#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 -2.68 4.31 0.00 -1.26 -5.02 120.51 115.87 1gkg n ALA 958 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1gkg n ALA 958 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.02 0.55 -0.50 0.00 2.13 -1.26 -5.01 120.64 115.53 1gkg n GLU 959 Ca 0.00 -1.14 -0.01 0.00 0.66 0.00 0.00 57.16 56.66 1gkg n GLU 959 Cb 0.00 -0.15 -0.02 0.00 0.27 0.00 0.00 31.44 31.54 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 -0.27 3.97 -3.67 4.31 0.00 -1.26 -4.69 120.51 118.91 1gkg n ALA 960 Ca -0.13 -0.18 -0.22 0.00 0.00 0.00 0.00 53.44 52.90 1gkg n ALA 960 Cb 0.73 -1.23 0.05 0.00 0.00 0.00 0.00 19.45 18.99 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 1.66 -5.76 -3.24 0.00 4.01 -1.26 -4.60 118.16 108.97 1gkg n LYS 961 Ca 0.04 0.69 -0.39 0.00 -0.51 0.00 0.00 58.31 58.15 1gkg n LYS 961 Cb 0.49 -5.47 -0.06 0.00 -0.51 0.00 0.00 35.03 29.48 1gkg n LYS 961 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1gkg s SER 962 N -4.06 6.84 0.00 4.39 1.04 -1.26 -3.21 113.70 117.44 1gkg s SER 962 Ca 0.19 1.01 0.00 0.00 0.48 0.00 0.00 55.95 57.62 1gkg s SER 962 Cb -0.09 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1gkg s SER 962 CO 0.79 0.03 1.95 0.00 0.98 0.00 0.00 173.24 176.99 1gkg n LYS 964 N 1.46 -5.49 -1.62 0.00 3.00 -1.26 -4.48 118.16 109.77 1gkg n LYS 964 Ca 0.00 3.92 -0.43 0.00 -0.00 0.00 0.00 58.31 61.80 1gkg n LYS 964 Cb 0.50 -4.47 -0.03 0.00 0.00 0.00 0.00 35.03 31.03 1gkg n LYS 964 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1gkg n THR 965 N 1.89 0.46 -1.72 3.15 -1.04 -1.26 -4.88 114.28 110.88 1gkg n THR 965 Ca 0.00 -0.37 -0.43 0.00 -2.04 0.00 0.00 64.05 61.21 1gkg n THR 965 Cb 0.00 -2.49 -0.03 0.00 -1.82 0.00 0.00 70.33 65.99 1gkg n THR 965 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1gkg s PRO 966 N 5.85 3.47 0.05 -2.82 0.02 -1.26 -4.89 135.00 135.41 1gkg s PRO 966 Ca 0.98 2.07 -0.29 0.00 0.02 0.00 0.00 61.00 63.78 1gkg s PRO 966 Cb -0.37 -4.27 -0.18 0.00 0.02 0.00 0.00 34.50 29.71 1gkg s PRO 966 CO 0.37 -1.71 1.49 -1.00 -0.33 0.00 0.00 177.00 175.82 1gkg h PRO 967 N 13.28 -0.64 0.00 5.54 0.13 -2.00 -3.45 132.00 144.86 1gkg h PRO 967 Ca -0.42 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1gkg h PRO 967 Cb 1.22 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1gkg h PRO 967 CO 0.97 -0.37 0.00 -0.40 -0.23 0.00 0.00 178.00 177.96 1gkg n ASP 968 N -5.33 0.00 -4.76 1.44 5.68 -1.26 -4.83 116.55 107.48 1gkg n ASP 968 Ca -0.12 0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 53.81 1gkg n ASP 968 Cb 0.30 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.30 1gkg n ASP 968 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 1gkg s PRO 969 N 0.00 3.20 -0.56 0.11 0.04 -1.23 -4.80 135.00 131.76 1gkg s PRO 969 Ca 0.00 1.78 -0.42 0.00 0.04 0.00 0.00 61.00 62.40 1gkg s PRO 969 Cb 0.00 -2.03 -0.19 0.00 0.04 0.00 0.00 34.50 32.32 1gkg s PRO 969 CO 0.00 -1.01 2.22 0.28 0.04 0.00 0.00 177.00 178.53 1gkg n VAL 970 N -1.33 0.01 0.00 -0.36 0.31 -1.26 -1.30 118.33 114.40 1gkg n VAL 970 Ca 0.12 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1gkg n VAL 970 Cb 0.50 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 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 8.09 0.00 -2.80 4.52 3.02 -1.26 -3.31 115.26 123.52 1gkg n ASN 971 Ca 0.56 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 55.04 1gkg n ASN 971 Cb -0.01 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.22 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 -2.69 3.50 7.41 0.00 -0.42 -4.20 105.19 108.79 1gkg n GLY 972 Ca 0.00 -1.43 -0.12 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 -3.59 0.66 0.32 1.61 -1.94 -0.26 -3.50 119.30 112.59 1gkg s MET 973 Ca 0.17 0.92 -0.16 0.00 -1.71 0.00 0.00 55.69 54.91 1gkg s MET 973 Cb -0.02 0.24 -0.09 0.00 2.01 0.00 0.00 34.83 36.97 1gkg s MET 973 CO 0.13 -0.11 0.75 0.14 -0.01 0.00 0.00 175.02 175.93 1gkg s VAL 974 N 0.77 4.64 -0.35 -6.03 -7.23 -1.26 -1.81 120.40 109.13 1gkg s VAL 974 Ca -0.04 1.04 -0.01 0.00 -1.81 0.00 0.00 61.98 61.16 1gkg s VAL 974 Cb -0.05 -3.64 0.08 0.00 0.56 0.00 0.00 36.38 33.33 1gkg s VAL 974 CO -0.06 -0.15 0.10 -1.00 -0.31 0.00 0.00 175.10 173.68 1gkg s HIS 975 N -1.94 3.49 -0.83 2.82 3.76 0.16 -4.93 115.29 117.82 1gkg s HIS 975 Ca 0.53 -2.30 -0.25 0.00 -0.15 0.00 0.00 55.06 52.89 1gkg s HIS 975 Cb -0.11 -2.73 -0.03 0.00 1.11 0.00 0.00 32.58 30.82 1gkg s HIS 975 CO 0.18 -0.90 1.89 0.08 -0.85 0.00 0.00 174.74 175.13 1gkg s VAL 976 N 1.15 3.45 0.00 -0.90 1.01 -1.26 -2.32 120.40 121.53 1gkg s VAL 976 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1gkg s VAL 976 Cb -0.21 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1gkg s VAL 976 CO -0.04 -1.00 0.00 -0.38 0.00 0.00 0.00 175.10 173.68 1gkg n ILE 977 N 7.64 0.00 0.02 2.22 5.41 -1.26 -4.82 119.36 128.57 1gkg n ILE 977 Ca 0.34 0.11 -0.01 0.00 1.00 0.00 0.00 62.75 64.19 1gkg n ILE 977 Cb 0.48 -0.35 -0.00 0.00 -0.71 0.00 0.00 39.64 39.06 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 -0.28 1.39 1.35 -1.89 -3.51 112.91 109.98 1gkg h THR 978 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 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 -0.67 -0.25 0.00 0.00 175.52 174.60 1gkg n ASP 979 N -2.37 0.00 -0.05 5.36 2.03 -1.26 -5.07 116.55 115.18 1gkg n ASP 979 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 1gkg n ASP 979 Cb 0.03 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 1gkg n ASP 979 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1gkg n ILE 980 N 0.00 0.00 0.11 5.18 -5.35 -1.26 -4.34 119.36 113.70 1gkg n ILE 980 Ca 0.00 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.39 1gkg n ILE 980 Cb 0.00 0.19 0.06 0.00 -1.74 0.00 0.00 39.64 38.15 1gkg n ILE 980 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gkg n GLN 981 N 0.00 1.46 0.00 6.28 6.02 -1.26 -2.43 117.38 127.46 1gkg n GLN 981 Ca 0.00 -1.09 0.00 0.00 -0.01 0.00 0.00 57.00 55.90 1gkg n GLN 981 Cb 0.50 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.34 1gkg n GLN 981 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1gkg n VAL 982 N -0.04 0.00 0.00 5.09 0.31 -1.20 -4.69 118.33 117.81 1gkg n VAL 982 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1gkg n VAL 982 Cb 0.90 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.83 1gkg n VAL 982 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gkg n GLY 983 N 1.93 1.04 3.77 2.92 0.00 0.18 -4.93 105.19 110.10 1gkg n GLY 983 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1gkg n GLY 983 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gkg s SER 984 N 0.00 5.46 -0.01 1.61 0.01 -1.26 -4.66 113.70 114.85 1gkg s SER 984 Ca 0.00 2.21 0.01 0.00 1.31 0.00 0.00 55.95 59.48 1gkg s SER 984 Cb 0.00 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.66 1gkg s SER 984 CO 0.00 -1.40 -0.01 0.00 0.41 0.00 0.00 173.24 172.24 1gkg s ARG 985 N -3.42 0.18 0.00 12.44 3.03 -1.26 -1.30 118.95 128.62 1gkg s ARG 985 Ca 0.73 -0.00 0.00 0.00 2.03 0.00 0.00 55.73 58.49 1gkg s ARG 985 Cb -0.25 -0.27 0.00 0.00 -1.03 0.00 0.00 34.95 33.40 1gkg s ARG 985 CO 0.31 -0.03 0.00 0.44 -1.13 0.00 0.00 175.30 174.89 1gkg n ILE 986 N 3.49 0.00 -3.69 4.99 -5.35 -0.70 -4.54 119.36 113.57 1gkg n ILE 986 Ca -0.19 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.16 1gkg n ILE 986 Cb 0.56 -1.45 -0.13 0.00 -1.74 0.00 0.00 39.64 36.87 1gkg n ILE 986 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1gkg s THR 987 N 0.72 -0.26 0.23 7.28 -4.23 -0.98 -3.56 115.64 114.84 1gkg s THR 987 Ca 0.00 0.24 -0.08 0.00 -1.18 0.00 0.00 61.69 60.67 1gkg s THR 987 Cb 0.00 -0.40 -0.06 0.00 1.34 0.00 0.00 72.50 73.37 1gkg s THR 987 CO 0.00 0.10 0.52 -0.31 -0.54 0.00 0.00 174.62 174.39 1gkg s TYR 988 N 1.98 3.44 -0.23 3.99 1.51 -0.15 0.37 117.35 128.27 1gkg s TYR 988 Ca -0.03 0.77 -0.10 0.00 -1.01 0.00 0.00 57.07 56.70 1gkg s TYR 988 Cb -0.11 -2.19 0.08 0.00 -0.11 0.00 0.00 41.96 39.64 1gkg s TYR 988 CO -0.08 0.27 0.52 -1.54 -1.11 0.00 0.00 175.55 173.61 1gkg s SER 989 N -2.57 -0.66 -0.29 2.29 1.04 -0.75 -4.55 113.70 108.22 1gkg s SER 989 Ca 0.46 1.19 -0.18 0.00 0.48 0.00 0.00 55.95 57.89 1gkg s SER 989 Cb -0.11 1.33 -0.02 0.00 0.10 0.00 0.00 66.02 67.32 1gkg s SER 989 CO 0.24 -0.22 0.54 0.00 0.98 0.00 0.00 173.24 174.78 1gkg n THR 991 N 5.27 0.00 -0.01 0.00 -2.24 -1.26 -4.16 114.28 111.89 1gkg n THR 991 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1gkg n THR 991 Cb 0.49 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 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 0.09 -2.64 4.28 5.66 -1.26 -4.80 114.28 115.62 1gkg n THR 992 Ca 0.00 -0.09 -0.10 0.00 -3.05 0.00 0.00 64.05 60.81 1gkg n THR 992 Cb 0.00 -0.21 0.03 0.00 -1.55 0.00 0.00 70.33 68.60 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 2.57 2.66 2.93 1.09 0.00 -1.26 -5.07 105.19 108.10 1gkg n GLY 993 Ca -0.02 -1.53 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.46 0.14 -0.11 1.61 4.02 -1.26 -4.63 115.29 111.60 1gkg s HIS 994 Ca 0.32 -0.26 -0.28 0.00 1.02 0.00 0.00 55.06 55.86 1gkg s HIS 994 Cb 0.40 -0.10 -0.02 0.00 -1.02 0.00 0.00 32.58 31.84 1gkg s HIS 994 CO -0.02 -0.09 0.92 0.50 1.02 0.00 0.00 174.74 177.07 1gkg s ARG 995 N -0.72 4.40 -0.11 1.40 3.52 -0.42 -4.68 118.95 122.34 1gkg s ARG 995 Ca -0.08 1.23 -0.30 0.00 -0.13 0.00 0.00 55.73 56.46 1gkg s ARG 995 Cb -0.05 -3.53 -0.02 0.00 -1.56 0.00 0.00 34.95 29.79 1gkg s ARG 995 CO -0.00 -0.25 1.19 -1.17 -0.81 0.00 0.00 175.30 174.26 1gkg s LEU 996 N 1.80 4.23 0.28 -0.88 0.20 -1.26 -0.42 118.68 122.62 1gkg s LEU 996 Ca 0.45 1.71 -0.15 0.00 0.69 0.00 0.00 54.13 56.82 1gkg s LEU 996 Cb -0.18 -3.55 -0.08 0.00 -0.43 0.00 0.00 46.19 41.95 1gkg s LEU 996 CO 0.18 -0.63 0.70 -0.63 -0.29 0.00 0.00 176.35 175.67 1gkg s ILE 997 N 2.69 4.69 0.00 6.68 -1.09 0.12 -4.73 121.20 129.57 1gkg s ILE 997 Ca 0.54 0.96 0.00 0.00 -2.23 0.00 0.00 60.65 59.92 1gkg s ILE 997 Cb -0.22 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 1gkg s ILE 997 CO 0.18 -0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.44 1gkg n GLY 998 N -0.02 1.68 3.21 6.18 0.00 -1.26 -2.03 105.19 112.95 1gkg n GLY 998 Ca 0.01 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 1gkg n GLY 998 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gkg s HIS 999 N 0.00 -0.47 -0.26 1.61 3.76 -1.26 -5.01 115.29 113.65 1gkg s HIS 999 Ca 0.00 1.06 0.00 0.00 -0.15 0.00 0.00 55.06 55.97 1gkg s HIS 999 Cb 0.00 0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.86 1gkg s HIS 999 CO 0.00 -0.27 0.80 0.43 -0.85 0.00 0.00 174.74 174.85 1gkg n SER 1000N 3.84 2.29 -3.58 1.40 7.64 -1.26 -4.68 113.62 119.27 1gkg n SER 1000Ca -0.21 -1.84 -0.15 0.00 1.01 0.00 0.00 58.87 57.68 1gkg n SER 1000Cb 0.55 -0.46 -0.06 0.00 -1.01 0.00 0.00 64.21 63.23 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 0.72 -0.62 -0.23 6.43 1.04 -1.26 -0.98 113.70 118.80 1gkg s SER 1001Ca 0.00 0.91 -0.14 0.00 0.48 0.00 0.00 55.95 57.20 1gkg s SER 1001Cb 0.00 0.83 0.07 0.00 0.10 0.00 0.00 66.02 67.02 1gkg s SER 1001CO 0.00 -0.41 0.56 0.00 0.98 0.00 0.00 173.24 174.37 1gkg s ALA 1002N -0.53 -1.47 -0.15 5.32 0.00 -1.23 -4.90 121.76 118.79 1gkg s ALA 1002Ca -0.05 1.92 -0.05 0.00 0.00 0.00 0.00 51.96 53.78 1gkg s ALA 1002Cb -0.02 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 1gkg s ALA 1002CO 0.04 -0.31 0.04 -1.83 0.00 0.00 0.00 175.76 173.70 1gkg s GLU 1003N 1.25 3.63 0.06 0.00 -1.05 -1.26 -1.71 118.70 119.61 1gkg s GLU 1003Ca -0.08 -0.36 -0.31 0.00 -0.15 0.00 0.00 54.97 54.07 1gkg s GLU 1003Cb -0.06 -3.06 -0.06 0.00 -0.44 0.00 0.00 34.13 30.51 1gkg s GLU 1003CO -0.13 0.43 1.23 0.00 0.95 0.00 0.00 175.26 177.75 1gkg n ILE 1005N 4.02 0.00 -3.73 0.00 -5.35 -0.94 -0.64 119.36 112.72 1gkg n ILE 1005Ca 0.10 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.43 1gkg n ILE 1005Cb 0.46 0.00 -0.15 0.00 -1.74 0.00 0.00 39.64 38.21 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 0.53 -0.11 7.28 1.98 -1.26 -2.01 118.68 125.09 1gkg s LEU 1006Ca 0.00 0.27 -0.03 0.00 -2.89 0.00 0.00 54.13 51.48 1gkg s LEU 1006Cb 0.00 0.27 -0.02 0.00 0.66 0.00 0.00 46.19 47.10 1gkg s LEU 1006CO 0.00 -0.18 0.01 0.77 -1.89 0.00 0.00 176.35 175.07 1gkg h SER 1007N 7.59 0.00 0.00 3.68 4.64 -1.92 -3.48 113.55 124.06 1gkg h SER 1007Ca -0.35 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1gkg h SER 1007Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1gkg h SER 1007CO 0.35 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 177.49 1gkg n GLY 1008N 1.74 0.00 0.00 -0.77 0.00 -1.26 -5.00 105.19 99.90 1gkg n GLY 1008Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1gkg n GLY 1008CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gkg n ASN 1009N 0.00 0.00 -3.75 1.61 4.05 -1.26 -5.14 115.26 110.77 1gkg n ASN 1009Ca 0.00 0.00 -0.13 0.00 0.45 0.00 0.00 54.58 54.90 1gkg n ASN 1009Cb 0.00 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 40.91 1gkg n ASN 1009CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1gkg s THR 1010N 0.00 0.02 0.30 -0.44 2.01 -1.26 -5.06 115.64 111.20 1gkg s THR 1010Ca 0.00 -0.12 -0.28 0.00 0.31 0.00 0.00 61.69 61.59 1gkg s THR 1010Cb 0.00 -0.54 -0.09 0.00 0.01 0.00 0.00 72.50 71.88 1gkg s THR 1010CO 0.00 -0.07 1.07 0.00 -0.69 0.00 0.00 174.62 174.93 1gkg s ALA 1011N -0.22 3.34 -0.05 7.40 0.00 -1.26 -3.48 121.76 127.49 1gkg s ALA 1011Ca -0.04 0.82 -0.14 0.00 0.00 0.00 0.00 51.96 52.60 1gkg s ALA 1011Cb -0.03 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1gkg s ALA 1011CO 0.02 -0.12 0.32 -3.38 0.00 0.00 0.00 175.76 172.60 1gkg s HIS 1012N -1.26 -0.24 0.13 0.00 -3.43 -0.85 -3.91 115.29 105.72 1gkg s HIS 1012Ca 0.47 0.46 -0.31 0.00 -0.80 0.00 0.00 55.06 54.87 1gkg s HIS 1012Cb -0.29 0.11 -0.09 0.00 -1.43 0.00 0.00 32.58 30.88 1gkg s HIS 1012CO 0.37 -0.33 1.47 -1.58 -2.00 0.00 0.00 174.74 172.66 1gkg s TRP 1013N -0.90 3.13 0.57 0.38 0.52 -1.26 -2.21 118.94 119.16 1gkg s TRP 1013Ca -0.10 0.80 0.29 0.00 0.02 0.00 0.00 56.10 57.11 1gkg s TRP 1013Cb -0.04 -3.78 1.47 0.00 -1.15 0.00 0.00 33.47 29.96 1gkg s TRP 1013CO 0.03 -2.84 1.91 0.66 0.02 0.00 0.00 176.95 176.73 1gkg h SER 1014N 6.91 0.00 -3.41 2.95 4.64 -1.83 -3.40 113.55 119.41 1gkg h SER 1014Ca -0.42 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.22 1gkg h SER 1014Cb 1.21 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.13 1gkg h SER 1014CO 0.89 0.00 -0.64 0.42 -0.87 0.00 0.00 176.83 176.62 1gkg s THR 1015N -4.73 4.12 0.71 2.95 -4.23 -1.26 -5.07 115.64 108.12 1gkg s THR 1015Ca -0.04 -0.31 -0.16 0.00 -1.18 0.00 0.00 61.69 59.99 1gkg s THR 1015Cb 0.17 -2.73 0.01 0.00 1.34 0.00 0.00 72.50 71.29 1gkg s THR 1015CO 0.61 0.58 1.13 2.29 -0.54 0.00 0.00 174.62 178.70 1gkg n LYS 1016N 2.39 0.68 -1.47 3.99 0.00 -1.26 -4.74 118.16 117.74 1gkg n LYS 1016Ca -0.18 0.29 -0.44 0.00 -0.00 0.00 0.00 58.31 57.98 1gkg n LYS 1016Cb 0.53 -2.37 -0.10 0.00 -0.00 0.00 0.00 35.03 33.09 1gkg n LYS 1016CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1gkg n PRO 1017N -2.11 0.43 -1.73 -1.58 -0.02 -1.26 -4.86 135.00 123.88 1gkg n PRO 1017Ca 0.14 0.05 -0.33 0.00 -2.02 0.00 0.00 63.50 61.34 1gkg n PRO 1017Cb 0.49 -2.12 0.05 0.00 -0.02 0.00 0.00 33.50 31.91 1gkg n PRO 1017CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1gkg s PRO 1018N 7.96 2.70 0.00 0.52 0.02 -1.26 -4.99 135.00 139.95 1gkg s PRO 1018Ca 1.21 1.49 0.00 0.00 0.02 0.00 0.00 61.00 63.72 1gkg s PRO 1018Cb -0.97 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 31.62 1gkg s PRO 1018CO 0.46 -1.35 0.00 0.44 -0.33 0.00 0.00 177.00 176.22 1gkg n ILE 1019N -2.38 0.00 -4.17 2.83 -5.35 -0.86 -4.19 119.36 105.24 1gkg n ILE 1019Ca 0.11 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.43 1gkg n ILE 1019Cb 0.51 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.36 1gkg n ILE 1019CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gkg s GLN 1021N -3.05 0.44 -0.14 0.00 2.00 0.44 -4.61 119.66 114.75 1gkg s GLN 1021Ca 0.33 0.86 -0.29 0.00 -2.00 0.00 0.00 55.36 54.25 1gkg s GLN 1021Cb 0.01 0.26 -0.02 0.00 0.80 0.00 0.00 33.01 34.06 1gkg s GLN 1021CO 0.23 -0.11 1.30 0.50 -0.50 0.00 0.00 175.29 176.71 1gkg s ARG 1022N 1.83 4.24 -0.17 1.67 3.52 -1.26 -1.30 118.95 127.47 1gkg s ARG 1022Ca -0.07 1.72 -0.29 0.00 -0.13 0.00 0.00 55.73 56.96 1gkg s ARG 1022Cb -0.05 -3.76 -0.02 0.00 -1.56 0.00 0.00 34.95 29.56 1gkg s ARG 1022CO -0.17 -0.69 1.31 0.42 -0.81 0.00 0.00 175.30 175.36 1gkg s ILE 1023N 3.39 4.19 -0.10 4.11 1.01 -1.26 -4.98 121.20 127.56 1gkg s ILE 1023Ca 0.57 1.43 -0.30 0.00 0.00 0.00 0.00 60.65 62.35 1gkg s ILE 1023Cb -0.23 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 1gkg s ILE 1023CO 0.17 -0.16 1.29 -2.16 0.00 0.00 0.00 174.94 174.08 1gkg s PRO 1024N 3.63 4.27 0.00 2.79 0.04 -1.23 -4.39 135.00 140.11 1gkg s PRO 1024Ca 0.57 1.75 -0.21 0.00 0.04 0.00 0.00 61.00 63.15 1gkg s PRO 1024Cb -0.22 -3.69 -0.05 0.00 0.04 0.00 0.00 34.50 30.58 1gkg s PRO 1024CO 0.17 -0.61 0.61 0.00 0.04 0.00 0.00 177.00 177.21 1gkg s GLY 1026N -0.18 1.65 0.27 0.00 0.00 -1.11 -4.57 107.32 103.37 1gkg s GLY 1026Ca 0.32 -0.06 -0.29 0.00 0.00 0.00 0.00 44.72 44.69 1gkg s GLY 1026CO 0.18 0.28 1.04 1.04 0.00 0.00 0.00 173.10 175.64 1gkg n LEU 1027N -3.16 1.75 -4.78 0.66 4.77 -1.26 -4.70 117.00 110.29 1gkg n LEU 1027Ca 0.07 1.17 -0.35 0.00 -0.03 0.00 0.00 56.01 56.87 1gkg n LEU 1027Cb 0.55 -1.28 -0.00 0.00 -2.33 0.00 0.00 43.42 40.36 1gkg n LEU 1027CO 0.56 -1.37 0.77 -2.16 -1.33 0.00 0.00 177.39 173.86 1gkg s PRO 1028N -1.30 3.42 -0.08 3.23 0.04 -1.26 -4.92 135.00 134.14 1gkg s PRO 1028Ca 0.62 1.55 -0.39 0.00 0.04 0.00 0.00 61.00 62.81 1gkg s PRO 1028Cb -0.73 -2.02 -0.17 0.00 0.04 0.00 0.00 34.50 31.62 1gkg s PRO 1028CO 0.58 -0.78 1.47 -2.30 0.04 0.00 0.00 177.00 176.01 1gkg n PRO 1029N -1.29 0.99 -2.57 0.56 -0.02 -1.26 -4.89 135.00 126.52 1gkg n PRO 1029Ca 0.11 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 1gkg n PRO 1029Cb 0.51 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 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 1.62 4.50 -0.42 3.45 -4.23 -1.26 -4.88 115.64 114.41 1gkg s THR 1030Ca 0.91 1.80 -0.23 0.00 -1.18 0.00 0.00 61.69 62.99 1gkg s THR 1030Cb -1.05 -4.15 0.02 0.00 1.34 0.00 0.00 72.50 68.66 1gkg s THR 1030CO 0.56 0.04 0.77 -0.51 -0.54 0.00 0.00 174.62 174.93 1gkg s ILE 1031N 1.83 4.69 0.37 2.99 2.07 -1.26 -5.02 121.20 126.88 1gkg s ILE 1031Ca 0.53 0.52 -0.27 0.00 -1.41 0.00 0.00 60.65 60.02 1gkg s ILE 1031Cb -0.22 -4.27 -0.09 0.00 0.13 0.00 0.00 42.46 38.00 1gkg s ILE 1031CO 0.22 -0.62 1.28 0.00 -1.91 0.00 0.00 174.94 173.91 1gkg s ALA 1032N 3.18 3.34 -1.08 1.50 0.00 -1.26 -2.84 121.76 124.60 1gkg s ALA 1032Ca 0.29 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1gkg s ALA 1032Cb -0.13 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1gkg s ALA 1032CO 0.21 -0.69 0.00 0.09 0.00 0.00 0.00 175.76 175.36 1gkg n ASN 1033N 0.40 -3.97 -3.65 0.00 3.02 -1.26 -4.74 115.26 105.07 1gkg n ASN 1033Ca 0.02 0.08 -0.02 0.00 -0.03 0.00 0.00 54.58 54.63 1gkg n ASN 1033Cb 0.43 -2.98 -0.07 0.00 -0.61 0.00 0.00 39.78 36.56 1gkg n ASN 1033CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1gkg s GLY 1034N -2.60 0.31 0.00 7.41 0.00 -1.13 -2.51 107.32 108.80 1gkg s GLY 1034Ca 0.00 3.43 0.00 0.00 0.00 0.00 0.00 44.72 48.15 1gkg s GLY 1034CO 0.00 2.31 0.00 2.09 0.00 0.00 0.00 173.10 177.50 1gkg n ASP 1035N 2.53 0.00 -3.67 1.64 5.68 -1.26 -4.45 116.55 117.02 1gkg n ASP 1035Ca -0.14 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.05 1gkg n ASP 1035Cb 0.57 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.46 1gkg n ASP 1035CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1gkg s PHE 1036N 0.00 -0.81 -0.63 2.11 -0.12 -1.26 -3.90 117.98 113.37 1gkg s PHE 1036Ca 0.00 1.70 -0.21 0.00 -0.05 0.00 0.00 56.93 58.37 1gkg s PHE 1036Cb 0.00 0.42 0.09 0.00 -0.63 0.00 0.00 43.02 42.89 1gkg s PHE 1036CO 0.00 -0.42 0.84 0.42 -0.05 0.00 0.00 175.22 176.01 1gkg s ILE 1037N 1.30 4.56 -0.22 -4.49 -1.09 0.29 -4.92 121.20 116.62 1gkg s ILE 1037Ca -0.08 -0.67 -0.28 0.00 -2.23 0.00 0.00 60.65 57.39 1gkg s ILE 1037Cb -0.06 -4.59 0.14 0.00 -1.58 0.00 0.00 42.46 36.37 1gkg s ILE 1037CO -0.13 -1.30 1.11 -0.55 -1.23 0.00 0.00 174.94 172.83 1gkg s SER 1038N 3.66 -0.31 0.43 3.58 0.15 -1.26 -1.47 113.70 118.48 1gkg s SER 1038Ca 0.17 0.43 0.10 0.00 0.70 0.00 0.00 55.95 57.35 1gkg s SER 1038Cb -0.20 0.38 0.94 0.00 -1.71 0.00 0.00 66.02 65.43 1gkg s SER 1038CO 0.08 -0.22 2.04 0.74 1.20 0.00 0.00 173.24 177.09 1gkg h THR 1039N 2.79 1.04 -2.33 6.45 2.02 -1.94 -3.42 112.91 117.51 1gkg h THR 1039Ca -0.20 -0.16 -0.57 0.00 0.77 0.00 0.00 66.41 66.25 1gkg h THR 1039Cb 1.17 0.53 0.05 0.00 -1.74 0.00 0.00 68.15 68.16 1gkg h THR 1039CO 0.23 0.09 0.90 -3.20 0.37 0.00 0.00 175.52 173.91 1gkg n ASN 1040N -4.48 3.38 0.00 4.18 5.15 -1.26 -4.74 115.26 117.49 1gkg n ASN 1040Ca 0.05 1.06 0.00 0.00 -0.60 0.00 0.00 54.58 55.08 1gkg n ASN 1040Cb 0.15 -1.46 0.00 0.00 -0.53 0.00 0.00 39.78 37.94 1gkg n ASN 1040CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1gkg n ARG 1041N 4.10 0.00 0.03 1.20 1.74 -1.26 -5.00 116.66 117.47 1gkg n ARG 1041Ca 0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 1gkg n ARG 1041Cb 0.31 -0.21 0.00 0.00 -1.02 0.00 0.00 32.46 31.54 1gkg n ARG 1041CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1gkg n GLU 1042N -0.66 0.00 -2.32 5.56 1.02 -1.26 -5.09 120.64 117.89 1gkg n GLU 1042Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 1gkg n GLU 1042Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1gkg n GLU 1042CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1gkg s ASN 1043N -3.93 7.03 -0.42 1.62 0.01 -1.26 -4.94 114.94 113.05 1gkg s ASN 1043Ca 0.00 2.32 0.07 0.00 -0.71 0.00 0.00 52.86 54.54 1gkg s ASN 1043Cb 0.00 -2.61 0.33 0.00 0.41 0.00 0.00 41.25 39.38 1gkg s ASN 1043CO 0.00 -0.41 1.24 2.22 -1.51 0.00 0.00 177.10 178.64 1gkg n PHE 1044N 2.29 -2.39 -0.04 2.20 1.16 -1.26 -4.73 117.46 114.69 1gkg n PHE 1044Ca 0.04 -1.86 -0.11 0.00 -1.87 0.00 0.00 57.45 53.65 1gkg n PHE 1044Cb 0.44 1.57 -0.05 0.00 -1.61 0.00 0.00 39.48 39.83 1gkg n PHE 1044CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1gkg h HIS 1045N 2.40 0.26 0.00 2.97 3.86 -1.88 0.58 115.15 123.33 1gkg h HIS 1045Ca -0.22 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 1gkg h HIS 1045Cb 1.20 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1gkg h HIS 1045CO 0.19 0.33 0.00 0.98 0.86 0.00 0.00 177.93 180.29 1gkg n TYR 1046N -4.85 0.00 0.00 2.45 9.36 -1.26 -1.98 117.16 120.88 1gkg n TYR 1046Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 1gkg n TYR 1046Cb 0.13 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.84 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 -0.38 2.78 3.50 2.98 0.00 -1.26 -4.98 105.19 107.83 1gkg n GLY 1047Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.41 -0.14 -3.70 1.61 7.64 -1.26 -4.66 113.62 113.52 1gkg n SER 1048Ca 0.00 1.00 -0.16 0.00 1.01 0.00 0.00 58.87 60.71 1gkg n SER 1048Cb 0.00 -1.17 -0.16 0.00 -1.01 0.00 0.00 64.21 61.87 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 -1.32 -0.16 -0.17 0.44 0.11 -1.26 -2.30 120.40 115.73 1gkg s VAL 1049Ca 0.63 0.31 -0.06 0.00 -2.93 0.00 0.00 61.98 59.93 1gkg s VAL 1049Cb -0.64 -0.23 -0.03 0.00 -1.53 0.00 0.00 36.38 33.94 1gkg s VAL 1049CO 0.58 0.13 0.01 -0.69 -3.33 0.00 0.00 175.10 171.80 1gkg s VAL 1050N 1.87 4.31 -0.24 2.04 1.01 0.99 -4.62 120.40 125.76 1gkg s VAL 1050Ca -0.01 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 1gkg s VAL 1050Cb -0.12 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 1gkg s VAL 1050CO -0.05 0.47 0.18 -0.89 0.00 0.00 0.00 175.10 174.81 1gkg s THR 1051N 0.44 5.34 0.44 3.92 2.01 -0.54 -1.08 115.64 126.18 1gkg s THR 1051Ca -0.00 0.23 -0.23 0.00 0.31 0.00 0.00 61.69 62.00 1gkg s THR 1051Cb -0.13 -3.52 -0.08 0.00 0.01 0.00 0.00 72.50 68.77 1gkg s THR 1051CO 0.02 0.34 1.11 -0.31 -0.69 0.00 0.00 174.62 175.08 1gkg s TYR 1052N 1.08 3.02 0.00 4.92 1.51 -0.47 -0.55 117.35 126.86 1gkg s TYR 1052Ca 0.09 1.58 0.00 0.00 -1.01 0.00 0.00 57.07 57.73 1gkg s TYR 1052Cb -0.14 -3.25 0.00 0.00 -0.11 0.00 0.00 41.96 38.46 1gkg s TYR 1052CO 0.05 -1.12 0.00 -2.13 -1.11 0.00 0.00 175.55 171.24 1gkg n ARG 1053N -0.43 0.32 -1.08 -0.62 0.63 -1.26 -4.84 116.66 109.38 1gkg n ARG 1053Ca 0.07 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.13 1gkg n ARG 1053Cb 0.49 -0.35 -0.07 0.00 0.45 0.00 0.00 32.46 32.98 1gkg n ARG 1053CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1gkg n ASN 1055N -3.77 0.00 -0.94 0.00 3.02 -1.04 -4.40 115.26 108.13 1gkg n ASN 1055Ca -0.07 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.45 1gkg n ASN 1055Cb 0.52 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.65 1gkg n ASN 1055CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1gkg n LEU 1056N 0.00 -0.35 0.00 3.41 4.77 -1.26 -4.73 117.00 118.84 1gkg n LEU 1056Ca 0.00 -1.70 0.00 0.00 -0.03 0.00 0.00 56.01 54.28 1gkg n LEU 1056Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1gkg n LEU 1056CO 0.00 1.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 1gkg n GLY 1057N 0.09 2.17 0.19 -0.72 0.00 -1.26 -2.14 105.19 103.52 1gkg n GLY 1057Ca -0.14 0.39 -0.05 0.00 0.00 0.00 0.00 46.02 46.22 1gkg n GLY 1057CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1gkg h SER 1058N 0.00 -0.46 0.00 1.61 0.02 -1.99 -3.45 113.55 109.28 1gkg h SER 1058Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1gkg h SER 1058Cb 0.00 0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1gkg h SER 1058CO 0.00 -0.16 0.00 -1.14 -1.14 0.00 0.00 176.83 174.39 1gkg n ARG 1059N -5.33 0.00 -1.48 3.45 3.00 -0.91 -5.03 116.66 110.35 1gkg n ARG 1059Ca 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.87 1gkg n ARG 1059Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.71 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 -1.31 -0.49 1.93 5.14 0.00 -1.20 -4.59 105.19 104.67 1gkg n GLY 1060Ca 0.00 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.20 1.98 -4.22 1.61 0.63 -1.26 -4.88 116.66 110.32 1gkg n ARG 1061Ca -0.03 -2.16 -0.34 0.00 -0.92 0.00 0.00 57.85 54.40 1gkg n ARG 1061Cb 0.52 -1.85 -0.07 0.00 0.45 0.00 0.00 32.46 31.52 1gkg n ARG 1061CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1gkg n LYS 1062N -0.47 -1.04 0.08 -0.14 4.81 -1.26 -4.85 118.16 115.28 1gkg n LYS 1062Ca 0.42 0.12 -0.22 0.00 -0.87 0.00 0.00 58.31 57.77 1gkg n LYS 1062Cb 1.06 -3.47 -0.15 0.00 0.02 0.00 0.00 35.03 32.49 1gkg n LYS 1062CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1gkg h VAL 1063N -1.97 0.98 -3.65 3.15 -1.51 -1.90 -3.46 116.25 107.89 1gkg h VAL 1063Ca -0.67 -2.56 -0.50 0.00 -1.23 0.00 0.00 66.70 61.73 1gkg h VAL 1063Cb 1.40 2.78 -0.03 0.00 -2.13 0.00 0.00 31.29 33.31 1gkg h VAL 1063CO 0.66 0.85 0.09 -0.36 -1.23 0.00 0.00 177.57 177.58 1gkg s PHE 1064N -2.59 3.48 -0.05 5.19 0.40 -1.26 -4.99 117.98 118.17 1gkg s PHE 1064Ca -0.15 1.27 0.01 0.00 -0.60 0.00 0.00 56.93 57.47 1gkg s PHE 1064Cb 0.06 -2.56 0.02 0.00 0.51 0.00 0.00 43.02 41.05 1gkg s PHE 1064CO 0.86 0.20 -0.04 -1.21 0.70 0.00 0.00 175.22 175.73 1gkg s GLU 1065N -2.57 0.81 0.33 0.44 2.02 -0.52 -4.93 118.70 114.28 1gkg s GLU 1065Ca 0.49 -0.09 -0.29 0.00 0.02 0.00 0.00 54.97 55.11 1gkg s GLU 1065Cb -0.13 -0.85 -0.10 0.00 0.10 0.00 0.00 34.13 33.15 1gkg s GLU 1065CO 0.19 -0.10 1.26 -1.17 0.02 0.00 0.00 175.26 175.46 1gkg s LEU 1066N 0.99 4.43 -0.20 1.80 0.20 -1.26 -0.71 118.68 123.94 1gkg s LEU 1066Ca -0.10 2.58 -0.03 0.00 0.69 0.00 0.00 54.13 57.27 1gkg s LEU 1066Cb -0.14 -3.67 0.06 0.00 -0.43 0.00 0.00 46.19 42.01 1gkg s LEU 1066CO -0.00 -0.47 0.05 -0.69 -0.29 0.00 0.00 176.35 174.94 1gkg s VAL 1067N -1.16 0.42 0.10 1.68 1.01 -0.66 -4.91 120.40 116.87 1gkg s VAL 1067Ca 0.49 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1gkg s VAL 1067Cb -0.38 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1gkg s VAL 1067CO 0.50 -0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1gkg n GLY 1068N 5.09 -2.83 2.53 4.51 0.00 -1.26 -2.62 105.19 110.60 1gkg n GLY 1068Ca -0.08 -1.33 -0.19 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.13 -0.95 -0.09 1.61 2.13 -1.26 -4.55 120.64 115.40 1gkg n GLU 1069Ca -0.01 0.64 0.07 0.00 0.66 0.00 0.00 57.16 58.52 1gkg n GLU 1069Cb 0.10 -1.06 0.26 0.00 0.27 0.00 0.00 31.44 31.00 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 -0.49 1.54 -3.61 5.31 -0.04 -1.26 -4.54 135.00 131.91 1gkg n PRO 1070Ca -0.08 -0.83 -0.16 0.00 -0.04 0.00 0.00 63.50 62.39 1gkg n PRO 1070Cb 0.36 -1.27 -0.07 0.00 -0.04 0.00 0.00 33.50 32.48 1gkg n PRO 1070CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1gkg s SER 1071N -1.26 -0.49 -0.01 3.54 0.01 -1.26 -1.37 113.70 112.86 1gkg s SER 1071Ca 0.23 0.49 -0.12 0.00 1.31 0.00 0.00 55.95 57.86 1gkg s SER 1071Cb 0.12 0.46 0.02 0.00 0.21 0.00 0.00 66.02 66.82 1gkg s SER 1071CO 0.17 -0.55 0.25 0.27 0.41 0.00 0.00 173.24 173.80 1gkg s ILE 1072N -1.24 0.07 -0.15 1.44 -4.36 -0.24 -4.97 121.20 111.74 1gkg s ILE 1072Ca -0.12 -0.55 -0.28 0.00 -0.26 0.00 0.00 60.65 59.43 1gkg s ILE 1072Cb -0.02 -0.57 0.07 0.00 1.25 0.00 0.00 42.46 43.19 1gkg s ILE 1072CO 0.08 -0.30 0.70 -0.72 0.24 0.00 0.00 174.94 174.94 1gkg s TYR 1073N -1.39 -0.71 0.44 1.37 -0.85 -1.26 -0.01 117.35 114.94 1gkg s TYR 1073Ca -0.14 1.47 -0.25 0.00 -0.52 0.00 0.00 57.07 57.63 1gkg s TYR 1073Cb -0.06 0.35 -0.08 0.00 0.38 0.00 0.00 41.96 42.55 1gkg s TYR 1073CO 0.03 -0.51 1.27 0.00 -1.52 0.00 0.00 175.55 174.82 1gkg n THR 1075N -0.18 0.00 -1.27 0.00 5.66 -1.20 -4.38 114.28 112.91 1gkg n THR 1075Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1gkg n THR 1075Cb 0.45 0.99 0.00 0.00 -1.55 0.00 0.00 70.33 70.22 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 0.00 -7.05 -2.18 1.09 7.64 -1.06 -5.04 113.62 107.02 1gkg n SER 1076Ca 0.00 0.96 -0.02 0.00 1.01 0.00 0.00 58.87 60.82 1gkg n SER 1076Cb 0.06 -3.42 0.04 0.00 -1.01 0.00 0.00 64.21 59.88 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 -0.48 -0.82 0.00 6.43 2.04 -1.18 -5.03 115.26 116.21 1gkg n ASN 1077Ca 0.00 -1.60 0.00 0.00 -0.44 0.00 0.00 54.58 52.54 1gkg n ASN 1077Cb 0.00 0.50 0.00 0.00 -2.53 0.00 0.00 39.78 37.75 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 -0.59 0.00 -3.58 0.53 2.03 -1.26 -5.05 116.55 108.63 1gkg n ASP 1078Ca -0.11 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.19 1gkg n ASP 1078Cb 0.67 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 41.02 1gkg n ASP 1078CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1gkg s ASP 1079N 2.00 -0.95 -1.42 1.67 -1.08 -1.26 -4.95 116.67 110.68 1gkg s ASP 1079Ca 0.00 1.33 -0.09 0.00 -0.52 0.00 0.00 52.55 53.27 1gkg s ASP 1079Cb 0.00 1.99 0.04 0.00 -1.46 0.00 0.00 42.92 43.50 1gkg s ASP 1079CO 0.00 -0.19 1.00 0.00 0.52 0.00 0.00 175.17 176.51 1gkg n GLN 1080N 5.13 -6.26 0.00 4.34 6.02 -1.26 -4.77 117.38 120.58 1gkg n GLN 1080Ca -0.12 0.69 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 1gkg n GLN 1080Cb 0.51 -5.59 0.00 0.00 1.02 0.00 0.00 30.24 26.18 1gkg n GLN 1080CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1gkg n VAL 1081N -4.68 0.00 0.00 5.09 0.31 -1.26 -5.00 118.33 112.78 1gkg n VAL 1081Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1gkg n VAL 1081Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 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 0.33 1.73 1.89 2.92 0.00 -1.25 -2.77 105.19 108.05 1gkg n GLY 1082Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1gkg n GLY 1082CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1gkg n ILE 1083N 0.00 -5.83 0.00 -0.61 5.41 -1.26 -2.58 119.36 114.49 1gkg n ILE 1083Ca 0.00 2.69 0.00 0.00 1.00 0.00 0.00 62.75 66.44 1gkg n ILE 1083Cb 0.00 -3.50 0.00 0.00 -0.71 0.00 0.00 39.64 35.43 1gkg n ILE 1083CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 1gkg n TRP 1084N 0.53 -0.10 -0.08 1.39 7.02 -1.26 -3.26 117.44 121.67 1gkg n TRP 1084Ca 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 1gkg n TRP 1084Cb 0.00 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 1gkg n TRP 1084CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1gkg h SER 1085N 0.00 0.35 0.00 -0.99 0.87 -0.95 -3.39 113.55 109.44 1gkg h SER 1085Ca 0.00 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1gkg h SER 1085Cb 0.00 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1gkg h SER 1085CO 0.00 0.41 0.00 0.61 -0.53 0.00 0.00 176.83 177.32 1gkg n GLY 1086N -0.76 -0.82 0.00 5.77 0.00 -1.26 -5.02 105.19 103.09 1gkg n GLY 1086Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1gkg n GLY 1086CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1gkg n PRO 1087N 0.00 0.00 -3.64 1.61 -0.02 -1.26 -4.55 135.00 127.14 1gkg n PRO 1087Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 1gkg n PRO 1087Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.41 1gkg n PRO 1087CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gkg s ALA 1088N -3.16 -1.73 0.00 3.55 0.00 -1.26 -4.51 121.76 114.65 1gkg s ALA 1088Ca 0.00 2.01 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1gkg s ALA 1088Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.95 1gkg s ALA 1088CO 0.00 -0.33 0.00 -0.35 0.00 0.00 0.00 175.76 175.08 1gkg n PRO 1089N 2.89 3.04 -3.71 0.00 -0.04 -1.26 -5.09 135.00 130.82 1gkg n PRO 1089Ca -0.15 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.18 1gkg n PRO 1089Cb 0.56 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.93 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 0.00 0.61 -0.11 0.54 0.74 -1.08 -5.01 119.66 115.36 1gkg s GLN 1090Ca 0.00 0.38 -0.05 0.00 0.05 0.00 0.00 55.36 55.74 1gkg s GLN 1090Cb 0.00 0.29 -0.04 0.00 1.10 0.00 0.00 33.01 34.36 1gkg s GLN 1090CO 0.00 -0.12 0.08 0.00 -0.55 0.00 0.00 175.29 174.70