#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 0.01 -0.30 1.61 1.04 -1.26 -5.14 113.70 109.66 2ys2 s SER 2 Ca 0.00 -0.98 0.03 0.00 0.48 0.00 0.00 55.95 55.49 2ys2 s SER 2 Cb 0.00 0.63 0.08 0.00 0.10 0.00 0.00 66.02 66.83 2ys2 s SER 2 CO 0.00 -1.21 -0.02 -0.94 0.98 0.00 0.00 173.24 172.04 2ys2 s SER 3 N -3.04 4.60 -0.06 7.02 1.04 -1.26 -5.08 113.70 116.92 2ys2 s SER 3 Ca 0.22 -1.79 -0.03 0.00 0.48 0.00 0.00 55.95 54.83 2ys2 s SER 3 Cb -0.01 -1.57 0.04 0.00 0.10 0.00 0.00 66.02 64.57 2ys2 s SER 3 CO 0.10 -0.29 0.13 -0.83 0.98 0.00 0.00 173.24 173.33 2ys2 s GLY 4 N 1.01 0.06 -0.27 7.32 0.00 -1.26 -5.03 107.32 109.15 2ys2 s GLY 4 Ca 0.02 0.51 -0.02 0.00 0.00 0.00 0.00 44.72 45.23 2ys2 s GLY 4 CO -0.07 1.32 2.24 -1.14 0.00 0.00 0.00 173.10 175.44 2ys2 n SER 5 N 4.85 6.23 -4.36 1.64 3.41 -1.26 -4.80 113.62 119.33 2ys2 n SER 5 Ca -0.14 -2.95 -0.38 0.00 -0.26 0.00 0.00 58.87 55.14 2ys2 n SER 5 Cb 0.50 -1.12 -0.08 0.00 -0.26 0.00 0.00 64.21 63.25 2ys2 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ys2 n SER 6 N 0.74 -1.18 0.00 4.04 7.64 -1.26 -4.32 113.62 119.28 2ys2 n SER 6 Ca 0.29 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.98 2ys2 n SER 6 Cb 0.58 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 2ys2 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ys2 n GLY 7 N -1.34 0.34 3.23 0.23 0.00 -1.26 -5.10 105.19 101.29 2ys2 n GLY 7 Ca 0.02 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.14 0.31 1.61 4.22 -1.26 -5.05 114.94 110.63 2ys2 s ASN 8 Ca 0.00 -0.06 0.09 0.00 -2.14 0.00 0.00 52.86 50.76 2ys2 s ASN 8 Cb 0.00 0.32 0.49 0.00 1.28 0.00 0.00 41.25 43.34 2ys2 s ASN 8 CO 0.00 -0.51 1.70 1.55 -2.04 0.00 0.00 177.10 177.80 2ys2 h PRO 9 N 3.64 0.09 -4.11 3.55 0.13 -1.99 -3.46 132.00 129.85 2ys2 h PRO 9 Ca -0.31 -0.05 -0.22 0.00 -0.87 0.00 0.00 66.00 64.56 2ys2 h PRO 9 Cb 1.19 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 2ys2 h PRO 9 CO 0.43 0.55 -0.26 -3.38 -0.23 0.00 0.00 178.00 175.11 2ys2 s HIS 10 N -3.97 0.93 -0.28 1.56 -3.43 -1.26 -5.18 115.29 103.66 2ys2 s HIS 10 Ca -0.03 -1.17 -0.23 0.00 -0.80 0.00 0.00 55.06 52.82 2ys2 s HIS 10 Cb 0.13 -0.12 0.11 0.00 -1.43 0.00 0.00 32.58 31.27 2ys2 s HIS 10 CO 0.76 -1.00 0.92 -1.17 -2.00 0.00 0.00 174.74 172.25 2ys2 s LEU 11 N -3.17 -0.57 -1.34 5.38 2.96 -1.26 -4.96 118.68 115.72 2ys2 s LEU 11 Ca 0.30 1.06 -0.07 0.00 -0.22 0.00 0.00 54.13 55.21 2ys2 s LEU 11 Cb 0.01 2.06 0.02 0.00 0.50 0.00 0.00 46.19 48.77 2ys2 s LEU 11 CO 0.16 -0.18 1.10 0.18 -1.32 0.00 0.00 176.35 176.29 2ys2 n LEU 12 N 2.64 -3.46 -2.48 -0.68 4.77 -1.26 -4.92 117.00 111.60 2ys2 n LEU 12 Ca -0.14 -0.60 -0.17 0.00 -0.03 0.00 0.00 56.01 55.07 2ys2 n LEU 12 Cb 0.56 -2.99 0.02 0.00 -2.33 0.00 0.00 43.42 38.68 2ys2 n LEU 12 CO 0.02 0.56 0.07 0.52 -1.33 0.00 0.00 177.39 177.23 2ys2 n VAL 13 N -4.72 1.85 -4.41 4.08 0.31 -1.26 -5.05 118.33 109.13 2ys2 n VAL 13 Ca -0.08 -3.90 -0.29 0.00 -0.01 0.00 0.00 64.34 60.06 2ys2 n VAL 13 Cb 0.59 -0.26 -0.07 0.00 -0.91 0.00 0.00 33.84 33.20 2ys2 n VAL 13 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2ys2 s LYS 14 N -3.50 2.17 0.42 5.55 1.02 -1.26 -5.05 119.74 119.10 2ys2 s LYS 14 Ca 0.39 -2.14 0.03 0.00 0.02 0.00 0.00 55.97 54.28 2ys2 s LYS 14 Cb 0.40 -1.77 -0.02 0.00 -0.52 0.00 0.00 37.83 35.92 2ys2 s LYS 14 CO -0.05 -0.30 0.11 1.52 -0.92 0.00 0.00 175.35 175.71 2ys2 s TYR 15 N -2.76 1.81 -0.11 3.18 1.13 -1.26 -4.17 117.35 115.17 2ys2 s TYR 15 Ca 0.25 -1.22 0.03 0.00 -1.41 0.00 0.00 57.07 54.72 2ys2 s TYR 15 Cb 0.03 -1.23 0.00 0.00 -1.10 0.00 0.00 41.96 39.66 2ys2 s TYR 15 CO 0.14 -0.21 -0.23 -1.01 -2.51 0.00 0.00 175.55 171.73 2ys2 s HIS 16 N -3.16 2.52 -0.15 -3.49 3.76 -1.26 -2.62 115.29 110.89 2ys2 s HIS 16 Ca 0.22 -1.10 -0.00 0.00 -0.15 0.00 0.00 55.06 54.03 2ys2 s HIS 16 Cb 0.03 -1.70 0.13 0.00 1.11 0.00 0.00 32.58 32.15 2ys2 s HIS 16 CO 0.13 -0.46 1.76 -1.13 -0.85 0.00 0.00 174.74 174.18 2ys2 n SER 17 N 3.68 5.05 0.00 1.40 3.41 -1.26 -4.84 113.62 121.07 2ys2 n SER 17 Ca -0.19 -2.65 0.00 0.00 -0.26 0.00 0.00 58.87 55.77 2ys2 n SER 17 Cb 0.53 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 2ys2 n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ys2 n GLY 18 N 0.62 2.16 2.58 5.00 0.00 -1.26 -4.56 105.19 109.73 2ys2 n GLY 18 Ca 0.16 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 2ys2 n GLY 18 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ys2 n PHE 19 N 0.00 -0.26 -3.98 1.61 3.01 -1.26 -4.90 117.46 111.68 2ys2 n PHE 19 Ca 0.00 -2.13 -0.32 0.00 1.01 0.00 0.00 57.45 56.01 2ys2 n PHE 19 Cb 0.00 0.11 -0.14 0.00 -0.01 0.00 0.00 39.48 39.44 2ys2 n PHE 19 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 2ys2 s PHE 20 N -2.91 3.72 -0.02 1.38 2.19 -1.26 -1.31 117.98 119.77 2ys2 s PHE 20 Ca 0.24 -2.87 0.05 0.00 0.33 0.00 0.00 56.93 54.67 2ys2 s PHE 20 Cb 0.01 -2.94 -0.01 0.00 -1.31 0.00 0.00 43.02 38.78 2ys2 s PHE 20 CO 0.17 -0.95 -0.16 0.08 1.83 0.00 0.00 175.22 176.19 2ys2 s VAL 21 N 0.95 1.25 -0.67 3.12 1.01 0.73 -4.77 120.40 122.02 2ys2 s VAL 21 Ca 0.10 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 2ys2 s VAL 21 Cb -0.20 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.14 2ys2 s VAL 21 CO -0.07 0.36 0.57 -0.67 0.00 0.00 0.00 175.10 175.28 2ys2 n ASP 22 N 2.81 -4.14 -3.49 3.32 2.03 -1.26 -3.14 116.55 112.69 2ys2 n ASP 22 Ca -0.15 -0.26 -0.25 0.00 0.52 0.00 0.00 54.79 54.65 2ys2 n ASP 22 Cb 0.54 -2.72 0.06 0.00 -0.72 0.00 0.00 41.12 38.28 2ys2 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ys2 n GLY 23 N -1.24 -0.53 3.59 0.27 0.00 -1.26 -4.96 105.19 101.06 2ys2 n GLY 23 Ca 0.00 0.21 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 2ys2 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ys2 s LYS 24 N -6.20 0.39 0.70 1.61 -2.85 -1.19 -5.01 119.74 107.19 2ys2 s LYS 24 Ca 0.52 -0.05 -0.11 0.00 -1.00 0.00 0.00 55.97 55.33 2ys2 s LYS 24 Cb -0.24 0.18 0.02 0.00 -2.06 0.00 0.00 37.83 35.73 2ys2 s LYS 24 CO 0.65 -0.15 1.08 -0.06 0.10 0.00 0.00 175.35 176.97 2ys2 s PHE 25 N -1.92 3.30 -0.15 1.78 0.08 -1.26 -0.19 117.98 119.61 2ys2 s PHE 25 Ca 0.06 0.99 0.04 0.00 0.12 0.00 0.00 56.93 58.14 2ys2 s PHE 25 Cb -0.01 -3.06 -0.12 0.00 -0.57 0.00 0.00 43.02 39.26 2ys2 s PHE 25 CO -0.04 -1.17 -0.09 1.28 -0.10 0.00 0.00 175.22 175.09 2ys2 n LEU 26 N -2.98 2.07 0.20 -0.37 7.99 -0.42 -3.22 117.00 120.26 2ys2 n LEU 26 Ca 0.07 -0.06 -0.14 0.00 -0.01 0.00 0.00 56.01 55.87 2ys2 n LEU 26 Cb 0.57 -0.30 -0.08 0.00 -0.11 0.00 0.00 43.42 43.50 2ys2 n LEU 26 CO 0.57 0.64 0.56 0.00 -1.51 0.00 0.00 177.39 177.64 2ys2 n GLN 29 N -2.88 -5.73 -1.77 0.00 6.02 -1.20 -5.01 117.38 106.81 2ys2 n GLN 29 Ca -0.33 0.67 -0.30 0.00 -0.01 0.00 0.00 57.00 57.03 2ys2 n GLN 29 Cb 0.98 -5.19 0.22 0.00 1.02 0.00 0.00 30.24 27.26 2ys2 n GLN 29 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2ys2 n GLN 30 N -3.74 -1.68 -0.09 -1.09 6.02 -1.26 -4.80 117.38 110.74 2ys2 n GLN 30 Ca -0.13 -2.04 -0.17 0.00 -0.01 0.00 0.00 57.00 54.65 2ys2 n GLN 30 Cb 0.60 -1.45 -0.11 0.00 1.02 0.00 0.00 30.24 30.30 2ys2 n GLN 30 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 2ys2 h SER 31 N -1.97 0.00 -3.73 1.08 0.02 -1.96 -3.39 113.55 103.60 2ys2 h SER 31 Ca -0.44 -0.68 -0.53 0.00 -0.84 0.00 0.00 61.79 59.31 2ys2 h SER 31 Cb 1.22 0.00 0.21 0.00 0.14 0.00 0.00 62.40 63.97 2ys2 h SER 31 CO 0.30 1.24 -0.27 0.00 -1.14 0.00 0.00 176.83 176.96 2ys2 n LYS 33 N -2.62 0.70 -1.09 0.00 4.81 -1.26 -4.33 118.16 114.37 2ys2 n LYS 33 Ca 0.09 0.20 -0.15 0.00 -0.87 0.00 0.00 58.31 57.58 2ys2 n LYS 33 Cb 0.53 -1.64 0.17 0.00 0.02 0.00 0.00 35.03 34.10 2ys2 n LYS 33 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ys2 n ALA 34 N -2.99 4.98 -1.54 3.14 0.00 -1.26 -5.01 120.51 117.83 2ys2 n ALA 34 Ca -0.34 -3.18 -0.39 0.00 0.00 0.00 0.00 53.44 49.53 2ys2 n ALA 34 Cb 1.04 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 19.51 2ys2 n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ys2 n ALA 35 N -1.08 -0.49 -1.77 0.00 0.00 -1.26 -4.92 120.51 110.99 2ys2 n ALA 35 Ca 0.45 0.06 -0.38 0.00 0.00 0.00 0.00 53.44 53.57 2ys2 n ALA 35 Cb 1.16 -1.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 2ys2 n ALA 35 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ys2 s PRO 36 N -2.22 3.87 -0.37 0.00 0.04 -1.26 -4.83 135.00 130.23 2ys2 s PRO 36 Ca 0.69 1.82 -0.34 0.00 0.04 0.00 0.00 61.00 63.21 2ys2 s PRO 36 Cb -0.48 -2.52 -0.14 0.00 0.04 0.00 0.00 34.50 31.40 2ys2 s PRO 36 CO 0.53 -0.47 1.43 0.41 0.04 0.00 0.00 177.00 178.94 2ys2 n GLY 37 N 0.52 -0.01 0.34 0.56 0.00 -1.25 -4.77 105.19 100.58 2ys2 n GLY 37 Ca 0.06 0.80 0.01 0.00 0.00 0.00 0.00 46.02 46.89 2ys2 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ys2 n THR 39 N -4.58 -0.02 -4.21 0.00 -2.24 -1.23 -4.92 114.28 97.08 2ys2 n THR 39 Ca 0.13 -0.75 -0.17 0.00 -2.27 0.00 0.00 64.05 61.00 2ys2 n THR 39 Cb 0.18 -2.78 -0.13 0.00 -2.10 0.00 0.00 70.33 65.50 2ys2 n THR 39 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2ys2 s LEU 40 N 11.65 2.15 0.15 3.22 2.96 -1.26 -4.55 118.68 133.00 2ys2 s LEU 40 Ca 0.99 -0.38 -0.27 0.00 -0.22 0.00 0.00 54.13 54.24 2ys2 s LEU 40 Cb -0.20 -0.37 -0.02 0.00 0.50 0.00 0.00 46.19 46.11 2ys2 s LEU 40 CO 0.28 -0.03 1.58 -0.50 -1.32 0.00 0.00 176.35 176.35 2ys2 h TRP 41 N 5.10 -1.22 -0.32 5.38 4.06 -1.98 -3.41 115.95 123.56 2ys2 h TRP 41 Ca -0.34 0.06 -0.60 0.00 2.06 0.00 0.00 58.89 60.07 2ys2 h TRP 41 Cb 1.19 0.58 -0.01 0.00 -1.00 0.00 0.00 29.16 29.92 2ys2 h TRP 41 CO 0.53 -0.45 0.77 0.39 -3.56 0.00 0.00 178.44 176.12 2ys2 n GLU 42 N -5.42 0.00 -3.89 0.49 -0.58 -1.26 -4.88 120.64 105.10 2ys2 n GLU 42 Ca -0.02 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.64 2ys2 n GLU 42 Cb 0.35 -1.10 -0.04 0.00 -0.57 0.00 0.00 31.44 30.08 2ys2 n GLU 42 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ys2 s ALA 43 N 3.43 -0.68 0.51 0.62 0.00 -1.26 -5.15 121.76 119.23 2ys2 s ALA 43 Ca 0.83 -0.55 -0.04 0.00 0.00 0.00 0.00 51.96 52.20 2ys2 s ALA 43 Cb -1.10 0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 2ys2 s ALA 43 CO 0.53 -0.89 0.79 1.52 0.00 0.00 0.00 175.76 177.72 2ys2 s TYR 44 N -3.95 3.34 -0.70 0.00 1.13 -1.26 -5.04 117.35 110.86 2ys2 s TYR 44 Ca 0.16 0.56 -0.16 0.00 -1.41 0.00 0.00 57.07 56.22 2ys2 s TYR 44 Cb -0.02 -2.47 0.16 0.00 -1.10 0.00 0.00 41.96 38.53 2ys2 s TYR 44 CO 0.05 -0.51 0.72 -1.54 -2.51 0.00 0.00 175.55 171.76 2ys2 s SER 45 N -4.22 6.45 0.00 -0.18 1.04 -1.26 -5.03 113.70 110.50 2ys2 s SER 45 Ca 0.50 -2.07 0.00 0.00 0.48 0.00 0.00 55.95 54.86 2ys2 s SER 45 Cb -0.10 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2ys2 s SER 45 CO 0.43 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.42 2ys2 n GLY 46 N 4.81 0.72 3.57 7.32 0.00 -1.26 -4.93 105.19 115.42 2ys2 n GLY 46 Ca 0.02 -1.81 -0.27 0.00 0.00 0.00 0.00 46.02 43.96 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 1.58 2.53 -0.03 1.61 0.04 -1.26 -4.78 135.00 134.68 2ys2 s PRO 47 Ca 0.00 -0.60 -0.25 0.00 0.04 0.00 0.00 61.00 60.19 2ys2 s PRO 47 Cb 0.00 -5.13 -0.19 0.00 0.04 0.00 0.00 34.50 29.22 2ys2 s PRO 47 CO 0.00 -3.59 1.13 1.03 0.04 0.00 0.00 177.00 175.61 2ys2 h SER 48 N 10.74 -0.09 -2.62 6.66 0.87 -2.01 -3.42 113.55 123.68 2ys2 h SER 48 Ca 0.14 -0.45 -0.55 0.00 -1.23 0.00 0.00 61.79 59.70 2ys2 h SER 48 Cb 0.98 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 2ys2 h SER 48 CO 1.21 0.44 1.09 -0.44 -0.53 0.00 0.00 176.83 178.60 2ys2 s SER 49 N -5.60 6.67 0.00 6.23 0.01 -1.26 -5.32 113.70 114.43 2ys2 s SER 49 Ca -0.15 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.32 2ys2 s SER 49 Cb 0.01 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2ys2 s SER 49 CO 0.61 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.94