#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ys0 s SER 2 N 0.00 4.14 0.07 1.61 0.01 -1.26 -4.95 113.70 113.32 2ys0 s SER 2 Ca 0.00 2.28 -0.23 0.00 1.31 0.00 0.00 55.95 59.32 2ys0 s SER 2 Cb 0.00 -2.58 -0.14 0.00 0.21 0.00 0.00 66.02 63.51 2ys0 s SER 2 CO 0.00 -2.30 1.61 -1.28 0.41 0.00 0.00 173.24 171.69 2ys0 h SER 3 N -0.48 0.09 -4.11 2.44 0.87 -2.08 -3.49 113.55 106.79 2ys0 h SER 3 Ca -0.47 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 2ys0 h SER 3 Cb 1.29 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2ys0 h SER 3 CO 0.49 0.21 0.00 0.61 -0.53 0.00 0.00 176.83 177.62 2ys0 n GLY 4 N -0.71 2.96 3.97 5.77 0.00 -1.26 -5.10 105.19 110.81 2ys0 n GLY 4 Ca -0.06 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 43.92 2ys0 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ys0 s SER 5 N 0.00 4.58 0.22 1.61 1.04 -1.26 -5.01 113.70 114.87 2ys0 s SER 5 Ca 0.00 -0.00 -0.32 0.00 0.48 0.00 0.00 55.95 56.11 2ys0 s SER 5 Cb 0.00 -0.54 -0.12 0.00 0.10 0.00 0.00 66.02 65.46 2ys0 s SER 5 CO 0.00 -1.70 1.71 -0.94 0.98 0.00 0.00 173.24 173.28 2ys0 s SER 6 N -4.62 6.38 -0.55 7.02 1.04 -1.26 -4.96 113.70 116.75 2ys0 s SER 6 Ca 0.63 2.88 0.05 0.00 0.48 0.00 0.00 55.95 60.00 2ys0 s SER 6 Cb -0.08 -2.60 0.20 0.00 0.10 0.00 0.00 66.02 63.64 2ys0 s SER 6 CO 0.44 -0.97 0.50 0.61 0.98 0.00 0.00 173.24 174.80 2ys0 n GLY 7 N 3.71 3.39 1.72 7.32 0.00 -1.26 -4.95 105.19 115.11 2ys0 n GLY 7 Ca 0.15 -2.05 -0.07 0.00 0.00 0.00 0.00 46.02 44.05 2ys0 n GLY 7 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2ys0 n TRP 8 N 1.92 0.47 -4.03 1.61 7.02 -1.26 -4.44 117.44 118.72 2ys0 n TRP 8 Ca 0.25 -1.36 -0.09 0.00 -1.02 0.00 0.00 57.50 55.29 2ys0 n TRP 8 Cb 0.43 -0.81 -0.09 0.00 -2.42 0.00 0.00 31.31 28.43 2ys0 n TRP 8 CO 0.00 0.00 0.00 0.95 -2.02 0.00 0.00 177.69 176.62 2ys0 s THR 9 N -0.56 0.14 0.24 -0.99 -4.23 -1.26 -4.21 115.64 104.78 2ys0 s THR 9 Ca 0.20 -1.63 0.09 0.00 -1.18 0.00 0.00 61.69 59.18 2ys0 s THR 9 Cb 0.12 -1.68 -0.05 0.00 1.34 0.00 0.00 72.50 72.24 2ys0 s THR 9 CO -0.01 -0.66 -0.16 0.00 -0.54 0.00 0.00 174.62 173.25 2ys0 s ASN 11 N -3.41 3.79 0.24 0.00 3.84 -1.26 -4.92 114.94 113.22 2ys0 s ASN 11 Ca 0.26 -0.55 -0.14 0.00 0.21 0.00 0.00 52.86 52.64 2ys0 s ASN 11 Cb -0.02 -0.52 0.31 0.00 -0.55 0.00 0.00 41.25 40.47 2ys0 s ASN 11 CO 0.11 0.20 1.56 0.50 -2.79 0.00 0.00 177.10 176.67 2ys0 h LYS 12 N 3.94 -0.02 -0.15 0.43 3.64 -1.97 0.23 116.57 122.67 2ys0 h LYS 12 Ca -0.49 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2ys0 h LYS 12 Cb 1.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2ys0 h LYS 12 CO 0.45 -0.01 0.09 0.74 -2.27 0.00 0.00 179.45 178.45 2ys0 h PHE 13 N -0.02 0.20 -0.97 1.91 0.04 -1.97 -2.66 116.94 113.47 2ys0 h PHE 13 Ca 0.38 -0.00 0.30 0.00 2.80 0.00 0.00 57.97 61.44 2ys0 h PHE 13 Cb 0.63 -0.07 -0.15 0.00 2.20 0.00 0.00 35.95 38.57 2ys0 h PHE 13 CO -0.79 0.20 0.49 0.00 -0.60 0.00 0.00 178.31 177.61 2ys0 h ARG 14 N 0.15 0.31 -6.30 1.51 2.47 -0.92 -3.41 114.38 108.19 2ys0 h ARG 14 Ca 0.05 -0.02 -0.67 0.00 -1.26 0.00 0.00 59.98 58.09 2ys0 h ARG 14 Cb 0.06 -0.07 0.05 0.00 -1.65 0.00 0.00 29.97 28.35 2ys0 h ARG 14 CO -0.01 0.20 0.64 0.00 0.56 0.00 0.00 179.97 181.37 2ys0 n GLY 16 N 3.11 0.58 3.91 0.00 0.00 -0.66 -5.00 105.19 107.13 2ys0 n GLY 16 Ca 0.20 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 2ys0 n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ys0 s GLU 17 N -5.11 3.23 -0.18 1.61 4.04 -0.68 -4.95 118.70 116.66 2ys0 s GLU 17 Ca 0.10 -0.86 0.19 0.00 0.04 0.00 0.00 54.97 54.44 2ys0 s GLU 17 Cb -0.05 -2.76 0.46 0.00 0.02 0.00 0.00 34.13 31.80 2ys0 s GLU 17 CO 0.13 0.43 1.16 1.63 -1.84 0.00 0.00 175.26 176.76 2ys0 n LYS 18 N -1.24 1.49 -3.39 -4.83 4.76 -1.26 -4.45 118.16 109.24 2ys0 n LYS 18 Ca -0.08 -3.12 -0.12 0.00 -2.87 0.00 0.00 58.31 52.11 2ys0 n LYS 18 Cb 0.57 -1.22 -0.09 0.00 -1.84 0.00 0.00 35.03 32.45 2ys0 n LYS 18 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2ys0 s ARG 19 N -2.49 0.31 -0.08 1.97 3.00 -1.26 -5.14 118.95 115.26 2ys0 s ARG 19 Ca 0.35 0.35 -0.04 0.00 0.00 0.00 0.00 55.73 56.40 2ys0 s ARG 19 Cb 0.37 -0.68 0.04 0.00 0.00 0.00 0.00 34.95 34.67 2ys0 s ARG 19 CO -0.07 -0.71 0.18 -0.48 0.00 0.00 0.00 175.30 174.22 2ys0 s LEU 20 N 2.47 0.61 0.00 2.53 2.34 -1.26 -5.03 118.68 120.34 2ys0 s LEU 20 Ca 0.11 0.38 0.00 0.00 0.06 0.00 0.00 54.13 54.67 2ys0 s LEU 20 Cb -0.15 0.49 0.00 0.00 -0.56 0.00 0.00 46.19 45.97 2ys0 s LEU 20 CO -0.17 -0.16 0.00 1.07 -1.06 0.00 0.00 176.35 176.03 2ys0 n THR 21 N 4.22 0.00 -3.66 5.48 5.66 -1.26 -4.96 114.28 119.76 2ys0 n THR 21 Ca -0.26 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.46 2ys0 n THR 21 Cb 0.52 -0.39 -0.11 0.00 -1.55 0.00 0.00 70.33 68.80 2ys0 n THR 21 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2ys0 n ARG 22 N -2.15 1.08 -3.67 1.09 5.12 -1.26 -5.06 116.66 111.80 2ys0 n ARG 22 Ca 0.00 -3.89 -0.09 0.00 -1.93 0.00 0.00 57.85 51.95 2ys0 n ARG 22 Cb 0.27 -2.00 -0.10 0.00 -1.16 0.00 0.00 32.46 29.47 2ys0 n ARG 22 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2ys0 s SER 23 N -0.78 -0.51 0.17 0.55 0.01 -1.26 -5.05 113.70 106.83 2ys0 s SER 23 Ca 0.29 1.03 -0.15 0.00 1.31 0.00 0.00 55.95 58.43 2ys0 s SER 23 Cb -0.00 1.11 0.09 0.00 0.21 0.00 0.00 66.02 67.43 2ys0 s SER 23 CO -0.18 -0.21 1.77 -0.07 0.41 0.00 0.00 173.24 174.96 2ys0 h LEU 24 N 7.50 0.28-10.27 2.44 3.38 -1.97 -3.44 115.31 113.23 2ys0 h LEU 24 Ca -0.28 0.03 -0.54 0.00 0.09 0.00 0.00 57.88 57.18 2ys0 h LEU 24 Cb 1.16 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 2ys0 h LEU 24 CO 0.21 0.20 -0.33 0.00 0.09 0.00 0.00 178.44 178.61 2ys0 s ALA 26 N -2.64 2.02 -0.65 0.00 0.00 -0.85 -4.94 121.76 114.69 2ys0 s ALA 26 Ca 0.42 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 2ys0 s ALA 26 Cb -0.02 -0.85 0.45 0.00 0.00 0.00 0.00 23.12 22.70 2ys0 s ALA 26 CO 0.25 0.11 1.99 0.00 0.00 0.00 0.00 175.76 178.11 2ys0 s SER 28 N -1.91 3.37 0.22 0.00 0.15 -1.26 -1.65 113.70 112.61 2ys0 s SER 28 Ca 0.64 -0.94 -0.09 0.00 0.70 0.00 0.00 55.95 56.26 2ys0 s SER 28 Cb 0.50 -0.26 0.32 0.00 -1.71 0.00 0.00 66.02 64.88 2ys0 s SER 28 CO -0.02 0.05 1.72 0.44 1.20 0.00 0.00 173.24 176.63 2ys0 h ASP 29 N 2.78 0.12 -0.91 5.45 5.19 -1.93 -1.46 116.42 125.66 2ys0 h ASP 29 Ca -0.43 0.10 0.24 0.00 -0.62 0.00 0.00 57.03 56.32 2ys0 h ASP 29 Cb 1.23 0.11 -0.16 0.00 0.18 0.00 0.00 39.33 40.69 2ys0 h ASP 29 CO 0.54 0.06 0.03 -0.78 -3.12 0.00 0.00 179.24 175.97 2ys0 h ASP 30 N 0.34 -0.41 -1.10 6.45 3.58 -1.96 0.61 116.42 123.92 2ys0 h ASP 30 Ca 0.33 0.25 0.37 0.00 0.42 0.00 0.00 57.03 58.40 2ys0 h ASP 30 Cb 0.48 0.43 -0.14 0.00 1.72 0.00 0.00 39.33 41.81 2ys0 h ASP 30 CO -0.38 -0.28 0.66 0.00 -2.88 0.00 0.00 179.24 176.36 2ys0 h LYS 32 N 0.21 -0.19 0.13 0.00 1.57 0.11 0.94 116.57 119.34 2ys0 h LYS 32 Ca 0.77 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.55 2ys0 h LYS 32 Cb 2.02 0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.38 2ys0 h LYS 32 CO -0.55 -0.13 -0.06 -0.44 -0.57 0.00 0.00 179.45 177.69 2ys0 h ASP 33 N -0.20 -0.15 0.75 0.86 5.19 -0.49 -3.35 116.42 119.03 2ys0 h ASP 33 Ca -0.01 -0.34 -0.04 0.00 -0.62 0.00 0.00 57.03 56.02 2ys0 h ASP 33 Cb 0.18 0.04 0.01 0.00 0.18 0.00 0.00 39.33 39.73 2ys0 h ASP 33 CO 0.00 0.30 -0.36 1.56 -3.12 0.00 0.00 179.24 177.62 2ys0 h GLN 34 N -0.64 -0.97 0.00 3.56 1.08 -0.60 -3.48 115.11 114.05 2ys0 h GLN 34 Ca -0.02 0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2ys0 h GLN 34 Cb 0.49 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 2ys0 h GLN 34 CO 0.03 -0.65 0.00 0.41 -0.95 0.00 0.00 178.83 177.67 2ys0 n GLY 35 N -1.32 0.83 2.63 3.46 0.00 0.32 -5.05 105.19 106.05 2ys0 n GLY 35 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 2ys0 n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ys0 n ASP 36 N 0.00 2.38 -4.71 1.61 8.00 -0.72 -5.04 116.55 118.08 2ys0 n ASP 36 Ca 0.00 -2.55 -0.41 0.00 0.71 0.00 0.00 54.79 52.54 2ys0 n ASP 36 Cb 0.00 -0.46 -0.04 0.00 -0.02 0.00 0.00 41.12 40.60 2ys0 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ys0 h ILE 39 N -0.59 0.82 -1.07 0.00 6.09 -1.96 -1.87 117.51 118.92 2ys0 h ILE 39 Ca -0.43 -0.20 -0.64 0.00 -1.37 0.00 0.00 64.86 62.21 2ys0 h ILE 39 Cb 1.36 0.17 -0.34 0.00 0.47 0.00 0.00 36.82 38.47 2ys0 h ILE 39 CO 0.34 0.11 0.28 -0.46 -3.07 0.00 0.00 178.15 175.35 2ys0 n ASN 40 N -4.87 6.65 -0.04 2.19 6.94 -1.26 -4.68 115.26 120.18 2ys0 n ASN 40 Ca 0.12 -3.78 -0.14 0.00 -0.02 0.00 0.00 54.58 50.76 2ys0 n ASN 40 Cb 0.31 -0.76 -0.08 0.00 -2.36 0.00 0.00 39.78 36.89 2ys0 n ASN 40 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 2ys0 h TYR 41 N 2.21 0.45 -0.15 -2.53 5.03 -1.64 -2.61 116.97 117.72 2ys0 h TYR 41 Ca 0.51 -0.16 -0.19 0.00 2.58 0.00 0.00 58.73 61.46 2ys0 h TYR 41 Cb 0.95 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.14 2ys0 h TYR 41 CO 1.19 0.84 -0.69 1.03 -1.32 0.00 0.00 178.16 179.21 2ys0 h SER 42 N -0.07 0.73 -0.97 -2.11 0.87 -1.83 0.42 113.55 110.59 2ys0 h SER 42 Ca 0.00 -0.45 0.01 0.00 -1.23 0.00 0.00 61.79 60.12 2ys0 h SER 42 Cb 0.82 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.52 2ys0 h SER 42 CO 0.05 1.21 0.63 -1.28 -0.53 0.00 0.00 176.83 176.91 2ys0 h SER 43 N 0.45 1.13 0.00 6.23 0.87 -1.81 0.77 113.55 121.19 2ys0 h SER 43 Ca -0.03 -0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.35 2ys0 h SER 43 Cb 1.28 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 2ys0 h SER 43 CO 0.13 0.83 -0.90 0.58 -0.53 0.00 0.00 176.83 176.95 2ys0 h VAL 44 N 1.33 0.86 0.38 2.23 2.07 -1.44 -3.35 116.25 118.33 2ys0 h VAL 44 Ca 0.36 -1.96 -0.02 0.00 0.82 0.00 0.00 66.70 65.89 2ys0 h VAL 44 Cb -0.13 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2ys0 h VAL 44 CO -0.07 0.29 -0.18 0.00 0.02 0.00 0.00 177.57 177.62 2ys0 n GLN 46 N -5.03 1.74 0.00 0.00 1.13 0.27 -4.81 117.38 110.68 2ys0 n GLN 46 Ca -0.06 -0.79 0.00 0.00 -1.94 0.00 0.00 57.00 54.20 2ys0 n GLN 46 Cb 0.20 -1.82 0.00 0.00 0.11 0.00 0.00 30.24 28.73 2ys0 n GLN 46 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2ys0 n GLY 47 N 2.36 0.87 2.82 1.08 0.00 -1.14 -4.61 105.19 106.57 2ys0 n GLY 47 Ca 0.34 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 2ys0 n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ys0 s GLU 48 N 0.00 1.83 -0.35 1.61 -6.30 -1.26 -5.04 118.70 109.19 2ys0 s GLU 48 Ca 0.00 -2.61 0.02 0.00 -2.50 0.00 0.00 54.97 49.88 2ys0 s GLU 48 Cb 0.00 -2.91 0.11 0.00 0.00 0.00 0.00 34.13 31.32 2ys0 s GLU 48 CO 0.00 -1.20 0.10 0.21 0.02 0.00 0.00 175.26 174.39 2ys0 s LYS 49 N -0.40 1.19 -0.30 4.30 2.20 -1.26 -4.58 119.74 120.88 2ys0 s LYS 49 Ca 0.21 -1.62 -0.12 0.00 -0.36 0.00 0.00 55.97 54.08 2ys0 s LYS 49 Cb -0.17 -2.65 0.15 0.00 -1.51 0.00 0.00 37.83 33.64 2ys0 s LYS 49 CO -0.06 -0.99 0.80 0.45 -0.36 0.00 0.00 175.35 175.19 2ys0 s SER 50 N 1.06 -0.91 -1.57 1.43 0.15 -1.26 -4.95 113.70 107.65 2ys0 s SER 50 Ca 0.11 1.17 -0.12 0.00 0.70 0.00 0.00 55.95 57.81 2ys0 s SER 50 Cb -0.19 2.00 0.09 0.00 -1.71 0.00 0.00 66.02 66.21 2ys0 s SER 50 CO -0.14 -0.17 0.73 -0.24 1.20 0.00 0.00 173.24 174.62 2ys0 n SER 51 N 5.25 -2.77 -3.95 5.45 2.88 -1.26 -4.95 113.62 114.27 2ys0 n SER 51 Ca -0.10 -0.95 -0.10 0.00 -1.33 0.00 0.00 58.87 56.39 2ys0 n SER 51 Cb 0.51 -3.14 -0.12 0.00 -0.75 0.00 0.00 64.21 60.71 2ys0 n SER 51 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ys0 s GLY 52 N -3.62 0.19 0.07 0.46 0.00 -1.26 -5.06 107.32 98.09 2ys0 s GLY 52 Ca 0.50 -0.41 -0.18 0.00 0.00 0.00 0.00 44.72 44.63 2ys0 s GLY 52 CO 0.89 -0.46 1.38 -0.56 0.00 0.00 0.00 173.10 174.35 2ys0 h PRO 53 N 5.14 0.50 -2.73 2.90 0.13 -2.00 -3.45 132.00 132.50 2ys0 h PRO 53 Ca -0.30 -0.27 -0.13 0.00 -0.87 0.00 0.00 66.00 64.44 2ys0 h PRO 53 Cb 1.21 0.01 -0.27 0.00 0.13 0.00 0.00 31.00 32.08 2ys0 h PRO 53 CO 0.44 0.85 -0.32 0.45 -0.23 0.00 0.00 178.00 179.19 2ys0 s SER 54 N -6.31 -0.46 -0.07 1.44 0.15 -1.26 -5.04 113.70 102.15 2ys0 s SER 54 Ca -0.13 0.82 -0.05 0.00 0.70 0.00 0.00 55.95 57.29 2ys0 s SER 54 Cb 0.07 0.72 -0.18 0.00 -1.71 0.00 0.00 66.02 64.92 2ys0 s SER 54 CO 0.79 -0.18 3.29 -1.20 1.20 0.00 0.00 173.24 177.14 2ys0 n SER 55 N 3.99 5.46 0.00 5.45 7.64 -1.26 -5.12 113.62 129.78 2ys0 n SER 55 Ca -0.22 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.07 2ys0 n SER 55 Cb 0.55 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 2ys0 n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64