#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j38 n LEU 0 N 0.00 0.00 0.23 -5.58 4.77 -1.26 -1.08 117.00 114.07 2j38 n LEU 0 Ca 0.00 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.14 2j38 n LEU 0 Cb 0.00 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 41.83 2j38 n LEU 0 CO 0.00 0.00 0.97 0.00 -1.33 0.00 0.00 177.39 177.03 2j38 n SER 2 N -2.67 0.49 -4.38 0.00 7.64 -0.24 -2.91 113.62 111.55 2j38 n SER 2 Ca -0.00 -0.15 -0.44 0.00 1.01 0.00 0.00 58.87 59.29 2j38 n SER 2 Cb 0.16 0.19 -0.08 0.00 -1.01 0.00 0.00 64.21 63.48 2j38 n SER 2 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2j38 s LEU 3 N -3.18 5.63 -1.65 -3.43 2.96 -0.76 -4.44 118.68 113.82 2j38 s LEU 3 Ca 0.10 -1.36 -0.09 0.00 -0.22 0.00 0.00 54.13 52.57 2j38 s LEU 3 Cb 0.17 -2.17 0.09 0.00 0.50 0.00 0.00 46.19 44.77 2j38 s LEU 3 CO 0.69 -0.65 0.32 -0.67 -1.32 0.00 0.00 176.35 174.72 2j38 n ASP 4 N 5.19 -0.49 -1.48 3.68 2.03 -1.26 -0.93 116.55 123.29 2j38 n ASP 4 Ca -0.12 -1.21 -0.17 0.00 0.52 0.00 0.00 54.79 53.81 2j38 n ASP 4 Cb 0.43 -1.91 -0.05 0.00 -0.72 0.00 0.00 41.12 38.88 2j38 n ASP 4 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2j38 n ASN 5 N -2.75 -4.98 -0.25 1.67 5.15 -1.15 -1.98 115.26 110.98 2j38 n ASN 5 Ca -0.15 0.27 -0.03 0.00 -0.60 0.00 0.00 54.58 54.07 2j38 n ASN 5 Cb 0.60 -4.00 -0.01 0.00 -0.53 0.00 0.00 39.78 35.84 2j38 n ASN 5 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2j38 n GLY 6 N -0.96 0.44 2.44 8.20 0.00 -0.11 -1.77 105.19 113.43 2j38 n GLY 6 Ca -0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2j38 n GLY 6 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2j38 n ASP 7 N -0.67 -3.36 -4.82 1.61 2.03 -0.84 -4.97 116.55 105.54 2j38 n ASP 7 Ca -0.03 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.95 2j38 n ASP 7 Cb 0.39 -1.32 -0.00 0.00 -0.72 0.00 0.00 41.12 39.47 2j38 n ASP 7 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2j38 h ASP 9 N 0.53 0.53 0.00 0.00 5.19 -1.74 -3.48 116.42 117.44 2j38 h ASP 9 Ca -0.47 -0.95 0.00 0.00 -0.62 0.00 0.00 57.03 54.99 2j38 h ASP 9 Cb 1.21 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.55 2j38 h ASP 9 CO 0.59 1.44 0.00 0.00 -3.12 0.00 0.00 179.24 178.15 2j38 n GLN 10 N -4.06 0.00 -2.31 3.56 6.02 -1.26 -5.01 117.38 114.31 2j38 n GLN 10 Ca -0.14 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.45 2j38 n GLN 10 Cb 0.87 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.10 2j38 n GLN 10 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2j38 s PHE 11 N 2.22 3.26 -0.02 1.08 0.08 -0.75 -4.91 117.98 118.94 2j38 s PHE 11 Ca 0.00 1.57 0.05 0.00 0.12 0.00 0.00 56.93 58.67 2j38 s PHE 11 Cb 0.00 -3.44 -0.01 0.00 -0.57 0.00 0.00 43.02 39.00 2j38 s PHE 11 CO 0.00 -1.18 -0.18 0.00 -0.10 0.00 0.00 175.22 173.77 2j38 s HIS 13 N -0.28 -0.13 -0.25 0.00 2.46 -0.00 -4.99 115.29 112.10 2j38 s HIS 13 Ca 0.04 0.32 -0.11 0.00 0.47 0.00 0.00 55.06 55.78 2j38 s HIS 13 Cb -0.08 0.02 -0.05 0.00 -0.13 0.00 0.00 32.58 32.34 2j38 s HIS 13 CO 0.00 -0.07 0.19 -1.21 -2.47 0.00 0.00 174.74 171.18 2j38 s GLU 14 N 0.21 4.03 -0.29 2.88 2.02 -1.26 0.38 118.70 126.66 2j38 s GLU 14 Ca -0.01 -0.25 0.01 0.00 0.02 0.00 0.00 54.97 54.73 2j38 s GLU 14 Cb -0.02 -3.58 0.09 0.00 0.10 0.00 0.00 34.13 30.71 2j38 s GLU 14 CO -0.01 -0.03 0.03 -1.21 0.02 0.00 0.00 175.26 174.06 2j38 s GLU 15 N 1.33 1.23 -0.79 1.61 2.02 0.10 -4.91 118.70 119.30 2j38 s GLU 15 Ca 0.08 -1.27 -0.01 0.00 0.02 0.00 0.00 54.97 53.79 2j38 s GLU 15 Cb -0.14 -2.55 -0.00 0.00 0.10 0.00 0.00 34.13 31.53 2j38 s GLU 15 CO 0.07 -0.84 0.70 1.04 0.02 0.00 0.00 175.26 176.24 2j38 n GLN 16 N 4.62 -1.41 -3.23 1.61 6.02 -1.26 -3.04 117.38 120.69 2j38 n GLN 16 Ca -0.04 1.29 -0.23 0.00 -0.01 0.00 0.00 57.00 58.01 2j38 n GLN 16 Cb 0.43 -5.05 0.03 0.00 1.02 0.00 0.00 30.24 26.67 2j38 n GLN 16 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2j38 n ASN 17 N -2.04 -5.52 -3.68 1.08 4.05 -1.26 -4.97 115.26 102.93 2j38 n ASN 17 Ca -0.07 -0.38 -0.11 0.00 0.45 0.00 0.00 54.58 54.48 2j38 n ASN 17 Cb 0.55 -4.46 -0.09 0.00 1.23 0.00 0.00 39.78 37.01 2j38 n ASN 17 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2j38 s SER 18 N -2.82 -0.66 0.06 1.20 0.15 -1.17 -5.13 113.70 105.32 2j38 s SER 18 Ca 0.39 1.16 -0.30 0.00 0.70 0.00 0.00 55.95 57.90 2j38 s SER 18 Cb -0.18 1.10 -0.05 0.00 -1.71 0.00 0.00 66.02 65.18 2j38 s SER 18 CO 0.48 -0.21 1.11 -0.69 1.20 0.00 0.00 173.24 175.13 2j38 s VAL 19 N 1.01 4.30 -0.18 4.45 1.01 -1.26 -0.72 120.40 129.01 2j38 s VAL 19 Ca -0.06 1.70 0.01 0.00 0.00 0.00 0.00 61.98 63.63 2j38 s VAL 19 Cb -0.06 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.27 2j38 s VAL 19 CO -0.09 0.16 -0.15 -0.69 0.00 0.00 0.00 175.10 174.33 2j38 s VAL 20 N 0.83 1.79 0.19 2.92 1.01 0.16 -4.94 120.40 122.36 2j38 s VAL 20 Ca 0.55 -0.90 -0.07 0.00 0.00 0.00 0.00 61.98 61.56 2j38 s VAL 20 Cb -0.26 -1.72 -0.06 0.00 0.00 0.00 0.00 36.38 34.33 2j38 s VAL 20 CO 0.30 0.38 0.46 0.00 0.00 0.00 0.00 175.10 176.23 2j38 s SER 22 N -2.43 0.84 0.04 0.00 1.04 -0.59 -4.98 113.70 107.62 2j38 s SER 22 Ca 0.44 -1.45 -0.00 0.00 0.48 0.00 0.00 55.95 55.41 2j38 s SER 22 Cb -0.12 0.67 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 2j38 s SER 22 CO 0.23 -1.31 -0.03 0.00 0.98 0.00 0.00 173.24 173.11 2j38 s ALA 24 N -2.82 0.27 0.34 0.00 0.00 -1.26 -4.89 121.76 113.40 2j38 s ALA 24 Ca -0.03 -0.30 -0.28 0.00 0.00 0.00 0.00 51.96 51.35 2j38 s ALA 24 Cb -0.00 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 2j38 s ALA 24 CO -0.06 -3.32 1.29 1.03 0.00 0.00 0.00 175.76 174.70 2j38 s ARG 25 N -4.76 4.32 0.00 0.00 0.52 -1.26 -2.36 118.95 115.41 2j38 s ARG 25 Ca 0.67 2.17 0.00 0.00 -0.52 0.00 0.00 55.73 58.05 2j38 s ARG 25 Cb -0.21 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.23 2j38 s ARG 25 CO 0.61 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 176.14 2j38 n GLY 26 N 0.80 0.46 3.37 -3.53 0.00 -1.26 -4.75 105.19 100.27 2j38 n GLY 26 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2j38 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2j38 s TYR 27 N -2.18 2.30 0.07 1.61 1.51 -1.00 -1.54 117.35 118.12 2j38 s TYR 27 Ca 0.00 -0.40 0.09 0.00 -1.01 0.00 0.00 57.07 55.76 2j38 s TYR 27 Cb 0.00 -1.31 -0.03 0.00 -0.11 0.00 0.00 41.96 40.51 2j38 s TYR 27 CO 0.00 0.24 -0.26 0.95 -1.11 0.00 0.00 175.55 175.37 2j38 s THR 28 N -0.94 2.10 0.22 -0.71 -4.23 -0.08 -4.77 115.64 107.24 2j38 s THR 28 Ca 0.13 -1.48 -0.30 0.00 -1.18 0.00 0.00 61.69 58.86 2j38 s THR 28 Cb -0.10 -1.82 -0.09 0.00 1.34 0.00 0.00 72.50 71.82 2j38 s THR 28 CO 0.04 0.26 1.35 -0.22 -0.54 0.00 0.00 174.62 175.50 2j38 s LEU 29 N -1.48 4.41 0.85 4.79 2.96 -1.26 -0.38 118.68 128.56 2j38 s LEU 29 Ca 0.12 2.49 -0.12 0.00 -0.22 0.00 0.00 54.13 56.40 2j38 s LEU 29 Cb -0.10 -3.62 0.10 0.00 0.50 0.00 0.00 46.19 43.08 2j38 s LEU 29 CO 0.03 -0.57 1.10 0.00 -1.32 0.00 0.00 176.35 175.59 2j38 s ALA 30 N 0.00 1.93 0.32 5.97 0.00 0.15 -4.87 121.76 125.26 2j38 s ALA 30 Ca 0.57 -0.21 0.10 0.00 0.00 0.00 0.00 51.96 52.42 2j38 s ALA 30 Cb -0.38 -3.12 0.93 0.00 0.00 0.00 0.00 23.12 20.54 2j38 s ALA 30 CO 0.40 -2.03 1.70 0.22 0.00 0.00 0.00 175.76 176.05 2j38 h ASP 31 N -1.31 0.57 0.00 0.00 3.58 -1.95 0.15 116.42 117.46 2j38 h ASP 31 Ca -0.48 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2j38 h ASP 31 Cb 1.28 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.42 2j38 h ASP 31 CO 0.58 0.01 0.00 -0.46 -2.88 0.00 0.00 179.24 176.49 2j38 n ASN 32 N -4.97 0.01 -1.14 2.28 0.23 -1.26 -4.87 115.26 105.54 2j38 n ASN 32 Ca 0.28 -1.64 -0.12 0.00 -0.53 0.00 0.00 54.58 52.57 2j38 n ASN 32 Cb 0.81 -0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.46 2j38 n ASN 32 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2j38 n GLY 33 N 0.32 1.13 1.13 4.83 0.00 0.53 -4.75 105.19 108.37 2j38 n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2j38 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2j38 n LYS 34 N -1.44 0.00 -2.54 1.61 5.02 -1.26 -4.37 118.16 115.18 2j38 n LYS 34 Ca -0.12 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.84 2j38 n LYS 34 Cb 0.46 -0.43 -0.04 0.00 -0.02 0.00 0.00 35.03 35.01 2j38 n LYS 34 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2j38 s ALA 35 N -1.98 2.90 -0.21 7.82 0.00 -1.26 -2.05 121.76 126.96 2j38 s ALA 35 Ca 0.00 0.53 -0.05 0.00 0.00 0.00 0.00 51.96 52.45 2j38 s ALA 35 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 2j38 s ALA 35 CO 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 175.76 175.47 2j38 s ILE 37 N 1.26 4.19 0.19 0.00 1.01 0.49 -4.90 121.20 123.43 2j38 s ILE 37 Ca 0.04 -0.25 -0.31 0.00 0.00 0.00 0.00 60.65 60.13 2j38 s ILE 37 Cb -0.15 -2.87 -0.09 0.00 0.01 0.00 0.00 42.46 39.36 2j38 s ILE 37 CO 0.01 0.46 1.44 -2.84 0.00 0.00 0.00 174.94 174.01 2j38 s PRO 38 N 0.54 4.29 0.04 2.79 0.02 -1.26 -0.90 135.00 140.52 2j38 s PRO 38 Ca -0.01 2.22 0.01 0.00 0.02 0.00 0.00 61.00 63.25 2j38 s PRO 38 Cb -0.14 -3.17 -0.26 0.00 0.02 0.00 0.00 34.50 30.96 2j38 s PRO 38 CO 0.02 -0.45 0.99 1.79 -0.33 0.00 0.00 177.00 179.02 2j38 h THR 39 N 3.87 1.31 -4.88 0.99 1.35 -1.64 -3.47 112.91 110.44 2j38 h THR 39 Ca -0.44 -2.98 -0.50 0.00 -0.55 0.00 0.00 66.41 61.94 2j38 h THR 39 Cb 1.21 2.77 -0.13 0.00 -1.73 0.00 0.00 68.15 70.28 2j38 h THR 39 CO 0.83 0.83 -0.47 0.61 -0.25 0.00 0.00 175.52 177.07 2j38 n GLY 40 N 1.55 2.97 3.82 5.82 0.00 -1.26 -5.12 105.19 112.97 2j38 n GLY 40 Ca -0.11 -1.94 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 2j38 n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2j38 s PRO 41 N -3.41 3.19 -1.11 1.61 0.05 -1.26 -4.09 135.00 129.99 2j38 s PRO 41 Ca 0.36 1.05 -0.10 0.00 0.05 0.00 0.00 61.00 62.36 2j38 s PRO 41 Cb 0.02 -2.02 -0.04 0.00 0.05 0.00 0.00 34.50 32.51 2j38 s PRO 41 CO 0.26 -0.90 0.87 0.66 0.05 0.00 0.00 177.00 177.93 2j38 n TYR 42 N -2.55 -2.24 -2.38 0.56 4.01 -1.26 -4.97 117.16 108.33 2j38 n TYR 42 Ca 0.08 0.74 -0.33 0.00 -0.16 0.00 0.00 57.90 58.23 2j38 n TYR 42 Cb 0.53 -3.99 -0.03 0.00 -0.31 0.00 0.00 39.34 35.54 2j38 n TYR 42 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2j38 s PRO 43 N -5.06 3.80 0.56 -0.72 0.04 -1.26 -4.99 135.00 127.37 2j38 s PRO 43 Ca 0.40 1.10 -0.20 0.00 0.04 0.00 0.00 61.00 62.34 2j38 s PRO 43 Cb -0.09 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 2j38 s PRO 43 CO 0.78 -0.41 1.12 0.00 0.04 0.00 0.00 177.00 178.54 2j38 n GLY 45 N 1.07 0.90 3.46 0.00 0.00 -1.26 -5.01 105.19 104.35 2j38 n GLY 45 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 2j38 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j38 s LYS 46 N -0.06 3.61 0.33 1.61 -0.14 -1.20 -5.10 119.74 118.80 2j38 s LYS 46 Ca 0.00 -0.55 -0.29 0.00 -1.36 0.00 0.00 55.97 53.77 2j38 s LYS 46 Cb 0.00 -2.90 -0.10 0.00 -1.68 0.00 0.00 37.83 33.15 2j38 s LYS 46 CO 0.00 0.19 1.37 -0.65 -0.76 0.00 0.00 175.35 175.49 2j38 s GLN 47 N 0.49 4.29 0.19 1.68 -0.21 -1.26 -4.92 119.66 119.92 2j38 s GLN 47 Ca -0.04 2.31 -0.27 0.00 0.02 0.00 0.00 55.36 57.37 2j38 s GLN 47 Cb -0.14 -3.06 -0.08 0.00 1.00 0.00 0.00 33.01 30.73 2j38 s GLN 47 CO 0.03 -0.30 0.85 0.95 -2.12 0.00 0.00 175.29 174.71 2j38 s THR 48 N -0.96 4.26 0.00 -0.19 -4.23 -1.26 -5.13 115.64 108.14 2j38 s THR 48 Ca 0.51 1.88 0.00 0.00 -1.18 0.00 0.00 61.69 62.91 2j38 s THR 48 Cb -0.41 -4.23 0.00 0.00 1.34 0.00 0.00 72.50 69.20 2j38 s THR 48 CO 0.54 0.50 0.44 0.18 -0.54 0.00 0.00 174.62 175.74