#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 2.03 0.12 0.62 0.00 -1.26 -5.13 121.76 118.13 1ppq s ALA 958 Ca 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 1ppq s ALA 958 Cb 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 23.12 22.47 1ppq s ALA 958 CO 0.00 0.43 0.37 -2.00 0.00 0.00 0.00 175.76 174.55 1ppq s GLU 959 N -0.28 3.64 0.56 0.00 2.12 -1.26 -4.98 118.70 118.51 1ppq s GLU 959 Ca 0.01 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.30 1ppq s GLU 959 Cb -0.12 -2.90 0.00 0.00 0.26 0.00 0.00 34.13 31.37 1ppq s GLU 959 CO 0.02 0.50 0.00 0.00 -0.54 0.00 0.00 175.26 175.24 1ppq n ALA 960 N 0.36 -3.16 -3.39 6.30 0.00 -1.26 -4.99 120.51 114.38 1ppq n ALA 960 Ca -0.04 0.38 -0.15 0.00 0.00 0.00 0.00 53.44 53.63 1ppq n ALA 960 Cb 0.52 -1.09 -0.08 0.00 0.00 0.00 0.00 19.45 18.80 1ppq n ALA 960 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ppq s LYS 961 N -1.89 0.76 -0.30 0.00 0.00 -1.26 -5.13 119.74 111.92 1ppq s LYS 961 Ca 0.00 0.27 -0.13 0.00 0.00 0.00 0.00 55.97 56.11 1ppq s LYS 961 Cb 0.00 0.36 0.16 0.00 0.00 0.00 0.00 37.83 38.35 1ppq s LYS 961 CO 0.00 -0.19 0.92 0.45 0.00 0.00 0.00 175.35 176.54 1ppq s SER 962 N -0.70 -0.70 0.73 0.03 0.15 -1.26 -4.27 113.70 107.67 1ppq s SER 962 Ca -0.08 0.84 -0.13 0.00 0.70 0.00 0.00 55.95 57.28 1ppq s SER 962 Cb -0.03 1.75 0.04 0.00 -1.71 0.00 0.00 66.02 66.06 1ppq s SER 962 CO 0.05 -0.13 1.11 0.00 1.20 0.00 0.00 173.24 175.47 1ppq s LYS 964 N -4.44 4.19 0.23 0.00 1.02 -1.25 -4.90 119.74 114.58 1ppq s LYS 964 Ca 0.65 1.15 -0.32 0.00 0.02 0.00 0.00 55.97 57.48 1ppq s LYS 964 Cb -0.20 -3.66 -0.14 0.00 -0.52 0.00 0.00 37.83 33.31 1ppq s LYS 964 CO 0.49 -0.66 1.40 0.25 -0.92 0.00 0.00 175.35 175.92 1ppq n THR 965 N 5.42 0.86 -2.33 2.17 -2.24 -1.26 -4.73 114.28 112.17 1ppq n THR 965 Ca 0.10 -0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 1ppq n THR 965 Cb 0.47 -1.43 -0.03 0.00 -2.10 0.00 0.00 70.33 67.24 1ppq n THR 965 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1ppq s PRO 966 N -0.30 4.32 0.52 -0.78 0.04 -1.26 -4.99 135.00 132.55 1ppq s PRO 966 Ca 0.69 1.84 -0.21 0.00 0.04 0.00 0.00 61.00 63.36 1ppq s PRO 966 Cb -0.67 -3.54 -0.08 0.00 0.04 0.00 0.00 34.50 30.26 1ppq s PRO 966 CO 0.49 -0.50 0.97 -2.30 0.04 0.00 0.00 177.00 175.70 1ppq n PRO 967 N 5.15 1.12 -1.67 0.56 -0.02 -1.26 -4.85 135.00 134.03 1ppq n PRO 967 Ca 0.12 0.42 -0.44 0.00 -2.02 0.00 0.00 63.50 61.57 1ppq n PRO 967 Cb 0.45 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 1ppq n PRO 967 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1ppq n ASP 968 N -0.09 3.89 -4.16 2.55 5.75 -1.26 -4.97 116.55 118.26 1ppq n ASP 968 Ca 0.11 0.93 -0.30 0.00 -0.01 0.00 0.00 54.79 55.53 1ppq n ASP 968 Cb 0.44 -1.47 0.20 0.00 -1.03 0.00 0.00 41.12 39.26 1ppq n ASP 968 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 1ppq s PRO 969 N 4.20 -0.21 0.05 0.11 0.04 -1.26 -4.97 135.00 132.97 1ppq s PRO 969 Ca 0.90 -0.01 -0.31 0.00 0.04 0.00 0.00 61.00 61.62 1ppq s PRO 969 Cb -0.54 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 1ppq s PRO 969 CO 0.45 -3.05 1.32 0.54 0.04 0.00 0.00 177.00 176.31 1ppq s VAL 970 N -3.24 3.72 -1.70 -0.36 0.11 -1.26 -2.83 120.40 114.84 1ppq s VAL 970 Ca 0.70 1.19 0.00 0.00 -2.93 0.00 0.00 61.98 60.94 1ppq s VAL 970 Cb -0.10 -3.76 0.00 0.00 -1.53 0.00 0.00 36.38 30.98 1ppq s VAL 970 CO 0.55 0.05 0.00 0.59 -3.33 0.00 0.00 175.10 172.97 1ppq n ASN 971 N 4.50 -4.50 -3.49 3.54 3.02 -1.26 -4.84 115.26 112.23 1ppq n ASN 971 Ca 0.11 0.35 -0.19 0.00 -0.03 0.00 0.00 54.58 54.82 1ppq n ASN 971 Cb 0.44 -4.01 -0.08 0.00 -0.61 0.00 0.00 39.78 35.52 1ppq n ASN 971 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ppq s GLY 972 N -2.34 2.29 0.28 7.41 0.00 -1.13 0.02 107.32 113.86 1ppq s GLY 972 Ca 0.00 -1.97 -0.11 0.00 0.00 0.00 0.00 44.72 42.64 1ppq s GLY 972 CO 0.00 -1.50 0.52 -3.16 0.00 0.00 0.00 173.10 168.96 1ppq s MET 973 N -3.53 1.71 0.02 2.90 0.23 -1.14 -4.15 119.30 115.35 1ppq s MET 973 Ca 0.39 -1.37 0.02 0.00 -1.03 0.00 0.00 55.69 53.70 1ppq s MET 973 Cb 0.03 0.49 -0.02 0.00 -1.53 0.00 0.00 34.83 33.80 1ppq s MET 973 CO 0.25 -0.72 -0.06 0.54 -2.03 0.00 0.00 175.02 173.00 1ppq s VAL 974 N -3.63 0.40 0.05 5.16 0.11 -1.26 -3.59 120.40 117.64 1ppq s VAL 974 Ca 0.23 -0.70 0.06 0.00 -2.93 0.00 0.00 61.98 58.64 1ppq s VAL 974 Cb -0.01 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.38 1ppq s VAL 974 CO 0.12 -0.21 -0.16 -1.00 -3.33 0.00 0.00 175.10 170.52 1ppq s HIS 975 N -0.88 1.42 -0.38 1.54 3.76 -1.24 -5.08 115.29 114.44 1ppq s HIS 975 Ca -0.06 -0.37 -0.16 0.00 -0.15 0.00 0.00 55.06 54.32 1ppq s HIS 975 Cb -0.07 -0.84 0.00 0.00 1.11 0.00 0.00 32.58 32.79 1ppq s HIS 975 CO 0.00 0.06 0.38 0.08 -0.85 0.00 0.00 174.74 174.41 1ppq s VAL 976 N -0.88 5.15 0.01 -0.90 1.01 -1.26 -3.41 120.40 120.12 1ppq s VAL 976 Ca 0.03 -0.21 -0.21 0.00 0.00 0.00 0.00 61.98 61.59 1ppq s VAL 976 Cb -0.08 -3.92 -0.19 0.00 0.00 0.00 0.00 36.38 32.19 1ppq s VAL 976 CO 0.02 -0.25 1.19 0.40 0.00 0.00 0.00 175.10 176.46 1ppq h ILE 977 N 5.62 1.42 0.00 2.22 1.08 -1.95 -3.46 117.51 122.45 1ppq h ILE 977 Ca -0.28 -1.72 0.00 0.00 -0.39 0.00 0.00 64.86 62.46 1ppq h ILE 977 Cb 1.13 2.31 0.00 0.00 -3.07 0.00 0.00 36.82 37.19 1ppq h ILE 977 CO 0.74 0.50 0.00 0.41 -0.69 0.00 0.00 178.15 179.10 1ppq n THR 978 N -4.41 0.00 -4.16 -0.27 -1.04 -1.26 -5.12 114.28 98.02 1ppq n THR 978 Ca -0.08 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.80 1ppq n THR 978 Cb 0.50 -0.23 -0.05 0.00 -1.82 0.00 0.00 70.33 68.73 1ppq n THR 978 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ppq n ASP 979 N -2.45 -0.54 -0.00 8.00 8.00 -1.26 -5.06 116.55 123.23 1ppq n ASP 979 Ca 0.00 -2.46 0.05 0.00 0.71 0.00 0.00 54.79 53.08 1ppq n ASP 979 Cb 0.00 1.21 -0.06 0.00 -0.02 0.00 0.00 41.12 42.25 1ppq n ASP 979 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1ppq n ILE 980 N -0.43 0.00 -1.05 0.53 5.41 -1.26 -4.68 119.36 117.89 1ppq n ILE 980 Ca 0.05 -0.26 -0.29 0.00 1.00 0.00 0.00 62.75 63.24 1ppq n ILE 980 Cb 0.41 1.00 0.22 0.00 -0.71 0.00 0.00 39.64 40.56 1ppq n ILE 980 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ppq s GLN 981 N -1.96 -0.78 0.38 0.38 -2.07 -1.26 -2.44 119.66 111.91 1ppq s GLN 981 Ca 0.04 0.17 -0.27 0.00 -1.82 0.00 0.00 55.36 53.48 1ppq s GLN 981 Cb 0.08 -1.63 -0.09 0.00 -1.09 0.00 0.00 33.01 30.28 1ppq s GLN 981 CO 0.42 -3.47 1.32 0.08 -1.32 0.00 0.00 175.29 172.32 1ppq s VAL 982 N -2.93 2.61 0.00 3.63 1.01 -1.26 -2.48 120.40 120.98 1ppq s VAL 982 Ca 0.69 0.57 0.00 0.00 0.00 0.00 0.00 61.98 63.24 1ppq s VAL 982 Cb -0.14 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1ppq s VAL 982 CO 0.57 0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.39 1ppq n GLY 983 N 0.69 1.50 3.79 4.51 0.00 -1.21 -5.04 105.19 109.44 1ppq n GLY 983 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.03 6.74 -0.24 1.61 0.01 -1.04 -5.00 113.70 113.75 1ppq s SER 984 Ca 0.00 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.14 1ppq s SER 984 Cb 0.00 -2.25 0.04 0.00 0.21 0.00 0.00 66.02 64.01 1ppq s SER 984 CO 0.00 0.22 -0.10 -0.60 0.41 0.00 0.00 173.24 173.17 1ppq s ARG 985 N -0.47 2.65 0.58 12.44 3.52 -1.26 -2.97 118.95 133.44 1ppq s ARG 985 Ca 0.24 -1.08 0.04 0.00 -0.13 0.00 0.00 55.73 54.79 1ppq s ARG 985 Cb -0.16 -2.89 0.07 0.00 -1.56 0.00 0.00 34.95 30.41 1ppq s ARG 985 CO 0.12 -0.43 0.81 0.96 -0.81 0.00 0.00 175.30 175.94 1ppq s ILE 986 N 1.25 2.46 0.31 4.11 -4.36 -1.10 -4.50 121.20 119.36 1ppq s ILE 986 Ca -0.02 -0.78 0.09 0.00 -0.26 0.00 0.00 60.65 59.68 1ppq s ILE 986 Cb -0.17 -2.68 -0.05 0.00 1.25 0.00 0.00 42.46 40.81 1ppq s ILE 986 CO -0.06 0.00 0.03 -0.89 0.24 0.00 0.00 174.94 174.26 1ppq s THR 987 N -2.78 3.07 -0.16 8.37 2.01 -1.22 -1.96 115.64 122.98 1ppq s THR 987 Ca 0.60 -1.89 -0.07 0.00 0.31 0.00 0.00 61.69 60.65 1ppq s THR 987 Cb -0.08 -2.85 0.07 0.00 0.01 0.00 0.00 72.50 69.65 1ppq s THR 987 CO 0.39 -0.27 0.35 -0.47 -0.69 0.00 0.00 174.62 173.93 1ppq s TYR 988 N -2.41 -0.57 0.30 4.92 5.04 -1.08 -3.63 117.35 119.92 1ppq s TYR 988 Ca 0.34 1.20 -0.07 0.00 -2.44 0.00 0.00 57.07 56.10 1ppq s TYR 988 Cb -0.04 0.17 0.00 0.00 0.35 0.00 0.00 41.96 42.44 1ppq s TYR 988 CO 0.20 -0.37 0.48 0.45 -1.34 0.00 0.00 175.55 174.97 1ppq s SER 989 N 1.99 0.43 0.01 4.32 0.15 -1.24 -3.97 113.70 115.40 1ppq s SER 989 Ca -0.04 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.35 1ppq s SER 989 Cb -0.11 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1ppq s SER 989 CO -0.11 -1.24 0.00 0.00 1.20 0.00 0.00 173.24 173.09 1ppq n THR 991 N -0.02 0.00 0.06 0.00 -2.24 0.10 -4.84 114.28 107.35 1ppq n THR 991 Ca -0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1ppq n THR 991 Cb 0.01 -0.93 -0.02 0.00 -2.10 0.00 0.00 70.33 67.29 1ppq n THR 991 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1ppq h THR 992 N -3.57 0.00 -0.28 4.28 2.02 -2.01 -2.83 112.91 110.52 1ppq h THR 992 Ca -0.37 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 66.61 1ppq h THR 992 Cb 1.25 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.59 1ppq h THR 992 CO 0.22 0.00 0.11 0.61 0.37 0.00 0.00 175.52 176.84 1ppq n GLY 993 N -1.12 3.33 2.78 2.16 0.00 -1.26 -4.73 105.19 106.35 1ppq n GLY 993 Ca -0.03 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.62 -0.14 0.10 1.61 4.02 -1.07 -3.22 115.29 115.98 1ppq s HIS 994 Ca 0.29 0.38 -0.23 0.00 1.02 0.00 0.00 55.06 56.52 1ppq s HIS 994 Cb 0.18 -0.35 -0.07 0.00 -1.02 0.00 0.00 32.58 31.32 1ppq s HIS 994 CO -0.03 -0.37 0.68 0.50 1.02 0.00 0.00 174.74 176.54 1ppq s ARG 995 N 2.27 4.40 -0.40 1.40 3.52 -0.46 -4.19 118.95 125.50 1ppq s ARG 995 Ca 0.04 0.95 -0.28 0.00 -0.13 0.00 0.00 55.73 56.31 1ppq s ARG 995 Cb -0.13 -3.27 -0.01 0.00 -1.56 0.00 0.00 34.95 29.97 1ppq s ARG 995 CO -0.07 0.56 1.73 -1.17 -0.81 0.00 0.00 175.30 175.53 1ppq s LEU 996 N -0.95 3.48 -1.20 -0.88 1.98 -1.26 -2.79 118.68 117.06 1ppq s LEU 996 Ca 0.33 1.02 -0.19 0.00 -2.89 0.00 0.00 54.13 52.41 1ppq s LEU 996 Cb -0.21 -3.33 -0.03 0.00 0.66 0.00 0.00 46.19 43.28 1ppq s LEU 996 CO 0.22 -1.77 1.97 -0.38 -1.89 0.00 0.00 176.35 174.50 1ppq n ILE 997 N 7.31 2.90 0.00 6.68 2.08 -0.58 -4.59 119.36 133.15 1ppq n ILE 997 Ca 0.21 -2.76 0.00 0.00 0.56 0.00 0.00 62.75 60.76 1ppq n ILE 997 Cb 0.48 -2.39 0.00 0.00 -0.75 0.00 0.00 39.64 36.98 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 4.85 -0.32 0.00 7.39 0.00 -1.26 -3.98 105.19 111.87 1ppq n GLY 998 Ca 0.49 0.44 0.08 0.00 0.00 0.00 0.00 46.02 47.03 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 -1.50 1.61 8.25 -1.26 -4.97 115.22 117.35 1ppq n HIS 999 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 1ppq n HIS 999 Cb 0.00 -0.15 -0.07 0.00 1.12 0.00 0.00 29.99 30.89 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 -1.65 -5.43 -3.58 0.41 7.64 -1.26 -4.88 113.62 104.88 1ppq n SER 1000Ca 0.01 0.43 -0.05 0.00 1.01 0.00 0.00 58.87 60.26 1ppq n SER 1000Cb 0.32 -4.54 -0.02 0.00 -1.01 0.00 0.00 64.21 58.95 1ppq n SER 1000CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ppq s SER 1001N -2.61 -0.19 0.20 6.43 0.15 -1.25 -2.63 113.70 113.80 1ppq s SER 1001Ca 0.00 0.03 0.04 0.00 0.70 0.00 0.00 55.95 56.72 1ppq s SER 1001Cb 0.00 0.19 -0.05 0.00 -1.71 0.00 0.00 66.02 64.45 1ppq s SER 1001CO 0.00 -0.30 -0.04 0.00 1.20 0.00 0.00 173.24 174.11 1ppq s ALA 1002N -2.36 1.68 -0.17 5.45 0.00 -0.83 -4.70 121.76 120.83 1ppq s ALA 1002Ca 0.08 -1.67 -0.05 0.00 0.00 0.00 0.00 51.96 50.32 1ppq s ALA 1002Cb -0.01 0.34 0.08 0.00 0.00 0.00 0.00 23.12 23.53 1ppq s ALA 1002CO -0.05 -0.20 0.32 -2.00 0.00 0.00 0.00 175.76 173.83 1ppq s GLU 1003N -3.82 0.23 -0.50 0.00 2.12 -1.26 -2.72 118.70 112.75 1ppq s GLU 1003Ca 0.24 0.78 -0.26 0.00 0.36 0.00 0.00 54.97 56.09 1ppq s GLU 1003Cb 0.05 -0.04 -0.06 0.00 0.26 0.00 0.00 34.13 34.34 1ppq s GLU 1003CO 0.06 -0.34 2.28 0.00 -0.54 0.00 0.00 175.26 176.72 1ppq s ILE 1005N 11.31 1.96 -0.22 0.00 -4.36 -0.75 -3.31 121.20 125.82 1ppq s ILE 1005Ca 0.91 -1.78 -0.07 0.00 -0.26 0.00 0.00 60.65 59.45 1ppq s ILE 1005Cb -0.17 -1.82 -0.03 0.00 1.25 0.00 0.00 42.46 41.68 1ppq s ILE 1005CO 0.25 -0.12 0.06 -0.76 0.24 0.00 0.00 174.94 174.62 1ppq s LEU 1006N -2.29 3.59 -0.21 0.37 1.43 -1.26 -2.57 118.68 117.74 1ppq s LEU 1006Ca 0.13 -0.09 0.23 0.00 -1.03 0.00 0.00 54.13 53.38 1ppq s LEU 1006Cb -0.08 -1.94 0.49 0.00 0.03 0.00 0.00 46.19 44.69 1ppq s LEU 1006CO 0.06 0.06 1.13 -1.54 0.23 0.00 0.00 176.35 176.29 1ppq n SER 1007N 4.31 1.55 0.00 2.29 3.41 -1.26 -5.02 113.62 118.90 1ppq n SER 1007Ca -0.16 -2.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.36 1ppq n SER 1007Cb 0.52 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 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 -0.38 -1.80 0.00 5.00 0.00 -1.26 -4.97 105.19 101.78 1ppq n GLY 1008Ca 0.08 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1ppq n GLY 1008CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ppq n ASN 1009N 0.00 0.00 -3.92 1.61 2.85 -1.26 -5.08 115.26 109.46 1ppq n ASN 1009Ca 0.00 -0.16 -0.30 0.00 -0.11 0.00 0.00 54.58 54.02 1ppq n ASN 1009Cb 0.00 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 40.86 1ppq n ASN 1009CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1ppq s THR 1010N 0.00 1.41 0.20 -0.44 2.01 -1.26 -5.10 115.64 112.46 1ppq s THR 1010Ca 0.00 -1.08 -0.32 0.00 0.31 0.00 0.00 61.69 60.60 1ppq s THR 1010Cb 0.00 -1.67 -0.12 0.00 0.01 0.00 0.00 72.50 70.72 1ppq s THR 1010CO 0.00 -0.06 1.73 0.00 -0.69 0.00 0.00 174.62 175.60 1ppq n ALA 1011N 4.72 2.68 -3.02 7.40 0.00 -1.26 -4.68 120.51 126.35 1ppq n ALA 1011Ca -0.12 0.39 -0.09 0.00 0.00 0.00 0.00 53.44 53.62 1ppq n ALA 1011Cb 0.45 -2.52 -0.06 0.00 0.00 0.00 0.00 19.45 17.32 1ppq n ALA 1011CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1ppq s HIS 1012N 1.33 0.40 0.30 0.00 -3.43 -1.06 -3.88 115.29 108.95 1ppq s HIS 1012Ca 0.76 -0.74 -0.16 0.00 -0.80 0.00 0.00 55.06 54.11 1ppq s HIS 1012Cb -0.51 0.10 -0.09 0.00 -1.43 0.00 0.00 32.58 30.65 1ppq s HIS 1012CO 0.33 -0.91 0.74 -1.58 -2.00 0.00 0.00 174.74 171.33 1ppq s TRP 1013N -4.01 3.43 -2.00 0.38 0.52 -1.26 -1.81 118.94 114.19 1ppq s TRP 1013Ca 0.22 1.27 0.14 0.00 0.02 0.00 0.00 56.10 57.74 1ppq s TRP 1013Cb 0.01 -2.57 0.81 0.00 -1.15 0.00 0.00 33.47 30.57 1ppq s TRP 1013CO 0.07 0.14 1.50 -1.13 0.02 0.00 0.00 176.95 177.54 1ppq n SER 1014N -0.14 0.00 -4.78 2.95 3.41 -1.21 -4.80 113.62 109.05 1ppq n SER 1014Ca 0.02 -1.52 -0.39 0.00 -0.26 0.00 0.00 58.87 56.72 1ppq n SER 1014Cb 0.53 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1ppq n SER 1014CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ppq s THR 1015N -2.00 4.64 0.39 6.66 -4.23 -1.26 -4.98 115.64 114.85 1ppq s THR 1015Ca 0.20 1.48 0.05 0.00 -1.18 0.00 0.00 61.69 62.24 1ppq s THR 1015Cb 0.09 -4.03 -0.00 0.00 1.34 0.00 0.00 72.50 69.90 1ppq s THR 1015CO 0.16 0.48 0.56 -1.59 -0.54 0.00 0.00 174.62 173.68 1ppq s LYS 1016N -0.73 3.02 -0.87 3.99 0.00 -1.26 -4.98 119.74 118.91 1ppq s LYS 1016Ca 0.34 -0.89 -0.34 0.00 0.00 0.00 0.00 55.97 55.08 1ppq s LYS 1016Cb -0.21 -2.72 -0.21 0.00 0.00 0.00 0.00 37.83 34.69 1ppq s LYS 1016CO 0.22 -0.12 2.54 -2.30 0.00 0.00 0.00 175.35 175.69 1ppq n PRO 1017N -1.83 0.00 -2.05 1.78 -0.02 -1.26 -4.85 135.00 126.77 1ppq n PRO 1017Ca 0.02 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.17 1ppq n PRO 1017Cb 0.58 -1.48 0.01 0.00 -0.02 0.00 0.00 33.50 32.59 1ppq n PRO 1017CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ppq s PRO 1018N 8.22 3.31 0.30 0.52 0.04 -1.26 -5.06 135.00 141.06 1ppq s PRO 1018Ca 1.31 1.22 0.07 0.00 0.04 0.00 0.00 61.00 63.64 1ppq s PRO 1018Cb -1.30 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 1ppq s PRO 1018CO 0.52 -0.82 -0.06 0.42 0.04 0.00 0.00 177.00 177.10 1ppq s ILE 1019N -2.43 1.78 -0.09 0.56 1.01 -1.26 -4.89 121.20 115.89 1ppq s ILE 1019Ca 0.64 -2.14 0.01 0.00 0.00 0.00 0.00 60.65 59.16 1ppq s ILE 1019Cb -0.16 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.82 1ppq s ILE 1019CO 0.37 -0.27 -0.11 0.00 0.00 0.00 0.00 174.94 174.93 1ppq s GLN 1021N 1.05 2.02 -0.03 0.00 0.74 -1.12 -4.91 119.66 117.41 1ppq s GLN 1021Ca -0.07 -0.54 -0.31 0.00 0.05 0.00 0.00 55.36 54.49 1ppq s GLN 1021Cb -0.15 -1.62 -0.09 0.00 1.10 0.00 0.00 33.01 32.25 1ppq s GLN 1021CO -0.01 0.08 1.99 -2.13 -0.55 0.00 0.00 175.29 174.67 1ppq n ARG 1022N 3.70 2.59 0.00 1.67 0.63 -1.25 -1.36 116.66 122.63 1ppq n ARG 1022Ca -0.22 0.93 -0.13 0.00 -0.92 0.00 0.00 57.85 57.51 1ppq n ARG 1022Cb 0.52 -2.95 -0.09 0.00 0.45 0.00 0.00 32.46 30.40 1ppq n ARG 1022CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1ppq h ILE 1023N 5.80 1.27 0.00 5.15 2.04 -1.92 -3.48 117.51 126.36 1ppq h ILE 1023Ca -0.48 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 64.59 1ppq h ILE 1023Cb 1.25 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 1ppq h ILE 1023CO 0.95 0.20 0.00 -2.65 0.00 0.00 0.00 178.15 176.65