#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ys2 s SER 2 N 0.00 3.63 -0.42 1.61 0.01 -1.26 -5.06 113.70 112.22 2ys2 s SER 2 Ca 0.00 -1.48 -0.44 0.00 1.31 0.00 0.00 55.95 55.34 2ys2 s SER 2 Cb 0.00 0.01 -0.18 0.00 0.21 0.00 0.00 66.02 66.06 2ys2 s SER 2 CO 0.00 -0.64 1.75 -1.20 0.41 0.00 0.00 173.24 173.56 2ys2 n SER 3 N -1.04 1.62 -4.66 2.44 7.64 -1.26 -4.91 113.62 113.44 2ys2 n SER 3 Ca -0.09 1.04 -0.35 0.00 1.01 0.00 0.00 58.87 60.49 2ys2 n SER 3 Cb 0.67 -0.99 -0.09 0.00 -1.01 0.00 0.00 64.21 62.78 2ys2 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ys2 s GLY 4 N 3.82 1.92 -0.38 0.23 0.00 -1.26 -5.07 107.32 106.59 2ys2 s GLY 4 Ca 1.05 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 45.02 2ys2 s GLY 4 CO 0.73 -0.03 0.15 -0.45 0.00 0.00 0.00 173.10 173.49 2ys2 s SER 5 N 0.15 5.11 -0.04 1.64 0.15 -1.26 -4.97 113.70 114.47 2ys2 s SER 5 Ca 0.05 -1.98 -0.21 0.00 0.70 0.00 0.00 55.95 54.50 2ys2 s SER 5 Cb -0.12 -1.77 -0.16 0.00 -1.71 0.00 0.00 66.02 62.26 2ys2 s SER 5 CO 0.00 -0.48 0.92 0.77 1.20 0.00 0.00 173.24 175.66 2ys2 h SER 6 N 7.94 -0.22 0.00 5.45 4.64 -2.04 -3.49 113.55 125.84 2ys2 h SER 6 Ca -0.12 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2ys2 h SER 6 Cb 1.04 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2ys2 h SER 6 CO 0.64 0.30 0.00 0.61 -0.87 0.00 0.00 176.83 177.51 2ys2 n GLY 7 N 0.44 0.80 3.77 -0.77 0.00 -1.26 -4.99 105.19 103.19 2ys2 n GLY 7 Ca -0.08 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 2ys2 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ys2 s ASN 8 N -4.00 6.75 0.26 1.61 2.20 -1.26 -5.00 114.94 115.50 2ys2 s ASN 8 Ca 0.00 2.21 -0.30 0.00 -0.94 0.00 0.00 52.86 53.84 2ys2 s ASN 8 Cb 0.00 -2.61 -0.09 0.00 -2.00 0.00 0.00 41.25 36.55 2ys2 s ASN 8 CO 0.00 -0.50 1.26 -2.16 -2.94 0.00 0.00 177.10 172.76 2ys2 s PRO 9 N -2.21 4.43 -0.24 3.55 0.04 -1.26 -4.97 135.00 134.34 2ys2 s PRO 9 Ca 0.55 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.35 2ys2 s PRO 9 Cb -0.28 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.10 2ys2 s PRO 9 CO 0.35 -0.14 1.36 -1.01 0.04 0.00 0.00 177.00 177.60 2ys2 s HIS 10 N -0.56 2.61 0.00 0.56 3.76 -1.26 -4.83 115.29 115.57 2ys2 s HIS 10 Ca 0.52 0.83 0.00 0.00 -0.15 0.00 0.00 55.06 56.25 2ys2 s HIS 10 Cb -0.37 -3.80 0.00 0.00 1.11 0.00 0.00 32.58 29.52 2ys2 s HIS 10 CO 0.44 -2.00 0.00 -0.11 -0.85 0.00 0.00 174.74 172.21 2ys2 n LEU 11 N 7.44 1.48 -4.35 0.89 7.94 -1.26 -4.94 117.00 124.20 2ys2 n LEU 11 Ca 0.15 0.00 -0.46 0.00 -1.11 0.00 0.00 56.01 54.60 2ys2 n LEU 11 Cb 0.46 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.37 2ys2 n LEU 11 CO 0.61 0.25 0.41 -0.22 -1.11 0.00 0.00 177.39 177.33 2ys2 s LEU 12 N -5.50 5.97 -0.23 -1.96 2.96 -1.26 -4.99 118.68 113.68 2ys2 s LEU 12 Ca 0.00 -1.98 -0.11 0.00 -0.22 0.00 0.00 54.13 51.82 2ys2 s LEU 12 Cb 0.00 -2.26 0.08 0.00 0.50 0.00 0.00 46.19 44.51 2ys2 s LEU 12 CO 0.00 -0.88 0.54 0.54 -1.32 0.00 0.00 176.35 175.22 2ys2 s VAL 13 N 1.64 -0.25 0.39 1.68 0.11 -1.26 -5.14 120.40 117.57 2ys2 s VAL 13 Ca 0.14 0.06 -0.23 0.00 -2.93 0.00 0.00 61.98 59.02 2ys2 s VAL 13 Cb -0.19 -0.80 -0.14 0.00 -1.53 0.00 0.00 36.38 33.72 2ys2 s VAL 13 CO -0.01 0.03 0.48 0.29 -3.33 0.00 0.00 175.10 172.56 2ys2 n LYS 14 N 4.63 0.45 -4.57 1.54 5.02 -1.26 -4.99 118.16 118.98 2ys2 n LYS 14 Ca -0.18 0.16 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 2ys2 n LYS 14 Cb 0.55 -1.38 -0.09 0.00 -0.02 0.00 0.00 35.03 34.09 2ys2 n LYS 14 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2ys2 s TYR 15 N -1.44 2.24 -0.18 2.13 -0.85 -1.13 -4.09 117.35 114.03 2ys2 s TYR 15 Ca 0.62 -0.78 0.01 0.00 -0.52 0.00 0.00 57.07 56.40 2ys2 s TYR 15 Cb -0.65 -1.75 0.01 0.00 0.38 0.00 0.00 41.96 39.96 2ys2 s TYR 15 CO 0.59 0.28 -0.18 -1.01 -1.52 0.00 0.00 175.55 173.71 2ys2 s HIS 16 N -2.76 2.79 -0.11 -3.49 3.76 -1.26 -2.68 115.29 111.53 2ys2 s HIS 16 Ca 0.25 -1.49 -0.02 0.00 -0.15 0.00 0.00 55.06 53.64 2ys2 s HIS 16 Cb 0.05 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.80 2ys2 s HIS 16 CO 0.13 -0.74 2.50 0.45 -0.85 0.00 0.00 174.74 176.24 2ys2 n SER 17 N 4.54 5.67 -0.02 1.40 2.88 -1.26 -4.82 113.62 122.01 2ys2 n SER 17 Ca -0.20 -2.64 0.00 0.00 -1.33 0.00 0.00 58.87 54.69 2ys2 n SER 17 Cb 0.50 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 2ys2 n SER 17 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ys2 n GLY 18 N 1.46 1.66 3.35 0.46 0.00 -1.26 -4.61 105.19 106.24 2ys2 n GLY 18 Ca 0.22 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 2ys2 n GLY 18 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ys2 s PHE 19 N -2.46 1.64 -0.47 1.61 0.08 -1.26 -4.92 117.98 112.20 2ys2 s PHE 19 Ca 0.00 -1.08 -0.13 0.00 0.12 0.00 0.00 56.93 55.85 2ys2 s PHE 19 Cb 0.00 -1.00 0.09 0.00 -0.57 0.00 0.00 43.02 41.55 2ys2 s PHE 19 CO 0.00 -0.20 0.37 0.12 -0.10 0.00 0.00 175.22 175.41 2ys2 s PHE 20 N -3.58 3.30 0.04 0.36 5.36 -1.26 -1.79 117.98 120.42 2ys2 s PHE 20 Ca 0.36 -1.35 0.06 0.00 -0.96 0.00 0.00 56.93 55.04 2ys2 s PHE 20 Cb 0.08 -3.30 -0.02 0.00 -0.34 0.00 0.00 43.02 39.43 2ys2 s PHE 20 CO 0.13 -0.89 -0.18 0.08 -1.46 0.00 0.00 175.22 172.90 2ys2 s VAL 21 N 1.52 1.43 -1.13 3.12 1.01 0.17 -4.78 120.40 121.73 2ys2 s VAL 21 Ca 0.04 -1.10 -0.04 0.00 0.00 0.00 0.00 61.98 60.88 2ys2 s VAL 21 Cb -0.25 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.87 2ys2 s VAL 21 CO 0.03 0.13 0.97 0.47 0.00 0.00 0.00 175.10 176.71 2ys2 n ASP 22 N 1.91 -4.15 -3.84 3.32 9.92 -1.26 -2.51 116.55 119.93 2ys2 n ASP 22 Ca -0.17 -0.51 -0.29 0.00 -0.53 0.00 0.00 54.79 53.29 2ys2 n ASP 22 Cb 0.54 -4.53 0.03 0.00 -0.64 0.00 0.00 41.12 36.52 2ys2 n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ys2 n GLY 23 N -1.51 -0.51 3.59 0.44 0.00 -1.26 -4.93 105.19 101.00 2ys2 n GLY 23 Ca -0.11 0.20 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 2ys2 n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ys2 s LYS 24 N -6.55 0.42 0.86 1.61 2.20 -1.04 -4.99 119.74 112.24 2ys2 s LYS 24 Ca 0.65 -0.17 -0.13 0.00 -0.36 0.00 0.00 55.97 55.96 2ys2 s LYS 24 Cb -0.32 0.18 0.12 0.00 -1.51 0.00 0.00 37.83 36.31 2ys2 s LYS 24 CO 0.80 -0.19 1.22 -0.06 -0.36 0.00 0.00 175.35 176.77 2ys2 s PHE 25 N -2.55 2.49 0.00 4.03 0.08 -1.25 0.41 117.98 121.20 2ys2 s PHE 25 Ca 0.09 0.60 0.00 0.00 0.12 0.00 0.00 56.93 57.74 2ys2 s PHE 25 Cb -0.00 -3.70 0.00 0.00 -0.57 0.00 0.00 43.02 38.75 2ys2 s PHE 25 CO -0.05 -2.06 0.00 1.28 -0.10 0.00 0.00 175.22 174.29 2ys2 n LEU 26 N -3.46 0.00 0.06 -0.37 4.77 -0.74 -3.78 117.00 113.48 2ys2 n LEU 26 Ca 0.10 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.92 2ys2 n LEU 26 Cb 0.60 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.55 2ys2 n LEU 26 CO 0.53 0.00 -0.34 0.00 -1.33 0.00 0.00 177.39 176.25 2ys2 n GLN 29 N -1.28 -6.79 -2.58 0.00 1.13 -1.25 -4.97 117.38 101.64 2ys2 n GLN 29 Ca 0.00 0.71 -0.38 0.00 -1.94 0.00 0.00 57.00 55.39 2ys2 n GLN 29 Cb 0.08 -5.39 -0.05 0.00 0.11 0.00 0.00 30.24 25.00 2ys2 n GLN 29 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2ys2 s GLN 30 N -6.10 4.44 -0.01 -1.09 -1.52 -1.26 -4.77 119.66 109.35 2ys2 s GLN 30 Ca 0.49 1.57 -0.24 0.00 -1.95 0.00 0.00 55.36 55.23 2ys2 s GLN 30 Cb -0.22 -2.85 -0.17 0.00 -0.22 0.00 0.00 33.01 29.55 2ys2 s GLN 30 CO 0.62 0.10 1.19 0.66 -0.25 0.00 0.00 175.29 177.61 2ys2 h SER 31 N 3.17 -0.19 -4.11 5.90 4.64 -1.94 -3.32 113.55 117.69 2ys2 h SER 31 Ca -0.47 -0.30 -0.55 0.00 -0.47 0.00 0.00 61.79 60.00 2ys2 h SER 31 Cb 1.21 0.05 0.17 0.00 -0.31 0.00 0.00 62.40 63.52 2ys2 h SER 31 CO 0.65 0.23 0.37 0.00 -0.87 0.00 0.00 176.83 177.21 2ys2 h LYS 33 N -0.32 0.00 -1.94 0.00 3.64 -1.96 -3.38 116.57 112.61 2ys2 h LYS 33 Ca -0.48 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.81 2ys2 h LYS 33 Cb 1.32 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.10 2ys2 h LYS 33 CO 0.48 0.17 -0.01 0.00 -2.27 0.00 0.00 179.45 177.83 2ys2 n ALA 34 N -3.49 4.67 -1.80 5.00 0.00 -1.26 -4.92 120.51 118.72 2ys2 n ALA 34 Ca -0.10 -0.66 -0.33 0.00 0.00 0.00 0.00 53.44 52.35 2ys2 n ALA 34 Cb 0.30 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.38 2ys2 n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ys2 s ALA 35 N -0.10 2.97 0.09 0.00 0.00 -1.26 -5.00 121.76 118.45 2ys2 s ALA 35 Ca 0.19 0.37 -0.31 0.00 0.00 0.00 0.00 51.96 52.21 2ys2 s ALA 35 Cb 0.10 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 19.98 2ys2 s ALA 35 CO -0.01 -0.22 1.38 -1.25 0.00 0.00 0.00 175.76 175.66 2ys2 s PRO 36 N -3.62 4.32 -0.10 0.00 0.04 -1.26 -4.89 135.00 129.50 2ys2 s PRO 36 Ca 0.62 2.03 -0.33 0.00 0.04 0.00 0.00 61.00 63.37 2ys2 s PRO 36 Cb -0.12 -3.32 -0.16 0.00 0.04 0.00 0.00 34.50 30.95 2ys2 s PRO 36 CO 0.24 -0.45 0.94 0.41 0.04 0.00 0.00 177.00 178.18 2ys2 n GLY 37 N 3.50 -0.13 0.17 0.56 0.00 -1.26 -4.83 105.19 103.21 2ys2 n GLY 37 Ca 0.12 0.64 -0.09 0.00 0.00 0.00 0.00 46.02 46.68 2ys2 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ys2 s THR 39 N -5.67 3.94 0.14 0.00 -4.23 -1.09 -4.98 115.64 103.75 2ys2 s THR 39 Ca -0.13 1.18 0.07 0.00 -1.18 0.00 0.00 61.69 61.63 2ys2 s THR 39 Cb 0.10 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 2ys2 s THR 39 CO 0.74 -0.08 -0.03 -0.22 -0.54 0.00 0.00 174.62 174.49 2ys2 s LEU 40 N 3.44 3.26 0.00 4.79 0.20 -1.26 -2.83 118.68 126.28 2ys2 s LEU 40 Ca 0.63 -0.36 0.00 0.00 0.69 0.00 0.00 54.13 55.09 2ys2 s LEU 40 Cb -0.27 -1.96 0.00 0.00 -0.43 0.00 0.00 46.19 43.52 2ys2 s LEU 40 CO 0.22 0.13 0.81 1.87 -0.29 0.00 0.00 176.35 179.09 2ys2 n TRP 41 N 0.21 0.00 -1.16 5.38 -0.00 -1.26 -4.48 117.44 116.13 2ys2 n TRP 41 Ca -0.11 0.00 -0.45 0.00 -0.00 0.00 0.00 57.50 56.94 2ys2 n TRP 41 Cb 0.54 -0.40 -0.06 0.00 -0.00 0.00 0.00 31.31 31.39 2ys2 n TRP 41 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 2ys2 n GLU 42 N -2.77 0.00 -1.57 5.87 -0.58 -1.26 -4.92 120.64 115.41 2ys2 n GLU 42 Ca 0.00 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.49 2ys2 n GLU 42 Cb 0.00 -1.13 0.17 0.00 -0.57 0.00 0.00 31.44 29.91 2ys2 n GLU 42 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ys2 n ALA 43 N 1.06 -1.33 -3.03 0.62 0.00 -1.26 -5.11 120.51 111.45 2ys2 n ALA 43 Ca 0.15 -1.45 -0.09 0.00 0.00 0.00 0.00 53.44 52.05 2ys2 n ALA 43 Cb 0.07 -0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2ys2 n ALA 43 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2ys2 s TYR 44 N -3.41 0.30 0.08 0.00 5.04 -1.26 -5.07 117.35 113.03 2ys2 s TYR 44 Ca 0.63 -0.66 -0.30 0.00 -2.44 0.00 0.00 57.07 54.30 2ys2 s TYR 44 Cb -0.02 0.13 -0.17 0.00 0.35 0.00 0.00 41.96 42.26 2ys2 s TYR 44 CO 0.44 -0.88 1.65 0.77 -1.34 0.00 0.00 175.55 176.19 2ys2 h SER 45 N 2.34 -0.63 0.00 4.32 0.02 -2.06 -3.45 113.55 114.08 2ys2 h SER 45 Ca -0.29 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2ys2 h SER 45 Cb 1.25 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2ys2 h SER 45 CO 0.40 -0.42 0.00 0.61 -1.14 0.00 0.00 176.83 176.28 2ys2 n GLY 46 N -1.39 -1.50 3.68 -3.77 0.00 -1.26 -5.14 105.19 95.81 2ys2 n GLY 46 Ca -0.11 0.81 -0.42 0.00 0.00 0.00 0.00 46.02 46.29 2ys2 n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ys2 s PRO 47 N 0.00 4.24 0.05 1.61 0.04 -1.26 -4.92 135.00 134.76 2ys2 s PRO 47 Ca 0.00 2.02 -0.37 0.00 0.04 0.00 0.00 61.00 62.69 2ys2 s PRO 47 Cb 0.00 -3.70 -0.19 0.00 0.04 0.00 0.00 34.50 30.64 2ys2 s PRO 47 CO 0.00 -0.68 0.96 0.45 0.04 0.00 0.00 177.00 177.77 2ys2 n SER 48 N 6.00 -0.24 -4.71 6.66 2.88 -1.26 -4.95 113.62 118.00 2ys2 n SER 48 Ca 0.15 1.15 -0.24 0.00 -1.33 0.00 0.00 58.87 58.60 2ys2 n SER 48 Cb 0.43 -0.93 -0.07 0.00 -0.75 0.00 0.00 64.21 62.89 2ys2 n SER 48 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ys2 s SER 49 N -0.20 4.95 0.00 -3.46 0.15 -1.26 -5.20 113.70 108.67 2ys2 s SER 49 Ca 0.85 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.08 2ys2 s SER 49 Cb -1.19 -1.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2ys2 s SER 49 CO 0.57 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.64