#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ppq n ALA 958 N 0.00 -0.99 -2.90 4.31 0.00 -1.26 -4.99 120.51 114.69 1ppq n ALA 958 Ca 0.00 0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.49 1ppq n ALA 958 Cb 0.00 -0.34 0.01 0.00 0.00 0.00 0.00 19.45 19.12 1ppq n ALA 958 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ppq n GLU 959 N -2.53 -2.60 -2.32 0.00 -0.58 -1.26 -4.80 120.64 106.55 1ppq n GLU 959 Ca 0.00 2.21 -0.34 0.00 -0.42 0.00 0.00 57.16 58.61 1ppq n GLU 959 Cb 0.17 -4.79 -0.04 0.00 -0.57 0.00 0.00 31.44 26.21 1ppq n GLU 959 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ppq s ALA 960 N -1.97 2.26 -0.23 0.62 0.00 -1.26 -4.93 121.76 116.24 1ppq s ALA 960 Ca 0.14 -1.98 -0.02 0.00 0.00 0.00 0.00 51.96 50.10 1ppq s ALA 960 Cb -0.03 -4.56 0.02 0.00 0.00 0.00 0.00 23.12 18.54 1ppq s ALA 960 CO 0.72 -4.20 -0.07 0.21 0.00 0.00 0.00 175.76 172.42 1ppq s LYS 961 N 5.87 3.01 -0.00 0.00 2.20 -1.26 -1.64 119.74 127.92 1ppq s LYS 961 Ca 0.58 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 55.33 1ppq s LYS 961 Cb -0.03 -2.95 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 1ppq s LYS 961 CO -0.04 -0.32 0.14 -1.13 -0.36 0.00 0.00 175.35 173.65 1ppq n SER 962 N 4.70 -0.11 -4.69 1.43 3.41 -1.26 -5.03 113.62 112.07 1ppq n SER 962 Ca -0.17 -0.28 -0.42 0.00 -0.26 0.00 0.00 58.87 57.74 1ppq n SER 962 Cb 0.48 0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 1ppq n SER 962 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ppq s LYS 964 N 1.92 2.24 0.22 0.00 2.20 -0.71 -4.91 119.74 120.70 1ppq s LYS 964 Ca 0.50 0.41 -0.32 0.00 -0.36 0.00 0.00 55.97 56.20 1ppq s LYS 964 Cb -0.19 -4.75 -0.12 0.00 -1.51 0.00 0.00 37.83 31.26 1ppq s LYS 964 CO 0.20 -3.50 1.68 0.95 -0.36 0.00 0.00 175.35 174.32 1ppq s THR 965 N 11.47 2.09 0.29 3.43 -4.23 -1.26 -4.58 115.64 122.85 1ppq s THR 965 Ca 0.80 0.07 -0.28 0.00 -1.18 0.00 0.00 61.69 61.10 1ppq s THR 965 Cb -0.11 -3.04 -0.09 0.00 1.34 0.00 0.00 72.50 70.59 1ppq s THR 965 CO 0.11 0.01 0.95 -2.16 -0.54 0.00 0.00 174.62 172.99 1ppq s PRO 966 N 0.85 4.70 0.49 3.99 0.04 -1.26 -5.04 135.00 138.77 1ppq s PRO 966 Ca 0.72 1.42 -0.22 0.00 0.04 0.00 0.00 61.00 62.96 1ppq s PRO 966 Cb -0.49 -3.02 -0.07 0.00 0.04 0.00 0.00 34.50 30.97 1ppq s PRO 966 CO 0.35 0.37 1.18 -1.25 0.04 0.00 0.00 177.00 177.69 1ppq s PRO 967 N -1.66 3.57 -0.46 0.56 0.04 -1.26 -4.87 135.00 130.92 1ppq s PRO 967 Ca 0.46 1.80 -0.32 0.00 0.04 0.00 0.00 61.00 62.97 1ppq s PRO 967 Cb -0.22 -2.29 -0.12 0.00 0.04 0.00 0.00 34.50 31.91 1ppq s PRO 967 CO 0.28 -0.71 2.31 -0.25 0.04 0.00 0.00 177.00 178.67 1ppq n ASP 968 N -0.76 1.96 -4.58 6.66 9.92 -1.26 -4.84 116.55 123.66 1ppq n ASP 968 Ca 0.09 0.17 -0.41 0.00 -0.53 0.00 0.00 54.79 54.11 1ppq n ASP 968 Cb 0.48 -1.30 -0.03 0.00 -0.64 0.00 0.00 41.12 39.64 1ppq n ASP 968 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 1ppq s PRO 969 N 7.06 3.12 0.44 -0.24 0.02 -1.24 -4.86 135.00 139.31 1ppq s PRO 969 Ca 1.11 1.03 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1ppq s PRO 969 Cb -0.74 -4.24 0.00 0.00 0.02 0.00 0.00 34.50 29.54 1ppq s PRO 969 CO 0.43 -2.13 0.00 1.55 -0.33 0.00 0.00 177.00 176.53 1ppq n VAL 970 N 7.27 0.00 -0.34 3.83 3.14 -1.26 -2.39 118.33 128.58 1ppq n VAL 970 Ca 0.21 0.00 0.31 0.00 -2.96 0.00 0.00 64.34 61.89 1ppq n VAL 970 Cb 0.49 0.00 0.64 0.00 -1.06 0.00 0.00 33.84 33.91 1ppq n VAL 970 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 1ppq h ASN 971 N 0.00 0.21 -2.45 6.55 2.35 -1.94 -3.40 115.58 116.90 1ppq h ASN 971 Ca 0.00 0.05 -0.53 0.00 -0.55 0.00 0.00 56.30 55.27 1ppq h ASN 971 Cb 0.00 0.02 0.02 0.00 0.05 0.00 0.00 38.32 38.41 1ppq h ASN 971 CO 0.00 0.02 1.18 -0.83 -1.65 0.00 0.00 177.43 176.14 1ppq s GLY 972 N -3.95 1.44 -0.03 2.83 0.00 -1.01 -3.59 107.32 103.00 1ppq s GLY 972 Ca -0.07 1.31 -0.17 0.00 0.00 0.00 0.00 44.72 45.79 1ppq s GLY 972 CO 0.81 3.31 0.46 -3.16 0.00 0.00 0.00 173.10 174.52 1ppq s MET 973 N 3.89 4.13 0.21 2.90 0.23 -0.54 -3.69 119.30 126.43 1ppq s MET 973 Ca 0.84 0.48 -0.26 0.00 -1.03 0.00 0.00 55.69 55.72 1ppq s MET 973 Cb -0.42 -3.31 -0.09 0.00 -1.53 0.00 0.00 34.83 29.49 1ppq s MET 973 CO 0.38 0.48 0.84 0.54 -2.03 0.00 0.00 175.02 175.23 1ppq s VAL 974 N -0.44 4.29 -0.78 5.16 0.11 -1.26 -2.87 120.40 124.61 1ppq s VAL 974 Ca 0.25 1.77 -0.10 0.00 -2.93 0.00 0.00 61.98 60.97 1ppq s VAL 974 Cb -0.17 -4.14 0.20 0.00 -1.53 0.00 0.00 36.38 30.75 1ppq s VAL 974 CO 0.13 0.43 0.68 -2.28 -3.33 0.00 0.00 175.10 170.73 1ppq s HIS 975 N -1.27 3.68 -0.10 1.54 2.46 -0.04 -4.97 115.29 116.58 1ppq s HIS 975 Ca 0.40 -2.28 -0.30 0.00 0.47 0.00 0.00 55.06 53.35 1ppq s HIS 975 Cb -0.22 -3.61 -0.03 0.00 -0.13 0.00 0.00 32.58 28.59 1ppq s HIS 975 CO 0.27 -0.93 1.26 0.54 -2.47 0.00 0.00 174.74 173.41 1ppq s VAL 976 N -0.03 4.20 0.00 0.89 0.11 -1.26 -3.17 120.40 121.14 1ppq s VAL 976 Ca 0.19 1.49 0.00 0.00 -2.93 0.00 0.00 61.98 60.73 1ppq s VAL 976 Cb -0.13 -3.96 0.00 0.00 -1.53 0.00 0.00 36.38 30.76 1ppq s VAL 976 CO -0.07 -0.07 0.37 -0.38 -3.33 0.00 0.00 175.10 171.62 1ppq n ILE 977 N 5.01 0.00 0.00 7.04 5.41 -1.26 -4.93 119.36 130.64 1ppq n ILE 977 Ca 0.13 0.87 0.00 0.00 1.00 0.00 0.00 62.75 64.75 1ppq n ILE 977 Cb 0.45 -1.84 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 1ppq n ILE 977 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1ppq n THR 978 N -0.40 0.00 -3.70 1.39 -1.04 -1.26 -5.12 114.28 104.16 1ppq n THR 978 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 1ppq n THR 978 Cb 0.00 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.36 1ppq n THR 978 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1ppq s ASP 979 N -0.40 0.34 -0.76 8.00 1.01 -1.26 -5.06 116.67 118.54 1ppq s ASP 979 Ca 0.00 0.35 -0.01 0.00 0.71 0.00 0.00 52.55 53.61 1ppq s ASP 979 Cb 0.00 0.28 0.37 0.00 1.01 0.00 0.00 42.92 44.58 1ppq s ASP 979 CO 0.00 -0.20 1.85 2.30 0.21 0.00 0.00 175.17 179.32 1ppq n ILE 980 N 4.84 3.36 -2.70 0.77 -5.35 -1.26 -4.87 119.36 114.15 1ppq n ILE 980 Ca -0.14 -4.37 -0.23 0.00 -0.27 0.00 0.00 62.75 57.74 1ppq n ILE 980 Cb 0.51 -1.24 0.03 0.00 -1.74 0.00 0.00 39.64 37.19 1ppq n ILE 980 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1ppq s GLN 981 N -3.96 2.80 0.26 6.28 1.11 -1.26 -3.70 119.66 121.19 1ppq s GLN 981 Ca 0.52 -0.47 -0.30 0.00 0.01 0.00 0.00 55.36 55.11 1ppq s GLN 981 Cb 0.43 -2.45 -0.11 0.00 -1.01 0.00 0.00 33.01 29.88 1ppq s GLN 981 CO -0.36 -0.57 1.50 0.08 0.01 0.00 0.00 175.29 175.95 1ppq s VAL 982 N -2.76 2.44 0.00 1.09 1.01 -0.65 -2.35 120.40 119.18 1ppq s VAL 982 Ca 0.53 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1ppq s VAL 982 Cb -0.10 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1ppq s VAL 982 CO 0.40 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.17 1ppq n GLY 983 N 2.26 0.37 3.89 4.51 0.00 -1.24 -4.98 105.19 110.00 1ppq n GLY 983 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.51 5.87 -0.37 1.61 0.01 -0.99 -4.91 113.70 112.41 1ppq s SER 984 Ca 0.00 1.16 0.02 0.00 1.31 0.00 0.00 55.95 58.43 1ppq s SER 984 Cb 0.00 -2.15 0.15 0.00 0.21 0.00 0.00 66.02 64.23 1ppq s SER 984 CO 0.00 -1.02 0.28 -0.60 0.41 0.00 0.00 173.24 172.31 1ppq s ARG 985 N -5.16 0.65 0.83 12.44 3.52 -1.26 -3.37 118.95 126.60 1ppq s ARG 985 Ca 0.55 -1.38 -0.12 0.00 -0.13 0.00 0.00 55.73 54.65 1ppq s ARG 985 Cb -0.11 -1.17 0.10 0.00 -1.56 0.00 0.00 34.95 32.22 1ppq s ARG 985 CO 0.51 -1.25 1.19 0.96 -0.81 0.00 0.00 175.30 175.90 1ppq s ILE 986 N 0.95 2.03 0.02 4.11 -4.36 -1.26 -4.83 121.20 117.86 1ppq s ILE 986 Ca 0.21 -0.03 0.05 0.00 -0.26 0.00 0.00 60.65 60.62 1ppq s ILE 986 Cb -0.16 -2.99 -0.02 0.00 1.25 0.00 0.00 42.46 40.54 1ppq s ILE 986 CO -0.04 0.00 -0.15 0.42 0.24 0.00 0.00 174.94 175.41 1ppq s THR 987 N -3.61 1.22 -0.07 8.37 -4.23 -1.19 -2.55 115.64 113.58 1ppq s THR 987 Ca 0.64 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 1ppq s THR 987 Cb -0.09 -1.07 -0.03 0.00 1.34 0.00 0.00 72.50 72.65 1ppq s THR 987 CO 0.49 0.14 -0.06 -0.31 -0.54 0.00 0.00 174.62 174.35 1ppq s TYR 988 N -0.68 2.98 0.30 3.99 1.51 -1.20 -0.86 117.35 123.37 1ppq s TYR 988 Ca 0.04 0.05 -0.05 0.00 -1.01 0.00 0.00 57.07 56.10 1ppq s TYR 988 Cb -0.07 -1.73 -0.01 0.00 -0.11 0.00 0.00 41.96 40.05 1ppq s TYR 988 CO 0.01 0.35 0.43 0.45 -1.11 0.00 0.00 175.55 175.67 1ppq s SER 989 N -0.81 0.54 0.17 2.29 0.15 -1.14 -4.74 113.70 110.16 1ppq s SER 989 Ca 0.12 -1.32 0.03 0.00 0.70 0.00 0.00 55.95 55.48 1ppq s SER 989 Cb -0.11 0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 64.77 1ppq s SER 989 CO 0.02 -1.19 0.29 0.00 1.20 0.00 0.00 173.24 173.56 1ppq n THR 991 N -0.69 0.28 0.00 0.00 5.66 -1.24 -3.58 114.28 114.71 1ppq n THR 991 Ca -0.07 0.07 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ppq n THR 991 Cb 0.55 -0.74 0.00 0.00 -1.55 0.00 0.00 70.33 68.58 1ppq n THR 991 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1ppq n THR 992 N -1.20 0.00 0.00 1.09 -1.04 -1.26 -5.04 114.28 106.82 1ppq n THR 992 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1ppq n THR 992 Cb 0.13 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.29 1ppq n THR 992 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ppq n GLY 993 N 2.50 0.86 1.27 3.41 0.00 -1.23 -5.15 105.19 106.85 1ppq n GLY 993 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1ppq n GLY 993 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ppq n HIS 994 N 0.00 -3.56 -3.57 1.61 8.25 -1.26 -4.89 115.22 111.80 1ppq n HIS 994 Ca 0.00 -0.37 -0.33 0.00 -0.26 0.00 0.00 57.72 56.76 1ppq n HIS 994 Cb 0.00 -0.38 -0.05 0.00 1.12 0.00 0.00 29.99 30.67 1ppq n HIS 994 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1ppq s ARG 995 N -3.92 3.72 -0.35 -0.41 6.06 -0.84 -4.58 118.95 118.62 1ppq s ARG 995 Ca 0.25 0.10 -0.17 0.00 -2.50 0.00 0.00 55.73 53.41 1ppq s ARG 995 Cb -0.02 -2.85 -0.00 0.00 0.06 0.00 0.00 34.95 32.14 1ppq s ARG 995 CO 0.19 0.46 0.44 -1.17 -2.50 0.00 0.00 175.30 172.72 1ppq s LEU 996 N -2.44 4.44 -1.07 -0.88 1.98 -1.26 -2.19 118.68 117.26 1ppq s LEU 996 Ca 0.40 -0.19 -0.21 0.00 -2.89 0.00 0.00 54.13 51.25 1ppq s LEU 996 Cb -0.13 -2.46 0.08 0.00 0.66 0.00 0.00 46.19 44.35 1ppq s LEU 996 CO 0.22 -0.43 1.45 -0.63 -1.89 0.00 0.00 176.35 175.07 1ppq s ILE 997 N 2.20 4.18 0.00 6.68 1.09 -0.51 -4.57 121.20 130.27 1ppq s ILE 997 Ca 0.15 -1.28 0.00 0.00 -1.10 0.00 0.00 60.65 58.42 1ppq s ILE 997 Cb -0.16 -5.03 0.00 0.00 -1.06 0.00 0.00 42.46 36.21 1ppq s ILE 997 CO 0.13 -1.86 0.00 0.61 -0.10 0.00 0.00 174.94 173.72 1ppq n GLY 998 N 6.14 0.01 2.86 6.18 0.00 -1.26 -2.84 105.19 116.27 1ppq n GLY 998 Ca 0.35 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 1ppq n GLY 998 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ppq s HIS 999 N 0.00 -0.26 -0.06 1.61 2.46 -1.26 -4.96 115.29 112.82 1ppq s HIS 999 Ca 0.00 0.61 0.00 0.00 0.47 0.00 0.00 55.06 56.14 1ppq s HIS 999 Cb 0.00 -0.23 0.06 0.00 -0.13 0.00 0.00 32.58 32.28 1ppq s HIS 999 CO 0.00 -0.37 1.51 -1.13 -2.47 0.00 0.00 174.74 172.28 1ppq n SER 1000N 5.33 4.23 -3.52 9.88 3.41 -1.26 -4.78 113.62 126.91 1ppq n SER 1000Ca -0.05 -2.34 -0.12 0.00 -0.26 0.00 0.00 58.87 56.09 1ppq n SER 1000Cb 0.50 -0.80 -0.04 0.00 -0.26 0.00 0.00 64.21 63.61 1ppq n SER 1000CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1ppq s SER 1001N 1.15 -0.44 0.14 4.04 0.15 -1.26 -3.25 113.70 114.23 1ppq s SER 1001Ca 0.06 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1ppq s SER 1001Cb 0.05 0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 64.85 1ppq s SER 1001CO 0.01 -0.87 0.02 0.00 1.20 0.00 0.00 173.24 173.59 1ppq s ALA 1002N -3.43 1.07 -0.27 5.45 0.00 -1.06 -4.47 121.76 119.05 1ppq s ALA 1002Ca -0.00 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.46 1ppq s ALA 1002Cb 0.00 0.65 0.16 0.00 0.00 0.00 0.00 23.12 23.93 1ppq s ALA 1002CO -0.10 -0.39 0.44 -2.00 0.00 0.00 0.00 175.76 173.70 1ppq s GLU 1003N -3.97 0.42 -0.60 0.00 2.12 -1.26 -4.19 118.70 111.22 1ppq s GLU 1003Ca 0.22 0.41 -0.26 0.00 0.36 0.00 0.00 54.97 55.70 1ppq s GLU 1003Cb 0.07 -0.22 -0.10 0.00 0.26 0.00 0.00 34.13 34.14 1ppq s GLU 1003CO 0.02 -0.85 2.45 0.00 -0.54 0.00 0.00 175.26 176.33 1ppq s ILE 1005N 11.99 1.74 0.44 0.00 -4.36 -0.98 -3.61 121.20 126.41 1ppq s ILE 1005Ca 1.03 -0.94 -0.05 0.00 -0.26 0.00 0.00 60.65 60.43 1ppq s ILE 1005Cb -0.31 -1.45 -0.04 0.00 1.25 0.00 0.00 42.46 41.91 1ppq s ILE 1005CO 0.27 0.49 0.73 -0.76 0.24 0.00 0.00 174.94 175.92 1ppq s LEU 1006N -0.47 3.74 0.00 0.37 1.02 -1.26 -2.45 118.68 119.63 1ppq s LEU 1006Ca 0.07 0.89 0.00 0.00 0.02 0.00 0.00 54.13 55.11 1ppq s LEU 1006Cb -0.09 -3.81 0.00 0.00 0.02 0.00 0.00 46.19 42.32 1ppq s LEU 1006CO -0.00 -0.48 0.53 -1.54 0.02 0.00 0.00 176.35 174.87 1ppq n SER 1007N -1.94 0.00 0.00 2.29 3.41 -1.26 -4.99 113.62 111.13 1ppq n SER 1007Ca 0.00 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.37 1ppq n SER 1007Cb 0.55 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.00 3.18 2.78 5.00 0.00 -1.26 -4.92 105.19 109.97 1ppq n GLY 1008Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 0.10 5.67 -1.53 1.61 3.02 -1.26 -5.00 115.26 117.86 1ppq n ASN 1009Ca 0.00 -3.64 0.00 0.00 -0.03 0.00 0.00 54.58 50.91 1ppq n ASN 1009Cb 0.00 -0.87 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 1ppq n ASN 1009CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1ppq n THR 1010N 0.10 -4.99 -1.72 3.41 -1.04 -1.26 -4.75 114.28 104.03 1ppq n THR 1010Ca 0.36 2.22 -0.43 0.00 -2.04 0.00 0.00 64.05 64.17 1ppq n THR 1010Cb 0.34 -3.05 -0.03 0.00 -1.82 0.00 0.00 70.33 65.77 1ppq n THR 1010CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ppq s ALA 1011N -2.37 3.19 0.14 2.41 0.00 -1.26 -4.56 121.76 119.31 1ppq s ALA 1011Ca 0.00 0.97 0.07 0.00 0.00 0.00 0.00 51.96 53.00 1ppq s ALA 1011Cb 0.00 -3.94 -0.04 0.00 0.00 0.00 0.00 23.12 19.14 1ppq s ALA 1011CO 0.00 -2.13 -0.16 -3.38 0.00 0.00 0.00 175.76 170.10 1ppq s HIS 1012N 6.13 1.58 0.37 0.00 -3.43 -1.02 -1.73 115.29 117.18 1ppq s HIS 1012Ca 0.91 -0.53 -0.26 0.00 -0.80 0.00 0.00 55.06 54.37 1ppq s HIS 1012Cb -0.36 -0.81 -0.09 0.00 -1.43 0.00 0.00 32.58 29.90 1ppq s HIS 1012CO 0.37 0.23 1.18 -1.58 -2.00 0.00 0.00 174.74 172.93 1ppq s TRP 1013N -2.17 3.15 -2.00 0.38 0.52 -1.26 -2.32 118.94 115.24 1ppq s TRP 1013Ca 0.12 1.56 0.14 0.00 0.02 0.00 0.00 56.10 57.94 1ppq s TRP 1013Cb -0.05 -3.41 0.83 0.00 -1.15 0.00 0.00 33.47 29.69 1ppq s TRP 1013CO 0.05 -1.26 1.35 -1.13 0.02 0.00 0.00 176.95 175.98 1ppq n SER 1014N 0.37 0.00 -4.76 2.95 3.41 -1.16 -4.84 113.62 109.59 1ppq n SER 1014Ca 0.03 -1.04 -0.41 0.00 -0.26 0.00 0.00 58.87 57.18 1ppq n SER 1014Cb 0.46 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 1ppq n SER 1014CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ppq n THR 1015N -0.79 1.42 -2.71 6.66 -2.24 -1.26 -4.93 114.28 110.43 1ppq n THR 1015Ca 0.10 -0.36 -0.30 0.00 -2.27 0.00 0.00 64.05 61.23 1ppq n THR 1015Cb 0.05 -1.99 -0.03 0.00 -2.10 0.00 0.00 70.33 66.26 1ppq n THR 1015CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ppq s LYS 1016N -1.16 3.77 -0.85 -0.78 3.01 -1.26 -4.93 119.74 117.53 1ppq s LYS 1016Ca 0.59 0.53 -0.32 0.00 -1.01 0.00 0.00 55.97 55.76 1ppq s LYS 1016Cb -0.48 -2.33 -0.19 0.00 -1.01 0.00 0.00 37.83 33.81 1ppq s LYS 1016CO 0.55 -0.12 2.58 -2.30 0.51 0.00 0.00 175.35 176.57 1ppq n PRO 1017N -1.52 0.18 -2.90 -1.68 -0.02 -1.26 -4.41 135.00 123.39 1ppq n PRO 1017Ca 0.03 0.01 -0.35 0.00 -2.02 0.00 0.00 63.50 61.17 1ppq n PRO 1017Cb 0.54 -1.79 -0.06 0.00 -0.02 0.00 0.00 33.50 32.16 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 8.48 4.37 0.15 0.52 0.04 -1.26 -4.55 135.00 142.75 1ppq s PRO 1018Ca 1.28 1.11 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1ppq s PRO 1018Cb -1.13 -2.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.72 1ppq s PRO 1018CO 0.48 0.23 0.03 0.42 0.04 0.00 0.00 177.00 178.19 1ppq s ILE 1019N -1.75 0.37 -0.17 0.56 1.01 -1.13 -4.88 121.20 115.21 1ppq s ILE 1019Ca 0.51 -1.94 0.01 0.00 0.00 0.00 0.00 60.65 59.23 1ppq s ILE 1019Cb -0.15 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 40.30 1ppq s ILE 1019CO 0.20 -0.50 -0.13 0.00 0.00 0.00 0.00 174.94 174.51 1ppq s GLN 1021N 1.44 1.68 -0.13 0.00 2.00 -0.93 -4.94 119.66 118.78 1ppq s GLN 1021Ca 0.02 -0.33 -0.32 0.00 -2.00 0.00 0.00 55.36 52.73 1ppq s GLN 1021Cb -0.14 -1.63 -0.10 0.00 0.80 0.00 0.00 33.01 31.94 1ppq s GLN 1021CO -0.10 -0.20 2.02 -2.13 -0.50 0.00 0.00 175.29 174.38 1ppq n ARG 1022N 4.69 2.13 -2.59 1.67 0.63 -1.26 -1.98 116.66 119.95 1ppq n ARG 1022Ca -0.15 0.73 -0.41 0.00 -0.92 0.00 0.00 57.85 57.10 1ppq n ARG 1022Cb 0.50 -2.83 -0.04 0.00 0.45 0.00 0.00 32.46 30.54 1ppq n ARG 1022CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1ppq s ILE 1023N 5.53 4.00 -2.00 5.15 -4.36 -1.26 -4.95 121.20 123.30 1ppq s ILE 1023Ca 0.96 1.78 0.18 0.00 -0.26 0.00 0.00 60.65 63.30 1ppq s ILE 1023Cb -0.58 -4.13 0.50 0.00 1.25 0.00 0.00 42.46 39.50 1ppq s ILE 1023CO 0.46 0.33 1.46 -0.81 0.24 0.00 0.00 174.94 176.62