#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkg h ALA 958 N 0.00 0.63 -1.39 0.62 0.00 -2.07 -3.45 119.26 113.60 1gkg h ALA 958 Ca 0.00 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 54.99 1gkg h ALA 958 Cb 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 17.79 17.30 1gkg h ALA 958 CO 0.00 0.11 0.51 -2.00 0.00 0.00 0.00 179.25 177.87 1gkg s GLU 959 N -6.01 0.28 -0.59 0.00 2.56 -1.26 -5.10 118.70 108.58 1gkg s GLU 959 Ca -0.13 0.47 -0.26 0.00 0.00 0.00 0.00 54.97 55.05 1gkg s GLU 959 Cb 0.12 0.07 -0.04 0.00 2.00 0.00 0.00 34.13 36.28 1gkg s GLU 959 CO 0.75 -0.06 2.02 0.00 -0.56 0.00 0.00 175.26 177.41 1gkg s ALA 960 N 1.13 1.98 0.00 6.30 0.00 -1.26 -4.95 121.76 124.95 1gkg s ALA 960 Ca -0.07 -0.50 -0.25 0.00 0.00 0.00 0.00 51.96 51.13 1gkg s ALA 960 Cb -0.03 -4.33 -0.05 0.00 0.00 0.00 0.00 23.12 18.71 1gkg s ALA 960 CO -0.13 -4.13 0.76 0.21 0.00 0.00 0.00 175.76 172.48 1gkg s LYS 961 N 7.41 4.48 0.05 0.00 2.47 -1.26 -4.61 119.74 128.28 1gkg s LYS 961 Ca 0.76 1.04 -0.28 0.00 -1.56 0.00 0.00 55.97 55.93 1gkg s LYS 961 Cb -0.14 -3.40 -0.05 0.00 -1.46 0.00 0.00 37.83 32.79 1gkg s LYS 961 CO 0.21 0.18 0.88 -1.54 0.16 0.00 0.00 175.35 175.24 1gkg s SER 962 N 0.33 7.34 -0.02 1.43 1.04 -1.26 -0.38 113.70 122.18 1gkg s SER 962 Ca 0.39 1.61 0.00 0.00 0.48 0.00 0.00 55.95 58.43 1gkg s SER 962 Cb -0.20 -2.53 0.01 0.00 0.10 0.00 0.00 66.02 63.41 1gkg s SER 962 CO 0.22 -0.08 1.64 0.00 0.98 0.00 0.00 173.24 175.99 1gkg n LYS 964 N 1.07 -4.43 -2.19 0.00 3.00 -1.26 -4.57 118.16 109.78 1gkg n LYS 964 Ca 0.02 3.23 -0.43 0.00 -0.00 0.00 0.00 58.31 61.13 1gkg n LYS 964 Cb 0.51 -3.58 -0.02 0.00 0.00 0.00 0.00 35.03 31.94 1gkg n LYS 964 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1gkg s THR 965 N -2.31 3.84 -0.12 3.15 2.01 -1.26 -4.97 115.64 115.97 1gkg s THR 965 Ca 0.00 0.97 -0.29 0.00 0.31 0.00 0.00 61.69 62.68 1gkg s THR 965 Cb 0.00 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1gkg s THR 965 CO 0.00 -0.24 1.36 -2.16 -0.69 0.00 0.00 174.62 172.89 1gkg s PRO 966 N 4.25 4.23 0.02 4.92 0.04 -1.26 -4.95 135.00 142.25 1gkg s PRO 966 Ca 0.67 1.81 -0.25 0.00 0.04 0.00 0.00 61.00 63.27 1gkg s PRO 966 Cb -0.25 -3.79 -0.14 0.00 0.04 0.00 0.00 34.50 30.36 1gkg s PRO 966 CO 0.26 -0.72 1.17 -1.35 0.04 0.00 0.00 177.00 176.40 1gkg h PRO 967 N 8.45 -0.85 0.00 0.56 0.11 -1.99 -3.46 132.00 134.81 1gkg h PRO 967 Ca -0.31 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1gkg h PRO 967 Cb 1.13 0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1gkg h PRO 967 CO 0.96 -0.57 0.00 -3.47 -0.21 0.00 0.00 178.00 174.71 1gkg n ASP 968 N -4.82 0.00 -3.47 -2.05 -0.08 -1.26 -4.76 116.55 100.10 1gkg n ASP 968 Ca -0.11 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 52.95 1gkg n ASP 968 Cb 0.35 0.00 0.21 0.00 2.34 0.00 0.00 41.12 44.01 1gkg n ASP 968 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1gkg n PRO 969 N 0.00 -3.29 -1.53 -0.67 -0.02 -1.10 -4.59 135.00 123.81 1gkg n PRO 969 Ca 0.00 -0.97 -0.18 0.00 -2.02 0.00 0.00 63.50 60.33 1gkg n PRO 969 Cb 0.00 -1.66 -0.16 0.00 -0.02 0.00 0.00 33.50 31.67 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 -4.96 -0.00 0.00 -1.45 0.31 -1.25 -2.35 118.33 108.63 1gkg n VAL 970 Ca 0.09 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1gkg n VAL 970 Cb 0.44 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 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 11.45 0.00 -4.63 4.52 3.02 -1.26 -0.48 115.26 127.89 1gkg n ASN 971 Ca 0.59 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.71 1gkg n ASN 971 Cb 0.27 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 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 -0.37 1.14 -0.14 7.41 0.00 -0.99 -2.36 107.32 112.00 1gkg s GLY 972 Ca 0.00 0.50 -0.29 0.00 0.00 0.00 0.00 44.72 44.93 1gkg s GLY 972 CO 0.00 3.10 0.98 1.06 0.00 0.00 0.00 173.10 178.24 1gkg s MET 973 N 4.88 4.37 0.00 2.90 -1.94 -1.26 -2.70 119.30 125.55 1gkg s MET 973 Ca 0.75 1.31 -0.16 0.00 -1.71 0.00 0.00 55.69 55.88 1gkg s MET 973 Cb -0.26 -3.57 -0.06 0.00 2.01 0.00 0.00 34.83 32.96 1gkg s MET 973 CO 0.31 -0.38 0.45 0.54 -0.01 0.00 0.00 175.02 175.93 1gkg s VAL 974 N 2.26 4.99 -0.26 -6.03 0.11 -1.26 -0.78 120.40 119.44 1gkg s VAL 974 Ca 0.46 0.92 0.02 0.00 -2.93 0.00 0.00 61.98 60.45 1gkg s VAL 974 Cb -0.17 -3.76 0.06 0.00 -1.53 0.00 0.00 36.38 30.98 1gkg s VAL 974 CO 0.15 0.55 -0.07 -1.00 -3.33 0.00 0.00 175.10 171.39 1gkg s HIS 975 N -0.89 2.91 -0.62 1.54 3.76 -0.26 -4.96 115.29 116.77 1gkg s HIS 975 Ca 0.25 -2.13 -0.26 0.00 -0.15 0.00 0.00 55.06 52.77 1gkg s HIS 975 Cb -0.17 -1.86 -0.05 0.00 1.11 0.00 0.00 32.58 31.62 1gkg s HIS 975 CO 0.14 -0.84 2.06 0.08 -0.85 0.00 0.00 174.74 175.33 1gkg s VAL 976 N 1.22 3.24 0.00 -0.90 1.01 -1.26 -2.33 120.40 121.38 1gkg s VAL 976 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1gkg s VAL 976 Cb -0.19 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1gkg s VAL 976 CO -0.06 -0.60 0.00 -0.38 0.00 0.00 0.00 175.10 174.06 1gkg n ILE 977 N 7.61 0.00 0.23 2.22 2.08 -1.26 -4.75 119.36 125.49 1gkg n ILE 977 Ca 0.29 0.07 -0.12 0.00 0.56 0.00 0.00 62.75 63.56 1gkg n ILE 977 Cb 0.52 -0.31 -0.06 0.00 -0.75 0.00 0.00 39.64 39.03 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 0.22 0.00 1.39 1.35 -1.90 -3.50 112.91 110.47 1gkg h THR 978 Ca 0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1gkg h THR 978 Cb 0.00 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 66.75 1gkg h THR 978 CO 0.00 0.04 0.00 0.47 -0.25 0.00 0.00 175.52 175.78 1gkg n ASP 979 N -5.21 1.16 0.00 5.36 8.00 -1.26 -5.03 116.55 119.57 1gkg n ASP 979 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1gkg n ASP 979 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1gkg n ASP 979 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1gkg n ILE 980 N 0.00 0.00 -1.40 0.53 -5.35 -1.26 -4.57 119.36 107.32 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 0.07 0.22 0.00 -1.74 0.00 0.00 39.64 38.19 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 -0.45 0.36 6.28 -0.21 -1.26 -2.17 119.66 122.21 1gkg s GLN 981 Ca 0.00 -0.16 -0.24 0.00 0.02 0.00 0.00 55.36 54.98 1gkg s GLN 981 Cb 0.00 -1.70 -0.14 0.00 1.00 0.00 0.00 33.01 32.17 1gkg s GLN 981 CO 0.00 -3.18 0.50 0.28 -2.12 0.00 0.00 175.29 170.77 1gkg n VAL 982 N -4.36 1.60 0.00 1.09 0.31 0.49 -1.28 118.33 116.18 1gkg n VAL 982 Ca 0.13 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1gkg n VAL 982 Cb 0.59 -0.38 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 1.88 1.09 3.77 2.92 0.00 -0.88 -4.92 105.19 109.04 1gkg n GLY 983 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 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 5.83 -0.03 1.61 0.01 -0.41 -4.76 113.70 115.95 1gkg s SER 984 Ca 0.00 2.30 -0.00 0.00 1.31 0.00 0.00 55.95 59.56 1gkg s SER 984 Cb 0.00 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.66 1gkg s SER 984 CO 0.00 -1.15 0.02 -0.60 0.41 0.00 0.00 173.24 171.91 1gkg s ARG 985 N -3.00 0.19 0.43 12.44 3.00 -1.26 -1.66 118.95 129.09 1gkg s ARG 985 Ca 0.69 0.15 0.04 0.00 -1.00 0.00 0.00 55.73 55.61 1gkg s ARG 985 Cb -0.28 -0.47 0.08 0.00 0.00 0.00 0.00 34.95 34.27 1gkg s ARG 985 CO 0.33 -0.19 0.59 0.44 0.00 0.00 0.00 175.30 176.47 1gkg n ILE 986 N 4.40 0.00 -3.70 4.11 -5.35 -0.67 -3.91 119.36 114.25 1gkg n ILE 986 Ca -0.22 -1.19 -0.11 0.00 -0.27 0.00 0.00 62.75 60.96 1gkg n ILE 986 Cb 0.50 -0.83 -0.11 0.00 -1.74 0.00 0.00 39.64 37.46 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 -1.62 -0.14 0.59 7.28 -4.23 -0.99 -2.70 115.64 113.83 1gkg s THR 987 Ca 0.42 0.13 -0.07 0.00 -1.18 0.00 0.00 61.69 60.99 1gkg s THR 987 Cb -0.03 -0.55 0.13 0.00 1.34 0.00 0.00 72.50 73.39 1gkg s THR 987 CO 0.27 0.05 0.80 -1.22 -0.54 0.00 0.00 174.62 173.99 1gkg n TYR 988 N 4.48 -3.62 0.00 3.99 4.02 0.12 -1.10 117.16 125.06 1gkg n TYR 988 Ca -0.21 -0.96 0.00 0.00 -0.01 0.00 0.00 57.90 56.73 1gkg n TYR 988 Cb 0.54 -0.61 0.00 0.00 -0.02 0.00 0.00 39.34 39.25 1gkg n TYR 988 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1gkg n SER 989 N -3.31 0.00 -0.86 7.72 7.64 0.04 -4.76 113.62 120.09 1gkg n SER 989 Ca 0.11 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.10 1gkg n SER 989 Cb 0.39 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.55 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 -3.53 0.00 -3.15 0.00 -2.24 -1.00 -4.57 114.28 99.79 1gkg n THR 991 Ca -0.03 -0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.36 1gkg n THR 991 Cb 0.41 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.53 1gkg n THR 991 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1gkg s THR 992 N -1.04 5.10 -0.53 4.28 2.01 -1.26 -4.09 115.64 120.11 1gkg s THR 992 Ca 0.03 1.24 -0.03 0.00 0.31 0.00 0.00 61.69 63.23 1gkg s THR 992 Cb -0.00 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.56 1gkg s THR 992 CO 0.02 0.27 0.44 0.61 -0.69 0.00 0.00 174.62 175.27 1gkg n GLY 993 N 3.21 0.36 3.09 4.40 0.00 -1.26 -5.05 105.19 109.94 1gkg n GLY 993 Ca -0.03 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.09 -0.32 -0.36 1.61 4.02 -1.26 -4.82 115.29 111.06 1gkg s HIS 994 Ca 0.22 0.77 -0.15 0.00 1.02 0.00 0.00 55.06 56.92 1gkg s HIS 994 Cb -0.10 0.07 -0.00 0.00 -1.02 0.00 0.00 32.58 31.53 1gkg s HIS 994 CO 0.27 -0.21 0.31 0.50 1.02 0.00 0.00 174.74 176.64 1gkg s ARG 995 N 0.90 3.37 0.23 1.40 3.52 -0.71 -4.73 118.95 122.93 1gkg s ARG 995 Ca -0.06 -0.65 -0.30 0.00 -0.13 0.00 0.00 55.73 54.59 1gkg s ARG 995 Cb -0.07 -3.86 -0.09 0.00 -1.56 0.00 0.00 34.95 29.37 1gkg s ARG 995 CO -0.06 -0.57 1.06 -0.48 -0.81 0.00 0.00 175.30 174.44 1gkg s LEU 996 N 1.86 4.55 0.20 -0.88 0.05 -1.26 -0.31 118.68 122.89 1gkg s LEU 996 Ca 0.08 2.12 -0.03 0.00 0.05 0.00 0.00 54.13 56.36 1gkg s LEU 996 Cb -0.17 -3.61 -0.05 0.00 -2.05 0.00 0.00 46.19 40.30 1gkg s LEU 996 CO 0.11 -0.10 0.42 -0.63 -0.55 0.00 0.00 176.35 175.60 1gkg s ILE 997 N -0.81 5.16 0.00 1.48 1.09 0.91 -4.35 121.20 124.68 1gkg s ILE 997 Ca 0.45 -0.17 0.00 0.00 -1.10 0.00 0.00 60.65 59.84 1gkg s ILE 997 Cb -0.29 -3.70 0.00 0.00 -1.06 0.00 0.00 42.46 37.41 1gkg s ILE 997 CO 0.37 -0.14 0.00 0.61 -0.10 0.00 0.00 174.94 175.68 1gkg n GLY 998 N -0.48 0.44 1.25 6.18 0.00 -1.26 -2.38 105.19 108.94 1gkg n GLY 998 Ca -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.23 -3.46 -1.30 1.61 8.25 -1.26 -4.63 115.22 111.20 1gkg n HIS 999 Ca 0.00 1.85 -0.21 0.00 -0.26 0.00 0.00 57.72 59.09 1gkg n HIS 999 Cb 0.16 -2.98 -0.10 0.00 1.12 0.00 0.00 29.99 28.19 1gkg n HIS 999 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1gkg n SER 1000N -1.07 6.03 -3.67 0.41 3.41 -1.26 -4.84 113.62 112.63 1gkg n SER 1000Ca 0.00 -2.91 -0.08 0.00 -0.26 0.00 0.00 58.87 55.62 1gkg n SER 1000Cb 0.04 -1.31 -0.02 0.00 -0.26 0.00 0.00 64.21 62.66 1gkg n SER 1000CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1gkg s SER 1001N 1.04 -0.35 -0.29 4.04 0.15 -1.26 0.13 113.70 117.16 1gkg s SER 1001Ca 0.62 -0.33 -0.16 0.00 0.70 0.00 0.00 55.95 56.78 1gkg s SER 1001Cb 0.35 0.62 0.12 0.00 -1.71 0.00 0.00 66.02 65.40 1gkg s SER 1001CO -0.13 -1.09 0.85 0.00 1.20 0.00 0.00 173.24 174.07 1gkg s ALA 1002N -3.68 -2.11 -0.22 5.45 0.00 -1.10 -4.75 121.76 115.34 1gkg s ALA 1002Ca 0.08 2.30 -0.07 0.00 0.00 0.00 0.00 51.96 54.26 1gkg s ALA 1002Cb -0.03 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 1gkg s ALA 1002CO -0.01 -0.39 0.07 -2.00 0.00 0.00 0.00 175.76 173.43 1gkg s GLU 1003N 1.53 3.80 -0.08 0.00 2.12 -1.26 -1.67 118.70 123.14 1gkg s GLU 1003Ca -0.09 -0.42 -0.30 0.00 0.36 0.00 0.00 54.97 54.52 1gkg s GLU 1003Cb -0.04 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 1gkg s GLU 1003CO -0.17 0.02 1.25 0.00 -0.54 0.00 0.00 175.26 175.82 1gkg s ILE 1005N 2.62 0.45 -0.26 0.00 -4.36 -0.96 -2.06 121.20 116.62 1gkg s ILE 1005Ca 0.57 -1.12 -0.12 0.00 -0.26 0.00 0.00 60.65 59.72 1gkg s ILE 1005Cb -0.25 -0.62 -0.05 0.00 1.25 0.00 0.00 42.46 42.79 1gkg s ILE 1005CO 0.21 -0.46 0.23 -0.22 0.24 0.00 0.00 174.94 174.94 1gkg s LEU 1006N -1.69 4.06 -0.10 0.37 1.98 -1.26 -0.73 118.68 121.30 1gkg s LEU 1006Ca -0.09 0.11 -0.14 0.00 -2.89 0.00 0.00 54.13 51.11 1gkg s LEU 1006Cb -0.09 -2.19 -0.12 0.00 0.66 0.00 0.00 46.19 44.45 1gkg s LEU 1006CO -0.01 -0.04 0.44 0.28 -1.89 0.00 0.00 176.35 175.14 1gkg h SER 1007N 8.02 -0.05 0.00 3.68 0.02 -1.91 -3.48 113.55 119.84 1gkg h SER 1007Ca -0.35 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 60.18 1gkg h SER 1007Cb 1.18 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1gkg h SER 1007CO 0.61 0.64 0.00 0.61 -1.14 0.00 0.00 176.83 177.55 1gkg n GLY 1008N 1.48 0.00 0.00 -3.77 0.00 -1.26 -5.01 105.19 96.63 1gkg n GLY 1008Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1gkg n GLY 1008CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gkg n ASN 1009N 0.00 0.00 -3.72 1.61 4.05 -1.26 -5.14 115.26 110.79 1gkg n ASN 1009Ca 0.00 0.00 -0.14 0.00 0.45 0.00 0.00 54.58 54.89 1gkg n ASN 1009Cb 0.00 0.00 -0.08 0.00 1.23 0.00 0.00 39.78 40.93 1gkg n ASN 1009CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1gkg s THR 1010N 0.00 0.05 0.30 -0.44 2.01 -1.26 -5.15 115.64 111.15 1gkg s THR 1010Ca 0.00 -0.39 -0.28 0.00 0.31 0.00 0.00 61.69 61.32 1gkg s THR 1010Cb 0.00 -0.68 -0.09 0.00 0.01 0.00 0.00 72.50 71.74 1gkg s THR 1010CO 0.00 -0.22 1.07 0.00 -0.69 0.00 0.00 174.62 174.79 1gkg s ALA 1011N -1.29 3.33 -0.13 7.40 0.00 -1.26 -3.49 121.76 126.32 1gkg s ALA 1011Ca -0.13 0.82 -0.12 0.00 0.00 0.00 0.00 51.96 52.54 1gkg s ALA 1011Cb -0.04 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.81 1gkg s ALA 1011CO 0.05 -0.14 0.34 -1.01 0.00 0.00 0.00 175.76 175.01 1gkg s HIS 1012N -1.28 -0.37 0.03 0.00 3.76 0.09 -4.27 115.29 113.25 1gkg s HIS 1012Ca 0.47 0.90 -0.30 0.00 -0.15 0.00 0.00 55.06 55.98 1gkg s HIS 1012Cb -0.29 0.13 -0.06 0.00 1.11 0.00 0.00 32.58 33.47 1gkg s HIS 1012CO 0.37 -0.18 1.33 -1.58 -0.85 0.00 0.00 174.74 173.82 1gkg s TRP 1013N 0.15 3.10 0.55 1.40 0.52 -1.26 -2.27 118.94 121.13 1gkg s TRP 1013Ca -0.00 1.00 0.29 0.00 0.02 0.00 0.00 56.10 57.41 1gkg s TRP 1013Cb -0.02 -3.58 1.46 0.00 -1.15 0.00 0.00 33.47 30.18 1gkg s TRP 1013CO 0.01 -2.02 1.92 0.66 0.02 0.00 0.00 176.95 177.54 1gkg h SER 1014N 7.36 0.00 0.71 2.95 4.64 -1.69 0.14 113.55 127.67 1gkg h SER 1014Ca -0.39 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.79 1gkg h SER 1014Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 1gkg h SER 1014CO 0.87 0.00 -1.39 0.35 -0.87 0.00 0.00 176.83 175.79 1gkg n THR 1015N -4.14 1.08 -1.58 2.95 -2.24 -1.26 -5.02 114.28 104.07 1gkg n THR 1015Ca 0.13 -0.67 0.05 0.00 -2.27 0.00 0.00 64.05 61.29 1gkg n THR 1015Cb 0.77 -0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 68.32 1gkg n THR 1015CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1gkg n LYS 1016N -2.84 -4.02 -1.43 -0.78 2.85 0.49 -4.57 118.16 107.86 1gkg n LYS 1016Ca -0.09 3.16 -0.48 0.00 -1.05 0.00 0.00 58.31 59.86 1gkg n LYS 1016Cb 0.80 -4.09 -0.11 0.00 -0.65 0.00 0.00 35.03 30.98 1gkg n LYS 1016CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1gkg n PRO 1017N -3.11 0.40 0.00 -1.58 -0.02 -1.26 -4.92 135.00 124.51 1gkg n PRO 1017Ca -0.03 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1gkg n PRO 1017Cb 0.55 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 8.23 2.70 -1.49 0.52 -0.04 -1.26 -4.99 135.00 138.67 1gkg n PRO 1018Ca 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 1gkg n PRO 1018Cb 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.59 1gkg n PRO 1018CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1gkg n ILE 1019N 0.00 0.00 -3.32 0.52 -5.35 -1.00 -3.84 119.36 106.36 1gkg n ILE 1019Ca 0.00 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.43 1gkg n ILE 1019Cb 0.00 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 37.84 1gkg n ILE 1019CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gkg s GLN 1021N 2.65 4.62 0.00 0.00 2.00 0.57 -4.75 119.66 124.75 1gkg s GLN 1021Ca 0.14 1.58 0.10 0.00 -2.00 0.00 0.00 55.36 55.18 1gkg s GLN 1021Cb -0.15 -3.34 0.57 0.00 0.80 0.00 0.00 33.01 30.89 1gkg s GLN 1021CO -0.17 0.08 1.23 2.89 -0.50 0.00 0.00 175.29 178.82 1gkg n ARG 1022N 2.86 0.82 -3.16 1.67 1.85 -1.26 -1.74 116.66 117.70 1gkg n ARG 1022Ca 0.04 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.73 1gkg n ARG 1022Cb 0.48 -1.18 0.01 0.00 -1.05 0.00 0.00 32.46 30.72 1gkg n ARG 1022CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1gkg n ILE 1023N -0.68 -8.40 -1.64 8.89 5.41 -1.26 -4.61 119.36 117.07 1gkg n ILE 1023Ca 0.07 0.35 -0.43 0.00 1.00 0.00 0.00 62.75 63.74 1gkg n ILE 1023Cb 0.03 -5.88 -0.03 0.00 -0.71 0.00 0.00 39.64 33.05 1gkg n ILE 1023CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1gkg n PRO 1024N -0.88 2.52 -0.80 0.38 -0.02 -1.16 -4.57 135.00 130.47 1gkg n PRO 1024Ca -0.01 0.86 -0.16 0.00 -2.02 0.00 0.00 63.50 62.18 1gkg n PRO 1024Cb 0.55 -3.04 0.08 0.00 -0.02 0.00 0.00 33.50 31.06 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 -0.18 1.41 3.65 0.00 0.00 -1.26 -4.52 105.19 104.27 1gkg n GLY 1026Ca 0.34 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 3.59 0.43 0.99 1.43 -1.26 -4.36 118.68 119.51 1gkg s LEU 1027Ca 0.00 0.09 -0.25 0.00 -1.03 0.00 0.00 54.13 52.94 1gkg s LEU 1027Cb 0.00 -1.85 -0.08 0.00 0.03 0.00 0.00 46.19 44.29 1gkg s LEU 1027CO 0.00 0.31 1.33 -2.16 0.23 0.00 0.00 176.35 176.05 1gkg s PRO 1028N -0.44 3.81 -0.32 1.29 0.04 -1.26 -4.86 135.00 133.25 1gkg s PRO 1028Ca 0.08 2.20 -0.31 0.00 0.04 0.00 0.00 61.00 63.01 1gkg s PRO 1028Cb -0.12 -2.66 -0.09 0.00 0.04 0.00 0.00 34.50 31.67 1gkg s PRO 1028CO 0.02 -0.64 2.24 -2.30 0.04 0.00 0.00 177.00 176.36 1gkg n PRO 1029N -0.10 1.42 -3.33 0.56 -0.02 -1.26 -4.93 135.00 127.34 1gkg n PRO 1029Ca 0.05 0.36 -0.39 0.00 -2.02 0.00 0.00 63.50 61.50 1gkg n PRO 1029Cb 0.44 -2.86 -0.07 0.00 -0.02 0.00 0.00 33.50 30.99 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 8.24 5.16 0.13 3.45 2.01 -1.26 -4.48 115.64 128.90 1gkg s THR 1030Ca 1.06 0.79 -0.24 0.00 0.31 0.00 0.00 61.69 63.61 1gkg s THR 1030Cb -0.58 -3.77 -0.07 0.00 0.01 0.00 0.00 72.50 68.08 1gkg s THR 1030CO 0.41 0.22 0.73 -0.63 -0.69 0.00 0.00 174.62 174.66 1gkg s ILE 1031N 1.46 4.49 0.10 1.82 1.01 -1.25 -4.99 121.20 123.84 1gkg s ILE 1031Ca 0.21 1.59 -0.29 0.00 0.00 0.00 0.00 60.65 62.16 1gkg s ILE 1031Cb -0.15 -4.09 -0.12 0.00 0.01 0.00 0.00 42.46 38.11 1gkg s ILE 1031CO 0.09 0.51 1.63 0.00 0.00 0.00 0.00 174.94 177.17 1gkg h ALA 1032N 4.53 -0.61 0.17 9.38 0.00 -1.99 -3.09 119.26 127.65 1gkg h ALA 1032Ca -0.47 -0.09 -0.29 0.00 0.00 0.00 0.00 54.91 54.05 1gkg h ALA 1032Cb 1.21 0.43 0.01 0.00 0.00 0.00 0.00 17.79 19.44 1gkg h ALA 1032CO 0.66 -0.88 -1.33 -0.91 0.00 0.00 0.00 179.25 176.79 1gkg h ASN 1033N -0.61 0.55 -2.88 0.00 2.35 -1.97 -3.45 115.58 109.57 1gkg h ASN 1033Ca -0.01 -0.59 -0.56 0.00 -0.55 0.00 0.00 56.30 54.59 1gkg h ASN 1033Cb 0.56 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1gkg h ASN 1033CO -0.07 1.47 0.89 -0.83 -1.65 0.00 0.00 177.43 177.24 1gkg s GLY 1034N -4.66 1.73 0.00 2.83 0.00 -1.17 -1.56 107.32 104.49 1gkg s GLY 1034Ca -0.06 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.32 1gkg s GLY 1034CO 0.90 2.56 0.00 1.22 0.00 0.00 0.00 173.10 177.78 1gkg n ASP 1035N 6.25 0.00 -3.68 1.64 8.00 -1.26 -3.87 116.55 123.63 1gkg n ASP 1035Ca 0.14 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.51 1gkg n ASP 1035Cb 0.44 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.46 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 0.49 -0.65 -0.60 1.24 -0.71 -1.26 -4.36 117.98 112.14 1gkg s PHE 1036Ca 0.00 1.56 0.06 0.00 -1.04 0.00 0.00 56.93 57.51 1gkg s PHE 1036Cb 0.00 0.24 0.27 0.00 -1.21 0.00 0.00 43.02 42.32 1gkg s PHE 1036CO 0.00 -0.32 0.77 -0.89 -1.34 0.00 0.00 175.22 173.44 1gkg n ILE 1037N 2.93 2.15 -0.07 -4.49 5.41 0.36 -4.93 119.36 120.71 1gkg n ILE 1037Ca -0.14 -5.16 0.00 0.00 1.00 0.00 0.00 62.75 58.44 1gkg n ILE 1037Cb 0.56 -1.90 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 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 0.67 4.02 -1.84 4.38 7.64 -1.26 -4.15 113.62 123.09 1gkg n SER 1038Ca 0.29 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.97 1gkg n SER 1038Cb 0.42 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.67 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 2.51 -2.71 0.44 -1.04 -1.26 -5.03 114.28 107.19 1gkg n THR 1039Ca 0.00 -4.06 -0.43 0.00 -2.04 0.00 0.00 64.05 57.52 1gkg n THR 1039Cb 0.00 -1.02 -0.03 0.00 -1.82 0.00 0.00 70.33 67.47 1gkg n THR 1039CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1gkg s ASN 1040N -3.51 7.09 -0.35 8.00 -0.87 -1.26 -4.89 114.94 119.15 1gkg s ASN 1040Ca 0.50 1.35 0.13 0.00 -1.57 0.00 0.00 52.86 53.27 1gkg s ASN 1040Cb 0.41 -2.52 0.42 0.00 -0.02 0.00 0.00 41.25 39.53 1gkg s ASN 1040CO 0.02 -0.59 1.41 0.54 -2.57 0.00 0.00 177.10 175.92 1gkg n ARG 1041N 5.95 1.35 -1.46 -0.60 1.74 -1.26 -5.13 116.66 117.25 1gkg n ARG 1041Ca 0.10 -1.77 0.00 0.00 -0.77 0.00 0.00 57.85 55.41 1gkg n ARG 1041Cb 0.47 -0.04 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 1gkg n ARG 1041CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1gkg n GLU 1042N -1.10 -4.10 -1.96 5.56 2.13 -1.26 -4.95 120.64 114.97 1gkg n GLU 1042Ca -0.09 3.09 -0.01 0.00 0.66 0.00 0.00 57.16 60.80 1gkg n GLU 1042Cb 0.86 -3.58 0.01 0.00 0.27 0.00 0.00 31.44 29.00 1gkg n GLU 1042CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1gkg n ASN 1043N -1.36 -2.10 0.01 4.31 3.02 -1.26 -5.03 115.26 112.86 1gkg n ASN 1043Ca 0.00 -0.04 -0.07 0.00 -0.03 0.00 0.00 54.58 54.44 1gkg n ASN 1043Cb 0.12 -0.82 -0.05 0.00 -0.61 0.00 0.00 39.78 38.43 1gkg n ASN 1043CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1gkg h PHE 1044N -0.11 -0.14 0.00 3.10 -1.00 -1.93 -3.46 116.94 113.39 1gkg h PHE 1044Ca -0.04 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1gkg h PHE 1044Cb 1.02 0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.63 1gkg h PHE 1044CO 0.03 0.18 0.00 0.72 -1.61 0.00 0.00 178.31 177.63 1gkg n HIS 1045N -4.85 0.00 0.00 -0.55 8.25 -1.26 -4.69 115.22 112.12 1gkg n HIS 1045Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1gkg n HIS 1045Cb 0.19 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.30 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 0.00 0.00 -1.86 4.41 9.36 -1.26 -1.90 117.16 125.90 1gkg n TYR 1046Ca 0.00 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 1gkg n TYR 1046Cb 0.00 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.70 1gkg n TYR 1046CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1gkg n GLY 1047N -0.41 -3.60 0.00 2.98 0.00 -1.26 -5.06 105.19 97.84 1gkg n GLY 1047Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1gkg n GLY 1047CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gkg n SER 1048N 0.46 0.00 -4.08 1.61 3.41 -1.26 -4.99 113.62 108.77 1gkg n SER 1048Ca -0.10 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.41 1gkg n SER 1048Cb 0.15 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 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 -2.00 0.41 -0.07 -3.33 0.11 -1.26 -2.08 120.40 112.19 1gkg s VAL 1049Ca 0.00 -1.48 -0.03 0.00 -2.93 0.00 0.00 61.98 57.54 1gkg s VAL 1049Cb 0.00 -1.08 0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1gkg s VAL 1049CO 0.00 -0.71 0.15 0.54 -3.33 0.00 0.00 175.10 171.75 1gkg s VAL 1050N -2.69 -0.11 -0.26 2.04 0.11 -1.01 -4.23 120.40 114.25 1gkg s VAL 1050Ca -0.01 0.23 -0.08 0.00 -2.93 0.00 0.00 61.98 59.19 1gkg s VAL 1050Cb -0.01 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.55 1gkg s VAL 1050CO -0.04 0.09 0.10 -0.89 -3.33 0.00 0.00 175.10 171.03 1gkg s THR 1051N 1.47 4.59 0.32 5.04 2.01 -1.26 -2.08 115.64 125.73 1gkg s THR 1051Ca -0.06 -0.08 -0.19 0.00 0.31 0.00 0.00 61.69 61.68 1gkg s THR 1051Cb -0.12 -3.16 -0.09 0.00 0.01 0.00 0.00 72.50 69.14 1gkg s THR 1051CO -0.06 0.32 0.80 -0.31 -0.69 0.00 0.00 174.62 174.68 1gkg s TYR 1052N 1.63 3.46 0.00 4.92 1.51 0.58 -0.49 117.35 128.96 1gkg s TYR 1052Ca 0.06 1.41 0.00 0.00 -1.01 0.00 0.00 57.07 57.53 1gkg s TYR 1052Cb -0.15 -2.67 0.00 0.00 -0.11 0.00 0.00 41.96 39.03 1gkg s TYR 1052CO 0.06 0.12 0.00 -2.13 -1.11 0.00 0.00 175.55 172.49 1gkg n ARG 1053N -0.05 1.11 -0.96 -0.62 0.63 -1.26 -4.86 116.66 110.64 1gkg n ARG 1053Ca 0.03 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 57.01 1gkg n ARG 1053Cb 0.52 -0.43 -0.03 0.00 0.45 0.00 0.00 32.46 32.97 1gkg n ARG 1053CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1gkg n ASN 1055N -2.85 0.00 -0.60 0.00 3.02 -0.60 -4.67 115.26 109.56 1gkg n ASN 1055Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1gkg n ASN 1055Cb 0.37 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 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 0.00 0.00 0.00 3.41 4.77 -1.26 -4.86 117.00 119.06 1gkg n LEU 1056Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1gkg n LEU 1056Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1gkg n LEU 1056CO 0.00 -1.05 0.00 0.61 -1.33 0.00 0.00 177.39 175.62 1gkg n GLY 1057N 0.00 3.69 0.16 -0.72 0.00 -1.26 -2.50 105.19 104.56 1gkg n GLY 1057Ca 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 1gkg n GLY 1057CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1gkg h SER 1058N 0.00 -0.67 -0.36 1.61 4.64 -1.99 0.43 113.55 117.21 1gkg h SER 1058Ca 0.00 0.09 -0.22 0.00 -0.47 0.00 0.00 61.79 61.19 1gkg h SER 1058Cb 0.00 0.28 -0.11 0.00 -0.31 0.00 0.00 62.40 62.26 1gkg h SER 1058CO 0.00 -0.14 0.28 0.54 -0.87 0.00 0.00 176.83 176.64 1gkg n ARG 1059N -3.67 1.54 0.00 4.77 5.12 -1.16 -4.78 116.66 118.48 1gkg n ARG 1059Ca -0.01 -1.14 0.00 0.00 -1.93 0.00 0.00 57.85 54.77 1gkg n ARG 1059Cb 0.12 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 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 0.31 0.14 0.80 -0.13 0.00 0.15 -4.19 105.19 102.27 1gkg n GLY 1060Ca 0.22 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.77 1gkg n GLY 1060CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1gkg n ARG 1061N 0.00 0.00 -3.62 1.61 3.00 -0.88 -4.18 116.66 112.59 1gkg n ARG 1061Ca 0.00 0.37 -0.26 0.00 -0.00 0.00 0.00 57.85 57.96 1gkg n ARG 1061Cb 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 32.46 32.00 1gkg n ARG 1061CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1gkg n LYS 1062N 0.70 -2.52 -0.00 -0.14 4.81 -1.26 -4.74 118.16 115.01 1gkg n LYS 1062Ca 0.00 0.28 0.08 0.00 -0.87 0.00 0.00 58.31 57.80 1gkg n LYS 1062Cb 0.00 -4.91 -0.11 0.00 0.02 0.00 0.00 35.03 30.04 1gkg n LYS 1062CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1gkg n VAL 1063N -3.73 0.00 -3.66 3.15 0.24 -1.26 -5.00 118.33 108.07 1gkg n VAL 1063Ca 0.04 -0.19 -0.10 0.00 -2.04 0.00 0.00 64.34 62.04 1gkg n VAL 1063Cb 0.50 0.74 -0.04 0.00 -1.47 0.00 0.00 33.84 33.57 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 -2.75 -0.21 -0.05 6.34 0.08 -1.26 -4.92 117.98 115.21 1gkg s PHE 1064Ca 0.03 -0.11 -0.02 0.00 0.12 0.00 0.00 56.93 56.95 1gkg s PHE 1064Cb 0.12 0.40 0.03 0.00 -0.57 0.00 0.00 43.02 43.00 1gkg s PHE 1064CO 0.69 -0.87 0.11 -1.21 -0.10 0.00 0.00 175.22 173.84 1gkg s GLU 1065N -3.84 0.06 0.49 0.44 2.02 -1.17 -4.74 118.70 111.95 1gkg s GLU 1065Ca 0.06 0.29 -0.22 0.00 0.02 0.00 0.00 54.97 55.13 1gkg s GLU 1065Cb -0.01 -0.17 -0.07 0.00 0.10 0.00 0.00 34.13 33.99 1gkg s GLU 1065CO -0.06 -0.15 1.18 -1.17 0.02 0.00 0.00 175.26 175.08 1gkg s LEU 1066N 1.01 3.93 -0.01 1.80 2.96 -1.25 0.31 118.68 127.42 1gkg s LEU 1066Ca -0.08 2.34 0.01 0.00 -0.22 0.00 0.00 54.13 56.17 1gkg s LEU 1066Cb -0.11 -4.32 0.01 0.00 0.50 0.00 0.00 46.19 42.27 1gkg s LEU 1066CO -0.04 -1.08 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.21 1gkg s VAL 1067N -1.56 0.15 0.00 1.68 1.01 0.15 -4.89 120.40 116.93 1gkg s VAL 1067Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1gkg s VAL 1067Cb -0.29 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 35.91 1gkg s VAL 1067CO 0.35 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1gkg n GLY 1068N 3.53 -0.22 3.66 4.51 0.00 -1.26 -2.29 105.19 113.12 1gkg n GLY 1068Ca -0.19 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 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 4.22 0.32 1.61 1.03 -1.26 -4.91 118.70 119.72 1gkg s GLU 1069Ca 0.00 1.86 0.17 0.00 0.03 0.00 0.00 54.97 57.03 1gkg s GLU 1069Cb 0.00 -3.81 0.39 0.00 -0.80 0.00 0.00 34.13 29.91 1gkg s GLU 1069CO 0.00 -0.73 1.59 -1.00 -1.33 0.00 0.00 175.26 173.79 1gkg h PRO 1070N 8.58 0.00 -4.39 -4.83 0.13 -1.93 -3.34 132.00 126.22 1gkg h PRO 1070Ca -0.32 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.60 1gkg h PRO 1070Cb 1.14 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.08 1gkg h PRO 1070CO 0.96 0.45 -0.71 -1.12 -0.23 0.00 0.00 178.00 177.35 1gkg s SER 1071N -6.45 0.71 0.00 1.44 0.01 -1.26 -0.31 113.70 107.85 1gkg s SER 1071Ca 0.02 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1gkg s SER 1071Cb 0.09 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1gkg s SER 1071CO 0.72 -0.35 0.00 2.30 0.41 0.00 0.00 173.24 176.31 1gkg n ILE 1072N 0.93 0.00 -3.44 1.44 -5.35 -0.88 -4.90 119.36 107.16 1gkg n ILE 1072Ca -0.19 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.16 1gkg n ILE 1072Cb 0.57 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.44 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 -2.89 -0.56 0.06 4.28 -0.85 -1.26 -2.42 117.35 113.71 1gkg s TYR 1073Ca 0.00 0.47 -0.26 0.00 -0.52 0.00 0.00 57.07 56.76 1gkg s TYR 1073Cb 0.00 0.53 -0.17 0.00 0.38 0.00 0.00 41.96 42.71 1gkg s TYR 1073CO 0.00 -0.81 1.59 0.00 -1.52 0.00 0.00 175.55 174.81 1gkg n THR 1075N -5.14 0.00 -3.61 0.00 5.66 -1.26 -3.82 114.28 106.11 1gkg n THR 1075Ca -0.09 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.79 1gkg n THR 1075Cb 0.16 -0.03 -0.06 0.00 -1.55 0.00 0.00 70.33 68.84 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 -3.74 -0.52 0.00 1.09 1.04 -1.26 -4.65 113.70 105.66 1gkg s SER 1076Ca 0.00 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1gkg s SER 1076Cb 0.00 0.82 0.00 0.00 0.10 0.00 0.00 66.02 66.94 1gkg s SER 1076CO 0.00 -0.28 0.00 -0.46 0.98 0.00 0.00 173.24 173.48 1gkg n ASN 1077N 1.78 0.00 -1.76 7.02 2.04 -1.26 -5.07 115.26 118.01 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 0.56 0.24 0.00 0.00 -2.53 0.00 0.00 39.78 38.05 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 -1.96 0.00 0.00 0.53 2.03 -1.26 -5.09 116.55 110.79 1gkg n ASP 1078Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1gkg n ASP 1078Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.87 1.67 8.00 -1.26 -4.79 116.55 119.29 1gkg n ASP 1079Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 1gkg n ASP 1079Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 1gkg n ASP 1079CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gkg n GLN 1080N 0.00 1.11 0.03 -1.24 6.02 -1.26 -3.89 117.38 118.15 1gkg n GLN 1080Ca 0.00 -0.15 -0.19 0.00 -0.01 0.00 0.00 57.00 56.65 1gkg n GLN 1080Cb 0.00 -1.24 -0.13 0.00 1.02 0.00 0.00 30.24 29.89 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1gkg h VAL 1081N 0.11 1.46 -5.45 5.09 2.07 -1.87 -3.42 116.25 114.24 1gkg h VAL 1081Ca 0.02 -2.28 -0.18 0.00 0.82 0.00 0.00 66.70 65.09 1gkg h VAL 1081Cb 0.89 2.85 0.13 0.00 -1.52 0.00 0.00 31.29 33.65 1gkg h VAL 1081CO 0.04 0.65 -0.59 0.61 0.02 0.00 0.00 177.57 178.31 1gkg n GLY 1082N 1.32 -1.19 3.71 2.17 0.00 -1.25 -4.58 105.19 105.37 1gkg n GLY 1082Ca -0.12 0.55 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 1gkg n GLY 1082CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1gkg s ILE 1083N -3.27 4.91 0.75 -0.61 -4.36 -1.26 -4.46 121.20 112.90 1gkg s ILE 1083Ca 0.31 1.88 -0.11 0.00 -0.26 0.00 0.00 60.65 62.47 1gkg s ILE 1083Cb -0.04 -4.24 0.04 0.00 1.25 0.00 0.00 42.46 39.47 1gkg s ILE 1083CO 0.75 0.17 1.09 0.26 0.24 0.00 0.00 174.94 177.44 1gkg s TRP 1084N 1.08 3.03 0.48 1.37 0.52 -1.25 -4.60 118.94 119.58 1gkg s TRP 1084Ca 0.47 1.16 0.28 0.00 0.02 0.00 0.00 56.10 58.04 1gkg s TRP 1084Cb -0.20 -3.06 1.35 0.00 -1.15 0.00 0.00 33.47 30.42 1gkg s TRP 1084CO 0.24 -1.50 1.79 1.03 0.02 0.00 0.00 176.95 178.53 1gkg h SER 1085N -0.89 0.20 -4.11 2.95 0.87 -1.33 -3.43 113.55 107.80 1gkg h SER 1085Ca -0.46 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.18 1gkg h SER 1085Cb 1.25 0.01 -0.23 0.00 -0.44 0.00 0.00 62.40 62.99 1gkg h SER 1085CO 0.60 0.03 0.44 -0.83 -0.53 0.00 0.00 176.83 176.54 1gkg s GLY 1086N -3.94 -0.32 0.00 5.77 0.00 -1.26 -4.98 107.32 102.59 1gkg s GLY 1086Ca -0.07 2.02 -0.04 0.00 0.00 0.00 0.00 44.72 46.63 1gkg s GLY 1086CO 0.80 1.21 2.83 -1.55 0.00 0.00 0.00 173.10 176.39 1gkg n PRO 1087N 1.15 1.49 -1.53 2.90 -0.04 -1.26 -4.76 135.00 132.95 1gkg n PRO 1087Ca -0.13 -0.72 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 1gkg n PRO 1087Cb 0.57 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1gkg n PRO 1087CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gkg n ALA 1088N 2.56 -2.09 -1.00 0.55 0.00 -1.26 -4.90 120.51 114.36 1gkg n ALA 1088Ca 0.31 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.16 1gkg n ALA 1088Cb 0.69 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.08 2.64 -3.59 0.00 -0.04 -1.25 -5.01 135.00 127.67 1gkg n PRO 1089Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1gkg n PRO 1089Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 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 0.32 -0.83 0.54 -1.52 -0.97 -4.94 119.66 112.27 1gkg s GLN 1090Ca 0.00 0.93 -0.10 0.00 -1.95 0.00 0.00 55.36 54.24 1gkg s GLN 1090Cb 0.00 0.17 0.22 0.00 -0.22 0.00 0.00 33.01 33.17 1gkg s GLN 1090CO 0.00 -0.33 0.74 0.00 -0.25 0.00 0.00 175.29 175.45