#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkg s ALA 958 N 0.00 3.70 -0.26 0.62 0.00 -1.26 -4.99 121.76 119.57 1gkg s ALA 958 Ca 0.00 1.54 -0.27 0.00 0.00 0.00 0.00 51.96 53.23 1gkg s ALA 958 Cb 0.00 -3.63 0.14 0.00 0.00 0.00 0.00 23.12 19.63 1gkg s ALA 958 CO 0.00 -0.96 1.13 -1.83 0.00 0.00 0.00 175.76 174.10 1gkg s GLU 959 N -0.75 0.41 4.62 0.00 -1.05 -1.26 -5.09 118.70 115.57 1gkg s GLU 959 Ca 0.61 0.35 0.00 0.00 -0.15 0.00 0.00 54.97 55.77 1gkg s GLU 959 Cb -0.47 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.42 1gkg s GLU 959 CO 0.50 -0.08 0.00 0.00 0.95 0.00 0.00 175.26 176.63 1gkg n ALA 960 N 1.61 0.00 -2.83 -0.84 0.00 -1.26 -4.62 120.51 112.57 1gkg n ALA 960 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1gkg n ALA 960 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 0.70 -0.19 0.00 3.01 -1.26 -5.03 119.74 116.97 1gkg s LYS 961 Ca 0.00 -0.66 -0.10 0.00 -1.01 0.00 0.00 55.97 54.20 1gkg s LYS 961 Cb 0.00 0.29 0.07 0.00 -1.01 0.00 0.00 37.83 37.17 1gkg s LYS 961 CO 0.00 -0.20 0.46 -1.54 0.51 0.00 0.00 175.35 174.58 1gkg s SER 962 N -2.14 -0.57 0.00 2.83 1.04 -1.00 -4.09 113.70 109.77 1gkg s SER 962 Ca -0.04 1.01 0.00 0.00 0.48 0.00 0.00 55.95 57.39 1gkg s SER 962 Cb -0.01 0.93 0.00 0.00 0.10 0.00 0.00 66.02 67.04 1gkg s SER 962 CO -0.04 -0.20 1.02 0.00 0.98 0.00 0.00 173.24 174.99 1gkg n LYS 964 N 0.52 -3.71 -1.83 0.00 4.76 -1.26 -4.63 118.16 112.02 1gkg n LYS 964 Ca 0.00 2.75 -0.42 0.00 -2.87 0.00 0.00 58.31 57.76 1gkg n LYS 964 Cb 0.50 -3.21 -0.03 0.00 -1.84 0.00 0.00 35.03 30.45 1gkg n LYS 964 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1gkg s THR 965 N -3.10 3.15 -0.39 -0.18 -1.32 -1.26 -4.90 115.64 107.64 1gkg s THR 965 Ca 0.00 0.32 -0.28 0.00 -1.21 0.00 0.00 61.69 60.52 1gkg s THR 965 Cb 0.00 -3.21 -0.02 0.00 -1.51 0.00 0.00 72.50 67.76 1gkg s THR 965 CO 0.00 -0.02 1.88 -2.84 -2.21 0.00 0.00 174.62 171.43 1gkg s PRO 966 N 3.82 3.10 0.29 7.08 0.02 -1.26 -4.96 135.00 143.09 1gkg s PRO 966 Ca 0.80 1.31 -0.30 0.00 0.02 0.00 0.00 61.00 62.84 1gkg s PRO 966 Cb -0.40 -4.27 -0.11 0.00 0.02 0.00 0.00 34.50 29.74 1gkg s PRO 966 CO 0.36 -2.14 1.48 -1.25 -0.33 0.00 0.00 177.00 175.11 1gkg s PRO 967 N 6.16 4.21 -0.47 5.54 0.04 -1.26 -4.82 135.00 144.39 1gkg s PRO 967 Ca 0.80 2.41 -0.36 0.00 0.04 0.00 0.00 61.00 63.89 1gkg s PRO 967 Cb -0.21 -3.06 -0.14 0.00 0.04 0.00 0.00 34.50 31.13 1gkg s PRO 967 CO 0.31 -0.48 2.26 -0.25 0.04 0.00 0.00 177.00 178.88 1gkg n ASP 968 N 1.89 1.60 0.00 6.66 9.92 -1.26 -4.91 116.55 130.44 1gkg n ASP 968 Ca 0.06 0.37 0.00 0.00 -0.53 0.00 0.00 54.79 54.69 1gkg n ASP 968 Cb 0.39 -1.16 0.00 0.00 -0.64 0.00 0.00 41.12 39.71 1gkg n ASP 968 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1gkg n PRO 969 N 8.14 1.26 0.00 -0.24 -0.04 -1.26 -5.02 135.00 137.85 1gkg n PRO 969 Ca 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 1gkg n PRO 969 Cb 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.63 1gkg n PRO 969 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1gkg n VAL 970 N 0.00 0.00 0.22 0.52 3.14 -1.26 -4.71 118.33 116.24 1gkg n VAL 970 Ca 0.00 0.00 0.06 0.00 -2.96 0.00 0.00 64.34 61.44 1gkg n VAL 970 Cb 0.00 0.00 0.51 0.00 -1.06 0.00 0.00 33.84 33.29 1gkg n VAL 970 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 1gkg h ASN 971 N 0.00 0.00 -3.01 6.55 4.21 -1.92 -3.42 115.58 117.98 1gkg h ASN 971 Ca 0.00 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 56.97 1gkg h ASN 971 Cb 0.00 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1gkg h ASN 971 CO 0.00 0.23 0.74 -0.83 -1.29 0.00 0.00 177.43 176.28 1gkg s GLY 972 N -4.23 2.03 0.05 2.83 0.00 -1.26 -3.90 107.32 102.84 1gkg s GLY 972 Ca -0.03 0.84 -0.10 0.00 0.00 0.00 0.00 44.72 45.42 1gkg s GLY 972 CO 0.68 2.33 0.38 1.06 0.00 0.00 0.00 173.10 177.55 1gkg s MET 973 N 1.96 3.77 0.16 2.90 -1.94 -1.26 -3.99 119.30 120.90 1gkg s MET 973 Ca 0.61 0.19 -0.09 0.00 -1.71 0.00 0.00 55.69 54.70 1gkg s MET 973 Cb -0.30 -3.05 -0.06 0.00 2.01 0.00 0.00 34.83 33.43 1gkg s MET 973 CO 0.26 0.60 0.47 0.54 -0.01 0.00 0.00 175.02 176.88 1gkg s VAL 974 N -1.32 5.03 -0.28 -6.03 0.11 -1.26 -1.65 120.40 115.00 1gkg s VAL 974 Ca 0.30 0.38 0.01 0.00 -2.93 0.00 0.00 61.98 59.74 1gkg s VAL 974 Cb -0.14 -3.64 0.06 0.00 -1.53 0.00 0.00 36.38 31.13 1gkg s VAL 974 CO 0.17 0.08 -0.06 -1.00 -3.33 0.00 0.00 175.10 170.95 1gkg s HIS 975 N -1.64 3.31 0.06 1.54 3.76 -0.16 -4.91 115.29 117.25 1gkg s HIS 975 Ca 0.41 -2.23 -0.21 0.00 -0.15 0.00 0.00 55.06 52.88 1gkg s HIS 975 Cb -0.12 -2.08 -0.13 0.00 1.11 0.00 0.00 32.58 31.36 1gkg s HIS 975 CO 0.21 -0.86 1.52 0.28 -0.85 0.00 0.00 174.74 175.04 1gkg h VAL 976 N 6.65 1.23 0.00 -0.90 2.07 -1.87 -2.60 116.25 120.83 1gkg h VAL 976 Ca -0.19 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1gkg h VAL 976 Cb 1.05 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1gkg h VAL 976 CO 0.49 0.21 0.00 -0.38 0.02 0.00 0.00 177.57 177.91 1gkg n ILE 977 N -4.81 0.00 0.20 4.57 5.41 -1.26 -3.38 119.36 120.09 1gkg n ILE 977 Ca -0.05 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.62 1gkg n ILE 977 Cb 0.18 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.07 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 -1.90 -3.50 112.91 110.26 1gkg h THR 978 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 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 -0.90 -0.25 0.00 0.00 175.52 174.37 1gkg n ASP 979 N -3.54 0.23 -0.83 5.36 5.75 -1.22 -5.06 116.55 117.23 1gkg n ASP 979 Ca -0.07 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.69 1gkg n ASP 979 Cb 0.21 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.27 1gkg n ASP 979 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1gkg n ILE 980 N 0.00 0.00 -0.03 2.12 -5.35 -1.26 -4.80 119.36 110.04 1gkg n ILE 980 Ca 0.00 -0.11 -0.04 0.00 -0.27 0.00 0.00 62.75 62.32 1gkg n ILE 980 Cb 0.00 0.38 -0.03 0.00 -1.74 0.00 0.00 39.64 38.24 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 0.11 -0.06 0.00 6.28 4.20 -1.93 -1.28 115.11 122.43 1gkg h GLN 981 Ca -0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1gkg h GLN 981 Cb 1.32 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.11 1gkg h GLN 981 CO -0.12 0.18 0.00 1.55 -0.67 0.00 0.00 178.83 179.78 1gkg n VAL 982 N -4.79 0.00 0.00 -0.54 3.14 -1.26 -2.37 118.33 112.51 1gkg n VAL 982 Ca -0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 1gkg n VAL 982 Cb 0.13 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.91 1gkg n VAL 982 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gkg n GLY 983 N -0.61 1.54 0.00 7.55 0.00 0.40 -4.94 105.19 109.13 1gkg n GLY 983 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1gkg n GLY 983 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gkg n SER 984 N 1.51 -0.03 -3.56 1.61 3.41 -1.26 -4.71 113.62 110.59 1gkg n SER 984 Ca 0.00 -0.01 -0.11 0.00 -0.26 0.00 0.00 58.87 58.49 1gkg n SER 984 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1gkg n SER 984 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1gkg s ARG 985 N -0.08 1.20 0.04 4.33 3.52 -1.26 -2.37 118.95 124.32 1gkg s ARG 985 Ca 0.00 -0.63 -0.04 0.00 -0.13 0.00 0.00 55.73 54.93 1gkg s ARG 985 Cb 0.00 0.53 -0.02 0.00 -1.56 0.00 0.00 34.95 33.90 1gkg s ARG 985 CO 0.00 -0.50 0.06 0.96 -0.81 0.00 0.00 175.30 175.01 1gkg s ILE 986 N -3.79 0.14 -0.04 4.11 -4.36 -0.87 -4.53 121.20 111.86 1gkg s ILE 986 Ca 0.03 -1.18 -0.02 0.00 -0.26 0.00 0.00 60.65 59.21 1gkg s ILE 986 Cb 0.00 -0.92 0.02 0.00 1.25 0.00 0.00 42.46 42.82 1gkg s ILE 986 CO -0.11 -0.65 0.09 0.42 0.24 0.00 0.00 174.94 174.93 1gkg s THR 987 N -2.69 -0.03 0.00 8.37 -4.23 -0.98 -1.09 115.64 114.99 1gkg s THR 987 Ca -0.04 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1gkg s THR 987 Cb -0.01 -0.16 0.00 0.00 1.34 0.00 0.00 72.50 73.68 1gkg s THR 987 CO -0.05 0.05 0.00 -1.22 -0.54 0.00 0.00 174.62 172.85 1gkg n TYR 988 N 3.70 -0.72 0.00 3.99 4.02 0.15 -0.99 117.16 127.32 1gkg n TYR 988 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 1gkg n TYR 988 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.87 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 -0.56 0.00 -0.95 7.72 7.64 -0.66 -4.80 113.62 122.01 1gkg n SER 989 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1gkg n SER 989 Cb 0.00 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1gkg n SER 989 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gkg s THR 991 N -2.50 2.03 0.21 0.00 -4.23 -1.25 -4.87 115.64 105.03 1gkg s THR 991 Ca 0.00 0.02 -0.32 0.00 -1.18 0.00 0.00 61.69 60.21 1gkg s THR 991 Cb 0.00 -3.01 -0.15 0.00 1.34 0.00 0.00 72.50 70.68 1gkg s THR 991 CO 0.00 0.00 1.28 0.41 -0.54 0.00 0.00 174.62 175.77 1gkg n THR 992 N -0.93 0.93 -2.65 3.99 -1.04 -1.26 -2.43 114.28 110.89 1gkg n THR 992 Ca 0.10 -0.23 -0.07 0.00 -2.04 0.00 0.00 64.05 61.81 1gkg n THR 992 Cb 0.44 -1.16 0.02 0.00 -1.82 0.00 0.00 70.33 67.81 1gkg n THR 992 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1gkg n GLY 993 N 2.08 0.41 3.04 3.41 0.00 -1.26 -5.05 105.19 107.83 1gkg n GLY 993 Ca 0.13 -0.45 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.90 -0.39 -0.81 1.61 4.02 -1.02 -4.86 115.29 110.94 1gkg s HIS 994 Ca 0.13 0.90 -0.25 0.00 1.02 0.00 0.00 55.06 56.87 1gkg s HIS 994 Cb -0.06 0.02 0.05 0.00 -1.02 0.00 0.00 32.58 31.57 1gkg s HIS 994 CO 0.16 -0.30 1.26 0.50 1.02 0.00 0.00 174.74 177.39 1gkg s ARG 995 N 1.82 3.30 0.37 1.40 3.52 -0.75 -4.76 118.95 123.84 1gkg s ARG 995 Ca -0.04 -0.66 -0.28 0.00 -0.13 0.00 0.00 55.73 54.61 1gkg s ARG 995 Cb -0.11 -4.53 -0.10 0.00 -1.56 0.00 0.00 34.95 28.64 1gkg s ARG 995 CO -0.09 -2.08 1.39 -0.48 -0.81 0.00 0.00 175.30 173.23 1gkg s LEU 996 N 5.06 4.34 0.17 -0.88 0.05 -1.26 -0.99 118.68 125.17 1gkg s LEU 996 Ca 0.35 2.86 0.06 0.00 0.05 0.00 0.00 54.13 57.45 1gkg s LEU 996 Cb -0.07 -3.70 -0.04 0.00 -2.05 0.00 0.00 46.19 40.33 1gkg s LEU 996 CO 0.06 -0.75 0.07 -0.63 -0.55 0.00 0.00 176.35 174.56 1gkg s ILE 997 N -1.15 4.15 -0.16 1.48 -1.09 0.25 -4.51 121.20 120.17 1gkg s ILE 997 Ca 0.52 -1.23 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 1gkg s ILE 997 Cb -0.43 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.35 1gkg s ILE 997 CO 0.57 -0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 1gkg n GLY 998 N -0.23 0.52 1.51 6.18 0.00 -1.26 -2.07 105.19 109.84 1gkg n GLY 998 Ca -0.09 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.87 -4.04 -1.19 1.61 8.25 -1.26 -4.67 115.22 111.05 1gkg n HIS 999 Ca -0.01 2.12 -0.20 0.00 -0.26 0.00 0.00 57.72 59.37 1gkg n HIS 999 Cb 0.09 -3.32 -0.05 0.00 1.12 0.00 0.00 29.99 27.83 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 -0.23 6.18 -3.57 0.41 3.41 -1.26 -4.80 113.62 113.76 1gkg n SER 1000Ca 0.00 -2.99 -0.15 0.00 -0.26 0.00 0.00 58.87 55.47 1gkg n SER 1000Cb 0.00 -1.22 -0.06 0.00 -0.26 0.00 0.00 64.21 62.67 1gkg n SER 1000CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1gkg s SER 1001N 0.71 -0.62 -0.29 4.04 1.04 -1.26 0.34 113.70 117.66 1gkg s SER 1001Ca 0.50 0.85 -0.15 0.00 0.48 0.00 0.00 55.95 57.63 1gkg s SER 1001Cb 0.31 0.75 0.13 0.00 0.10 0.00 0.00 66.02 67.31 1gkg s SER 1001CO -0.11 -0.44 0.84 0.00 0.98 0.00 0.00 173.24 174.51 1gkg s ALA 1002N -0.69 -2.23 -0.06 5.32 0.00 -0.25 -4.71 121.76 119.15 1gkg s ALA 1002Ca -0.06 2.26 -0.22 0.00 0.00 0.00 0.00 51.96 53.94 1gkg s ALA 1002Cb -0.02 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 1gkg s ALA 1002CO 0.05 -0.61 0.65 -2.00 0.00 0.00 0.00 175.76 173.85 1gkg s GLU 1003N 1.98 4.41 -1.05 0.00 2.12 -1.26 -2.05 118.70 122.85 1gkg s GLU 1003Ca -0.07 0.80 -0.23 0.00 0.36 0.00 0.00 54.97 55.83 1gkg s GLU 1003Cb -0.06 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.89 1gkg s GLU 1003CO -0.18 0.14 1.77 0.00 -0.54 0.00 0.00 175.26 176.45 1gkg n ILE 1005N 7.37 0.00 -3.65 0.00 -6.64 -0.05 -0.45 119.36 115.94 1gkg n ILE 1005Ca 0.40 0.00 -0.07 0.00 -1.77 0.00 0.00 62.75 61.31 1gkg n ILE 1005Cb 0.48 0.00 -0.08 0.00 -1.44 0.00 0.00 39.64 38.60 1gkg n ILE 1005CO 0.00 0.00 0.00 -0.22 -1.77 0.00 0.00 176.55 174.56 1gkg s LEU 1006N 0.00 -0.81 -0.10 7.28 0.20 -1.26 -1.89 118.68 122.10 1gkg s LEU 1006Ca 0.00 1.41 -0.01 0.00 0.69 0.00 0.00 54.13 56.22 1gkg s LEU 1006Cb 0.00 2.20 -0.01 0.00 -0.43 0.00 0.00 46.19 47.95 1gkg s LEU 1006CO 0.00 -0.23 0.02 -1.28 -0.29 0.00 0.00 176.35 174.57 1gkg h SER 1007N 7.09 0.00 0.00 3.68 0.87 -1.91 -3.48 113.55 119.80 1gkg h SER 1007Ca -0.30 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1gkg h SER 1007Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1gkg h SER 1007CO 0.18 0.52 0.00 0.61 -0.53 0.00 0.00 176.83 177.61 1gkg n GLY 1008N 1.77 0.00 0.12 5.77 0.00 -1.26 -5.02 105.19 106.57 1gkg n GLY 1008Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1gkg n GLY 1008CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1gkg n ASN 1009N 0.00 0.00 -3.41 1.61 6.94 -1.26 -5.16 115.26 113.98 1gkg n ASN 1009Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.44 1gkg n ASN 1009Cb 0.00 0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.42 1gkg n ASN 1009CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1gkg s THR 1010N -1.32 0.00 0.40 5.53 -1.32 -1.26 -5.07 115.64 112.60 1gkg s THR 1010Ca 0.00 -1.44 -0.24 0.00 -1.21 0.00 0.00 61.69 58.80 1gkg s THR 1010Cb 0.00 -2.56 -0.09 0.00 -1.51 0.00 0.00 72.50 68.35 1gkg s THR 1010CO 0.00 0.00 1.06 0.00 -2.21 0.00 0.00 174.62 173.47 1gkg s ALA 1011N -3.21 3.10 -0.06 11.08 0.00 -1.26 -3.51 121.76 127.89 1gkg s ALA 1011Ca 0.25 0.73 -0.13 0.00 0.00 0.00 0.00 51.96 52.81 1gkg s ALA 1011Cb -0.01 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.85 1gkg s ALA 1011CO 0.15 -0.24 0.32 -1.01 0.00 0.00 0.00 175.76 174.98 1gkg s HIS 1012N -1.63 -0.26 -0.06 0.00 3.76 -0.79 -3.74 115.29 112.56 1gkg s HIS 1012Ca 0.57 0.54 -0.30 0.00 -0.15 0.00 0.00 55.06 55.73 1gkg s HIS 1012Cb -0.23 0.11 -0.03 0.00 1.11 0.00 0.00 32.58 33.54 1gkg s HIS 1012CO 0.29 -0.30 1.16 -1.58 -0.85 0.00 0.00 174.74 173.46 1gkg s TRP 1013N -0.67 3.27 0.65 1.40 0.52 -1.26 -0.87 118.94 121.98 1gkg s TRP 1013Ca -0.08 1.30 0.31 0.00 0.02 0.00 0.00 56.10 57.65 1gkg s TRP 1013Cb -0.04 -3.37 1.66 0.00 -1.15 0.00 0.00 33.47 30.57 1gkg s TRP 1013CO 0.03 -1.07 1.93 0.66 0.02 0.00 0.00 176.95 178.52 1gkg h SER 1014N 7.36 0.00 -3.83 2.95 4.64 -1.69 -3.41 113.55 119.57 1gkg h SER 1014Ca -0.34 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.54 1gkg h SER 1014Cb 1.16 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.94 1gkg h SER 1014CO 0.87 0.00 -0.79 0.42 -0.87 0.00 0.00 176.83 176.46 1gkg s THR 1015N -4.09 0.88 0.82 2.95 -4.23 -1.26 -4.98 115.64 105.74 1gkg s THR 1015Ca -0.03 -0.42 -0.11 0.00 -1.18 0.00 0.00 61.69 59.95 1gkg s THR 1015Cb 0.09 -0.78 0.08 0.00 1.34 0.00 0.00 72.50 73.23 1gkg s THR 1015CO 0.28 0.27 1.09 -0.54 -0.54 0.00 0.00 174.62 175.18 1gkg s LYS 1016N 0.16 1.87 0.10 3.99 -0.14 -1.26 -4.92 119.74 119.54 1gkg s LYS 1016Ca -0.03 1.03 -0.36 0.00 -1.36 0.00 0.00 55.97 55.26 1gkg s LYS 1016Cb -0.09 -1.86 -0.17 0.00 -1.68 0.00 0.00 37.83 34.03 1gkg s LYS 1016CO 0.01 -1.87 1.14 -2.30 -0.76 0.00 0.00 175.35 171.57 1gkg n PRO 1017N -3.66 0.75 -1.93 -1.68 -0.02 -1.26 -4.92 135.00 122.28 1gkg n PRO 1017Ca 0.08 0.27 -0.29 0.00 -2.02 0.00 0.00 63.50 61.55 1gkg n PRO 1017Cb 0.54 -1.77 0.09 0.00 -0.02 0.00 0.00 33.50 32.34 1gkg n PRO 1017CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1gkg s PRO 1018N -0.06 1.89 -0.15 0.52 0.04 -1.26 -4.89 135.00 131.10 1gkg s PRO 1018Ca 0.81 0.04 -0.06 0.00 0.04 0.00 0.00 61.00 61.83 1gkg s PRO 1018Cb -1.00 -1.96 0.07 0.00 0.04 0.00 0.00 34.50 31.65 1gkg s PRO 1018CO 0.52 -1.62 0.32 0.96 0.04 0.00 0.00 177.00 177.22 1gkg s ILE 1019N -3.57 -0.43 -0.28 0.56 -4.36 -0.88 -4.02 121.20 108.22 1gkg s ILE 1019Ca 0.63 0.22 -0.24 0.00 -0.26 0.00 0.00 60.65 61.00 1gkg s ILE 1019Cb -0.10 -0.52 -0.00 0.00 1.25 0.00 0.00 42.46 43.08 1gkg s ILE 1019CO 0.49 0.09 0.80 0.00 0.24 0.00 0.00 174.94 176.56 1gkg s GLN 1021N 2.91 4.40 0.00 0.00 -1.52 -0.16 -4.85 119.66 120.44 1gkg s GLN 1021Ca 0.33 1.20 0.11 0.00 -1.95 0.00 0.00 55.36 55.04 1gkg s GLN 1021Cb -0.15 -3.53 0.46 0.00 -0.22 0.00 0.00 33.01 29.58 1gkg s GLN 1021CO 0.11 -0.23 1.32 -2.13 -0.25 0.00 0.00 175.29 174.10 1gkg n ARG 1022N 4.78 0.02 -3.57 2.91 0.63 -1.26 -1.82 116.66 118.36 1gkg n ARG 1022Ca 0.06 0.30 -0.24 0.00 -0.92 0.00 0.00 57.85 57.05 1gkg n ARG 1022Cb 0.49 -1.50 0.05 0.00 0.45 0.00 0.00 32.46 31.95 1gkg n ARG 1022CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1gkg n ILE 1023N -1.47 -6.36 -2.33 5.15 5.41 -1.26 -4.16 119.36 114.34 1gkg n ILE 1023Ca 0.03 -0.93 -0.41 0.00 1.00 0.00 0.00 62.75 62.45 1gkg n ILE 1023Cb 0.12 -4.78 -0.03 0.00 -0.71 0.00 0.00 39.64 34.23 1gkg n ILE 1023CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1gkg s PRO 1024N -5.54 4.51 0.00 0.38 0.04 -1.26 -4.15 135.00 128.98 1gkg s PRO 1024Ca 0.32 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1gkg s PRO 1024Cb -0.09 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1gkg s PRO 1024CO 0.81 -0.01 0.00 0.00 0.04 0.00 0.00 177.00 177.85 1gkg n GLY 1026N 5.00 4.54 3.73 0.00 0.00 -1.26 -4.71 105.19 112.49 1gkg n GLY 1026Ca 0.00 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 4.38 0.63 0.99 1.43 -1.26 -4.89 118.68 119.95 1gkg s LEU 1027Ca 0.00 2.65 -0.18 0.00 -1.03 0.00 0.00 54.13 55.57 1gkg s LEU 1027Cb 0.00 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 1gkg s LEU 1027CO 0.00 -0.76 1.28 -2.16 0.23 0.00 0.00 176.35 174.93 1gkg s PRO 1028N 0.28 2.69 -0.36 1.29 0.04 -1.26 -4.83 135.00 132.86 1gkg s PRO 1028Ca 0.64 2.01 -0.42 0.00 0.04 0.00 0.00 61.00 63.27 1gkg s PRO 1028Cb -0.43 -1.89 -0.17 0.00 0.04 0.00 0.00 34.50 32.05 1gkg s PRO 1028CO 0.38 -1.47 1.72 -2.30 0.04 0.00 0.00 177.00 175.37 1gkg n PRO 1029N -1.77 0.78 -2.85 0.56 -0.02 -1.26 -4.90 135.00 125.53 1gkg n PRO 1029Ca 0.15 0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 61.52 1gkg n PRO 1029Cb 0.48 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 31.98 1gkg n PRO 1029CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1gkg s THR 1030N 3.54 4.21 -0.15 3.45 -4.23 -1.26 -4.75 115.64 116.45 1gkg s THR 1030Ca 1.01 1.92 -0.05 0.00 -1.18 0.00 0.00 61.69 63.39 1gkg s THR 1030Cb -1.21 -4.25 0.07 0.00 1.34 0.00 0.00 72.50 68.46 1gkg s THR 1030CO 0.71 0.51 0.31 0.27 -0.54 0.00 0.00 174.62 175.87 1gkg s ILE 1031N -1.15 -0.46 -1.51 2.99 -4.36 -1.26 -5.00 121.20 110.46 1gkg s ILE 1031Ca 0.39 0.24 0.00 0.00 -0.26 0.00 0.00 60.65 61.02 1gkg s ILE 1031Cb -0.25 -0.51 0.00 0.00 1.25 0.00 0.00 42.46 42.96 1gkg s ILE 1031CO 0.29 0.10 0.51 0.00 0.24 0.00 0.00 174.94 176.09 1gkg n ALA 1032N 5.30 2.10 0.07 2.27 0.00 -1.26 -2.82 120.51 126.17 1gkg n ALA 1032Ca -0.08 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 1gkg n ALA 1032Cb 0.50 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.82 1gkg n ALA 1032CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1gkg h ASN 1033N 0.16 0.15 0.00 0.00 -0.26 -1.96 -3.48 115.58 110.19 1gkg h ASN 1033Ca 0.00 -0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.57 1gkg h ASN 1033Cb 0.17 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 1gkg h ASN 1033CO 0.00 1.13 0.00 0.61 -1.06 0.00 0.00 177.43 178.11 1gkg n GLY 1034N 1.43 2.23 0.00 2.83 0.00 -1.13 -2.15 105.19 108.41 1gkg n GLY 1034Ca -0.04 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1gkg n GLY 1034CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gkg n ASP 1035N 0.00 0.00 -3.67 1.61 8.00 -1.26 -4.76 116.55 116.47 1gkg n ASP 1035Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 1gkg n ASP 1035Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 1gkg n ASP 1035CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1gkg s PHE 1036N -1.01 -0.86 -1.24 1.24 -0.71 -1.26 -1.52 117.98 112.64 1gkg s PHE 1036Ca 0.00 1.74 -0.13 0.00 -1.04 0.00 0.00 56.93 57.50 1gkg s PHE 1036Cb 0.00 0.47 0.16 0.00 -1.21 0.00 0.00 43.02 42.43 1gkg s PHE 1036CO 0.00 -0.45 1.56 -0.89 -1.34 0.00 0.00 175.22 174.11 1gkg n ILE 1037N 4.33 4.22 -3.54 -4.49 5.41 0.65 -4.88 119.36 121.06 1gkg n ILE 1037Ca -0.21 -4.57 -0.10 0.00 1.00 0.00 0.00 62.75 58.87 1gkg n ILE 1037Cb 0.57 -2.44 -0.04 0.00 -0.71 0.00 0.00 39.64 37.02 1gkg n ILE 1037CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1gkg s SER 1038N 2.68 -0.39 0.00 4.38 0.15 -1.26 -4.25 113.70 115.00 1gkg s SER 1038Ca 0.44 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.36 1gkg s SER 1038Cb 0.00 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1gkg s SER 1038CO 0.01 -0.48 0.27 0.41 1.20 0.00 0.00 173.24 174.65 1gkg n THR 1039N 0.36 0.00 0.00 6.45 -1.04 -1.26 -4.81 114.28 113.98 1gkg n THR 1039Ca -0.10 0.77 0.00 0.00 -2.04 0.00 0.00 64.05 62.67 1gkg n THR 1039Cb 0.59 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 1gkg n THR 1039CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1gkg n ASN 1040N -0.32 0.00 0.00 8.00 4.13 -1.26 -4.81 115.26 120.99 1gkg n ASN 1040Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1gkg n ASN 1040Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 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 14.00 0.00 0.00 3.52 1.74 -1.26 -3.38 116.66 131.28 1gkg n ARG 1041Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1gkg n ARG 1041Cb 0.00 -0.03 0.00 0.00 -1.02 0.00 0.00 32.46 31.41 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 0.00 0.00 -0.24 5.56 0.00 -1.26 -4.94 120.64 119.76 1gkg n GLU 1042Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1gkg n GLU 1042Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1gkg n GLU 1042CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1gkg n ASN 1043N -2.29 2.85 -0.02 4.31 3.02 -1.22 -4.08 115.26 117.84 1gkg n ASN 1043Ca 0.00 -1.69 -0.16 0.00 -0.03 0.00 0.00 54.58 52.70 1gkg n ASN 1043Cb 0.00 -0.59 -0.12 0.00 -0.61 0.00 0.00 39.78 38.46 1gkg n ASN 1043CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1gkg h PHE 1044N 1.98 0.33 0.00 3.10 -5.15 -1.84 -3.46 116.94 111.91 1gkg h PHE 1044Ca 0.00 -0.19 0.00 0.00 -0.20 0.00 0.00 57.97 57.58 1gkg h PHE 1044Cb 0.58 -0.03 0.00 0.00 0.22 0.00 0.00 35.95 36.72 1gkg h PHE 1044CO 0.28 1.03 0.00 0.72 -2.00 0.00 0.00 178.31 178.34 1gkg n HIS 1045N -4.42 0.00 -0.00 6.09 8.25 -1.26 -3.00 115.22 120.88 1gkg n HIS 1045Ca -0.10 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.24 1gkg n HIS 1045Cb 0.57 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.62 1gkg n HIS 1045CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1gkg h TYR 1046N 0.00 0.10 -3.67 4.41 3.20 -1.72 -3.05 116.97 116.24 1gkg h TYR 1046Ca 0.00 -0.01 -0.62 0.00 3.14 0.00 0.00 58.73 61.24 1gkg h TYR 1046Cb 0.00 -0.03 -0.14 0.00 1.54 0.00 0.00 36.73 38.10 1gkg h TYR 1046CO 0.00 0.23 -0.27 0.20 -1.64 0.00 0.00 178.16 176.68 1gkg s GLY 1047N -2.61 1.94 0.00 1.82 0.00 -1.16 -3.22 107.32 104.08 1gkg s GLY 1047Ca -0.14 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1gkg s GLY 1047CO 0.68 0.87 0.00 -1.26 0.00 0.00 0.00 173.10 173.39 1gkg n SER 1048N 5.03 0.00 -4.90 1.64 2.88 -1.25 -4.70 113.62 112.33 1gkg n SER 1048Ca -0.09 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.21 1gkg n SER 1048Cb 0.51 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.93 1gkg n SER 1048CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1gkg s VAL 1049N 0.00 4.96 -0.15 2.46 0.11 -1.26 -1.40 120.40 125.12 1gkg s VAL 1049Ca 0.00 -0.99 -0.04 0.00 -2.93 0.00 0.00 61.98 58.02 1gkg s VAL 1049Cb 0.00 -3.62 0.07 0.00 -1.53 0.00 0.00 36.38 31.31 1gkg s VAL 1049CO 0.00 -0.21 0.26 -0.69 -3.33 0.00 0.00 175.10 171.13 1gkg s VAL 1050N -1.88 -0.41 -0.41 2.04 1.01 -0.96 -4.73 120.40 115.05 1gkg s VAL 1050Ca 0.33 0.18 -0.15 0.00 0.00 0.00 0.00 61.98 62.34 1gkg s VAL 1050Cb -0.10 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.79 1gkg s VAL 1050CO 0.27 0.04 0.32 -0.89 0.00 0.00 0.00 175.10 174.84 1gkg s THR 1051N 2.41 5.24 -0.13 3.92 2.01 -1.26 -1.42 115.64 126.41 1gkg s THR 1051Ca 0.03 -0.62 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 1gkg s THR 1051Cb -0.13 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 1gkg s THR 1051CO -0.10 -0.33 0.97 -0.31 -0.69 0.00 0.00 174.62 174.16 1gkg s TYR 1052N 1.74 3.48 0.00 4.92 1.51 -0.48 -0.25 117.35 128.26 1gkg s TYR 1052Ca 0.06 1.51 0.00 0.00 -1.01 0.00 0.00 57.07 57.63 1gkg s TYR 1052Cb -0.19 -3.15 0.00 0.00 -0.11 0.00 0.00 41.96 38.51 1gkg s TYR 1052CO 0.10 -0.25 0.00 -2.13 -1.11 0.00 0.00 175.55 172.17 1gkg n ARG 1053N 5.15 2.21 -3.47 -0.62 3.00 -0.57 -4.87 116.66 117.49 1gkg n ARG 1053Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.80 1gkg n ARG 1053Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.91 1gkg n ARG 1053CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1gkg n ASN 1055N 0.11 2.42 -4.74 0.00 5.03 -0.91 -4.72 115.26 112.44 1gkg n ASN 1055Ca -0.16 -2.26 -0.41 0.00 0.87 0.00 0.00 54.58 52.62 1gkg n ASN 1055Cb 0.62 -0.82 -0.03 0.00 -1.02 0.00 0.00 39.78 38.53 1gkg n ASN 1055CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1gkg s LEU 1056N 0.17 4.44 0.01 3.41 2.01 -1.26 -4.84 118.68 122.62 1gkg s LEU 1056Ca 0.29 2.39 -0.27 0.00 0.01 0.00 0.00 54.13 56.55 1gkg s LEU 1056Cb 0.07 -3.62 -0.04 0.00 0.01 0.00 0.00 46.19 42.62 1gkg s LEU 1056CO 0.03 -0.46 0.86 -0.83 1.01 0.00 0.00 176.35 176.96 1gkg s GLY 1057N 0.09 2.83 0.00 -3.19 0.00 -1.26 -4.17 107.32 101.61 1gkg s GLY 1057Ca 0.54 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.64 1gkg s GLY 1057CO 0.40 1.39 0.00 1.44 0.00 0.00 0.00 173.10 176.33 1gkg n SER 1058N 3.45 0.00 0.02 1.64 7.64 -1.26 -3.25 113.62 121.85 1gkg n SER 1058Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1gkg n SER 1058Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1gkg n SER 1058CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1gkg n ARG 1059N 0.00 0.00 -1.66 1.43 0.63 -1.26 -5.02 116.66 110.78 1gkg n ARG 1059Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 1gkg n ARG 1059Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 1gkg n ARG 1059CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1gkg n GLY 1060N -1.31 0.07 3.65 5.14 0.00 -1.23 -4.77 105.19 106.74 1gkg n GLY 1060Ca 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 0.04 0.57 -1.01 1.61 3.52 -1.20 -4.80 118.95 117.68 1gkg s ARG 1061Ca 0.03 0.90 -0.25 0.00 -0.13 0.00 0.00 55.73 56.28 1gkg s ARG 1061Cb 0.13 -1.72 -0.18 0.00 -1.56 0.00 0.00 34.95 31.62 1gkg s ARG 1061CO -0.04 -2.73 1.97 1.17 -0.81 0.00 0.00 175.30 174.86 1gkg n LYS 1062N -4.23 0.90 -3.26 5.12 4.81 -1.26 -4.60 118.16 115.64 1gkg n LYS 1062Ca 0.06 -2.01 -0.05 0.00 -0.87 0.00 0.00 58.31 55.45 1gkg n LYS 1062Cb 0.55 -3.63 -0.04 0.00 0.02 0.00 0.00 35.03 31.93 1gkg n LYS 1062CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1gkg s VAL 1063N 12.53 -0.75 0.12 3.15 -7.23 -1.26 -5.07 120.40 121.89 1gkg s VAL 1063Ca 0.72 -0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.60 1gkg s VAL 1063Cb 0.01 -0.67 0.00 0.00 0.56 0.00 0.00 36.38 36.28 1gkg s VAL 1063CO 0.17 -0.21 0.00 0.49 -0.31 0.00 0.00 175.10 175.24 1gkg n PHE 1064N 4.90 -1.02 -3.85 2.82 3.01 -1.26 -4.23 117.46 117.82 1gkg n PHE 1064Ca 0.06 0.55 -0.12 0.00 1.01 0.00 0.00 57.45 58.95 1gkg n PHE 1064Cb 0.52 -1.60 -0.12 0.00 -0.01 0.00 0.00 39.48 38.26 1gkg n PHE 1064CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1gkg s GLU 1065N -5.41 0.26 0.38 -1.08 2.02 -1.26 -4.81 118.70 108.80 1gkg s GLU 1065Ca 0.00 -0.05 -0.27 0.00 0.02 0.00 0.00 54.97 54.67 1gkg s GLU 1065Cb 0.00 0.11 -0.09 0.00 0.10 0.00 0.00 34.13 34.25 1gkg s GLU 1065CO 0.00 -0.05 1.24 -1.17 0.02 0.00 0.00 175.26 175.30 1gkg s LEU 1066N -0.47 4.28 -0.13 1.80 2.96 -1.26 0.12 118.68 125.98 1gkg s LEU 1066Ca -0.05 2.52 -0.08 0.00 -0.22 0.00 0.00 54.13 56.29 1gkg s LEU 1066Cb -0.04 -3.87 0.05 0.00 0.50 0.00 0.00 46.19 42.84 1gkg s LEU 1066CO 0.00 -0.66 0.33 -0.69 -1.32 0.00 0.00 176.35 174.02 1gkg s VAL 1067N -1.28 -0.02 0.08 1.68 1.01 -0.33 -4.85 120.40 116.68 1gkg s VAL 1067Ca 0.54 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1gkg s VAL 1067Cb -0.35 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.54 1gkg s VAL 1067CO 0.45 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1gkg n GLY 1068N 3.91 -3.08 2.51 4.51 0.00 -1.26 -2.55 105.19 109.22 1gkg n GLY 1068Ca -0.22 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1gkg n GLY 1068CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1gkg n GLU 1069N -1.34 -0.21 0.05 1.61 0.28 -1.26 -4.58 120.64 115.20 1gkg n GLU 1069Ca 0.00 -0.10 0.03 0.00 -0.16 0.00 0.00 57.16 56.92 1gkg n GLU 1069Cb 0.03 0.19 0.16 0.00 1.43 0.00 0.00 31.44 33.25 1gkg n GLU 1069CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1gkg n PRO 1070N -0.54 0.04 -3.59 3.44 -0.04 -1.26 -4.53 135.00 128.52 1gkg n PRO 1070Ca 0.00 0.47 -0.15 0.00 -0.04 0.00 0.00 63.50 63.78 1gkg n PRO 1070Cb 0.00 -1.73 -0.06 0.00 -0.04 0.00 0.00 33.50 31.66 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 -3.11 -0.47 0.00 3.54 1.04 -1.26 -1.39 113.70 112.06 1gkg s SER 1071Ca -0.01 0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.77 1gkg s SER 1071Cb 0.02 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1gkg s SER 1071CO 0.05 -0.62 0.00 2.30 0.98 0.00 0.00 173.24 175.95 1gkg n ILE 1072N 0.77 0.00 -3.44 -1.02 -5.35 -0.51 -4.94 119.36 104.87 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 0.58 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.45 1gkg n ILE 1072CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 1gkg s TYR 1073N -1.88 -0.56 0.16 4.28 -0.85 -1.26 -2.27 117.35 114.96 1gkg s TYR 1073Ca 0.00 0.48 -0.12 0.00 -0.52 0.00 0.00 57.07 56.90 1gkg s TYR 1073Cb 0.00 0.53 0.04 0.00 0.38 0.00 0.00 41.96 42.91 1gkg s TYR 1073CO 0.00 -0.80 1.66 0.00 -1.52 0.00 0.00 175.55 174.89 1gkg n THR 1075N -4.42 0.00 -3.64 0.00 5.66 -1.20 -3.86 114.28 106.82 1gkg n THR 1075Ca 0.02 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.91 1gkg n THR 1075Cb 0.23 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.94 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 -4.00 -0.56 0.00 1.09 1.04 -1.25 -4.60 113.70 105.43 1gkg s SER 1076Ca 0.00 1.06 0.00 0.00 0.48 0.00 0.00 55.95 57.49 1gkg s SER 1076Cb 0.00 1.09 0.00 0.00 0.10 0.00 0.00 66.02 67.21 1gkg s SER 1076CO 0.00 -0.18 0.00 -0.46 0.98 0.00 0.00 173.24 173.58 1gkg n ASN 1077N 2.45 0.00 -1.99 7.02 2.04 -1.24 -4.94 115.26 118.60 1gkg n ASN 1077Ca -0.13 0.00 -0.13 0.00 -0.44 0.00 0.00 54.58 53.88 1gkg n ASN 1077Cb 0.56 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.71 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 -0.65 5.61 0.00 0.53 2.03 -1.26 -4.91 116.55 117.90 1gkg n ASP 1078Ca 0.00 -2.66 0.00 0.00 0.52 0.00 0.00 54.79 52.65 1gkg n ASP 1078Cb 0.00 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.10 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 1.80 0.00 -2.07 1.67 9.92 -1.26 -3.09 116.55 123.51 1gkg n ASP 1079Ca 0.35 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.51 1gkg n ASP 1079Cb 0.74 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 41.07 1gkg n ASP 1079CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1gkg n GLN 1080N 13.87 1.69 0.00 -1.24 3.00 -1.26 -3.43 117.38 130.00 1gkg n GLN 1080Ca 0.00 -0.84 0.00 0.00 -0.01 0.00 0.00 57.00 56.15 1gkg n GLN 1080Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 30.24 28.32 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1gkg n VAL 1081N 2.57 0.00 0.00 5.09 0.31 -1.18 -4.94 118.33 120.18 1gkg n VAL 1081Ca 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 1gkg n VAL 1081Cb 0.78 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 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 0.62 1.14 1.61 2.92 0.00 -1.22 -4.23 105.19 106.03 1gkg n GLY 1082Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.69 -2.37 -0.61 -5.35 -1.25 -3.70 119.36 102.39 1gkg n ILE 1083Ca 0.00 1.70 -0.36 0.00 -0.27 0.00 0.00 62.75 63.82 1gkg n ILE 1083Cb 0.00 -2.27 -0.02 0.00 -1.74 0.00 0.00 39.64 35.61 1gkg n ILE 1083CO 0.00 0.00 0.00 0.26 -1.76 0.00 0.00 176.55 175.05 1gkg s TRP 1084N -2.60 2.97 0.62 4.28 0.52 -1.26 -4.51 118.94 118.97 1gkg s TRP 1084Ca 0.00 1.57 0.25 0.00 0.02 0.00 0.00 56.10 57.95 1gkg s TRP 1084Cb 0.00 -3.26 1.21 0.00 -1.15 0.00 0.00 33.47 30.27 1gkg s TRP 1084CO 0.00 -1.18 1.65 0.66 0.02 0.00 0.00 176.95 178.10 1gkg h SER 1085N 2.00 0.00 -3.40 2.95 4.64 -1.75 -3.41 113.55 114.58 1gkg h SER 1085Ca -0.49 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.87 1gkg h SER 1085Cb 1.24 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.08 1gkg h SER 1085CO 0.60 0.00 0.40 -0.83 -0.87 0.00 0.00 176.83 176.13 1gkg s GLY 1086N -3.64 -0.23 0.00 -0.77 0.00 -1.26 -5.04 107.32 96.37 1gkg s GLY 1086Ca -0.03 2.52 -0.03 0.00 0.00 0.00 0.00 44.72 47.18 1gkg s GLY 1086CO 0.41 1.78 2.19 -1.05 0.00 0.00 0.00 173.10 176.43 1gkg n PRO 1087N 2.23 1.11 -1.38 2.90 -0.02 -1.26 -4.83 135.00 133.74 1gkg n PRO 1087Ca -0.13 -0.49 0.00 0.00 -2.02 0.00 0.00 63.50 60.86 1gkg n PRO 1087Cb 0.56 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 1gkg n PRO 1087CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gkg n ALA 1088N 2.47 -1.92 -1.09 3.55 0.00 -1.26 -4.90 120.51 117.36 1gkg n ALA 1088Ca 0.21 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1gkg n ALA 1088Cb 0.52 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.78 3.88 -3.69 0.00 -0.04 -1.26 -5.09 135.00 128.02 1gkg n PRO 1089Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1gkg n PRO 1089Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 1gkg n PRO 1089CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1gkg s GLN 1090N 0.43 0.87 0.00 0.54 0.74 -1.06 -5.06 119.66 116.12 1gkg s GLN 1090Ca 0.00 -0.31 0.00 0.00 0.05 0.00 0.00 55.36 55.10 1gkg s GLN 1090Cb 0.00 0.39 0.00 0.00 1.10 0.00 0.00 33.01 34.50 1gkg s GLN 1090CO 0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 175.29 174.46