#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ys2 n SER 2 N 0.00 1.06 -3.69 1.61 2.88 -1.26 -5.04 113.62 109.19 2ys2 n SER 2 Ca 0.00 0.01 -0.25 0.00 -1.33 0.00 0.00 58.87 57.30 2ys2 n SER 2 Cb 0.00 -0.03 0.06 0.00 -0.75 0.00 0.00 64.21 63.49 2ys2 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ys2 n SER 3 N -2.91 -4.76 0.00 -3.46 7.64 -1.26 -4.71 113.62 104.16 2ys2 n SER 3 Ca -0.02 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.21 2ys2 n SER 3 Cb 0.52 -4.58 0.00 0.00 -1.01 0.00 0.00 64.21 59.13 2ys2 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ys2 n GLY 4 N -1.75 -0.54 3.56 0.23 0.00 -1.26 -5.08 105.19 100.34 2ys2 n GLY 4 Ca -0.05 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 2ys2 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ys2 s SER 5 N -1.56 -0.45 0.38 1.61 1.04 -1.26 -5.14 113.70 108.32 2ys2 s SER 5 Ca 0.00 -0.18 -0.23 0.00 0.48 0.00 0.00 55.95 56.02 2ys2 s SER 5 Cb 0.00 0.61 -0.14 0.00 0.10 0.00 0.00 66.02 66.59 2ys2 s SER 5 CO 0.00 -1.04 0.40 -0.24 0.98 0.00 0.00 173.24 173.34 2ys2 n SER 6 N -0.39 -1.55 -4.16 7.02 2.88 -1.26 -4.90 113.62 111.25 2ys2 n SER 6 Ca -0.12 0.91 -0.39 0.00 -1.33 0.00 0.00 58.87 57.94 2ys2 n SER 6 Cb 0.63 -1.02 -0.06 0.00 -0.75 0.00 0.00 64.21 63.01 2ys2 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ys2 s GLY 7 N -0.96 2.84 0.10 0.46 0.00 -1.26 -5.06 107.32 103.45 2ys2 s GLY 7 Ca 0.62 -3.58 0.02 0.00 0.00 0.00 0.00 44.72 41.78 2ys2 s GLY 7 CO 0.60 1.19 0.16 -1.31 0.00 0.00 0.00 173.10 173.73 2ys2 s ASN 8 N 0.60 5.89 0.37 1.64 -0.87 -1.26 -5.09 114.94 116.22 2ys2 s ASN 8 Ca 0.23 0.07 -0.27 0.00 -1.57 0.00 0.00 52.86 51.33 2ys2 s ASN 8 Cb -0.12 -1.68 -0.09 0.00 -0.02 0.00 0.00 41.25 39.34 2ys2 s ASN 8 CO -0.08 0.13 1.20 -2.16 -2.57 0.00 0.00 177.10 173.62 2ys2 s PRO 9 N -2.71 4.21 -0.88 -0.60 0.04 -1.26 -4.92 135.00 128.87 2ys2 s PRO 9 Ca 0.32 1.95 -0.25 0.00 0.04 0.00 0.00 61.00 63.07 2ys2 s PRO 9 Cb -0.12 -2.86 -0.03 0.00 0.04 0.00 0.00 34.50 31.54 2ys2 s PRO 9 CO 0.25 -0.22 1.84 -3.38 0.04 0.00 0.00 177.00 175.53 2ys2 s HIS 10 N -1.29 1.92 -0.16 0.56 -3.43 -1.26 -4.76 115.29 106.87 2ys2 s HIS 10 Ca 0.53 0.40 -0.23 0.00 -0.80 0.00 0.00 55.06 54.95 2ys2 s HIS 10 Cb -0.34 -4.17 -0.24 0.00 -1.43 0.00 0.00 32.58 26.41 2ys2 s HIS 10 CO 0.43 -1.85 0.51 1.25 -2.00 0.00 0.00 174.74 173.09 2ys2 h LEU 11 N 16.77 0.08 -8.39 5.38 5.85 -2.07 -3.43 115.31 129.51 2ys2 h LEU 11 Ca 0.06 -0.77 -0.27 0.00 0.84 0.00 0.00 57.88 57.74 2ys2 h LEU 11 Cb 1.03 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 2ys2 h LEU 11 CO 1.25 1.32 0.80 -0.22 -0.34 0.00 0.00 178.44 181.25 2ys2 s LEU 12 N -7.95 3.14 -0.23 2.25 0.20 -1.26 -4.86 118.68 109.97 2ys2 s LEU 12 Ca -0.23 0.12 -0.26 0.00 0.69 0.00 0.00 54.13 54.45 2ys2 s LEU 12 Cb 0.02 -2.54 0.09 0.00 -0.43 0.00 0.00 46.19 43.33 2ys2 s LEU 12 CO 0.67 -3.09 0.81 0.54 -0.29 0.00 0.00 176.35 174.98 2ys2 s VAL 13 N 11.94 0.00 0.38 1.68 0.11 -1.26 -5.18 120.40 128.07 2ys2 s VAL 13 Ca 0.83 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.96 2ys2 s VAL 13 Cb -0.12 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 2ys2 s VAL 13 CO 0.12 0.00 0.19 -0.54 -3.33 0.00 0.00 175.10 171.53 2ys2 s LYS 14 N -0.01 2.33 0.15 1.54 3.01 -1.26 -5.05 119.74 120.44 2ys2 s LYS 14 Ca -0.01 -1.67 0.01 0.00 -1.01 0.00 0.00 55.97 53.29 2ys2 s LYS 14 Cb -0.04 -2.12 -0.04 0.00 -1.01 0.00 0.00 37.83 34.62 2ys2 s LYS 14 CO 0.01 -0.02 0.02 1.52 0.51 0.00 0.00 175.35 177.39 2ys2 s TYR 15 N -2.50 1.05 -0.32 3.18 1.13 -1.26 -4.06 117.35 114.56 2ys2 s TYR 15 Ca 0.40 -1.09 -0.10 0.00 -1.41 0.00 0.00 57.07 54.87 2ys2 s TYR 15 Cb -0.00 -0.60 -0.00 0.00 -1.10 0.00 0.00 41.96 40.25 2ys2 s TYR 15 CO 0.23 -0.33 0.16 -1.01 -2.51 0.00 0.00 175.55 172.10 2ys2 s HIS 16 N -3.80 3.19 -0.19 -3.49 3.76 -1.26 -2.52 115.29 110.97 2ys2 s HIS 16 Ca 0.23 -0.61 -0.02 0.00 -0.15 0.00 0.00 55.06 54.51 2ys2 s HIS 16 Cb 0.07 -2.37 0.06 0.00 1.11 0.00 0.00 32.58 31.45 2ys2 s HIS 16 CO 0.02 -0.48 2.33 0.45 -0.85 0.00 0.00 174.74 176.22 2ys2 n SER 17 N 4.99 5.95 -3.44 1.40 2.88 -1.26 -4.85 113.62 119.29 2ys2 n SER 17 Ca -0.14 -2.80 -0.11 0.00 -1.33 0.00 0.00 58.87 54.49 2ys2 n SER 17 Cb 0.49 -1.15 -0.03 0.00 -0.75 0.00 0.00 64.21 62.76 2ys2 n SER 17 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ys2 s GLY 18 N 1.03 0.90 0.76 0.46 0.00 -1.26 -4.84 107.32 104.36 2ys2 s GLY 18 Ca 0.30 -1.11 -0.03 0.00 0.00 0.00 0.00 44.72 43.87 2ys2 s GLY 18 CO -0.03 -0.71 1.05 -1.36 0.00 0.00 0.00 173.10 172.05 2ys2 s PHE 19 N -3.23 1.55 -0.16 1.90 0.08 -1.26 -4.78 117.98 112.07 2ys2 s PHE 19 Ca 0.24 -0.20 -0.04 0.00 0.12 0.00 0.00 56.93 57.05 2ys2 s PHE 19 Cb -0.02 -3.15 0.06 0.00 -0.57 0.00 0.00 43.02 39.34 2ys2 s PHE 19 CO 0.14 -1.87 0.07 0.12 -0.10 0.00 0.00 175.22 173.59 2ys2 s PHE 20 N -3.26 0.41 0.02 0.36 2.19 -1.26 0.50 117.98 116.94 2ys2 s PHE 20 Ca 0.68 -0.38 -0.03 0.00 0.33 0.00 0.00 56.93 57.52 2ys2 s PHE 20 Cb -0.05 -0.76 -0.02 0.00 -1.31 0.00 0.00 43.02 40.89 2ys2 s PHE 20 CO 0.46 -0.49 0.03 0.14 1.83 0.00 0.00 175.22 177.19 2ys2 s VAL 21 N 2.07 0.12 -1.38 3.12 -7.23 0.69 -4.85 120.40 112.93 2ys2 s VAL 21 Ca 0.02 -0.99 -0.05 0.00 -1.81 0.00 0.00 61.98 59.15 2ys2 s VAL 21 Cb -0.16 -0.55 0.01 0.00 0.56 0.00 0.00 36.38 36.24 2ys2 s VAL 21 CO -0.08 -0.54 0.71 0.47 -0.31 0.00 0.00 175.10 175.35 2ys2 n ASP 22 N 1.25 -5.85 -3.34 4.85 9.92 -1.26 -2.64 116.55 119.48 2ys2 n ASP 22 Ca -0.22 -0.33 -0.18 0.00 -0.53 0.00 0.00 54.79 53.54 2ys2 n ASP 22 Cb 0.56 -4.62 0.08 0.00 -0.64 0.00 0.00 41.12 36.51 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 -1.59 -0.35 3.59 0.44 0.00 -1.26 -5.00 105.19 101.02 2ys2 n GLY 23 Ca -0.07 0.10 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 -5.49 0.34 0.48 1.61 -2.85 -1.08 -4.55 119.74 108.20 2ys2 s LYS 24 Ca 0.12 -0.12 -0.04 0.00 -1.00 0.00 0.00 55.97 54.93 2ys2 s LYS 24 Cb -0.05 0.16 -0.02 0.00 -2.06 0.00 0.00 37.83 35.85 2ys2 s LYS 24 CO 0.69 -0.15 0.76 -0.06 0.10 0.00 0.00 175.35 176.70 2ys2 s PHE 25 N -2.41 3.44 -2.15 1.78 0.08 -0.53 -0.22 117.98 117.97 2ys2 s PHE 25 Ca 0.09 0.63 0.17 0.00 0.12 0.00 0.00 56.93 57.94 2ys2 s PHE 25 Cb -0.01 -2.34 0.16 0.00 -0.57 0.00 0.00 43.02 40.26 2ys2 s PHE 25 CO -0.05 -0.35 1.08 1.28 -0.10 0.00 0.00 175.22 177.08 2ys2 n LEU 26 N -2.24 2.52 -0.12 -0.37 4.32 0.18 -2.90 117.00 118.39 2ys2 n LEU 26 Ca 0.01 -1.06 -0.24 0.00 -0.02 0.00 0.00 56.01 54.70 2ys2 n LEU 26 Cb 0.56 -0.02 -0.11 0.00 -1.62 0.00 0.00 43.42 42.23 2ys2 n LEU 26 CO 0.52 0.46 -1.27 0.00 -1.22 0.00 0.00 177.39 175.88 2ys2 n GLN 29 N -0.95 -1.25 -1.78 0.00 1.13 -1.14 -4.86 117.38 108.53 2ys2 n GLN 29 Ca 0.11 0.13 -0.33 0.00 -1.94 0.00 0.00 57.00 54.98 2ys2 n GLN 29 Cb 0.68 -4.70 0.04 0.00 0.11 0.00 0.00 30.24 26.37 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 -6.82 2.91 -0.44 -1.09 -1.52 -1.26 -4.70 119.66 106.75 2ys2 s GLN 30 Ca 0.68 1.28 0.05 0.00 -1.95 0.00 0.00 55.36 55.42 2ys2 s GLN 30 Cb -0.40 -1.97 0.43 0.00 -0.22 0.00 0.00 33.01 30.85 2ys2 s GLN 30 CO 0.83 -1.15 1.29 -1.13 -0.25 0.00 0.00 175.29 174.88 2ys2 n SER 31 N -2.46 5.27 -3.63 5.90 3.41 -1.26 -1.45 113.62 119.39 2ys2 n SER 31 Ca 0.10 -3.75 -0.13 0.00 -0.26 0.00 0.00 58.87 54.83 2ys2 n SER 31 Cb 0.52 -0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 2ys2 n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ys2 h LYS 33 N 2.96 0.23 -1.25 0.00 1.57 -1.95 -3.34 116.57 114.79 2ys2 h LYS 33 Ca -0.31 -0.39 -0.43 0.00 -1.87 0.00 0.00 60.65 57.65 2ys2 h LYS 33 Cb 1.21 0.15 -0.20 0.00 0.08 0.00 0.00 32.23 33.46 2ys2 h LYS 33 CO 0.42 1.19 0.56 0.00 -0.57 0.00 0.00 179.45 181.05 2ys2 n ALA 34 N -2.88 5.34 -1.76 3.86 0.00 -1.26 -4.97 120.51 118.84 2ys2 n ALA 34 Ca -0.21 -2.24 -0.35 0.00 0.00 0.00 0.00 53.44 50.64 2ys2 n ALA 34 Cb 0.83 -1.47 -0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 -2.49 2.72 0.19 0.00 0.00 -1.26 -4.98 121.76 115.94 2ys2 s ALA 35 Ca 0.42 0.75 -0.30 0.00 0.00 0.00 0.00 51.96 52.84 2ys2 s ALA 35 Cb 0.34 -3.33 -0.09 0.00 0.00 0.00 0.00 23.12 20.04 2ys2 s ALA 35 CO 0.01 -0.71 1.31 -1.25 0.00 0.00 0.00 175.76 175.12 2ys2 s PRO 36 N -3.34 4.38 -0.33 0.00 0.04 -1.26 -4.89 135.00 129.59 2ys2 s PRO 36 Ca 0.71 2.04 -0.37 0.00 0.04 0.00 0.00 61.00 63.43 2ys2 s PRO 36 Cb -0.22 -3.20 -0.13 0.00 0.04 0.00 0.00 34.50 30.99 2ys2 s PRO 36 CO 0.27 -0.27 2.08 0.41 0.04 0.00 0.00 177.00 179.52 2ys2 n GLY 37 N 2.50 0.57 0.25 0.56 0.00 -1.26 -4.79 105.19 103.03 2ys2 n GLY 37 Ca 0.07 0.95 0.17 0.00 0.00 0.00 0.00 46.02 47.20 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 -3.71 3.65 -0.04 0.00 2.01 -1.05 -4.98 115.64 111.52 2ys2 s THR 39 Ca -0.00 0.69 0.01 0.00 0.31 0.00 0.00 61.69 62.69 2ys2 s THR 39 Cb 0.10 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.82 2ys2 s THR 39 CO 0.45 -0.47 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.11 2ys2 s LEU 40 N 6.03 1.28 -1.42 4.42 1.43 -1.26 -4.45 118.68 124.71 2ys2 s LEU 40 Ca 0.73 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.69 2ys2 s LEU 40 Cb -0.21 -0.43 0.00 0.00 0.03 0.00 0.00 46.19 45.58 2ys2 s LEU 40 CO 0.32 -0.07 0.36 0.79 0.23 0.00 0.00 176.35 177.99 2ys2 n TRP 41 N 4.12 -1.58 -4.78 0.29 7.02 -1.26 -4.95 117.44 116.29 2ys2 n TRP 41 Ca -0.24 0.69 -0.33 0.00 -1.02 0.00 0.00 57.50 56.60 2ys2 n TRP 41 Cb 0.51 -3.54 -0.12 0.00 -2.42 0.00 0.00 31.31 25.73 2ys2 n TRP 41 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2ys2 s GLU 42 N -6.70 2.66 0.06 -0.99 0.41 -1.26 -5.13 118.70 107.76 2ys2 s GLU 42 Ca 0.03 -0.64 0.06 0.00 -0.41 0.00 0.00 54.97 54.01 2ys2 s GLU 42 Cb -0.01 -2.48 -0.03 0.00 -1.78 0.00 0.00 34.13 29.83 2ys2 s GLU 42 CO 0.91 0.61 -0.15 0.00 -0.49 0.00 0.00 175.26 176.13 2ys2 s ALA 43 N -0.67 1.29 -0.26 5.21 0.00 -1.26 -5.13 121.76 120.93 2ys2 s ALA 43 Ca 0.10 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.10 2ys2 s ALA 43 Cb -0.11 -0.16 0.07 0.00 0.00 0.00 0.00 23.12 22.92 2ys2 s ALA 43 CO 0.01 0.22 -0.07 0.71 0.00 0.00 0.00 175.76 176.63 2ys2 s TYR 44 N -1.10 3.07 -0.22 0.00 1.51 -1.26 -5.07 117.35 114.28 2ys2 s TYR 44 Ca 0.01 -2.25 -0.03 0.00 -1.01 0.00 0.00 57.07 53.78 2ys2 s TYR 44 Cb -0.09 -1.96 0.11 0.00 -0.11 0.00 0.00 41.96 39.91 2ys2 s TYR 44 CO 0.02 -0.86 0.28 0.45 -1.11 0.00 0.00 175.55 174.33 2ys2 s SER 45 N 1.16 1.00 -0.47 2.29 0.15 -1.26 -5.08 113.70 111.49 2ys2 s SER 45 Ca -0.05 -0.10 0.07 0.00 0.70 0.00 0.00 55.95 56.57 2ys2 s SER 45 Cb -0.20 0.64 0.18 0.00 -1.71 0.00 0.00 66.02 64.94 2ys2 s SER 45 CO -0.06 -0.32 0.64 -0.83 1.20 0.00 0.00 173.24 173.87 2ys2 s GLY 46 N 2.40 -0.95 0.00 9.45 0.00 -1.26 -4.98 107.32 111.98 2ys2 s GLY 46 Ca 0.09 -0.48 0.16 0.00 0.00 0.00 0.00 44.72 44.49 2ys2 s GLY 46 CO -0.14 3.46 1.35 -1.55 0.00 0.00 0.00 173.10 176.21 2ys2 n PRO 47 N 3.42 0.46 -3.82 2.90 -0.04 -1.26 -4.74 135.00 131.93 2ys2 n PRO 47 Ca 0.17 0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 2ys2 n PRO 47 Cb 0.55 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.44 2ys2 n PRO 47 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ys2 s SER 48 N -2.05 0.05 0.03 3.54 1.04 -1.26 -5.18 113.70 109.88 2ys2 s SER 48 Ca 0.23 -0.58 -0.28 0.00 0.48 0.00 0.00 55.95 55.80 2ys2 s SER 48 Cb 0.11 0.36 0.10 0.00 0.10 0.00 0.00 66.02 66.69 2ys2 s SER 48 CO 0.18 -0.74 1.20 -0.94 0.98 0.00 0.00 173.24 173.92 2ys2 s SER 49 N -2.81 -0.07 0.00 7.02 1.04 -1.26 -5.19 113.70 112.43 2ys2 s SER 49 Ca 0.04 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.23 2ys2 s SER 49 Cb 0.04 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2ys2 s SER 49 CO -0.11 -0.47 0.47 0.61 0.98 0.00 0.00 173.24 174.72