#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkg n ALA 958 N 0.00 0.00 -1.75 0.62 0.00 -1.26 -5.04 120.51 113.08 1gkg n ALA 958 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1gkg n ALA 958 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1gkg n ALA 958 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1gkg n GLU 959 N -1.44 -4.66 -4.05 0.00 2.13 -1.26 -4.50 120.64 106.87 1gkg n GLU 959 Ca 0.00 3.37 -0.33 0.00 0.66 0.00 0.00 57.16 60.85 1gkg n GLU 959 Cb 0.00 -3.59 -0.04 0.00 0.27 0.00 0.00 31.44 28.08 1gkg n GLU 959 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1gkg n ALA 960 N 1.21 -1.18 -1.51 4.31 0.00 -1.26 -4.37 120.51 117.72 1gkg n ALA 960 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1gkg n ALA 960 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 16.81 1gkg n ALA 960 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1gkg n LYS 961 N -3.93 -4.14 -3.65 0.00 4.76 -1.26 -4.74 118.16 105.19 1gkg n LYS 961 Ca 0.08 3.15 -0.11 0.00 -2.87 0.00 0.00 58.31 58.55 1gkg n LYS 961 Cb 0.48 -3.73 -0.08 0.00 -1.84 0.00 0.00 35.03 29.86 1gkg n LYS 961 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1gkg s SER 962 N -4.34 -0.74 0.71 4.39 1.04 -1.08 -4.30 113.70 109.36 1gkg s SER 962 Ca 0.00 1.33 -0.11 0.00 0.48 0.00 0.00 55.95 57.64 1gkg s SER 962 Cb 0.00 1.29 0.01 0.00 0.10 0.00 0.00 66.02 67.42 1gkg s SER 962 CO 0.00 -0.23 1.10 0.00 0.98 0.00 0.00 173.24 175.09 1gkg s LYS 964 N -5.36 4.19 -0.34 0.00 -2.85 -1.26 -4.81 119.74 109.32 1gkg s LYS 964 Ca 0.58 2.39 -0.29 0.00 -1.00 0.00 0.00 55.97 57.65 1gkg s LYS 964 Cb -0.11 -3.44 0.01 0.00 -2.06 0.00 0.00 37.83 32.22 1gkg s LYS 964 CO 0.52 -0.71 1.27 -0.08 0.10 0.00 0.00 175.35 176.44 1gkg s THR 965 N 2.15 4.17 -0.44 3.79 -1.32 -1.26 -5.00 115.64 117.73 1gkg s THR 965 Ca 0.74 1.30 -0.25 0.00 -1.21 0.00 0.00 61.69 62.27 1gkg s THR 965 Cb -0.42 -4.25 0.02 0.00 -1.51 0.00 0.00 72.50 66.34 1gkg s THR 965 CO 0.32 -0.57 0.90 -2.16 -2.21 0.00 0.00 174.62 170.91 1gkg s PRO 966 N 4.22 3.58 0.27 7.08 0.04 -1.26 -4.92 135.00 144.01 1gkg s PRO 966 Ca 0.54 0.21 -0.03 0.00 0.04 0.00 0.00 61.00 61.76 1gkg s PRO 966 Cb -0.15 -3.90 0.36 0.00 0.04 0.00 0.00 34.50 30.86 1gkg s PRO 966 CO 0.24 -1.14 1.92 -1.00 0.04 0.00 0.00 177.00 177.06 1gkg h PRO 967 N 8.93 1.20 0.00 0.56 0.13 -1.98 -3.44 132.00 137.39 1gkg h PRO 967 Ca -0.24 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1gkg h PRO 967 Cb 1.08 -0.27 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1gkg h PRO 967 CO 1.00 0.79 0.00 -3.47 -0.23 0.00 0.00 178.00 176.10 1gkg n ASP 968 N -4.43 0.00 -3.76 1.44 2.03 -1.26 -4.82 116.55 105.75 1gkg n ASP 968 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1gkg n ASP 968 Cb 0.09 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 1gkg n ASP 968 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1gkg n PRO 969 N 0.00 2.21 0.00 -0.67 -0.04 -1.26 -4.96 135.00 130.28 1gkg n PRO 969 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1gkg n PRO 969 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -0.02 0.00 0.06 0.52 3.14 -1.26 -4.68 118.33 116.09 1gkg n VAL 970 Ca 0.00 0.00 -0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1gkg n VAL 970 Cb 0.00 0.00 0.30 0.00 -1.06 0.00 0.00 33.84 33.08 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 0.37 0.00 6.55 4.21 -1.93 -3.43 115.58 121.35 1gkg h ASN 971 Ca 0.00 -0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.42 1gkg h ASN 971 Cb 0.00 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.10 1gkg h ASN 971 CO 0.00 0.54 0.00 0.61 -1.29 0.00 0.00 177.43 177.29 1gkg n GLY 972 N -0.70 -1.33 3.47 2.83 0.00 -1.26 -4.76 105.19 103.44 1gkg n GLY 972 Ca -0.00 -1.19 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 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 0.75 0.11 1.61 -1.94 -0.28 -4.57 119.30 114.97 1gkg s MET 973 Ca 0.00 0.64 -0.12 0.00 -1.71 0.00 0.00 55.69 54.50 1gkg s MET 973 Cb 0.00 0.36 -0.06 0.00 2.01 0.00 0.00 34.83 37.14 1gkg s MET 973 CO 0.00 -0.13 0.48 0.54 -0.01 0.00 0.00 175.02 175.89 1gkg s VAL 974 N -0.08 4.97 -0.23 -6.03 0.11 -1.26 -2.07 120.40 115.81 1gkg s VAL 974 Ca -0.03 0.65 0.02 0.00 -2.93 0.00 0.00 61.98 59.69 1gkg s VAL 974 Cb -0.04 -3.69 0.05 0.00 -1.53 0.00 0.00 36.38 31.17 1gkg s VAL 974 CO 0.03 0.27 -0.12 -1.00 -3.33 0.00 0.00 175.10 170.95 1gkg s HIS 975 N -1.43 2.97 0.17 1.54 3.76 0.24 -4.97 115.29 117.57 1gkg s HIS 975 Ca 0.35 -2.05 -0.11 0.00 -0.15 0.00 0.00 55.06 53.11 1gkg s HIS 975 Cb -0.14 -1.85 0.07 0.00 1.11 0.00 0.00 32.58 31.77 1gkg s HIS 975 CO 0.18 -0.84 1.68 0.28 -0.85 0.00 0.00 174.74 175.20 1gkg h VAL 976 N 6.56 1.25 0.00 -0.90 2.07 -1.86 -1.75 116.25 121.63 1gkg h VAL 976 Ca -0.25 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1gkg h VAL 976 Cb 1.07 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1gkg h VAL 976 CO 0.49 0.35 0.00 -0.38 0.02 0.00 0.00 177.57 178.04 1gkg n ILE 977 N -4.34 0.00 -0.07 4.57 5.41 -1.26 -2.72 119.36 120.96 1gkg n ILE 977 Ca 0.03 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.68 1gkg n ILE 977 Cb 0.25 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.09 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 1.24 -0.41 1.39 1.35 -1.90 -3.51 112.91 111.08 1gkg h THR 978 Ca 0.00 -1.96 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 1gkg h THR 978 Cb 0.00 2.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1gkg h THR 978 CO 0.00 0.42 0.00 0.47 -0.25 0.00 0.00 175.52 176.16 1gkg n ASP 979 N -4.65 0.00 -0.01 5.36 8.00 -1.10 -5.06 116.55 119.10 1gkg n ASP 979 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1gkg n ASP 979 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 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 -0.03 0.53 -5.35 -1.26 -4.71 119.36 108.54 1gkg n ILE 980 Ca 0.00 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.33 1gkg n ILE 980 Cb 0.00 0.20 -0.09 0.00 -1.74 0.00 0.00 39.64 38.01 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 0.00 0.35 0.00 6.28 4.20 -1.87 -0.49 115.11 123.58 1gkg h GLN 981 Ca 0.00 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1gkg h GLN 981 Cb 1.00 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1gkg h GLN 981 CO 0.00 0.92 0.00 1.55 -0.67 0.00 0.00 178.83 180.63 1gkg n VAL 982 N -4.42 0.00 0.00 -0.54 3.14 -1.26 -2.64 118.33 112.62 1gkg n VAL 982 Ca -0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1gkg n VAL 982 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 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 -0.63 0.99 3.77 7.55 0.00 0.94 -4.94 105.19 112.85 1gkg n GLY 983 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1gkg n GLY 983 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gkg s SER 984 N 0.00 6.72 -0.24 1.61 0.15 -1.26 -4.77 113.70 115.91 1gkg s SER 984 Ca 0.00 2.45 -0.05 0.00 0.70 0.00 0.00 55.95 59.06 1gkg s SER 984 Cb 0.00 -2.63 -0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1gkg s SER 984 CO 0.00 -0.54 -0.01 -0.60 1.20 0.00 0.00 173.24 173.29 1gkg s ARG 985 N -1.98 3.28 0.01 5.44 3.52 -1.26 -1.86 118.95 126.10 1gkg s ARG 985 Ca 0.52 -0.70 -0.17 0.00 -0.13 0.00 0.00 55.73 55.25 1gkg s ARG 985 Cb -0.34 -3.12 -0.06 0.00 -1.56 0.00 0.00 34.95 29.87 1gkg s ARG 985 CO 0.44 -0.27 0.49 0.96 -0.81 0.00 0.00 175.30 176.11 1gkg s ILE 986 N 1.48 4.93 -0.16 4.11 -4.36 -0.50 -4.78 121.20 121.91 1gkg s ILE 986 Ca 0.04 1.03 -0.07 0.00 -0.26 0.00 0.00 60.65 61.39 1gkg s ILE 986 Cb -0.15 -3.81 -0.04 0.00 1.25 0.00 0.00 42.46 39.71 1gkg s ILE 986 CO -0.01 0.53 0.07 0.42 0.24 0.00 0.00 174.94 176.18 1gkg s THR 987 N -0.83 4.84 0.11 8.37 -4.23 -0.66 -2.00 115.64 121.25 1gkg s THR 987 Ca 0.26 -0.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.77 1gkg s THR 987 Cb -0.18 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.47 1gkg s THR 987 CO 0.15 0.49 0.21 -0.31 -0.54 0.00 0.00 174.62 174.63 1gkg s TYR 988 N 0.07 3.42 -0.21 3.99 1.51 0.48 -0.60 117.35 126.01 1gkg s TYR 988 Ca 0.06 0.14 -0.10 0.00 -1.01 0.00 0.00 57.07 56.16 1gkg s TYR 988 Cb -0.12 -1.67 0.08 0.00 -0.11 0.00 0.00 41.96 40.14 1gkg s TYR 988 CO 0.01 0.54 0.49 -1.12 -1.11 0.00 0.00 175.55 174.36 1gkg s SER 989 N -2.86 -0.59 0.60 2.29 0.01 -0.88 -4.62 113.70 107.66 1gkg s SER 989 Ca 0.34 1.11 0.08 0.00 1.31 0.00 0.00 55.95 58.79 1gkg s SER 989 Cb -0.12 1.22 0.10 0.00 0.21 0.00 0.00 66.02 67.43 1gkg s SER 989 CO 0.27 -0.22 0.83 0.00 0.41 0.00 0.00 173.24 174.53 1gkg n THR 991 N -2.36 0.00 -0.01 0.00 -2.24 -1.26 -4.93 114.28 103.48 1gkg n THR 991 Ca 0.16 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.93 1gkg n THR 991 Cb 0.61 -0.42 -0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1gkg n THR 991 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1gkg h THR 992 N -0.61 0.00 -0.06 4.28 2.02 -2.00 -3.39 112.91 113.15 1gkg h THR 992 Ca 0.00 -0.20 -0.08 0.00 0.77 0.00 0.00 66.41 66.90 1gkg h THR 992 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 1gkg h THR 992 CO 0.00 0.00 -0.04 0.61 0.37 0.00 0.00 175.52 176.46 1gkg n GLY 993 N 1.82 2.78 3.16 2.16 0.00 -1.26 -4.74 105.19 109.10 1gkg n GLY 993 Ca -0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 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 0.02 -0.55 -0.25 1.61 4.02 -1.26 -2.97 115.29 115.92 1gkg s HIS 994 Ca 0.18 1.16 -0.15 0.00 1.02 0.00 0.00 55.06 57.26 1gkg s HIS 994 Cb 0.09 0.16 -0.04 0.00 -1.02 0.00 0.00 32.58 31.77 1gkg s HIS 994 CO -0.01 -0.35 0.39 0.50 1.02 0.00 0.00 174.74 176.29 1gkg s ARG 995 N 1.89 4.07 0.21 1.40 3.52 -0.77 -4.44 118.95 124.82 1gkg s ARG 995 Ca -0.05 0.10 -0.30 0.00 -0.13 0.00 0.00 55.73 55.35 1gkg s ARG 995 Cb -0.11 -3.62 -0.08 0.00 -1.56 0.00 0.00 34.95 29.59 1gkg s ARG 995 CO -0.11 -0.21 1.07 -1.17 -0.81 0.00 0.00 175.30 174.07 1gkg s LEU 996 N 1.85 4.53 0.06 -0.88 0.20 -1.26 0.06 118.68 123.24 1gkg s LEU 996 Ca 0.16 2.09 0.01 0.00 0.69 0.00 0.00 54.13 57.08 1gkg s LEU 996 Cb -0.15 -3.61 -0.04 0.00 -0.43 0.00 0.00 46.19 41.96 1gkg s LEU 996 CO 0.09 -0.14 0.18 -0.63 -0.29 0.00 0.00 176.35 175.56 1gkg s ILE 997 N -0.58 5.19 -0.18 6.68 1.09 0.17 -4.50 121.20 129.07 1gkg s ILE 997 Ca 0.47 -0.47 -0.00 0.00 -1.10 0.00 0.00 60.65 59.55 1gkg s ILE 997 Cb -0.29 -3.52 0.00 0.00 -1.06 0.00 0.00 42.46 37.59 1gkg s ILE 997 CO 0.36 0.15 0.06 0.61 -0.10 0.00 0.00 174.94 176.01 1gkg n GLY 998 N 0.36 0.52 1.91 6.18 0.00 -1.26 -2.36 105.19 110.54 1gkg n GLY 998 Ca -0.06 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.43 -4.76 -0.69 1.61 8.25 -1.26 -4.56 115.22 110.37 1gkg n HIS 999 Ca -0.01 2.48 -0.07 0.00 -0.26 0.00 0.00 57.72 59.86 1gkg n HIS 999 Cb 0.51 -3.62 -0.01 0.00 1.12 0.00 0.00 29.99 28.00 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 0.45 5.70 -3.55 0.41 7.64 -1.26 -4.77 113.62 118.23 1gkg n SER 1000Ca 0.00 -2.63 -0.16 0.00 1.01 0.00 0.00 58.87 57.10 1gkg n SER 1000Cb 0.00 -1.14 -0.06 0.00 -1.01 0.00 0.00 64.21 62.00 1gkg n SER 1000CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1gkg s SER 1001N 1.43 -0.60 -0.27 6.43 0.01 -1.26 -0.38 113.70 119.05 1gkg s SER 1001Ca 0.17 0.75 -0.14 0.00 1.31 0.00 0.00 55.95 58.03 1gkg s SER 1001Cb 0.11 0.61 0.09 0.00 0.21 0.00 0.00 66.02 67.04 1gkg s SER 1001CO -0.01 -0.49 0.66 0.00 0.41 0.00 0.00 173.24 173.81 1gkg s ALA 1002N -0.93 -1.83 -0.22 1.44 0.00 -0.85 -4.81 121.76 114.56 1gkg s ALA 1002Ca -0.07 2.33 -0.08 0.00 0.00 0.00 0.00 51.96 54.14 1gkg s ALA 1002Cb -0.01 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1gkg s ALA 1002CO 0.06 -0.47 0.09 -2.00 0.00 0.00 0.00 175.76 173.44 1gkg s GLU 1003N 1.86 3.91 -1.04 0.00 2.12 -1.26 -1.41 118.70 122.89 1gkg s GLU 1003Ca -0.09 -0.36 -0.24 0.00 0.36 0.00 0.00 54.97 54.64 1gkg s GLU 1003Cb -0.07 -3.34 -0.09 0.00 0.26 0.00 0.00 34.13 30.89 1gkg s GLU 1003CO -0.19 0.08 1.99 0.00 -0.54 0.00 0.00 175.26 176.59 1gkg n ILE 1005N 8.00 0.00 -3.65 0.00 -5.35 -0.10 -0.04 119.36 118.21 1gkg n ILE 1005Ca 0.43 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.85 1gkg n ILE 1005Cb 0.46 -1.63 -0.07 0.00 -1.74 0.00 0.00 39.64 36.66 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 -0.89 -0.10 7.28 0.20 -1.26 -1.05 118.68 122.86 1gkg s LEU 1006Ca 0.00 1.42 -0.14 0.00 0.69 0.00 0.00 54.13 56.11 1gkg s LEU 1006Cb 0.00 2.16 -0.11 0.00 -0.43 0.00 0.00 46.19 47.80 1gkg s LEU 1006CO 0.00 -0.23 0.42 0.28 -0.29 0.00 0.00 176.35 176.54 1gkg h SER 1007N 7.45 -0.05 0.00 3.68 0.02 -1.92 -3.48 113.55 119.24 1gkg h SER 1007Ca -0.26 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 1gkg h SER 1007Cb 1.17 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1gkg h SER 1007CO 0.15 0.61 0.00 0.61 -1.14 0.00 0.00 176.83 177.06 1gkg n GLY 1008N 1.46 0.00 0.00 -3.77 0.00 -1.26 -5.02 105.19 96.60 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 1.16 0.00 0.00 0.00 173.32 174.48 1gkg n ASN 1009N 0.00 0.00 -3.72 1.61 0.23 -1.26 -5.15 115.26 106.97 1gkg n ASN 1009Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.91 1gkg n ASN 1009Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 1gkg n ASN 1009CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1gkg s THR 1010N -0.73 0.05 0.12 5.53 2.01 -1.26 -5.07 115.64 116.29 1gkg s THR 1010Ca 0.00 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 1gkg s THR 1010Cb 0.00 -0.67 -0.06 0.00 0.01 0.00 0.00 72.50 71.77 1gkg s THR 1010CO 0.00 -0.21 1.13 0.00 -0.69 0.00 0.00 174.62 174.85 1gkg s ALA 1011N -1.24 3.36 -0.06 7.40 0.00 -1.26 -3.91 121.76 126.05 1gkg s ALA 1011Ca -0.13 0.81 -0.13 0.00 0.00 0.00 0.00 51.96 52.51 1gkg s ALA 1011Cb -0.04 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.71 1gkg s ALA 1011CO 0.05 -0.31 0.32 -1.01 0.00 0.00 0.00 175.76 174.81 1gkg s HIS 1012N 0.40 -0.26 -0.05 0.00 3.76 -0.21 -4.16 115.29 114.77 1gkg s HIS 1012Ca 0.53 0.53 -0.30 0.00 -0.15 0.00 0.00 55.06 55.67 1gkg s HIS 1012Cb -0.29 0.11 -0.05 0.00 1.11 0.00 0.00 32.58 33.46 1gkg s HIS 1012CO 0.32 -0.30 1.43 -1.58 -0.85 0.00 0.00 174.74 173.76 1gkg s TRP 1013N -0.70 2.64 0.59 1.40 0.52 -1.26 -0.93 118.94 121.21 1gkg s TRP 1013Ca -0.08 0.71 0.29 0.00 0.02 0.00 0.00 56.10 57.04 1gkg s TRP 1013Cb -0.04 -3.69 1.48 0.00 -1.15 0.00 0.00 33.47 30.08 1gkg s TRP 1013CO 0.03 -2.61 1.90 0.66 0.02 0.00 0.00 176.95 176.94 1gkg h SER 1014N 8.32 0.00 0.00 2.95 4.64 -1.78 -3.41 113.55 124.27 1gkg h SER 1014Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1gkg h SER 1014Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1gkg h SER 1014CO 0.93 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.24 1gkg n THR 1015N -3.69 0.00 -3.74 2.95 -2.24 -1.26 -5.04 114.28 101.26 1gkg n THR 1015Ca 0.08 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.76 1gkg n THR 1015Cb 0.65 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 1gkg n THR 1015CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1gkg s LYS 1016N 1.77 1.07 -0.25 -0.78 1.02 -1.26 -5.12 119.74 116.19 1gkg s LYS 1016Ca 0.00 -0.85 -0.43 0.00 0.02 0.00 0.00 55.97 54.71 1gkg s LYS 1016Cb 0.00 0.43 -0.20 0.00 -0.52 0.00 0.00 37.83 37.55 1gkg s LYS 1016CO 0.00 -0.40 1.38 -2.30 -0.92 0.00 0.00 175.35 173.10 1gkg n PRO 1017N -0.20 0.14 -2.83 -1.68 -0.02 -1.26 -4.90 135.00 124.25 1gkg n PRO 1017Ca -0.14 0.05 -0.36 0.00 -2.02 0.00 0.00 63.50 61.03 1gkg n PRO 1017Cb 0.63 -1.57 -0.07 0.00 -0.02 0.00 0.00 33.50 32.48 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 1.66 4.47 -0.20 0.52 0.04 -1.26 -4.80 135.00 135.43 1gkg s PRO 1018Ca 0.98 1.23 -0.04 0.00 0.04 0.00 0.00 61.00 63.21 1gkg s PRO 1018Cb -1.35 -2.68 0.10 0.00 0.04 0.00 0.00 34.50 30.61 1gkg s PRO 1018CO 0.69 0.23 0.32 -1.50 0.04 0.00 0.00 177.00 176.77 1gkg s ILE 1019N -1.72 -0.50 -0.23 0.56 2.07 -0.99 -4.08 121.20 116.31 1gkg s ILE 1019Ca 0.52 0.03 -0.23 0.00 -1.41 0.00 0.00 60.65 59.56 1gkg s ILE 1019Cb -0.16 -0.67 -0.01 0.00 0.13 0.00 0.00 42.46 41.74 1gkg s ILE 1019CO 0.21 -0.06 0.76 0.00 -1.91 0.00 0.00 174.94 173.94 1gkg s GLN 1021N 2.51 4.46 -0.01 0.00 2.00 0.11 -4.80 119.66 123.94 1gkg s GLN 1021Ca 0.33 1.01 -0.30 0.00 -2.00 0.00 0.00 55.36 54.40 1gkg s GLN 1021Cb -0.16 -3.32 -0.04 0.00 0.80 0.00 0.00 33.01 30.29 1gkg s GLN 1021CO 0.09 0.41 1.15 1.03 -0.50 0.00 0.00 175.29 177.47 1gkg s ARG 1022N -0.47 4.42 -0.48 1.67 0.52 -1.26 -1.84 118.95 121.51 1gkg s ARG 1022Ca 0.36 1.65 -0.29 0.00 -0.52 0.00 0.00 55.73 56.94 1gkg s ARG 1022Cb -0.21 -3.46 0.02 0.00 0.52 0.00 0.00 34.95 31.82 1gkg s ARG 1022CO 0.23 -0.31 1.34 0.42 0.02 0.00 0.00 175.30 177.00 1gkg s ILE 1023N 1.59 3.94 -0.12 1.52 1.01 -1.16 -4.81 121.20 123.19 1gkg s ILE 1023Ca 0.56 0.92 -0.30 0.00 0.00 0.00 0.00 60.65 61.84 1gkg s ILE 1023Cb -0.26 -4.38 -0.03 0.00 0.01 0.00 0.00 42.46 37.80 1gkg s ILE 1023CO 0.25 -0.96 1.30 -2.16 0.00 0.00 0.00 174.94 173.38 1gkg s PRO 1024N 4.99 4.26 -0.20 2.79 0.04 -1.25 -0.21 135.00 145.41 1gkg s PRO 1024Ca 0.55 1.75 0.02 0.00 0.04 0.00 0.00 61.00 63.36 1gkg s PRO 1024Cb -0.11 -3.73 0.31 0.00 0.04 0.00 0.00 34.50 31.02 1gkg s PRO 1024CO 0.30 -0.66 1.38 0.00 0.04 0.00 0.00 177.00 178.07 1gkg n GLY 1026N -0.20 0.47 3.78 0.00 0.00 -1.26 -4.61 105.19 103.37 1gkg n GLY 1026Ca 0.26 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 4.13 0.48 0.99 1.02 -1.26 -4.84 118.68 119.20 1gkg s LEU 1027Ca 0.00 2.11 -0.24 0.00 0.02 0.00 0.00 54.13 56.02 1gkg s LEU 1027Cb 0.00 -4.17 -0.07 0.00 0.02 0.00 0.00 46.19 41.97 1gkg s LEU 1027CO 0.00 -0.56 1.33 -2.84 0.02 0.00 0.00 176.35 174.29 1gkg s PRO 1028N -2.49 3.55 -0.35 1.29 0.02 -1.26 -4.84 135.00 130.92 1gkg s PRO 1028Ca 0.58 2.17 -0.39 0.00 0.02 0.00 0.00 61.00 63.39 1gkg s PRO 1028Cb -0.24 -2.48 -0.14 0.00 0.02 0.00 0.00 34.50 31.66 1gkg s PRO 1028CO 0.30 -0.84 2.01 -0.35 -0.33 0.00 0.00 177.00 177.79 1gkg n PRO 1029N -0.50 0.91 -2.65 5.54 -0.04 -1.26 -4.89 135.00 132.11 1gkg n PRO 1029Ca 0.07 0.29 -0.39 0.00 -0.04 0.00 0.00 63.50 63.43 1gkg n PRO 1029Cb 0.45 -2.15 -0.05 0.00 -0.04 0.00 0.00 33.50 31.70 1gkg n PRO 1029CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1gkg s THR 1030N 5.63 3.88 -0.14 0.52 -4.23 -1.26 -4.65 115.64 115.39 1gkg s THR 1030Ca 1.07 1.79 -0.05 0.00 -1.18 0.00 0.00 61.69 63.31 1gkg s THR 1030Cb -1.06 -4.09 0.07 0.00 1.34 0.00 0.00 72.50 68.76 1gkg s THR 1030CO 0.59 0.35 0.29 0.27 -0.54 0.00 0.00 174.62 175.57 1gkg s ILE 1031N -1.30 -0.39 0.19 2.99 -4.36 -1.26 -5.02 121.20 112.06 1gkg s ILE 1031Ca 0.45 0.24 -0.32 0.00 -0.26 0.00 0.00 60.65 60.76 1gkg s ILE 1031Cb -0.26 -0.48 -0.16 0.00 1.25 0.00 0.00 42.46 42.82 1gkg s ILE 1031CO 0.33 0.10 1.10 0.00 0.24 0.00 0.00 174.94 176.71 1gkg n ALA 1032N 5.17 -0.85 0.00 2.27 0.00 -1.26 -1.00 120.51 124.83 1gkg n ALA 1032Ca -0.10 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1gkg n ALA 1032Cb 0.50 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1gkg n ALA 1032CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1gkg n ASN 1033N 1.86 0.00 -4.29 0.00 3.02 -1.26 -4.86 115.26 109.74 1gkg n ASN 1033Ca 0.14 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.36 1gkg n ASN 1033Cb 0.26 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.37 1gkg n ASN 1033CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gkg n GLY 1034N 0.00 1.48 3.69 7.41 0.00 -0.17 0.57 105.19 118.17 1gkg n GLY 1034Ca 0.00 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 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 6.01 6.78 0.14 1.61 1.11 -1.26 -4.52 116.67 126.54 1gkg s ASP 1035Ca 0.65 2.26 -0.09 0.00 0.18 0.00 0.00 52.55 55.55 1gkg s ASP 1035Cb 0.04 -2.57 -0.06 0.00 1.07 0.00 0.00 42.92 41.40 1gkg s ASP 1035CO 0.13 -0.75 0.45 0.72 1.18 0.00 0.00 175.17 176.90 1gkg s PHE 1036N 2.16 3.53 0.48 4.23 -0.71 -1.26 -1.95 117.98 124.45 1gkg s PHE 1036Ca 0.66 0.79 -0.05 0.00 -1.04 0.00 0.00 56.93 57.29 1gkg s PHE 1036Cb -0.35 -2.17 -0.04 0.00 -1.21 0.00 0.00 43.02 39.25 1gkg s PHE 1036CO 0.29 0.43 0.78 0.42 -1.34 0.00 0.00 175.22 175.80 1gkg s ILE 1037N -1.56 4.91 0.14 -4.49 -1.09 0.71 -4.92 121.20 114.90 1gkg s ILE 1037Ca 0.39 0.20 0.00 0.00 -2.23 0.00 0.00 60.65 59.00 1gkg s ILE 1037Cb -0.13 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 1gkg s ILE 1037CO 0.20 -0.84 0.00 -0.24 -1.23 0.00 0.00 174.94 172.83 1gkg n SER 1038N -2.23 -2.50 0.25 3.58 2.88 -1.26 -4.03 113.62 110.31 1gkg n SER 1038Ca 0.00 0.38 -0.14 0.00 -1.33 0.00 0.00 58.87 57.78 1gkg n SER 1038Cb 0.55 -0.46 -0.08 0.00 -0.75 0.00 0.00 64.21 63.48 1gkg n SER 1038CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1gkg h THR 1039N 0.24 0.37 0.00 2.46 1.35 -1.96 -3.45 112.91 111.92 1gkg h THR 1039Ca 0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1gkg h THR 1039Cb 0.11 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.04 1gkg h THR 1039CO 0.00 0.06 0.00 -3.20 -0.25 0.00 0.00 175.52 172.13 1gkg n ASN 1040N -5.27 0.00 0.00 5.36 2.85 -1.26 -4.84 115.26 112.10 1gkg n ASN 1040Ca -0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 1gkg n ASN 1040Cb 0.31 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.33 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 0.00 0.00 0.00 1.20 1.74 -1.26 -4.49 116.66 113.85 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 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1gkg n ARG 1041CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1gkg n GLU 1042N 14.00 3.28 -3.12 5.56 0.28 -1.26 -4.38 120.64 135.00 1gkg n GLU 1042Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.80 1gkg n GLU 1042Cb 0.00 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 32.83 1gkg n GLU 1042CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1gkg n ASN 1043N 0.00 -1.14 -4.93 -1.84 3.02 -1.26 -4.84 115.26 104.27 1gkg n ASN 1043Ca 0.00 -0.46 -0.25 0.00 -0.03 0.00 0.00 54.58 53.84 1gkg n ASN 1043Cb 0.00 -1.03 0.02 0.00 -0.61 0.00 0.00 39.78 38.16 1gkg n ASN 1043CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1gkg s PHE 1044N -2.24 3.28 0.00 3.10 -0.12 -1.26 -5.09 117.98 115.65 1gkg s PHE 1044Ca 0.40 0.51 0.00 0.00 -0.05 0.00 0.00 56.93 57.79 1gkg s PHE 1044Cb -0.23 -2.52 0.00 0.00 -0.63 0.00 0.00 43.02 39.63 1gkg s PHE 1044CO 0.49 -0.58 0.00 -2.39 -0.05 0.00 0.00 175.22 172.69 1gkg n HIS 1045N -2.35 -0.34 -1.33 3.49 1.44 -1.26 -4.65 115.22 110.23 1gkg n HIS 1045Ca 0.03 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.39 1gkg n HIS 1045Cb 0.57 0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.79 1gkg n HIS 1045CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 1gkg n TYR 1046N 0.00 1.34 -1.02 -1.40 9.36 0.70 -2.64 117.16 123.51 1gkg n TYR 1046Ca 0.00 0.41 -0.01 0.00 3.32 0.00 0.00 57.90 61.62 1gkg n TYR 1046Cb 0.00 -2.15 -0.00 0.00 -0.63 0.00 0.00 39.34 36.56 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 0.76 0.28 3.58 2.98 0.00 -1.26 -4.94 105.19 106.58 1gkg n GLY 1047Ca 0.14 -0.03 -0.49 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.53 1.34 -3.80 1.61 3.41 -1.14 -4.38 113.62 110.14 1gkg n SER 1048Ca -0.01 1.14 -0.12 0.00 -0.26 0.00 0.00 58.87 59.62 1gkg n SER 1048Cb 0.29 -1.21 -0.11 0.00 -0.26 0.00 0.00 64.21 62.91 1gkg n SER 1048CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1gkg s VAL 1049N -0.17 0.02 -0.18 -3.33 1.01 -1.26 -1.24 120.40 115.25 1gkg s VAL 1049Ca 0.74 -0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.42 1gkg s VAL 1049Cb -0.86 -0.39 0.05 0.00 0.00 0.00 0.00 36.38 35.19 1gkg s VAL 1049CO 0.52 -0.09 0.45 0.68 0.00 0.00 0.00 175.10 176.66 1gkg s VAL 1050N -0.30 -0.01 -0.20 2.92 -7.23 -1.06 -4.95 120.40 109.57 1gkg s VAL 1050Ca -0.04 0.05 -0.17 0.00 -1.81 0.00 0.00 61.98 60.00 1gkg s VAL 1050Cb -0.03 -0.65 -0.04 0.00 0.56 0.00 0.00 36.38 36.22 1gkg s VAL 1050CO 0.01 0.02 0.46 -0.89 -0.31 0.00 0.00 175.10 174.39 1gkg s THR 1051N 0.95 5.15 0.60 5.32 2.01 -1.26 -2.11 115.64 126.30 1gkg s THR 1051Ca -0.06 0.84 -0.16 0.00 0.31 0.00 0.00 61.69 62.63 1gkg s THR 1051Cb -0.06 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1gkg s THR 1051CO -0.08 0.21 1.06 -0.31 -0.69 0.00 0.00 174.62 174.82 1gkg s TYR 1052N 1.48 2.95 0.00 4.92 1.51 -0.53 -0.21 117.35 127.48 1gkg s TYR 1052Ca 0.22 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.79 1gkg s TYR 1052Cb -0.15 -3.03 0.00 0.00 -0.11 0.00 0.00 41.96 38.67 1gkg s TYR 1052CO 0.09 -1.18 0.02 -2.13 -1.11 0.00 0.00 175.55 171.24 1gkg n ARG 1053N -2.06 0.00 -1.26 -0.62 0.63 -0.82 -4.84 116.66 107.68 1gkg n ARG 1053Ca 0.09 -0.02 0.03 0.00 -0.92 0.00 0.00 57.85 57.03 1gkg n ARG 1053Cb 0.53 -0.29 -0.02 0.00 0.45 0.00 0.00 32.46 33.13 1gkg n ARG 1053CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1gkg h ASN 1055N -0.16 0.09 0.00 0.00 -1.24 -0.17 -3.16 115.58 110.94 1gkg h ASN 1055Ca -0.04 -0.13 0.00 0.00 0.71 0.00 0.00 56.30 56.84 1gkg h ASN 1055Cb 0.87 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.90 1gkg h ASN 1055CO 0.01 0.20 0.00 0.18 -1.29 0.00 0.00 177.43 176.53 1gkg n LEU 1056N -4.97 2.92 0.06 0.34 4.32 -1.26 -3.43 117.00 114.98 1gkg n LEU 1056Ca -0.06 -1.32 0.03 0.00 -0.02 0.00 0.00 56.01 54.64 1gkg n LEU 1056Cb 0.09 -0.61 -0.05 0.00 -1.62 0.00 0.00 43.42 41.23 1gkg n LEU 1056CO 0.34 0.55 -0.13 1.23 -1.22 0.00 0.00 177.39 178.16 1gkg h GLY 1057N 3.41 0.00 -5.90 -0.72 0.00 -1.73 -2.41 103.07 95.73 1gkg h GLY 1057Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1gkg h GLY 1057CO 0.00 0.00 -0.37 -1.35 0.00 0.00 0.00 176.54 174.82 1gkg s SER 1058N -5.74 -0.26 0.00 0.19 1.04 -1.22 -4.76 113.70 102.95 1gkg s SER 1058Ca -0.02 0.97 0.00 0.00 0.48 0.00 0.00 55.95 57.38 1gkg s SER 1058Cb 0.09 1.26 0.00 0.00 0.10 0.00 0.00 66.02 67.47 1gkg s SER 1058CO 0.80 -0.23 0.00 0.54 0.98 0.00 0.00 173.24 175.33 1gkg n ARG 1059N 5.26 0.00 0.00 4.02 5.12 -1.26 -4.82 116.66 124.98 1gkg n ARG 1059Ca -0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 1gkg n ARG 1059Cb 0.50 -2.29 0.00 0.00 -1.16 0.00 0.00 32.46 29.52 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 -0.67 -0.21 1.14 -0.13 0.00 -1.26 -4.95 105.19 99.11 1gkg n GLY 1060Ca 0.00 -0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 1gkg n GLY 1060CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gkg n ARG 1061N 0.00 -2.34 0.00 1.61 5.12 -0.93 -4.79 116.66 115.32 1gkg n ARG 1061Ca 0.00 1.60 0.00 0.00 -1.93 0.00 0.00 57.85 57.52 1gkg n ARG 1061Cb 0.00 -2.84 0.00 0.00 -1.16 0.00 0.00 32.46 28.46 1gkg n ARG 1061CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1gkg n LYS 1062N -3.65 0.00 -4.18 5.56 3.00 -1.26 -4.47 118.16 113.16 1gkg n LYS 1062Ca -0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.95 1gkg n LYS 1062Cb 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 35.03 35.45 1gkg n LYS 1062CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1gkg n VAL 1063N 0.00 -1.20 -0.59 3.15 0.31 -1.04 -4.57 118.33 114.39 1gkg n VAL 1063Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1gkg n VAL 1063Cb 0.00 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 1gkg n VAL 1063CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1gkg n PHE 1064N -4.43 0.00 -3.66 3.52 3.01 -1.26 -4.50 117.46 110.14 1gkg n PHE 1064Ca 0.07 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.42 1gkg n PHE 1064Cb 0.50 0.01 -0.11 0.00 -0.01 0.00 0.00 39.48 39.87 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 0.00 0.27 0.45 -1.08 2.02 -1.25 -4.88 118.70 114.22 1gkg s GLU 1065Ca 0.00 0.91 -0.24 0.00 0.02 0.00 0.00 54.97 55.66 1gkg s GLU 1065Cb 0.00 0.17 -0.07 0.00 0.10 0.00 0.00 34.13 34.33 1gkg s GLU 1065CO 0.00 -0.25 1.20 -1.17 0.02 0.00 0.00 175.26 175.06 1gkg s LEU 1066N 2.42 4.05 -0.02 1.80 2.96 -1.25 0.45 118.68 129.09 1gkg s LEU 1066Ca -0.02 2.40 0.00 0.00 -0.22 0.00 0.00 54.13 56.30 1gkg s LEU 1066Cb -0.12 -4.17 0.02 0.00 0.50 0.00 0.00 46.19 42.43 1gkg s LEU 1066CO -0.11 -0.94 0.00 -0.69 -1.32 0.00 0.00 176.35 173.29 1gkg s VAL 1067N -1.47 0.14 0.00 1.68 1.01 0.38 -4.89 120.40 117.25 1gkg s VAL 1067Ca 0.63 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1gkg s VAL 1067Cb -0.31 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1gkg s VAL 1067CO 0.38 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1gkg n GLY 1068N 3.94 0.13 3.70 4.51 0.00 -1.26 -2.17 105.19 114.03 1gkg n GLY 1068Ca -0.25 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 4.27 0.01 1.61 -1.05 -1.26 -4.90 118.70 117.37 1gkg s GLU 1069Ca 0.00 2.10 0.28 0.00 -0.15 0.00 0.00 54.97 57.20 1gkg s GLU 1069Cb 0.00 -3.45 0.98 0.00 -0.44 0.00 0.00 34.13 31.22 1gkg s GLU 1069CO 0.00 -0.57 1.75 -0.35 0.95 0.00 0.00 175.26 177.04 1gkg n PRO 1070N 4.89 0.01 -3.68 -4.83 -0.05 -1.26 -4.16 135.00 125.93 1gkg n PRO 1070Ca 0.13 0.01 -0.09 0.00 -0.05 0.00 0.00 63.50 63.50 1gkg n PRO 1070Cb 0.42 -1.51 -0.10 0.00 -0.05 0.00 0.00 33.50 32.27 1gkg n PRO 1070CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 175.50 174.33 1gkg s SER 1071N -3.06 -0.56 0.22 3.54 0.01 -1.26 -1.45 113.70 111.14 1gkg s SER 1071Ca 0.13 1.05 -0.13 0.00 1.31 0.00 0.00 55.95 58.32 1gkg s SER 1071Cb 0.18 1.07 -0.07 0.00 0.21 0.00 0.00 66.02 67.41 1gkg s SER 1071CO 0.59 -0.21 0.59 0.27 0.41 0.00 0.00 173.24 174.89 1gkg s ILE 1072N 1.77 4.84 -0.09 1.44 -4.36 -0.90 -4.95 121.20 118.96 1gkg s ILE 1072Ca -0.08 0.71 -0.04 0.00 -0.26 0.00 0.00 60.65 60.98 1gkg s ILE 1072Cb -0.09 -3.67 0.04 0.00 1.25 0.00 0.00 42.46 40.00 1gkg s ILE 1072CO -0.14 0.03 0.20 -0.72 0.24 0.00 0.00 174.94 174.54 1gkg s TYR 1073N -1.72 -0.25 0.98 1.37 -0.85 -1.26 -2.55 117.35 113.07 1gkg s TYR 1073Ca 0.45 0.65 -0.11 0.00 -0.52 0.00 0.00 57.07 57.54 1gkg s TYR 1073Cb -0.13 -0.03 0.18 0.00 0.38 0.00 0.00 41.96 42.36 1gkg s TYR 1073CO 0.20 -0.21 1.09 0.00 -1.52 0.00 0.00 175.55 175.11 1gkg n THR 1075N -4.31 0.00 -1.21 0.00 5.66 -1.15 -4.59 114.28 108.69 1gkg n THR 1075Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 1gkg n THR 1075Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1gkg n THR 1075CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1gkg n SER 1076N -0.39 -6.57 0.00 1.09 7.64 -0.90 -4.63 113.62 109.87 1gkg n SER 1076Ca 0.00 1.28 0.00 0.00 1.01 0.00 0.00 58.87 61.16 1gkg n SER 1076Cb 0.00 -3.58 0.00 0.00 -1.01 0.00 0.00 64.21 59.62 1gkg n SER 1076CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1gkg n ASN 1077N -1.90 0.00 0.00 6.43 2.04 -1.26 -4.99 115.26 115.58 1gkg n ASN 1077Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1gkg n ASN 1077Cb 0.25 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.50 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 -0.74 0.00 0.00 0.53 -0.08 -1.26 -4.97 116.55 110.04 1gkg n ASP 1078Ca 0.00 0.55 0.00 0.00 -1.51 0.00 0.00 54.79 53.83 1gkg n ASP 1078Cb 0.00 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.41 1gkg n ASP 1078CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1gkg n ASP 1079N -0.66 0.00 -0.56 1.67 8.00 -1.26 -5.00 116.55 118.75 1gkg n ASP 1079Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 1gkg n ASP 1079Cb 0.00 0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 1gkg n ASP 1079CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1gkg n GLN 1080N -1.65 0.00 0.00 -1.24 7.27 -1.26 -4.72 117.38 115.78 1gkg n GLN 1080Ca 0.00 -0.22 0.00 0.00 0.07 0.00 0.00 57.00 56.85 1gkg n GLN 1080Cb 0.00 0.43 0.00 0.00 2.41 0.00 0.00 30.24 33.08 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1gkg n VAL 1081N 0.00 0.00 -2.69 1.69 0.31 -1.26 -4.62 118.33 111.76 1gkg n VAL 1081Ca -0.06 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.21 1gkg n VAL 1081Cb 0.33 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.34 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 5.00 0.56 3.69 2.92 0.00 -1.25 -3.89 105.19 112.23 1gkg n GLY 1082Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1gkg n GLY 1082CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gkg s ILE 1083N 0.15 4.86 0.00 -0.61 1.09 -1.26 -4.59 121.20 120.84 1gkg s ILE 1083Ca 0.16 1.87 0.00 0.00 -1.10 0.00 0.00 60.65 61.58 1gkg s ILE 1083Cb 0.29 -4.24 0.00 0.00 -1.06 0.00 0.00 42.46 37.45 1gkg s ILE 1083CO -0.07 0.07 0.00 0.79 -0.10 0.00 0.00 174.94 175.63 1gkg n TRP 1084N 4.70 0.00 -0.04 3.97 7.02 -1.26 -2.11 117.44 129.73 1gkg n TRP 1084Ca 0.06 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.49 1gkg n TRP 1084Cb 0.49 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.25 1gkg n TRP 1084CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1gkg n SER 1085N 0.00 0.41 -3.54 -0.99 3.41 -0.45 -4.31 113.62 108.13 1gkg n SER 1085Ca 0.00 0.19 -0.12 0.00 -0.26 0.00 0.00 58.87 58.68 1gkg n SER 1085Cb 0.00 0.69 -0.04 0.00 -0.26 0.00 0.00 64.21 64.59 1gkg n SER 1085CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1gkg s GLY 1086N -5.11 -0.39 0.00 5.00 0.00 -1.26 -5.02 107.32 100.55 1gkg s GLY 1086Ca -0.07 1.60 -0.03 0.00 0.00 0.00 0.00 44.72 46.23 1gkg s GLY 1086CO 0.83 0.83 2.27 -1.05 0.00 0.00 0.00 173.10 175.98 1gkg n PRO 1087N 0.50 1.17 -1.26 2.90 -0.02 -1.26 -4.81 135.00 132.22 1gkg n PRO 1087Ca -0.12 -0.49 0.00 0.00 -2.02 0.00 0.00 63.50 60.87 1gkg n PRO 1087Cb 0.59 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 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 2.40 -1.82 -1.00 3.55 0.00 -1.26 -4.95 120.51 117.43 1gkg n ALA 1088Ca 0.21 0.37 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1gkg n ALA 1088Cb 0.54 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.18 2.84 -3.70 0.00 -0.04 -1.26 -4.99 135.00 126.68 1gkg n PRO 1089Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1gkg n PRO 1089Cb 0.07 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.42 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 0.35 -1.14 0.54 -1.52 -0.92 -4.95 119.66 112.02 1gkg s GLN 1090Ca 0.00 0.77 -0.06 0.00 -1.95 0.00 0.00 55.36 54.12 1gkg s GLN 1090Cb 0.00 -0.01 0.26 0.00 -0.22 0.00 0.00 33.01 33.05 1gkg s GLN 1090CO 0.00 -0.17 1.59 0.00 -0.25 0.00 0.00 175.29 176.46