#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 -2.04 3.47 0.00 0.00 1.10 -0.76 -4.83 121.20 118.14 1xj1 s ILE 8 Ca 0.00 0.48 0.00 0.00 -0.51 0.00 0.00 60.65 60.62 1xj1 s ILE 8 Cb 0.00 -3.45 0.00 0.00 0.15 0.00 0.00 42.46 39.16 1xj1 s ILE 8 CO 0.00 -0.62 0.00 0.61 -2.11 0.00 0.00 174.94 172.82 1xj1 n GLY 9 N -2.93 0.48 2.74 1.50 0.00 -1.26 -4.02 105.19 101.71 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 0.80 0.02 -1.20 1.61 -3.43 -1.26 -4.88 115.29 106.95 1xj1 s HIS 10 Ca 0.00 0.21 -0.02 0.00 -0.80 0.00 0.00 55.06 54.46 1xj1 s HIS 10 Cb 0.00 -0.32 -0.01 0.00 -1.43 0.00 0.00 32.58 30.82 1xj1 s HIS 10 CO 0.00 -0.14 0.92 0.66 -2.00 0.00 0.00 174.74 174.18 1xj1 n TYR 11 N 4.64 -2.17 -3.33 0.38 4.02 0.34 -4.99 117.16 116.05 1xj1 n TYR 11 Ca -0.18 0.89 -0.27 0.00 -0.01 0.00 0.00 57.90 58.33 1xj1 n TYR 11 Cb 0.50 -4.73 -0.02 0.00 -0.02 0.00 0.00 39.34 35.07 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 -5.35 3.57 -0.17 -0.72 2.00 -0.91 -4.76 119.66 113.32 1xj1 s GLN 12 Ca 0.09 -0.11 -0.29 0.00 -2.00 0.00 0.00 55.36 53.05 1xj1 s GLN 12 Cb -0.02 -2.65 -0.00 0.00 0.80 0.00 0.00 33.01 31.15 1xj1 s GLN 12 CO 0.75 0.18 1.03 0.15 -0.50 0.00 0.00 175.29 176.90 1xj1 s LYS 13 N -3.84 4.33 -0.14 1.67 1.02 -1.26 -0.04 119.74 121.49 1xj1 s LYS 13 Ca 0.43 1.38 -0.18 0.00 0.02 0.00 0.00 55.97 57.61 1xj1 s LYS 13 Cb -0.10 -3.60 -0.16 0.00 -0.52 0.00 0.00 37.83 33.45 1xj1 s LYS 13 CO 0.33 -0.49 0.40 0.00 -0.92 0.00 0.00 175.35 174.67 1xj1 n VAL 15 N -4.63 1.13 -2.62 0.00 0.31 -1.23 -1.75 118.33 109.55 1xj1 n VAL 15 Ca -0.11 -0.28 -0.21 0.00 -0.01 0.00 0.00 64.34 63.73 1xj1 n VAL 15 Cb 0.37 -1.91 0.01 0.00 -0.91 0.00 0.00 33.84 31.39 1xj1 n VAL 15 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1xj1 n ASN 16 N 1.98 -6.00 -3.26 4.52 5.03 -1.26 -4.94 115.26 111.33 1xj1 n ASN 16 Ca 0.08 -0.11 -0.05 0.00 0.87 0.00 0.00 54.58 55.37 1xj1 n ASN 16 Cb 0.36 -4.94 -0.03 0.00 -1.02 0.00 0.00 39.78 34.15 1xj1 n ASN 16 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xj1 s ALA 17 N -3.09 -1.72 -1.15 5.41 0.00 -0.72 -5.08 121.76 115.41 1xj1 s ALA 17 Ca 0.11 -0.04 -0.21 0.00 0.00 0.00 0.00 51.96 51.81 1xj1 s ALA 17 Cb -0.05 -2.47 0.02 0.00 0.00 0.00 0.00 23.12 20.62 1xj1 s ALA 17 CO 0.13 -2.12 1.72 0.34 0.00 0.00 0.00 175.76 175.84 1xj1 s ASP 18 N 1.89 6.18 -0.10 0.00 -1.08 -1.26 -4.70 116.67 117.59 1xj1 s ASP 18 Ca 0.15 -1.79 -0.03 0.00 -0.52 0.00 0.00 52.55 50.36 1xj1 s ASP 18 Cb -0.09 -2.58 0.05 0.00 -1.46 0.00 0.00 42.92 38.85 1xj1 s ASP 18 CO -0.10 -1.84 0.12 -0.75 0.52 0.00 0.00 175.17 173.13 1xj1 s LYS 19 N 5.23 0.02 0.54 4.34 2.20 -1.26 -5.07 119.74 125.74 1xj1 s LYS 19 Ca 0.57 0.34 -0.21 0.00 -0.36 0.00 0.00 55.97 56.30 1xj1 s LYS 19 Cb 0.01 -0.75 -0.06 0.00 -1.51 0.00 0.00 37.83 35.51 1xj1 s LYS 19 CO 0.03 -0.42 1.20 -2.30 -0.36 0.00 0.00 175.35 173.50 1xj1 n PRO 20 N 5.31 1.44 -2.56 4.03 -0.02 -1.26 -4.75 135.00 137.19 1xj1 n PRO 20 Ca -0.05 0.53 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 1xj1 n PRO 20 Cb 0.50 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 1xj1 n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xj1 s SER 23 N -3.76 1.97 0.39 0.00 0.01 -1.26 -3.89 113.70 107.15 1xj1 s SER 23 Ca 0.66 -0.32 0.08 0.00 1.31 0.00 0.00 55.95 57.68 1xj1 s SER 23 Cb -0.16 -0.49 -0.04 0.00 0.21 0.00 0.00 66.02 65.54 1xj1 s SER 23 CO 0.56 0.15 0.21 -0.54 0.41 0.00 0.00 173.24 174.03 1xj1 s LYS 24 N 0.00 2.36 0.31 12.44 1.02 -0.81 -4.99 119.74 130.07 1xj1 s LYS 24 Ca -0.02 -1.65 0.01 0.00 0.02 0.00 0.00 55.97 54.33 1xj1 s LYS 24 Cb -0.10 -2.15 -0.02 0.00 -0.52 0.00 0.00 37.83 35.03 1xj1 s LYS 24 CO 0.01 -0.05 0.33 -0.08 -0.92 0.00 0.00 175.35 174.64 1xj1 s THR 25 N -2.50 0.00 -0.15 2.17 -1.32 -1.26 -0.48 115.64 112.10 1xj1 s THR 25 Ca 0.41 -1.83 -0.14 0.00 -1.21 0.00 0.00 61.69 58.92 1xj1 s THR 25 Cb -0.00 -2.53 0.04 0.00 -1.51 0.00 0.00 72.50 68.50 1xj1 s THR 25 CO 0.24 0.00 0.40 0.54 -2.21 0.00 0.00 174.62 173.59 1xj1 s VAL 26 N -3.48 0.00 0.38 5.08 0.11 -1.24 -4.95 120.40 116.31 1xj1 s VAL 26 Ca 0.36 -0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1xj1 s VAL 26 Cb 0.02 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.31 1xj1 s VAL 26 CO 0.21 -0.00 0.00 0.54 -3.33 0.00 0.00 175.10 172.52 1xj1 n ARG 27 N 2.85 -2.39 -2.21 1.54 5.12 -1.26 -4.87 116.66 115.44 1xj1 n ARG 27 Ca -0.13 1.81 -0.27 0.00 -1.93 0.00 0.00 57.85 57.32 1xj1 n ARG 27 Cb 0.57 -2.84 0.04 0.00 -1.16 0.00 0.00 32.46 29.07 1xj1 n ARG 27 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1xj1 s TYR 28 N -3.09 3.20 0.02 -1.55 5.04 -1.26 -4.91 117.35 114.80 1xj1 s TYR 28 Ca 0.00 0.72 0.00 0.00 -2.44 0.00 0.00 57.07 55.35 1xj1 s TYR 28 Cb 0.00 -2.93 0.00 0.00 0.35 0.00 0.00 41.96 39.38 1xj1 s TYR 28 CO 0.00 -1.05 0.00 0.41 -1.34 0.00 0.00 175.55 173.57 1xj1 n GLY 29 N -2.78 -3.81 3.49 8.97 0.00 -1.26 -5.00 105.19 104.80 1xj1 n GLY 29 Ca 0.06 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 1xj1 n GLY 29 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xj1 s ASP 30 N -0.09 5.31 0.04 1.61 2.15 -1.26 -4.81 116.67 119.63 1xj1 s ASP 30 Ca 0.00 -0.14 0.00 0.00 0.43 0.00 0.00 52.55 52.84 1xj1 s ASP 30 Cb 0.00 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.67 1xj1 s ASP 30 CO 0.00 -0.00 0.00 -1.20 -0.17 0.00 0.00 175.17 173.80 1xj1 n SER 31 N 4.72 -0.36 -1.59 -0.34 7.64 -1.26 -5.01 113.62 117.42 1xj1 n SER 31 Ca -0.16 0.08 -0.02 0.00 1.01 0.00 0.00 58.87 59.78 1xj1 n SER 31 Cb 0.52 0.70 0.03 0.00 -1.01 0.00 0.00 64.21 64.45 1xj1 n SER 31 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1xj1 n LYS 32 N -2.60 0.45 -0.98 1.43 0.00 -1.26 -4.98 118.16 110.22 1xj1 n LYS 32 Ca 0.00 -0.62 0.02 0.00 -0.00 0.00 0.00 58.31 57.71 1xj1 n LYS 32 Cb 0.00 0.34 0.15 0.00 -0.00 0.00 0.00 35.03 35.52 1xj1 n LYS 32 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1xj1 n ASN 33 N -0.51 1.89 -4.90 -5.58 2.85 -1.26 -5.06 115.26 102.68 1xj1 n ASN 33 Ca -0.12 -3.47 -0.21 0.00 -0.11 0.00 0.00 54.58 50.67 1xj1 n ASN 33 Cb 0.62 -0.46 -0.02 0.00 1.24 0.00 0.00 39.78 41.16 1xj1 n ASN 33 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1xj1 s VAL 34 N -2.76 2.58 -0.23 3.44 -7.23 -1.26 -3.61 120.40 111.33 1xj1 s VAL 34 Ca 0.38 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.26 1xj1 s VAL 34 Cb 0.38 -2.87 0.06 0.00 0.56 0.00 0.00 36.38 34.50 1xj1 s VAL 34 CO -0.08 0.00 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.54 1xj1 s ARG 35 N -4.20 1.51 -0.46 4.82 3.00 0.36 -4.98 118.95 119.00 1xj1 s ARG 35 Ca 0.48 -0.90 -0.15 0.00 0.00 0.00 0.00 55.73 55.16 1xj1 s ARG 35 Cb -0.04 -2.51 0.06 0.00 0.00 0.00 0.00 34.95 32.47 1xj1 s ARG 35 CO 0.29 -0.59 0.38 0.21 0.00 0.00 0.00 175.30 175.59 1xj1 s LYS 36 N 1.46 2.98 0.15 3.54 2.20 -0.77 -1.92 119.74 127.38 1xj1 s LYS 36 Ca -0.05 -1.28 -0.28 0.00 -0.36 0.00 0.00 55.97 54.00 1xj1 s LYS 36 Cb -0.18 -4.11 -0.07 0.00 -1.51 0.00 0.00 37.83 31.96 1xj1 s LYS 36 CO -0.06 -0.98 0.88 -0.06 -0.36 0.00 0.00 175.35 174.77 1xj1 s PHE 37 N 1.67 3.87 0.10 4.03 0.40 -1.25 0.08 117.98 126.88 1xj1 s PHE 37 Ca 0.04 1.75 0.05 0.00 -0.60 0.00 0.00 56.93 58.17 1xj1 s PHE 37 Cb -0.23 -2.94 -0.03 0.00 0.51 0.00 0.00 43.02 40.33 1xj1 s PHE 37 CO 0.07 0.35 -0.13 0.96 0.70 0.00 0.00 175.22 177.18 1xj1 s ILE 38 N -0.58 1.14 -0.13 0.64 -5.25 -0.44 -4.75 121.20 111.82 1xj1 s ILE 38 Ca 0.41 -1.60 -0.22 0.00 -0.99 0.00 0.00 60.65 58.26 1xj1 s ILE 38 Cb -0.24 -1.36 -0.03 0.00 2.95 0.00 0.00 42.46 43.78 1xj1 s ILE 38 CO 0.29 -0.43 0.64 0.00 -1.79 0.00 0.00 174.94 173.65 1xj1 s ASP 40 N 0.93 3.18 -0.30 0.00 2.15 -0.15 -4.96 116.67 117.52 1xj1 s ASP 40 Ca 0.32 -0.67 0.11 0.00 0.43 0.00 0.00 52.55 52.73 1xj1 s ASP 40 Cb -0.16 -1.48 0.69 0.00 -0.30 0.00 0.00 42.92 41.66 1xj1 s ASP 40 CO 0.13 -0.01 1.72 0.54 -0.17 0.00 0.00 175.17 177.38 1xj1 n ARG 41 N 4.62 3.36 -1.54 4.34 5.12 -1.26 -2.03 116.66 129.27 1xj1 n ARG 41 Ca -0.21 -3.07 -0.28 0.00 -1.93 0.00 0.00 57.85 52.36 1xj1 n ARG 41 Cb 0.50 -2.12 -0.05 0.00 -1.16 0.00 0.00 32.46 29.63 1xj1 n ARG 41 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1xj1 n ASP 42 N -0.35 6.58 0.00 0.55 2.03 -1.26 -4.56 116.55 119.54 1xj1 n ASP 42 Ca 0.38 -3.26 0.00 0.00 0.52 0.00 0.00 54.79 52.43 1xj1 n ASP 42 Cb 1.28 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 1xj1 n ASP 42 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xj1 n GLY 43 N 0.78 -0.49 0.72 0.27 0.00 -1.26 -4.98 105.19 100.23 1xj1 n GLY 43 Ca 0.49 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 -0.58 -1.26 -5.11 120.64 115.30 1xj1 n GLU 44 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1xj1 n GLU 44 Cb 0.00 -0.55 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 1xj1 n GLU 44 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xj1 n GLY 45 N 2.60 0.75 3.12 0.62 0.00 -1.14 -4.80 105.19 106.33 1xj1 n GLY 45 Ca 0.00 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.67 0.37 -0.39 1.61 -7.23 -0.86 -0.26 120.40 112.97 1xj1 s VAL 46 Ca 0.00 -1.85 -0.18 0.00 -1.81 0.00 0.00 61.98 58.14 1xj1 s VAL 46 Cb 0.00 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 35.36 1xj1 s VAL 46 CO 0.00 -0.95 0.48 0.00 -0.31 0.00 0.00 175.10 174.33 1xj1 s VAL 48 N 2.31 2.60 0.52 0.00 -7.23 -0.42 0.13 120.40 118.31 1xj1 s VAL 48 Ca 0.16 -1.98 -0.21 0.00 -1.81 0.00 0.00 61.98 58.13 1xj1 s VAL 48 Cb -0.16 -2.79 -0.07 0.00 0.56 0.00 0.00 36.38 33.92 1xj1 s VAL 48 CO 0.14 -0.20 0.99 -2.65 -0.31 0.00 0.00 175.10 173.07 1xj1 n PRO 49 N -0.95 1.14 -0.99 4.82 -0.02 -1.26 -1.33 135.00 136.42 1xj1 n PRO 49 Ca -0.04 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1xj1 n PRO 49 Cb 0.62 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1xj1 n PRO 49 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xj1 n PHE 50 N -1.15 -0.98 -3.91 6.00 7.35 0.11 -4.71 117.46 120.17 1xj1 n PHE 50 Ca 0.11 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.72 1xj1 n PHE 50 Cb 0.44 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.25 1xj1 n PHE 50 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1xj1 s ASP 51 N -0.95 -0.05 0.00 -2.13 1.01 -1.21 -1.85 116.67 111.49 1xj1 s ASP 51 Ca 0.00 -0.90 0.00 0.00 0.71 0.00 0.00 52.55 52.36 1xj1 s ASP 51 Cb 0.00 0.71 0.00 0.00 1.01 0.00 0.00 42.92 44.64 1xj1 s ASP 51 CO 0.00 -1.37 0.00 0.61 0.21 0.00 0.00 175.17 174.62