#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xj1 s ILE 8 N 0.88 4.55 0.00 0.00 1.10 -0.79 -4.99 121.20 121.95 1xj1 s ILE 8 Ca 0.72 1.06 0.00 0.00 -0.51 0.00 0.00 60.65 61.92 1xj1 s ILE 8 Cb -0.49 -3.75 0.00 0.00 0.15 0.00 0.00 42.46 38.37 1xj1 s ILE 8 CO 0.36 -0.86 0.00 0.61 -2.11 0.00 0.00 174.94 172.94 1xj1 n GLY 9 N -2.00 -0.42 3.65 1.50 0.00 -1.26 -4.68 105.19 101.98 1xj1 n GLY 9 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1xj1 n GLY 9 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xj1 s HIS 10 N -0.96 -0.34 -1.11 1.61 -3.43 -1.26 -5.01 115.29 104.79 1xj1 s HIS 10 Ca 0.00 0.73 -0.05 0.00 -0.80 0.00 0.00 55.06 54.93 1xj1 s HIS 10 Cb 0.00 0.28 -0.05 0.00 -1.43 0.00 0.00 32.58 31.39 1xj1 s HIS 10 CO 0.00 -0.17 0.92 0.66 -2.00 0.00 0.00 174.74 174.15 1xj1 n TYR 11 N 3.00 -2.34 -3.58 0.38 4.02 0.29 -5.01 117.16 113.92 1xj1 n TYR 11 Ca -0.16 0.85 -0.26 0.00 -0.01 0.00 0.00 57.90 58.33 1xj1 n TYR 11 Cb 0.57 -4.34 -0.02 0.00 -0.02 0.00 0.00 39.34 35.52 1xj1 n TYR 11 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1xj1 s GLN 12 N -4.81 3.51 -0.39 -0.72 2.00 -0.87 -4.74 119.66 113.64 1xj1 s GLN 12 Ca 0.32 -0.35 -0.29 0.00 -2.00 0.00 0.00 55.36 53.04 1xj1 s GLN 12 Cb -0.05 -2.76 0.02 0.00 0.80 0.00 0.00 33.01 31.02 1xj1 s GLN 12 CO 0.75 0.30 1.11 0.15 -0.50 0.00 0.00 175.29 177.10 1xj1 s LYS 13 N -3.76 3.90 -0.01 1.67 1.02 -1.26 0.91 119.74 122.20 1xj1 s LYS 13 Ca 0.39 0.84 0.08 0.00 0.02 0.00 0.00 55.97 57.30 1xj1 s LYS 13 Cb -0.10 -3.82 -0.13 0.00 -0.52 0.00 0.00 37.83 33.25 1xj1 s LYS 13 CO 0.31 -1.14 0.18 0.00 -0.92 0.00 0.00 175.35 173.79 1xj1 h VAL 15 N 0.00 1.21 0.00 0.00 3.04 -1.69 -3.25 116.25 115.57 1xj1 h VAL 15 Ca -0.00 -0.96 -0.19 0.00 -1.01 0.00 0.00 66.70 64.54 1xj1 h VAL 15 Cb 0.39 1.28 -0.04 0.00 -2.01 0.00 0.00 31.29 30.92 1xj1 h VAL 15 CO 0.00 0.30 -1.82 -0.46 -1.01 0.00 0.00 177.57 174.58 1xj1 n ASN 16 N -4.22 1.90 -4.64 3.17 6.94 -1.26 -5.03 115.26 112.12 1xj1 n ASN 16 Ca -0.01 0.00 -0.28 0.00 -0.02 0.00 0.00 54.58 54.28 1xj1 n ASN 16 Cb 0.32 0.94 -0.11 0.00 -2.36 0.00 0.00 39.78 38.57 1xj1 n ASN 16 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xj1 s ALA 17 N -2.41 3.23 -0.30 -2.53 0.00 -1.22 -5.13 121.76 113.41 1xj1 s ALA 17 Ca -0.06 -2.25 -0.03 0.00 0.00 0.00 0.00 51.96 49.62 1xj1 s ALA 17 Cb 0.05 0.11 0.10 0.00 0.00 0.00 0.00 23.12 23.38 1xj1 s ALA 17 CO 0.52 -0.12 0.13 -0.51 0.00 0.00 0.00 175.76 175.78 1xj1 s ASP 18 N -3.73 3.55 0.17 0.00 1.01 -1.26 -4.04 116.67 112.36 1xj1 s ASP 18 Ca 0.35 -1.39 0.08 0.00 0.71 0.00 0.00 52.55 52.30 1xj1 s ASP 18 Cb 0.09 -0.41 -0.04 0.00 1.01 0.00 0.00 42.92 43.57 1xj1 s ASP 18 CO 0.18 -0.43 -0.18 -0.54 0.21 0.00 0.00 175.17 174.42 1xj1 s LYS 19 N 1.97 1.27 -0.02 8.23 1.02 -1.26 -5.11 119.74 125.83 1xj1 s LYS 19 Ca 0.10 -1.41 -0.30 0.00 0.02 0.00 0.00 55.97 54.37 1xj1 s LYS 19 Cb -0.17 -1.30 -0.05 0.00 -0.52 0.00 0.00 37.83 35.79 1xj1 s LYS 19 CO -0.33 0.26 1.50 -1.25 -0.92 0.00 0.00 175.35 174.61 1xj1 s PRO 20 N -2.85 4.23 -1.13 -1.68 0.04 -1.26 -4.95 135.00 127.42 1xj1 s PRO 20 Ca 0.16 2.05 -0.07 0.00 0.04 0.00 0.00 61.00 63.18 1xj1 s PRO 20 Cb -0.05 -3.72 0.27 0.00 0.04 0.00 0.00 34.50 31.04 1xj1 s PRO 20 CO 0.06 -0.69 1.44 0.00 0.04 0.00 0.00 177.00 177.85 1xj1 s SER 23 N -2.37 5.57 -0.26 0.00 0.01 -1.26 -4.20 113.70 111.20 1xj1 s SER 23 Ca 0.69 0.62 -0.01 0.00 1.31 0.00 0.00 55.95 58.56 1xj1 s SER 23 Cb -0.26 -1.63 0.08 0.00 0.21 0.00 0.00 66.02 64.43 1xj1 s SER 23 CO 0.66 -1.05 0.04 -0.54 0.41 0.00 0.00 173.24 172.76 1xj1 s LYS 24 N -4.94 0.98 -0.86 12.44 1.02 0.26 -4.92 119.74 123.71 1xj1 s LYS 24 Ca 0.54 -0.91 -0.22 0.00 0.02 0.00 0.00 55.97 55.39 1xj1 s LYS 24 Cb -0.10 -2.26 0.08 0.00 -0.52 0.00 0.00 37.83 35.02 1xj1 s LYS 24 CO 0.44 -0.78 1.21 -0.08 -0.92 0.00 0.00 175.35 175.22 1xj1 s THR 25 N 1.58 4.23 -0.64 2.17 -1.32 -1.26 -1.20 115.64 119.21 1xj1 s THR 25 Ca 0.03 -0.73 -0.23 0.00 -1.21 0.00 0.00 61.69 59.54 1xj1 s THR 25 Cb -0.18 -4.86 0.06 0.00 -1.51 0.00 0.00 72.50 66.01 1xj1 s THR 25 CO -0.14 -1.68 0.99 0.68 -2.21 0.00 0.00 174.62 172.25 1xj1 s VAL 26 N 4.18 4.28 0.68 5.08 -7.23 -0.89 -4.99 120.40 121.51 1xj1 s VAL 26 Ca 0.35 -0.10 -0.11 0.00 -1.81 0.00 0.00 61.98 60.30 1xj1 s VAL 26 Cb -0.07 -4.66 0.16 0.00 0.56 0.00 0.00 36.38 32.37 1xj1 s VAL 26 CO -0.01 -1.40 0.75 -1.14 -0.31 0.00 0.00 175.10 172.99 1xj1 n ARG 27 N 7.80 -1.53 -2.65 4.82 0.63 -1.26 -4.48 116.66 120.00 1xj1 n ARG 27 Ca -0.02 -1.18 -0.02 0.00 -0.92 0.00 0.00 57.85 55.72 1xj1 n ARG 27 Cb 0.46 -0.92 -0.02 0.00 0.45 0.00 0.00 32.46 32.43 1xj1 n ARG 27 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1xj1 n TYR 28 N -3.53 -4.12 0.00 -0.14 4.02 -1.26 -4.95 117.16 107.19 1xj1 n TYR 28 Ca 0.10 2.05 0.00 0.00 -0.01 0.00 0.00 57.90 60.04 1xj1 n TYR 28 Cb 0.36 -3.95 0.00 0.00 -0.02 0.00 0.00 39.34 35.73 1xj1 n TYR 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xj1 n GLY 29 N 1.05 0.31 2.09 2.72 0.00 -1.26 -5.02 105.19 105.07 1xj1 n GLY 29 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1xj1 n GLY 29 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xj1 n ASP 30 N 0.00 -1.55 0.04 1.61 2.03 -1.26 -5.09 116.55 112.33 1xj1 n ASP 30 Ca 0.00 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1xj1 n ASP 30 Cb 0.00 1.72 0.00 0.00 -0.72 0.00 0.00 41.12 42.12 1xj1 n ASP 30 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1xj1 n SER 31 N -2.88 -0.65 -3.77 1.67 2.88 -1.26 -5.14 113.62 104.48 1xj1 n SER 31 Ca 0.00 0.32 -0.13 0.00 -1.33 0.00 0.00 58.87 57.72 1xj1 n SER 31 Cb 0.00 0.85 -0.14 0.00 -0.75 0.00 0.00 64.21 64.17 1xj1 n SER 31 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1xj1 s LYS 32 N -1.50 0.11 -0.28 -1.46 1.02 -1.26 -4.85 119.74 111.53 1xj1 s LYS 32 Ca 0.00 0.32 -0.00 0.00 0.02 0.00 0.00 55.97 56.31 1xj1 s LYS 32 Cb 0.00 -0.11 0.16 0.00 -0.52 0.00 0.00 37.83 37.37 1xj1 s LYS 32 CO 0.00 -0.12 0.48 -0.80 -0.92 0.00 0.00 175.35 173.99 1xj1 s ASN 33 N 0.86 -0.51 -0.22 2.83 -0.87 -1.26 -5.11 114.94 110.67 1xj1 s ASN 33 Ca -0.07 0.34 -0.05 0.00 -1.57 0.00 0.00 52.86 51.52 1xj1 s ASN 33 Cb -0.09 1.58 -0.02 0.00 -0.02 0.00 0.00 41.25 42.71 1xj1 s ASN 33 CO -0.04 -0.30 -0.01 0.68 -2.57 0.00 0.00 177.10 174.86 1xj1 s VAL 34 N 2.68 3.74 0.03 1.60 -7.23 -1.26 -2.10 120.40 117.85 1xj1 s VAL 34 Ca 0.15 -0.38 -0.18 0.00 -1.81 0.00 0.00 61.98 59.76 1xj1 s VAL 34 Cb -0.14 -2.70 -0.06 0.00 0.56 0.00 0.00 36.38 34.04 1xj1 s VAL 34 CO -0.21 0.41 0.51 -0.13 -0.31 0.00 0.00 175.10 175.37 1xj1 s ARG 35 N 1.30 4.14 -0.28 4.82 3.00 -0.34 -4.87 118.95 126.71 1xj1 s ARG 35 Ca 0.04 0.61 0.01 0.00 0.00 0.00 0.00 55.73 56.39 1xj1 s ARG 35 Cb -0.15 -3.26 0.06 0.00 0.00 0.00 0.00 34.95 31.60 1xj1 s ARG 35 CO 0.00 0.59 -0.07 0.21 0.00 0.00 0.00 175.30 176.03 1xj1 s LYS 36 N -0.86 2.31 -0.06 3.54 2.20 -0.97 -0.58 119.74 125.33 1xj1 s LYS 36 Ca 0.27 -1.32 -0.26 0.00 -0.36 0.00 0.00 55.97 54.31 1xj1 s LYS 36 Cb -0.18 -3.00 -0.03 0.00 -1.51 0.00 0.00 37.83 33.11 1xj1 s LYS 36 CO 0.16 -0.59 0.80 -0.06 -0.36 0.00 0.00 175.35 175.30 1xj1 s PHE 37 N 1.16 3.58 0.02 4.03 0.40 -1.26 0.10 117.98 126.01 1xj1 s PHE 37 Ca -0.08 1.38 0.09 0.00 -0.60 0.00 0.00 56.93 57.72 1xj1 s PHE 37 Cb -0.20 -2.92 -0.03 0.00 0.51 0.00 0.00 43.02 40.38 1xj1 s PHE 37 CO -0.03 0.02 -0.26 0.96 0.70 0.00 0.00 175.22 176.60 1xj1 s ILE 38 N 1.03 2.15 -0.82 0.64 -4.36 0.22 -4.72 121.20 115.33 1xj1 s ILE 38 Ca 0.42 -1.29 -0.25 0.00 -0.26 0.00 0.00 60.65 59.27 1xj1 s ILE 38 Cb -0.19 -1.81 0.01 0.00 1.25 0.00 0.00 42.46 41.73 1xj1 s ILE 38 CO 0.20 0.43 1.58 0.00 0.24 0.00 0.00 174.94 177.40 1xj1 s ASP 40 N 5.84 7.06 -0.09 0.00 1.01 0.84 -4.87 116.67 126.47 1xj1 s ASP 40 Ca 0.52 1.32 0.05 0.00 0.71 0.00 0.00 52.55 55.14 1xj1 s ASP 40 Cb -0.06 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.24 1xj1 s ASP 40 CO 0.06 -0.72 -0.02 0.54 0.21 0.00 0.00 175.17 175.25 1xj1 n ARG 41 N 6.44 1.75 -1.37 8.23 5.12 -1.26 -1.17 116.66 134.40 1xj1 n ARG 41 Ca 0.12 0.02 -0.38 0.00 -1.93 0.00 0.00 57.85 55.68 1xj1 n ARG 41 Cb 0.46 -1.21 -0.02 0.00 -1.16 0.00 0.00 32.46 30.53 1xj1 n ARG 41 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1xj1 n ASP 42 N -2.49 6.22 0.00 0.55 5.68 -1.26 -3.73 116.55 121.51 1xj1 n ASP 42 Ca -0.15 -2.64 0.00 0.00 -0.50 0.00 0.00 54.79 51.50 1xj1 n ASP 42 Cb 0.74 -1.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.21 1xj1 n ASP 42 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xj1 n GLY 43 N 3.85 0.13 1.47 6.12 0.00 -1.26 -5.04 105.19 110.46 1xj1 n GLY 43 Ca 0.64 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.79 1xj1 n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xj1 n GLU 44 N 0.00 0.00 0.00 1.61 1.02 -1.24 -5.10 120.64 116.92 1xj1 n GLU 44 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xj1 n GLU 44 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1xj1 n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xj1 n GLY 45 N 1.95 0.41 3.27 0.62 0.00 -0.54 -4.92 105.19 105.98 1xj1 n GLY 45 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1xj1 n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xj1 s VAL 46 N -0.60 0.06 -0.31 1.61 -7.23 -0.32 -1.85 120.40 111.77 1xj1 s VAL 46 Ca 0.00 -1.67 -0.18 0.00 -1.81 0.00 0.00 61.98 58.33 1xj1 s VAL 46 Cb 0.00 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 1xj1 s VAL 46 CO 0.00 -0.28 0.49 0.00 -0.31 0.00 0.00 175.10 175.00 1xj1 s VAL 48 N 2.33 1.77 0.83 0.00 -7.23 -0.67 0.11 120.40 117.52 1xj1 s VAL 48 Ca 0.19 -2.17 -0.14 0.00 -1.81 0.00 0.00 61.98 58.05 1xj1 s VAL 48 Cb -0.16 -2.35 0.02 0.00 0.56 0.00 0.00 36.38 34.45 1xj1 s VAL 48 CO 0.12 -0.37 0.68 -2.65 -0.31 0.00 0.00 175.10 172.57 1xj1 n PRO 49 N -0.55 0.05 -3.66 4.82 -0.02 -1.26 -0.61 135.00 133.77 1xj1 n PRO 49 Ca -0.06 0.07 -0.09 0.00 -2.02 0.00 0.00 63.50 61.40 1xj1 n PRO 49 Cb 0.62 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 32.07 1xj1 n PRO 49 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1xj1 s PHE 50 N -2.15 -0.35 -0.03 6.00 5.36 0.28 -4.65 117.98 122.44 1xj1 s PHE 50 Ca 0.65 0.01 -0.03 0.00 -0.96 0.00 0.00 56.93 56.59 1xj1 s PHE 50 Cb -0.28 0.64 0.01 0.00 -0.34 0.00 0.00 43.02 43.05 1xj1 s PHE 50 CO 0.59 -1.05 0.06 -0.25 -1.46 0.00 0.00 175.22 173.11 1xj1 n ASP 51 N -0.42 -6.98 0.00 6.13 8.00 -1.26 -2.29 116.55 119.73 1xj1 n ASP 51 Ca -0.10 1.72 0.00 0.00 0.71 0.00 0.00 54.79 57.12 1xj1 n ASP 51 Cb 0.62 -5.10 0.00 0.00 -0.02 0.00 0.00 41.12 36.62 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42