#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 0.03 0.54 1.61 0.01 -1.26 -5.16 113.70 109.48 2ys0 s SER 2 Ca 0.00 -0.09 -0.09 0.00 1.31 0.00 0.00 55.95 57.08 2ys0 s SER 2 Cb 0.00 0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.29 2ys0 s SER 2 CO 0.00 -0.12 0.91 -0.44 0.41 0.00 0.00 173.24 174.00 2ys0 s SER 3 N -0.47 6.30 0.00 2.44 0.01 -1.26 -5.07 113.70 115.65 2ys0 s SER 3 Ca -0.05 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.43 2ys0 s SER 3 Cb -0.03 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2ys0 s SER 3 CO -0.00 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.57 2ys0 n GLY 4 N -2.34 3.39 3.67 3.44 0.00 -1.26 -5.13 105.19 106.96 2ys0 n GLY 4 Ca 0.04 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 2ys0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ys0 s SER 5 N 0.00 6.21 0.23 1.61 0.01 -1.26 -4.98 113.70 115.51 2ys0 s SER 5 Ca 0.00 0.22 -0.06 0.00 1.31 0.00 0.00 55.95 57.42 2ys0 s SER 5 Cb 0.00 -2.13 0.36 0.00 0.21 0.00 0.00 66.02 64.45 2ys0 s SER 5 CO 0.00 0.05 1.78 0.77 0.41 0.00 0.00 173.24 176.25 2ys0 h SER 6 N 7.37 0.47 0.00 2.44 4.64 -2.01 -3.47 113.55 123.01 2ys0 h SER 6 Ca -0.38 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2ys0 h SER 6 Cb 1.17 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2ys0 h SER 6 CO 0.68 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 177.52 2ys0 n GLY 7 N -1.31 3.24 2.31 -0.77 0.00 -1.26 -4.98 105.19 102.43 2ys0 n GLY 7 Ca 0.12 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 3.21 -3.85 1.61 7.02 -1.26 -4.10 117.44 120.07 2ys0 n TRP 8 Ca 0.00 -2.96 -0.12 0.00 -1.02 0.00 0.00 57.50 53.39 2ys0 n TRP 8 Cb 0.00 -1.40 -0.14 0.00 -2.42 0.00 0.00 31.31 27.35 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 -4.76 -0.01 -0.09 -0.99 -4.23 -1.26 -3.69 115.64 100.61 2ys0 s THR 9 Ca 0.64 0.03 -0.03 0.00 -1.18 0.00 0.00 61.69 61.15 2ys0 s THR 9 Cb 0.51 -0.04 -0.03 0.00 1.34 0.00 0.00 72.50 74.27 2ys0 s THR 9 CO -0.00 0.01 0.03 0.00 -0.54 0.00 0.00 174.62 174.12 2ys0 s ASN 11 N -0.93 5.84 0.07 0.00 2.47 -1.26 -4.85 114.94 116.29 2ys0 s ASN 11 Ca 0.14 -0.16 -0.22 0.00 0.42 0.00 0.00 52.86 53.04 2ys0 s ASN 11 Cb -0.11 -1.48 -0.08 0.00 -1.45 0.00 0.00 41.25 38.12 2ys0 s ASN 11 CO 0.03 -0.16 1.35 0.11 -3.72 0.00 0.00 177.10 174.71 2ys0 h LYS 12 N 1.25 -0.37 -0.77 0.43 1.79 -1.96 -1.38 116.57 115.55 2ys0 h LYS 12 Ca -0.49 0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.06 2ys0 h LYS 12 Cb 1.24 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.92 2ys0 h LYS 12 CO 0.59 -0.25 0.47 0.35 -1.08 0.00 0.00 179.45 179.53 2ys0 h PHE 13 N -0.39 0.87 -0.58 -1.35 3.57 -1.99 -2.63 116.94 114.44 2ys0 h PHE 13 Ca 0.02 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.65 2ys0 h PHE 13 Cb 0.44 -0.28 -0.11 0.00 2.79 0.00 0.00 35.95 38.79 2ys0 h PHE 13 CO -0.52 0.46 -0.28 0.00 -2.23 0.00 0.00 178.31 175.74 2ys0 h ARG 14 N 0.88 -0.12 -5.63 1.11 2.47 -1.73 -3.40 114.38 107.96 2ys0 h ARG 14 Ca 0.33 0.01 -0.61 0.00 -1.26 0.00 0.00 59.98 58.44 2ys0 h ARG 14 Cb 0.12 0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.43 2ys0 h ARG 14 CO -0.15 -0.08 1.53 0.00 0.56 0.00 0.00 179.97 181.83 2ys0 n GLY 16 N 6.71 0.82 3.94 0.00 0.00 0.73 -5.00 105.19 112.40 2ys0 n GLY 16 Ca 0.52 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.00 2.83 1.10 1.61 -1.05 -0.52 -5.04 118.70 117.62 2ys0 s GLU 17 Ca 0.00 -1.25 -0.14 0.00 -0.15 0.00 0.00 54.97 53.43 2ys0 s GLU 17 Cb 0.00 -2.63 0.24 0.00 -0.44 0.00 0.00 34.13 31.30 2ys0 s GLU 17 CO 0.00 -0.08 1.08 0.15 0.95 0.00 0.00 175.26 177.36 2ys0 s LYS 18 N -4.17 -0.40 -0.21 -4.83 1.02 -1.26 -4.78 119.74 105.11 2ys0 s LYS 18 Ca 0.47 0.41 -0.38 0.00 0.02 0.00 0.00 55.97 56.49 2ys0 s LYS 18 Cb -0.07 -1.65 -0.18 0.00 -0.52 0.00 0.00 37.83 35.41 2ys0 s LYS 18 CO 0.30 -3.26 1.17 0.54 -0.92 0.00 0.00 175.35 173.17 2ys0 n ARG 19 N -4.53 0.00 -1.25 1.68 3.00 -1.26 -4.86 116.66 109.44 2ys0 n ARG 19 Ca 0.06 0.00 -0.32 0.00 -0.01 0.00 0.00 57.85 57.59 2ys0 n ARG 19 Cb 0.57 -1.32 0.10 0.00 0.00 0.00 0.00 32.46 31.81 2ys0 n ARG 19 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 2ys0 s LEU 20 N 1.28 3.10 -0.27 0.55 -0.00 -1.26 -5.04 118.68 117.04 2ys0 s LEU 20 Ca 0.86 2.02 -0.02 0.00 -0.00 0.00 0.00 54.13 56.99 2ys0 s LEU 20 Cb -1.22 -4.55 0.09 0.00 -0.00 0.00 0.00 46.19 40.51 2ys0 s LEU 20 CO 0.61 -2.24 0.08 0.42 -0.00 0.00 0.00 176.35 175.22 2ys0 s THR 21 N -2.60 0.62 -1.36 5.48 -4.23 -1.26 -4.83 115.64 107.45 2ys0 s THR 21 Ca 0.65 -1.02 -0.08 0.00 -1.18 0.00 0.00 61.69 60.07 2ys0 s THR 21 Cb -0.21 -1.35 0.02 0.00 1.34 0.00 0.00 72.50 72.30 2ys0 s THR 21 CO 0.52 -0.52 1.11 0.54 -0.54 0.00 0.00 174.62 175.73 2ys0 n ARG 22 N 4.98 -7.30 -4.24 3.99 1.74 -1.26 -4.98 116.66 109.58 2ys0 n ARG 22 Ca -0.05 0.79 -0.34 0.00 -0.77 0.00 0.00 57.85 57.47 2ys0 n ARG 22 Cb 0.44 -5.80 -0.13 0.00 -1.02 0.00 0.00 32.46 25.95 2ys0 n ARG 22 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2ys0 s SER 23 N -3.51 4.72 0.19 0.55 0.01 -1.26 -5.01 113.70 109.39 2ys0 s SER 23 Ca 0.49 -0.20 -0.20 0.00 1.31 0.00 0.00 55.95 57.36 2ys0 s SER 23 Cb -0.22 -1.79 0.14 0.00 0.21 0.00 0.00 66.02 64.36 2ys0 s SER 23 CO 0.75 0.11 1.58 -0.07 0.41 0.00 0.00 173.24 176.02 2ys0 h LEU 24 N 7.17 -1.16 -9.88 2.44 3.38 -1.94 -3.42 115.31 111.90 2ys0 h LEU 24 Ca -0.34 0.23 -0.57 0.00 0.09 0.00 0.00 57.88 57.30 2ys0 h LEU 24 Cb 1.18 0.58 -0.09 0.00 0.09 0.00 0.00 40.66 42.43 2ys0 h LEU 24 CO 0.61 -0.30 -0.50 0.00 0.09 0.00 0.00 178.44 178.34 2ys0 s ALA 26 N -2.61 2.51 -0.41 0.00 0.00 -0.94 -4.91 121.76 115.39 2ys0 s ALA 26 Ca 0.41 -1.43 -0.02 0.00 0.00 0.00 0.00 51.96 50.92 2ys0 s ALA 26 Cb 0.04 -1.44 0.21 0.00 0.00 0.00 0.00 23.12 21.93 2ys0 s ALA 26 CO 0.22 -0.70 2.21 0.00 0.00 0.00 0.00 175.76 177.50 2ys0 s SER 28 N -0.06 3.48 -0.03 0.00 1.04 -1.26 -0.19 113.70 116.68 2ys0 s SER 28 Ca 0.43 -1.24 -0.02 0.00 0.48 0.00 0.00 55.95 55.60 2ys0 s SER 28 Cb 0.32 -0.31 -0.06 0.00 0.10 0.00 0.00 66.02 66.07 2ys0 s SER 28 CO -0.07 -0.31 2.45 -0.67 0.98 0.00 0.00 173.24 175.62 2ys0 n ASP 29 N -0.78 5.41 0.00 7.02 -0.08 -1.26 -3.28 116.55 123.58 2ys0 n ASP 29 Ca -0.05 -2.48 0.00 0.00 -1.51 0.00 0.00 54.79 50.75 2ys0 n ASP 29 Cb 0.64 -1.21 0.00 0.00 2.34 0.00 0.00 41.12 42.90 2ys0 n ASP 29 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2ys0 n ASP 30 N 1.69 1.59 -0.25 1.67 9.92 -1.26 -4.83 116.55 125.08 2ys0 n ASP 30 Ca 0.14 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.45 2ys0 n ASP 30 Cb 0.62 0.11 0.18 0.00 -0.64 0.00 0.00 41.12 41.39 2ys0 n ASP 30 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ys0 h LYS 32 N 0.35 0.07 -0.03 0.00 6.56 -1.88 0.94 116.57 122.59 2ys0 h LYS 32 Ca 0.41 -0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.99 2ys0 h LYS 32 Cb 0.66 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.31 2ys0 h LYS 32 CO -0.45 0.05 -0.01 0.22 -2.06 0.00 0.00 179.45 177.19 2ys0 h ASP 33 N 0.07 0.06 0.20 0.86 3.58 -1.38 -3.36 116.42 116.45 2ys0 h ASP 33 Ca 0.81 -0.42 -0.01 0.00 0.42 0.00 0.00 57.03 57.83 2ys0 h ASP 33 Cb 2.06 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 43.10 2ys0 h ASP 33 CO -0.74 0.46 -0.10 1.56 -2.88 0.00 0.00 179.24 177.55 2ys0 h GLN 34 N -0.34 -0.26 0.00 0.28 1.08 -0.05 -3.49 115.11 112.33 2ys0 h GLN 34 Ca 0.01 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2ys0 h GLN 34 Cb 0.44 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2ys0 h GLN 34 CO 0.00 -0.17 0.00 0.41 -0.95 0.00 0.00 178.83 178.12 2ys0 n GLY 35 N 0.51 0.93 2.59 3.46 0.00 0.28 -5.07 105.19 107.89 2ys0 n GLY 35 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 2.55 -4.75 1.61 8.00 -1.25 -5.06 116.55 117.64 2ys0 n ASP 36 Ca 0.00 -2.71 -0.39 0.00 0.71 0.00 0.00 54.79 52.41 2ys0 n ASP 36 Cb 0.00 -0.46 -0.06 0.00 -0.02 0.00 0.00 41.12 40.58 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 -0.73 0.38 -1.07 0.00 2.10 -1.96 -2.52 117.51 113.70 2ys0 h ILE 39 Ca -0.43 -0.08 -0.51 0.00 1.08 0.00 0.00 64.86 64.92 2ys0 h ILE 39 Cb 1.34 1.05 -0.42 0.00 -1.09 0.00 0.00 36.82 37.70 2ys0 h ILE 39 CO 0.28 0.01 -0.86 -0.46 -1.08 0.00 0.00 178.15 176.05 2ys0 n ASN 40 N -3.60 4.07 -0.01 2.19 6.94 -1.26 -4.84 115.26 118.76 2ys0 n ASN 40 Ca -0.03 -3.43 -0.11 0.00 -0.02 0.00 0.00 54.58 50.99 2ys0 n ASN 40 Cb 0.10 -0.43 -0.09 0.00 -2.36 0.00 0.00 39.78 37.01 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 2.49 -0.09 -0.13 -2.53 5.03 -1.75 -3.07 116.97 116.92 2ys0 h TYR 41 Ca 0.23 -0.00 -0.16 0.00 2.58 0.00 0.00 58.73 61.38 2ys0 h TYR 41 Cb 1.21 0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.51 2ys0 h TYR 41 CO 0.76 0.49 -0.60 0.66 -1.32 0.00 0.00 178.16 178.15 2ys0 h SER 42 N -0.87 0.48 -0.68 -2.11 4.64 -1.88 0.39 113.55 113.53 2ys0 h SER 42 Ca -0.01 -0.27 0.05 0.00 -0.47 0.00 0.00 61.79 61.08 2ys0 h SER 42 Cb 0.61 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.52 2ys0 h SER 42 CO 0.02 0.97 0.45 -1.28 -0.87 0.00 0.00 176.83 176.11 2ys0 h SER 43 N 0.32 0.66 0.00 4.97 0.87 -1.72 0.67 113.55 119.32 2ys0 h SER 43 Ca -0.00 -0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.27 2ys0 h SER 43 Cb 1.13 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.90 2ys0 h SER 43 CO 0.10 0.44 -1.71 0.52 -0.53 0.00 0.00 176.83 175.66 2ys0 n VAL 44 N -4.47 1.52 -0.26 2.23 0.31 -1.16 -4.48 118.33 112.02 2ys0 n VAL 44 Ca 0.09 -0.14 -0.05 0.00 -0.01 0.00 0.00 64.34 64.23 2ys0 n VAL 44 Cb 0.17 -2.05 0.06 0.00 -0.91 0.00 0.00 33.84 31.11 2ys0 n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ys0 n GLN 46 N -4.58 1.11 -0.54 0.00 1.13 0.23 -5.02 117.38 109.72 2ys0 n GLN 46 Ca 0.06 -1.85 0.00 0.00 -1.94 0.00 0.00 57.00 53.27 2ys0 n GLN 46 Cb 0.02 0.70 0.00 0.00 0.11 0.00 0.00 30.24 31.07 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 1.41 -0.68 3.52 1.08 0.00 -1.24 -4.13 105.19 105.14 2ys0 n GLY 47 Ca -0.08 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.66 3.33 0.31 1.61 -6.30 -1.26 -5.01 118.70 110.73 2ys0 s GLU 48 Ca 0.00 -0.28 -0.02 0.00 -2.50 0.00 0.00 54.97 52.17 2ys0 s GLU 48 Cb 0.00 -3.97 -0.01 0.00 0.00 0.00 0.00 34.13 30.15 2ys0 s GLU 48 CO 0.00 -1.15 0.40 0.15 0.02 0.00 0.00 175.26 174.68 2ys0 s LYS 49 N 3.18 1.76 0.13 4.30 -0.14 -1.26 -5.18 119.74 122.53 2ys0 s LYS 49 Ca 0.26 -1.74 0.10 0.00 -1.36 0.00 0.00 55.97 53.24 2ys0 s LYS 49 Cb -0.13 0.40 -0.04 0.00 -1.68 0.00 0.00 37.83 36.38 2ys0 s LYS 49 CO 0.20 -0.70 -0.24 -1.54 -0.76 0.00 0.00 175.35 172.31 2ys0 s SER 50 N -3.23 3.52 -1.74 2.83 1.04 -1.26 -4.70 113.70 110.16 2ys0 s SER 50 Ca 0.33 -0.69 -0.16 0.00 0.48 0.00 0.00 55.95 55.90 2ys0 s SER 50 Cb 0.01 -0.33 0.16 0.00 0.10 0.00 0.00 66.02 65.95 2ys0 s SER 50 CO 0.19 0.18 0.53 -1.20 0.98 0.00 0.00 173.24 173.92 2ys0 n SER 51 N 0.83 -1.59 0.00 7.02 7.64 -1.26 -4.62 113.62 121.64 2ys0 n SER 51 Ca -0.17 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.54 2ys0 n SER 51 Cb 0.53 -2.02 0.00 0.00 -1.01 0.00 0.00 64.21 61.71 2ys0 n SER 51 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ys0 n GLY 52 N -1.51 0.54 3.56 0.23 0.00 -1.26 -3.64 105.19 103.11 2ys0 n GLY 52 Ca -0.01 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 2ys0 n GLY 52 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ys0 s PRO 53 N 0.00 2.56 -0.15 1.61 0.04 -1.26 -4.65 135.00 133.14 2ys0 s PRO 53 Ca 0.00 -0.30 -0.08 0.00 0.04 0.00 0.00 61.00 60.66 2ys0 s PRO 53 Cb 0.00 -5.06 -0.07 0.00 0.04 0.00 0.00 34.50 29.41 2ys0 s PRO 53 CO 0.00 -3.38 -0.20 -1.13 0.04 0.00 0.00 177.00 172.33 2ys0 n SER 54 N 13.97 1.14 -0.06 6.66 3.41 -1.24 -4.92 113.62 132.59 2ys0 n SER 54 Ca 0.40 0.20 -0.10 0.00 -0.26 0.00 0.00 58.87 59.11 2ys0 n SER 54 Cb 0.47 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 2ys0 n SER 54 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ys0 n SER 55 N -3.73 1.57 -0.39 4.04 2.88 -1.26 -5.24 113.62 111.50 2ys0 n SER 55 Ca -0.30 0.26 0.05 0.00 -1.33 0.00 0.00 58.87 57.55 2ys0 n SER 55 Cb 0.70 -0.59 0.04 0.00 -0.75 0.00 0.00 64.21 63.60 2ys0 n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42