#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 -3.94 0.62 0.00 -1.26 -5.02 120.51 110.90 1gkg n ALA 958 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1gkg n ALA 958 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1gkg n ALA 958 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gkg n GLU 959 N -0.74 -4.74 -3.35 0.00 4.71 -1.26 -0.97 120.64 114.29 1gkg n GLU 959 Ca 0.00 0.54 -0.21 0.00 -0.01 0.00 0.00 57.16 57.48 1gkg n GLU 959 Cb 0.00 -5.25 -0.02 0.00 -1.01 0.00 0.00 31.44 25.16 1gkg n GLU 959 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1gkg n ALA 960 N -4.53 -1.06 -1.81 0.62 0.00 -1.26 -4.90 120.51 107.57 1gkg n ALA 960 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.05 1gkg n ALA 960 Cb 0.56 -2.10 -0.06 0.00 0.00 0.00 0.00 19.45 17.85 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 -5.97 4.26 -0.26 0.00 -0.14 -0.15 -5.04 119.74 112.44 1gkg s LYS 961 Ca 0.37 1.20 -0.13 0.00 -1.36 0.00 0.00 55.97 56.05 1gkg s LYS 961 Cb -0.21 -2.30 0.09 0.00 -1.68 0.00 0.00 37.83 33.73 1gkg s LYS 961 CO 0.46 -0.01 0.61 -1.54 -0.76 0.00 0.00 175.35 174.11 1gkg s SER 962 N -2.03 -0.86 0.29 2.83 1.04 -1.26 -2.88 113.70 110.83 1gkg s SER 962 Ca 0.60 1.38 -0.28 0.00 0.48 0.00 0.00 55.95 58.13 1gkg s SER 962 Cb -0.12 1.46 -0.10 0.00 0.10 0.00 0.00 66.02 67.36 1gkg s SER 962 CO 0.16 -0.23 0.95 0.00 0.98 0.00 0.00 173.24 175.10 1gkg s LYS 964 N -1.72 4.09 0.17 0.00 2.20 -1.26 -4.77 119.74 118.44 1gkg s LYS 964 Ca 0.47 2.34 -0.31 0.00 -0.36 0.00 0.00 55.97 58.10 1gkg s LYS 964 Cb -0.22 -2.90 -0.10 0.00 -1.51 0.00 0.00 37.83 33.10 1gkg s LYS 964 CO 0.27 -0.46 1.54 0.99 -0.36 0.00 0.00 175.35 177.34 1gkg s THR 965 N -1.17 2.68 0.03 3.43 2.01 -1.26 -4.92 115.64 116.44 1gkg s THR 965 Ca 0.54 0.50 -0.31 0.00 0.31 0.00 0.00 61.69 62.73 1gkg s THR 965 Cb -0.42 -3.32 -0.10 0.00 0.01 0.00 0.00 72.50 68.68 1gkg s THR 965 CO 0.55 0.04 1.95 -2.65 -0.69 0.00 0.00 174.62 173.83 1gkg n PRO 966 N 3.81 2.79 -0.03 4.92 -0.02 -1.26 -4.89 135.00 140.31 1gkg n PRO 966 Ca 0.13 1.02 -0.09 0.00 -2.02 0.00 0.00 63.50 62.55 1gkg n PRO 966 Cb 0.39 -2.96 -0.03 0.00 -0.02 0.00 0.00 33.50 30.88 1gkg n PRO 966 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1gkg h PRO 967 N 10.26 -0.03 0.00 0.52 0.11 -2.02 -3.45 132.00 137.40 1gkg h PRO 967 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1gkg h PRO 967 Cb 1.24 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1gkg h PRO 967 CO 0.94 -0.02 0.00 -3.47 -0.21 0.00 0.00 178.00 175.24 1gkg n ASP 968 N -5.21 0.00 -4.55 -2.05 2.03 -1.26 -4.95 116.55 100.56 1gkg n ASP 968 Ca -0.03 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.94 1gkg n ASP 968 Cb 0.13 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 40.63 1gkg n ASP 968 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1gkg n PRO 969 N 0.00 0.22 -1.42 -0.67 -0.02 -0.85 -4.70 135.00 127.56 1gkg n PRO 969 Ca 0.00 0.13 -0.49 0.00 -2.02 0.00 0.00 63.50 61.12 1gkg n PRO 969 Cb 0.00 -2.09 -0.10 0.00 -0.02 0.00 0.00 33.50 31.29 1gkg n PRO 969 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1gkg n VAL 970 N -2.85 0.06 0.00 -1.45 0.31 -1.07 -2.59 118.33 110.74 1gkg n VAL 970 Ca 0.11 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1gkg n VAL 970 Cb 0.50 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 1gkg n VAL 970 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1gkg n ASN 971 N 10.19 0.00 -4.74 4.52 3.02 -1.26 -2.26 115.26 124.72 1gkg n ASN 971 Ca 0.50 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.65 1gkg n ASN 971 Cb 0.15 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.27 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 0.00 3.07 0.00 7.41 0.00 -1.07 -4.10 107.32 112.63 1gkg s GLY 972 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.35 1gkg s GLY 972 CO 0.00 1.30 0.00 1.03 0.00 0.00 0.00 173.10 175.43 1gkg n MET 973 N 1.87 1.83 -3.55 2.90 2.81 0.09 -2.01 117.12 121.06 1gkg n MET 973 Ca -0.01 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.71 1gkg n MET 973 Cb 0.47 0.00 -0.06 0.00 -0.71 0.00 0.00 33.22 32.92 1gkg n MET 973 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1gkg s VAL 974 N 0.22 0.00 -0.26 2.03 0.11 -1.26 -2.50 120.40 118.74 1gkg s VAL 974 Ca 0.00 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.05 1gkg s VAL 974 Cb 0.00 -0.97 0.06 0.00 -1.53 0.00 0.00 36.38 33.94 1gkg s VAL 974 CO 0.00 -0.02 -0.11 -1.00 -3.33 0.00 0.00 175.10 170.65 1gkg s HIS 975 N -1.02 3.25 -0.42 1.54 3.76 0.35 -4.99 115.29 117.76 1gkg s HIS 975 Ca -0.10 -2.33 -0.27 0.00 -0.15 0.00 0.00 55.06 52.21 1gkg s HIS 975 Cb -0.01 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.71 1gkg s HIS 975 CO 0.09 -0.88 2.03 0.08 -0.85 0.00 0.00 174.74 175.20 1gkg s VAL 976 N 1.10 3.26 0.00 -0.90 1.01 -1.26 -2.40 120.40 121.21 1gkg s VAL 976 Ca -0.09 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1gkg s VAL 976 Cb -0.20 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1gkg s VAL 976 CO -0.05 -0.38 0.00 -0.38 0.00 0.00 0.00 175.10 174.29 1gkg n ILE 977 N 7.56 0.00 0.12 2.22 2.08 -1.26 -4.80 119.36 125.28 1gkg n ILE 977 Ca 0.27 0.06 -0.05 0.00 0.56 0.00 0.00 62.75 63.59 1gkg n ILE 977 Cb 0.50 -0.30 -0.02 0.00 -0.75 0.00 0.00 39.64 39.06 1gkg n ILE 977 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1gkg h THR 978 N 0.00 0.00 0.00 1.39 1.35 -1.88 -3.50 112.91 110.26 1gkg h THR 978 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1gkg h THR 978 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1gkg h THR 978 CO 0.00 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.60 1gkg n ASP 979 N -3.33 0.99 -0.24 5.36 2.03 -1.25 -5.04 116.55 115.07 1gkg n ASP 979 Ca -0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1gkg n ASP 979 Cb 0.13 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 1gkg n ASP 979 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1gkg n ILE 980 N 0.00 0.00 -2.32 5.18 -5.35 -1.26 -4.59 119.36 111.02 1gkg n ILE 980 Ca 0.00 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.23 1gkg n ILE 980 Cb 0.00 0.15 0.07 0.00 -1.74 0.00 0.00 39.64 38.13 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 0.00 2.13 0.30 6.28 -0.21 -1.26 -1.32 119.66 125.57 1gkg s GLN 981 Ca 0.00 -0.46 -0.27 0.00 0.02 0.00 0.00 55.36 54.65 1gkg s GLN 981 Cb 0.00 -2.23 -0.14 0.00 1.00 0.00 0.00 33.01 31.63 1gkg s GLN 981 CO 0.00 -1.22 0.84 0.28 -2.12 0.00 0.00 175.29 173.07 1gkg n VAL 982 N -2.84 1.99 0.00 1.09 0.31 -1.14 -1.67 118.33 116.06 1gkg n VAL 982 Ca 0.09 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1gkg n VAL 982 Cb 0.60 -0.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 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 1.46 1.17 3.77 2.92 0.00 -0.39 -4.94 105.19 109.17 1gkg n GLY 983 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 5.40 0.00 1.61 1.04 -0.67 -4.56 113.70 116.51 1gkg s SER 984 Ca 0.00 2.20 0.00 0.00 0.48 0.00 0.00 55.95 58.63 1gkg s SER 984 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1gkg s SER 984 CO 0.00 -1.44 0.00 -2.11 0.98 0.00 0.00 173.24 170.67 1gkg n ARG 985 N -1.67 0.18 -0.12 4.02 -4.01 -1.26 -1.61 116.66 112.19 1gkg n ARG 985 Ca 0.12 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.93 1gkg n ARG 985 Cb 0.51 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.93 1gkg n ARG 985 CO 0.00 0.00 0.00 0.44 -3.04 0.00 0.00 177.63 175.03 1gkg n ILE 986 N 0.00 0.00 -3.71 8.89 -5.35 -0.97 -3.05 119.36 115.17 1gkg n ILE 986 Ca 0.00 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.32 1gkg n ILE 986 Cb 0.00 0.00 -0.16 0.00 -1.74 0.00 0.00 39.64 37.74 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 -1.90 -0.13 0.10 7.28 -4.23 -1.01 -3.68 115.64 112.07 1gkg s THR 987 Ca 0.00 0.30 -0.01 0.00 -1.18 0.00 0.00 61.69 60.80 1gkg s THR 987 Cb 0.00 -0.21 -0.04 0.00 1.34 0.00 0.00 72.50 73.59 1gkg s THR 987 CO 0.00 0.12 0.26 -0.31 -0.54 0.00 0.00 174.62 174.16 1gkg s TYR 988 N 1.74 3.50 -0.14 3.99 1.51 0.58 -0.50 117.35 128.03 1gkg s TYR 988 Ca -0.02 0.30 -0.12 0.00 -1.01 0.00 0.00 57.07 56.22 1gkg s TYR 988 Cb -0.12 -1.80 0.04 0.00 -0.11 0.00 0.00 41.96 39.96 1gkg s TYR 988 CO -0.05 0.53 0.37 -1.12 -1.11 0.00 0.00 175.55 174.18 1gkg s SER 989 N -2.63 -0.39 0.48 2.29 0.01 -1.04 -4.50 113.70 107.92 1gkg s SER 989 Ca 0.36 0.75 -0.15 0.00 1.31 0.00 0.00 55.95 58.22 1gkg s SER 989 Cb -0.12 0.75 -0.07 0.00 0.21 0.00 0.00 66.02 66.78 1gkg s SER 989 CO 0.27 -0.13 0.92 0.00 0.41 0.00 0.00 173.24 174.71 1gkg n THR 991 N -1.46 0.00 0.00 0.00 5.66 -1.26 -4.80 114.28 112.43 1gkg n THR 991 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1gkg n THR 991 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1gkg n THR 991 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1gkg n THR 992 N 0.00 0.00 -1.27 1.09 5.66 -1.26 -4.58 114.28 113.93 1gkg n THR 992 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1gkg n THR 992 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 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 0.24 0.58 3.10 1.09 0.00 -1.26 -4.81 105.19 104.12 1gkg n GLY 993 Ca 0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 11.14 -0.22 -0.26 1.61 4.02 -1.26 -4.75 115.29 125.57 1gkg s HIS 994 Ca 0.72 0.52 -0.27 0.00 1.02 0.00 0.00 55.06 57.05 1gkg s HIS 994 Cb 0.05 0.07 0.01 0.00 -1.02 0.00 0.00 32.58 31.69 1gkg s HIS 994 CO 0.22 -0.13 0.97 0.50 1.02 0.00 0.00 174.74 177.32 1gkg s ARG 995 N -0.01 4.17 -0.05 1.40 3.52 -0.94 -4.83 118.95 122.22 1gkg s ARG 995 Ca -0.01 1.11 -0.30 0.00 -0.13 0.00 0.00 55.73 56.40 1gkg s ARG 995 Cb -0.02 -3.67 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 1gkg s ARG 995 CO 0.00 -0.66 1.16 -1.17 -0.81 0.00 0.00 175.30 173.82 1gkg s LEU 996 N 3.17 4.29 0.09 -0.88 2.96 -1.26 -0.05 118.68 127.01 1gkg s LEU 996 Ca 0.41 1.79 0.04 0.00 -0.22 0.00 0.00 54.13 56.15 1gkg s LEU 996 Cb -0.14 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1gkg s LEU 996 CO 0.09 -0.53 0.02 -0.63 -1.32 0.00 0.00 176.35 173.98 1gkg s ILE 997 N 1.98 4.16 -0.19 6.68 1.09 0.46 -4.72 121.20 130.66 1gkg s ILE 997 Ca 0.55 -0.94 -0.00 0.00 -1.10 0.00 0.00 60.65 59.16 1gkg s ILE 997 Cb -0.24 -3.00 -0.01 0.00 -1.06 0.00 0.00 42.46 38.16 1gkg s ILE 997 CO 0.23 0.11 0.16 0.61 -0.10 0.00 0.00 174.94 175.95 1gkg n GLY 998 N 0.50 0.42 7.00 6.18 0.00 -1.26 -2.24 105.19 115.79 1gkg n GLY 998 Ca -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1gkg n GLY 998 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1gkg n HIS 999 N -1.65 0.00 -1.97 1.61 8.25 -1.26 -4.55 115.22 115.64 1gkg n HIS 999 Ca -0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.38 1gkg n HIS 999 Cb 0.53 0.06 -0.05 0.00 1.12 0.00 0.00 29.99 31.64 1gkg n HIS 999 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1gkg n SER 1000N -0.92 -0.70 -3.54 0.41 7.64 -1.26 -4.96 113.62 110.28 1gkg n SER 1000Ca 0.00 -1.66 -0.10 0.00 1.01 0.00 0.00 58.87 58.13 1gkg n SER 1000Cb 0.00 0.21 -0.02 0.00 -1.01 0.00 0.00 64.21 63.39 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 -0.70 -0.44 -0.20 6.43 1.04 -1.26 -0.31 113.70 118.26 1gkg s SER 1001Ca 0.00 -0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.18 1gkg s SER 1001Cb 0.00 0.56 0.06 0.00 0.10 0.00 0.00 66.02 66.75 1gkg s SER 1001CO 0.00 -0.95 0.49 0.00 0.98 0.00 0.00 173.24 173.76 1gkg s ALA 1002N -3.60 -1.27 -0.19 5.32 0.00 -1.24 -4.74 121.76 116.04 1gkg s ALA 1002Ca 0.05 1.75 -0.09 0.00 0.00 0.00 0.00 51.96 53.66 1gkg s ALA 1002Cb -0.02 -1.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 1gkg s ALA 1002CO -0.07 -0.29 0.10 -1.83 0.00 0.00 0.00 175.76 173.66 1gkg s GLU 1003N 1.39 4.08 0.05 0.00 -1.05 -1.26 -2.29 118.70 119.62 1gkg s GLU 1003Ca -0.09 -0.28 -0.31 0.00 -0.15 0.00 0.00 54.97 54.14 1gkg s GLU 1003Cb -0.07 -3.33 -0.06 0.00 -0.44 0.00 0.00 34.13 30.23 1gkg s GLU 1003CO -0.14 0.27 1.29 0.00 0.95 0.00 0.00 175.26 177.64 1gkg s ILE 1005N 1.46 0.01 0.33 0.00 -4.36 -0.87 -1.26 121.20 116.51 1gkg s ILE 1005Ca 0.61 -1.70 -0.23 0.00 -0.26 0.00 0.00 60.65 59.08 1gkg s ILE 1005Cb -0.31 -2.30 -0.10 0.00 1.25 0.00 0.00 42.46 41.00 1gkg s ILE 1005CO 0.28 -0.05 0.89 -0.76 0.24 0.00 0.00 174.94 175.54 1gkg s LEU 1006N -3.08 4.21 -0.46 0.37 2.01 -1.26 0.16 118.68 120.62 1gkg s LEU 1006Ca 0.30 1.67 0.06 0.00 0.01 0.00 0.00 54.13 56.17 1gkg s LEU 1006Cb 0.04 -4.09 0.32 0.00 0.01 0.00 0.00 46.19 42.47 1gkg s LEU 1006CO 0.09 -0.14 1.12 -1.20 1.01 0.00 0.00 176.35 177.23 1gkg n SER 1007N 0.18 -2.32 0.00 2.29 7.64 -0.15 -4.83 113.62 116.43 1gkg n SER 1007Ca 0.03 -3.70 0.00 0.00 1.01 0.00 0.00 58.87 56.21 1gkg n SER 1007Cb 0.52 1.91 0.00 0.00 -1.01 0.00 0.00 64.21 65.63 1gkg n SER 1007CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gkg n GLY 1008N 0.35 0.65 2.46 0.23 0.00 -1.26 -4.49 105.19 103.13 1gkg n GLY 1008Ca 0.06 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 -5.45 -3.73 1.61 3.02 -1.26 -4.94 115.26 104.51 1gkg n ASN 1009Ca 0.00 0.25 -0.13 0.00 -0.03 0.00 0.00 54.58 54.67 1gkg n ASN 1009Cb 0.00 -4.68 -0.10 0.00 -0.61 0.00 0.00 39.78 34.38 1gkg n ASN 1009CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1gkg s THR 1010N -2.83 -0.00 0.20 3.41 2.01 -1.26 -5.11 115.64 112.05 1gkg s THR 1010Ca 0.00 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 1gkg s THR 1010Cb 0.00 -0.57 -0.08 0.00 0.01 0.00 0.00 72.50 71.86 1gkg s THR 1010CO 0.00 0.00 1.10 0.00 -0.69 0.00 0.00 174.62 175.03 1gkg s ALA 1011N 0.31 3.38 -0.11 7.40 0.00 -1.26 -0.98 121.76 130.50 1gkg s ALA 1011Ca -0.01 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 52.66 1gkg s ALA 1011Cb -0.03 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.77 1gkg s ALA 1011CO -0.00 -0.19 0.34 -1.01 0.00 0.00 0.00 175.76 174.89 1gkg s HIS 1012N -0.43 -0.35 0.00 0.00 3.76 0.12 -4.38 115.29 114.02 1gkg s HIS 1012Ca 0.48 0.83 -0.30 0.00 -0.15 0.00 0.00 55.06 55.92 1gkg s HIS 1012Cb -0.30 0.12 -0.06 0.00 1.11 0.00 0.00 32.58 33.45 1gkg s HIS 1012CO 0.36 -0.21 1.55 -1.58 -0.85 0.00 0.00 174.74 174.01 1gkg s TRP 1013N -0.02 2.47 0.61 1.40 0.52 -1.26 -2.06 118.94 120.59 1gkg s TRP 1013Ca -0.02 0.48 0.29 0.00 0.02 0.00 0.00 56.10 56.87 1gkg s TRP 1013Cb -0.03 -3.83 1.49 0.00 -1.15 0.00 0.00 33.47 29.95 1gkg s TRP 1013CO 0.01 -3.30 1.89 0.77 0.02 0.00 0.00 176.95 176.34 1gkg h SER 1014N 8.47 0.00 -3.02 2.95 0.02 -1.65 -3.41 113.55 116.91 1gkg h SER 1014Ca -0.40 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.89 1gkg h SER 1014Cb 1.18 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.62 1gkg h SER 1014CO 0.93 0.00 -0.56 0.42 -1.14 0.00 0.00 176.83 176.48 1gkg s THR 1015N -4.49 4.87 0.61 -2.27 -4.23 -1.26 -5.01 115.64 103.86 1gkg s THR 1015Ca -0.04 -0.15 -0.19 0.00 -1.18 0.00 0.00 61.69 60.13 1gkg s THR 1015Cb 0.14 -3.14 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 1gkg s THR 1015CO 0.48 0.52 1.26 -1.59 -0.54 0.00 0.00 174.62 174.74 1gkg s LYS 1016N -1.25 2.79 -0.05 3.99 -2.85 -1.26 -4.89 119.74 116.22 1gkg s LYS 1016Ca 0.18 1.97 -0.34 0.00 -1.00 0.00 0.00 55.97 56.78 1gkg s LYS 1016Cb -0.12 -1.91 -0.12 0.00 -2.06 0.00 0.00 37.83 33.62 1gkg s LYS 1016CO 0.07 -1.39 1.87 -0.35 0.10 0.00 0.00 175.35 175.65 1gkg n PRO 1017N -1.69 2.27 -1.74 1.78 -0.04 -1.26 -4.86 135.00 129.45 1gkg n PRO 1017Ca 0.14 0.83 -0.39 0.00 -0.04 0.00 0.00 63.50 64.04 1gkg n PRO 1017Cb 0.49 -2.68 0.04 0.00 -0.04 0.00 0.00 33.50 31.30 1gkg n PRO 1017CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1gkg n PRO 1018N 6.47 1.79 -3.77 0.54 -0.02 -1.26 -4.88 135.00 133.87 1gkg n PRO 1018Ca 0.22 0.65 -0.15 0.00 -2.02 0.00 0.00 63.50 62.20 1gkg n PRO 1018Cb 0.31 -2.54 -0.16 0.00 -0.02 0.00 0.00 33.50 31.08 1gkg n PRO 1018CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1gkg s ILE 1019N -1.27 -0.06 -0.48 4.25 -4.36 -0.95 -2.60 121.20 115.73 1gkg s ILE 1019Ca 0.69 0.21 -0.24 0.00 -0.26 0.00 0.00 60.65 61.04 1gkg s ILE 1019Cb -0.43 -0.08 0.03 0.00 1.25 0.00 0.00 42.46 43.23 1gkg s ILE 1019CO 0.52 0.09 0.89 0.00 0.24 0.00 0.00 174.94 176.67 1gkg s GLN 1021N 3.67 4.54 -0.11 0.00 2.00 0.93 -4.81 119.66 125.88 1gkg s GLN 1021Ca 0.33 1.29 -0.29 0.00 -2.00 0.00 0.00 55.36 54.69 1gkg s GLN 1021Cb -0.11 -3.45 -0.03 0.00 0.80 0.00 0.00 33.01 30.22 1gkg s GLN 1021CO 0.24 0.01 1.43 -0.98 -0.50 0.00 0.00 175.29 175.48 1gkg s ARG 1022N 0.85 4.21 -0.29 1.67 1.70 -1.26 -2.20 118.95 123.63 1gkg s ARG 1022Ca 0.48 1.89 -0.28 0.00 -0.47 0.00 0.00 55.73 57.35 1gkg s ARG 1022Cb -0.20 -3.85 -0.02 0.00 -0.57 0.00 0.00 34.95 30.30 1gkg s ARG 1022CO 0.26 -0.76 1.82 0.42 -1.08 0.00 0.00 175.30 175.95 1gkg s ILE 1023N 3.70 3.45 0.11 4.99 1.01 -1.26 -4.93 121.20 128.27 1gkg s ILE 1023Ca 0.63 0.47 -0.32 0.00 0.00 0.00 0.00 60.65 61.43 1gkg s ILE 1023Cb -0.27 -3.57 -0.11 0.00 0.01 0.00 0.00 42.46 38.52 1gkg s ILE 1023CO 0.21 -0.34 1.82 -2.65 0.00 0.00 0.00 174.94 173.99 1gkg n PRO 1024N 8.32 2.71 -3.56 2.79 -0.02 -1.16 -4.29 135.00 139.79 1gkg n PRO 1024Ca 0.23 0.99 -0.37 0.00 -2.02 0.00 0.00 63.50 62.33 1gkg n PRO 1024Cb 0.46 -2.87 -0.07 0.00 -0.02 0.00 0.00 33.50 31.01 1gkg n PRO 1024CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gkg n GLY 1026N 2.92 0.22 3.76 0.00 0.00 -1.23 -3.38 105.19 107.48 1gkg n GLY 1026Ca -0.13 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 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 4.43 0.53 0.99 2.01 -1.26 -4.63 118.68 120.75 1gkg s LEU 1027Ca 0.00 2.64 -0.21 0.00 0.01 0.00 0.00 54.13 56.57 1gkg s LEU 1027Cb 0.00 -3.64 -0.06 0.00 0.01 0.00 0.00 46.19 42.50 1gkg s LEU 1027CO 0.00 -0.53 1.16 -2.16 1.01 0.00 0.00 176.35 175.84 1gkg s PRO 1028N -1.48 3.41 -0.20 1.29 0.04 -1.26 -4.91 135.00 131.89 1gkg s PRO 1028Ca 0.50 1.72 -0.29 0.00 0.04 0.00 0.00 61.00 62.98 1gkg s PRO 1028Cb -0.39 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 31.96 1gkg s PRO 1028CO 0.50 -0.83 2.20 -2.30 0.04 0.00 0.00 177.00 176.61 1gkg n PRO 1029N -1.08 1.98 -2.55 0.56 -0.02 -1.26 -4.92 135.00 127.71 1gkg n PRO 1029Ca 0.11 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 1gkg n PRO 1029Cb 0.50 -3.15 -0.02 0.00 -0.02 0.00 0.00 33.50 30.80 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 7.83 4.48 -0.24 3.45 -4.23 -1.26 -4.88 115.64 120.79 1gkg s THR 1030Ca 1.00 1.79 0.02 0.00 -1.18 0.00 0.00 61.69 63.32 1gkg s THR 1030Cb -0.39 -4.15 0.29 0.00 1.34 0.00 0.00 72.50 69.59 1gkg s THR 1030CO 0.37 -0.08 1.36 2.30 -0.54 0.00 0.00 174.62 178.03 1gkg n ILE 1031N 5.00 1.87 -1.84 2.99 -5.35 -1.26 -4.98 119.36 115.79 1gkg n ILE 1031Ca 0.12 -0.80 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 1gkg n ILE 1031Cb 0.46 -0.74 0.00 0.00 -1.74 0.00 0.00 39.64 37.63 1gkg n ILE 1031CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gkg n ALA 1032N -0.16 -1.64 0.00 -1.28 0.00 -1.26 -4.21 120.51 111.96 1gkg n ALA 1032Ca 0.24 0.32 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1gkg n ALA 1032Cb 0.97 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 1.09 0.00 -4.69 0.00 3.02 -1.26 -4.76 115.26 108.66 1gkg n ASN 1033Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1gkg n ASN 1033Cb 0.00 -0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 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 -0.34 1.78 0.00 7.41 0.00 -1.25 0.09 107.32 115.01 1gkg s GLY 1034Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 44.72 45.65 1gkg s GLY 1034CO 0.00 2.61 0.00 1.22 0.00 0.00 0.00 173.10 176.93 1gkg n ASP 1035N 5.54 0.00 -3.68 1.64 9.92 -1.24 -4.52 116.55 124.21 1gkg n ASP 1035Ca 0.14 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.27 1gkg n ASP 1035Cb 0.43 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.83 1gkg n ASP 1035CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1gkg s PHE 1036N 0.00 -0.68 -0.24 1.24 -0.12 -1.25 -2.44 117.98 114.50 1gkg s PHE 1036Ca 0.00 1.59 0.15 0.00 -0.05 0.00 0.00 56.93 58.61 1gkg s PHE 1036Cb 0.00 0.27 0.47 0.00 -0.63 0.00 0.00 43.02 43.13 1gkg s PHE 1036CO 0.00 -0.33 1.16 -0.89 -0.05 0.00 0.00 175.22 175.11 1gkg n ILE 1037N 3.10 1.81 -2.23 -4.49 2.08 0.90 -4.93 119.36 115.60 1gkg n ILE 1037Ca -0.15 -3.34 -0.38 0.00 0.56 0.00 0.00 62.75 59.44 1gkg n ILE 1037Cb 0.56 0.02 -0.01 0.00 -0.75 0.00 0.00 39.64 39.46 1gkg n ILE 1037CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1gkg s SER 1038N -3.47 6.24 0.30 4.38 1.04 -1.26 -4.39 113.70 116.53 1gkg s SER 1038Ca 0.40 2.36 -0.02 0.00 0.48 0.00 0.00 55.95 59.17 1gkg s SER 1038Cb 0.37 -2.61 0.45 0.00 0.10 0.00 0.00 66.02 64.34 1gkg s SER 1038CO -0.02 -0.87 1.95 0.74 0.98 0.00 0.00 173.24 176.02 1gkg h THR 1039N 2.02 1.18 -0.33 2.02 2.02 -1.99 -3.42 112.91 114.41 1gkg h THR 1039Ca -0.49 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1gkg h THR 1039Cb 1.25 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1gkg h THR 1039CO 0.61 0.20 0.00 -0.46 0.37 0.00 0.00 175.52 176.24 1gkg n ASN 1040N -4.42 0.00 0.11 4.18 0.23 -1.26 -5.06 115.26 109.03 1gkg n ASN 1040Ca 0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.15 1gkg n ASN 1040Cb 0.06 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 1gkg n ASN 1040CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1gkg n ARG 1041N 0.00 0.00 -3.55 -3.83 5.12 -1.26 -5.09 116.66 108.05 1gkg n ARG 1041Ca 0.00 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.77 1gkg n ARG 1041Cb 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.24 1gkg n ARG 1041CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1gkg s GLU 1042N -2.00 0.88 -0.08 5.56 2.12 -1.26 -5.02 118.70 118.90 1gkg s GLU 1042Ca 0.00 0.30 -0.00 0.00 0.36 0.00 0.00 54.97 55.63 1gkg s GLU 1042Cb 0.00 0.42 -0.00 0.00 0.26 0.00 0.00 34.13 34.80 1gkg s GLU 1042CO 0.00 -0.26 0.08 0.09 -0.54 0.00 0.00 175.26 174.63 1gkg n ASN 1043N 1.06 -2.49 -4.73 -1.70 3.02 -1.26 -5.01 115.26 104.14 1gkg n ASN 1043Ca -0.16 -0.04 -0.41 0.00 -0.03 0.00 0.00 54.58 53.95 1gkg n ASN 1043Cb 0.57 -1.18 -0.04 0.00 -0.61 0.00 0.00 39.78 38.52 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 -3.02 3.64 -0.24 3.10 0.40 -1.22 -4.97 117.98 115.67 1gkg s PHE 1044Ca 0.02 1.63 -0.16 0.00 -0.60 0.00 0.00 56.93 57.81 1gkg s PHE 1044Cb -0.00 -3.23 -0.13 0.00 0.51 0.00 0.00 43.02 40.17 1gkg s PHE 1044CO 0.07 -0.45 -0.20 0.72 0.70 0.00 0.00 175.22 176.06 1gkg n HIS 1045N 2.63 0.31 0.00 0.36 8.25 -1.26 -1.38 115.22 124.13 1gkg n HIS 1045Ca 0.03 0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1gkg n HIS 1045Cb 0.47 -0.96 0.00 0.00 1.12 0.00 0.00 29.99 30.62 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 -4.34 0.00 0.00 4.41 9.36 -1.26 -1.65 117.16 123.68 1gkg n TYR 1046Ca -0.43 0.00 0.00 0.00 3.32 0.00 0.00 57.90 60.79 1gkg n TYR 1046Cb 0.77 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.48 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 -0.45 2.48 3.56 2.98 0.00 -1.21 -4.96 105.19 107.59 1gkg n GLY 1047Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 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 0.96 -4.85 1.61 7.64 -1.26 -4.38 113.62 113.34 1gkg n SER 1048Ca 0.00 1.15 -0.33 0.00 1.01 0.00 0.00 58.87 60.70 1gkg n SER 1048Cb 0.00 -1.19 -0.06 0.00 -1.01 0.00 0.00 64.21 61.96 1gkg n SER 1048CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1gkg s VAL 1049N -0.48 5.07 -0.06 0.44 1.01 -1.26 -2.21 120.40 122.91 1gkg s VAL 1049Ca 0.70 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 1gkg s VAL 1049Cb -0.85 -3.38 0.04 0.00 0.00 0.00 0.00 36.38 32.19 1gkg s VAL 1049CO 0.55 0.28 0.12 0.68 0.00 0.00 0.00 175.10 176.73 1gkg s VAL 1050N -1.31 -0.12 -0.42 2.92 -7.23 -0.85 -3.61 120.40 109.77 1gkg s VAL 1050Ca 0.27 0.26 -0.15 0.00 -1.81 0.00 0.00 61.98 60.56 1gkg s VAL 1050Cb -0.12 -0.22 0.04 0.00 0.56 0.00 0.00 36.38 36.63 1gkg s VAL 1050CO 0.19 0.11 0.32 -0.89 -0.31 0.00 0.00 175.10 174.51 1gkg s THR 1051N 1.59 5.18 0.73 5.32 2.01 -1.26 -1.54 115.64 127.66 1gkg s THR 1051Ca -0.04 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 61.05 1gkg s THR 1051Cb -0.12 -3.94 0.03 0.00 0.01 0.00 0.00 72.50 68.47 1gkg s THR 1051CO -0.05 -0.38 1.08 -0.31 -0.69 0.00 0.00 174.62 174.27 1gkg s TYR 1052N 1.65 3.13 0.00 4.92 1.51 -0.13 -0.07 117.35 128.37 1gkg s TYR 1052Ca 0.04 1.19 0.00 0.00 -1.01 0.00 0.00 57.07 57.30 1gkg s TYR 1052Cb -0.20 -3.01 0.00 0.00 -0.11 0.00 0.00 41.96 38.64 1gkg s TYR 1052CO 0.09 -1.36 0.00 0.54 -1.11 0.00 0.00 175.55 173.71 1gkg n ARG 1053N -3.16 0.00 -3.59 -0.62 1.74 -1.02 -4.76 116.66 105.25 1gkg n ARG 1053Ca 0.07 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.02 1gkg n ARG 1053Cb 0.56 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.93 1gkg n ARG 1053CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gkg n ASN 1055N 1.58 1.96 -1.79 0.00 5.15 0.11 -4.67 115.26 117.60 1gkg n ASN 1055Ca -0.14 -2.56 -0.01 0.00 -0.60 0.00 0.00 54.58 51.26 1gkg n ASN 1055Cb 0.56 -0.85 -0.02 0.00 -0.53 0.00 0.00 39.78 38.94 1gkg n ASN 1055CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1gkg n LEU 1056N 7.75 3.26 0.00 1.20 7.99 -1.26 -4.86 117.00 131.07 1gkg n LEU 1056Ca 0.46 -1.60 0.00 0.00 -0.01 0.00 0.00 56.01 54.86 1gkg n LEU 1056Cb 0.38 -0.72 0.00 0.00 -0.11 0.00 0.00 43.42 42.96 1gkg n LEU 1056CO 1.06 0.66 0.00 0.61 -1.51 0.00 0.00 177.39 178.21 1gkg n GLY 1057N 1.89 1.07 0.09 -0.72 0.00 -1.26 -1.52 105.19 104.74 1gkg n GLY 1057Ca 0.05 0.57 -0.12 0.00 0.00 0.00 0.00 46.02 46.51 1gkg n GLY 1057CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1gkg h SER 1058N 0.00 0.18 0.00 1.61 0.02 -1.96 -3.47 113.55 109.93 1gkg h SER 1058Ca 0.00 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1gkg h SER 1058Cb 0.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1gkg h SER 1058CO 0.00 0.51 0.00 -1.14 -1.14 0.00 0.00 176.83 175.06 1gkg n ARG 1059N -4.78 0.00 -2.40 3.45 3.00 -0.58 -5.03 116.66 110.33 1gkg n ARG 1059Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.77 1gkg n ARG 1059Cb 0.23 0.00 0.10 0.00 0.00 0.00 0.00 32.46 32.79 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 -1.35 1.38 3.93 5.14 0.00 -1.19 -4.53 105.19 108.57 1gkg n GLY 1060Ca 0.00 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 1gkg n GLY 1060CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gkg s ARG 1061N 0.10 1.69 -1.14 1.61 3.00 -1.23 -4.90 118.95 118.08 1gkg s ARG 1061Ca 0.07 -0.27 -0.25 0.00 0.00 0.00 0.00 55.73 55.28 1gkg s ARG 1061Cb 0.35 -2.04 -0.16 0.00 0.00 0.00 0.00 34.95 33.10 1gkg s ARG 1061CO -0.10 -1.66 2.01 1.17 0.00 0.00 0.00 175.30 176.72 1gkg n LYS 1062N -3.24 0.94 -3.26 3.54 4.81 -1.26 -4.68 118.16 115.01 1gkg n LYS 1062Ca 0.10 -2.13 -0.06 0.00 -0.87 0.00 0.00 58.31 55.35 1gkg n LYS 1062Cb 0.60 -3.82 -0.04 0.00 0.02 0.00 0.00 35.03 31.79 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 13.85 -0.74 0.17 3.15 -7.23 -1.26 -5.10 120.40 123.24 1gkg s VAL 1063Ca 0.74 -0.35 0.00 0.00 -1.81 0.00 0.00 61.98 60.56 1gkg s VAL 1063Cb -0.02 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.46 1gkg s VAL 1063CO 0.16 -0.22 0.00 0.49 -0.31 0.00 0.00 175.10 175.22 1gkg n PHE 1064N 4.61 -1.37 -4.00 2.82 3.01 -1.26 -4.33 117.46 116.93 1gkg n PHE 1064Ca 0.09 0.73 -0.16 0.00 1.01 0.00 0.00 57.45 59.12 1gkg n PHE 1064Cb 0.52 -1.74 -0.15 0.00 -0.01 0.00 0.00 39.48 38.10 1gkg n PHE 1064CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1gkg s GLU 1065N -5.17 0.35 0.61 -1.08 2.02 -1.25 -4.80 118.70 109.37 1gkg s GLU 1065Ca 0.00 -0.02 -0.17 0.00 0.02 0.00 0.00 54.97 54.80 1gkg s GLU 1065Cb 0.00 -0.44 -0.03 0.00 0.10 0.00 0.00 34.13 33.76 1gkg s GLU 1065CO 0.00 -0.05 1.14 -1.17 0.02 0.00 0.00 175.26 175.20 1gkg s LEU 1066N 0.59 3.58 -0.01 1.80 2.96 -1.26 -0.54 118.68 125.81 1gkg s LEU 1066Ca -0.06 2.16 0.01 0.00 -0.22 0.00 0.00 54.13 56.02 1gkg s LEU 1066Cb -0.09 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 42.03 1gkg s LEU 1066CO -0.01 -1.51 -0.02 -0.69 -1.32 0.00 0.00 176.35 172.81 1gkg s VAL 1067N -1.96 0.17 0.00 1.68 1.01 0.48 -4.90 120.40 116.88 1gkg s VAL 1067Ca 0.72 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1gkg s VAL 1067Cb -0.24 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1gkg s VAL 1067CO 0.34 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1gkg n GLY 1068N 3.19 -1.84 3.70 4.51 0.00 -1.26 -1.96 105.19 111.52 1gkg n GLY 1068Ca -0.15 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 1gkg n GLY 1068CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gkg s GLU 1069N 0.00 4.33 0.03 1.61 1.03 -1.26 -4.88 118.70 119.55 1gkg s GLU 1069Ca 0.00 1.89 -0.07 0.00 0.03 0.00 0.00 54.97 56.81 1gkg s GLU 1069Cb 0.00 -3.48 -0.30 0.00 -0.80 0.00 0.00 34.13 29.55 1gkg s GLU 1069CO 0.00 -0.47 0.95 -1.00 -1.33 0.00 0.00 175.26 173.42 1gkg h PRO 1070N 7.40 0.34 -6.56 -4.83 0.13 -1.87 -3.32 132.00 123.29 1gkg h PRO 1070Ca -0.39 -0.58 -0.52 0.00 -0.87 0.00 0.00 66.00 63.64 1gkg h PRO 1070Cb 1.19 0.22 -0.03 0.00 0.13 0.00 0.00 31.00 32.50 1gkg h PRO 1070CO 0.87 1.25 0.19 -1.54 -0.23 0.00 0.00 178.00 178.54 1gkg s SER 1071N -7.21 7.36 0.05 1.44 1.04 -1.26 -0.95 113.70 114.18 1gkg s SER 1071Ca -0.08 1.65 -0.00 0.00 0.48 0.00 0.00 55.95 57.99 1gkg s SER 1071Cb 0.06 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1gkg s SER 1071CO 0.88 0.17 0.07 2.30 0.98 0.00 0.00 173.24 177.65 1gkg n ILE 1072N 1.41 0.00 -3.59 -1.02 -5.35 -0.59 -4.98 119.36 105.23 1gkg n ILE 1072Ca -0.05 -0.29 -0.14 0.00 -0.27 0.00 0.00 62.75 62.01 1gkg n ILE 1072Cb 0.49 0.17 -0.07 0.00 -1.74 0.00 0.00 39.64 38.50 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 -4.45 -0.66 0.68 4.28 -0.85 -1.26 -2.01 117.35 113.09 1gkg s TYR 1073Ca 0.05 1.44 -0.15 0.00 -0.52 0.00 0.00 57.07 57.88 1gkg s TYR 1073Cb -0.00 0.34 0.01 0.00 0.38 0.00 0.00 41.96 42.69 1gkg s TYR 1073CO 0.03 -0.42 1.15 0.00 -1.52 0.00 0.00 175.55 174.80 1gkg n THR 1075N -2.45 0.00 -3.68 0.00 5.66 0.10 -3.29 114.28 110.62 1gkg n THR 1075Ca 0.12 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.99 1gkg n THR 1075Cb 0.51 0.00 -0.09 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 1.38 -0.62 -0.04 1.09 0.15 -1.25 -3.78 113.70 110.63 1gkg s SER 1076Ca 0.00 1.16 0.01 0.00 0.70 0.00 0.00 55.95 57.82 1gkg s SER 1076Cb 0.00 1.14 0.04 0.00 -1.71 0.00 0.00 66.02 65.50 1gkg s SER 1076CO 0.00 -0.20 0.76 -0.46 1.20 0.00 0.00 173.24 174.53 1gkg n ASN 1077N 3.11 -0.72 0.00 5.45 2.04 -1.26 -4.99 115.26 118.89 1gkg n ASN 1077Ca -0.15 -1.42 0.00 0.00 -0.44 0.00 0.00 54.58 52.57 1gkg n ASN 1077Cb 0.56 0.24 0.00 0.00 -2.53 0.00 0.00 39.78 38.06 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 -0.17 0.00 0.00 0.53 2.03 -1.26 -5.10 116.55 112.58 1gkg n ASP 1078Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 1gkg n ASP 1078Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 1gkg n ASP 1078CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1gkg n ASP 1079N 0.00 0.00 -0.26 1.67 9.92 -1.26 -4.60 116.55 122.02 1gkg n ASP 1079Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1gkg n ASP 1079Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1gkg n ASP 1079CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gkg n GLN 1080N 13.81 3.23 0.00 -1.24 10.64 -1.26 -4.46 117.38 138.10 1gkg n GLN 1080Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1gkg n GLN 1080Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1gkg n VAL 1081N 0.00 0.00 -2.66 -0.39 0.31 -1.26 -4.45 118.33 109.88 1gkg n VAL 1081Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1gkg n VAL 1081Cb 0.00 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 32.97 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 0.00 -0.62 3.71 2.92 0.00 -1.25 -3.52 105.19 106.43 1gkg n GLY 1082Ca 0.00 0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.20 4.83 1.12 -0.61 1.01 -1.25 -4.10 121.20 119.01 1gkg s ILE 1083Ca 0.23 2.04 -0.18 0.00 0.00 0.00 0.00 60.65 62.75 1gkg s ILE 1083Cb -0.03 -4.31 0.25 0.00 0.01 0.00 0.00 42.46 38.38 1gkg s ILE 1083CO 0.51 0.18 1.16 0.26 0.00 0.00 0.00 174.94 177.05 1gkg s TRP 1084N 0.88 0.94 0.05 3.97 0.52 -1.26 -0.73 118.94 123.31 1gkg s TRP 1084Ca 0.51 0.49 -0.21 0.00 0.02 0.00 0.00 56.10 56.91 1gkg s TRP 1084Cb -0.21 -3.61 -0.10 0.00 -1.15 0.00 0.00 33.47 28.40 1gkg s TRP 1084CO 0.28 -3.45 1.33 1.03 0.02 0.00 0.00 176.95 176.15 1gkg h SER 1085N -2.26 -0.80 0.00 2.95 0.87 -0.96 -3.41 113.55 109.93 1gkg h SER 1085Ca -0.45 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1gkg h SER 1085Cb 1.28 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1gkg h SER 1085CO 0.38 -0.40 0.00 0.61 -0.53 0.00 0.00 176.83 176.88 1gkg n GLY 1086N -1.34 1.10 1.94 5.77 0.00 -1.26 -5.02 105.19 106.38 1gkg n GLY 1086Ca -0.07 0.30 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 1gkg n GLY 1086CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gkg n PRO 1087N -0.01 1.84 -0.06 1.61 -0.04 -1.26 -4.57 135.00 132.50 1gkg n PRO 1087Ca 0.00 -0.85 -0.10 0.00 -0.04 0.00 0.00 63.50 62.50 1gkg n PRO 1087Cb 0.00 -1.86 -0.04 0.00 -0.04 0.00 0.00 33.50 31.56 1gkg n PRO 1087CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gkg h ALA 1088N 2.77 0.29 -1.79 0.55 0.00 -1.96 -3.44 119.26 115.68 1gkg h ALA 1088Ca 0.16 -0.09 -0.63 0.00 0.00 0.00 0.00 54.91 54.35 1gkg h ALA 1088Cb 1.43 -0.09 0.09 0.00 0.00 0.00 0.00 17.79 19.22 1gkg h ALA 1088CO 0.20 -0.14 0.15 -0.35 0.00 0.00 0.00 179.25 179.12 1gkg n PRO 1089N -4.83 1.16 -3.72 0.00 -0.04 -1.25 -4.90 135.00 121.41 1gkg n PRO 1089Ca -0.03 0.41 -0.12 0.00 -0.04 0.00 0.00 63.50 63.72 1gkg n PRO 1089Cb 0.10 -1.82 -0.11 0.00 -0.04 0.00 0.00 33.50 31.63 1gkg n PRO 1089CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1gkg s GLN 1090N -0.90 0.36 -0.13 0.54 -0.44 -0.83 -4.84 119.66 113.42 1gkg s GLN 1090Ca 0.67 0.64 -0.06 0.00 -2.50 0.00 0.00 55.36 54.11 1gkg s GLN 1090Cb -0.80 0.02 -0.04 0.00 -1.64 0.00 0.00 33.01 30.56 1gkg s GLN 1090CO 0.56 -0.13 0.09 0.00 0.50 0.00 0.00 175.29 176.31