#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 3.58 -2.76 0.62 0.00 -1.26 -4.90 120.51 115.79 1ppq n ALA 958 Ca 0.00 -1.35 -0.37 0.00 0.00 0.00 0.00 53.44 51.72 1ppq n ALA 958 Cb 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 1ppq n ALA 958 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ppq s GLU 959 N -2.15 3.65 -0.32 0.00 2.12 -1.26 -5.07 118.70 115.68 1ppq s GLU 959 Ca 0.36 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.71 1ppq s GLU 959 Cb 0.28 -3.22 0.14 0.00 0.26 0.00 0.00 34.13 31.58 1ppq s GLU 959 CO 0.10 0.70 0.30 0.00 -0.54 0.00 0.00 175.26 175.82 1ppq s ALA 960 N -0.88 -0.29 0.00 6.30 0.00 -1.26 -5.14 121.76 120.49 1ppq s ALA 960 Ca 0.17 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1ppq s ALA 960 Cb -0.13 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.16 1ppq s ALA 960 CO 0.06 -1.86 0.00 0.36 0.00 0.00 0.00 175.76 174.33 1ppq n LYS 961 N 4.92 2.26 -2.74 0.00 2.85 -1.26 -4.24 118.16 119.96 1ppq n LYS 961 Ca 0.02 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.23 1ppq n LYS 961 Cb 0.45 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.84 1ppq n LYS 961 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1ppq n SER 962 N -1.15 -7.62 -4.58 -5.58 2.88 -1.26 -4.90 113.62 91.42 1ppq n SER 962 Ca 0.00 0.72 -0.30 0.00 -1.33 0.00 0.00 58.87 57.96 1ppq n SER 962 Cb 0.00 -5.12 0.21 0.00 -0.75 0.00 0.00 64.21 58.54 1ppq n SER 962 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ppq n LYS 964 N -4.57 -0.42 -4.85 0.00 4.01 -1.26 -4.91 118.16 106.15 1ppq n LYS 964 Ca 0.07 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.54 1ppq n LYS 964 Cb 0.53 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 34.91 1ppq n LYS 964 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1ppq s THR 965 N -0.82 2.98 0.56 -0.18 -4.23 -1.26 -4.97 115.64 107.72 1ppq s THR 965 Ca 0.00 -0.71 -0.21 0.00 -1.18 0.00 0.00 61.69 59.59 1ppq s THR 965 Cb 0.00 -2.21 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 1ppq s THR 965 CO 0.00 0.55 1.29 -2.84 -0.54 0.00 0.00 174.62 173.08 1ppq s PRO 966 N -0.06 3.09 0.28 3.99 0.02 -1.26 -4.96 135.00 136.10 1ppq s PRO 966 Ca -0.03 2.06 -0.29 0.00 0.02 0.00 0.00 61.00 62.75 1ppq s PRO 966 Cb -0.14 -2.14 -0.10 0.00 0.02 0.00 0.00 34.50 32.14 1ppq s PRO 966 CO 0.04 -1.18 1.37 -1.25 -0.33 0.00 0.00 177.00 175.65 1ppq s PRO 967 N -3.05 4.31 -0.14 5.54 0.04 -1.26 -4.91 135.00 135.53 1ppq s PRO 967 Ca 0.74 2.25 -0.30 0.00 0.04 0.00 0.00 61.00 63.73 1ppq s PRO 967 Cb -0.36 -3.10 -0.07 0.00 0.04 0.00 0.00 34.50 31.01 1ppq s PRO 967 CO 0.41 -0.31 2.13 -3.47 0.04 0.00 0.00 177.00 175.80 1ppq n ASP 968 N 1.62 3.47 -4.68 6.66 2.03 -1.26 -4.86 116.55 119.52 1ppq n ASP 968 Ca 0.04 0.48 -0.40 0.00 0.52 0.00 0.00 54.79 55.42 1ppq n ASP 968 Cb 0.41 -1.51 0.02 0.00 -0.72 0.00 0.00 41.12 39.32 1ppq n ASP 968 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1ppq n PRO 969 N 8.21 1.67 -1.91 -0.67 -0.02 -1.26 -4.92 135.00 136.09 1ppq n PRO 969 Ca 0.27 0.60 -0.41 0.00 -2.02 0.00 0.00 63.50 61.94 1ppq n PRO 969 Cb 0.41 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 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 -1.27 2.38 -1.44 -1.45 0.11 -1.26 -1.28 120.40 116.20 1ppq s VAL 970 Ca 0.65 0.33 0.00 0.00 -2.93 0.00 0.00 61.98 60.03 1ppq s VAL 970 Cb -0.49 -3.21 0.00 0.00 -1.53 0.00 0.00 36.38 31.15 1ppq s VAL 970 CO 0.55 0.06 0.00 0.59 -3.33 0.00 0.00 175.10 172.97 1ppq n ASN 971 N 1.90 -3.90 -0.28 3.54 4.13 -1.26 -4.74 115.26 114.66 1ppq n ASN 971 Ca 0.06 0.30 0.00 0.00 1.68 0.00 0.00 54.58 56.62 1ppq n ASN 971 Cb 0.39 -3.52 0.00 0.00 -1.54 0.00 0.00 39.78 35.11 1ppq n ASN 971 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ppq n GLY 972 N -0.41 4.16 3.57 7.41 0.00 -0.40 -0.33 105.19 119.19 1ppq n GLY 972 Ca -0.15 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 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 0.17 0.73 0.01 1.61 0.23 -1.08 -4.42 119.30 116.54 1ppq s MET 973 Ca 0.00 0.27 -0.10 0.00 -1.03 0.00 0.00 55.69 54.82 1ppq s MET 973 Cb 0.00 0.35 -0.05 0.00 -1.53 0.00 0.00 34.83 33.59 1ppq s MET 973 CO 0.00 -0.21 0.34 0.54 -2.03 0.00 0.00 175.02 173.66 1ppq s VAL 974 N -0.92 5.17 -0.33 5.16 0.11 -1.26 -2.72 120.40 125.61 1ppq s VAL 974 Ca -0.04 0.49 -0.08 0.00 -2.93 0.00 0.00 61.98 59.42 1ppq s VAL 974 Cb -0.01 -3.62 0.02 0.00 -1.53 0.00 0.00 36.38 31.24 1ppq s VAL 974 CO 0.03 0.45 0.12 -1.00 -3.33 0.00 0.00 175.10 171.37 1ppq s HIS 975 N -1.22 3.21 -0.86 1.54 3.76 -0.68 -5.01 115.29 116.02 1ppq s HIS 975 Ca 0.26 -1.07 -0.23 0.00 -0.15 0.00 0.00 55.06 53.87 1ppq s HIS 975 Cb -0.14 -2.31 0.07 0.00 1.11 0.00 0.00 32.58 31.30 1ppq s HIS 975 CO 0.14 -0.63 1.24 0.08 -0.85 0.00 0.00 174.74 174.72 1ppq s VAL 976 N 1.49 4.14 0.00 -0.90 1.01 -1.26 -3.25 120.40 121.64 1ppq s VAL 976 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1ppq s VAL 976 Cb -0.18 -4.89 0.00 0.00 0.00 0.00 0.00 36.38 31.31 1ppq s VAL 976 CO 0.04 -1.73 0.95 -0.38 0.00 0.00 0.00 175.10 173.98 1ppq n ILE 977 N 6.26 0.00 0.00 2.22 5.41 -1.26 -4.87 119.36 127.12 1ppq n ILE 977 Ca 0.17 1.45 0.00 0.00 1.00 0.00 0.00 62.75 65.36 1ppq n ILE 977 Cb 0.49 -2.44 0.00 0.00 -0.71 0.00 0.00 39.64 36.97 1ppq n ILE 977 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1ppq n THR 978 N -1.87 0.00 -4.69 1.39 5.66 -1.26 -5.14 114.28 108.37 1ppq n THR 978 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1ppq n THR 978 Cb 0.00 -0.16 -0.07 0.00 -1.55 0.00 0.00 70.33 68.55 1ppq n THR 978 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1ppq n ASP 979 N 0.00 2.90 -3.18 1.09 8.00 -1.26 -5.09 116.55 119.01 1ppq n ASP 979 Ca 0.00 -3.17 -0.27 0.00 0.71 0.00 0.00 54.79 52.06 1ppq n ASP 979 Cb 0.00 0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 41.54 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 -1.17 2.69 -4.76 0.53 5.41 -1.26 -4.86 119.36 115.95 1ppq n ILE 980 Ca -0.17 -5.39 -0.33 0.00 1.00 0.00 0.00 62.75 57.85 1ppq n ILE 980 Cb 0.62 -1.74 -0.07 0.00 -0.71 0.00 0.00 39.64 37.74 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 -2.96 2.20 0.27 0.38 -0.21 -1.26 -3.43 119.66 114.64 1ppq s GLN 981 Ca 0.44 -2.41 -0.30 0.00 0.02 0.00 0.00 55.36 53.12 1ppq s GLN 981 Cb 0.22 -1.48 -0.10 0.00 1.00 0.00 0.00 33.01 32.65 1ppq s GLN 981 CO -0.07 -0.38 1.39 0.54 -2.12 0.00 0.00 175.29 174.64 1ppq s VAL 982 N -2.90 2.74 0.00 1.09 0.11 -1.26 -2.70 120.40 117.48 1ppq s VAL 982 Ca 0.05 0.65 0.00 0.00 -2.93 0.00 0.00 61.98 59.75 1ppq s VAL 982 Cb 0.01 -3.42 0.00 0.00 -1.53 0.00 0.00 36.38 31.45 1ppq s VAL 982 CO 0.03 0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.52 1ppq n GLY 983 N 1.81 3.01 3.75 6.54 0.00 -1.05 -5.00 105.19 114.25 1ppq n GLY 983 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1ppq n GLY 983 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ppq s SER 984 N 0.38 4.54 -0.16 1.61 0.15 -1.10 -4.83 113.70 114.30 1ppq s SER 984 Ca 0.00 1.99 -0.04 0.00 0.70 0.00 0.00 55.95 58.60 1ppq s SER 984 Cb 0.00 -2.55 0.06 0.00 -1.71 0.00 0.00 66.02 61.82 1ppq s SER 984 CO 0.00 -2.02 0.08 -0.60 1.20 0.00 0.00 173.24 171.90 1ppq s ARG 985 N -4.44 0.13 0.63 5.44 3.52 -1.26 -2.81 118.95 120.15 1ppq s ARG 985 Ca 0.66 -0.08 -0.00 0.00 -0.13 0.00 0.00 55.73 56.18 1ppq s ARG 985 Cb -0.20 -1.73 0.07 0.00 -1.56 0.00 0.00 34.95 31.53 1ppq s ARG 985 CO 0.49 -0.63 0.88 0.96 -0.81 0.00 0.00 175.30 176.19 1ppq s ILE 986 N 2.10 2.43 0.02 4.11 -4.36 -1.09 -4.87 121.20 119.54 1ppq s ILE 986 Ca 0.02 -0.61 0.05 0.00 -0.26 0.00 0.00 60.65 59.86 1ppq s ILE 986 Cb -0.16 -2.82 -0.02 0.00 1.25 0.00 0.00 42.46 40.71 1ppq s ILE 986 CO -0.08 0.00 -0.15 0.42 0.24 0.00 0.00 174.94 175.36 1ppq s THR 987 N -2.95 1.22 0.43 8.37 -4.23 -1.20 -2.60 115.64 114.68 1ppq s THR 987 Ca 0.61 -0.85 0.08 0.00 -1.18 0.00 0.00 61.69 60.34 1ppq s THR 987 Cb -0.08 -1.06 0.01 0.00 1.34 0.00 0.00 72.50 72.71 1ppq s THR 987 CO 0.41 0.19 0.58 -0.31 -0.54 0.00 0.00 174.62 174.95 1ppq s TYR 988 N -0.60 2.81 0.18 3.99 2.02 -0.80 -1.69 117.35 123.26 1ppq s TYR 988 Ca 0.04 -0.39 -0.23 0.00 -0.37 0.00 0.00 57.07 56.13 1ppq s TYR 988 Cb -0.07 -2.39 0.06 0.00 -0.40 0.00 0.00 41.96 39.15 1ppq s TYR 988 CO 0.00 -0.44 0.71 -1.54 -1.57 0.00 0.00 175.55 172.72 1ppq s SER 989 N -4.35 -0.40 0.27 2.29 1.04 -1.10 -4.85 113.70 106.59 1ppq s SER 989 Ca 0.55 -0.26 -0.09 0.00 0.48 0.00 0.00 55.95 56.63 1ppq s SER 989 Cb -0.10 0.61 -0.00 0.00 0.10 0.00 0.00 66.02 66.62 1ppq s SER 989 CO 0.33 -1.06 0.45 0.00 0.98 0.00 0.00 173.24 173.95 1ppq n THR 991 N -0.41 2.09 -1.68 0.00 5.66 0.55 -4.83 114.28 115.66 1ppq n THR 991 Ca -0.01 -0.50 -0.46 0.00 -3.05 0.00 0.00 64.05 60.03 1ppq n THR 991 Cb 0.62 -1.46 -0.04 0.00 -1.55 0.00 0.00 70.33 67.90 1ppq n THR 991 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1ppq n THR 992 N 0.21 0.27 0.00 1.09 5.66 -1.26 -2.91 114.28 117.34 1ppq n THR 992 Ca 0.06 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1ppq n THR 992 Cb 0.36 -1.74 0.00 0.00 -1.55 0.00 0.00 70.33 67.40 1ppq n THR 992 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ppq n GLY 993 N 3.90 2.73 3.71 1.09 0.00 -1.26 -5.08 105.19 110.27 1ppq n GLY 993 Ca 0.19 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 2.47 -2.97 1.61 -0.00 -1.14 -4.73 115.22 110.46 1ppq n HIS 994 Ca 0.00 0.42 -0.40 0.00 -0.00 0.00 0.00 57.72 57.74 1ppq n HIS 994 Cb 0.00 -2.49 -0.06 0.00 -0.00 0.00 0.00 29.99 27.44 1ppq n HIS 994 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1ppq s ARG 995 N -1.00 4.55 -0.17 -0.41 1.81 -0.41 -4.78 118.95 118.54 1ppq s ARG 995 Ca 0.62 1.14 -0.29 0.00 -1.72 0.00 0.00 55.73 55.48 1ppq s ARG 995 Cb -0.57 -3.30 -0.01 0.00 -0.45 0.00 0.00 34.95 30.63 1ppq s ARG 995 CO 0.54 0.47 1.12 -1.17 -0.68 0.00 0.00 175.30 175.58 1ppq s LEU 996 N -0.76 4.17 -1.19 2.53 1.98 -1.26 -0.90 118.68 123.24 1ppq s LEU 996 Ca 0.37 1.55 -0.15 0.00 -2.89 0.00 0.00 54.13 53.01 1ppq s LEU 996 Cb -0.22 -3.54 0.16 0.00 0.66 0.00 0.00 46.19 43.24 1ppq s LEU 996 CO 0.25 -0.65 1.43 -0.63 -1.89 0.00 0.00 176.35 174.87 1ppq s ILE 997 N 2.99 4.92 0.00 6.68 -1.09 -0.57 -4.71 121.20 129.41 1ppq s ILE 997 Ca 0.49 -2.47 0.00 0.00 -2.23 0.00 0.00 60.65 56.44 1ppq s ILE 997 Cb -0.19 -4.93 0.00 0.00 -1.58 0.00 0.00 42.46 35.77 1ppq s ILE 997 CO 0.12 -1.65 0.00 0.61 -1.23 0.00 0.00 174.94 172.79 1ppq n GLY 998 N 4.36 -0.69 0.00 6.18 0.00 -1.26 -3.51 105.19 110.27 1ppq n GLY 998 Ca 0.37 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1ppq n GLY 998 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ppq n HIS 999 N 0.00 0.00 -2.36 1.61 -0.00 -1.26 -5.00 115.22 108.21 1ppq n HIS 999 Ca 0.00 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.09 1ppq n HIS 999 Cb 0.00 0.08 -0.01 0.00 -0.12 0.00 0.00 29.99 29.94 1ppq n HIS 999 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1ppq n SER 1000N 0.00 -3.10 -3.52 0.26 3.41 -1.26 -4.87 113.62 104.54 1ppq n SER 1000Ca 0.00 0.27 -0.09 0.00 -0.26 0.00 0.00 58.87 58.79 1ppq n SER 1000Cb 0.50 -2.70 -0.02 0.00 -0.26 0.00 0.00 64.21 61.73 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 -2.00 -0.40 0.13 4.04 0.15 -1.26 -1.90 113.70 112.45 1ppq s SER 1001Ca 0.00 -0.07 -0.20 0.00 0.70 0.00 0.00 55.95 56.38 1ppq s SER 1001Cb 0.00 0.47 0.05 0.00 -1.71 0.00 0.00 66.02 64.83 1ppq s SER 1001CO 0.00 -0.78 0.50 0.00 1.20 0.00 0.00 173.24 174.16 1ppq s ALA 1002N -3.35 -1.27 -0.04 5.45 0.00 -1.07 -4.54 121.76 116.94 1ppq s ALA 1002Ca 0.05 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.30 1ppq s ALA 1002Cb -0.01 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.85 1ppq s ALA 1002CO -0.08 -0.67 -0.03 -2.00 0.00 0.00 0.00 175.76 172.98 1ppq s GLU 1003N -3.55 0.69 -0.50 0.00 2.12 -1.26 -2.66 118.70 113.55 1ppq s GLU 1003Ca 0.01 -0.06 -0.27 0.00 0.36 0.00 0.00 54.97 55.01 1ppq s GLU 1003Cb 0.00 -0.75 -0.02 0.00 0.26 0.00 0.00 34.13 33.63 1ppq s GLU 1003CO -0.11 -0.09 1.82 0.00 -0.54 0.00 0.00 175.26 176.34 1ppq s ILE 1005N 8.16 0.76 -0.66 0.00 -4.36 -0.89 -2.54 121.20 121.67 1ppq s ILE 1005Ca 0.72 -1.31 -0.22 0.00 -0.26 0.00 0.00 60.65 59.58 1ppq s ILE 1005Cb -0.16 -0.95 0.07 0.00 1.25 0.00 0.00 42.46 42.68 1ppq s ILE 1005CO 0.26 -0.42 0.95 -0.76 0.24 0.00 0.00 174.94 175.21 1ppq s LEU 1006N -1.90 4.45 -0.09 0.37 1.43 -1.26 -2.49 118.68 119.18 1ppq s LEU 1006Ca -0.03 -1.03 0.17 0.00 -1.03 0.00 0.00 54.13 52.20 1ppq s LEU 1006Cb -0.07 -2.41 0.60 0.00 0.03 0.00 0.00 46.19 44.34 1ppq s LEU 1006CO 0.00 -1.42 1.52 -1.20 0.23 0.00 0.00 176.35 175.48 1ppq n SER 1007N 7.62 4.20 0.00 2.29 7.64 -1.26 -5.01 113.62 129.11 1ppq n SER 1007Ca -0.04 -2.40 0.00 0.00 1.01 0.00 0.00 58.87 57.44 1ppq n SER 1007Cb 0.45 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1ppq n SER 1007CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ppq n GLY 1008N 0.80 0.67 0.14 0.23 0.00 -1.26 -4.98 105.19 100.80 1ppq n GLY 1008Ca 0.22 0.27 0.12 0.00 0.00 0.00 0.00 46.02 46.63 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 0.88 -3.87 1.61 4.05 -1.26 -4.88 115.26 111.80 1ppq n ASN 1009Ca 0.00 -0.68 -0.12 0.00 0.45 0.00 0.00 54.58 54.23 1ppq n ASN 1009Cb 0.00 0.29 -0.13 0.00 1.23 0.00 0.00 39.78 41.16 1ppq n ASN 1009CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1ppq s THR 1010N -2.75 0.01 -0.29 -0.44 2.01 -1.26 -4.98 115.64 107.94 1ppq s THR 1010Ca 0.17 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 1ppq s THR 1010Cb 0.18 -0.07 -0.00 0.00 0.01 0.00 0.00 72.50 72.62 1ppq s THR 1010CO 0.63 -0.04 1.30 0.00 -0.69 0.00 0.00 174.62 175.82 1ppq s ALA 1011N -0.10 3.39 0.35 7.40 0.00 -1.26 -4.27 121.76 127.27 1ppq s ALA 1011Ca -0.01 0.13 0.03 0.00 0.00 0.00 0.00 51.96 52.12 1ppq s ALA 1011Cb -0.01 -3.76 -0.05 0.00 0.00 0.00 0.00 23.12 19.30 1ppq s ALA 1011CO -0.00 -1.72 0.09 -1.01 0.00 0.00 0.00 175.76 173.11 1ppq s HIS 1012N 4.31 1.86 0.26 0.00 3.76 -1.04 -4.14 115.29 120.30 1ppq s HIS 1012Ca 0.56 -1.09 -0.24 0.00 -0.15 0.00 0.00 55.06 54.14 1ppq s HIS 1012Cb -0.17 -1.21 -0.09 0.00 1.11 0.00 0.00 32.58 32.22 1ppq s HIS 1012CO 0.22 -0.13 0.84 -1.58 -0.85 0.00 0.00 174.74 173.24 1ppq s TRP 1013N -3.31 3.72 0.01 1.40 0.52 -1.26 -2.08 118.94 117.93 1ppq s TRP 1013Ca 0.32 1.62 -0.04 0.00 0.02 0.00 0.00 56.10 58.02 1ppq s TRP 1013Cb 0.06 -2.79 -0.02 0.00 -1.15 0.00 0.00 33.47 29.58 1ppq s TRP 1013CO 0.15 0.31 1.06 1.03 0.02 0.00 0.00 176.95 179.52 1ppq h SER 1014N 3.46 -0.14 -3.87 2.95 0.87 -1.80 -3.43 113.55 111.58 1ppq h SER 1014Ca -0.47 0.01 -0.53 0.00 -1.23 0.00 0.00 61.79 59.57 1ppq h SER 1014Cb 1.19 0.05 0.08 0.00 -0.44 0.00 0.00 62.40 63.28 1ppq h SER 1014CO 0.65 -0.07 0.72 0.42 -0.53 0.00 0.00 176.83 178.02 1ppq s THR 1015N -3.29 2.39 0.77 2.23 -4.23 -1.26 -4.98 115.64 107.26 1ppq s THR 1015Ca -0.02 0.39 -0.13 0.00 -1.18 0.00 0.00 61.69 60.74 1ppq s THR 1015Cb 0.00 -3.25 0.06 0.00 1.34 0.00 0.00 72.50 70.66 1ppq s THR 1015CO 0.06 0.09 1.17 -1.59 -0.54 0.00 0.00 174.62 173.81 1ppq s LYS 1016N -1.84 1.96 -0.46 3.99 0.00 -1.26 -4.83 119.74 117.30 1ppq s LYS 1016Ca 0.51 1.60 -0.36 0.00 0.00 0.00 0.00 55.97 57.72 1ppq s LYS 1016Cb -0.43 -1.83 -0.14 0.00 0.00 0.00 0.00 37.83 35.43 1ppq s LYS 1016CO 0.57 -1.94 2.25 -2.30 0.00 0.00 0.00 175.35 173.93 1ppq n PRO 1017N -3.15 0.74 -1.58 1.78 -0.02 -1.26 -4.88 135.00 126.63 1ppq n PRO 1017Ca 0.12 0.18 -0.37 0.00 -2.02 0.00 0.00 63.50 61.41 1ppq n PRO 1017Cb 0.51 -2.23 0.08 0.00 -0.02 0.00 0.00 33.50 31.83 1ppq n PRO 1017CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1ppq n PRO 1018N 8.15 0.87 -4.50 0.52 -0.02 -1.26 -5.03 135.00 133.72 1ppq n PRO 1018Ca 0.46 0.35 -0.24 0.00 -2.02 0.00 0.00 63.50 62.05 1ppq n PRO 1018Cb 0.18 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.15 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 -1.56 2.11 -0.62 4.25 -1.09 -1.23 -4.87 121.20 118.18 1ppq s ILE 1019Ca 0.79 -2.21 -0.06 0.00 -2.23 0.00 0.00 60.65 56.94 1ppq s ILE 1019Cb -0.37 -2.55 0.16 0.00 -1.58 0.00 0.00 42.46 38.13 1ppq s ILE 1019CO 0.44 -0.26 0.47 0.00 -1.23 0.00 0.00 174.94 174.36 1ppq s GLN 1021N 0.30 2.43 0.35 0.00 2.00 -0.08 -4.83 119.66 119.83 1ppq s GLN 1021Ca 0.15 0.82 -0.28 0.00 -2.00 0.00 0.00 55.36 54.04 1ppq s GLN 1021Cb -0.19 -4.49 -0.12 0.00 0.80 0.00 0.00 33.01 29.01 1ppq s GLN 1021CO -0.04 -2.97 1.35 0.54 -0.50 0.00 0.00 175.29 173.67 1ppq n ARG 1022N 9.11 2.29 -0.08 1.67 1.74 -1.26 -1.29 116.66 128.85 1ppq n ARG 1022Ca 0.27 0.80 -0.16 0.00 -0.77 0.00 0.00 57.85 57.99 1ppq n ARG 1022Cb 0.53 -2.43 -0.05 0.00 -1.02 0.00 0.00 32.46 29.48 1ppq n ARG 1022CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ppq n ILE 1023N 0.39 0.99 0.00 0.55 2.08 -1.26 -4.89 119.36 117.22 1ppq n ILE 1023Ca 0.04 -0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.19 1ppq n ILE 1023Cb 0.37 -1.78 0.00 0.00 -0.75 0.00 0.00 39.64 37.48 1ppq n ILE 1023CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46