#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 0.24 2.71 0.00 0.00 2.07 0.29 -4.88 121.20 121.64 1xj1 s ILE 8 Ca 0.67 0.23 0.00 0.00 -1.41 0.00 0.00 60.65 60.14 1xj1 s ILE 8 Cb -0.52 -3.21 0.00 0.00 0.13 0.00 0.00 42.46 38.85 1xj1 s ILE 8 CO 0.45 -0.30 0.00 0.61 -1.91 0.00 0.00 174.94 173.79 1xj1 n GLY 9 N -3.10 0.07 3.07 1.50 0.00 -1.26 -4.01 105.19 101.47 1xj1 n GLY 9 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 0.48 -0.40 -0.96 1.61 -3.43 -1.26 -4.87 115.29 106.45 1xj1 s HIS 10 Ca 0.00 0.92 -0.05 0.00 -0.80 0.00 0.00 55.06 55.13 1xj1 s HIS 10 Cb 0.00 0.06 -0.06 0.00 -1.43 0.00 0.00 32.58 31.14 1xj1 s HIS 10 CO 0.00 -0.29 0.84 0.66 -2.00 0.00 0.00 174.74 173.95 1xj1 n TYR 11 N 4.60 -2.24 -4.66 0.38 4.02 0.46 -5.00 117.16 114.72 1xj1 n TYR 11 Ca -0.19 0.79 -0.30 0.00 -0.01 0.00 0.00 57.90 58.19 1xj1 n TYR 11 Cb 0.52 -4.01 -0.08 0.00 -0.02 0.00 0.00 39.34 35.75 1xj1 n TYR 11 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1xj1 s GLN 12 N -4.30 2.07 0.07 -0.72 -1.52 -0.96 -4.84 119.66 109.46 1xj1 s GLN 12 Ca 0.41 -2.29 -0.30 0.00 -1.95 0.00 0.00 55.36 51.23 1xj1 s GLN 12 Cb -0.05 -1.25 -0.05 0.00 -0.22 0.00 0.00 33.01 31.44 1xj1 s GLN 12 CO 0.67 -0.35 0.98 0.15 -0.25 0.00 0.00 175.29 176.49 1xj1 s LYS 13 N -3.81 4.63 0.00 2.91 3.01 -1.26 0.66 119.74 125.88 1xj1 s LYS 13 Ca 0.15 1.46 0.05 0.00 -1.01 0.00 0.00 55.97 56.62 1xj1 s LYS 13 Cb 0.03 -3.41 -0.03 0.00 -1.01 0.00 0.00 37.83 33.41 1xj1 s LYS 13 CO 0.08 0.09 0.33 0.00 0.51 0.00 0.00 175.35 176.36 1xj1 n VAL 15 N -0.79 3.41 -2.17 0.00 0.31 -1.25 -3.86 118.33 113.98 1xj1 n VAL 15 Ca 0.02 -2.96 -0.01 0.00 -0.01 0.00 0.00 64.34 61.38 1xj1 n VAL 15 Cb 0.10 -1.66 0.01 0.00 -0.91 0.00 0.00 33.84 31.38 1xj1 n VAL 15 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1xj1 n ASN 16 N 1.06 -0.20 -0.54 4.52 5.15 -1.26 -5.16 115.26 118.83 1xj1 n ASN 16 Ca 0.49 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 53.62 1xj1 n ASN 16 Cb 0.56 0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.89 1xj1 n ASN 16 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xj1 n ALA 17 N -0.15 0.00 -1.01 5.20 0.00 -1.25 -5.02 120.51 118.29 1xj1 n ALA 17 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.17 1xj1 n ALA 17 Cb 0.47 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.03 1xj1 n ALA 17 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xj1 n ASP 18 N -0.26 5.33 -4.10 0.00 9.92 -1.26 -4.90 116.55 121.27 1xj1 n ASP 18 Ca 0.00 -3.44 -0.30 0.00 -0.53 0.00 0.00 54.79 50.53 1xj1 n ASP 18 Cb 0.00 -0.89 -0.05 0.00 -0.64 0.00 0.00 41.12 39.55 1xj1 n ASP 18 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1xj1 n LYS 19 N -0.70 -1.98 -2.82 -1.24 2.85 -1.26 -4.88 118.16 108.13 1xj1 n LYS 19 Ca 0.51 0.25 -0.43 0.00 -1.05 0.00 0.00 58.31 57.59 1xj1 n LYS 19 Cb 1.09 -3.96 -0.04 0.00 -0.65 0.00 0.00 35.03 31.47 1xj1 n LYS 19 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1xj1 s PRO 20 N -6.94 3.21 -0.27 -1.58 0.04 -1.26 -4.95 135.00 123.25 1xj1 s PRO 20 Ca 0.06 -0.53 0.01 0.00 0.04 0.00 0.00 61.00 60.58 1xj1 s PRO 20 Cb -0.03 -4.15 0.08 0.00 0.04 0.00 0.00 34.50 30.44 1xj1 s PRO 20 CO 0.94 -1.70 0.01 0.00 0.04 0.00 0.00 177.00 176.29 1xj1 s SER 23 N -4.18 3.79 -0.89 0.00 0.01 -1.26 -4.03 113.70 107.14 1xj1 s SER 23 Ca 0.71 -0.39 -0.23 0.00 1.31 0.00 0.00 55.95 57.35 1xj1 s SER 23 Cb -0.09 -1.57 0.07 0.00 0.21 0.00 0.00 66.02 64.65 1xj1 s SER 23 CO 0.55 0.15 1.26 -0.54 0.41 0.00 0.00 173.24 175.07 1xj1 s LYS 24 N 0.43 3.45 -0.26 12.44 -0.14 0.38 -4.94 119.74 131.09 1xj1 s LYS 24 Ca -0.11 -1.08 -0.03 0.00 -1.36 0.00 0.00 55.97 53.39 1xj1 s LYS 24 Cb -0.16 -4.86 0.02 0.00 -1.68 0.00 0.00 37.83 31.15 1xj1 s LYS 24 CO 0.05 -2.03 -0.03 -0.08 -0.76 0.00 0.00 175.35 172.50 1xj1 s THR 25 N 4.40 3.10 0.59 2.17 -1.32 -1.26 -1.35 115.64 121.96 1xj1 s THR 25 Ca 0.37 -0.96 -0.17 0.00 -1.21 0.00 0.00 61.69 59.72 1xj1 s THR 25 Cb -0.05 -2.58 -0.03 0.00 -1.51 0.00 0.00 72.50 68.33 1xj1 s THR 25 CO -0.02 0.17 1.11 -0.69 -2.21 0.00 0.00 174.62 172.98 1xj1 s VAL 26 N 1.36 3.28 1.31 5.08 1.01 -1.26 -5.03 120.40 126.16 1xj1 s VAL 26 Ca 0.01 0.69 -0.20 0.00 0.00 0.00 0.00 61.98 62.47 1xj1 s VAL 26 Cb -0.17 -3.22 0.33 0.00 0.00 0.00 0.00 36.38 33.32 1xj1 s VAL 26 CO -0.03 -0.28 1.01 -0.60 0.00 0.00 0.00 175.10 175.20 1xj1 s ARG 27 N -3.70 -2.09 0.19 2.72 3.52 -1.26 -4.90 118.95 113.44 1xj1 s ARG 27 Ca 0.69 0.13 -0.32 0.00 -0.13 0.00 0.00 55.73 56.10 1xj1 s ARG 27 Cb -0.21 -1.48 -0.11 0.00 -1.56 0.00 0.00 34.95 31.59 1xj1 s ARG 27 CO 0.34 -4.32 1.71 0.71 -0.81 0.00 0.00 175.30 172.93 1xj1 s TYR 28 N -2.57 2.83 0.00 5.12 2.02 -1.26 -4.91 117.35 118.58 1xj1 s TYR 28 Ca 0.69 0.34 0.00 0.00 -0.37 0.00 0.00 57.07 57.73 1xj1 s TYR 28 Cb -0.13 -4.11 0.00 0.00 -0.40 0.00 0.00 41.96 37.32 1xj1 s TYR 28 CO 0.58 -4.26 0.00 0.41 -1.57 0.00 0.00 175.55 170.71 1xj1 n GLY 29 N 3.98 3.81 0.06 0.71 0.00 -1.26 -5.09 105.19 107.40 1xj1 n GLY 29 Ca 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 1xj1 n GLY 29 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xj1 h ASP 30 N 0.00 -0.11 -2.81 1.61 1.82 -2.03 -3.46 116.42 111.45 1xj1 h ASP 30 Ca 0.00 0.00 -0.64 0.00 -0.39 0.00 0.00 57.03 56.01 1xj1 h ASP 30 Cb 0.00 0.03 -0.05 0.00 0.68 0.00 0.00 39.33 39.99 1xj1 h ASP 30 CO 0.00 0.01 -0.49 -0.94 -1.61 0.00 0.00 179.24 176.21 1xj1 s SER 31 N -3.29 6.38 -0.37 2.28 1.04 -1.26 -5.08 113.70 113.39 1xj1 s SER 31 Ca -0.02 0.35 -0.09 0.00 0.48 0.00 0.00 55.95 56.67 1xj1 s SER 31 Cb 0.00 -2.00 0.04 0.00 0.10 0.00 0.00 66.02 64.16 1xj1 s SER 31 CO 0.05 0.26 0.17 -0.54 0.98 0.00 0.00 173.24 174.17 1xj1 s LYS 32 N -1.95 2.72 -0.04 4.02 1.02 -1.26 -5.04 119.74 119.20 1xj1 s LYS 32 Ca 0.28 -1.16 -0.02 0.00 0.02 0.00 0.00 55.97 55.09 1xj1 s LYS 32 Cb -0.13 -3.63 0.02 0.00 -0.52 0.00 0.00 37.83 33.57 1xj1 s LYS 32 CO 0.19 -0.72 0.08 -0.80 -0.92 0.00 0.00 175.35 173.18 1xj1 s ASN 33 N 1.55 -0.04 -0.14 2.83 -0.87 -1.26 -5.14 114.94 111.87 1xj1 s ASN 33 Ca 0.01 0.16 0.01 0.00 -1.57 0.00 0.00 52.86 51.47 1xj1 s ASN 33 Cb -0.20 0.09 0.02 0.00 -0.02 0.00 0.00 41.25 41.14 1xj1 s ASN 33 CO 0.05 -0.10 -0.17 -0.69 -2.57 0.00 0.00 177.10 173.62 1xj1 s VAL 34 N 0.73 1.70 -0.43 1.60 1.01 -1.26 -4.06 120.40 119.68 1xj1 s VAL 34 Ca -0.06 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 1xj1 s VAL 34 Cb -0.08 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.78 1xj1 s VAL 34 CO -0.03 0.48 0.38 -0.60 0.00 0.00 0.00 175.10 175.33 1xj1 s ARG 35 N 1.20 3.02 0.66 2.72 3.52 -0.46 -4.94 118.95 124.66 1xj1 s ARG 35 Ca -0.01 -0.98 -0.11 0.00 -0.13 0.00 0.00 55.73 54.51 1xj1 s ARG 35 Cb -0.14 -4.01 0.15 0.00 -1.56 0.00 0.00 34.95 29.39 1xj1 s ARG 35 CO -0.07 -0.86 0.89 1.17 -0.81 0.00 0.00 175.30 175.62 1xj1 n LYS 36 N 5.37 -0.82 -3.65 5.12 4.81 -0.48 -0.47 118.16 128.03 1xj1 n LYS 36 Ca -0.10 -1.43 -0.06 0.00 -0.87 0.00 0.00 58.31 55.85 1xj1 n LYS 36 Cb 0.46 -0.90 -0.07 0.00 0.02 0.00 0.00 35.03 34.54 1xj1 n LYS 36 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1xj1 s PHE 37 N -2.92 -1.06 0.27 5.64 0.08 -1.26 -0.83 117.98 117.91 1xj1 s PHE 37 Ca 0.51 2.04 0.04 0.00 0.12 0.00 0.00 56.93 59.63 1xj1 s PHE 37 Cb -0.01 0.61 -0.06 0.00 -0.57 0.00 0.00 43.02 42.99 1xj1 s PHE 37 CO 0.36 -0.54 0.02 0.96 -0.10 0.00 0.00 175.22 175.92 1xj1 s ILE 38 N 1.99 1.15 -0.19 0.64 -5.25 -0.27 -4.71 121.20 114.56 1xj1 s ILE 38 Ca -0.08 -2.03 -0.16 0.00 -0.99 0.00 0.00 60.65 57.39 1xj1 s ILE 38 Cb -0.08 -2.55 -0.04 0.00 2.95 0.00 0.00 42.46 42.75 1xj1 s ILE 38 CO -0.18 -0.18 0.39 0.00 -1.79 0.00 0.00 174.94 173.18 1xj1 s ASP 40 N 0.93 3.25 -0.19 0.00 -1.08 -0.79 -4.98 116.67 113.81 1xj1 s ASP 40 Ca 0.19 -0.73 0.15 0.00 -0.52 0.00 0.00 52.55 51.64 1xj1 s ASP 40 Cb -0.15 -1.45 0.42 0.00 -1.46 0.00 0.00 42.92 40.28 1xj1 s ASP 40 CO 0.08 -0.03 1.29 -1.14 0.52 0.00 0.00 175.17 175.88 1xj1 n ARG 41 N 4.61 1.82 0.09 4.34 0.63 -1.26 -1.75 116.66 125.15 1xj1 n ARG 41 Ca -0.20 -2.92 -0.06 0.00 -0.92 0.00 0.00 57.85 53.76 1xj1 n ARG 41 Cb 0.49 -1.67 -0.03 0.00 0.45 0.00 0.00 32.46 31.71 1xj1 n ARG 41 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1xj1 h ASP 42 N 0.82 0.03 0.00 6.15 1.82 -1.98 -3.40 116.42 119.86 1xj1 h ASP 42 Ca 0.05 -0.03 -0.16 0.00 -0.39 0.00 0.00 57.03 56.49 1xj1 h ASP 42 Cb 1.23 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 41.21 1xj1 h ASP 42 CO 0.13 0.90 -1.55 0.61 -1.61 0.00 0.00 179.24 177.72 1xj1 n GLY 43 N 0.99 -0.16 1.73 -0.78 0.00 -1.26 -5.03 105.19 100.68 1xj1 n GLY 43 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1xj1 n GLY 43 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xj1 n GLU 44 N -3.37 0.00 0.00 1.61 0.00 -1.26 -5.11 120.64 112.50 1xj1 n GLU 44 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.97 1xj1 n GLU 44 Cb 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 31.44 32.05 1xj1 n GLU 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xj1 n GLY 45 N 2.05 -0.19 3.17 8.31 0.00 -1.04 -4.80 105.19 112.68 1xj1 n GLY 45 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 0.90 -0.33 1.61 -7.23 -0.72 -2.53 120.40 112.10 1xj1 s VAL 46 Ca 0.00 -1.62 -0.25 0.00 -1.81 0.00 0.00 61.98 58.31 1xj1 s VAL 46 Cb 0.00 -1.33 0.01 0.00 0.56 0.00 0.00 36.38 35.62 1xj1 s VAL 46 CO 0.00 -0.57 0.85 0.00 -0.31 0.00 0.00 175.10 175.08 1xj1 s VAL 48 N 3.17 2.31 0.76 0.00 -7.23 -0.26 0.17 120.40 119.32 1xj1 s VAL 48 Ca 0.35 -2.25 -0.15 0.00 -1.81 0.00 0.00 61.98 58.11 1xj1 s VAL 48 Cb -0.13 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 1xj1 s VAL 48 CO 0.15 -0.25 0.68 -2.65 -0.31 0.00 0.00 175.10 172.72 1xj1 n PRO 49 N -0.76 0.26 -0.95 4.82 -0.02 -1.26 -1.11 135.00 135.98 1xj1 n PRO 49 Ca -0.05 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1xj1 n PRO 49 Cb 0.63 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 -2.66 -0.95 0.00 6.00 7.35 -0.01 -4.60 117.46 122.60 1xj1 n PHE 50 Ca 0.11 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.80 1xj1 n PHE 50 Cb 0.50 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.33 1xj1 n PHE 50 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1xj1 n ASP 51 N -0.95 0.19 0.00 -2.13 -0.08 -1.26 -1.39 116.55 110.93 1xj1 n ASP 51 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1xj1 n ASP 51 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93