#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 4.30 -1.00 4.31 0.00 -1.26 -4.86 120.51 121.99 1gkg n ALA 958 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1gkg n ALA 958 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 1.87 1.03 -1.17 0.00 -0.58 -1.26 -4.79 120.64 115.75 1gkg n GLU 959 Ca 0.12 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.59 1gkg n GLU 959 Cb 0.55 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.32 1gkg n GLU 959 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1gkg n ALA 960 N -3.00 7.03 -1.76 0.62 0.00 -1.26 -4.93 120.51 117.21 1gkg n ALA 960 Ca 0.00 -2.75 -0.39 0.00 0.00 0.00 0.00 53.44 50.30 1gkg n ALA 960 Cb 0.00 -2.89 -0.05 0.00 0.00 0.00 0.00 19.45 16.51 1gkg n ALA 960 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1gkg s LYS 961 N 1.61 4.69 -0.21 0.00 -0.14 -1.26 -5.05 119.74 119.38 1gkg s LYS 961 Ca 0.69 1.59 -0.19 0.00 -1.36 0.00 0.00 55.97 56.69 1gkg s LYS 961 Cb 0.25 -3.13 0.05 0.00 -1.68 0.00 0.00 37.83 33.32 1gkg s LYS 961 CO -0.03 0.33 0.55 -1.54 -0.76 0.00 0.00 175.35 173.90 1gkg s SER 962 N -1.15 -0.58 0.26 2.83 1.04 -1.19 -4.20 113.70 110.71 1gkg s SER 962 Ca 0.45 1.12 -0.29 0.00 0.48 0.00 0.00 55.95 57.70 1gkg s SER 962 Cb -0.27 1.13 -0.09 0.00 0.10 0.00 0.00 66.02 66.89 1gkg s SER 962 CO 0.34 -0.19 0.94 0.00 0.98 0.00 0.00 173.24 175.31 1gkg s LYS 964 N -1.35 3.05 -0.49 0.00 2.20 -1.26 -4.77 119.74 117.12 1gkg s LYS 964 Ca 0.43 1.96 -0.46 0.00 -0.36 0.00 0.00 55.97 57.53 1gkg s LYS 964 Cb -0.25 -2.06 -0.20 0.00 -1.51 0.00 0.00 37.83 33.82 1gkg s LYS 964 CO 0.30 -1.18 1.59 2.41 -0.36 0.00 0.00 175.35 178.12 1gkg n THR 965 N -1.36 0.00 -1.67 3.43 -1.04 -1.26 -4.77 114.28 107.61 1gkg n THR 965 Ca 0.12 0.00 -0.47 0.00 -2.04 0.00 0.00 64.05 61.67 1gkg n THR 965 Cb 0.48 -0.49 -0.04 0.00 -1.82 0.00 0.00 70.33 68.45 1gkg n THR 965 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1gkg n PRO 966 N 4.06 2.12 -1.67 -2.82 -0.04 -1.26 -4.85 135.00 130.54 1gkg n PRO 966 Ca 0.31 0.77 -0.49 0.00 -0.04 0.00 0.00 63.50 64.05 1gkg n PRO 966 Cb -0.06 -2.56 -0.05 0.00 -0.04 0.00 0.00 33.50 30.80 1gkg n PRO 966 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1gkg n PRO 967 N 4.30 1.87 -1.70 0.54 -0.02 -1.26 -4.81 135.00 133.91 1gkg n PRO 967 Ca 0.19 0.68 -0.55 0.00 -2.02 0.00 0.00 63.50 61.80 1gkg n PRO 967 Cb 0.29 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.26 1gkg n PRO 967 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1gkg n ASP 968 N 4.69 2.71 -4.60 2.55 9.92 -1.26 -4.84 116.55 125.72 1gkg n ASP 968 Ca 0.20 1.04 -0.44 0.00 -0.53 0.00 0.00 54.79 55.07 1gkg n ASP 968 Cb 0.25 -1.21 -0.01 0.00 -0.64 0.00 0.00 41.12 39.51 1gkg n ASP 968 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1gkg n PRO 969 N 5.78 1.40 -1.40 -0.24 -0.02 -1.26 -4.73 135.00 134.53 1gkg n PRO 969 Ca 0.25 0.49 -0.54 0.00 -2.02 0.00 0.00 63.50 61.68 1gkg n PRO 969 Cb 0.18 -1.89 -0.09 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.16 0.13 0.00 -1.45 0.31 -0.92 -1.32 118.33 115.23 1gkg n VAL 970 Ca 0.09 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1gkg n VAL 970 Cb 0.33 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 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 8.74 0.00 -3.37 4.52 3.02 -1.26 -3.91 115.26 123.00 1gkg n ASN 971 Ca 0.45 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.00 1gkg n ASN 971 Cb 0.13 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1gkg n ASN 971 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gkg n GLY 972 N 0.00 -1.28 3.55 7.41 0.00 -0.44 -4.57 105.19 109.87 1gkg n GLY 972 Ca 0.00 -1.40 -0.15 0.00 0.00 0.00 0.00 46.02 44.47 1gkg n GLY 972 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1gkg s MET 973 N 0.00 0.87 0.12 1.61 -1.94 -0.41 -4.22 119.30 115.32 1gkg s MET 973 Ca 0.00 0.70 -0.13 0.00 -1.71 0.00 0.00 55.69 54.55 1gkg s MET 973 Cb 0.00 0.42 -0.06 0.00 2.01 0.00 0.00 34.83 37.19 1gkg s MET 973 CO 0.00 -0.17 0.50 0.54 -0.01 0.00 0.00 175.02 175.88 1gkg s VAL 974 N -0.16 4.94 -0.30 -6.03 0.11 -1.26 -2.17 120.40 115.53 1gkg s VAL 974 Ca -0.04 0.72 0.00 0.00 -2.93 0.00 0.00 61.98 59.73 1gkg s VAL 974 Cb -0.03 -3.71 0.06 0.00 -1.53 0.00 0.00 36.38 31.17 1gkg s VAL 974 CO 0.04 0.28 -0.02 -1.00 -3.33 0.00 0.00 175.10 171.07 1gkg s HIS 975 N -1.42 3.35 -0.06 1.54 3.76 0.25 -5.00 115.29 117.71 1gkg s HIS 975 Ca 0.36 -2.21 -0.30 0.00 -0.15 0.00 0.00 55.06 52.76 1gkg s HIS 975 Cb -0.15 -2.24 -0.06 0.00 1.11 0.00 0.00 32.58 31.25 1gkg s HIS 975 CO 0.19 -0.86 1.69 0.08 -0.85 0.00 0.00 174.74 174.98 1gkg s VAL 976 N 1.15 3.53 0.00 -0.90 1.01 -1.26 -2.05 120.40 121.88 1gkg s VAL 976 Ca -0.04 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1gkg s VAL 976 Cb -0.20 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1gkg s VAL 976 CO -0.04 -0.07 0.00 -0.38 0.00 0.00 0.00 175.10 174.62 1gkg n ILE 977 N 5.56 0.00 0.00 2.22 5.41 -1.18 -4.89 119.36 126.48 1gkg n ILE 977 Ca 0.18 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.92 1gkg n ILE 977 Cb 0.43 -0.12 -0.00 0.00 -0.71 0.00 0.00 39.64 39.24 1gkg n ILE 977 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1gkg h THR 978 N 0.00 0.00 0.00 1.39 1.35 -1.93 -3.51 112.91 110.21 1gkg h THR 978 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 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 0.47 -0.25 0.00 0.00 175.52 175.74 1gkg n ASP 979 N -2.16 0.80 -0.81 5.36 9.92 -1.26 -5.08 116.55 123.32 1gkg n ASP 979 Ca -0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.23 1gkg n ASP 979 Cb 0.01 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.46 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 -0.08 0.53 -5.35 -1.26 -4.67 119.36 108.53 1gkg n ILE 980 Ca 0.00 -0.10 -0.10 0.00 -0.27 0.00 0.00 62.75 62.27 1gkg n ILE 980 Cb 0.00 0.36 -0.06 0.00 -1.74 0.00 0.00 39.64 38.20 1gkg n ILE 980 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1gkg h GLN 981 N 0.10 0.00 -1.33 6.28 4.20 -1.86 0.27 115.11 122.78 1gkg h GLN 981 Ca -0.26 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.58 1gkg h GLN 981 Cb 1.30 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 28.79 1gkg h GLN 981 CO -0.11 0.42 0.68 0.08 -0.67 0.00 0.00 178.83 179.24 1gkg s VAL 982 N -2.16 0.00 0.00 -0.54 1.01 -1.26 -3.14 120.40 114.30 1gkg s VAL 982 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.81 1gkg s VAL 982 Cb 0.02 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1gkg s VAL 982 CO 0.35 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1gkg n GLY 983 N 1.77 2.11 3.71 4.51 0.00 -0.22 -4.92 105.19 112.15 1gkg n GLY 983 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.92 6.78 0.23 1.61 1.04 -1.26 -4.72 113.70 116.45 1gkg s SER 984 Ca 0.00 2.35 0.01 0.00 0.48 0.00 0.00 55.95 58.79 1gkg s SER 984 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 1gkg s SER 984 CO 0.00 -0.70 0.40 -0.60 0.98 0.00 0.00 173.24 173.32 1gkg s ARG 985 N 1.35 3.49 -0.05 4.02 3.52 -1.26 -2.28 118.95 127.74 1gkg s ARG 985 Ca 0.66 -0.46 -0.03 0.00 -0.13 0.00 0.00 55.73 55.76 1gkg s ARG 985 Cb -0.37 -2.83 0.02 0.00 -1.56 0.00 0.00 34.95 30.20 1gkg s ARG 985 CO 0.30 0.38 0.12 0.96 -0.81 0.00 0.00 175.30 176.25 1gkg s ILE 986 N -1.96 -0.02 -0.17 4.11 -4.36 0.18 -3.13 121.20 115.86 1gkg s ILE 986 Ca 0.37 0.07 -0.19 0.00 -0.26 0.00 0.00 60.65 60.64 1gkg s ILE 986 Cb -0.10 -0.19 -0.03 0.00 1.25 0.00 0.00 42.46 43.38 1gkg s ILE 986 CO 0.30 0.03 0.54 0.42 0.24 0.00 0.00 174.94 176.47 1gkg s THR 987 N 0.48 5.11 0.07 8.37 -4.23 -0.87 -2.19 115.64 122.38 1gkg s THR 987 Ca -0.03 1.02 -0.06 0.00 -1.18 0.00 0.00 61.69 61.44 1gkg s THR 987 Cb -0.05 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.88 1gkg s THR 987 CO -0.02 0.22 0.32 -0.31 -0.54 0.00 0.00 174.62 174.29 1gkg s TYR 988 N 1.31 3.54 0.21 3.99 1.51 -0.83 -0.58 117.35 126.51 1gkg s TYR 988 Ca 0.26 0.58 -0.07 0.00 -1.01 0.00 0.00 57.07 56.83 1gkg s TYR 988 Cb -0.16 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.67 1gkg s TYR 988 CO 0.10 0.54 0.28 0.45 -1.11 0.00 0.00 175.55 175.81 1gkg s SER 989 N -2.02 0.05 -0.29 2.29 0.15 -0.92 -4.61 113.70 108.35 1gkg s SER 989 Ca 0.34 -1.14 0.01 0.00 0.70 0.00 0.00 55.95 55.85 1gkg s SER 989 Cb -0.13 0.47 0.18 0.00 -1.71 0.00 0.00 66.02 64.83 1gkg s SER 989 CO 0.20 -0.96 0.55 0.00 1.20 0.00 0.00 173.24 174.23 1gkg n THR 991 N 5.41 0.00 -0.01 0.00 -2.24 -1.26 -4.38 114.28 111.80 1gkg n THR 991 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1gkg n THR 991 Cb 0.51 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 1gkg n THR 991 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1gkg n THR 992 N 0.00 0.15 -2.37 4.28 5.66 -1.26 -4.81 114.28 115.93 1gkg n THR 992 Ca 0.00 -0.07 -0.28 0.00 -3.05 0.00 0.00 64.05 60.65 1gkg n THR 992 Cb 0.00 -0.70 0.01 0.00 -1.55 0.00 0.00 70.33 68.09 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 3.22 6.01 2.99 1.09 0.00 -1.26 -4.89 105.19 112.34 1gkg n GLY 993 Ca -0.04 -2.73 -0.13 0.00 0.00 0.00 0.00 46.02 43.12 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 -3.60 -0.22 -0.48 1.61 4.02 -1.26 -4.05 115.29 111.32 1gkg s HIS 994 Ca 0.49 0.58 -0.28 0.00 1.02 0.00 0.00 55.06 56.87 1gkg s HIS 994 Cb 0.41 -0.02 0.03 0.00 -1.02 0.00 0.00 32.58 31.98 1gkg s HIS 994 CO -0.19 -0.17 1.06 0.50 1.02 0.00 0.00 174.74 176.96 1gkg s ARG 995 N 1.01 3.64 -0.34 1.40 3.52 -0.87 -4.82 118.95 122.48 1gkg s ARG 995 Ca -0.08 0.39 -0.29 0.00 -0.13 0.00 0.00 55.73 55.62 1gkg s ARG 995 Cb -0.09 -3.92 0.01 0.00 -1.56 0.00 0.00 34.95 29.38 1gkg s ARG 995 CO -0.06 -1.33 1.29 -1.17 -0.81 0.00 0.00 175.30 173.22 1gkg s LEU 996 N 4.20 3.80 -0.88 -0.88 0.20 -1.26 -0.36 118.68 123.50 1gkg s LEU 996 Ca 0.43 1.05 -0.19 0.00 0.69 0.00 0.00 54.13 56.11 1gkg s LEU 996 Cb -0.08 -3.54 0.13 0.00 -0.43 0.00 0.00 46.19 42.26 1gkg s LEU 996 CO 0.30 -1.15 1.08 -0.63 -0.29 0.00 0.00 176.35 175.65 1gkg s ILE 997 N 4.53 4.74 0.00 6.68 1.09 0.48 -4.73 121.20 133.99 1gkg s ILE 997 Ca 0.55 -1.48 0.00 0.00 -1.10 0.00 0.00 60.65 58.63 1gkg s ILE 997 Cb -0.15 -4.74 0.00 0.00 -1.06 0.00 0.00 42.46 36.51 1gkg s ILE 997 CO 0.25 -1.46 0.00 0.61 -0.10 0.00 0.00 174.94 174.24 1gkg n GLY 998 N 5.40 1.37 0.00 6.18 0.00 -1.26 -1.84 105.19 115.04 1gkg n GLY 998 Ca 0.19 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 0.00 -1.44 1.61 8.25 -1.26 -5.00 115.22 117.38 1gkg n HIS 999 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 1gkg n HIS 999 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 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 0.00 -4.92 -3.59 0.41 7.64 -1.26 -4.89 113.62 107.01 1gkg n SER 1000Ca 0.00 0.39 -0.14 0.00 1.01 0.00 0.00 58.87 60.13 1gkg n SER 1000Cb 0.00 -4.17 -0.06 0.00 -1.01 0.00 0.00 64.21 58.97 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 -2.45 -0.63 -0.02 6.43 1.04 -1.26 -1.96 113.70 114.85 1gkg s SER 1001Ca 0.00 1.01 -0.29 0.00 0.48 0.00 0.00 55.95 57.15 1gkg s SER 1001Cb 0.00 0.95 0.09 0.00 0.10 0.00 0.00 66.02 67.15 1gkg s SER 1001CO 0.00 -0.36 0.76 0.00 0.98 0.00 0.00 173.24 174.62 1gkg s ALA 1002N -0.32 -1.78 -0.02 5.32 0.00 -0.93 -4.82 121.76 119.21 1gkg s ALA 1002Ca -0.03 1.15 0.02 0.00 0.00 0.00 0.00 51.96 53.09 1gkg s ALA 1002Cb -0.03 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.20 1gkg s ALA 1002CO 0.03 -0.49 -0.05 -1.83 0.00 0.00 0.00 175.76 173.42 1gkg s GLU 1003N -2.02 0.62 -0.96 0.00 1.03 -1.26 -0.65 118.70 115.46 1gkg s GLU 1003Ca -0.04 -0.16 -0.24 0.00 0.03 0.00 0.00 54.97 54.56 1gkg s GLU 1003Cb -0.00 -0.62 -0.04 0.00 -0.80 0.00 0.00 34.13 32.67 1gkg s GLU 1003CO 0.00 0.04 1.87 0.00 -1.33 0.00 0.00 175.26 175.84 1gkg n ILE 1005N 7.70 0.00 -3.65 0.00 -5.35 -0.50 -1.05 119.36 116.51 1gkg n ILE 1005Ca 0.40 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.84 1gkg n ILE 1005Cb 0.47 -1.63 -0.06 0.00 -1.74 0.00 0.00 39.64 36.68 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 -1.00 -0.08 7.28 0.20 -1.26 -0.96 118.68 122.86 1gkg s LEU 1006Ca 0.00 1.45 -0.26 0.00 0.69 0.00 0.00 54.13 56.01 1gkg s LEU 1006Cb 0.00 2.13 -0.25 0.00 -0.43 0.00 0.00 46.19 47.63 1gkg s LEU 1006CO 0.00 -0.22 0.93 -1.28 -0.29 0.00 0.00 176.35 175.49 1gkg h SER 1007N 7.84 0.18 0.00 3.68 0.87 -1.93 -3.49 113.55 120.70 1gkg h SER 1007Ca -0.20 -0.86 0.00 0.00 -1.23 0.00 0.00 61.79 59.50 1gkg h SER 1007Cb 1.12 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1gkg h SER 1007CO 0.12 1.02 0.00 0.61 -0.53 0.00 0.00 176.83 178.05 1gkg n GLY 1008N 1.29 0.12 0.08 5.77 0.00 -1.26 -5.01 105.19 106.18 1gkg n GLY 1008Ca -0.10 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 1gkg n GLY 1008CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1gkg h ASN 1009N 0.00 0.09 -5.03 1.61 -1.24 -2.02 -3.49 115.58 105.50 1gkg h ASN 1009Ca 0.00 -0.93 -0.09 0.00 0.71 0.00 0.00 56.30 55.98 1gkg h ASN 1009Cb 0.00 -0.03 -0.18 0.00 0.73 0.00 0.00 38.32 38.84 1gkg h ASN 1009CO 0.00 1.14 -0.19 -0.89 -1.29 0.00 0.00 177.43 176.20 1gkg s THR 1010N -2.28 0.06 0.30 -3.57 2.01 -1.26 -5.15 115.64 105.75 1gkg s THR 1010Ca -0.19 -0.53 -0.28 0.00 0.31 0.00 0.00 61.69 60.99 1gkg s THR 1010Cb -0.01 -0.86 -0.09 0.00 0.01 0.00 0.00 72.50 71.55 1gkg s THR 1010CO 0.71 -0.29 1.07 0.00 -0.69 0.00 0.00 174.62 175.41 1gkg s ALA 1011N -2.14 3.33 -0.07 7.40 0.00 -1.26 -3.95 121.76 125.07 1gkg s ALA 1011Ca -0.08 0.82 -0.22 0.00 0.00 0.00 0.00 51.96 52.48 1gkg s ALA 1011Cb -0.02 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.85 1gkg s ALA 1011CO -0.00 -0.12 0.51 -3.38 0.00 0.00 0.00 175.76 172.76 1gkg s HIS 1012N -1.28 -0.46 0.03 0.00 -3.43 -0.14 -4.52 115.29 105.50 1gkg s HIS 1012Ca 0.47 0.86 -0.30 0.00 -0.80 0.00 0.00 55.06 55.29 1gkg s HIS 1012Cb -0.29 0.25 -0.06 0.00 -1.43 0.00 0.00 32.58 31.05 1gkg s HIS 1012CO 0.37 -0.46 1.37 -1.58 -2.00 0.00 0.00 174.74 172.44 1gkg s TRP 1013N -0.93 3.02 0.59 0.38 0.52 -1.26 -1.41 118.94 119.85 1gkg s TRP 1013Ca -0.10 0.91 0.29 0.00 0.02 0.00 0.00 56.10 57.22 1gkg s TRP 1013Cb -0.03 -3.64 1.48 0.00 -1.15 0.00 0.00 33.47 30.14 1gkg s TRP 1013CO 0.06 -2.29 1.90 1.03 0.02 0.00 0.00 176.95 177.67 1gkg h SER 1014N 7.46 0.00 -2.94 2.95 0.87 -1.84 -3.41 113.55 116.65 1gkg h SER 1014Ca -0.39 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.54 1gkg h SER 1014Cb 1.19 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.09 1gkg h SER 1014CO 0.88 0.00 -0.29 0.42 -0.53 0.00 0.00 176.83 177.31 1gkg s THR 1015N -4.59 5.20 0.71 2.23 -4.23 -1.26 -5.06 115.64 108.64 1gkg s THR 1015Ca -0.04 0.63 -0.11 0.00 -1.18 0.00 0.00 61.69 60.99 1gkg s THR 1015Cb 0.15 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.39 1gkg s THR 1015CO 0.53 0.57 1.09 -1.59 -0.54 0.00 0.00 174.62 174.68 1gkg s LYS 1016N -0.88 2.86 -0.11 3.99 -2.85 -1.26 -4.95 119.74 116.53 1gkg s LYS 1016Ca 0.21 0.54 -0.35 0.00 -1.00 0.00 0.00 55.97 55.37 1gkg s LYS 1016Cb -0.15 -2.01 -0.12 0.00 -2.06 0.00 0.00 37.83 33.49 1gkg s LYS 1016CO 0.10 -1.05 1.87 -0.35 0.10 0.00 0.00 175.35 176.01 1gkg n PRO 1017N -3.03 2.06 -2.57 1.78 -0.04 -1.26 -4.93 135.00 127.01 1gkg n PRO 1017Ca 0.07 0.76 -0.41 0.00 -0.04 0.00 0.00 63.50 63.88 1gkg n PRO 1017Cb 0.56 -2.58 -0.04 0.00 -0.04 0.00 0.00 33.50 31.40 1gkg n PRO 1017CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1gkg s PRO 1018N 4.06 4.64 -0.17 0.54 0.04 -1.26 -4.99 135.00 137.86 1gkg s PRO 1018Ca 0.94 1.65 -0.00 0.00 0.04 0.00 0.00 61.00 63.63 1gkg s PRO 1018Cb -0.74 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1gkg s PRO 1018CO 0.53 0.15 -0.15 0.96 0.04 0.00 0.00 177.00 178.53 1gkg s ILE 1019N -0.33 2.66 -0.24 0.56 -4.36 -0.76 -2.16 121.20 116.56 1gkg s ILE 1019Ca 0.48 -0.76 -0.19 0.00 -0.26 0.00 0.00 60.65 59.91 1gkg s ILE 1019Cb -0.28 -2.13 -0.03 0.00 1.25 0.00 0.00 42.46 41.27 1gkg s ILE 1019CO 0.34 0.51 0.56 0.00 0.24 0.00 0.00 174.94 176.59 1gkg s GLN 1021N 2.14 4.44 0.14 0.00 -1.52 0.51 -4.87 119.66 120.50 1gkg s GLN 1021Ca 0.24 0.88 -0.31 0.00 -1.95 0.00 0.00 55.36 54.22 1gkg s GLN 1021Cb -0.16 -3.45 -0.09 0.00 -0.22 0.00 0.00 33.01 29.09 1gkg s GLN 1021CO 0.09 0.06 1.51 -0.98 -0.25 0.00 0.00 175.29 175.72 1gkg s ARG 1022N 0.81 4.25 -0.46 2.91 3.03 -1.26 -2.06 118.95 126.17 1gkg s ARG 1022Ca 0.38 2.26 -0.28 0.00 2.03 0.00 0.00 55.73 60.11 1gkg s ARG 1022Cb -0.18 -3.21 0.00 0.00 -1.03 0.00 0.00 34.95 30.53 1gkg s ARG 1022CO 0.18 -0.56 1.51 0.42 -1.13 0.00 0.00 175.30 175.72 1gkg s ILE 1023N 1.22 3.76 -0.16 4.99 -1.09 -1.26 -4.88 121.20 123.79 1gkg s ILE 1023Ca 0.68 0.72 -0.28 0.00 -2.23 0.00 0.00 60.65 59.54 1gkg s ILE 1023Cb -0.41 -4.17 -0.01 0.00 -1.58 0.00 0.00 42.46 36.29 1gkg s ILE 1023CO 0.31 -0.85 0.96 -2.16 -1.23 0.00 0.00 174.94 171.97 1gkg s PRO 1024N 5.40 4.34 -0.04 2.79 0.04 -1.26 -0.40 135.00 145.88 1gkg s PRO 1024Ca 0.62 1.26 -0.21 0.00 0.04 0.00 0.00 61.00 62.71 1gkg s PRO 1024Cb -0.14 -3.58 -0.05 0.00 0.04 0.00 0.00 34.50 30.78 1gkg s PRO 1024CO 0.29 -0.39 0.61 0.00 0.04 0.00 0.00 177.00 177.55 1gkg n GLY 1026N 2.73 0.40 3.77 0.00 0.00 -1.21 -2.55 105.19 108.34 1gkg n GLY 1026Ca -0.05 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 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 4.17 1.09 0.99 2.01 -1.26 -4.87 118.68 120.80 1gkg s LEU 1027Ca 0.00 2.20 -0.12 0.00 0.01 0.00 0.00 54.13 56.22 1gkg s LEU 1027Cb 0.00 -4.09 0.24 0.00 0.01 0.00 0.00 46.19 42.35 1gkg s LEU 1027CO 0.00 -0.59 1.06 -2.16 1.01 0.00 0.00 176.35 175.67 1gkg s PRO 1028N -2.37 -0.32 0.61 1.29 0.04 -1.26 -4.83 135.00 128.17 1gkg s PRO 1028Ca 0.57 1.02 0.26 0.00 0.04 0.00 0.00 61.00 62.90 1gkg s PRO 1028Cb -0.27 -1.61 1.23 0.00 0.04 0.00 0.00 34.50 33.89 1gkg s PRO 1028CO 0.33 -3.37 1.66 -1.35 0.04 0.00 0.00 177.00 174.31 1gkg h PRO 1029N -2.38 0.00 -3.67 0.56 0.11 -1.92 -3.47 132.00 121.23 1gkg h PRO 1029Ca -0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1gkg h PRO 1029Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1gkg h PRO 1029CO 0.48 0.00 -0.85 0.25 -0.21 0.00 0.00 178.00 177.68 1gkg n THR 1030N -3.36 -3.82 -3.59 -1.15 -2.24 -1.26 -4.96 114.28 93.90 1gkg n THR 1030Ca 0.11 1.80 -0.08 0.00 -2.27 0.00 0.00 64.05 63.61 1gkg n THR 1030Cb 0.90 -2.65 -0.09 0.00 -2.10 0.00 0.00 70.33 66.40 1gkg n THR 1030CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1gkg s ILE 1031N -4.28 -0.68 -0.76 2.28 -4.36 -1.26 -4.93 121.20 107.21 1gkg s ILE 1031Ca 0.00 0.11 -0.18 0.00 -0.26 0.00 0.00 60.65 60.32 1gkg s ILE 1031Cb 0.00 -0.73 -0.14 0.00 1.25 0.00 0.00 42.46 42.84 1gkg s ILE 1031CO 0.00 0.03 1.93 0.00 0.24 0.00 0.00 174.94 177.14 1gkg n ALA 1032N 5.39 3.47 0.00 2.27 0.00 -1.26 -2.84 120.51 127.55 1gkg n ALA 1032Ca -0.08 -2.95 0.00 0.00 0.00 0.00 0.00 53.44 50.41 1gkg n ALA 1032Cb 0.50 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 16.46 1gkg n ALA 1032CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1gkg n ASN 1033N 6.80 0.00 -3.38 0.00 0.23 -1.26 -5.12 115.26 112.53 1gkg n ASN 1033Ca 0.47 0.00 -0.22 0.00 -0.53 0.00 0.00 54.58 54.31 1gkg n ASN 1033Cb 0.34 0.12 0.15 0.00 -2.08 0.00 0.00 39.78 38.31 1gkg n ASN 1033CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1gkg n GLY 1034N -1.07 -1.50 3.49 4.83 0.00 -1.13 -1.64 105.19 108.16 1gkg n GLY 1034Ca 0.00 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.24 1gkg n GLY 1034CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gkg s ASP 1035N -4.50 -0.73 0.41 1.61 1.11 0.41 -4.74 116.67 110.23 1gkg s ASP 1035Ca 0.55 1.24 -0.14 0.00 0.18 0.00 0.00 52.55 54.38 1gkg s ASP 1035Cb -0.02 1.15 -0.08 0.00 1.07 0.00 0.00 42.92 45.05 1gkg s ASP 1035CO 0.39 -0.22 0.83 0.72 1.18 0.00 0.00 175.17 178.07 1gkg s PHE 1036N 1.22 3.42 -0.53 4.23 -0.12 -1.26 0.15 117.98 125.08 1gkg s PHE 1036Ca -0.07 1.25 0.07 0.00 -0.05 0.00 0.00 56.93 58.13 1gkg s PHE 1036Cb -0.06 -2.59 0.29 0.00 -0.63 0.00 0.00 43.02 40.03 1gkg s PHE 1036CO -0.12 -0.10 0.74 -0.89 -0.05 0.00 0.00 175.22 174.79 1gkg n ILE 1037N -1.00 1.44 -0.24 -4.49 2.08 -0.34 -4.94 119.36 111.87 1gkg n ILE 1037Ca 0.04 -4.93 0.00 0.00 0.56 0.00 0.00 62.75 58.42 1gkg n ILE 1037Cb 0.54 -1.62 0.00 0.00 -0.75 0.00 0.00 39.64 37.81 1gkg n ILE 1037CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1gkg n SER 1038N 0.63 1.89 0.00 4.38 2.88 -1.26 -4.56 113.62 117.58 1gkg n SER 1038Ca 0.27 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1gkg n SER 1038Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1gkg n SER 1038CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1gkg n THR 1039N 0.00 0.00 -1.88 2.46 -1.04 -1.26 -5.01 114.28 107.54 1gkg n THR 1039Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1gkg n THR 1039Cb 0.00 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 1gkg n THR 1039CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1gkg n ASN 1040N 0.00 -4.73 0.00 8.00 2.85 -1.26 -5.03 115.26 115.10 1gkg n ASN 1040Ca 0.00 1.26 0.00 0.00 -0.11 0.00 0.00 54.58 55.73 1gkg n ASN 1040Cb 0.00 -3.40 0.00 0.00 1.24 0.00 0.00 39.78 37.62 1gkg n ASN 1040CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1gkg n ARG 1041N 1.78 0.00 0.04 1.20 5.12 -1.26 -5.07 116.66 118.48 1gkg n ARG 1041Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1gkg n ARG 1041Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1gkg n ARG 1041CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1gkg n GLU 1042N -2.29 0.00 -0.91 5.56 1.02 -1.26 -4.97 120.64 117.78 1gkg n GLU 1042Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 1gkg n GLU 1042Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 1gkg n GLU 1042CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1gkg n ASN 1043N -2.69 5.21 0.03 1.62 5.03 -1.26 -4.56 115.26 118.64 1gkg n ASN 1043Ca 0.00 -2.42 -0.05 0.00 0.87 0.00 0.00 54.58 52.97 1gkg n ASN 1043Cb 0.00 -1.19 -0.04 0.00 -1.02 0.00 0.00 39.78 37.53 1gkg n ASN 1043CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 1gkg h PHE 1044N 6.28 -0.17 -1.84 3.10 -1.00 -1.90 -3.50 116.94 117.92 1gkg h PHE 1044Ca 0.55 -0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.41 1gkg h PHE 1044Cb 0.26 0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.85 1gkg h PHE 1044CO 1.84 0.06 -0.12 0.72 -1.61 0.00 0.00 178.31 179.20 1gkg n HIS 1045N -4.88 -2.21 -1.70 -0.55 8.25 -1.06 -4.64 115.22 108.42 1gkg n HIS 1045Ca -0.04 0.41 -0.41 0.00 -0.26 0.00 0.00 57.72 57.42 1gkg n HIS 1045Cb 0.15 -0.59 0.01 0.00 1.12 0.00 0.00 29.99 30.69 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 -2.10 2.13 -1.22 4.41 9.36 0.47 -2.49 117.16 127.73 1gkg n TYR 1046Ca 0.00 0.50 0.00 0.00 3.32 0.00 0.00 57.90 61.72 1gkg n TYR 1046Cb 0.15 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.48 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 0.81 -4.47 0.00 2.98 0.00 -1.26 -4.90 105.19 98.35 1gkg n GLY 1047Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.62 0.00 -3.65 1.61 7.64 -1.26 -4.95 113.62 113.63 1gkg n SER 1048Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1gkg n SER 1048Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 -1.45 0.01 -0.11 0.44 0.11 -1.25 -2.14 120.40 116.01 1gkg s VAL 1049Ca 0.00 -0.10 -0.12 0.00 -2.93 0.00 0.00 61.98 58.82 1gkg s VAL 1049Cb 0.00 -0.82 0.03 0.00 -1.53 0.00 0.00 36.38 34.06 1gkg s VAL 1049CO 0.00 -0.06 0.34 0.68 -3.33 0.00 0.00 175.10 172.73 1gkg s VAL 1050N -0.52 0.01 -0.18 2.04 -7.23 -0.89 -4.66 120.40 108.96 1gkg s VAL 1050Ca -0.06 -0.09 -0.21 0.00 -1.81 0.00 0.00 61.98 59.80 1gkg s VAL 1050Cb -0.03 -0.51 -0.03 0.00 0.56 0.00 0.00 36.38 36.38 1gkg s VAL 1050CO 0.04 -0.05 0.64 -0.89 -0.31 0.00 0.00 175.10 174.54 1gkg s THR 1051N -0.10 5.02 0.29 5.32 2.01 -1.26 -2.38 115.64 124.55 1gkg s THR 1051Ca -0.03 1.23 -0.17 0.00 0.31 0.00 0.00 61.69 63.04 1gkg s THR 1051Cb -0.03 -3.96 -0.09 0.00 0.01 0.00 0.00 72.50 68.43 1gkg s THR 1051CO 0.01 0.13 0.75 -0.31 -0.69 0.00 0.00 174.62 174.51 1gkg s TYR 1052N 1.75 3.47 -0.13 4.92 1.51 0.83 -1.20 117.35 128.50 1gkg s TYR 1052Ca 0.30 1.31 -0.07 0.00 -1.01 0.00 0.00 57.07 57.61 1gkg s TYR 1052Cb -0.16 -2.59 0.05 0.00 -0.11 0.00 0.00 41.96 39.15 1gkg s TYR 1052CO 0.11 0.17 0.32 0.50 -1.11 0.00 0.00 175.55 175.54 1gkg s ARG 1053N -2.62 0.28 0.54 -0.62 3.52 0.12 -4.76 118.95 115.41 1gkg s ARG 1053Ca 0.51 0.65 -0.17 0.00 -0.13 0.00 0.00 55.73 56.58 1gkg s ARG 1053Cb -0.13 -0.08 -0.06 0.00 -1.56 0.00 0.00 34.95 33.13 1gkg s ARG 1053CO 0.19 -0.16 1.03 0.00 -0.81 0.00 0.00 175.30 175.54 1gkg n ASN 1055N -1.63 0.00 -1.31 0.00 2.85 -0.65 -4.85 115.26 109.67 1gkg n ASN 1055Ca 0.08 0.97 0.16 0.00 -0.11 0.00 0.00 54.58 55.68 1gkg n ASN 1055Cb 0.53 -0.47 -0.07 0.00 1.24 0.00 0.00 39.78 41.01 1gkg n ASN 1055CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1gkg n LEU 1056N -2.44 -0.87 -1.73 1.20 4.77 -1.26 -4.13 117.00 112.54 1gkg n LEU 1056Ca 0.00 2.02 -0.07 0.00 -0.03 0.00 0.00 56.01 57.93 1gkg n LEU 1056Cb 0.00 -3.49 -0.02 0.00 -2.33 0.00 0.00 43.42 37.57 1gkg n LEU 1056CO 0.00 -2.33 1.19 0.61 -1.33 0.00 0.00 177.39 175.53 1gkg n GLY 1057N -4.14 3.06 2.39 -0.72 0.00 -1.26 -4.73 105.19 99.80 1gkg n GLY 1057Ca -0.06 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 1gkg n GLY 1057CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gkg n SER 1058N 1.37 -3.35 0.00 1.61 3.41 -1.26 -4.48 113.62 110.92 1gkg n SER 1058Ca 0.17 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1gkg n SER 1058Cb 0.59 -2.90 0.00 0.00 -0.26 0.00 0.00 64.21 61.64 1gkg n SER 1058CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1gkg n ARG 1059N -2.66 0.00 -0.21 4.33 3.00 -1.26 -5.07 116.66 114.80 1gkg n ARG 1059Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.72 1gkg n ARG 1059Cb 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 32.46 32.85 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 -0.34 0.68 1.59 -0.13 0.00 -1.26 -4.97 105.19 100.75 1gkg n GLY 1060Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.08 0.86 -3.42 1.61 3.00 -1.26 -4.69 116.66 112.68 1gkg n ARG 1061Ca 0.00 -0.02 -0.22 0.00 -0.00 0.00 0.00 57.85 57.61 1gkg n ARG 1061Cb 0.05 -1.09 -0.02 0.00 0.00 0.00 0.00 32.46 31.39 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 1.60 -2.48 0.00 -0.14 4.81 -1.26 -4.74 118.16 115.95 1gkg n LYS 1062Ca 0.01 0.25 0.11 0.00 -0.87 0.00 0.00 58.31 57.80 1gkg n LYS 1062Cb 0.43 -4.86 0.02 0.00 0.02 0.00 0.00 35.03 30.65 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 -3.54 0.02 -3.70 3.15 0.24 -1.26 -4.90 118.33 108.33 1gkg n VAL 1063Ca 0.02 -0.03 -0.14 0.00 -2.04 0.00 0.00 64.34 62.15 1gkg n VAL 1063Cb 0.51 0.64 -0.09 0.00 -1.47 0.00 0.00 33.84 33.43 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 -3.03 -0.53 -0.08 6.34 0.40 -1.26 -4.94 117.98 114.89 1gkg s PHE 1064Ca 0.08 1.24 -0.03 0.00 -0.60 0.00 0.00 56.93 57.62 1gkg s PHE 1064Cb 0.16 0.19 0.04 0.00 0.51 0.00 0.00 43.02 43.93 1gkg s PHE 1064CO 0.80 -0.30 0.13 -1.21 0.70 0.00 0.00 175.22 175.34 1gkg s GLU 1065N 0.04 0.00 0.07 0.44 2.02 -1.26 -4.89 118.70 115.12 1gkg s GLU 1065Ca -0.02 0.46 -0.31 0.00 0.02 0.00 0.00 54.97 55.12 1gkg s GLU 1065Cb -0.03 -0.46 -0.06 0.00 0.10 0.00 0.00 34.13 33.67 1gkg s GLU 1065CO 0.02 -0.35 1.22 -1.17 0.02 0.00 0.00 175.26 175.00 1gkg s LEU 1066N 2.25 4.37 -0.48 1.80 0.20 -1.26 -0.99 118.68 124.57 1gkg s LEU 1066Ca 0.04 2.07 0.06 0.00 0.69 0.00 0.00 54.13 56.99 1gkg s LEU 1066Cb -0.12 -3.58 0.23 0.00 -0.43 0.00 0.00 46.19 42.28 1gkg s LEU 1066CO -0.05 -0.49 0.78 0.55 -0.29 0.00 0.00 176.35 176.84 1gkg n VAL 1067N 3.88 -0.14 -1.46 1.68 3.14 -0.23 -4.94 118.33 120.25 1gkg n VAL 1067Ca 0.09 -1.77 -0.01 0.00 -2.96 0.00 0.00 64.34 59.70 1gkg n VAL 1067Cb 0.46 0.81 -0.01 0.00 -1.06 0.00 0.00 33.84 34.04 1gkg n VAL 1067CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gkg n GLY 1068N 2.01 0.22 1.15 7.55 0.00 -1.26 -2.93 105.19 111.92 1gkg n GLY 1068Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.00 -0.25 1.61 2.13 -1.26 -2.56 120.64 120.31 1gkg n GLU 1069Ca -0.03 0.45 -0.04 0.00 0.66 0.00 0.00 57.16 58.20 1gkg n GLU 1069Cb 0.25 -0.70 0.02 0.00 0.27 0.00 0.00 31.44 31.29 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 0.19 1.20 -3.65 5.31 -0.04 -1.26 -3.80 135.00 132.94 1gkg n PRO 1070Ca 0.00 -0.45 -0.10 0.00 -0.04 0.00 0.00 63.50 62.90 1gkg n PRO 1070Cb 0.00 -1.18 -0.07 0.00 -0.04 0.00 0.00 33.50 32.21 1gkg n PRO 1070CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1gkg s SER 1071N 0.79 -0.81 0.03 3.54 1.04 -1.26 -0.12 113.70 116.91 1gkg s SER 1071Ca 0.09 1.40 -0.02 0.00 0.48 0.00 0.00 55.95 57.90 1gkg s SER 1071Cb 0.07 1.34 -0.02 0.00 0.10 0.00 0.00 66.02 67.51 1gkg s SER 1071CO 0.01 -0.23 0.00 0.27 0.98 0.00 0.00 173.24 174.27 1gkg s ILE 1072N 1.03 0.13 -0.10 -1.02 -4.36 -1.00 -4.87 121.20 111.01 1gkg s ILE 1072Ca -0.05 -1.07 -0.08 0.00 -0.26 0.00 0.00 60.65 59.19 1gkg s ILE 1072Cb -0.05 -0.57 0.03 0.00 1.25 0.00 0.00 42.46 43.12 1gkg s ILE 1072CO -0.10 -0.59 0.25 -0.72 0.24 0.00 0.00 174.94 174.02 1gkg s TYR 1073N -2.02 -0.29 0.44 1.37 -0.85 -1.26 -2.10 117.35 112.64 1gkg s TYR 1073Ca -0.11 0.70 -0.22 0.00 -0.52 0.00 0.00 57.07 56.92 1gkg s TYR 1073Cb -0.06 0.08 -0.09 0.00 0.38 0.00 0.00 41.96 42.28 1gkg s TYR 1073CO -0.03 -0.16 1.04 0.00 -1.52 0.00 0.00 175.55 174.88 1gkg s THR 1075N -1.82 -0.01 0.55 0.00 -1.32 -1.11 -4.53 115.64 107.40 1gkg s THR 1075Ca 0.62 0.05 -0.17 0.00 -1.21 0.00 0.00 61.69 60.99 1gkg s THR 1075Cb -0.19 -0.77 -0.06 0.00 -1.51 0.00 0.00 72.50 69.97 1gkg s THR 1075CO 0.24 0.02 1.04 -0.94 -2.21 0.00 0.00 174.62 172.76 1gkg s SER 1076N 1.46 6.08 0.00 8.08 1.04 -1.17 -4.38 113.70 124.81 1gkg s SER 1076Ca -0.09 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.12 1gkg s SER 1076Cb -0.07 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1gkg s SER 1076CO -0.15 -0.96 0.00 -0.46 0.98 0.00 0.00 173.24 172.65 1gkg n ASN 1077N -1.72 0.00 0.00 7.02 2.04 -1.26 -4.95 115.26 116.38 1gkg n ASN 1077Ca 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.22 1gkg n ASN 1077Cb 0.53 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.78 1gkg n ASN 1077CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1gkg n ASP 1078N -0.09 0.00 -3.16 0.53 8.00 -1.26 -5.15 116.55 115.42 1gkg n ASP 1078Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1gkg n ASP 1078Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1gkg n ASP 1078CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1gkg n ASP 1079N 0.00 0.00 -1.33 -2.24 8.00 -1.26 -4.84 116.55 114.87 1gkg n ASP 1079Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 1gkg n ASP 1079Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.15 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 1.36 0.11 -1.24 10.64 -1.26 -4.04 117.38 122.95 1gkg n GLN 1080Ca 0.00 -0.83 -0.17 0.00 -1.83 0.00 0.00 57.00 54.17 1gkg n GLN 1080Cb 0.00 -1.33 -0.14 0.00 -0.86 0.00 0.00 30.24 27.91 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1gkg h VAL 1081N 0.29 1.48 0.00 -0.39 2.07 -1.89 -3.36 116.25 114.45 1gkg h VAL 1081Ca 0.17 -3.03 0.00 0.00 0.82 0.00 0.00 66.70 64.67 1gkg h VAL 1081Cb 1.51 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 34.24 1gkg h VAL 1081CO 0.30 0.89 0.00 0.61 0.02 0.00 0.00 177.57 179.39 1gkg n GLY 1082N 1.55 1.82 1.55 2.17 0.00 -1.26 -3.31 105.19 107.72 1gkg n GLY 1082Ca -0.09 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1gkg n GLY 1082CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1gkg n ILE 1083N 0.00 0.00 -2.37 -0.61 -0.00 -1.26 -3.07 119.36 112.05 1gkg n ILE 1083Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 62.75 62.34 1gkg n ILE 1083Cb 0.00 -0.68 -0.04 0.00 -0.00 0.00 0.00 39.64 38.93 1gkg n ILE 1083CO 0.00 0.00 0.00 0.26 -0.00 0.00 0.00 176.55 176.81 1gkg s TRP 1084N 0.00 3.42 0.03 4.28 0.52 -1.26 -2.74 118.94 123.19 1gkg s TRP 1084Ca 0.00 1.54 -0.27 0.00 0.02 0.00 0.00 56.10 57.40 1gkg s TRP 1084Cb 0.00 -3.42 -0.17 0.00 -1.15 0.00 0.00 33.47 28.73 1gkg s TRP 1084CO 0.00 -1.05 1.39 0.66 0.02 0.00 0.00 176.95 177.98 1gkg h SER 1085N 4.22 -0.39 -2.97 2.95 4.64 -1.78 -3.42 113.55 116.79 1gkg h SER 1085Ca -0.46 -0.11 -0.54 0.00 -0.47 0.00 0.00 61.79 60.20 1gkg h SER 1085Cb 1.21 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1gkg h SER 1085CO 0.69 -0.10 0.78 -0.83 -0.87 0.00 0.00 176.83 176.50 1gkg s GLY 1086N -2.51 1.95 -0.21 -0.77 0.00 -1.26 -4.91 107.32 99.60 1gkg s GLY 1086Ca -0.15 0.82 -0.01 0.00 0.00 0.00 0.00 44.72 45.38 1gkg s GLY 1086CO 0.58 2.41 2.14 -1.55 0.00 0.00 0.00 173.10 176.68 1gkg n PRO 1087N 5.23 1.60 -1.82 2.90 -0.04 -1.26 -4.65 135.00 136.96 1gkg n PRO 1087Ca 0.12 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 1gkg n PRO 1087Cb 0.44 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.85 -2.01 -1.36 0.55 0.00 -1.26 -4.94 120.51 112.35 1gkg n ALA 1088Ca 0.22 0.49 -0.32 0.00 0.00 0.00 0.00 53.44 53.83 1gkg n ALA 1088Cb 0.57 -1.48 0.08 0.00 0.00 0.00 0.00 19.45 18.62 1gkg n ALA 1088CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1gkg s PRO 1089N -2.78 2.42 -0.32 0.00 0.04 -1.06 -4.88 135.00 128.42 1gkg s PRO 1089Ca 0.00 1.38 -0.10 0.00 0.04 0.00 0.00 61.00 62.33 1gkg s PRO 1089Cb 0.00 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 1gkg s PRO 1089CO 0.00 -1.55 0.15 -1.14 0.04 0.00 0.00 177.00 174.51 1gkg s GLN 1090N -4.35 3.24 -0.15 4.56 2.00 -1.15 -4.76 119.66 119.04 1gkg s GLN 1090Ca 0.66 -0.79 -0.12 0.00 -2.00 0.00 0.00 55.36 53.11 1gkg s GLN 1090Cb -0.21 -3.57 -0.05 0.00 0.80 0.00 0.00 33.01 29.98 1gkg s GLN 1090CO 0.47 -0.46 0.25 0.00 -0.50 0.00 0.00 175.29 175.05