.92 115.26 108.76 1gkg n ASN 1033Ca 0.11 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.35 1gkg n ASN 1033Cb 0.31 -0.02 0.13 0.00 -0.61 0.00 0.00 39.78 39.59 1gkg n ASN 1033CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1gkg s GLY 1034N -0.16 1.68 0.00 7.41 0.00 0.46 0.39 107.32 117.10 1gkg s GLY 1034Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.16 1gkg s GLY 1034CO 0.00 0.83 0.00 1.22 0.00 0.00 0.00 173.10 175.15 1gkg n ASP 1035N -3.92 0.00 -3.66 1.64 8.00 -1.26 -4.77 116.55 112.57 1gkg n ASP 1035Ca 0.11 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.46 1gkg n ASP 1035Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.54 1gkg n ASP 1035CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1gkg s PHE 1036N -1.68 -0.59 -0.74 1.24 -0.12 -1.26 -4.47 117.98 110.36 1gkg s PHE 1036Ca 0.00 1.37 0.02 0.00 -0.05 0.00 0.00 56.93 58.27 1gkg s PHE 1036Cb 0.00 0.23 0.34 0.00 -0.63 0.00 0.00 43.02 42.97 1gkg s PHE 1036CO 0.00 -0.35 1.37 -0.89 -0.05 0.00 0.00 175.22 175.30 1gkg n ILE 1037N 2.37 4.08 -2.41 -4.49 5.41 -0.42 -4.93 119.36 118.96 1gkg n ILE 1037Ca -0.15 -5.51 0.00 0.00 1.00 0.00 0.00 62.75 58.08 1gkg n ILE 1037Cb 0.56 -1.42 0.00 0.00 -0.71 0.00 0.00 39.64 38.07 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 -0.24 0.00 -2.73 4.38 7.64 -1.26 -4.55 113.62 116.85 1gkg n SER 1038Ca 0.40 -0.30 -0.35 0.00 1.01 0.00 0.00 58.87 59.62 1gkg n SER 1038Cb 0.36 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.58 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 3.50 0.12 0.44 -1.04 -1.26 -4.69 114.28 111.35 1gkg n THR 1039Ca 0.00 -3.76 -0.14 0.00 -2.04 0.00 0.00 64.05 58.12 1gkg n THR 1039Cb 0.00 -1.35 -0.08 0.00 -1.82 0.00 0.00 70.33 67.08 1gkg n THR 1039CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1gkg h ASN 1040N 2.90 -0.22 0.00 8.00 4.21 -1.95 -3.47 115.58 125.04 1gkg h ASN 1040Ca 0.51 -0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.92 1gkg h ASN 1040Cb 0.30 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1gkg h ASN 1040CO 1.26 -0.03 0.00 0.54 -1.29 0.00 0.00 177.43 177.91 1gkg n ARG 1041N -5.14 0.00 -2.69 0.81 5.12 -1.26 -4.15 116.66 109.35 1gkg n ARG 1041Ca -0.09 0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.75 1gkg n ARG 1041Cb 0.18 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.55 1gkg n ARG 1041CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1gkg n GLU 1042N 14.00 1.16 -2.70 5.56 -0.58 -1.26 -4.95 120.64 131.87 1gkg n GLU 1042Ca 0.00 -2.59 -0.06 0.00 -0.42 0.00 0.00 57.16 54.08 1gkg n GLU 1042Cb 0.00 -0.71 0.10 0.00 -0.57 0.00 0.00 31.44 30.26 1gkg n GLU 1042CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1gkg n ASN 1043N -0.29 -1.81 -4.71 1.62 3.02 -1.26 -5.10 115.26 106.73 1gkg n ASN 1043Ca 0.04 -2.76 -0.42 0.00 -0.03 0.00 0.00 54.58 51.41 1gkg n ASN 1043Cb 0.83 1.52 -0.03 0.00 -0.61 0.00 0.00 39.78 41.49 1gkg n ASN 1043CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1gkg s PHE 1044N 0.18 3.54 -0.19 3.10 0.40 -1.25 -4.96 117.98 118.80 1gkg s PHE 1044Ca 0.22 1.48 -0.16 0.00 -0.60 0.00 0.00 56.93 57.86 1gkg s PHE 1044Cb 0.29 -3.29 -0.07 0.00 0.51 0.00 0.00 43.02 40.46 1gkg s PHE 1044CO -0.13 -0.71 -0.31 0.72 0.70 0.00 0.00 175.22 175.48 1gkg n HIS 1045N 3.92 0.15 0.00 0.36 8.25 -1.26 -2.68 115.22 123.95 1gkg n HIS 1045Ca 0.08 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1gkg n HIS 1045Cb 0.48 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 30.98 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 -4.45 0.00 -3.16 4.41 9.36 -1.26 -2.03 117.16 120.02 1gkg n TYR 1046Ca -0.19 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.07 1gkg n TYR 1046Cb 0.54 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.24 1gkg n TYR 1046CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1gkg s GLY 1047N 0.00 -1.26 0.00 2.98 0.00 -1.26 -4.89 107.32 102.88 1gkg s GLY 1047Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 44.72 45.65 1gkg s GLY 1047CO 0.00 3.70 0.00 -1.14 0.00 0.00 0.00 173.10 175.66 1gkg n SER 1048N 5.22 0.00 -4.89 1.64 3.41 -1.26 -5.02 113.62 112.71 1gkg n SER 1048Ca 0.06 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.42 1gkg n SER 1048Cb 0.55 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.44 5.00 -0.06 -3.33 0.11 -1.26 -2.38 120.40 118.04 1gkg s VAL 1049Ca 0.00 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 1gkg s VAL 1049Cb 0.00 -3.58 0.02 0.00 -1.53 0.00 0.00 36.38 31.29 1gkg s VAL 1049CO 0.00 -0.13 -0.05 0.54 -3.33 0.00 0.00 175.10 172.14 1gkg s VAL 1050N -1.78 0.62 -0.36 2.04 0.11 -0.93 -4.51 120.40 115.58 1gkg s VAL 1050Ca 0.33 -0.13 -0.09 0.00 -2.93 0.00 0.00 61.98 59.17 1gkg s VAL 1050Cb -0.10 -0.66 0.03 0.00 -1.53 0.00 0.00 36.38 34.12 1gkg s VAL 1050CO 0.27 0.26 0.17 -0.89 -3.33 0.00 0.00 175.10 171.57 1gkg s THR 1051N 1.21 4.23 0.47 5.04 2.01 -1.26 -2.14 115.64 125.19 1gkg s THR 1051Ca -0.06 -1.00 -0.22 0.00 0.31 0.00 0.00 61.69 60.72 1gkg s THR 1051Cb -0.14 -3.38 -0.08 0.00 0.01 0.00 0.00 72.50 68.91 1gkg s THR 1051CO -0.02 -0.23 1.11 -0.31 -0.69 0.00 0.00 174.62 174.49 1gkg s TYR 1052N 1.48 2.95 0.00 4.92 1.51 0.22 -1.30 117.35 127.13 1gkg s TYR 1052Ca 0.00 1.57 0.00 0.00 -1.01 0.00 0.00 57.07 57.63 1gkg s TYR 1052Cb -0.19 -3.25 0.00 0.00 -0.11 0.00 0.00 41.96 38.41 1gkg s TYR 1052CO 0.05 -1.20 0.00 2.89 -1.11 0.00 0.00 175.55 176.18 1gkg n ARG 1053N -0.64 2.51 -0.72 -0.62 1.85 -1.26 -4.91 116.66 112.87 1gkg n ARG 1053Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 1gkg n ARG 1053Cb 0.50 -0.21 0.00 0.00 -1.05 0.00 0.00 32.46 31.70 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 -1.64 0.00 -3.68 0.00 5.15 0.16 -4.84 115.26 110.41 1gkg n ASN 1055Ca 0.00 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.87 1gkg n ASN 1055Cb 0.14 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.30 1gkg n ASN 1055CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1gkg s LEU 1056N 0.00 -0.31 -0.07 1.20 1.43 -1.26 -4.81 118.68 114.85 1gkg s LEU 1056Ca 0.00 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 1gkg s LEU 1056Cb 0.00 1.81 0.09 0.00 0.03 0.00 0.00 46.19 48.12 1gkg s LEU 1056CO 0.00 -0.20 1.26 0.61 0.23 0.00 0.00 176.35 178.25 1gkg n GLY 1057N 3.75 2.46 1.00 -3.19 0.00 -1.26 -4.48 105.19 103.47 1gkg n GLY 1057Ca -0.19 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1gkg n GLY 1057CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gkg n SER 1058N 0.38 0.00 0.00 1.61 7.64 -1.26 -5.05 113.62 116.94 1gkg n SER 1058Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1gkg n SER 1058Cb 0.65 0.25 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 1gkg n SER 1058CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1gkg n ARG 1059N -1.96 0.00 0.00 1.43 5.12 -1.26 -5.01 116.66 114.98 1gkg n ARG 1059Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1gkg n ARG 1059Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 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 -0.92 0.07 3.68 -0.13 0.00 -1.26 -4.95 105.19 101.67 1gkg n GLY 1060Ca 0.00 -0.04 -0.48 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.80 2.23 -2.18 1.61 0.63 -1.26 -4.90 116.66 111.98 1gkg n ARG 1061Ca 0.00 0.82 -0.41 0.00 -0.92 0.00 0.00 57.85 57.33 1gkg n ARG 1061Cb 0.00 -2.67 -0.03 0.00 0.45 0.00 0.00 32.46 30.22 1gkg n ARG 1061CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1gkg s LYS 1062N 3.97 4.36 0.00 -0.14 2.20 -1.26 -4.23 119.74 124.65 1gkg s LYS 1062Ca 0.92 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 58.62 1gkg s LYS 1062Cb -0.67 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 1gkg s LYS 1062CO 0.50 -0.31 0.00 1.33 -0.36 0.00 0.00 175.35 176.52 1gkg n VAL 1063N 2.81 0.00 -2.26 4.02 0.24 -1.26 -5.01 118.33 116.87 1gkg n VAL 1063Ca 0.07 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.95 1gkg n VAL 1063Cb 0.42 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.76 1gkg n VAL 1063CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1gkg s PHE 1064N -0.91 3.07 -0.22 6.34 0.40 -1.26 -4.98 117.98 120.43 1gkg s PHE 1064Ca 0.00 0.96 -0.12 0.00 -0.60 0.00 0.00 56.93 57.17 1gkg s PHE 1064Cb 0.00 -3.61 -0.05 0.00 0.51 0.00 0.00 43.02 39.87 1gkg s PHE 1064CO 0.00 -2.15 0.21 -1.21 0.70 0.00 0.00 175.22 172.77 1gkg s GLU 1065N 1.84 4.13 0.40 0.44 2.02 -1.19 -4.88 118.70 121.46 1gkg s GLU 1065Ca 0.63 -0.13 -0.26 0.00 0.02 0.00 0.00 54.97 55.23 1gkg s GLU 1065Cb -0.32 -3.51 -0.08 0.00 0.10 0.00 0.00 34.13 30.32 1gkg s GLU 1065CO 0.27 0.10 1.22 -1.17 0.02 0.00 0.00 175.26 175.70 1gkg s LEU 1066N 0.93 4.21 -0.11 1.80 0.20 -1.26 -1.75 118.68 122.69 1gkg s LEU 1066Ca 0.11 2.46 -0.02 0.00 0.69 0.00 0.00 54.13 57.37 1gkg s LEU 1066Cb -0.13 -3.97 0.04 0.00 -0.43 0.00 0.00 46.19 41.69 1gkg s LEU 1066CO 0.04 -0.73 0.01 -0.69 -0.29 0.00 0.00 176.35 174.69 1gkg s VAL 1067N -1.35 0.43 0.00 1.68 1.01 0.51 -4.94 120.40 117.75 1gkg s VAL 1067Ca 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1gkg s VAL 1067Cb -0.33 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.36 1gkg s VAL 1067CO 0.42 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1gkg n GLY 1068N 5.12 0.42 3.68 4.51 0.00 -1.26 -0.90 105.19 116.75 1gkg n GLY 1068Ca -0.08 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 4.16 0.23 1.61 -1.05 -1.26 -4.89 118.70 117.50 1gkg s GLU 1069Ca 0.00 2.47 0.24 0.00 -0.15 0.00 0.00 54.97 57.53 1gkg s GLU 1069Cb 0.00 -3.82 0.33 0.00 -0.44 0.00 0.00 34.13 30.20 1gkg s GLU 1069CO 0.00 -0.85 1.40 -1.00 0.95 0.00 0.00 175.26 175.76 1gkg h PRO 1070N 9.25 0.00 -2.85 -4.83 0.13 -1.93 -3.35 132.00 128.42 1gkg h PRO 1070Ca -0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 1gkg h PRO 1070Cb 1.21 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.19 1gkg h PRO 1070CO 0.94 0.00 0.04 -1.54 -0.23 0.00 0.00 178.00 177.21 1gkg s SER 1071N -5.06 -0.43 0.00 1.44 1.04 -1.26 -0.61 113.70 108.82 1gkg s SER 1071Ca 0.05 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1gkg s SER 1071Cb 0.10 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1gkg s SER 1071CO 0.71 -0.75 0.00 2.30 0.98 0.00 0.00 173.24 176.47 1gkg n ILE 1072N 0.28 0.00 -3.52 -1.02 -5.35 -0.91 -4.98 119.36 103.86 1gkg n ILE 1072Ca -0.18 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.12 1gkg n ILE 1072Cb 0.61 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.45 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 -2.88 -0.65 0.39 4.28 -0.85 -1.26 -2.19 117.35 114.19 1gkg s TYR 1073Ca 0.00 1.11 -0.27 0.00 -0.52 0.00 0.00 57.07 57.39 1gkg s TYR 1073Cb 0.00 0.41 -0.10 0.00 0.38 0.00 0.00 41.96 42.65 1gkg s TYR 1073CO 0.00 -0.60 1.42 0.00 -1.52 0.00 0.00 175.55 174.84 1gkg n THR 1075N 0.32 0.00 -3.57 0.00 5.66 -1.26 -4.73 114.28 110.70 1gkg n THR 1075Ca 0.02 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.89 1gkg n THR 1075Cb 0.41 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.13 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 1.29 -0.49 0.00 1.09 0.15 -1.15 -4.25 113.70 110.33 1gkg s SER 1076Ca 0.00 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1gkg s SER 1076Cb 0.00 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1gkg s SER 1076CO 0.00 -0.39 0.00 -0.46 1.20 0.00 0.00 173.24 173.59 1gkg n ASN 1077N 1.12 0.00 0.00 5.45 2.04 -1.05 -4.93 115.26 117.90 1gkg n ASN 1077Ca -0.13 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.01 1gkg n ASN 1077Cb 0.57 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.82 1gkg n ASN 1077CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 1gkg n ASP 1078N -0.70 0.00 -0.03 0.53 -0.08 -1.26 -4.98 116.55 110.03 1gkg n ASP 1078Ca 0.00 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.08 1gkg n ASP 1078Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 1gkg n ASP 1078CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1gkg n ASP 1079N 0.00 2.08 0.00 1.67 2.03 -1.26 -4.87 116.55 116.19 1gkg n ASP 1079Ca 0.00 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1gkg n ASP 1079Cb 0.00 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 1gkg n ASP 1079CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gkg n GLN 1080N -3.43 0.00 0.21 -0.67 10.64 -1.26 -4.92 117.38 117.95 1gkg n GLN 1080Ca -0.35 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 54.94 1gkg n GLN 1080Cb 1.04 0.00 0.71 0.00 -0.86 0.00 0.00 30.24 31.12 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 0.00 0.83 0.00 -0.39 2.07 -1.89 -3.41 116.25 113.46 1gkg h VAL 1081Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1gkg h VAL 1081Cb 0.00 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1gkg h VAL 1081CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1gkg n GLY 1082N -1.51 1.78 1.87 2.17 0.00 -1.26 -3.90 105.19 104.33 1gkg n GLY 1082Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1gkg n GLY 1082CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1gkg n ILE 1083N 0.00 -5.78 -2.75 -0.61 5.41 -1.26 -2.54 119.36 111.82 1gkg n ILE 1083Ca 0.00 2.66 -0.40 0.00 1.00 0.00 0.00 62.75 66.01 1gkg n ILE 1083Cb 0.00 -3.48 -0.05 0.00 -0.71 0.00 0.00 39.64 35.39 1gkg n ILE 1083CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 1gkg s TRP 1084N -2.13 3.93 0.07 1.39 0.52 -1.26 -3.94 118.94 117.51 1gkg s TRP 1084Ca 0.00 1.87 -0.30 0.00 0.02 0.00 0.00 56.10 57.69 1gkg s TRP 1084Cb 0.00 -3.00 -0.15 0.00 -1.15 0.00 0.00 33.47 29.18 1gkg s TRP 1084CO 0.00 0.38 1.47 0.66 0.02 0.00 0.00 176.95 179.47 1gkg h SER 1085N 4.63 -1.15 -2.83 2.95 4.64 -1.91 -3.40 113.55 116.48 1gkg h SER 1085Ca -0.44 0.09 -0.55 0.00 -0.47 0.00 0.00 61.79 60.41 1gkg h SER 1085Cb 1.20 0.37 -0.02 0.00 -0.31 0.00 0.00 62.40 63.65 1gkg h SER 1085CO 0.69 -0.57 0.93 -0.83 -0.87 0.00 0.00 176.83 176.17 1gkg s GLY 1086N -1.91 1.70 0.00 -0.77 0.00 -1.26 -4.89 107.32 100.19 1gkg s GLY 1086Ca -0.15 0.74 0.00 0.00 0.00 0.00 0.00 44.72 45.31 1gkg s GLY 1086CO 0.50 2.65 1.93 -1.05 0.00 0.00 0.00 173.10 177.13 1gkg n PRO 1087N 6.32 0.97 -1.67 2.90 -0.02 -1.26 -4.72 135.00 137.51 1gkg n PRO 1087Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1gkg n PRO 1087Cb 0.44 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.90 1gkg n PRO 1087CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gkg n ALA 1088N 1.50 -2.02 -1.00 3.55 0.00 -1.26 -4.98 120.51 116.29 1gkg n ALA 1088Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1gkg n ALA 1088Cb 0.48 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.22 2.77 -3.69 0.00 -0.04 -1.26 -4.96 135.00 127.60 1gkg n PRO 1089Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 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 -0.65 -0.04 0.00 0.00 175.50 174.81 1gkg s GLN 1090N 0.00 0.39 -0.46 0.54 -1.52 -0.07 -4.95 119.66 113.58 1gkg s GLN 1090Ca 0.00 0.85 -0.13 0.00 -1.95 0.00 0.00 55.36 54.13 1gkg s GLN 1090Cb 0.00 0.04 0.09 0.00 -0.22 0.00 0.00 33.01 32.92 1gkg s GLN 1090CO 0.00 -0.18 0.36 0.00 -0.25 0.00 0.00 175.29 175.22