#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 -0.47 3.47 -0.01 0.00 2.07 -0.56 -4.90 121.20 120.80 1xj1 s ILE 8 Ca 0.27 0.48 -0.02 0.00 -1.41 0.00 0.00 60.65 59.97 1xj1 s ILE 8 Cb -0.17 -3.45 -0.01 0.00 0.13 0.00 0.00 42.46 38.96 1xj1 s ILE 8 CO 0.15 -0.63 -0.04 0.61 -1.91 0.00 0.00 174.94 173.12 1xj1 n GLY 9 N -2.94 -0.28 3.56 1.50 0.00 -1.26 -4.48 105.19 101.29 1xj1 n GLY 9 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.29 -0.53 -1.06 1.61 -3.43 -1.26 -4.99 115.29 104.35 1xj1 s HIS 10 Ca -0.03 1.01 -0.10 0.00 -0.80 0.00 0.00 55.06 55.14 1xj1 s HIS 10 Cb 0.00 0.32 -0.05 0.00 -1.43 0.00 0.00 32.58 31.42 1xj1 s HIS 10 CO 0.05 -0.26 0.87 0.66 -2.00 0.00 0.00 174.74 174.06 1xj1 n TYR 11 N 4.01 -2.34 -4.18 0.38 4.02 0.23 -5.01 117.16 114.28 1xj1 n TYR 11 Ca -0.15 0.76 -0.25 0.00 -0.01 0.00 0.00 57.90 58.25 1xj1 n TYR 11 Cb 0.56 -3.93 -0.08 0.00 -0.02 0.00 0.00 39.34 35.88 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 -4.77 2.20 -0.20 -0.72 2.00 -0.93 -4.78 119.66 112.47 1xj1 s GLN 12 Ca 0.44 -1.85 -0.29 0.00 -2.00 0.00 0.00 55.36 51.66 1xj1 s GLN 12 Cb -0.09 -1.96 0.00 0.00 0.80 0.00 0.00 33.01 31.77 1xj1 s GLN 12 CO 0.77 -0.09 1.06 0.15 -0.50 0.00 0.00 175.29 176.68 1xj1 s LYS 13 N -3.88 4.29 0.12 1.67 1.02 -1.26 0.17 119.74 121.86 1xj1 s LYS 13 Ca 0.40 1.40 0.00 0.00 0.02 0.00 0.00 55.97 57.79 1xj1 s LYS 13 Cb 0.04 -3.63 0.00 0.00 -0.52 0.00 0.00 37.83 33.72 1xj1 s LYS 13 CO 0.22 -0.58 0.00 0.00 -0.92 0.00 0.00 175.35 174.07 1xj1 h VAL 15 N 0.00 0.70 0.04 0.00 2.07 -1.87 -2.83 116.25 114.36 1xj1 h VAL 15 Ca 0.00 -0.40 -0.35 0.00 0.82 0.00 0.00 66.70 66.77 1xj1 h VAL 15 Cb 0.05 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.02 1xj1 h VAL 15 CO 0.00 0.10 -2.10 -3.20 0.02 0.00 0.00 177.57 172.38 1xj1 n ASN 16 N -3.89 1.33 -4.09 0.57 5.15 -1.26 -4.96 115.26 108.12 1xj1 n ASN 16 Ca -0.02 0.15 -0.19 0.00 -0.60 0.00 0.00 54.58 53.92 1xj1 n ASN 16 Cb 0.19 -0.18 -0.14 0.00 -0.53 0.00 0.00 39.78 39.13 1xj1 n ASN 16 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xj1 s ALA 17 N -2.55 0.96 0.03 5.20 0.00 -1.07 -5.12 121.76 119.22 1xj1 s ALA 17 Ca -0.18 -0.68 -0.30 0.00 0.00 0.00 0.00 51.96 50.80 1xj1 s ALA 17 Cb 0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 23.12 22.97 1xj1 s ALA 17 CO 0.76 0.18 1.42 -0.51 0.00 0.00 0.00 175.76 177.61 1xj1 s ASP 18 N -0.89 6.83 -0.30 0.00 1.11 -1.26 -3.40 116.67 118.75 1xj1 s ASP 18 Ca 0.01 2.20 -0.13 0.00 0.18 0.00 0.00 52.55 54.80 1xj1 s ASP 18 Cb -0.07 -2.57 0.18 0.00 1.07 0.00 0.00 42.92 41.54 1xj1 s ASP 18 CO 0.01 -0.71 1.11 -0.75 1.18 0.00 0.00 175.17 176.00 1xj1 s LYS 19 N 2.10 0.09 0.41 8.23 2.20 -1.26 -5.01 119.74 126.49 1xj1 s LYS 19 Ca 0.65 0.06 -0.24 0.00 -0.36 0.00 0.00 55.97 56.08 1xj1 s LYS 19 Cb -0.33 0.03 -0.11 0.00 -1.51 0.00 0.00 37.83 35.90 1xj1 s LYS 19 CO 0.28 -0.15 0.84 -2.30 -0.36 0.00 0.00 175.35 173.66 1xj1 n PRO 20 N 4.87 1.04 -3.50 4.03 -0.02 -1.19 -4.76 135.00 135.46 1xj1 n PRO 20 Ca 0.09 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 1xj1 n PRO 20 Cb 0.59 -1.82 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 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 -4.54 6.32 0.55 0.00 1.04 -1.26 -4.50 113.70 111.31 1xj1 s SER 23 Ca 0.61 0.38 0.06 0.00 0.48 0.00 0.00 55.95 57.48 1xj1 s SER 23 Cb -0.11 -2.08 0.06 0.00 0.10 0.00 0.00 66.02 63.99 1xj1 s SER 23 CO 0.48 0.32 0.53 0.29 0.98 0.00 0.00 173.24 175.84 1xj1 n LYS 24 N 2.60 0.67 -3.66 4.02 5.02 -0.97 -4.94 118.16 120.89 1xj1 n LYS 24 Ca -0.18 -3.27 -0.09 0.00 -2.02 0.00 0.00 58.31 52.75 1xj1 n LYS 24 Cb 0.54 0.16 -0.10 0.00 -0.02 0.00 0.00 35.03 35.62 1xj1 n LYS 24 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1xj1 s THR 25 N -2.63 -0.56 -0.16 -0.18 -1.32 -1.26 -1.33 115.64 108.20 1xj1 s THR 25 Ca 0.40 0.15 -0.28 0.00 -1.21 0.00 0.00 61.69 60.75 1xj1 s THR 25 Cb -0.03 -0.67 -0.01 0.00 -1.51 0.00 0.00 72.50 70.28 1xj1 s THR 25 CO 0.26 0.06 0.98 -0.69 -2.21 0.00 0.00 174.62 173.02 1xj1 s VAL 26 N 2.44 4.77 0.62 5.08 1.01 -1.24 -4.85 120.40 128.23 1xj1 s VAL 26 Ca -0.03 1.95 0.00 0.00 0.00 0.00 0.00 61.98 63.90 1xj1 s VAL 26 Cb -0.11 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1xj1 s VAL 26 CO -0.13 -0.05 0.00 0.54 0.00 0.00 0.00 175.10 175.46 1xj1 n ARG 27 N 5.46 -3.38 -4.44 2.72 1.74 -1.26 -4.95 116.66 112.53 1xj1 n ARG 27 Ca 0.09 2.74 -0.24 0.00 -0.77 0.00 0.00 57.85 59.67 1xj1 n ARG 27 Cb 0.48 -3.97 -0.10 0.00 -1.02 0.00 0.00 32.46 27.85 1xj1 n ARG 27 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1xj1 s TYR 28 N -4.17 2.22 0.00 -1.55 5.04 -1.26 -5.03 117.35 112.60 1xj1 s TYR 28 Ca 0.00 -0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 1xj1 s TYR 28 Cb 0.00 -1.00 0.00 0.00 0.35 0.00 0.00 41.96 41.31 1xj1 s TYR 28 CO 0.00 0.63 0.00 0.41 -1.34 0.00 0.00 175.55 175.25 1xj1 n GLY 29 N -0.39 0.35 3.85 8.97 0.00 -1.26 -5.12 105.19 111.59 1xj1 n GLY 29 Ca -0.07 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 1xj1 n GLY 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xj1 s ASP 30 N -4.00 4.50 0.23 1.61 1.01 -1.26 -5.02 116.67 113.73 1xj1 s ASP 30 Ca 0.00 -1.30 0.00 0.00 0.71 0.00 0.00 52.55 51.96 1xj1 s ASP 30 Cb 0.00 0.28 0.00 0.00 1.01 0.00 0.00 42.92 44.21 1xj1 s ASP 30 CO 0.00 -0.95 0.00 -1.20 0.21 0.00 0.00 175.17 173.23 1xj1 n SER 31 N -1.56 -8.26 -4.56 0.27 7.64 -1.26 -4.75 113.62 101.13 1xj1 n SER 31 Ca -0.06 1.21 -0.40 0.00 1.01 0.00 0.00 58.87 60.63 1xj1 n SER 31 Cb 0.65 -4.53 -0.03 0.00 -1.01 0.00 0.00 64.21 59.29 1xj1 n SER 31 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1xj1 s LYS 32 N -1.30 2.96 -0.57 1.43 3.01 -1.26 -4.89 119.74 119.12 1xj1 s LYS 32 Ca 0.00 0.53 0.07 0.00 -1.01 0.00 0.00 55.97 55.56 1xj1 s LYS 32 Cb 0.00 -4.27 0.26 0.00 -1.01 0.00 0.00 37.83 32.81 1xj1 s LYS 32 CO 0.00 -2.35 0.71 0.27 0.51 0.00 0.00 175.35 174.50 1xj1 n ASN 33 N 11.17 2.93 -5.00 2.83 6.94 -1.26 -5.09 115.26 127.78 1xj1 n ASN 33 Ca 0.16 -3.28 -0.18 0.00 -0.02 0.00 0.00 54.58 51.25 1xj1 n ASN 33 Cb 0.50 -0.65 0.01 0.00 -2.36 0.00 0.00 39.78 37.28 1xj1 n ASN 33 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1xj1 s VAL 34 N -2.37 3.24 -0.16 3.53 -7.23 -1.26 -3.68 120.40 112.47 1xj1 s VAL 34 Ca 0.40 -0.92 -0.00 0.00 -1.81 0.00 0.00 61.98 59.64 1xj1 s VAL 34 Cb 0.17 -3.12 0.04 0.00 0.56 0.00 0.00 36.38 34.03 1xj1 s VAL 34 CO -0.05 -0.05 -0.06 -0.60 -0.31 0.00 0.00 175.10 174.03 1xj1 s ARG 35 N -4.38 1.52 0.80 4.82 6.06 -0.44 -4.97 118.95 122.36 1xj1 s ARG 35 Ca 0.53 -0.51 -0.11 0.00 -2.50 0.00 0.00 55.73 53.13 1xj1 s ARG 35 Cb -0.10 -2.00 0.09 0.00 0.06 0.00 0.00 34.95 33.00 1xj1 s ARG 35 CO 0.34 -0.41 1.16 0.21 -2.50 0.00 0.00 175.30 174.10 1xj1 s LYS 36 N 1.62 1.89 -0.20 5.12 2.20 -0.52 -2.30 119.74 127.55 1xj1 s LYS 36 Ca 0.01 -0.00 -0.11 0.00 -0.36 0.00 0.00 55.97 55.51 1xj1 s LYS 36 Cb -0.15 -1.98 0.07 0.00 -1.51 0.00 0.00 37.83 34.26 1xj1 s LYS 36 CO -0.08 -1.61 0.49 -0.06 -0.36 0.00 0.00 175.35 173.74 1xj1 s PHE 37 N -3.55 -0.75 0.15 4.03 0.08 -1.26 0.10 117.98 116.79 1xj1 s PHE 37 Ca 0.63 1.55 0.07 0.00 0.12 0.00 0.00 56.93 59.29 1xj1 s PHE 37 Cb -0.10 0.38 -0.04 0.00 -0.57 0.00 0.00 43.02 42.68 1xj1 s PHE 37 CO 0.49 -0.40 -0.15 0.96 -0.10 0.00 0.00 175.22 176.01 1xj1 s ILE 38 N 1.53 1.56 -0.41 0.64 -0.00 -0.63 -4.80 121.20 119.08 1xj1 s ILE 38 Ca -0.09 -1.89 -0.21 0.00 -0.00 0.00 0.00 60.65 58.45 1xj1 s ILE 38 Cb -0.08 -1.74 0.02 0.00 -0.00 0.00 0.00 42.46 40.66 1xj1 s ILE 38 CO -0.15 -0.43 0.68 0.00 -0.00 0.00 0.00 174.94 175.04 1xj1 n ASP 40 N 6.31 1.91 -2.76 0.00 2.03 -0.46 -4.96 116.55 118.62 1xj1 n ASP 40 Ca -0.00 -1.51 -0.06 0.00 0.52 0.00 0.00 54.79 53.73 1xj1 n ASP 40 Cb 0.48 0.13 0.01 0.00 -0.72 0.00 0.00 41.12 41.02 1xj1 n ASP 40 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1xj1 n ARG 41 N -0.27 -2.50 0.07 -0.67 1.74 -1.26 -2.20 116.66 111.57 1xj1 n ARG 41 Ca -0.04 2.18 0.05 0.00 -0.77 0.00 0.00 57.85 59.27 1xj1 n ARG 41 Cb 0.15 -5.44 0.46 0.00 -1.02 0.00 0.00 32.46 26.61 1xj1 n ARG 41 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1xj1 h ASP 42 N 2.11 0.35 0.52 0.55 5.19 -1.96 0.92 116.42 124.10 1xj1 h ASP 42 Ca 0.00 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 1xj1 h ASP 42 Cb 0.76 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 40.19 1xj1 h ASP 42 CO 0.17 0.28 -0.25 1.23 -3.12 0.00 0.00 179.24 177.55 1xj1 h GLY 43 N 0.46 -0.73 0.01 2.75 0.00 -2.01 -3.39 103.07 100.16 1xj1 h GLY 43 Ca 0.11 0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.71 1xj1 h GLY 43 CO -0.02 -0.27 -0.00 0.83 0.00 0.00 0.00 176.54 177.08 1xj1 h GLU 44 N -0.85 -0.01 -0.52 4.80 3.07 -1.89 -3.50 114.58 115.69 1xj1 h GLU 44 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1xj1 h GLU 44 Cb 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1xj1 h GLU 44 CO 0.12 0.18 0.00 0.41 -1.40 0.00 0.00 179.01 178.31 1xj1 n GLY 45 N 1.73 0.51 3.09 -3.84 0.00 0.32 -4.37 105.19 102.62 1xj1 n GLY 45 Ca -0.02 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 1xj1 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xj1 s VAL 46 N -0.72 0.60 -0.33 1.61 1.01 -0.93 -2.33 120.40 119.30 1xj1 s VAL 46 Ca 0.00 -1.23 -0.11 0.00 0.00 0.00 0.00 61.98 60.64 1xj1 s VAL 46 Cb 0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 36.38 35.57 1xj1 s VAL 46 CO 0.00 -0.45 0.20 0.00 0.00 0.00 0.00 175.10 174.85 1xj1 s VAL 48 N 1.65 3.33 0.90 0.00 -7.23 -0.75 0.75 120.40 119.05 1xj1 s VAL 48 Ca 0.05 -1.77 -0.13 0.00 -1.81 0.00 0.00 61.98 58.32 1xj1 s VAL 48 Cb -0.18 -2.95 0.05 0.00 0.56 0.00 0.00 36.38 33.86 1xj1 s VAL 48 CO 0.08 -0.28 0.61 -2.65 -0.31 0.00 0.00 175.10 172.55 1xj1 n PRO 49 N -1.04 -0.20 -3.93 4.82 -0.02 -1.26 -1.60 135.00 131.77 1xj1 n PRO 49 Ca -0.05 -0.01 -0.10 0.00 -2.02 0.00 0.00 63.50 61.33 1xj1 n PRO 49 Cb 0.60 -1.99 -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 -2.35 0.31 -1.13 6.00 5.36 0.28 -4.61 117.98 121.84 1xj1 s PHE 50 Ca 0.61 -0.77 -0.03 0.00 -0.96 0.00 0.00 56.93 55.79 1xj1 s PHE 50 Cb -0.24 0.45 -0.03 0.00 -0.34 0.00 0.00 43.02 42.86 1xj1 s PHE 50 CO 0.63 -1.26 0.96 -3.47 -1.46 0.00 0.00 175.22 170.62 1xj1 n ASP 51 N -0.94 -4.14 0.00 6.13 -0.08 -1.26 -1.43 116.55 114.83 1xj1 n ASP 51 Ca -0.04 -0.67 0.14 0.00 -1.51 0.00 0.00 54.79 52.72 1xj1 n ASP 51 Cb 0.61 -5.14 0.82 0.00 2.34 0.00 0.00 41.12 39.75 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93