#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h59 s GLU 3 N 0.00 4.33 0.10 0.54 2.12 -1.26 -4.90 118.70 119.62 1h59 s GLU 3 Ca 0.00 2.17 0.05 0.00 0.36 0.00 0.00 54.97 57.55 1h59 s GLU 3 Cb 0.00 -3.03 -0.03 0.00 0.26 0.00 0.00 34.13 31.32 1h59 s GLU 3 CO 0.00 -0.19 -0.12 0.95 -0.54 0.00 0.00 175.26 175.35 1h59 s THR 4 N -1.16 1.09 -0.04 -1.70 -4.23 -1.26 -0.95 115.64 107.38 1h59 s THR 4 Ca 0.50 -1.57 0.01 0.00 -1.18 0.00 0.00 61.69 59.45 1h59 s THR 4 Cb -0.39 -1.32 0.02 0.00 1.34 0.00 0.00 72.50 72.16 1h59 s THR 4 CO 0.51 -0.43 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.37 1h59 s LEU 5 N -2.26 1.25 0.30 4.79 1.43 -0.38 -4.96 118.68 118.85 1h59 s LEU 5 Ca 0.04 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1h59 s LEU 5 Cb -0.05 -0.37 -0.05 0.00 0.03 0.00 0.00 46.19 45.75 1h59 s LEU 5 CO 0.02 -0.07 0.11 0.00 0.23 0.00 0.00 176.35 176.63 1h59 n GLY 7 N -0.58 2.13 0.35 0.00 0.00 -1.26 -2.57 105.19 103.27 1h59 n GLY 7 Ca -0.01 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.68 1h59 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h59 h ALA 8 N -0.66 1.67 -0.35 4.61 0.00 -1.99 -1.81 119.26 120.72 1h59 h ALA 8 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1h59 h ALA 8 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1h59 h ALA 8 CO 0.00 0.23 -0.10 0.93 0.00 0.00 0.00 179.25 180.31 1h59 h GLU 9 N 0.79 0.60 -0.49 0.00 5.08 -1.96 -0.23 114.58 118.37 1h59 h GLU 9 Ca 0.31 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 1h59 h GLU 9 Cb 0.20 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1h59 h GLU 9 CO -0.10 0.69 -0.07 1.25 -1.00 0.00 0.00 179.01 179.79 1h59 h LEU 10 N 0.56 0.90 -0.45 1.33 5.85 -1.06 -1.33 115.31 121.11 1h59 h LEU 10 Ca 0.10 -0.34 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 1h59 h LEU 10 Cb 0.50 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1h59 h LEU 10 CO 0.03 1.03 -0.00 0.58 -0.34 0.00 0.00 178.44 179.73 1h59 h VAL 11 N 0.76 1.26 -0.74 1.05 2.07 -1.16 -1.87 116.25 117.61 1h59 h VAL 11 Ca 0.13 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1h59 h VAL 11 Cb 0.61 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1h59 h VAL 11 CO 0.04 0.36 0.33 0.44 0.02 0.00 0.00 177.57 178.76 1h59 h ASP 12 N 0.63 0.99 -0.81 0.57 3.32 -0.93 -1.31 116.42 118.88 1h59 h ASP 12 Ca 0.13 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1h59 h ASP 12 Cb 0.50 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 1h59 h ASP 12 CO 0.02 0.87 0.44 0.00 -1.72 0.00 0.00 179.24 178.85 1h59 h ALA 13 N 1.16 1.04 -0.46 3.45 0.00 -1.09 -0.66 119.26 122.70 1h59 h ALA 13 Ca 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1h59 h ALA 13 Cb 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1h59 h ALA 13 CO -0.03 0.55 0.15 -0.07 0.00 0.00 0.00 179.25 179.86 1h59 h LEU 14 N 1.13 0.67 -0.87 0.00 3.38 -0.95 -0.00 115.31 118.65 1h59 h LEU 14 Ca 0.28 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1h59 h LEU 14 Cb 0.04 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1h59 h LEU 14 CO -0.05 0.69 0.46 -0.61 0.09 0.00 0.00 178.44 179.02 1h59 h GLN 15 N 0.61 1.23 -0.08 1.13 5.75 -0.94 0.97 115.11 123.78 1h59 h GLN 15 Ca 0.15 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1h59 h GLN 15 Cb 0.25 -0.23 -0.00 0.00 1.07 0.00 0.00 27.48 28.56 1h59 h GLN 15 CO -0.01 0.92 -0.03 0.35 -2.65 0.00 0.00 178.83 177.42 1h59 h PHE 16 N 1.23 0.18 -0.20 3.99 3.57 -0.82 0.24 116.94 125.12 1h59 h PHE 16 Ca 0.31 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 1h59 h PHE 16 Cb 0.06 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1h59 h PHE 16 CO 0.01 0.50 -0.03 0.28 -2.23 0.00 0.00 178.31 176.84 1h59 h VAL 17 N -0.19 1.28 0.00 1.41 2.07 -0.85 -3.31 116.25 116.65 1h59 h VAL 17 Ca 0.02 -0.98 -0.17 0.00 0.82 0.00 0.00 66.70 66.39 1h59 h VAL 17 Cb 0.44 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1h59 h VAL 17 CO 0.01 0.30 -0.94 0.00 0.02 0.00 0.00 177.57 176.96 1h59 n GLY 19 N 1.33 3.01 0.00 0.00 0.00 0.07 -2.33 105.19 107.27 1h59 n GLY 19 Ca -0.02 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.72 1h59 n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1h59 n ASP 20 N 1.34 0.00 0.03 1.61 5.68 -1.26 -2.69 116.55 121.27 1h59 n ASP 20 Ca 0.00 0.50 -0.04 0.00 -0.50 0.00 0.00 54.79 54.75 1h59 n ASP 20 Cb 0.00 -0.50 0.19 0.00 -1.14 0.00 0.00 41.12 39.67 1h59 n ASP 20 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1h59 h ARG 21 N 0.00 0.43 0.00 0.11 3.08 -1.82 -3.49 114.38 112.69 1h59 h ARG 21 Ca 0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1h59 h ARG 21 Cb 0.19 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1h59 h ARG 21 CO 0.00 0.70 0.00 0.41 -1.07 0.00 0.00 179.97 180.01 1h59 n GLY 22 N -0.27 -0.55 3.62 0.04 0.00 -1.09 -4.32 105.19 102.62 1h59 n GLY 22 Ca -0.01 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.18 1h59 n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1h59 s PHE 23 N -1.55 0.10 0.30 1.61 -0.12 -1.26 -0.45 117.98 116.61 1h59 s PHE 23 Ca 0.00 -0.48 0.10 0.00 -0.05 0.00 0.00 56.93 56.50 1h59 s PHE 23 Cb 0.00 0.36 -0.05 0.00 -0.63 0.00 0.00 43.02 42.70 1h59 s PHE 23 CO 0.00 -1.02 -0.03 0.71 -0.05 0.00 0.00 175.22 174.83 1h59 s TYR 24 N -3.95 2.56 -0.13 3.49 2.02 0.36 -4.82 117.35 116.88 1h59 s TYR 24 Ca 0.16 -0.34 -0.03 0.00 -0.37 0.00 0.00 57.07 56.48 1h59 s TYR 24 Cb -0.02 -1.30 -0.06 0.00 -0.40 0.00 0.00 41.96 40.18 1h59 s TYR 24 CO 0.05 0.57 -0.14 1.19 -1.57 0.00 0.00 175.55 175.65 1h59 n PHE 25 N -0.88 0.00 0.09 2.71 3.01 -1.26 -4.82 117.46 116.31 1h59 n PHE 25 Ca -0.05 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.35 1h59 n PHE 25 Cb 0.61 -0.46 0.06 0.00 -0.01 0.00 0.00 39.48 39.68 1h59 n PHE 25 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1h59 h ASN 26 N -0.27 0.21 -5.03 4.37 -1.24 -1.95 -1.04 115.58 110.62 1h59 h ASN 26 Ca -0.30 -0.15 -0.13 0.00 0.71 0.00 0.00 56.30 56.43 1h59 h ASN 26 Cb 1.34 -0.06 -0.19 0.00 0.73 0.00 0.00 38.32 40.14 1h59 h ASN 26 CO -0.13 0.88 -0.45 -0.54 -1.29 0.00 0.00 177.43 175.90 1h59 s LYS 27 N -3.44 0.59 0.58 6.67 -0.14 -1.26 -2.86 119.74 119.88 1h59 s LYS 27 Ca -0.03 -0.53 -0.14 0.00 -1.36 0.00 0.00 55.97 53.92 1h59 s LYS 27 Cb 0.11 0.24 -0.05 0.00 -1.68 0.00 0.00 37.83 36.45 1h59 s LYS 27 CO 0.81 -0.16 1.01 -1.25 -0.76 0.00 0.00 175.35 175.01 1h59 s PRO 28 N -2.01 3.68 0.38 -1.68 0.04 -1.26 -4.77 135.00 129.38 1h59 s PRO 28 Ca -0.10 0.89 -0.25 0.00 0.04 0.00 0.00 61.00 61.58 1h59 s PRO 28 Cb -0.04 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1h59 s PRO 28 CO -0.01 -0.50 1.09 0.99 0.04 0.00 0.00 177.00 178.61 1h59 s THR 29 N -2.88 3.52 0.00 1.26 2.01 -0.06 -4.68 115.64 114.81 1h59 s THR 29 Ca 0.58 1.26 0.00 0.00 0.31 0.00 0.00 61.69 63.84 1h59 s THR 29 Cb -0.11 -3.70 0.00 0.00 0.01 0.00 0.00 72.50 68.70 1h59 s THR 29 CO 0.43 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 1h59 n GLY 30 N 0.59 1.95 7.00 4.40 0.00 -1.26 -4.92 105.19 112.96 1h59 n GLY 30 Ca 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1h59 n GLY 30 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1h59 n TYR 31 N 7.21 0.00 -0.19 1.61 4.19 -1.26 -5.23 117.16 123.48 1h59 n TYR 31 Ca 0.00 0.00 -0.08 0.00 3.31 0.00 0.00 57.90 61.13 1h59 n TYR 31 Cb 0.00 0.02 0.08 0.00 0.49 0.00 0.00 39.34 39.93 1h59 n TYR 31 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 1h59 n THR 41 N 0.00 0.00 -2.66 2.97 5.66 -1.26 -5.20 114.28 113.79 1h59 n THR 41 Ca 0.00 -0.03 -0.31 0.00 -3.05 0.00 0.00 64.05 60.66 1h59 n THR 41 Cb 0.00 -0.45 -0.03 0.00 -1.55 0.00 0.00 70.33 68.30 1h59 n THR 41 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1h59 s GLY 42 N -2.47 1.94 0.31 1.09 0.00 -1.13 -4.20 107.32 102.85 1h59 s GLY 42 Ca 0.18 -0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.81 1h59 s GLY 42 CO 0.15 0.12 1.87 1.19 0.00 0.00 0.00 173.10 176.42 1h59 h ILE 43 N 0.93 1.21 -0.40 0.90 6.09 -1.45 -2.04 117.51 122.74 1h59 h ILE 43 Ca -0.47 -0.73 -0.03 0.00 -1.37 0.00 0.00 64.86 62.27 1h59 h ILE 43 Cb 1.19 0.69 -0.02 0.00 0.47 0.00 0.00 36.82 39.15 1h59 h ILE 43 CO 0.63 0.27 0.14 0.58 -3.07 0.00 0.00 178.15 176.70 1h59 h VAL 44 N 0.72 1.21 0.38 2.19 2.07 -1.95 0.13 116.25 121.00 1h59 h VAL 44 Ca 0.16 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1h59 h VAL 44 Cb 0.25 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1h59 h VAL 44 CO -0.00 0.24 -0.21 0.44 0.02 0.00 0.00 177.57 178.06 1h59 h ASP 45 N 0.50 -0.50 0.03 0.57 3.45 -1.88 0.41 116.42 119.00 1h59 h ASP 45 Ca 0.13 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.61 1h59 h ASP 45 Cb 0.23 0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.14 1h59 h ASP 45 CO -0.01 -0.34 -0.02 -0.33 -1.57 0.00 0.00 179.24 176.98 1h59 h GLU 46 N -0.55 -0.04 -0.90 3.56 4.39 -1.29 -2.62 114.58 117.14 1h59 h GLU 46 Ca -0.05 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.68 1h59 h GLU 46 Cb 0.43 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.05 1h59 h GLU 46 CO 0.06 -0.03 0.59 0.00 -1.16 0.00 0.00 179.01 178.48 1h59 n PHE 49 N -3.37 0.00 0.00 0.00 3.72 -1.00 -4.70 117.46 112.11 1h59 n PHE 49 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1h59 n PHE 49 Cb 1.02 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 1h59 n PHE 49 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1h59 n ARG 50 N -1.69 0.00 -3.69 -1.08 1.74 -0.02 -5.04 116.66 106.87 1h59 n ARG 50 Ca -0.01 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.93 1h59 n ARG 50 Cb 0.24 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.59 1h59 n ARG 50 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1h59 s SER 51 N 0.46 -0.54 0.01 0.55 0.15 -0.16 -4.85 113.70 109.32 1h59 s SER 51 Ca 0.00 1.00 0.05 0.00 0.70 0.00 0.00 55.95 57.70 1h59 s SER 51 Cb 0.00 1.02 -0.01 0.00 -1.71 0.00 0.00 66.02 65.31 1h59 s SER 51 CO 0.00 -0.21 -0.15 0.00 1.20 0.00 0.00 173.24 174.08 1h59 s ASP 53 N -0.61 -0.20 0.28 0.00 1.47 -1.26 -4.62 116.67 111.72 1h59 s ASP 53 Ca 0.05 -0.71 -0.02 0.00 1.18 0.00 0.00 52.55 53.05 1h59 s ASP 53 Cb -0.06 0.69 0.43 0.00 -0.34 0.00 0.00 42.92 43.64 1h59 s ASP 53 CO 0.00 -1.30 1.91 -0.07 0.68 0.00 0.00 175.17 176.39 1h59 h LEU 54 N 2.07 1.01 -0.88 2.11 3.38 -2.00 -2.51 115.31 118.48 1h59 h LEU 54 Ca -0.21 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1h59 h LEU 54 Cb 1.25 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1h59 h LEU 54 CO 0.27 0.66 0.09 -0.09 0.09 0.00 0.00 178.44 179.46 1h59 h ARG 55 N 1.15 0.92 -0.46 1.13 2.43 -2.00 -2.43 114.38 115.13 1h59 h ARG 55 Ca 0.40 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1h59 h ARG 55 Cb 0.10 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1h59 h ARG 55 CO -0.14 0.86 0.17 -0.09 -1.51 0.00 0.00 179.97 179.26 1h59 h ARG 56 N 0.87 0.69 -0.37 0.20 9.65 -1.87 -3.02 114.38 120.53 1h59 h ARG 56 Ca 0.18 -0.13 0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1h59 h ARG 56 Cb 0.39 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 1h59 h ARG 56 CO 0.01 0.63 0.23 -0.07 2.80 0.00 0.00 179.97 183.58 1h59 h LEU 57 N 0.60 0.40 -2.11 3.80 3.38 -1.23 -2.68 115.31 117.46 1h59 h LEU 57 Ca 0.15 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1h59 h LEU 57 Cb 0.21 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1h59 h LEU 57 CO -0.01 0.29 -0.05 -0.33 0.09 0.00 0.00 178.44 178.42 1h59 h GLU 58 N 0.48 0.00 0.00 1.13 5.08 -1.37 -1.74 114.58 118.15 1h59 h GLU 58 Ca 0.14 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1h59 h GLU 58 Cb -0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1h59 h GLU 58 CO -0.04 0.05 -0.10 0.52 -1.00 0.00 0.00 179.01 178.44 1h59 h MET 59 N 0.00 0.00 -0.02 2.33 2.86 -1.35 -2.55 114.93 116.20 1h59 h MET 59 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1h59 h MET 59 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1h59 h MET 59 CO 0.01 0.10 -0.11 0.66 1.06 0.00 0.00 176.91 178.63 1h59 n TYR 60 N -3.70 0.00 -2.09 -0.22 4.02 -0.66 -0.88 117.16 113.63 1h59 n TYR 60 Ca -0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.52 1h59 n TYR 60 Cb 0.22 -0.03 0.02 0.00 -0.02 0.00 0.00 39.34 39.53 1h59 n TYR 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1h59 s ALA 62 N -1.79 2.78 0.85 0.00 0.00 0.40 -4.55 121.76 119.45 1h59 s ALA 62 Ca 0.74 -0.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.44 1h59 s ALA 62 Cb -0.26 -3.09 0.10 0.00 0.00 0.00 0.00 23.12 19.87 1h59 s ALA 62 CO 0.31 -1.14 1.09 -2.14 0.00 0.00 0.00 175.76 173.89 1h59 s PRO 63 N -5.20 1.67 0.00 0.00 0.02 -1.26 -4.82 135.00 125.42 1h59 s PRO 63 Ca 0.58 0.76 0.00 0.00 0.02 0.00 0.00 61.00 62.36 1h59 s PRO 63 Cb -0.12 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1h59 s PRO 63 CO 0.54 -1.94 0.00 1.28 -0.33 0.00 0.00 177.00 176.55