#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppq s ALA 958 N 0.00 0.82 0.00 0.62 0.00 -1.26 -4.77 121.76 117.18 1ppq s ALA 958 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1ppq s ALA 958 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1ppq s ALA 958 CO 0.00 0.15 0.00 -1.91 0.00 0.00 0.00 175.76 174.00 1ppq n GLU 959 N 2.27 0.00 -1.15 0.00 0.00 -1.26 -4.81 120.64 115.70 1ppq n GLU 959 Ca -0.17 0.00 0.16 0.00 0.00 0.00 0.00 57.16 57.15 1ppq n GLU 959 Cb 0.56 -2.96 -0.04 0.00 0.00 0.00 0.00 31.44 29.00 1ppq n GLU 959 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ppq n ALA 960 N 0.61 -2.97 -2.08 4.31 0.00 -1.26 -5.03 120.51 114.09 1ppq n ALA 960 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1ppq n ALA 960 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1ppq n ALA 960 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ppq n LYS 961 N -3.78 -5.03 0.00 0.00 4.81 -1.25 -4.88 118.16 108.03 1ppq n LYS 961 Ca 0.01 3.64 0.00 0.00 -0.87 0.00 0.00 58.31 61.08 1ppq n LYS 961 Cb 0.52 -4.15 0.00 0.00 0.02 0.00 0.00 35.03 31.42 1ppq n LYS 961 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ppq n SER 962 N 1.73 0.00 -4.69 3.14 2.88 -1.25 -4.90 113.62 110.54 1ppq n SER 962 Ca 0.00 -0.10 -0.37 0.00 -1.33 0.00 0.00 58.87 57.07 1ppq n SER 962 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1ppq n SER 962 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ppq s LYS 964 N 0.99 4.46 0.28 0.00 -2.85 -1.25 -4.97 119.74 116.40 1ppq s LYS 964 Ca 0.16 1.76 -0.30 0.00 -1.00 0.00 0.00 55.97 56.59 1ppq s LYS 964 Cb -0.14 -3.34 -0.11 0.00 -2.06 0.00 0.00 37.83 32.18 1ppq s LYS 964 CO 0.06 -0.21 1.60 0.95 0.10 0.00 0.00 175.35 177.85 1ppq s THR 965 N 0.87 2.10 0.49 3.79 -4.23 -1.26 -4.75 115.64 112.64 1ppq s THR 965 Ca 0.57 0.08 -0.21 0.00 -1.18 0.00 0.00 61.69 60.95 1ppq s THR 965 Cb -0.29 -3.05 -0.08 0.00 1.34 0.00 0.00 72.50 70.42 1ppq s THR 965 CO 0.30 0.01 1.09 -2.16 -0.54 0.00 0.00 174.62 173.32 1ppq s PRO 966 N -0.29 3.70 0.49 3.99 0.04 -1.26 -5.01 135.00 136.66 1ppq s PRO 966 Ca 0.64 1.53 -0.22 0.00 0.04 0.00 0.00 61.00 62.99 1ppq s PRO 966 Cb -0.48 -2.17 -0.06 0.00 0.04 0.00 0.00 34.50 31.82 1ppq s PRO 966 CO 0.46 -0.54 1.23 -1.25 0.04 0.00 0.00 177.00 176.93 1ppq s PRO 967 N -3.07 3.54 -0.10 0.56 0.04 -1.26 -4.91 135.00 129.81 1ppq s PRO 967 Ca 0.67 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 63.33 1ppq s PRO 967 Cb -0.21 -2.35 -0.08 0.00 0.04 0.00 0.00 34.50 31.90 1ppq s PRO 967 CO 0.25 -0.77 2.09 -0.40 0.04 0.00 0.00 177.00 178.21 1ppq n ASP 968 N -0.69 3.62 -4.59 6.66 5.75 -1.26 -4.89 116.55 121.16 1ppq n ASP 968 Ca 0.08 0.58 -0.34 0.00 -0.01 0.00 0.00 54.79 55.10 1ppq n ASP 968 Cb 0.47 -1.51 0.11 0.00 -1.03 0.00 0.00 41.12 39.16 1ppq n ASP 968 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 1ppq n PRO 969 N 8.03 0.16 -1.75 0.11 -0.02 -1.26 -4.89 135.00 135.38 1ppq n PRO 969 Ca 0.26 0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 1ppq n PRO 969 Cb 0.41 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 1ppq n PRO 969 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ppq s VAL 970 N -2.09 2.05 -1.23 -1.45 0.11 -1.26 -1.59 120.40 114.93 1ppq s VAL 970 Ca 0.69 0.04 -0.01 0.00 -2.93 0.00 0.00 61.98 59.77 1ppq s VAL 970 Cb -0.30 -3.02 0.00 0.00 -1.53 0.00 0.00 36.38 31.53 1ppq s VAL 970 CO 0.55 0.00 0.05 0.59 -3.33 0.00 0.00 175.10 172.96 1ppq n ASN 971 N 3.45 -4.38 -1.18 3.54 3.02 -1.26 -4.63 115.26 113.82 1ppq n ASN 971 Ca 0.14 0.10 -0.01 0.00 -0.03 0.00 0.00 54.58 54.78 1ppq n ASN 971 Cb 0.36 -3.69 -0.00 0.00 -0.61 0.00 0.00 39.78 35.84 1ppq n ASN 971 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ppq n GLY 972 N -0.89 2.76 3.61 7.41 0.00 -0.62 -0.70 105.19 116.75 1ppq n GLY 972 Ca -0.16 -1.31 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 1ppq n GLY 972 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ppq s MET 973 N -2.06 0.81 0.19 1.61 0.23 -1.11 -4.31 119.30 114.66 1ppq s MET 973 Ca 0.02 0.79 -0.17 0.00 -1.03 0.00 0.00 55.69 55.30 1ppq s MET 973 Cb -0.00 0.39 -0.08 0.00 -1.53 0.00 0.00 34.83 33.62 1ppq s MET 973 CO 0.02 -0.13 0.65 0.54 -2.03 0.00 0.00 175.02 174.06 1ppq s VAL 974 N 0.06 4.69 -0.08 5.16 0.11 -1.26 -2.19 120.40 126.89 1ppq s VAL 974 Ca -0.01 1.10 0.04 0.00 -2.93 0.00 0.00 61.98 60.18 1ppq s VAL 974 Cb -0.04 -3.81 0.00 0.00 -1.53 0.00 0.00 36.38 31.00 1ppq s VAL 974 CO 0.01 0.24 -0.21 -1.00 -3.33 0.00 0.00 175.10 170.81 1ppq s HIS 975 N -1.48 2.25 -0.10 1.54 3.76 -0.54 -4.98 115.29 115.74 1ppq s HIS 975 Ca 0.40 -0.86 -0.18 0.00 -0.15 0.00 0.00 55.06 54.27 1ppq s HIS 975 Cb -0.16 -1.52 -0.04 0.00 1.11 0.00 0.00 32.58 31.97 1ppq s HIS 975 CO 0.20 -0.35 0.49 0.54 -0.85 0.00 0.00 174.74 174.78 1ppq s VAL 976 N 0.33 5.15 -0.06 -0.90 0.11 -1.26 -2.34 120.40 121.43 1ppq s VAL 976 Ca -0.15 0.99 -0.25 0.00 -2.93 0.00 0.00 61.98 59.64 1ppq s VAL 976 Cb -0.17 -3.83 -0.24 0.00 -1.53 0.00 0.00 36.38 30.61 1ppq s VAL 976 CO 0.07 0.34 1.00 0.40 -3.33 0.00 0.00 175.10 173.59 1ppq h ILE 977 N 4.62 1.57 0.00 7.04 1.08 -1.94 -3.47 117.51 126.41 1ppq h ILE 977 Ca -0.42 -1.97 0.00 0.00 -0.39 0.00 0.00 64.86 62.08 1ppq h ILE 977 Cb 1.18 2.83 0.00 0.00 -3.07 0.00 0.00 36.82 37.76 1ppq h ILE 977 CO 0.74 0.54 0.00 0.35 -0.69 0.00 0.00 178.15 179.09 1ppq n THR 978 N -4.53 0.00 -4.06 -0.27 -2.24 -1.26 -5.14 114.28 96.79 1ppq n THR 978 Ca -0.10 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.58 1ppq n THR 978 Cb 0.50 -0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 68.37 1ppq n THR 978 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ppq s ASP 979 N -4.30 0.10 -0.42 3.42 1.11 -1.26 -5.04 116.67 110.27 1ppq s ASP 979 Ca 0.00 -1.11 0.02 0.00 0.18 0.00 0.00 52.55 51.64 1ppq s ASP 979 Cb 0.00 0.55 0.53 0.00 1.07 0.00 0.00 42.92 45.07 1ppq s ASP 979 CO 0.00 -1.10 1.84 -0.38 1.18 0.00 0.00 175.17 176.71 1ppq n ILE 980 N -0.38 2.99 -3.09 0.77 5.41 -1.26 -4.88 119.36 118.92 1ppq n ILE 980 Ca -0.00 -1.84 -0.36 0.00 1.00 0.00 0.00 62.75 61.55 1ppq n ILE 980 Cb 0.63 -0.70 -0.06 0.00 -0.71 0.00 0.00 39.64 38.80 1ppq n ILE 980 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1ppq s GLN 981 N -2.90 4.27 0.24 0.38 -0.21 -1.26 -3.81 119.66 116.37 1ppq s GLN 981 Ca 0.50 0.89 -0.31 0.00 0.02 0.00 0.00 55.36 56.45 1ppq s GLN 981 Cb 0.41 -2.88 -0.12 0.00 1.00 0.00 0.00 33.01 31.42 1ppq s GLN 981 CO 0.07 0.39 1.58 1.55 -2.12 0.00 0.00 175.29 176.77 1ppq n VAL 982 N 0.73 0.62 0.00 1.09 3.14 -1.26 -2.20 118.33 120.45 1ppq n VAL 982 Ca -0.02 -0.16 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1ppq n VAL 982 Cb 0.51 -1.80 0.00 0.00 -1.06 0.00 0.00 33.84 31.49 1ppq n VAL 982 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ppq n GLY 983 N 2.76 0.48 3.97 7.55 0.00 -1.23 -4.90 105.19 113.82 1ppq n GLY 983 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1ppq n GLY 983 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ppq s SER 984 N -2.05 3.77 -0.37 1.61 0.01 -0.94 -4.96 113.70 110.77 1ppq s SER 984 Ca 0.00 -0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.19 1ppq s SER 984 Cb 0.00 -0.11 0.16 0.00 0.21 0.00 0.00 66.02 66.28 1ppq s SER 984 CO 0.00 -2.27 0.39 -0.60 0.41 0.00 0.00 173.24 171.16 1ppq s ARG 985 N -5.48 0.63 1.06 12.44 3.52 -1.26 -3.77 118.95 126.09 1ppq s ARG 985 Ca 0.70 -0.77 -0.18 0.00 -0.13 0.00 0.00 55.73 55.36 1ppq s ARG 985 Cb -0.04 -0.66 0.24 0.00 -1.56 0.00 0.00 34.95 32.93 1ppq s ARG 985 CO 0.48 -1.18 1.28 0.96 -0.81 0.00 0.00 175.30 176.03 1ppq s ILE 986 N 1.53 1.86 0.15 4.11 -4.36 -1.25 -4.75 121.20 118.49 1ppq s ILE 986 Ca 0.16 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.56 1ppq s ILE 986 Cb -0.14 -2.85 -0.04 0.00 1.25 0.00 0.00 42.46 40.67 1ppq s ILE 986 CO -0.06 0.00 0.01 -0.89 0.24 0.00 0.00 174.94 174.24 1ppq s THR 987 N -3.66 0.47 0.21 8.37 2.01 -0.99 -2.82 115.64 119.23 1ppq s THR 987 Ca 0.75 -1.94 0.10 0.00 0.31 0.00 0.00 61.69 60.90 1ppq s THR 987 Cb -0.04 -2.02 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 1ppq s THR 987 CO 0.54 -0.54 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.43 1ppq s TYR 988 N -3.79 2.01 0.26 4.92 1.51 -1.26 -1.46 117.35 119.53 1ppq s TYR 988 Ca 0.22 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.85 1ppq s TYR 988 Cb 0.07 -0.95 -0.03 0.00 -0.11 0.00 0.00 41.96 40.93 1ppq s TYR 988 CO 0.02 0.46 0.23 0.45 -1.11 0.00 0.00 175.55 175.60 1ppq s SER 989 N -3.00 0.69 0.30 2.29 0.15 -0.93 -4.91 113.70 108.29 1ppq s SER 989 Ca 0.21 -1.48 -0.19 0.00 0.70 0.00 0.00 55.95 55.19 1ppq s SER 989 Cb -0.05 0.47 0.02 0.00 -1.71 0.00 0.00 66.02 64.76 1ppq s SER 989 CO 0.09 -0.97 0.71 0.00 1.20 0.00 0.00 173.24 174.27 1ppq n THR 991 N -0.47 3.45 -1.70 0.00 -2.24 0.12 -4.84 114.28 108.61 1ppq n THR 991 Ca -0.05 -0.50 -0.42 0.00 -2.27 0.00 0.00 64.05 60.81 1ppq n THR 991 Cb 0.59 -1.38 -0.03 0.00 -2.10 0.00 0.00 70.33 67.42 1ppq n THR 991 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ppq s THR 992 N -1.36 3.08 0.00 4.28 2.01 -1.26 -1.79 115.64 120.60 1ppq s THR 992 Ca 0.71 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.80 1ppq s THR 992 Cb -0.45 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 68.99 1ppq s THR 992 CO 0.50 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.03 1ppq n GLY 993 N 4.75 1.24 3.42 4.40 0.00 -1.26 -5.02 105.19 112.72 1ppq n GLY 993 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1ppq n GLY 993 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ppq s HIS 994 N -2.00 3.06 0.19 1.61 4.02 -0.74 -0.86 115.29 120.58 1ppq s HIS 994 Ca 0.00 -0.52 -0.27 0.00 1.02 0.00 0.00 55.06 55.29 1ppq s HIS 994 Cb 0.00 -2.21 -0.08 0.00 -1.02 0.00 0.00 32.58 29.26 1ppq s HIS 994 CO 0.00 -0.39 0.84 0.50 1.02 0.00 0.00 174.74 176.71 1ppq s ARG 995 N 1.58 4.68 -0.28 1.40 6.06 -1.26 -4.78 118.95 126.36 1ppq s ARG 995 Ca 0.06 1.29 -0.29 0.00 -2.50 0.00 0.00 55.73 54.29 1ppq s ARG 995 Cb -0.15 -3.27 -0.02 0.00 0.06 0.00 0.00 34.95 31.58 1ppq s ARG 995 CO 0.02 0.55 1.55 -1.17 -2.50 0.00 0.00 175.30 173.76 1ppq s LEU 996 N -1.16 3.80 -1.40 -0.88 1.98 -1.26 -3.83 118.68 115.93 1ppq s LEU 996 Ca 0.38 1.39 -0.13 0.00 -2.89 0.00 0.00 54.13 52.88 1ppq s LEU 996 Cb -0.24 -3.53 0.08 0.00 0.66 0.00 0.00 46.19 43.15 1ppq s LEU 996 CO 0.28 -1.30 2.10 -0.38 -1.89 0.00 0.00 176.35 175.16 1ppq n ILE 997 N 6.59 3.73 0.00 6.68 2.08 -0.92 -4.67 119.36 132.85 1ppq n ILE 997 Ca 0.18 -3.47 0.00 0.00 0.56 0.00 0.00 62.75 60.02 1ppq n ILE 997 Cb 0.46 -2.53 0.00 0.00 -0.75 0.00 0.00 39.64 36.82 1ppq n ILE 997 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ppq n GLY 998 N 3.80 -0.09 0.00 7.39 0.00 -1.26 -4.13 105.19 110.91 1ppq n GLY 998 Ca 0.48 0.56 0.00 0.00 0.00 0.00 0.00 46.02 47.06 1ppq n GLY 998 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ppq n HIS 999 N 0.00 0.00 -2.08 1.61 8.25 -1.26 -5.00 115.22 116.74 1ppq n HIS 999 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1ppq n HIS 999 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 1ppq n HIS 999 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ppq n SER 1000N -0.93 -5.79 -3.63 0.41 7.64 -1.26 -4.91 113.62 105.15 1ppq n SER 1000Ca 0.00 0.20 -0.05 0.00 1.01 0.00 0.00 58.87 60.02 1ppq n SER 1000Cb 0.00 -4.93 -0.01 0.00 -1.01 0.00 0.00 64.21 58.27 1ppq n SER 1000CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ppq s SER 1001N -2.35 -0.16 0.13 6.43 1.04 -1.26 -4.00 113.70 113.53 1ppq s SER 1001Ca 0.00 -0.62 -0.14 0.00 0.48 0.00 0.00 55.95 55.67 1ppq s SER 1001Cb 0.00 0.63 0.02 0.00 0.10 0.00 0.00 66.02 66.78 1ppq s SER 1001CO 0.00 -1.19 0.36 0.00 0.98 0.00 0.00 173.24 173.39 1ppq s ALA 1002N -3.26 -0.72 -0.17 5.32 0.00 -1.13 -4.60 121.76 117.20 1ppq s ALA 1002Ca 0.13 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 1ppq s ALA 1002Cb -0.04 0.68 0.08 0.00 0.00 0.00 0.00 23.12 23.85 1ppq s ALA 1002CO 0.06 -0.63 0.22 -2.00 0.00 0.00 0.00 175.76 173.40 1ppq s GLU 1003N -3.84 0.16 -0.54 0.00 2.12 -1.26 -3.80 118.70 111.54 1ppq s GLU 1003Ca 0.05 0.36 -0.26 0.00 0.36 0.00 0.00 54.97 55.48 1ppq s GLU 1003Cb 0.02 -0.85 -0.05 0.00 0.26 0.00 0.00 34.13 33.51 1ppq s GLU 1003CO -0.10 -0.54 2.23 0.00 -0.54 0.00 0.00 175.26 176.32 1ppq s ILE 1005N 11.27 1.62 -0.15 0.00 -4.36 -0.88 -3.48 121.20 125.22 1ppq s ILE 1005Ca 0.87 -0.88 -0.24 0.00 -0.26 0.00 0.00 60.65 60.15 1ppq s ILE 1005Cb -0.15 -1.35 -0.02 0.00 1.25 0.00 0.00 42.46 42.18 1ppq s ILE 1005CO 0.24 0.46 0.76 -0.76 0.24 0.00 0.00 174.94 175.87 1ppq s LEU 1006N -0.47 4.20 -0.13 0.37 1.02 -1.26 -2.03 118.68 120.38 1ppq s LEU 1006Ca 0.08 1.10 0.11 0.00 0.02 0.00 0.00 54.13 55.44 1ppq s LEU 1006Cb -0.08 -3.12 0.55 0.00 0.02 0.00 0.00 46.19 43.56 1ppq s LEU 1006CO -0.01 -0.30 1.38 -1.54 0.02 0.00 0.00 176.35 175.90 1ppq n SER 1007N 4.83 4.04 0.00 2.29 3.41 -0.90 -4.96 113.62 122.33 1ppq n SER 1007Ca 0.02 -2.53 0.00 0.00 -0.26 0.00 0.00 58.87 56.10 1ppq n SER 1007Cb 0.50 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 1ppq n SER 1007CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ppq n GLY 1008N 0.61 1.50 0.55 5.00 0.00 -1.26 -4.73 105.19 106.85 1ppq n GLY 1008Ca 0.19 -0.50 0.05 0.00 0.00 0.00 0.00 46.02 45.76 1ppq n GLY 1008CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ppq n ASN 1009N 0.00 2.69 -3.66 1.61 4.13 -1.26 -4.93 115.26 113.84 1ppq n ASN 1009Ca 0.00 -1.92 -0.12 0.00 1.68 0.00 0.00 54.58 54.22 1ppq n ASN 1009Cb 0.00 -0.18 -0.12 0.00 -1.54 0.00 0.00 39.78 37.94 1ppq n ASN 1009CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1ppq s THR 1010N -0.98 -0.47 -0.07 3.41 2.01 -1.26 -5.14 115.64 113.13 1ppq s THR 1010Ca 0.19 0.25 -0.18 0.00 0.31 0.00 0.00 61.69 62.26 1ppq s THR 1010Cb 0.10 -0.50 -0.05 0.00 0.01 0.00 0.00 72.50 72.07 1ppq s THR 1010CO 0.14 0.10 0.50 0.00 -0.69 0.00 0.00 174.62 174.67 1ppq s ALA 1011N 2.47 3.51 0.27 7.40 0.00 -1.26 -2.11 121.76 132.04 1ppq s ALA 1011Ca 0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 51.96 51.78 1ppq s ALA 1011Cb -0.12 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.35 1ppq s ALA 1011CO -0.10 0.10 0.39 -3.38 0.00 0.00 0.00 175.76 172.77 1ppq s HIS 1012N 0.20 0.85 0.03 0.00 -3.43 -0.86 -3.85 115.29 108.23 1ppq s HIS 1012Ca 0.27 -1.11 -0.25 0.00 -0.80 0.00 0.00 55.06 53.17 1ppq s HIS 1012Cb -0.16 -0.12 -0.05 0.00 -1.43 0.00 0.00 32.58 30.82 1ppq s HIS 1012CO 0.12 -0.95 0.75 -1.58 -2.00 0.00 0.00 174.74 171.08 1ppq s TRP 1013N -3.70 3.71 -0.05 0.38 0.52 -1.26 -2.07 118.94 116.47 1ppq s TRP 1013Ca 0.30 1.43 0.30 0.00 0.02 0.00 0.00 56.10 58.15 1ppq s TRP 1013Cb 0.01 -2.81 1.40 0.00 -1.15 0.00 0.00 33.47 30.92 1ppq s TRP 1013CO 0.14 0.25 1.89 1.03 0.02 0.00 0.00 176.95 180.28 1ppq h SER 1014N 5.84 0.00 -3.15 2.95 0.87 -1.87 -3.43 113.55 114.76 1ppq h SER 1014Ca -0.44 0.00 -0.59 0.00 -1.23 0.00 0.00 61.79 59.53 1ppq h SER 1014Cb 1.20 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.11 1ppq h SER 1014CO 0.71 0.00 -0.13 0.28 -0.53 0.00 0.00 176.83 177.16 1ppq s THR 1015N -3.62 4.96 0.64 2.23 -1.32 -1.26 -5.00 115.64 112.27 1ppq s THR 1015Ca 0.00 1.00 -0.13 0.00 -1.21 0.00 0.00 61.69 61.35 1ppq s THR 1015Cb 0.09 -3.80 -0.02 0.00 -1.51 0.00 0.00 72.50 67.26 1ppq s THR 1015CO 0.39 0.52 1.05 -1.59 -2.21 0.00 0.00 174.62 172.78 1ppq s LYS 1016N -0.77 3.21 -0.45 7.08 0.00 -1.26 -4.91 119.74 122.64 1ppq s LYS 1016Ca 0.26 1.03 -0.34 0.00 0.00 0.00 0.00 55.97 56.92 1ppq s LYS 1016Cb -0.17 -2.02 -0.12 0.00 0.00 0.00 0.00 37.83 35.51 1ppq s LYS 1016CO 0.15 -0.89 2.28 -0.35 0.00 0.00 0.00 175.35 176.54 1ppq n PRO 1017N -2.57 0.91 -1.66 1.78 -0.04 -1.26 -4.88 135.00 127.28 1ppq n PRO 1017Ca 0.08 0.21 -0.37 0.00 -0.04 0.00 0.00 63.50 63.37 1ppq n PRO 1017Cb 0.53 -2.46 0.07 0.00 -0.04 0.00 0.00 33.50 31.60 1ppq n PRO 1017CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1ppq n PRO 1018N 8.33 0.98 -4.47 0.54 -0.02 -1.26 -5.04 135.00 134.06 1ppq n PRO 1018Ca 0.44 0.39 -0.23 0.00 -2.02 0.00 0.00 63.50 62.08 1ppq n PRO 1018Cb 0.24 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.21 1ppq n PRO 1018CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ppq s ILE 1019N -1.47 1.84 -0.18 4.25 -1.09 -1.26 -4.61 121.20 118.68 1ppq s ILE 1019Ca 0.80 -2.15 0.01 0.00 -2.23 0.00 0.00 60.65 57.08 1ppq s ILE 1019Cb -0.38 -2.54 0.04 0.00 -1.58 0.00 0.00 42.46 37.99 1ppq s ILE 1019CO 0.43 -0.25 -0.12 0.00 -1.23 0.00 0.00 174.94 173.77 1ppq h GLN 1021N 7.99 0.00 -4.16 0.00 3.07 -1.91 -3.49 115.11 116.62 1ppq h GLN 1021Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.42 1ppq h GLN 1021Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.67 1ppq h GLN 1021CO 0.50 0.00 -0.84 -2.13 0.09 0.00 0.00 178.83 176.45 1ppq n ARG 1022N -2.52 -4.66 -4.57 0.06 0.63 -1.26 -5.00 116.66 99.33 1ppq n ARG 1022Ca 0.04 3.41 -0.33 0.00 -0.92 0.00 0.00 57.85 60.05 1ppq n ARG 1022Cb 0.48 -3.97 -0.15 0.00 0.45 0.00 0.00 32.46 29.27 1ppq n ARG 1022CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1ppq s ILE 1023N -0.49 2.85 -1.61 5.15 1.01 -0.04 -4.97 121.20 123.11 1ppq s ILE 1023Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1ppq s ILE 1023Cb 0.00 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.26 1ppq s ILE 1023CO 0.00 0.51 0.40 -2.65 0.00 0.00 0.00 174.94 173.20