#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 0.16 0.29 1.61 0.01 -1.26 -5.04 113.70 109.47 2ys0 s SER 2 Ca 0.00 -0.68 0.01 0.00 1.31 0.00 0.00 55.95 56.60 2ys0 s SER 2 Cb 0.00 0.32 0.69 0.00 0.21 0.00 0.00 66.02 67.24 2ys0 s SER 2 CO 0.00 -0.70 1.64 0.28 0.41 0.00 0.00 173.24 174.87 2ys0 h SER 3 N 2.85 -0.04 -2.09 2.44 0.02 -2.12 -3.35 113.55 111.25 2ys0 h SER 3 Ca -0.34 0.20 -0.52 0.00 -0.84 0.00 0.00 61.79 60.30 2ys0 h SER 3 Cb 1.19 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.99 2ys0 h SER 3 CO 0.57 -0.17 1.40 -0.83 -1.14 0.00 0.00 176.83 176.66 2ys0 s GLY 4 N -3.94 0.24 -0.26 -3.77 0.00 -1.26 -4.79 107.32 93.54 2ys0 s GLY 4 Ca -0.12 -0.23 -0.15 0.00 0.00 0.00 0.00 44.72 44.22 2ys0 s GLY 4 CO 0.77 3.54 -0.30 -1.26 0.00 0.00 0.00 173.10 175.85 2ys0 n SER 5 N 12.71 1.95 -4.53 1.64 2.88 -1.26 -4.86 113.62 122.14 2ys0 n SER 5 Ca 0.25 0.35 -0.32 0.00 -1.33 0.00 0.00 58.87 57.82 2ys0 n SER 5 Cb 0.51 -0.83 -0.09 0.00 -0.75 0.00 0.00 64.21 63.05 2ys0 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ys0 n SER 6 N -4.29 1.28 0.00 -3.46 7.64 -1.26 -4.27 113.62 109.26 2ys0 n SER 6 Ca -0.49 -0.49 0.00 0.00 1.01 0.00 0.00 58.87 58.89 2ys0 n SER 6 Cb 0.84 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 2ys0 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ys0 n GLY 7 N 6.23 -1.18 2.37 0.23 0.00 -1.26 -4.99 105.19 106.59 2ys0 n GLY 7 Ca 0.50 0.68 -0.35 0.00 0.00 0.00 0.00 46.02 46.85 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 0.00 3.19 -3.71 1.61 7.02 -1.26 -4.68 117.44 119.61 2ys0 n TRP 8 Ca 0.00 -2.93 -0.23 0.00 -1.02 0.00 0.00 57.50 53.32 2ys0 n TRP 8 Cb 0.00 -1.37 -0.18 0.00 -2.42 0.00 0.00 31.31 27.34 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 -4.85 0.14 0.61 -0.99 -4.23 -1.26 -3.92 115.64 101.14 2ys0 s THR 9 Ca 0.63 0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 61.21 2ys0 s THR 9 Cb 0.50 -0.43 0.00 0.00 1.34 0.00 0.00 72.50 73.90 2ys0 s THR 9 CO -0.05 0.11 0.95 0.00 -0.54 0.00 0.00 174.62 175.09 2ys0 s ASN 11 N -4.28 2.75 0.13 0.00 0.01 -1.26 -4.91 114.94 107.38 2ys0 s ASN 11 Ca 0.54 -1.11 -0.27 0.00 -0.71 0.00 0.00 52.86 51.31 2ys0 s ASN 11 Cb -0.11 -0.17 -0.04 0.00 0.41 0.00 0.00 41.25 41.35 2ys0 s ASN 11 CO 0.47 -0.24 1.60 0.11 -1.51 0.00 0.00 177.10 177.53 2ys0 h LYS 12 N 2.39 -0.44 -0.37 -0.60 1.79 -1.96 -2.05 116.57 115.34 2ys0 h LYS 12 Ca -0.39 0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.16 2ys0 h LYS 12 Cb 1.23 0.10 -0.05 0.00 -1.58 0.00 0.00 32.23 31.93 2ys0 h LYS 12 CO 0.65 -0.29 0.08 0.74 -1.08 0.00 0.00 179.45 179.54 2ys0 h PHE 13 N -0.46 0.13 -0.54 -1.35 -1.00 -2.00 -2.65 116.94 109.08 2ys0 h PHE 13 Ca 0.08 0.02 0.09 0.00 2.81 0.00 0.00 57.97 60.98 2ys0 h PHE 13 Cb 0.58 -0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.03 2ys0 h PHE 13 CO -0.42 0.02 -0.36 0.00 -1.61 0.00 0.00 178.31 175.95 2ys0 h ARG 14 N 0.20 -0.20 -6.02 1.51 2.47 -1.76 -3.41 114.38 107.17 2ys0 h ARG 14 Ca 0.18 0.01 -0.82 0.00 -1.26 0.00 0.00 59.98 58.09 2ys0 h ARG 14 Cb 0.20 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.56 2ys0 h ARG 14 CO -0.23 -0.13 0.92 0.00 0.56 0.00 0.00 179.97 181.09 2ys0 n GLY 16 N 5.02 0.93 3.30 0.00 0.00 -1.08 -5.03 105.19 108.33 2ys0 n GLY 16 Ca 0.37 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.14 1.18 -0.17 1.61 -1.05 -1.01 -5.05 118.70 114.07 2ys0 s GLU 17 Ca 0.00 -1.34 0.20 0.00 -0.15 0.00 0.00 54.97 53.69 2ys0 s GLU 17 Cb 0.00 -1.20 0.47 0.00 -0.44 0.00 0.00 34.13 32.96 2ys0 s GLU 17 CO 0.00 0.24 1.15 1.63 0.95 0.00 0.00 175.26 179.24 2ys0 n LYS 18 N 0.42 1.39 -3.67 -4.83 5.02 -1.26 -4.44 118.16 110.80 2ys0 n LYS 18 Ca -0.14 -3.07 -0.08 0.00 -2.02 0.00 0.00 58.31 53.00 2ys0 n LYS 18 Cb 0.57 -1.16 -0.09 0.00 -0.02 0.00 0.00 35.03 34.33 2ys0 n LYS 18 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2ys0 s ARG 19 N -2.42 0.43 0.35 1.97 0.52 -1.26 -5.17 118.95 113.37 2ys0 s ARG 19 Ca 0.34 1.05 -0.09 0.00 -0.52 0.00 0.00 55.73 56.51 2ys0 s ARG 19 Cb 0.36 0.28 0.02 0.00 0.52 0.00 0.00 34.95 36.13 2ys0 s ARG 19 CO -0.08 -0.20 0.60 -0.48 0.02 0.00 0.00 175.30 175.16 2ys0 s LEU 20 N 2.17 0.56 -0.15 2.53 -0.00 -1.26 -5.12 118.68 117.41 2ys0 s LEU 20 Ca -0.06 -1.29 -0.01 0.00 -0.00 0.00 0.00 54.13 52.77 2ys0 s LEU 20 Cb -0.10 2.03 0.04 0.00 -0.00 0.00 0.00 46.19 48.16 2ys0 s LEU 20 CO -0.15 -1.43 -0.03 0.28 -0.00 0.00 0.00 176.35 175.03 2ys0 s THR 21 N -2.89 0.87 -1.34 5.48 -1.32 -1.26 -4.84 115.64 110.35 2ys0 s THR 21 Ca 0.24 -0.46 -0.16 0.00 -1.21 0.00 0.00 61.69 60.10 2ys0 s THR 21 Cb -0.02 -1.09 0.16 0.00 -1.51 0.00 0.00 72.50 70.03 2ys0 s THR 21 CO 0.16 0.11 0.40 0.54 -2.21 0.00 0.00 174.62 173.61 2ys0 n ARG 22 N 4.96 -0.80 -2.53 7.08 1.74 -1.26 -4.80 116.66 121.05 2ys0 n ARG 22 Ca -0.11 0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.65 2ys0 n ARG 22 Cb 0.48 -3.33 -0.03 0.00 -1.02 0.00 0.00 32.46 28.56 2ys0 n ARG 22 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ys0 s SER 23 N -2.73 7.12 0.27 0.55 0.15 -1.26 -4.92 113.70 112.88 2ys0 s SER 23 Ca 0.56 1.76 0.00 0.00 0.70 0.00 0.00 55.95 58.97 2ys0 s SER 23 Cb -0.32 -2.56 0.62 0.00 -1.71 0.00 0.00 66.02 62.04 2ys0 s SER 23 CO 0.74 -0.52 1.70 -0.07 1.20 0.00 0.00 173.24 176.29 2ys0 h LEU 24 N 7.91 0.22 -8.78 3.45 3.38 -1.87 -3.42 115.31 116.20 2ys0 h LEU 24 Ca -0.35 0.15 -0.34 0.00 0.09 0.00 0.00 57.88 57.43 2ys0 h LEU 24 Cb 1.17 0.15 -0.14 0.00 0.09 0.00 0.00 40.66 41.92 2ys0 h LEU 24 CO 0.86 0.00 -0.67 0.00 0.09 0.00 0.00 178.44 178.72 2ys0 s ALA 26 N -3.49 2.86 -0.61 0.00 0.00 0.28 -4.83 121.76 115.97 2ys0 s ALA 26 Ca 0.25 -0.97 -0.00 0.00 0.00 0.00 0.00 51.96 51.24 2ys0 s ALA 26 Cb 0.05 -1.08 0.45 0.00 0.00 0.00 0.00 23.12 22.54 2ys0 s ALA 26 CO 0.06 0.58 1.88 0.00 0.00 0.00 0.00 175.76 178.28 2ys0 s SER 28 N -2.14 4.02 -0.11 0.00 1.04 -1.26 -2.63 113.70 112.63 2ys0 s SER 28 Ca 0.62 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2ys0 s SER 28 Cb 0.49 -0.57 0.10 0.00 0.10 0.00 0.00 66.02 66.14 2ys0 s SER 28 CO -0.01 0.06 1.69 -0.90 0.98 0.00 0.00 173.24 175.05 2ys0 n ASP 29 N -0.39 4.77 0.00 7.02 5.68 -1.26 -3.49 116.55 128.89 2ys0 n ASP 29 Ca -0.08 -2.52 0.00 0.00 -0.50 0.00 0.00 54.79 51.69 2ys0 n ASP 29 Cb 0.58 -0.90 0.00 0.00 -1.14 0.00 0.00 41.12 39.66 2ys0 n ASP 29 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2ys0 n ASP 30 N 0.73 2.20 -0.31 -1.12 2.03 -1.26 -4.80 116.55 114.01 2ys0 n ASP 30 Ca 0.11 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.57 2ys0 n ASP 30 Cb 0.60 0.07 0.33 0.00 -0.72 0.00 0.00 41.12 41.40 2ys0 n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ys0 h LYS 32 N 0.42 0.07 -0.33 0.00 2.10 -1.87 0.94 116.57 117.89 2ys0 h LYS 32 Ca 0.58 -0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.20 2ys0 h LYS 32 Cb 1.13 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 2ys0 h LYS 32 CO -0.53 0.05 0.10 -0.44 -2.00 0.00 0.00 179.45 176.63 2ys0 h ASP 33 N 0.07 0.49 0.19 7.07 5.19 -1.20 -3.33 116.42 124.91 2ys0 h ASP 33 Ca 0.77 -0.21 -0.01 0.00 -0.62 0.00 0.00 57.03 56.96 2ys0 h ASP 33 Cb 1.89 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 41.28 2ys0 h ASP 33 CO -0.76 0.57 -0.09 1.56 -3.12 0.00 0.00 179.24 177.39 2ys0 h GLN 34 N 0.39 -0.24 0.00 3.56 4.20 0.48 -3.49 115.11 120.00 2ys0 h GLN 34 Ca 0.11 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2ys0 h GLN 34 Cb 0.26 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2ys0 h GLN 34 CO -0.00 -0.16 0.00 0.41 -0.67 0.00 0.00 178.83 178.41 2ys0 n GLY 35 N 1.02 0.72 2.63 3.46 0.00 0.23 -5.07 105.19 108.18 2ys0 n GLY 35 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 2.42 -4.92 1.61 8.00 -1.24 -5.05 116.55 117.37 2ys0 n ASP 36 Ca 0.00 -2.52 -0.26 0.00 0.71 0.00 0.00 54.79 52.72 2ys0 n ASP 36 Cb 0.00 -0.45 0.01 0.00 -0.02 0.00 0.00 41.12 40.66 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 -1.63 1.18 -0.75 0.00 2.10 -1.98 -3.18 117.51 113.24 2ys0 h ILE 39 Ca -0.51 -1.43 -0.48 0.00 1.08 0.00 0.00 64.86 63.52 2ys0 h ILE 39 Cb 1.30 1.80 -0.42 0.00 -1.09 0.00 0.00 36.82 38.40 2ys0 h ILE 39 CO 0.56 0.39 -0.89 -0.46 -1.08 0.00 0.00 178.15 176.68 2ys0 n ASN 40 N -3.89 4.07 0.41 2.19 6.94 -1.26 -4.87 115.26 118.85 2ys0 n ASN 40 Ca -0.01 -3.34 -0.18 0.00 -0.02 0.00 0.00 54.58 51.03 2ys0 n ASN 40 Cb 0.45 -0.39 -0.09 0.00 -2.36 0.00 0.00 39.78 37.40 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 2.33 -0.95 -0.46 -2.53 3.20 -1.91 -2.36 116.97 114.29 2ys0 h TYR 41 Ca 0.24 -0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.95 2ys0 h TYR 41 Cb 1.42 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.99 2ys0 h TYR 41 CO 0.76 -0.58 -0.26 0.77 -1.64 0.00 0.00 178.16 177.21 2ys0 h SER 42 N -1.11 1.01 -0.91 -2.11 0.02 -1.89 0.32 113.55 108.87 2ys0 h SER 42 Ca -0.11 -0.40 0.19 0.00 -0.84 0.00 0.00 61.79 60.63 2ys0 h SER 42 Cb 0.80 -0.28 -0.11 0.00 0.14 0.00 0.00 62.40 62.95 2ys0 h SER 42 CO 0.17 1.20 0.48 0.28 -1.14 0.00 0.00 176.83 177.82 2ys0 h SER 43 N 0.83 0.54 0.00 3.07 0.02 -1.73 0.98 113.55 117.25 2ys0 h SER 43 Ca 0.10 0.12 -0.20 0.00 -0.84 0.00 0.00 61.79 60.96 2ys0 h SER 43 Cb 0.84 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 2ys0 h SER 43 CO 0.07 0.15 -1.21 0.52 -1.14 0.00 0.00 176.83 175.23 2ys0 n VAL 44 N -4.90 1.51 0.23 2.27 0.31 -0.89 -4.44 118.33 112.41 2ys0 n VAL 44 Ca 0.21 -0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.45 2ys0 n VAL 44 Cb 0.57 -2.11 -0.04 0.00 -0.91 0.00 0.00 33.84 31.35 2ys0 n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ys0 s GLN 46 N -3.78 3.84 0.44 0.00 -0.21 0.34 -5.00 119.66 115.29 2ys0 s GLN 46 Ca -0.09 -1.94 -0.22 0.00 0.02 0.00 0.00 55.36 53.14 2ys0 s GLN 46 Cb 0.01 -5.20 -0.09 0.00 1.00 0.00 0.00 33.01 28.72 2ys0 s GLN 46 CO 0.26 -1.98 1.01 0.20 -2.12 0.00 0.00 175.29 172.67 2ys0 s GLY 47 N 3.81 2.54 -0.23 3.09 0.00 -1.24 -4.28 107.32 111.02 2ys0 s GLY 47 Ca 0.44 0.57 -0.28 0.00 0.00 0.00 0.00 44.72 45.44 2ys0 s GLY 47 CO -0.03 0.91 1.98 1.85 0.00 0.00 0.00 173.10 177.81 2ys0 s GLU 48 N -3.00 3.39 -0.08 2.90 2.12 -1.26 -4.88 118.70 117.90 2ys0 s GLU 48 Ca 0.63 1.85 -0.23 0.00 0.36 0.00 0.00 54.97 57.58 2ys0 s GLU 48 Cb -0.16 -4.25 -0.19 0.00 0.26 0.00 0.00 34.13 29.79 2ys0 s GLU 48 CO 0.20 -1.79 0.84 0.87 -0.54 0.00 0.00 175.26 174.83 2ys0 h LYS 49 N 13.31 -0.07 -5.99 4.30 1.79 -2.03 -3.42 116.57 124.46 2ys0 h LYS 49 Ca -0.39 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.48 2ys0 h LYS 49 Cb 1.20 0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 31.75 2ys0 h LYS 49 CO 0.99 0.55 0.49 -1.54 -1.08 0.00 0.00 179.45 178.85 2ys0 s SER 50 N -5.80 6.46 -0.02 0.86 1.04 -1.26 -5.03 113.70 109.94 2ys0 s SER 50 Ca -0.15 0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.32 2ys0 s SER 50 Cb -0.01 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 2ys0 s SER 50 CO 0.55 -1.00 -0.07 -0.55 0.98 0.00 0.00 173.24 173.16 2ys0 s SER 51 N 2.23 4.63 1.12 7.02 0.15 -1.26 -5.12 113.70 122.47 2ys0 s SER 51 Ca 0.34 -0.10 -0.13 0.00 0.70 0.00 0.00 55.95 56.76 2ys0 s SER 51 Cb -0.11 -1.11 0.26 0.00 -1.71 0.00 0.00 66.02 63.35 2ys0 s SER 51 CO 0.25 0.31 1.05 -0.83 1.20 0.00 0.00 173.24 175.22 2ys0 s GLY 52 N -1.22 1.54 0.40 9.45 0.00 -1.26 -4.97 107.32 111.27 2ys0 s GLY 52 Ca 0.16 -0.30 -0.25 0.00 0.00 0.00 0.00 44.72 44.33 2ys0 s GLY 52 CO 0.05 0.40 1.19 2.56 0.00 0.00 0.00 173.10 177.31 2ys0 s PRO 53 N -4.70 4.02 0.37 2.90 0.04 -1.26 -5.04 135.00 131.34 2ys0 s PRO 53 Ca 0.67 1.88 -0.16 0.00 0.04 0.00 0.00 61.00 63.44 2ys0 s PRO 53 Cb -0.22 -2.68 0.05 0.00 0.04 0.00 0.00 34.50 31.69 2ys0 s PRO 53 CO 0.62 -0.36 0.76 -1.12 0.04 0.00 0.00 177.00 176.94 2ys0 s SER 54 N -1.08 0.02 -0.49 6.66 0.01 -1.26 -5.11 113.70 112.45 2ys0 s SER 54 Ca 0.57 -1.10 -0.46 0.00 1.31 0.00 0.00 55.95 56.28 2ys0 s SER 54 Cb -0.32 0.83 -0.20 0.00 0.21 0.00 0.00 66.02 66.55 2ys0 s SER 54 CO 0.40 -1.63 1.73 -1.20 0.41 0.00 0.00 173.24 172.95 2ys0 n SER 55 N -1.29 1.17 0.00 2.44 7.64 -1.26 -5.31 113.62 117.00 2ys0 n SER 55 Ca -0.07 1.06 0.12 0.00 1.01 0.00 0.00 58.87 60.98 2ys0 n SER 55 Cb 0.60 -0.90 0.69 0.00 -1.01 0.00 0.00 64.21 63.59 2ys0 n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64