#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 1.16 3.56 0.00 0.00 1.10 -0.69 -4.83 121.20 121.49 1xj1 s ILE 8 Ca -0.09 0.51 0.00 0.00 -0.51 0.00 0.00 60.65 60.56 1xj1 s ILE 8 Cb -0.10 -3.47 0.00 0.00 0.15 0.00 0.00 42.46 39.03 1xj1 s ILE 8 CO -0.07 -0.66 0.00 0.61 -2.11 0.00 0.00 174.94 172.71 1xj1 n GLY 9 N -2.89 0.35 2.73 1.50 0.00 -1.26 -4.10 105.19 101.52 1xj1 n GLY 9 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 0.92 0.04 -1.14 1.61 -3.43 -1.26 -4.89 115.29 107.14 1xj1 s HIS 10 Ca 0.00 0.19 -0.04 0.00 -0.80 0.00 0.00 55.06 54.41 1xj1 s HIS 10 Cb 0.00 -0.33 -0.03 0.00 -1.43 0.00 0.00 32.58 30.78 1xj1 s HIS 10 CO 0.00 -0.13 0.92 0.66 -2.00 0.00 0.00 174.74 174.19 1xj1 n TYR 11 N 4.65 -2.28 -3.63 0.38 4.02 0.40 -5.01 117.16 115.68 1xj1 n TYR 11 Ca -0.18 0.86 -0.21 0.00 -0.01 0.00 0.00 57.90 58.36 1xj1 n TYR 11 Cb 0.50 -4.47 -0.01 0.00 -0.02 0.00 0.00 39.34 35.34 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 -5.00 3.33 -0.39 -0.72 2.00 -0.94 -4.76 119.66 113.17 1xj1 s GLN 12 Ca 0.25 -0.73 -0.29 0.00 -2.00 0.00 0.00 55.36 52.59 1xj1 s GLN 12 Cb -0.04 -2.80 0.02 0.00 0.80 0.00 0.00 33.01 30.99 1xj1 s GLN 12 CO 0.75 0.21 1.11 0.15 -0.50 0.00 0.00 175.29 177.02 1xj1 s LYS 13 N -4.15 3.90 -0.01 1.67 3.01 -1.26 0.80 119.74 123.70 1xj1 s LYS 13 Ca 0.39 0.84 -0.18 0.00 -1.01 0.00 0.00 55.97 56.02 1xj1 s LYS 13 Cb -0.09 -3.82 -0.34 0.00 -1.01 0.00 0.00 37.83 32.57 1xj1 s LYS 13 CO 0.32 -1.14 0.92 0.00 0.51 0.00 0.00 175.35 175.96 1xj1 h VAL 15 N -0.05 1.05 -0.44 0.00 2.07 -1.91 -3.36 116.25 113.61 1xj1 h VAL 15 Ca -0.23 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.65 1xj1 h VAL 15 Cb 1.98 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 33.64 1xj1 h VAL 15 CO 0.22 0.33 0.25 -1.13 0.02 0.00 0.00 177.57 177.26 1xj1 h ASN 16 N -0.95 0.55 -3.34 0.57 -0.73 -1.86 -3.41 115.58 106.41 1xj1 h ASN 16 Ca -0.01 -0.08 -0.65 0.00 1.87 0.00 0.00 56.30 57.43 1xj1 h ASN 16 Cb 0.59 -0.14 -0.26 0.00 0.27 0.00 0.00 38.32 38.78 1xj1 h ASN 16 CO 0.01 0.47 -0.73 0.00 -0.37 0.00 0.00 177.43 176.82 1xj1 s ALA 17 N -5.88 2.78 -1.17 1.57 0.00 -0.87 -5.05 121.76 113.14 1xj1 s ALA 17 Ca -0.13 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 1xj1 s ALA 17 Cb 0.11 -1.46 0.21 0.00 0.00 0.00 0.00 23.12 21.98 1xj1 s ALA 17 CO 0.74 0.02 1.32 0.34 0.00 0.00 0.00 175.76 178.18 1xj1 s ASP 18 N 0.71 7.16 -0.03 0.00 2.15 -1.26 -3.96 116.67 121.44 1xj1 s ASP 18 Ca -0.04 -3.20 0.02 0.00 0.43 0.00 0.00 52.55 49.76 1xj1 s ASP 18 Cb -0.15 -2.33 0.01 0.00 -0.30 0.00 0.00 42.92 40.14 1xj1 s ASP 18 CO 0.02 -0.59 -0.09 -0.54 -0.17 0.00 0.00 175.17 173.81 1xj1 s LYS 19 N 0.59 1.01 0.43 4.34 1.02 -1.26 -5.13 119.74 120.75 1xj1 s LYS 19 Ca 0.38 -0.29 -0.25 0.00 0.02 0.00 0.00 55.97 55.83 1xj1 s LYS 19 Cb -0.05 -0.94 -0.09 0.00 -0.52 0.00 0.00 37.83 36.23 1xj1 s LYS 19 CO -0.03 0.08 1.34 -2.30 -0.92 0.00 0.00 175.35 173.52 1xj1 n PRO 20 N 3.43 2.06 -2.57 -1.68 -0.02 -1.26 -4.79 135.00 130.17 1xj1 n PRO 20 Ca -0.19 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 1xj1 n PRO 20 Cb 0.54 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1xj1 n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xj1 n SER 23 N -3.73 1.13 -3.63 0.00 7.64 -1.26 -3.50 113.62 110.28 1xj1 n SER 23 Ca 0.15 -1.94 -0.14 0.00 1.01 0.00 0.00 58.87 57.95 1xj1 n SER 23 Cb 0.59 0.43 -0.07 0.00 -1.01 0.00 0.00 64.21 64.16 1xj1 n SER 23 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1xj1 s LYS 24 N -2.68 0.85 -0.01 1.43 -2.85 -1.04 -4.99 119.74 110.45 1xj1 s LYS 24 Ca 0.09 0.97 0.00 0.00 -1.00 0.00 0.00 55.97 56.03 1xj1 s LYS 24 Cb 0.00 0.41 0.01 0.00 -2.06 0.00 0.00 37.83 36.20 1xj1 s LYS 24 CO 0.06 -0.11 0.01 -0.08 0.10 0.00 0.00 175.35 175.33 1xj1 s THR 25 N 0.33 0.05 -0.33 3.79 -1.32 -1.26 -0.30 115.64 116.59 1xj1 s THR 25 Ca -0.00 0.07 -0.26 0.00 -1.21 0.00 0.00 61.69 60.29 1xj1 s THR 25 Cb -0.05 -0.11 0.01 0.00 -1.51 0.00 0.00 72.50 70.84 1xj1 s THR 25 CO 0.01 0.07 0.92 0.54 -2.21 0.00 0.00 174.62 173.95 1xj1 s VAL 26 N 0.54 4.64 -0.48 5.08 0.11 -1.25 -4.98 120.40 124.06 1xj1 s VAL 26 Ca -0.05 1.37 0.03 0.00 -2.93 0.00 0.00 61.98 60.41 1xj1 s VAL 26 Cb -0.07 -4.29 0.16 0.00 -1.53 0.00 0.00 36.38 30.65 1xj1 s VAL 26 CO -0.01 -0.40 0.35 -0.13 -3.33 0.00 0.00 175.10 171.57 1xj1 s ARG 27 N 3.32 1.32 -0.05 1.54 0.52 -1.26 -4.71 118.95 119.64 1xj1 s ARG 27 Ca 0.38 -2.31 0.02 0.00 -0.52 0.00 0.00 55.73 53.29 1xj1 s ARG 27 Cb -0.13 -2.07 0.05 0.00 0.52 0.00 0.00 34.95 33.33 1xj1 s ARG 27 CO 0.15 -1.30 0.90 0.98 0.02 0.00 0.00 175.30 176.04 1xj1 n TYR 28 N 2.88 -0.28 -3.49 -0.53 9.36 -1.26 -5.15 117.16 118.69 1xj1 n TYR 28 Ca 0.22 -0.57 0.00 0.00 3.32 0.00 0.00 57.90 60.87 1xj1 n TYR 28 Cb 0.41 0.60 0.00 0.00 -0.63 0.00 0.00 39.34 39.72 1xj1 n TYR 28 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xj1 n GLY 29 N -0.21 -0.76 0.00 2.98 0.00 -1.26 -5.16 105.19 100.79 1xj1 n GLY 29 Ca -0.21 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 0.43 -1.24 -1.43 1.61 -0.08 -1.26 -4.91 116.55 109.68 1xj1 n ASP 30 Ca 0.00 -0.34 0.18 0.00 -1.51 0.00 0.00 54.79 53.13 1xj1 n ASP 30 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 1xj1 n ASP 30 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1xj1 n SER 31 N -2.87 -8.58 -2.94 1.67 2.88 -1.26 -4.91 113.62 97.61 1xj1 n SER 31 Ca 0.00 0.99 -0.09 0.00 -1.33 0.00 0.00 58.87 58.44 1xj1 n SER 31 Cb 0.00 -4.60 -0.02 0.00 -0.75 0.00 0.00 64.21 58.84 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 -3.18 1.01 -0.20 -1.46 1.02 -1.26 -5.04 119.74 110.64 1xj1 s LYS 32 Ca 0.00 -1.25 0.01 0.00 0.02 0.00 0.00 55.97 54.75 1xj1 s LYS 32 Cb 0.00 -0.36 0.02 0.00 -0.52 0.00 0.00 37.83 36.97 1xj1 s LYS 32 CO 0.00 -1.33 -0.17 -0.80 -0.92 0.00 0.00 175.35 172.12 1xj1 s ASN 33 N 0.76 3.42 0.13 2.83 0.01 -1.26 -5.12 114.94 115.71 1xj1 s ASN 33 Ca 0.30 -0.74 0.04 0.00 -0.71 0.00 0.00 52.86 51.74 1xj1 s ASN 33 Cb 0.00 -1.51 -0.04 0.00 0.41 0.00 0.00 41.25 40.11 1xj1 s ASN 33 CO -0.08 -0.03 0.15 0.68 -1.51 0.00 0.00 177.10 176.31 1xj1 s VAL 34 N 1.28 4.71 0.09 1.60 -7.23 -1.26 -3.80 120.40 115.79 1xj1 s VAL 34 Ca 0.03 -0.87 0.10 0.00 -1.81 0.00 0.00 61.98 59.43 1xj1 s VAL 34 Cb -0.14 -3.36 -0.04 0.00 0.56 0.00 0.00 36.38 33.40 1xj1 s VAL 34 CO -0.11 -0.02 -0.26 -0.60 -0.31 0.00 0.00 175.10 173.80 1xj1 s ARG 35 N -2.87 1.60 -0.15 4.82 3.52 0.59 -4.71 118.95 121.75 1xj1 s ARG 35 Ca 0.31 -1.24 -0.04 0.00 -0.13 0.00 0.00 55.73 54.64 1xj1 s ARG 35 Cb -0.11 -1.95 0.07 0.00 -1.56 0.00 0.00 34.95 31.40 1xj1 s ARG 35 CO 0.24 0.48 0.22 0.21 -0.81 0.00 0.00 175.30 175.64 1xj1 s LYS 36 N -1.75 0.13 -0.05 5.12 2.20 -0.87 -2.51 119.74 122.02 1xj1 s LYS 36 Ca 0.13 0.46 -0.19 0.00 -0.36 0.00 0.00 55.97 56.02 1xj1 s LYS 36 Cb -0.10 -0.61 -0.05 0.00 -1.51 0.00 0.00 37.83 35.57 1xj1 s LYS 36 CO 0.05 -0.45 0.53 -0.06 -0.36 0.00 0.00 175.35 175.05 1xj1 s PHE 37 N 2.34 3.62 0.40 4.03 0.40 -1.23 0.10 117.98 127.66 1xj1 s PHE 37 Ca 0.04 1.05 0.08 0.00 -0.60 0.00 0.00 56.93 57.50 1xj1 s PHE 37 Cb -0.14 -2.55 -0.04 0.00 0.51 0.00 0.00 43.02 40.80 1xj1 s PHE 37 CO -0.09 0.31 0.24 0.96 0.70 0.00 0.00 175.22 177.34 1xj1 s ILE 38 N 0.03 2.51 -0.57 0.64 -4.36 0.86 -4.61 121.20 115.70 1xj1 s ILE 38 Ca 0.28 -1.59 -0.11 0.00 -0.26 0.00 0.00 60.65 58.98 1xj1 s ILE 38 Cb -0.17 -3.00 0.14 0.00 1.25 0.00 0.00 42.46 40.69 1xj1 s ILE 38 CO 0.14 -0.02 0.46 0.00 0.24 0.00 0.00 174.94 175.76 1xj1 s ASP 40 N 2.52 6.32 -0.29 0.00 2.15 -0.67 -4.86 116.67 121.85 1xj1 s ASP 40 Ca 0.09 -0.30 0.11 0.00 0.43 0.00 0.00 52.55 52.88 1xj1 s ASP 40 Cb -0.23 -2.49 0.71 0.00 -0.30 0.00 0.00 42.92 40.61 1xj1 s ASP 40 CO -0.02 -1.43 1.72 -1.14 -0.17 0.00 0.00 175.17 174.14 1xj1 n ARG 41 N 8.09 3.67 -0.13 4.34 0.63 -1.26 -1.93 116.66 130.07 1xj1 n ARG 41 Ca 0.03 -3.08 -0.26 0.00 -0.92 0.00 0.00 57.85 53.63 1xj1 n ARG 41 Cb 0.48 -2.15 -0.09 0.00 0.45 0.00 0.00 32.46 31.16 1xj1 n ARG 41 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1xj1 n ASP 42 N -0.16 1.95 0.00 6.15 8.00 -1.26 -4.75 116.55 126.48 1xj1 n ASP 42 Ca 0.36 0.34 0.00 0.00 0.71 0.00 0.00 54.79 56.20 1xj1 n ASP 42 Cb 1.27 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1xj1 n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xj1 n GLY 43 N 1.30 -0.41 0.05 0.44 0.00 -1.26 -4.83 105.19 100.46 1xj1 n GLY 43 Ca -0.46 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.51 1xj1 n GLY 43 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xj1 n GLU 44 N -0.15 2.08 0.00 1.61 0.28 -1.26 -5.07 120.64 118.13 1xj1 n GLU 44 Ca 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1xj1 n GLU 44 Cb 0.00 -1.23 0.00 0.00 1.43 0.00 0.00 31.44 31.64 1xj1 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xj1 n GLY 45 N 2.56 0.74 3.26 -1.84 0.00 -1.11 -4.94 105.19 103.87 1xj1 n GLY 45 Ca -0.16 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.27 0.11 -0.48 1.61 -7.23 -0.81 -1.98 120.40 110.35 1xj1 s VAL 46 Ca 0.00 -1.32 -0.23 0.00 -1.81 0.00 0.00 61.98 58.62 1xj1 s VAL 46 Cb 0.00 -1.60 0.03 0.00 0.56 0.00 0.00 36.38 35.37 1xj1 s VAL 46 CO 0.00 -0.50 0.82 0.00 -0.31 0.00 0.00 175.10 175.12 1xj1 s VAL 48 N 3.44 3.65 0.88 0.00 -7.23 -0.31 0.15 120.40 120.98 1xj1 s VAL 48 Ca 0.29 -1.77 -0.10 0.00 -1.81 0.00 0.00 61.98 58.58 1xj1 s VAL 48 Cb -0.13 -2.99 0.12 0.00 0.56 0.00 0.00 36.38 33.95 1xj1 s VAL 48 CO 0.21 -0.35 1.12 -2.16 -0.31 0.00 0.00 175.10 173.61 1xj1 s PRO 49 N -3.73 1.32 0.36 4.82 0.04 -1.26 -0.10 135.00 136.45 1xj1 s PRO 49 Ca 0.32 1.38 -0.17 0.00 0.04 0.00 0.00 61.00 62.58 1xj1 s PRO 49 Cb -0.06 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.75 1xj1 s PRO 49 CO 0.21 -2.37 0.78 0.12 0.04 0.00 0.00 177.00 175.79 1xj1 s PHE 50 N -2.73 0.05 -0.06 0.56 5.36 0.29 -4.57 117.98 116.88 1xj1 s PHE 50 Ca 0.65 -0.68 -0.05 0.00 -0.96 0.00 0.00 56.93 55.90 1xj1 s PHE 50 Cb -0.21 0.81 0.02 0.00 -0.34 0.00 0.00 43.02 43.30 1xj1 s PHE 50 CO 0.58 -1.49 0.09 -3.47 -1.46 0.00 0.00 175.22 169.47 1xj1 n ASP 51 N -1.20 -5.80 0.00 6.13 2.03 -1.26 -2.05 116.55 114.41 1xj1 n ASP 51 Ca -0.07 1.64 0.00 0.00 0.52 0.00 0.00 54.79 56.88 1xj1 n ASP 51 Cb 0.60 -5.04 0.00 0.00 -0.72 0.00 0.00 41.12 35.96 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89