#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 -3.46 0.62 0.00 -1.26 -5.12 120.51 111.29 1gkg n ALA 958 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1gkg n ALA 958 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1gkg n ALA 958 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1gkg s GLU 959 N -1.65 0.24 0.00 0.00 -6.30 -1.26 -5.03 118.70 104.71 1gkg s GLU 959 Ca 0.00 0.53 0.00 0.00 -2.50 0.00 0.00 54.97 53.00 1gkg s GLU 959 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 34.13 34.36 1gkg s GLU 959 CO 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 175.26 175.21 1gkg n ALA 960 N 4.36 0.00 -1.52 6.30 0.00 -1.26 -5.14 120.51 123.26 1gkg n ALA 960 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1gkg n ALA 960 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1gkg n ALA 960 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1gkg n LYS 961 N -0.58 -4.08 -3.86 0.00 3.00 -1.26 -4.06 118.16 107.32 1gkg n LYS 961 Ca 0.00 2.97 -0.36 0.00 -0.00 0.00 0.00 58.31 60.92 1gkg n LYS 961 Cb 0.00 -3.19 -0.06 0.00 0.00 0.00 0.00 35.03 31.78 1gkg n LYS 961 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1gkg s SER 962 N -1.27 6.41 -0.00 3.14 1.04 -1.26 -2.26 113.70 119.50 1gkg s SER 962 Ca 0.00 0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.90 1gkg s SER 962 Cb 0.00 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 64.06 1gkg s SER 962 CO 0.00 0.36 1.30 0.00 0.98 0.00 0.00 173.24 175.88 1gkg n LYS 964 N 0.80 -4.97 -1.88 0.00 4.81 -1.26 -4.59 118.16 111.07 1gkg n LYS 964 Ca 0.00 3.66 -0.42 0.00 -0.87 0.00 0.00 58.31 60.68 1gkg n LYS 964 Cb 0.50 -4.09 -0.03 0.00 0.02 0.00 0.00 35.03 31.43 1gkg n LYS 964 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1gkg s THR 965 N -3.00 2.98 -0.31 3.15 2.01 -1.26 -4.91 115.64 114.31 1gkg s THR 965 Ca 0.00 0.40 -0.28 0.00 0.31 0.00 0.00 61.69 62.12 1gkg s THR 965 Cb 0.00 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 1gkg s THR 965 CO 0.00 -0.00 1.90 -2.16 -0.69 0.00 0.00 174.62 173.67 1gkg s PRO 966 N 2.83 3.27 0.09 4.92 0.04 -1.26 -4.95 135.00 139.93 1gkg s PRO 966 Ca 0.76 1.57 -0.31 0.00 0.04 0.00 0.00 61.00 63.06 1gkg s PRO 966 Cb -0.41 -4.24 -0.07 0.00 0.04 0.00 0.00 34.50 29.82 1gkg s PRO 966 CO 0.33 -1.93 1.30 -2.14 0.04 0.00 0.00 177.00 174.60 1gkg s PRO 967 N 5.85 4.37 -0.53 0.56 0.02 -1.26 -4.80 135.00 139.22 1gkg s PRO 967 Ca 0.85 1.94 -0.31 0.00 0.02 0.00 0.00 61.00 63.49 1gkg s PRO 967 Cb -0.25 -3.30 -0.12 0.00 0.02 0.00 0.00 34.50 30.85 1gkg s PRO 967 CO 0.34 -0.36 2.37 -3.47 -0.33 0.00 0.00 177.00 175.55 1gkg n ASP 968 N 3.96 1.80 -3.17 2.53 2.03 -1.26 -4.92 116.55 117.51 1gkg n ASP 968 Ca 0.10 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1gkg n ASP 968 Cb 0.44 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 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 8.51 2.45 -1.38 -0.67 -0.02 -1.21 -4.76 135.00 137.92 1gkg n PRO 969 Ca 0.45 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.83 1gkg n PRO 969 Cb 0.28 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.67 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 -0.04 0.00 0.00 -1.45 3.14 -1.26 -3.68 118.33 115.04 1gkg n VAL 970 Ca 0.00 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 1gkg n VAL 970 Cb 0.00 -1.05 0.00 0.00 -1.06 0.00 0.00 33.84 31.73 1gkg n VAL 970 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1gkg n ASN 971 N 12.61 0.00 -4.64 6.55 5.15 -1.26 -4.33 115.26 129.34 1gkg n ASN 971 Ca 0.34 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.89 1gkg n ASN 971 Cb 0.42 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.64 1gkg n ASN 971 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1gkg s GLY 972 N 0.00 1.29 0.17 8.20 0.00 -1.24 -4.63 107.32 111.10 1gkg s GLY 972 Ca 0.00 0.64 -0.25 0.00 0.00 0.00 0.00 44.72 45.11 1gkg s GLY 972 CO 0.00 3.05 0.77 1.06 0.00 0.00 0.00 173.10 177.98 1gkg s MET 973 N 4.53 4.55 0.20 2.90 -1.94 -0.50 -3.34 119.30 125.70 1gkg s MET 973 Ca 0.73 1.14 -0.12 0.00 -1.71 0.00 0.00 55.69 55.73 1gkg s MET 973 Cb -0.28 -3.25 -0.07 0.00 2.01 0.00 0.00 34.83 33.24 1gkg s MET 973 CO 0.29 0.57 0.57 0.54 -0.01 0.00 0.00 175.02 176.98 1gkg s VAL 974 N -1.16 4.86 -0.82 -6.03 0.11 -1.26 -2.10 120.40 114.01 1gkg s VAL 974 Ca 0.36 0.69 -0.01 0.00 -2.93 0.00 0.00 61.98 60.09 1gkg s VAL 974 Cb -0.23 -3.67 0.20 0.00 -1.53 0.00 0.00 36.38 31.15 1gkg s VAL 974 CO 0.26 0.06 0.68 -1.00 -3.33 0.00 0.00 175.10 171.77 1gkg s HIS 975 N -1.68 3.76 -1.03 1.54 3.76 0.15 -4.98 115.29 116.80 1gkg s HIS 975 Ca 0.44 -2.99 -0.24 0.00 -0.15 0.00 0.00 55.06 52.12 1gkg s HIS 975 Cb -0.13 -3.18 -0.08 0.00 1.11 0.00 0.00 32.58 30.31 1gkg s HIS 975 CO 0.20 -0.74 1.97 0.54 -0.85 0.00 0.00 174.74 175.86 1gkg s VAL 976 N -1.09 3.46 0.00 -0.90 0.11 -1.26 -2.54 120.40 118.18 1gkg s VAL 976 Ca 0.25 -0.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 1gkg s VAL 976 Cb -0.10 -4.22 0.00 0.00 -1.53 0.00 0.00 36.38 30.53 1gkg s VAL 976 CO -0.11 -0.90 0.00 -0.38 -3.33 0.00 0.00 175.10 170.38 1gkg n ILE 977 N 7.93 0.00 0.00 7.04 5.41 -1.26 -4.73 119.36 133.75 1gkg n ILE 977 Ca 0.43 0.11 0.00 0.00 1.00 0.00 0.00 62.75 64.29 1gkg n ILE 977 Cb 0.47 -0.35 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 1gkg n ILE 977 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1gkg n THR 978 N 0.00 0.00 0.00 1.39 -2.24 -1.22 -5.01 114.28 107.20 1gkg n THR 978 Ca 0.00 1.40 0.00 0.00 -2.27 0.00 0.00 64.05 63.18 1gkg n THR 978 Cb 0.00 -2.29 0.00 0.00 -2.10 0.00 0.00 70.33 65.94 1gkg n THR 978 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1gkg n ASP 979 N -1.87 1.45 0.00 3.42 9.92 -1.26 -5.02 116.55 123.19 1gkg n ASP 979 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1gkg n ASP 979 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1gkg n ASP 979 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63 1gkg n ILE 980 N 0.00 0.00 -1.32 0.53 -5.35 -1.26 -4.68 119.36 107.28 1gkg n ILE 980 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 1gkg n ILE 980 Cb 0.00 0.00 0.21 0.00 -1.74 0.00 0.00 39.64 38.11 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 -0.12 -0.46 0.37 6.28 -0.21 -1.26 -2.64 119.66 121.63 1gkg s GLN 981 Ca 0.00 -0.06 -0.23 0.00 0.02 0.00 0.00 55.36 55.08 1gkg s GLN 981 Cb 0.00 -1.69 -0.14 0.00 1.00 0.00 0.00 33.01 32.18 1gkg s GLN 981 CO 0.00 -3.21 0.49 0.28 -2.12 0.00 0.00 175.29 170.73 1gkg n VAL 982 N -4.40 1.58 0.00 1.09 0.31 -0.96 -1.16 118.33 114.80 1gkg n VAL 982 Ca 0.12 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1gkg n VAL 982 Cb 0.59 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 1gkg n VAL 982 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gkg n GLY 983 N 1.89 2.15 3.76 2.92 0.00 -0.77 -4.96 105.19 110.17 1gkg n GLY 983 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1gkg n GLY 983 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gkg s SER 984 N 0.00 5.12 0.03 1.61 0.01 -0.31 -4.81 113.70 115.35 1gkg s SER 984 Ca 0.00 2.11 0.01 0.00 1.31 0.00 0.00 55.95 59.38 1gkg s SER 984 Cb 0.00 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 1gkg s SER 984 CO 0.00 -1.63 -0.05 -0.60 0.41 0.00 0.00 173.24 171.37 1gkg s ARG 985 N -3.85 0.40 0.00 12.44 3.52 -1.26 -1.75 118.95 128.45 1gkg s ARG 985 Ca 0.70 -0.67 0.00 0.00 -0.13 0.00 0.00 55.73 55.62 1gkg s ARG 985 Cb -0.23 -0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.10 1gkg s ARG 985 CO 0.38 -0.01 0.00 0.44 -0.81 0.00 0.00 175.30 175.31 1gkg n ILE 986 N 1.54 0.00 -3.72 4.11 -5.35 -1.00 -3.42 119.36 111.52 1gkg n ILE 986 Ca -0.23 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.13 1gkg n ILE 986 Cb 0.55 0.00 -0.12 0.00 -1.74 0.00 0.00 39.64 38.33 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 -2.10 -0.03 0.18 7.28 -4.23 -1.05 -3.30 115.64 112.39 1gkg s THR 987 Ca 0.00 0.12 0.01 0.00 -1.18 0.00 0.00 61.69 60.64 1gkg s THR 987 Cb 0.00 -0.47 -0.04 0.00 1.34 0.00 0.00 72.50 73.33 1gkg s THR 987 CO 0.00 0.05 0.34 -0.31 -0.54 0.00 0.00 174.62 174.16 1gkg s TYR 988 N 1.24 3.48 -0.28 3.99 1.51 0.77 0.29 117.35 128.35 1gkg s TYR 988 Ca -0.09 0.23 -0.15 0.00 -1.01 0.00 0.00 57.07 56.05 1gkg s TYR 988 Cb -0.09 -1.76 0.10 0.00 -0.11 0.00 0.00 41.96 40.10 1gkg s TYR 988 CO -0.10 0.44 0.72 -1.54 -1.11 0.00 0.00 175.55 173.96 1gkg s SER 989 N -3.23 -0.93 -0.29 2.29 1.04 -0.89 -4.57 113.70 107.12 1gkg s SER 989 Ca 0.37 1.44 -0.06 0.00 0.48 0.00 0.00 55.95 58.17 1gkg s SER 989 Cb -0.11 1.53 -0.16 0.00 0.10 0.00 0.00 66.02 67.38 1gkg s SER 989 CO 0.29 -0.22 3.33 0.00 0.98 0.00 0.00 173.24 177.62 1gkg n THR 991 N 2.17 0.00 -3.64 0.00 5.66 -1.26 -4.03 114.28 113.17 1gkg n THR 991 Ca 0.48 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 61.11 1gkg n THR 991 Cb 0.75 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.47 1gkg n THR 991 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1gkg s THR 992 N 0.00 5.19 -0.75 1.09 2.01 -1.26 -4.46 115.64 117.46 1gkg s THR 992 Ca 0.00 0.55 -0.04 0.00 0.31 0.00 0.00 61.69 62.50 1gkg s THR 992 Cb 0.00 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.91 1gkg s THR 992 CO 0.00 0.53 0.65 0.61 -0.69 0.00 0.00 174.62 175.72 1gkg n GLY 993 N 1.66 0.09 3.34 4.40 0.00 -1.26 -5.04 105.19 108.38 1gkg n GLY 993 Ca -0.14 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.18 -0.59 -0.20 1.61 4.02 -1.26 -4.48 115.29 111.21 1gkg s HIS 994 Ca 0.28 1.33 -0.27 0.00 1.02 0.00 0.00 55.06 57.42 1gkg s HIS 994 Cb -0.12 0.25 -0.00 0.00 -1.02 0.00 0.00 32.58 31.68 1gkg s HIS 994 CO 0.41 -0.31 0.95 0.50 1.02 0.00 0.00 174.74 177.31 1gkg s ARG 995 N 0.84 4.27 0.01 1.40 3.52 -0.82 -4.75 118.95 123.43 1gkg s ARG 995 Ca -0.05 1.21 -0.30 0.00 -0.13 0.00 0.00 55.73 56.46 1gkg s ARG 995 Cb -0.06 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 1gkg s ARG 995 CO -0.07 -0.50 1.13 -1.17 -0.81 0.00 0.00 175.30 173.88 1gkg s LEU 996 N 2.75 4.35 0.01 -0.88 0.20 -1.26 -1.22 118.68 122.63 1gkg s LEU 996 Ca 0.41 1.86 -0.01 0.00 0.69 0.00 0.00 54.13 57.09 1gkg s LEU 996 Cb -0.16 -3.57 -0.04 0.00 -0.43 0.00 0.00 46.19 41.99 1gkg s LEU 996 CO 0.09 -0.44 0.14 -0.63 -0.29 0.00 0.00 176.35 175.22 1gkg s ILE 997 N 1.32 5.07 0.00 6.68 1.09 -0.13 -4.90 121.20 130.32 1gkg s ILE 997 Ca 0.56 -0.35 0.00 0.00 -1.10 0.00 0.00 60.65 59.76 1gkg s ILE 997 Cb -0.26 -3.37 0.00 0.00 -1.06 0.00 0.00 42.46 37.77 1gkg s ILE 997 CO 0.27 0.28 0.00 0.61 -0.10 0.00 0.00 174.94 176.00 1gkg n GLY 998 N 0.88 2.03 3.19 6.18 0.00 -1.26 -1.80 105.19 114.41 1gkg n GLY 998 Ca -0.11 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 1gkg n GLY 998 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gkg s HIS 999 N 0.00 -0.51 0.08 1.61 3.76 -1.26 -5.04 115.29 113.92 1gkg s HIS 999 Ca 0.00 1.11 -0.17 0.00 -0.15 0.00 0.00 55.06 55.85 1gkg s HIS 999 Cb 0.00 0.18 -0.11 0.00 1.11 0.00 0.00 32.58 33.76 1gkg s HIS 999 CO 0.00 -0.31 1.39 0.66 -0.85 0.00 0.00 174.74 175.63 1gkg h SER 1000N 7.20 0.61 -3.60 1.40 4.64 -1.86 -3.43 113.55 118.51 1gkg h SER 1000Ca -0.37 -0.48 -0.51 0.00 -0.47 0.00 0.00 61.79 59.96 1gkg h SER 1000Cb 1.17 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1gkg h SER 1000CO 0.32 0.96 0.41 -0.94 -0.87 0.00 0.00 176.83 176.71 1gkg s SER 1001N -6.39 7.41 -0.03 4.97 1.04 -1.26 -0.17 113.70 119.27 1gkg s SER 1001Ca -0.13 1.96 -0.19 0.00 0.48 0.00 0.00 55.95 58.07 1gkg s SER 1001Cb 0.07 -2.60 0.04 0.00 0.10 0.00 0.00 66.02 63.63 1gkg s SER 1001CO 0.80 -0.10 0.42 0.00 0.98 0.00 0.00 173.24 175.34 1gkg s ALA 1002N -0.31 -1.08 -0.04 5.32 0.00 -1.21 -4.85 121.76 119.60 1gkg s ALA 1002Ca 0.47 0.64 0.01 0.00 0.00 0.00 0.00 51.96 53.09 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 -0.29 -0.06 -2.00 0.00 0.00 0.00 175.76 173.74 1gkg s GLU 1003N -1.23 0.85 -0.71 0.00 2.12 -1.26 -2.37 118.70 116.09 1gkg s GLU 1003Ca -0.12 -0.16 -0.26 0.00 0.36 0.00 0.00 54.97 54.79 1gkg s GLU 1003Cb -0.04 -0.82 -0.03 0.00 0.26 0.00 0.00 34.13 33.50 1gkg s GLU 1003CO 0.06 -0.03 1.85 0.00 -0.54 0.00 0.00 175.26 176.60 1gkg n ILE 1005N 7.36 0.00 -3.65 0.00 -5.35 -0.68 -1.85 119.36 115.19 1gkg n ILE 1005Ca 0.26 -0.79 -0.03 0.00 -0.27 0.00 0.00 62.75 61.92 1gkg n ILE 1005Cb 0.50 -1.22 -0.05 0.00 -1.74 0.00 0.00 39.64 37.13 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 -1.04 -0.13 7.28 2.96 -1.26 -2.11 118.68 124.38 1gkg s LEU 1006Ca 0.36 1.46 -0.26 0.00 -0.22 0.00 0.00 54.13 55.47 1gkg s LEU 1006Cb -0.02 2.12 -0.26 0.00 0.50 0.00 0.00 46.19 48.53 1gkg s LEU 1006CO 0.24 -0.22 0.70 0.28 -1.32 0.00 0.00 176.35 176.03 1gkg h SER 1007N 7.99 0.11 0.00 3.68 0.02 -1.94 -3.49 113.55 119.92 1gkg h SER 1007Ca -0.18 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 59.86 1gkg h SER 1007Cb 1.11 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1gkg h SER 1007CO 0.11 1.18 0.00 0.61 -1.14 0.00 0.00 176.83 177.58 1gkg n GLY 1008N 1.60 0.63 0.06 -3.77 0.00 -1.26 -5.01 105.19 97.46 1gkg n GLY 1008Ca -0.15 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1gkg n GLY 1008CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1gkg h ASN 1009N 0.00 0.02 -4.99 1.61 2.35 -2.03 -3.47 115.58 109.07 1gkg h ASN 1009Ca 0.00 -0.75 -0.11 0.00 -0.55 0.00 0.00 56.30 54.89 1gkg h ASN 1009Cb 0.00 -0.00 -0.20 0.00 0.05 0.00 0.00 38.32 38.17 1gkg h ASN 1009CO 0.00 0.76 -0.20 -0.89 -1.65 0.00 0.00 177.43 175.45 1gkg s THR 1010N -3.23 0.05 0.28 2.81 2.01 -1.26 -5.15 115.64 111.16 1gkg s THR 1010Ca -0.17 -0.40 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 1gkg s THR 1010Cb -0.01 -0.67 -0.09 0.00 0.01 0.00 0.00 72.50 71.74 1gkg s THR 1010CO 0.69 -0.22 1.07 0.00 -0.69 0.00 0.00 174.62 175.47 1gkg s ALA 1011N -1.30 3.37 -0.06 7.40 0.00 -1.26 -4.13 121.76 125.78 1gkg s ALA 1011Ca -0.13 0.84 -0.13 0.00 0.00 0.00 0.00 51.96 52.54 1gkg s ALA 1011Cb -0.04 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.80 1gkg s ALA 1011CO 0.05 -0.11 0.32 -1.01 0.00 0.00 0.00 175.76 175.01 1gkg s HIS 1012N -1.21 -0.25 0.15 0.00 3.76 -0.90 -4.13 115.29 112.71 1gkg s HIS 1012Ca 0.45 0.52 -0.30 0.00 -0.15 0.00 0.00 55.06 55.58 1gkg s HIS 1012Cb -0.30 0.11 -0.08 0.00 1.11 0.00 0.00 32.58 33.42 1gkg s HIS 1012CO 0.39 -0.30 1.27 -1.58 -0.85 0.00 0.00 174.74 173.67 1gkg s TRP 1013N -0.71 3.34 0.55 1.40 0.52 -1.26 -1.69 118.94 121.08 1gkg s TRP 1013Ca -0.08 1.23 0.29 0.00 0.02 0.00 0.00 56.10 57.56 1gkg s TRP 1013Cb -0.04 -3.54 1.46 0.00 -1.15 0.00 0.00 33.47 30.20 1gkg s TRP 1013CO 0.03 -1.69 1.92 0.66 0.02 0.00 0.00 176.95 177.89 1gkg h SER 1014N 5.96 0.00 0.00 2.95 4.64 -1.82 -3.40 113.55 121.87 1gkg h SER 1014Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1gkg h SER 1014Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1gkg h SER 1014CO 0.79 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.10 1gkg n THR 1015N -4.18 0.00 -3.56 2.95 -2.24 -1.26 -5.06 114.28 100.93 1gkg n THR 1015Ca 0.14 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.79 1gkg n THR 1015Cb 0.79 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.97 1gkg n THR 1015CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1gkg s LYS 1016N 1.73 0.69 -0.86 -0.78 -2.85 -1.26 -5.10 119.74 111.31 1gkg s LYS 1016Ca 0.00 0.16 -0.34 0.00 -1.00 0.00 0.00 55.97 54.79 1gkg s LYS 1016Cb 0.00 0.33 -0.21 0.00 -2.06 0.00 0.00 37.83 35.89 1gkg s LYS 1016CO 0.00 -0.22 2.56 -2.30 0.10 0.00 0.00 175.35 175.49 1gkg n PRO 1017N 0.75 0.04 -1.91 1.78 -0.02 -1.26 -4.56 135.00 129.83 1gkg n PRO 1017Ca -0.12 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.95 1gkg n PRO 1017Cb 0.58 -1.56 -0.02 0.00 -0.02 0.00 0.00 33.50 32.48 1gkg n PRO 1017CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1gkg s PRO 1018N 8.25 4.20 0.05 0.52 0.02 -1.26 -4.92 135.00 141.86 1gkg s PRO 1018Ca 1.31 2.43 0.00 0.00 0.02 0.00 0.00 61.00 64.76 1gkg s PRO 1018Cb -1.28 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 30.18 1gkg s PRO 1018CO 0.52 -0.51 0.08 -0.89 -0.33 0.00 0.00 177.00 175.87 1gkg n ILE 1019N 2.07 0.00 -3.30 2.83 5.41 -0.74 -4.71 119.36 120.92 1gkg n ILE 1019Ca 0.07 -0.14 -0.09 0.00 1.00 0.00 0.00 62.75 63.58 1gkg n ILE 1019Cb 0.39 -1.17 -0.06 0.00 -0.71 0.00 0.00 39.64 38.09 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 2.35 4.54 0.11 0.00 2.00 -0.35 -4.87 119.66 123.43 1gkg s GLN 1021Ca 0.11 1.22 -0.31 0.00 -2.00 0.00 0.00 55.36 54.38 1gkg s GLN 1021Cb -0.12 -3.43 -0.09 0.00 0.80 0.00 0.00 33.01 30.18 1gkg s GLN 1021CO -0.25 0.08 1.55 0.50 -0.50 0.00 0.00 175.29 176.67 1gkg s ARG 1022N 0.61 4.23 -0.35 1.67 6.06 -1.26 -1.94 118.95 127.98 1gkg s ARG 1022Ca 0.45 2.26 -0.27 0.00 -2.50 0.00 0.00 55.73 55.67 1gkg s ARG 1022Cb -0.20 -3.36 -0.04 0.00 0.06 0.00 0.00 34.95 31.41 1gkg s ARG 1022CO 0.25 -0.62 2.11 0.42 -2.50 0.00 0.00 175.30 174.97 1gkg s ILE 1023N 1.74 3.17 0.19 4.11 -1.09 -1.26 -4.92 121.20 123.14 1gkg s ILE 1023Ca 0.70 0.15 -0.30 0.00 -2.23 0.00 0.00 60.65 58.97 1gkg s ILE 1023Cb -0.40 -3.28 -0.08 0.00 -1.58 0.00 0.00 42.46 37.12 1gkg s ILE 1023CO 0.31 -0.21 1.08 -2.84 -1.23 0.00 0.00 174.94 172.04 1gkg s PRO 1024N 6.69 4.62 -0.06 2.79 0.02 -1.20 -4.12 135.00 143.75 1gkg s PRO 1024Ca 0.91 1.69 0.04 0.00 0.02 0.00 0.00 61.00 63.66 1gkg s PRO 1024Cb -0.24 -3.28 -0.00 0.00 0.02 0.00 0.00 34.50 31.00 1gkg s PRO 1024CO 0.31 0.13 -0.19 0.00 -0.33 0.00 0.00 177.00 176.93 1gkg n GLY 1026N 3.25 -0.17 3.78 0.00 0.00 -1.24 -4.12 105.19 106.69 1gkg n GLY 1026Ca -0.19 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 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 3.97 0.33 0.99 1.43 -1.26 -4.95 118.68 119.18 1gkg s LEU 1027Ca 0.00 2.06 -0.27 0.00 -1.03 0.00 0.00 54.13 54.89 1gkg s LEU 1027Cb 0.00 -4.38 -0.09 0.00 0.03 0.00 0.00 46.19 41.75 1gkg s LEU 1027CO 0.00 -0.75 1.05 -2.16 0.23 0.00 0.00 176.35 174.71 1gkg s PRO 1028N -2.89 4.46 -0.47 1.29 0.04 -1.26 -4.91 135.00 131.26 1gkg s PRO 1028Ca 0.64 1.60 -0.32 0.00 0.04 0.00 0.00 61.00 62.96 1gkg s PRO 1028Cb -0.21 -2.89 -0.12 0.00 0.04 0.00 0.00 34.50 31.32 1gkg s PRO 1028CO 0.26 0.10 2.32 -2.30 0.04 0.00 0.00 177.00 177.42 1gkg n PRO 1029N 0.62 0.94 -2.57 0.56 -0.02 -1.26 -4.88 135.00 128.40 1gkg n PRO 1029Ca 0.02 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 1gkg n PRO 1029Cb 0.48 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 1gkg n PRO 1029CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1gkg s THR 1030N 8.71 4.49 -0.00 3.45 2.01 -1.26 -4.81 115.64 128.23 1gkg s THR 1030Ca 1.11 1.79 -0.19 0.00 0.31 0.00 0.00 61.69 64.71 1gkg s THR 1030Cb -0.75 -4.15 -0.06 0.00 0.01 0.00 0.00 72.50 67.56 1gkg s THR 1030CO 0.43 0.05 0.53 0.27 -0.69 0.00 0.00 174.62 175.21 1gkg s ILE 1031N 1.77 4.93 0.28 1.82 -4.36 -1.26 -5.02 121.20 119.36 1gkg s ILE 1031Ca 0.53 1.10 -0.29 0.00 -0.26 0.00 0.00 60.65 61.73 1gkg s ILE 1031Cb -0.23 -3.86 -0.14 0.00 1.25 0.00 0.00 42.46 39.49 1gkg s ILE 1031CO 0.23 0.47 1.17 0.00 0.24 0.00 0.00 174.94 177.05 1gkg n ALA 1032N 2.42 0.31 0.00 2.27 0.00 -1.26 -1.16 120.51 123.08 1gkg n ALA 1032Ca -0.09 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1gkg n ALA 1032Cb 0.51 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 1.37 0.00 -4.73 0.00 4.13 -1.26 -4.69 115.26 110.09 1gkg n ASN 1033Ca 0.09 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.94 1gkg n ASN 1033Cb 0.32 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.53 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 2.47 0.00 7.41 0.00 -0.31 -0.97 107.32 115.92 1gkg s GLY 1034Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1gkg s GLY 1034CO 0.00 2.00 0.00 1.22 0.00 0.00 0.00 173.10 176.32 1gkg n ASP 1035N 3.12 0.00 -3.67 1.64 8.00 -1.21 -4.48 116.55 119.95 1gkg n ASP 1035Ca 0.07 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.47 1gkg n ASP 1035Cb 0.45 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.46 1gkg n ASP 1035CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1gkg s PHE 1036N 0.17 -0.78 0.00 1.24 5.36 -1.26 -3.96 117.98 118.74 1gkg s PHE 1036Ca 0.00 1.67 0.00 0.00 -0.96 0.00 0.00 56.93 57.64 1gkg s PHE 1036Cb 0.00 0.38 0.00 0.00 -0.34 0.00 0.00 43.02 43.06 1gkg s PHE 1036CO 0.00 -0.40 0.00 0.44 -1.46 0.00 0.00 175.22 173.80 1gkg n ILE 1037N 3.81 0.00 -4.09 3.12 -5.35 -0.96 -5.02 119.36 110.86 1gkg n ILE 1037Ca -0.19 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 1gkg n ILE 1037Cb 0.57 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 1gkg n ILE 1037CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1gkg n SER 1038N 0.00 -0.38 -0.14 7.28 2.88 -1.26 -3.83 113.62 118.17 1gkg n SER 1038Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1gkg n SER 1038Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1gkg n SER 1038CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1gkg h THR 1039N 0.00 1.26 -2.81 2.46 1.35 -2.00 -3.45 112.91 109.73 1gkg h THR 1039Ca 0.00 -1.05 -0.59 0.00 -0.55 0.00 0.00 66.41 64.22 1gkg h THR 1039Cb 0.00 1.14 0.11 0.00 -1.73 0.00 0.00 68.15 67.67 1gkg h THR 1039CO 0.00 0.35 0.27 0.59 -0.25 0.00 0.00 175.52 176.48 1gkg n ASN 1040N -4.42 1.83 0.00 5.36 4.13 -1.25 -4.83 115.26 116.08 1gkg n ASN 1040Ca -0.01 1.18 0.00 0.00 1.68 0.00 0.00 54.58 57.43 1gkg n ASN 1040Cb 0.30 -1.36 0.00 0.00 -1.54 0.00 0.00 39.78 37.18 1gkg n ASN 1040CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1gkg n ARG 1041N 0.63 0.00 0.00 3.52 1.74 -1.26 -4.84 116.66 116.45 1gkg n ARG 1041Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1gkg n ARG 1041Cb 0.34 -0.03 0.00 0.00 -1.02 0.00 0.00 32.46 31.74 1gkg n ARG 1041CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1gkg n GLU 1042N -2.22 0.00 -0.73 5.56 0.28 -1.26 -4.99 120.64 117.28 1gkg n GLU 1042Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.80 1gkg n GLU 1042Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1gkg n GLU 1042CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1gkg n ASN 1043N -1.77 4.77 -4.72 -1.84 3.02 -1.26 -4.91 115.26 108.55 1gkg n ASN 1043Ca 0.00 -2.29 -0.42 0.00 -0.03 0.00 0.00 54.58 51.85 1gkg n ASN 1043Cb 0.00 -1.07 -0.03 0.00 -0.61 0.00 0.00 39.78 38.07 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 3.09 3.58 0.13 3.10 0.40 -1.26 -4.90 117.98 122.11 1gkg s PHE 1044Ca 0.41 1.54 0.00 0.00 -0.60 0.00 0.00 56.93 58.28 1gkg s PHE 1044Cb 0.12 -3.26 0.00 0.00 0.51 0.00 0.00 43.02 40.39 1gkg s PHE 1044CO -0.03 -0.60 0.00 0.72 0.70 0.00 0.00 175.22 176.01 1gkg n HIS 1045N 3.34 -0.90 0.00 0.36 8.25 -1.26 -4.46 115.22 120.56 1gkg n HIS 1045Ca 0.06 0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1gkg n HIS 1045Cb 0.48 0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.89 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 -3.22 0.00 0.00 4.41 9.36 -1.26 -1.16 117.16 125.30 1gkg n TYR 1046Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1gkg n TYR 1046Cb 0.09 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.80 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 -0.46 1.92 3.56 2.98 0.00 -1.23 -4.92 105.19 107.03 1gkg n GLY 1047Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 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 0.92 1.05 -4.85 1.61 7.64 -1.26 -4.19 113.62 114.54 1gkg n SER 1048Ca 0.00 1.13 -0.33 0.00 1.01 0.00 0.00 58.87 60.69 1gkg n SER 1048Cb 0.00 -1.12 -0.06 0.00 -1.01 0.00 0.00 64.21 62.03 1gkg n SER 1048CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1gkg s VAL 1049N 0.17 5.07 -0.03 0.44 0.11 -1.26 -2.22 120.40 122.68 1gkg s VAL 1049Ca 0.83 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 59.57 1gkg s VAL 1049Cb -1.01 -3.37 0.01 0.00 -1.53 0.00 0.00 36.38 30.48 1gkg s VAL 1049CO 0.51 0.31 -0.07 0.54 -3.33 0.00 0.00 175.10 173.05 1gkg s VAL 1050N -1.29 0.66 -0.25 2.04 0.11 -0.69 -3.86 120.40 117.11 1gkg s VAL 1050Ca 0.26 -0.28 -0.12 0.00 -2.93 0.00 0.00 61.98 58.91 1gkg s VAL 1050Cb -0.12 -0.60 -0.05 0.00 -1.53 0.00 0.00 36.38 34.08 1gkg s VAL 1050CO 0.18 0.22 0.23 -0.89 -3.33 0.00 0.00 175.10 171.51 1gkg s THR 1051N 0.30 5.29 0.65 5.04 2.01 -1.25 -2.22 115.64 125.46 1gkg s THR 1051Ca -0.04 0.30 -0.06 0.00 0.31 0.00 0.00 61.69 62.20 1gkg s THR 1051Cb -0.09 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.88 1gkg s THR 1051CO 0.00 0.27 0.96 -0.31 -0.69 0.00 0.00 174.62 174.85 1gkg s TYR 1052N 1.49 3.10 0.00 4.92 1.51 -0.76 -2.27 117.35 125.33 1gkg s TYR 1052Ca 0.10 0.57 0.00 0.00 -1.01 0.00 0.00 57.07 56.73 1gkg s TYR 1052Cb -0.15 -2.96 0.00 0.00 -0.11 0.00 0.00 41.96 38.75 1gkg s TYR 1052CO 0.08 -1.10 0.00 0.54 -1.11 0.00 0.00 175.55 173.96 1gkg n ARG 1053N -2.75 0.00 -3.48 -0.62 1.74 -1.25 -4.89 116.66 105.40 1gkg n ARG 1053Ca 0.06 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.03 1gkg n ARG 1053Cb 0.59 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.00 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 -0.05 0.03 -2.71 0.00 3.02 -0.15 -4.72 115.26 110.70 1gkg n ASN 1055Ca -0.13 0.64 -0.03 0.00 -0.03 0.00 0.00 54.58 55.02 1gkg n ASN 1055Cb 0.62 -1.36 0.11 0.00 -0.61 0.00 0.00 39.78 38.54 1gkg n ASN 1055CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1gkg n LEU 1056N -1.38 -0.82 0.00 3.41 4.77 -1.26 -4.59 117.00 117.13 1gkg n LEU 1056Ca 0.12 -3.28 0.00 0.00 -0.03 0.00 0.00 56.01 52.82 1gkg n LEU 1056Cb 0.50 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1gkg n LEU 1056CO 0.49 1.63 0.00 0.61 -1.33 0.00 0.00 177.39 178.79 1gkg n GLY 1057N -1.04 0.95 0.00 -0.72 0.00 -1.26 -2.29 105.19 100.83 1gkg n GLY 1057Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1gkg n GLY 1057CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1gkg n SER 1058N 2.46 0.00 -2.77 1.61 2.88 -1.26 -5.02 113.62 111.52 1gkg n SER 1058Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1gkg n SER 1058Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 1gkg n SER 1058CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1gkg n ARG 1059N 0.00 1.09 -0.77 -1.46 1.74 -1.06 -5.11 116.66 111.09 1gkg n ARG 1059Ca 0.00 -2.22 0.00 0.00 -0.77 0.00 0.00 57.85 54.86 1gkg n ARG 1059Cb 0.00 -0.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 1gkg n ARG 1059CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gkg n GLY 1060N -0.03 -4.04 3.64 -0.13 0.00 -0.97 -5.10 105.19 98.57 1gkg n GLY 1060Ca 0.06 -0.74 -0.03 0.00 0.00 0.00 0.00 46.02 45.31 1gkg n GLY 1060CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1gkg s ARG 1061N -3.16 0.09 -1.10 1.61 3.52 -1.22 -4.84 118.95 113.85 1gkg s ARG 1061Ca 0.00 0.05 -0.25 0.00 -0.13 0.00 0.00 55.73 55.41 1gkg s ARG 1061Cb 0.00 0.04 -0.15 0.00 -1.56 0.00 0.00 34.95 33.28 1gkg s ARG 1061CO 0.00 -0.02 2.04 0.21 -0.81 0.00 0.00 175.30 176.72 1gkg s LYS 1062N -0.58 1.87 -0.40 5.12 2.20 -1.26 -4.67 119.74 122.02 1gkg s LYS 1062Ca 0.08 -0.71 0.05 0.00 -0.36 0.00 0.00 55.97 55.03 1gkg s LYS 1062Cb -0.03 -5.09 0.17 0.00 -1.51 0.00 0.00 37.83 31.37 1gkg s LYS 1062CO -0.11 -4.65 0.47 0.14 -0.36 0.00 0.00 175.35 170.84 1gkg s VAL 1063N 13.84 -0.53 0.27 4.02 -7.23 -1.26 -5.10 120.40 124.40 1gkg s VAL 1063Ca 0.75 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 60.12 1gkg s VAL 1063Cb -0.04 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.44 1gkg s VAL 1063CO 0.14 -0.42 0.00 0.49 -0.31 0.00 0.00 175.10 175.01 1gkg n PHE 1064N 4.11 -2.19 -3.86 2.82 3.01 -1.26 -4.42 117.46 115.66 1gkg n PHE 1064Ca 0.13 1.17 -0.12 0.00 1.01 0.00 0.00 57.45 59.64 1gkg n PHE 1064Cb 0.49 -2.22 -0.13 0.00 -0.01 0.00 0.00 39.48 37.61 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 -4.84 0.17 0.27 -1.08 2.02 -1.26 -4.72 118.70 109.26 1gkg s GLU 1065Ca 0.00 -0.03 -0.29 0.00 0.02 0.00 0.00 54.97 54.67 1gkg s GLU 1065Cb 0.00 0.07 -0.10 0.00 0.10 0.00 0.00 34.13 34.21 1gkg s GLU 1065CO 0.00 -0.03 1.29 -1.17 0.02 0.00 0.00 175.26 175.38 1gkg s LEU 1066N -0.30 4.44 -0.03 1.80 0.20 -1.26 -0.30 118.68 123.23 1gkg s LEU 1066Ca -0.04 2.54 -0.00 0.00 0.69 0.00 0.00 54.13 57.32 1gkg s LEU 1066Cb -0.03 -3.63 0.03 0.00 -0.43 0.00 0.00 46.19 42.13 1gkg s LEU 1066CO 0.00 -0.50 0.03 0.54 -0.29 0.00 0.00 176.35 176.14 1gkg s VAL 1067N -0.63 -0.02 0.04 1.68 0.11 0.07 -4.92 120.40 116.73 1gkg s VAL 1067Ca 0.52 0.24 0.00 0.00 -2.93 0.00 0.00 61.98 59.81 1gkg s VAL 1067Cb -0.38 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.33 1gkg s VAL 1067CO 0.46 0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.96 1gkg n GLY 1068N 4.46 -3.16 4.04 6.54 0.00 -1.26 -2.41 105.19 113.40 1gkg n GLY 1068Ca -0.22 -1.10 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 1gkg n GLY 1068CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1gkg n GLU 1069N -0.91 -0.37 0.00 1.61 2.13 -1.26 -3.24 120.64 118.59 1gkg n GLU 1069Ca 0.00 -0.03 0.01 0.00 0.66 0.00 0.00 57.16 57.79 1gkg n GLU 1069Cb 0.00 -1.97 0.05 0.00 0.27 0.00 0.00 31.44 29.79 1gkg n GLU 1069CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1gkg n PRO 1070N -4.40 0.16 -3.63 5.31 -0.04 -1.26 -4.29 135.00 126.85 1gkg n PRO 1070Ca -0.11 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.20 1gkg n PRO 1070Cb 0.48 -1.17 -0.07 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.89 -0.52 0.34 3.54 1.04 -1.26 -1.83 113.70 113.11 1gkg s SER 1071Ca 0.03 0.68 0.05 0.00 0.48 0.00 0.00 55.95 57.19 1gkg s SER 1071Cb 0.01 0.67 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 1gkg s SER 1071CO 0.02 -0.45 0.34 0.27 0.98 0.00 0.00 173.24 174.40 1gkg s ILE 1072N -0.79 0.00 0.05 -1.02 -4.36 -0.94 -5.01 121.20 109.12 1gkg s ILE 1072Ca -0.09 -1.89 -0.27 0.00 -0.26 0.00 0.00 60.65 58.14 1gkg s ILE 1072Cb -0.03 -2.55 0.07 0.00 1.25 0.00 0.00 42.46 41.20 1gkg s ILE 1072CO 0.06 0.00 0.64 -0.72 0.24 0.00 0.00 174.94 175.16 1gkg s TYR 1073N -3.27 -0.60 0.52 1.37 -0.85 -1.26 -1.71 117.35 111.55 1gkg s TYR 1073Ca 0.38 0.75 -0.22 0.00 -0.52 0.00 0.00 57.07 57.46 1gkg s TYR 1073Cb 0.01 0.48 -0.05 0.00 0.38 0.00 0.00 41.96 42.78 1gkg s TYR 1073CO 0.27 -0.72 1.32 0.00 -1.52 0.00 0.00 175.55 174.90 1gkg n THR 1075N -0.88 0.00 -3.73 0.00 5.66 -1.12 -3.54 114.28 110.68 1gkg n THR 1075Ca 0.09 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.96 1gkg n THR 1075Cb 0.45 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.14 1gkg n THR 1075CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1gkg s SER 1076N 1.79 -0.38 0.00 1.09 1.04 -1.24 -3.72 113.70 112.28 1gkg s SER 1076Ca 0.00 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.05 1gkg s SER 1076Cb 0.00 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1gkg s SER 1076CO 0.00 -0.26 0.73 -0.46 0.98 0.00 0.00 173.24 174.23 1gkg n ASN 1077N 2.30 -0.70 0.00 7.02 2.04 -1.26 -4.99 115.26 119.68 1gkg n ASN 1077Ca -0.16 -1.46 0.00 0.00 -0.44 0.00 0.00 54.58 52.53 1gkg n ASN 1077Cb 0.57 0.21 0.00 0.00 -2.53 0.00 0.00 39.78 38.03 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 0.00 0.53 2.03 -1.26 -5.09 116.55 112.76 1gkg n ASP 1078Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 1gkg n ASP 1078Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 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 0.00 1.67 9.92 -1.26 -4.63 116.55 122.25 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 1.67 0.13 0.00 0.00 177.20 179.00 1gkg n GLN 1080N 13.67 3.33 0.00 -1.24 7.27 -1.26 -4.45 117.38 134.70 1gkg n GLN 1080Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1gkg n GLN 1080Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1gkg n VAL 1081N 0.00 0.00 -2.51 1.69 0.31 -1.26 -4.43 118.33 112.13 1gkg n VAL 1081Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1gkg n VAL 1081Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 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 -0.59 3.74 2.92 0.00 -0.94 -3.93 105.19 106.40 1gkg n GLY 1082Ca 0.00 0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.13 4.53 0.00 -0.61 1.09 -1.24 -3.68 121.20 118.15 1gkg s ILE 1083Ca 0.15 1.90 0.00 0.00 -1.10 0.00 0.00 60.65 61.60 1gkg s ILE 1083Cb -0.02 -4.24 0.00 0.00 -1.06 0.00 0.00 42.46 37.14 1gkg s ILE 1083CO 0.45 0.37 0.00 0.79 -0.10 0.00 0.00 174.94 176.45 1gkg n TRP 1084N 2.58 -0.44 -0.03 3.97 7.02 -1.26 -2.78 117.44 126.50 1gkg n TRP 1084Ca -0.00 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.47 1gkg n TRP 1084Cb 0.49 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.38 1gkg n TRP 1084CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1gkg h SER 1085N -0.02 0.00 0.00 -0.99 4.64 -1.92 -3.44 113.55 111.82 1gkg h SER 1085Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gkg h SER 1085Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1gkg h SER 1085CO 0.00 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.84 1gkg n GLY 1086N 1.86 1.32 2.17 -0.77 0.00 -1.26 -5.03 105.19 103.47 1gkg n GLY 1086Ca -0.01 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.07 2.13 -0.22 1.61 -0.04 -1.26 -4.62 135.00 132.53 1gkg n PRO 1087Ca 0.00 -1.46 -0.08 0.00 -0.04 0.00 0.00 63.50 61.92 1gkg n PRO 1087Cb 0.00 -2.04 0.03 0.00 -0.04 0.00 0.00 33.50 31.45 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 2.98 0.81 -1.54 0.55 0.00 -1.89 -3.45 119.26 116.71 1gkg h ALA 1088Ca 0.26 -0.22 -0.65 0.00 0.00 0.00 0.00 54.91 54.30 1gkg h ALA 1088Cb 1.24 -0.24 0.10 0.00 0.00 0.00 0.00 17.79 18.89 1gkg h ALA 1088CO 0.45 0.50 -0.04 -2.30 0.00 0.00 0.00 179.25 177.86 1gkg n PRO 1089N -4.36 0.79 -3.75 0.00 -0.02 -1.20 -4.86 135.00 121.61 1gkg n PRO 1089Ca 0.04 0.28 -0.13 0.00 -2.02 0.00 0.00 63.50 61.66 1gkg n PRO 1089Cb 0.23 -1.58 -0.10 0.00 -0.02 0.00 0.00 33.50 32.03 1gkg n PRO 1089CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1gkg s GLN 1090N -0.95 0.51 0.10 -0.52 0.74 -1.01 -4.89 119.66 113.64 1gkg s GLN 1090Ca 0.67 0.31 -0.25 0.00 0.05 0.00 0.00 55.36 56.13 1gkg s GLN 1090Cb -0.85 0.24 -0.07 0.00 1.10 0.00 0.00 33.01 33.43 1gkg s GLN 1090CO 0.56 -0.10 0.78 0.00 -0.55 0.00 0.00 175.29 175.98