#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 3.09 0.00 4.31 0.00 -1.26 -4.98 121.76 122.92 1ppq s ALA 958 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.41 1ppq s ALA 958 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1ppq s ALA 958 CO 0.00 -1.07 0.00 -1.91 0.00 0.00 0.00 175.76 172.78 1ppq n GLU 959 N 4.87 0.00 -3.39 0.00 0.00 -1.26 -5.07 120.64 115.80 1ppq n GLU 959 Ca -0.14 0.02 0.02 0.00 0.00 0.00 0.00 57.16 57.06 1ppq n GLU 959 Cb 0.47 -0.47 -0.03 0.00 0.00 0.00 0.00 31.44 31.41 1ppq n GLU 959 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ppq s ALA 960 N -3.21 -2.59 -0.07 4.31 0.00 -1.26 -5.16 121.76 113.78 1ppq s ALA 960 Ca 0.00 2.01 0.01 0.00 0.00 0.00 0.00 51.96 53.98 1ppq s ALA 960 Cb 0.00 -2.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 1ppq s ALA 960 CO 0.00 -1.07 -0.09 0.21 0.00 0.00 0.00 175.76 174.81 1ppq s LYS 961 N 2.69 2.73 0.01 0.00 2.20 -1.26 -5.12 119.74 120.99 1ppq s LYS 961 Ca 0.00 -0.58 0.02 0.00 -0.36 0.00 0.00 55.97 55.05 1ppq s LYS 961 Cb -0.09 -2.55 -0.01 0.00 -1.51 0.00 0.00 37.83 33.66 1ppq s LYS 961 CO -0.17 0.64 -0.06 0.45 -0.36 0.00 0.00 175.35 175.84 1ppq s SER 962 N -0.74 0.65 -0.05 1.43 0.15 -1.26 -3.60 113.70 110.29 1ppq s SER 962 Ca 0.11 -0.27 -0.17 0.00 0.70 0.00 0.00 55.95 56.33 1ppq s SER 962 Cb -0.11 -0.02 -0.05 0.00 -1.71 0.00 0.00 66.02 64.13 1ppq s SER 962 CO 0.01 -0.05 0.45 0.00 1.20 0.00 0.00 173.24 174.86 1ppq s LYS 964 N -0.31 0.14 0.17 0.00 -2.85 -1.26 -4.76 119.74 110.88 1ppq s LYS 964 Ca 0.25 -0.21 0.00 0.00 -1.00 0.00 0.00 55.97 55.01 1ppq s LYS 964 Cb -0.16 -1.42 0.00 0.00 -2.06 0.00 0.00 37.83 34.19 1ppq s LYS 964 CO 0.12 -0.82 0.00 2.41 0.10 0.00 0.00 175.35 177.16 1ppq n THR 965 N 5.28 0.00 -1.51 3.79 -1.04 -1.26 -5.08 114.28 114.46 1ppq n THR 965 Ca -0.06 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.49 1ppq n THR 965 Cb 0.46 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.92 1ppq n THR 965 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1ppq n PRO 966 N -2.83 1.32 0.00 -2.82 -0.04 -1.26 -4.96 135.00 124.40 1ppq n PRO 966 Ca 0.00 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1ppq n PRO 966 Cb 0.00 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 1ppq n PRO 966 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1ppq n PRO 967 N 8.50 0.04 -3.20 0.54 -0.02 -1.26 -5.01 135.00 134.60 1ppq n PRO 967 Ca 0.38 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.42 1ppq n PRO 967 Cb 0.33 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.75 1ppq n PRO 967 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ppq s ASP 968 N -1.15 6.22 0.25 2.55 1.11 -1.26 -4.74 116.67 119.64 1ppq s ASP 968 Ca 0.00 -0.92 -0.30 0.00 0.18 0.00 0.00 52.55 51.51 1ppq s ASP 968 Cb 0.00 -2.27 -0.10 0.00 1.07 0.00 0.00 42.92 41.62 1ppq s ASP 968 CO 0.00 -0.83 1.47 -2.16 1.18 0.00 0.00 175.17 174.82 1ppq s PRO 969 N 2.48 4.25 0.40 8.23 0.04 -1.26 -4.97 135.00 144.16 1ppq s PRO 969 Ca 0.14 2.34 -0.27 0.00 0.04 0.00 0.00 61.00 63.25 1ppq s PRO 969 Cb -0.19 -3.10 -0.09 0.00 0.04 0.00 0.00 34.50 31.15 1ppq s PRO 969 CO 0.12 -0.46 1.35 0.54 0.04 0.00 0.00 177.00 178.58 1ppq s VAL 970 N 0.09 2.48 -1.12 -0.36 0.11 -1.26 -3.40 120.40 116.94 1ppq s VAL 970 Ca 0.61 0.45 -0.15 0.00 -2.93 0.00 0.00 61.98 59.95 1ppq s VAL 970 Cb -0.43 -3.27 -0.03 0.00 -1.53 0.00 0.00 36.38 31.13 1ppq s VAL 970 CO 0.43 0.08 0.83 0.59 -3.33 0.00 0.00 175.10 173.69 1ppq n ASN 971 N 0.24 -5.45 0.00 3.54 3.02 -1.26 -4.68 115.26 110.67 1ppq n ASN 971 Ca 0.03 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1ppq n ASN 971 Cb 0.42 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 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 -1.53 -0.52 3.64 7.41 0.00 -1.22 -0.23 105.19 112.74 1ppq n GLY 972 Ca -0.10 -0.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.69 0.55 0.33 1.61 0.23 -0.95 -4.78 119.30 114.59 1ppq s MET 973 Ca 0.00 0.72 -0.25 0.00 -1.03 0.00 0.00 55.69 55.13 1ppq s MET 973 Cb 0.00 0.23 -0.10 0.00 -1.53 0.00 0.00 34.83 33.43 1ppq s MET 973 CO 0.00 -0.08 0.94 0.54 -2.03 0.00 0.00 175.02 174.39 1ppq s VAL 974 N 0.57 4.24 0.00 5.16 0.11 -1.26 -3.67 120.40 125.55 1ppq s VAL 974 Ca -0.01 1.78 -0.23 0.00 -2.93 0.00 0.00 61.98 60.60 1ppq s VAL 974 Cb -0.05 -3.96 -0.13 0.00 -1.53 0.00 0.00 36.38 30.72 1ppq s VAL 974 CO -0.08 0.09 0.97 -0.74 -3.33 0.00 0.00 175.10 172.01 1ppq h HIS 975 N 3.03 -0.76 -5.09 1.54 2.76 -1.80 -3.49 115.15 111.33 1ppq h HIS 975 Ca -0.47 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 57.69 1ppq h HIS 975 Cb 1.19 0.25 -0.10 0.00 1.55 0.00 0.00 27.41 30.30 1ppq h HIS 975 CO 0.62 -0.48 -1.30 0.28 -1.30 0.00 0.00 177.93 175.75 1ppq n VAL 976 N -5.19-11.33 0.00 5.26 0.31 -1.26 -4.95 118.33 101.17 1ppq n VAL 976 Ca -0.10 2.47 0.00 0.00 -0.01 0.00 0.00 64.34 66.70 1ppq n VAL 976 Cb 0.32 -5.90 0.00 0.00 -0.91 0.00 0.00 33.84 27.35 1ppq n VAL 976 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1ppq n ILE 977 N 1.86 0.00 0.09 2.52 2.08 -1.26 -4.98 119.36 119.67 1ppq n ILE 977 Ca -0.31 1.17 0.00 0.00 0.56 0.00 0.00 62.75 64.17 1ppq n ILE 977 Cb 0.48 -2.09 0.00 0.00 -0.75 0.00 0.00 39.64 37.28 1ppq n ILE 977 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 1ppq n THR 978 N -1.11 0.00 0.73 1.39 -1.04 -1.26 -4.95 114.28 108.04 1ppq n THR 978 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.09 1ppq n THR 978 Cb 0.00 -0.01 -0.05 0.00 -1.82 0.00 0.00 70.33 68.45 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 -2.86 1.13 -4.00 8.00 8.00 -1.26 -4.99 116.55 120.57 1ppq n ASP 979 Ca 0.00 -1.06 -0.28 0.00 0.71 0.00 0.00 54.79 54.15 1ppq n ASP 979 Cb 0.00 0.77 -0.08 0.00 -0.02 0.00 0.00 41.12 41.79 1ppq n ASP 979 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1ppq n ILE 980 N -0.83 -0.57 -2.25 0.53 -5.35 -1.26 -4.60 119.36 105.02 1ppq n ILE 980 Ca 0.05 -0.29 -0.07 0.00 -0.27 0.00 0.00 62.75 62.17 1ppq n ILE 980 Cb 0.29 -0.70 0.04 0.00 -1.74 0.00 0.00 39.64 37.53 1ppq n ILE 980 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ppq n GLN 981 N -3.79 0.32 -1.73 6.28 6.02 -1.26 -1.81 117.38 121.42 1ppq n GLN 981 Ca -0.16 -0.82 -0.42 0.00 -0.01 0.00 0.00 57.00 55.59 1ppq n GLN 981 Cb 0.51 -0.23 -0.02 0.00 1.02 0.00 0.00 30.24 31.53 1ppq n GLN 981 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1ppq n VAL 982 N -1.91 0.77 0.00 5.09 3.14 -1.24 -1.77 118.33 122.41 1ppq n VAL 982 Ca 0.05 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 1ppq n VAL 982 Cb 0.18 -1.88 0.00 0.00 -1.06 0.00 0.00 33.84 31.08 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 2.57 3.24 3.82 7.55 0.00 -1.25 -5.03 105.19 116.08 1ppq n GLY 983 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 5.58 -0.19 1.61 0.15 -0.73 -4.84 113.70 114.90 1ppq s SER 984 Ca 0.00 1.67 -0.04 0.00 0.70 0.00 0.00 55.95 58.28 1ppq s SER 984 Cb 0.00 -2.51 0.06 0.00 -1.71 0.00 0.00 66.02 61.86 1ppq s SER 984 CO 0.00 -1.31 0.06 -0.60 1.20 0.00 0.00 173.24 172.59 1ppq s ARG 985 N -4.71 0.42 0.51 5.44 3.52 -1.26 -3.22 118.95 119.65 1ppq s ARG 985 Ca 0.60 -0.29 0.05 0.00 -0.13 0.00 0.00 55.73 55.95 1ppq s ARG 985 Cb -0.14 -2.00 0.04 0.00 -1.56 0.00 0.00 34.95 31.28 1ppq s ARG 985 CO 0.48 -0.66 0.71 0.96 -0.81 0.00 0.00 175.30 175.98 1ppq s ILE 986 N 1.97 2.71 -0.05 4.11 -4.36 -1.24 -4.85 121.20 119.49 1ppq s ILE 986 Ca 0.00 -0.84 0.01 0.00 -0.26 0.00 0.00 60.65 59.56 1ppq s ILE 986 Cb -0.17 -2.87 0.02 0.00 1.25 0.00 0.00 42.46 40.69 1ppq s ILE 986 CO -0.09 0.00 -0.05 0.42 0.24 0.00 0.00 174.94 175.47 1ppq s THR 987 N -2.60 0.58 -0.19 8.37 -4.23 -1.26 -3.08 115.64 113.23 1ppq s THR 987 Ca 0.58 -0.14 -0.19 0.00 -1.18 0.00 0.00 61.69 60.76 1ppq s THR 987 Cb -0.09 -0.61 -0.03 0.00 1.34 0.00 0.00 72.50 73.11 1ppq s THR 987 CO 0.37 0.24 0.52 -0.31 -0.54 0.00 0.00 174.62 174.90 1ppq s TYR 988 N 0.98 3.38 -0.06 3.99 2.02 -0.67 -2.11 117.35 124.89 1ppq s TYR 988 Ca -0.10 0.79 0.01 0.00 -0.37 0.00 0.00 57.07 57.40 1ppq s TYR 988 Cb -0.14 -2.67 0.02 0.00 -0.40 0.00 0.00 41.96 38.77 1ppq s TYR 988 CO -0.00 -0.08 -0.07 -1.54 -1.57 0.00 0.00 175.55 172.29 1ppq s SER 989 N 1.11 1.30 0.63 2.29 1.04 -1.24 -4.76 113.70 114.08 1ppq s SER 989 Ca 0.24 -0.19 -0.02 0.00 0.48 0.00 0.00 55.95 56.47 1ppq s SER 989 Cb -0.15 -0.58 0.07 0.00 0.10 0.00 0.00 66.02 65.45 1ppq s SER 989 CO 0.10 -0.04 0.43 0.00 0.98 0.00 0.00 173.24 174.71 1ppq s THR 991 N -1.34 4.51 -0.03 0.00 -1.32 0.69 -4.78 115.64 113.38 1ppq s THR 991 Ca 0.27 1.06 -0.33 0.00 -1.21 0.00 0.00 61.69 61.49 1ppq s THR 991 Cb -0.01 -3.73 -0.11 0.00 -1.51 0.00 0.00 72.50 67.14 1ppq s THR 991 CO 0.18 -0.83 1.91 1.07 -2.21 0.00 0.00 174.62 174.74 1ppq n THR 992 N -2.05 0.63 0.00 5.08 5.66 -1.26 -2.41 114.28 119.92 1ppq n THR 992 Ca 0.07 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1ppq n THR 992 Cb 0.54 -2.04 0.00 0.00 -1.55 0.00 0.00 70.33 67.28 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 4.43 1.41 2.98 1.09 0.00 -1.26 -5.12 105.19 108.72 1ppq n GLY 993 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 0.43 0.14 1.61 4.02 -1.01 -2.58 115.29 115.89 1ppq s HIS 994 Ca 0.00 -0.28 0.05 0.00 1.02 0.00 0.00 55.06 55.84 1ppq s HIS 994 Cb 0.00 -0.27 -0.04 0.00 -1.02 0.00 0.00 32.58 31.25 1ppq s HIS 994 CO 0.00 -0.06 0.10 0.50 1.02 0.00 0.00 174.74 176.30 1ppq s ARG 995 N -0.81 2.82 -0.07 1.40 3.52 -0.46 -4.83 118.95 120.52 1ppq s ARG 995 Ca -0.05 -0.85 -0.30 0.00 -0.13 0.00 0.00 55.73 54.40 1ppq s ARG 995 Cb -0.06 -2.63 -0.03 0.00 -1.56 0.00 0.00 34.95 30.68 1ppq s ARG 995 CO -0.00 0.50 1.17 -1.17 -0.81 0.00 0.00 175.30 174.99 1ppq s LEU 996 N -2.87 4.27 -1.21 -0.88 1.98 -1.26 -2.20 118.68 116.50 1ppq s LEU 996 Ca 0.30 1.77 -0.18 0.00 -2.89 0.00 0.00 54.13 53.13 1ppq s LEU 996 Cb -0.11 -3.56 0.10 0.00 0.66 0.00 0.00 46.19 43.28 1ppq s LEU 996 CO 0.22 -0.57 1.58 -0.63 -1.89 0.00 0.00 176.35 175.06 1ppq s ILE 997 N 2.23 4.37 0.00 6.68 -1.09 -0.06 -4.46 121.20 128.86 1ppq s ILE 997 Ca 0.55 -1.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.06 1ppq s ILE 997 Cb -0.24 -5.08 0.00 0.00 -1.58 0.00 0.00 42.46 35.57 1ppq s ILE 997 CO 0.21 -1.87 0.00 0.61 -1.23 0.00 0.00 174.94 172.66 1ppq n GLY 998 N 5.29 -0.58 0.00 6.18 0.00 -1.26 -3.64 105.19 111.18 1ppq n GLY 998 Ca 0.42 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 0.00 1.61 -0.00 -1.26 -5.10 115.22 110.46 1ppq n HIS 999 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1ppq n HIS 999 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 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 -0.89 0.00 -3.49 0.26 3.41 -1.26 -4.81 113.62 106.83 1ppq n SER 1000Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 1ppq n SER 1000Cb 0.00 0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 63.95 1ppq n SER 1000CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ppq s SER 1001N -1.87 1.92 0.24 4.04 1.04 -1.26 -1.67 113.70 116.13 1ppq s SER 1001Ca 0.00 -1.75 -0.01 0.00 0.48 0.00 0.00 55.95 54.66 1ppq s SER 1001Cb 0.00 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 1ppq s SER 1001CO 0.00 -1.05 0.22 0.00 0.98 0.00 0.00 173.24 173.39 1ppq s ALA 1002N -3.39 1.08 -0.06 5.32 0.00 -1.18 -4.65 121.76 118.88 1ppq s ALA 1002Ca 0.37 -1.65 -0.05 0.00 0.00 0.00 0.00 51.96 50.64 1ppq s ALA 1002Cb 0.02 1.35 0.02 0.00 0.00 0.00 0.00 23.12 24.51 1ppq s ALA 1002CO 0.25 -0.65 0.16 -2.00 0.00 0.00 0.00 175.76 173.52 1ppq s GLU 1003N -3.96 0.17 -0.79 0.00 2.12 -1.26 -3.67 118.70 111.30 1ppq s GLU 1003Ca 0.37 0.26 -0.26 0.00 0.36 0.00 0.00 54.97 55.70 1ppq s GLU 1003Cb 0.05 0.03 -0.10 0.00 0.26 0.00 0.00 34.13 34.36 1ppq s GLU 1003CO 0.15 -0.06 2.26 0.00 -0.54 0.00 0.00 175.26 177.08 1ppq s ILE 1005N 13.11 4.45 -0.20 0.00 -4.36 -1.18 -3.93 121.20 129.09 1ppq s ILE 1005Ca 0.86 -1.08 -0.07 0.00 -0.26 0.00 0.00 60.65 60.10 1ppq s ILE 1005Cb -0.12 -3.26 -0.04 0.00 1.25 0.00 0.00 42.46 40.29 1ppq s ILE 1005CO 0.08 -0.10 0.06 -0.76 0.24 0.00 0.00 174.94 174.46 1ppq s LEU 1006N -3.05 3.66 -0.06 0.37 1.43 -1.26 -1.45 118.68 118.32 1ppq s LEU 1006Ca 0.31 -0.02 0.13 0.00 -1.03 0.00 0.00 54.13 53.52 1ppq s LEU 1006Cb -0.10 -1.94 -0.20 0.00 0.03 0.00 0.00 46.19 43.98 1ppq s LEU 1006CO 0.23 0.11 0.22 -1.20 0.23 0.00 0.00 176.35 175.94 1ppq n SER 1007N 3.96 1.84 0.00 2.29 7.64 -1.26 -5.00 113.62 123.09 1ppq n SER 1007Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1ppq n SER 1007Cb 0.52 1.36 0.00 0.00 -1.01 0.00 0.00 64.21 65.08 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 1.88 -0.95 0.23 0.23 0.00 -1.26 -5.02 105.19 100.31 1ppq n GLY 1008Ca -0.09 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1ppq n GLY 1008CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ppq n ASN 1009N -0.84 0.04 -3.74 1.61 0.23 -1.26 -5.07 115.26 106.23 1ppq n ASN 1009Ca 0.00 -1.49 -0.12 0.00 -0.53 0.00 0.00 54.58 52.44 1ppq n ASN 1009Cb 0.00 -0.10 -0.12 0.00 -2.08 0.00 0.00 39.78 37.49 1ppq n ASN 1009CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1ppq s THR 1010N -0.03 -0.02 -0.29 5.53 2.01 -1.26 -5.12 115.64 116.45 1ppq s THR 1010Ca 0.00 0.07 -0.29 0.00 0.31 0.00 0.00 61.69 61.79 1ppq s THR 1010Cb 0.00 -0.44 -0.00 0.00 0.01 0.00 0.00 72.50 72.07 1ppq s THR 1010CO 0.00 0.03 1.32 0.00 -0.69 0.00 0.00 174.62 175.28 1ppq s ALA 1011N 0.81 3.36 0.02 7.40 0.00 -1.26 -4.08 121.76 128.02 1ppq s ALA 1011Ca -0.05 0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.10 1ppq s ALA 1011Cb -0.06 -3.78 -0.02 0.00 0.00 0.00 0.00 23.12 19.26 1ppq s ALA 1011CO -0.05 -1.77 -0.19 -1.01 0.00 0.00 0.00 175.76 172.74 1ppq s HIS 1012N 4.41 1.63 0.49 0.00 3.76 -0.53 -4.72 115.29 120.34 1ppq s HIS 1012Ca 0.57 -0.35 -0.22 0.00 -0.15 0.00 0.00 55.06 54.91 1ppq s HIS 1012Cb -0.17 -1.00 -0.07 0.00 1.11 0.00 0.00 32.58 32.45 1ppq s HIS 1012CO 0.23 0.04 1.20 -1.58 -0.85 0.00 0.00 174.74 173.79 1ppq s TRP 1013N -0.69 2.72 0.01 1.40 0.52 -1.26 -3.10 118.94 118.54 1ppq s TRP 1013Ca 0.06 1.50 -0.09 0.00 0.02 0.00 0.00 56.10 57.60 1ppq s TRP 1013Cb -0.08 -3.46 -0.05 0.00 -1.15 0.00 0.00 33.47 28.73 1ppq s TRP 1013CO 0.01 -1.81 1.13 0.66 0.02 0.00 0.00 176.95 176.96 1ppq h SER 1014N 1.81 -0.27 -4.15 2.95 4.64 -1.92 -3.44 113.55 113.18 1ppq h SER 1014Ca -0.50 0.01 -0.51 0.00 -0.47 0.00 0.00 61.79 60.33 1ppq h SER 1014Cb 1.26 0.07 0.09 0.00 -0.31 0.00 0.00 62.40 63.51 1ppq h SER 1014CO 0.59 -0.19 0.40 0.28 -0.87 0.00 0.00 176.83 177.04 1ppq s THR 1015N -3.68 3.21 0.63 2.95 -1.32 -1.26 -5.03 115.64 111.14 1ppq s THR 1015Ca -0.05 0.65 -0.11 0.00 -1.21 0.00 0.00 61.69 60.97 1ppq s THR 1015Cb 0.00 -3.19 -0.03 0.00 -1.51 0.00 0.00 72.50 67.77 1ppq s THR 1015CO 0.14 -0.27 1.04 -1.59 -2.21 0.00 0.00 174.62 171.73 1ppq s LYS 1016N -3.73 3.48 -0.59 7.08 0.00 -1.26 -4.91 119.74 119.80 1ppq s LYS 1016Ca 0.70 0.71 -0.37 0.00 0.00 0.00 0.00 55.97 57.01 1ppq s LYS 1016Cb -0.22 -2.07 -0.17 0.00 0.00 0.00 0.00 37.83 35.37 1ppq s LYS 1016CO 0.35 -0.65 2.32 -2.30 0.00 0.00 0.00 175.35 175.07 1ppq n PRO 1017N -2.79 0.36 -2.36 1.78 -0.02 -1.26 -4.87 135.00 125.83 1ppq n PRO 1017Ca 0.06 0.08 -0.35 0.00 -2.02 0.00 0.00 63.50 61.26 1ppq n PRO 1017Cb 0.54 -1.89 -0.01 0.00 -0.02 0.00 0.00 33.50 32.12 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 7.02 3.66 0.35 0.52 0.04 -1.26 -5.03 135.00 140.30 1ppq s PRO 1018Ca 1.20 1.58 0.09 0.00 0.04 0.00 0.00 61.00 63.91 1ppq s PRO 1018Cb -1.17 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.12 1ppq s PRO 1018CO 0.54 -0.59 0.05 0.42 0.04 0.00 0.00 177.00 177.46 1ppq s ILE 1019N -1.75 2.66 -0.35 0.56 -1.09 -1.24 -4.90 121.20 115.09 1ppq s ILE 1019Ca 0.67 -1.90 -0.05 0.00 -2.23 0.00 0.00 60.65 57.14 1ppq s ILE 1019Cb -0.23 -2.85 0.06 0.00 -1.58 0.00 0.00 42.46 37.86 1ppq s ILE 1019CO 0.27 -0.18 0.11 0.00 -1.23 0.00 0.00 174.94 173.92 1ppq s GLN 1021N 1.31 3.81 -0.54 0.00 -2.07 -0.93 -4.89 119.66 116.35 1ppq s GLN 1021Ca -0.00 0.25 -0.27 0.00 -1.82 0.00 0.00 55.36 53.51 1ppq s GLN 1021Cb -0.21 -2.91 0.03 0.00 -1.09 0.00 0.00 33.01 28.83 1ppq s GLN 1021CO 0.00 0.49 1.12 0.50 -1.32 0.00 0.00 175.29 176.08 1ppq s ARG 1022N -2.13 3.53 0.11 9.60 3.00 -1.26 -1.35 118.95 130.44 1ppq s ARG 1022Ca 0.37 0.22 -0.31 0.00 -1.00 0.00 0.00 55.73 55.01 1ppq s ARG 1022Cb -0.14 -3.99 -0.09 0.00 0.00 0.00 0.00 34.95 30.74 1ppq s ARG 1022CO 0.19 -1.55 1.54 0.42 0.00 0.00 0.00 175.30 175.91 1ppq s ILE 1023N 4.58 3.00 -2.00 4.11 1.01 -1.07 -4.97 121.20 125.87 1ppq s ILE 1023Ca 0.41 0.62 0.13 0.00 0.00 0.00 0.00 60.65 61.82 1ppq s ILE 1023Cb -0.08 -3.40 0.37 0.00 0.01 0.00 0.00 42.46 39.36 1ppq s ILE 1023CO 0.26 0.03 1.21 -0.81 0.00 0.00 0.00 174.94 175.62