#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 -0.12 -0.04 4.31 0.00 -1.26 -5.06 121.76 119.60 1ppq s ALA 958 Ca 0.00 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.05 1ppq s ALA 958 Cb 0.00 1.08 0.08 0.00 0.00 0.00 0.00 23.12 24.28 1ppq s ALA 958 CO 0.00 -0.84 1.01 -0.85 0.00 0.00 0.00 175.76 175.07 1ppq n GLU 959 N -0.40 0.46 -1.06 0.00 -0.00 -1.26 -5.08 120.64 113.30 1ppq n GLU 959 Ca -0.01 -1.42 0.00 0.00 -0.00 0.00 0.00 57.16 55.72 1ppq n GLU 959 Cb 0.62 -0.80 0.00 0.00 -0.00 0.00 0.00 31.44 31.26 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 -0.42 0.00 -1.14 -1.84 0.00 -1.26 -4.90 120.51 110.95 1ppq n ALA 960 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.63 1ppq n ALA 960 Cb 0.65 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.71 -2.53 -2.48 0.00 4.81 -1.26 -4.98 118.16 111.02 1ppq n LYS 961 Ca 0.00 1.95 -0.02 0.00 -0.87 0.00 0.00 58.31 59.37 1ppq n LYS 961 Cb 0.00 -2.99 -0.02 0.00 0.02 0.00 0.00 35.03 32.04 1ppq n LYS 961 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1ppq n SER 962 N -3.91 -4.00 -4.79 3.14 7.64 -1.26 -5.01 113.62 105.44 1ppq n SER 962 Ca -0.05 1.19 -0.29 0.00 1.01 0.00 0.00 58.87 60.73 1ppq n SER 962 Cb 0.54 -4.67 0.13 0.00 -1.01 0.00 0.00 64.21 59.20 1ppq n SER 962 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ppq s LYS 964 N -5.27 3.73 0.30 0.00 3.01 -1.26 -4.99 119.74 115.27 1ppq s LYS 964 Ca 0.64 0.71 -0.30 0.00 -1.01 0.00 0.00 55.97 56.01 1ppq s LYS 964 Cb -0.15 -3.91 -0.12 0.00 -1.01 0.00 0.00 37.83 32.64 1ppq s LYS 964 CO 0.53 -1.37 1.57 0.25 0.51 0.00 0.00 175.35 176.85 1ppq n THR 965 N 6.78 1.16 -1.61 2.17 -2.24 -1.26 -4.88 114.28 114.40 1ppq n THR 965 Ca 0.13 -0.29 -0.44 0.00 -2.27 0.00 0.00 64.05 61.18 1ppq n THR 965 Cb 0.49 -1.94 -0.03 0.00 -2.10 0.00 0.00 70.33 66.74 1ppq n THR 965 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1ppq n PRO 966 N 1.91 2.12 -1.53 -0.78 -0.02 -1.26 -4.87 135.00 130.57 1ppq n PRO 966 Ca 0.08 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 1ppq n PRO 966 Cb 0.37 -3.11 -0.04 0.00 -0.02 0.00 0.00 33.50 30.70 1ppq n PRO 966 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ppq n PRO 967 N 8.36 2.03 -2.90 0.52 -0.04 -1.26 -4.56 135.00 137.16 1ppq n PRO 967 Ca 0.28 -2.24 -0.01 0.00 -0.04 0.00 0.00 63.50 61.49 1ppq n PRO 967 Cb 0.42 -3.16 -0.01 0.00 -0.04 0.00 0.00 33.50 30.71 1ppq n PRO 967 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ppq n ASP 968 N 7.91 -6.68 -3.92 3.54 2.03 -1.26 -5.01 116.55 113.15 1ppq n ASP 968 Ca 0.50 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.85 1ppq n ASP 968 Cb 0.41 -3.78 0.00 0.00 -0.72 0.00 0.00 41.12 37.04 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 1.16 1.63 -0.14 -0.67 -0.02 -1.26 -5.00 135.00 130.71 1ppq n PRO 969 Ca -0.05 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.34 1ppq n PRO 969 Cb 0.24 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 33.82 1ppq n PRO 969 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1ppq n VAL 970 N -0.38 0.00 -0.53 -1.45 3.14 -1.26 -4.71 118.33 113.14 1ppq n VAL 970 Ca 0.00 0.00 0.43 0.00 -2.96 0.00 0.00 64.34 61.81 1ppq n VAL 970 Cb 0.00 -0.31 0.74 0.00 -1.06 0.00 0.00 33.84 33.21 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 -2.39 0.10 -2.85 6.55 2.35 -1.95 -3.36 115.58 114.04 1ppq h ASN 971 Ca -0.12 0.06 -0.57 0.00 -0.55 0.00 0.00 56.30 55.11 1ppq h ASN 971 Cb 0.42 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.81 1ppq h ASN 971 CO 0.07 -0.07 1.19 -0.83 -1.65 0.00 0.00 177.43 176.14 1ppq s GLY 972 N -4.00 0.97 0.49 2.83 0.00 -1.26 -4.41 107.32 101.94 1ppq s GLY 972 Ca -0.06 0.21 -0.23 0.00 0.00 0.00 0.00 44.72 44.64 1ppq s GLY 972 CO 0.85 3.08 1.23 -3.16 0.00 0.00 0.00 173.10 175.10 1ppq s MET 973 N 5.24 3.57 0.14 2.90 0.23 -0.49 -4.40 119.30 126.49 1ppq s MET 973 Ca 0.73 1.92 -0.05 0.00 -1.03 0.00 0.00 55.69 57.26 1ppq s MET 973 Cb -0.21 -2.37 -0.06 0.00 -1.53 0.00 0.00 34.83 30.67 1ppq s MET 973 CO 0.32 -0.75 0.38 0.54 -2.03 0.00 0.00 175.02 173.49 1ppq s VAL 974 N -1.47 5.15 0.11 5.16 0.11 -1.26 -2.49 120.40 125.71 1ppq s VAL 974 Ca 0.66 0.08 0.08 0.00 -2.93 0.00 0.00 61.98 59.86 1ppq s VAL 974 Cb -0.32 -3.62 -0.04 0.00 -1.53 0.00 0.00 36.38 30.87 1ppq s VAL 974 CO 0.39 0.05 -0.19 -1.00 -3.33 0.00 0.00 175.10 171.02 1ppq s HIS 975 N -1.65 1.70 -0.27 1.54 3.76 -0.94 -4.97 115.29 114.46 1ppq s HIS 975 Ca 0.41 -0.44 -0.05 0.00 -0.15 0.00 0.00 55.06 54.84 1ppq s HIS 975 Cb -0.12 -0.92 0.01 0.00 1.11 0.00 0.00 32.58 32.66 1ppq s HIS 975 CO 0.24 0.20 0.01 0.08 -0.85 0.00 0.00 174.74 174.42 1ppq s VAL 976 N -1.35 3.50 0.03 -0.90 1.01 -1.26 -3.34 120.40 118.08 1ppq s VAL 976 Ca 0.07 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 61.03 1ppq s VAL 976 Cb -0.09 -2.76 -0.18 0.00 0.00 0.00 0.00 36.38 33.35 1ppq s VAL 976 CO 0.04 0.18 1.44 0.40 0.00 0.00 0.00 175.10 177.16 1ppq h ILE 977 N 5.93 1.06 0.00 2.22 1.08 -1.92 -3.46 117.51 122.42 1ppq h ILE 977 Ca -0.33 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 63.56 1ppq h ILE 977 Cb 1.13 1.43 0.00 0.00 -3.07 0.00 0.00 36.82 36.30 1ppq h ILE 977 CO 0.59 0.14 0.00 0.35 -0.69 0.00 0.00 178.15 178.54 1ppq n THR 978 N -5.02 0.00 -3.90 -0.27 -2.24 -1.26 -5.14 114.28 96.44 1ppq n THR 978 Ca -0.08 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.64 1ppq n THR 978 Cb 0.18 -0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.18 1ppq n THR 978 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ppq n ASP 979 N -2.93 -0.37 -3.19 3.42 8.00 -1.26 -5.10 116.55 115.12 1ppq n ASP 979 Ca 0.00 -1.70 -0.26 0.00 0.71 0.00 0.00 54.79 53.54 1ppq n ASP 979 Cb 0.00 0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 41.79 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 -0.21 2.11 -4.49 0.53 2.08 -1.26 -4.83 119.36 113.29 1ppq n ILE 980 Ca 0.01 -5.19 -0.24 0.00 0.56 0.00 0.00 62.75 57.90 1ppq n ILE 980 Cb 0.21 -1.64 -0.10 0.00 -0.75 0.00 0.00 39.64 37.35 1ppq n ILE 980 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 1ppq s GLN 981 N -2.74 1.70 -0.01 0.38 -1.52 -1.26 -3.89 119.66 112.31 1ppq s GLN 981 Ca 0.43 -1.87 -0.30 0.00 -1.95 0.00 0.00 55.36 51.67 1ppq s GLN 981 Cb 0.22 -1.43 -0.07 0.00 -0.22 0.00 0.00 33.01 31.51 1ppq s GLN 981 CO -0.08 0.08 1.79 0.54 -0.25 0.00 0.00 175.29 177.37 1ppq s VAL 982 N -2.82 3.33 0.00 1.09 0.11 -1.26 -1.56 120.40 119.30 1ppq s VAL 982 Ca 0.31 0.41 0.00 0.00 -2.93 0.00 0.00 61.98 59.77 1ppq s VAL 982 Cb 0.03 -3.27 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 1ppq s VAL 982 CO 0.14 -0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.49 1ppq n GLY 983 N 4.30 0.87 3.85 6.54 0.00 -1.24 -5.00 105.19 114.53 1ppq n GLY 983 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.91 6.73 -0.17 1.61 0.01 -0.60 -4.97 113.70 114.40 1ppq s SER 984 Ca 0.00 0.89 0.01 0.00 1.31 0.00 0.00 55.95 58.16 1ppq s SER 984 Cb 0.00 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 64.03 1ppq s SER 984 CO 0.00 0.23 -0.19 -0.60 0.41 0.00 0.00 173.24 173.09 1ppq s ARG 985 N -1.56 3.04 0.64 12.44 3.52 -1.26 -3.42 118.95 132.36 1ppq s ARG 985 Ca 0.29 -0.81 0.02 0.00 -0.13 0.00 0.00 55.73 55.10 1ppq s ARG 985 Cb -0.15 -2.58 0.09 0.00 -1.56 0.00 0.00 34.95 30.76 1ppq s ARG 985 CO 0.16 -0.14 0.88 0.96 -0.81 0.00 0.00 175.30 176.35 1ppq s ILE 986 N 1.15 2.30 -0.03 4.11 -4.36 -0.91 -4.59 121.20 118.88 1ppq s ILE 986 Ca 0.01 -0.71 0.02 0.00 -0.26 0.00 0.00 60.65 59.70 1ppq s ILE 986 Cb -0.14 -2.59 0.01 0.00 1.25 0.00 0.00 42.46 41.00 1ppq s ILE 986 CO -0.09 0.00 -0.06 0.42 0.24 0.00 0.00 174.94 175.45 1ppq s THR 987 N -2.92 0.59 0.18 8.37 -4.23 -1.21 -2.91 115.64 113.51 1ppq s THR 987 Ca 0.63 -0.21 -0.03 0.00 -1.18 0.00 0.00 61.69 60.90 1ppq s THR 987 Cb -0.07 -0.57 -0.05 0.00 1.34 0.00 0.00 72.50 73.15 1ppq s THR 987 CO 0.41 0.21 0.39 -0.31 -0.54 0.00 0.00 174.62 174.79 1ppq s TYR 988 N 0.54 3.48 -0.12 3.99 1.51 -1.21 -2.22 117.35 123.33 1ppq s TYR 988 Ca -0.07 0.46 -0.08 0.00 -1.01 0.00 0.00 57.07 56.37 1ppq s TYR 988 Cb -0.11 -1.94 0.04 0.00 -0.11 0.00 0.00 41.96 39.84 1ppq s TYR 988 CO 0.00 0.39 0.29 -1.12 -1.11 0.00 0.00 175.55 174.01 1ppq s SER 989 N -2.80 -0.32 0.76 2.29 0.01 -1.04 -4.85 113.70 107.75 1ppq s SER 989 Ca 0.40 0.61 -0.08 0.00 1.31 0.00 0.00 55.95 58.19 1ppq s SER 989 Cb -0.12 0.53 0.09 0.00 0.21 0.00 0.00 66.02 66.74 1ppq s SER 989 CO 0.27 -0.15 1.08 0.00 0.41 0.00 0.00 173.24 174.85 1ppq n THR 991 N -3.09 0.00 -3.64 0.00 -2.24 -1.26 -4.46 114.28 99.58 1ppq n THR 991 Ca 0.10 1.06 -0.27 0.00 -2.27 0.00 0.00 64.05 62.67 1ppq n THR 991 Cb 0.60 -1.99 -0.10 0.00 -2.10 0.00 0.00 70.33 66.74 1ppq n THR 991 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ppq n THR 992 N -1.01 2.03 -2.86 4.28 -1.04 -1.26 -4.95 114.28 109.47 1ppq n THR 992 Ca 0.00 -5.06 -0.05 0.00 -2.04 0.00 0.00 64.05 56.90 1ppq n THR 992 Cb 0.00 -2.14 0.01 0.00 -1.82 0.00 0.00 70.33 66.38 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 1.36 -2.68 3.11 3.41 0.00 -1.26 -4.85 105.19 104.27 1ppq n GLY 993 Ca 0.25 0.71 -0.24 0.00 0.00 0.00 0.00 46.02 46.74 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 -1.86 1.51 -0.26 1.61 4.02 -1.26 -4.19 115.29 114.86 1ppq s HIS 994 Ca 0.10 -0.40 -0.29 0.00 1.02 0.00 0.00 55.06 55.49 1ppq s HIS 994 Cb -0.02 -1.02 -0.02 0.00 -1.02 0.00 0.00 32.58 30.50 1ppq s HIS 994 CO 0.71 -0.13 1.56 0.50 1.02 0.00 0.00 174.74 178.40 1ppq s ARG 995 N 0.02 3.75 0.15 1.40 6.06 -1.26 -4.75 118.95 124.32 1ppq s ARG 995 Ca -0.02 1.50 -0.31 0.00 -2.50 0.00 0.00 55.73 54.40 1ppq s ARG 995 Cb -0.10 -4.02 -0.09 0.00 0.06 0.00 0.00 34.95 30.80 1ppq s ARG 995 CO 0.01 -1.35 1.44 -0.51 -2.50 0.00 0.00 175.30 172.40 1ppq s LEU 996 N 5.25 4.38 -0.26 -0.88 1.43 -1.26 -2.28 118.68 125.06 1ppq s LEU 996 Ca 0.69 2.46 0.01 0.00 -1.03 0.00 0.00 54.13 56.26 1ppq s LEU 996 Cb -0.22 -3.60 0.27 0.00 0.03 0.00 0.00 46.19 42.67 1ppq s LEU 996 CO 0.29 -0.70 1.71 -0.38 0.23 0.00 0.00 176.35 177.50 1ppq n ILE 997 N 3.63 2.40 0.00 -0.59 5.41 -1.08 -4.76 119.36 124.36 1ppq n ILE 997 Ca 0.11 -1.26 0.00 0.00 1.00 0.00 0.00 62.75 62.60 1ppq n ILE 997 Cb 0.41 -1.03 0.00 0.00 -0.71 0.00 0.00 39.64 38.31 1ppq n ILE 997 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ppq n GLY 998 N 0.01 0.98 2.94 7.39 0.00 -1.26 -4.81 105.19 110.44 1ppq n GLY 998 Ca 0.29 0.37 -0.14 0.00 0.00 0.00 0.00 46.02 46.55 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 2.00 0.33 -0.27 1.61 2.46 -1.26 -5.03 115.29 115.14 1ppq s HIS 999 Ca 0.00 -0.13 0.02 0.00 0.47 0.00 0.00 55.06 55.42 1ppq s HIS 999 Cb 0.00 -0.21 0.25 0.00 -0.13 0.00 0.00 32.58 32.49 1ppq s HIS 999 CO 0.00 -0.03 1.26 0.45 -2.47 0.00 0.00 174.74 173.95 1ppq n SER 1000N 2.75 3.17 -3.72 9.88 2.88 -1.26 -4.71 113.62 122.60 1ppq n SER 1000Ca -0.14 -2.53 -0.02 0.00 -1.33 0.00 0.00 58.87 54.84 1ppq n SER 1000Cb 0.58 -0.61 -0.01 0.00 -0.75 0.00 0.00 64.21 63.42 1ppq n SER 1000CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ppq s SER 1001N 0.09 -0.15 0.00 -3.46 1.04 -1.26 -3.29 113.70 106.67 1ppq s SER 1001Ca 0.20 -0.34 -0.28 0.00 0.48 0.00 0.00 55.95 56.01 1ppq s SER 1001Cb 0.17 0.42 0.09 0.00 0.10 0.00 0.00 66.02 66.79 1ppq s SER 1001CO 0.04 -0.77 0.76 0.00 0.98 0.00 0.00 173.24 174.26 1ppq s ALA 1002N -3.09 -1.76 -0.04 5.32 0.00 -1.15 -4.69 121.76 116.35 1ppq s ALA 1002Ca 0.13 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.16 1ppq s ALA 1002Cb 0.00 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.36 1ppq s ALA 1002CO 0.01 -0.55 -0.09 -1.21 0.00 0.00 0.00 175.76 173.91 1ppq s GLU 1003N -2.40 1.10 -0.64 0.00 2.02 -1.26 -2.14 118.70 115.38 1ppq s GLU 1003Ca -0.02 -0.31 -0.26 0.00 0.02 0.00 0.00 54.97 54.40 1ppq s GLU 1003Cb -0.01 -1.00 -0.07 0.00 0.10 0.00 0.00 34.13 33.15 1ppq s GLU 1003CO -0.03 0.08 2.19 0.00 0.02 0.00 0.00 175.26 177.52 1ppq n ILE 1005N 7.90 0.00 -3.19 0.00 -5.35 0.17 -3.59 119.36 115.30 1ppq n ILE 1005Ca 0.34 -1.67 0.02 0.00 -0.27 0.00 0.00 62.75 61.17 1ppq n ILE 1005Cb 0.51 -0.59 -0.00 0.00 -1.74 0.00 0.00 39.64 37.81 1ppq n ILE 1005CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1ppq n LEU 1006N 0.00 0.00 0.00 7.28 4.77 -1.26 -3.22 117.00 124.56 1ppq n LEU 1006Ca 0.14 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1ppq n LEU 1006Cb 0.52 -0.42 0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1ppq n LEU 1006CO 0.34 -1.18 0.85 -1.20 -1.33 0.00 0.00 177.39 174.87 1ppq n SER 1007N -3.43 -1.28 0.00 -1.43 7.64 -0.99 -4.80 113.62 109.32 1ppq n SER 1007Ca 0.00 -1.50 0.00 0.00 1.01 0.00 0.00 58.87 58.38 1ppq n SER 1007Cb 0.06 2.05 0.00 0.00 -1.01 0.00 0.00 64.21 65.31 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 -0.73 3.45 0.00 0.23 0.00 -1.26 -1.45 105.19 105.43 1ppq n GLY 1008Ca 0.01 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 6.77 0.00 -4.40 1.61 4.13 -1.26 -4.47 115.26 117.64 1ppq n ASN 1009Ca 0.00 0.05 -0.21 0.00 1.68 0.00 0.00 54.58 56.10 1ppq n ASN 1009Cb 0.00 -0.31 -0.10 0.00 -1.54 0.00 0.00 39.78 37.82 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 -2.63 1.79 0.00 3.41 2.01 -0.53 -5.14 115.64 114.56 1ppq s THR 1010Ca 0.19 -2.19 0.00 0.00 0.31 0.00 0.00 61.69 60.00 1ppq s THR 1010Cb 0.14 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.37 1ppq s THR 1010CO 0.33 -0.42 0.00 0.00 -0.69 0.00 0.00 174.62 173.84 1ppq n ALA 1011N -0.51 0.00 -3.77 7.40 0.00 -1.26 -2.35 120.51 120.02 1ppq n ALA 1011Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 1ppq n ALA 1011Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.06 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 0.00 -0.08 0.12 0.00 -3.43 -1.20 -4.49 115.29 106.21 1ppq s HIS 1012Ca 0.00 -0.23 -0.12 0.00 -0.80 0.00 0.00 55.06 53.90 1ppq s HIS 1012Cb 0.00 0.65 -0.06 0.00 -1.43 0.00 0.00 32.58 31.73 1ppq s HIS 1012CO 0.00 -0.82 0.48 -1.58 -2.00 0.00 0.00 174.74 170.82 1ppq s TRP 1013N -3.02 3.59 0.00 0.38 0.52 -1.26 -0.65 118.94 118.50 1ppq s TRP 1013Ca 0.14 0.93 0.00 0.00 0.02 0.00 0.00 56.10 57.19 1ppq s TRP 1013Cb -0.01 -2.27 0.00 0.00 -1.15 0.00 0.00 33.47 30.04 1ppq s TRP 1013CO 0.03 0.46 0.99 0.43 0.02 0.00 0.00 176.95 178.87 1ppq n SER 1014N 0.80 0.00 -4.76 2.95 7.64 -1.09 -4.60 113.62 114.56 1ppq n SER 1014Ca -0.06 0.99 -0.40 0.00 1.01 0.00 0.00 58.87 60.41 1ppq n SER 1014Cb 0.52 -0.49 -0.06 0.00 -1.01 0.00 0.00 64.21 63.18 1ppq n SER 1014CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1ppq s THR 1015N -2.95 4.29 0.80 0.44 -4.23 -1.26 -5.03 115.64 107.70 1ppq s THR 1015Ca 0.00 1.90 -0.14 0.00 -1.18 0.00 0.00 61.69 62.27 1ppq s THR 1015Cb 0.00 -4.24 0.05 0.00 1.34 0.00 0.00 72.50 69.66 1ppq s THR 1015CO 0.00 0.48 1.00 2.29 -0.54 0.00 0.00 174.62 177.85 1ppq n LYS 1016N 1.78 0.20 -1.41 3.99 0.00 -1.26 -4.77 118.16 116.69 1ppq n LYS 1016Ca -0.03 0.13 -0.50 0.00 -0.00 0.00 0.00 58.31 57.91 1ppq n LYS 1016Cb 0.48 -2.27 -0.09 0.00 -0.00 0.00 0.00 35.03 33.15 1ppq n LYS 1016CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1ppq n PRO 1017N -2.60 0.61 -1.03 -1.58 -0.02 -1.26 -4.77 135.00 124.35 1ppq n PRO 1017Ca 0.12 0.14 -0.33 0.00 -2.02 0.00 0.00 63.50 61.41 1ppq n PRO 1017Cb 0.50 -2.14 0.12 0.00 -0.02 0.00 0.00 33.50 31.97 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 8.14 0.06 -4.36 0.52 -0.02 -1.26 -4.99 135.00 133.08 1ppq n PRO 1018Ca 0.49 0.09 -0.19 0.00 -2.02 0.00 0.00 63.50 61.87 1ppq n PRO 1018Cb 0.15 -2.27 -0.10 0.00 -0.02 0.00 0.00 33.50 31.26 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 -2.19 1.52 -0.38 4.25 1.01 -1.26 -4.47 121.20 119.68 1ppq s ILE 1019Ca 0.69 -2.13 -0.08 0.00 0.00 0.00 0.00 60.65 59.13 1ppq s ILE 1019Cb -0.28 -2.24 0.05 0.00 0.01 0.00 0.00 42.46 40.01 1ppq s ILE 1019CO 0.55 -0.45 0.18 0.00 0.00 0.00 0.00 174.94 175.22 1ppq h GLN 1021N 8.32 0.00 -4.01 0.00 4.15 -1.75 -3.48 115.11 118.35 1ppq h GLN 1021Ca -0.23 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1ppq h GLN 1021Cb 1.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.78 1ppq h GLN 1021CO 0.67 0.18 -0.81 -2.13 -1.93 0.00 0.00 178.83 174.82 1ppq n ARG 1022N -3.47 -4.52 -0.12 1.69 0.63 -1.26 -4.92 116.66 104.69 1ppq n ARG 1022Ca -0.01 3.32 -0.23 0.00 -0.92 0.00 0.00 57.85 60.01 1ppq n ARG 1022Cb 0.35 -3.78 -0.09 0.00 0.45 0.00 0.00 32.46 29.39 1ppq n ARG 1022CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1ppq n ILE 1023N 1.56 1.52 0.00 5.15 5.41 -1.26 -4.88 119.36 126.86 1ppq n ILE 1023Ca 0.00 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1ppq n ILE 1023Cb 0.00 -2.03 0.00 0.00 -0.71 0.00 0.00 39.64 36.90 1ppq n ILE 1023CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90