#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 0.26 4.49 0.00 0.00 2.07 -1.00 -4.57 121.20 122.46 1xj1 s ILE 8 Ca 0.02 0.81 0.00 0.00 -1.41 0.00 0.00 60.65 60.07 1xj1 s ILE 8 Cb -0.05 -3.79 0.00 0.00 0.13 0.00 0.00 42.46 38.75 1xj1 s ILE 8 CO -0.04 -1.06 0.08 0.61 -1.91 0.00 0.00 174.94 172.61 1xj1 n GLY 9 N -2.77 -0.59 3.55 1.50 0.00 -1.26 -1.59 105.19 104.03 1xj1 n GLY 9 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.15 -0.75 -1.09 1.61 -3.43 -1.26 -4.46 115.29 105.76 1xj1 s HIS 10 Ca 0.00 1.77 -0.06 0.00 -0.80 0.00 0.00 55.06 55.97 1xj1 s HIS 10 Cb 0.00 0.29 -0.05 0.00 -1.43 0.00 0.00 32.58 31.39 1xj1 s HIS 10 CO 0.00 -0.36 0.92 0.66 -2.00 0.00 0.00 174.74 173.96 1xj1 n TYR 11 N 2.99 -2.38 -4.62 0.38 4.02 0.41 -5.00 117.16 112.96 1xj1 n TYR 11 Ca -0.15 0.85 -0.28 0.00 -0.01 0.00 0.00 57.90 58.31 1xj1 n TYR 11 Cb 0.56 -4.27 -0.10 0.00 -0.02 0.00 0.00 39.34 35.51 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 -4.69 1.95 -0.21 -0.72 -1.52 -0.93 -4.85 119.66 108.71 1xj1 s GLN 12 Ca 0.37 -2.13 -0.29 0.00 -1.95 0.00 0.00 55.36 51.36 1xj1 s GLN 12 Cb -0.05 -1.51 0.00 0.00 -0.22 0.00 0.00 33.01 31.23 1xj1 s GLN 12 CO 0.75 -0.12 1.06 0.21 -0.25 0.00 0.00 175.29 176.94 1xj1 s LYS 13 N -3.75 4.28 -0.26 2.91 2.20 -1.26 0.69 119.74 124.54 1xj1 s LYS 13 Ca 0.31 1.40 0.13 0.00 -0.36 0.00 0.00 55.97 57.45 1xj1 s LYS 13 Cb 0.09 -3.64 0.76 0.00 -1.51 0.00 0.00 37.83 33.53 1xj1 s LYS 13 CO 0.16 -0.60 1.73 0.00 -0.36 0.00 0.00 175.35 176.28 1xj1 n VAL 15 N 0.21 2.74 -2.30 0.00 0.31 -1.26 -4.43 118.33 113.61 1xj1 n VAL 15 Ca 0.31 -2.59 -0.00 0.00 -0.01 0.00 0.00 64.34 62.05 1xj1 n VAL 15 Cb 1.23 -0.39 -0.01 0.00 -0.91 0.00 0.00 33.84 33.76 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 -1.12 0.22 -1.06 4.52 2.85 -1.26 -5.12 115.26 114.27 1xj1 n ASN 16 Ca 0.41 -1.99 0.00 0.00 -0.11 0.00 0.00 54.58 52.89 1xj1 n ASN 16 Cb 1.19 -0.07 0.00 0.00 1.24 0.00 0.00 39.78 42.14 1xj1 n ASN 16 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xj1 n ALA 17 N 0.30 -0.08 -0.75 5.20 0.00 -1.26 -5.09 120.51 118.82 1xj1 n ALA 17 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1xj1 n ALA 17 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.42 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 -0.15 0.00 -2.68 0.00 8.00 -1.26 -4.93 116.55 115.53 1xj1 n ASP 18 Ca 0.00 0.34 -0.05 0.00 0.71 0.00 0.00 54.79 55.80 1xj1 n ASP 18 Cb 0.01 -0.12 0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1xj1 n ASP 18 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1xj1 n LYS 19 N -0.87 0.53 -2.06 -1.24 5.02 -1.26 -5.02 118.16 113.25 1xj1 n LYS 19 Ca 0.00 -1.13 -0.43 0.00 -2.02 0.00 0.00 58.31 54.74 1xj1 n LYS 19 Cb 0.00 -0.15 -0.03 0.00 -0.02 0.00 0.00 35.03 34.83 1xj1 n LYS 19 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xj1 s PRO 20 N 0.10 3.73 -0.27 1.97 0.04 -1.26 -4.96 135.00 134.35 1xj1 s PRO 20 Ca 0.13 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1xj1 s PRO 20 Cb 0.22 -4.07 0.16 0.00 0.04 0.00 0.00 34.50 30.84 1xj1 s PRO 20 CO -0.07 -1.38 0.43 0.00 0.04 0.00 0.00 177.00 176.01 1xj1 s SER 23 N -3.01 -0.22 -0.34 0.00 0.01 -1.26 -3.80 113.70 105.07 1xj1 s SER 23 Ca 0.39 0.27 -0.01 0.00 1.31 0.00 0.00 55.95 57.92 1xj1 s SER 23 Cb -0.05 0.43 0.08 0.00 0.21 0.00 0.00 66.02 66.69 1xj1 s SER 23 CO 0.31 -0.30 0.07 -0.54 0.41 0.00 0.00 173.24 173.19 1xj1 s LYS 24 N -0.72 2.07 -0.60 12.44 -0.14 -0.16 -4.97 119.74 127.66 1xj1 s LYS 24 Ca -0.08 -1.59 -0.06 0.00 -1.36 0.00 0.00 55.97 52.88 1xj1 s LYS 24 Cb -0.04 -3.30 0.16 0.00 -1.68 0.00 0.00 37.83 32.96 1xj1 s LYS 24 CO 0.02 -0.84 0.44 -0.08 -0.76 0.00 0.00 175.35 174.14 1xj1 s THR 25 N 1.13 4.10 0.82 2.17 -1.32 -1.26 0.35 115.64 121.63 1xj1 s THR 25 Ca 0.02 -2.49 -0.12 0.00 -1.21 0.00 0.00 61.69 57.89 1xj1 s THR 25 Cb -0.21 -3.66 0.09 0.00 -1.51 0.00 0.00 72.50 67.21 1xj1 s THR 25 CO -0.04 -0.86 1.15 0.68 -2.21 0.00 0.00 174.62 173.35 1xj1 s VAL 26 N 0.46 2.28 0.31 5.08 -7.23 -0.90 -4.98 120.40 115.42 1xj1 s VAL 26 Ca 0.13 0.09 0.04 0.00 -1.81 0.00 0.00 61.98 60.43 1xj1 s VAL 26 Cb -0.20 -3.01 -0.03 0.00 0.56 0.00 0.00 36.38 33.70 1xj1 s VAL 26 CO -0.04 -0.12 0.29 0.00 -0.31 0.00 0.00 175.10 174.93 1xj1 s ARG 27 N -5.44 1.69 0.00 4.82 1.70 -1.26 -3.88 118.95 116.58 1xj1 s ARG 27 Ca 0.62 -1.89 0.00 0.00 -0.47 0.00 0.00 55.73 53.99 1xj1 s ARG 27 Cb -0.12 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.60 1xj1 s ARG 27 CO 0.51 -0.63 0.00 0.98 -1.08 0.00 0.00 175.30 175.08 1xj1 n TYR 28 N -0.55 -0.45 0.00 5.89 4.19 -1.26 -5.02 117.16 119.97 1xj1 n TYR 28 Ca 0.05 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.26 1xj1 n TYR 28 Cb 0.63 0.09 0.00 0.00 0.49 0.00 0.00 39.34 40.55 1xj1 n TYR 28 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1xj1 n GLY 29 N -1.01 -1.01 0.23 2.98 0.00 -1.26 -4.96 105.19 100.16 1xj1 n GLY 29 Ca 0.00 0.53 -0.06 0.00 0.00 0.00 0.00 46.02 46.49 1xj1 n GLY 29 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xj1 h ASP 30 N 0.00 0.56 -2.88 1.61 5.19 -2.05 -3.43 116.42 115.42 1xj1 h ASP 30 Ca 0.00 -0.24 -0.63 0.00 -0.62 0.00 0.00 57.03 55.54 1xj1 h ASP 30 Cb 0.00 -0.16 -0.06 0.00 0.18 0.00 0.00 39.33 39.30 1xj1 h ASP 30 CO 0.00 0.88 -0.35 -0.44 -3.12 0.00 0.00 179.24 176.22 1xj1 s SER 31 N -6.84 6.57 -0.05 6.45 0.01 -1.26 -5.10 113.70 113.48 1xj1 s SER 31 Ca -0.07 0.67 -0.02 0.00 1.31 0.00 0.00 55.95 57.84 1xj1 s SER 31 Cb 0.13 -2.14 0.03 0.00 0.21 0.00 0.00 66.02 64.25 1xj1 s SER 31 CO 0.81 0.31 0.11 -0.54 0.41 0.00 0.00 173.24 174.34 1xj1 s LYS 32 N -1.37 0.07 -0.13 12.44 1.02 -1.26 -4.02 119.74 126.49 1xj1 s LYS 32 Ca 0.23 0.27 0.01 0.00 0.02 0.00 0.00 55.97 56.51 1xj1 s LYS 32 Cb -0.14 -0.13 0.02 0.00 -0.52 0.00 0.00 37.83 37.06 1xj1 s LYS 32 CO 0.12 -0.12 -0.16 -0.80 -0.92 0.00 0.00 175.35 173.46 1xj1 s ASN 33 N 0.84 2.67 -0.25 2.83 -0.87 -1.25 -5.08 114.94 113.83 1xj1 s ASN 33 Ca -0.07 -0.49 -0.04 0.00 -1.57 0.00 0.00 52.86 50.70 1xj1 s ASN 33 Cb -0.09 -1.20 0.01 0.00 -0.02 0.00 0.00 41.25 39.95 1xj1 s ASN 33 CO -0.04 0.01 -0.01 -0.69 -2.57 0.00 0.00 177.10 173.80 1xj1 s VAL 34 N 1.10 3.39 -0.20 1.60 1.01 -1.26 -2.12 120.40 123.93 1xj1 s VAL 34 Ca -0.03 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.07 1xj1 s VAL 34 Cb -0.14 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1xj1 s VAL 34 CO -0.05 0.25 0.42 -0.60 0.00 0.00 0.00 175.10 175.12 1xj1 s ARG 35 N 1.44 4.17 0.37 2.72 6.06 0.16 -4.43 118.95 129.44 1xj1 s ARG 35 Ca 0.03 0.24 0.08 0.00 -2.50 0.00 0.00 55.73 53.57 1xj1 s ARG 35 Cb -0.16 -3.54 -0.03 0.00 0.06 0.00 0.00 34.95 31.28 1xj1 s ARG 35 CO -0.02 -0.06 0.27 0.21 -2.50 0.00 0.00 175.30 173.20 1xj1 s LYS 36 N 1.37 2.52 -0.16 5.12 2.20 -0.89 -0.99 119.74 128.91 1xj1 s LYS 36 Ca 0.20 -1.50 -0.05 0.00 -0.36 0.00 0.00 55.97 54.26 1xj1 s LYS 36 Cb -0.15 -2.31 0.06 0.00 -1.51 0.00 0.00 37.83 33.92 1xj1 s LYS 36 CO 0.08 -0.03 0.11 -0.06 -0.36 0.00 0.00 175.35 175.09 1xj1 s PHE 37 N -2.43 0.10 0.37 4.03 0.08 -1.25 0.11 117.98 118.99 1xj1 s PHE 37 Ca 0.43 -0.15 0.07 0.00 0.12 0.00 0.00 56.93 57.40 1xj1 s PHE 37 Cb -0.03 -0.61 -0.01 0.00 -0.57 0.00 0.00 43.02 41.80 1xj1 s PHE 37 CO 0.26 -0.49 0.42 0.96 -0.10 0.00 0.00 175.22 176.27 1xj1 s ILE 38 N 2.17 3.43 -0.42 0.64 -4.36 -0.68 -4.70 121.20 117.29 1xj1 s ILE 38 Ca 0.03 -1.18 -0.12 0.00 -0.26 0.00 0.00 60.65 59.12 1xj1 s ILE 38 Cb -0.15 -3.18 0.05 0.00 1.25 0.00 0.00 42.46 40.42 1xj1 s ILE 38 CO -0.09 -0.10 0.28 0.00 0.24 0.00 0.00 174.94 175.27 1xj1 s ASP 40 N 1.98 6.66 -0.06 0.00 2.15 -0.67 -4.96 116.67 121.78 1xj1 s ASP 40 Ca 0.03 0.78 0.11 0.00 0.43 0.00 0.00 52.55 53.90 1xj1 s ASP 40 Cb -0.21 -2.23 -0.16 0.00 -0.30 0.00 0.00 42.92 40.02 1xj1 s ASP 40 CO 0.06 0.20 0.15 0.54 -0.17 0.00 0.00 175.17 175.95 1xj1 n ARG 41 N 2.71 1.24 -0.22 4.34 3.00 -1.26 -1.25 116.66 125.21 1xj1 n ARG 41 Ca -0.12 -0.06 0.13 0.00 -0.01 0.00 0.00 57.85 57.79 1xj1 n ARG 41 Cb 0.52 -1.28 0.42 0.00 0.00 0.00 0.00 32.46 32.13 1xj1 n ARG 41 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1xj1 h ASP 42 N 0.00 0.55 0.00 0.55 3.58 -1.97 -3.34 116.42 115.79 1xj1 h ASP 42 Ca -0.14 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1xj1 h ASP 42 Cb 1.06 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1xj1 h ASP 42 CO 0.01 0.29 0.00 0.61 -2.88 0.00 0.00 179.24 177.27 1xj1 n GLY 43 N -1.47 1.33 1.25 -0.78 0.00 -1.26 -4.88 105.19 99.38 1xj1 n GLY 43 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.15 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 2.40 -3.24 1.61 -0.58 -1.26 -4.97 120.64 114.60 1xj1 n GLU 44 Ca 0.00 -3.05 -0.11 0.00 -0.42 0.00 0.00 57.16 53.58 1xj1 n GLU 44 Cb 0.00 -1.90 0.04 0.00 -0.57 0.00 0.00 31.44 29.01 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 -0.84 -1.18 3.05 0.62 0.00 -1.19 -4.90 105.19 100.74 1xj1 n GLY 45 Ca 0.33 0.54 -0.08 0.00 0.00 0.00 0.00 46.02 46.80 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 -3.25 0.21 -0.24 1.61 -7.23 -0.38 -1.79 120.40 109.33 1xj1 s VAL 46 Ca 0.29 -1.40 -0.20 0.00 -1.81 0.00 0.00 61.98 58.85 1xj1 s VAL 46 Cb -0.05 -0.96 -0.02 0.00 0.56 0.00 0.00 36.38 35.91 1xj1 s VAL 46 CO 0.76 -0.76 0.60 0.00 -0.31 0.00 0.00 175.10 175.39 1xj1 s VAL 48 N 2.25 1.61 0.88 0.00 -7.23 -0.56 0.16 120.40 117.51 1xj1 s VAL 48 Ca 0.26 -2.09 -0.12 0.00 -1.81 0.00 0.00 61.98 58.22 1xj1 s VAL 48 Cb -0.16 -2.60 0.08 0.00 0.56 0.00 0.00 36.38 34.27 1xj1 s VAL 48 CO 0.09 -0.20 0.89 -2.65 -0.31 0.00 0.00 175.10 172.93 1xj1 n PRO 49 N -0.66 -0.15 -2.81 4.82 -0.02 -1.26 -1.69 135.00 133.23 1xj1 n PRO 49 Ca -0.05 0.02 -0.06 0.00 -2.02 0.00 0.00 63.50 61.40 1xj1 n PRO 49 Cb 0.64 -2.19 0.02 0.00 -0.02 0.00 0.00 33.50 31.95 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 -3.61 -1.89 -1.47 6.00 7.35 0.30 -4.64 117.46 119.50 1xj1 n PHE 50 Ca 0.11 -1.21 0.18 0.00 -0.76 0.00 0.00 57.45 55.77 1xj1 n PHE 50 Cb 0.52 0.60 -0.08 0.00 0.35 0.00 0.00 39.48 40.87 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 -1.35 -8.30 0.00 -2.13 2.03 -1.26 -2.10 116.55 103.44 1xj1 n ASP 51 Ca -0.06 1.28 0.00 0.00 0.52 0.00 0.00 54.79 56.53 1xj1 n ASP 51 Cb 0.39 -4.91 0.00 0.00 -0.72 0.00 0.00 41.12 35.88 1xj1 n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89