#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 -1.42 0.23 1.61 2.88 -1.26 -4.81 113.62 110.85 2ys2 n SER 2 Ca 0.00 -1.25 -0.15 0.00 -1.33 0.00 0.00 58.87 56.14 2ys2 n SER 2 Cb 0.00 -1.59 -0.08 0.00 -0.75 0.00 0.00 64.21 61.79 2ys2 n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2ys2 h SER 3 N -1.00 -0.55 -4.55 -3.46 0.87 -2.06 -3.49 113.55 99.31 2ys2 h SER 3 Ca -0.60 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 59.99 2ys2 h SER 3 Cb 1.38 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 2ys2 h SER 3 CO 0.87 -0.36 0.00 0.61 -0.53 0.00 0.00 176.83 177.42 2ys2 n GLY 4 N -1.35 0.00 0.22 5.77 0.00 -1.26 -4.74 105.19 103.83 2ys2 n GLY 4 Ca -0.10 -1.66 -0.07 0.00 0.00 0.00 0.00 46.02 44.19 2ys2 n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ys2 h SER 5 N 0.00 0.62 -2.68 1.61 4.64 -2.05 -3.38 113.55 112.31 2ys2 h SER 5 Ca 0.00 -0.04 -0.54 0.00 -0.47 0.00 0.00 61.79 60.74 2ys2 h SER 5 Cb 0.00 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 61.87 2ys2 h SER 5 CO 0.00 0.48 1.12 -0.94 -0.87 0.00 0.00 176.83 176.61 2ys2 s SER 6 N -5.72 6.06 0.00 4.97 1.04 -1.26 -4.94 113.70 113.84 2ys2 s SER 6 Ca -0.13 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2ys2 s SER 6 Cb 0.12 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.70 2ys2 s SER 6 CO 0.75 -1.78 0.00 0.61 0.98 0.00 0.00 173.24 173.79 2ys2 n GLY 7 N 5.31 0.54 3.84 7.32 0.00 -1.26 -5.07 105.19 115.88 2ys2 n GLY 7 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2ys2 n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ys2 s ASN 8 N -1.00 6.07 0.50 1.61 0.01 -1.26 -5.11 114.94 115.76 2ys2 s ASN 8 Ca 0.00 0.30 0.00 0.00 -0.71 0.00 0.00 52.86 52.45 2ys2 s ASN 8 Cb 0.00 -1.86 0.00 0.00 0.41 0.00 0.00 41.25 39.80 2ys2 s ASN 8 CO 0.00 0.31 0.00 -0.81 -1.51 0.00 0.00 177.10 175.09 2ys2 n PRO 9 N 1.35 -0.01 -4.26 -0.60 -0.04 -1.26 -4.33 135.00 125.85 2ys2 n PRO 9 Ca -0.14 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.98 2ys2 n PRO 9 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.94 2ys2 n PRO 9 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2ys2 n HIS 10 N -1.51 -1.48 -0.10 0.54 8.25 -1.26 -4.85 115.22 114.81 2ys2 n HIS 10 Ca 0.00 0.72 -0.24 0.00 -0.26 0.00 0.00 57.72 57.94 2ys2 n HIS 10 Cb 0.00 -2.86 -0.11 0.00 1.12 0.00 0.00 29.99 28.13 2ys2 n HIS 10 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2ys2 n LEU 11 N -4.37 2.05 -2.09 2.41 7.94 -1.26 -4.37 117.00 117.32 2ys2 n LEU 11 Ca -0.11 0.34 -0.17 0.00 -1.11 0.00 0.00 56.01 54.96 2ys2 n LEU 11 Cb 0.58 -0.94 -0.05 0.00 0.53 0.00 0.00 43.42 43.55 2ys2 n LEU 11 CO 0.86 0.48 1.41 0.18 -1.11 0.00 0.00 177.39 179.21 2ys2 n LEU 12 N -4.19 6.07 -3.92 -1.96 4.32 -1.26 -4.83 117.00 111.22 2ys2 n LEU 12 Ca -0.40 -3.45 -0.20 0.00 -0.02 0.00 0.00 56.01 51.94 2ys2 n LEU 12 Cb 0.81 -1.21 -0.16 0.00 -1.62 0.00 0.00 43.42 41.24 2ys2 n LEU 12 CO 0.17 1.49 -0.42 -0.69 -1.22 0.00 0.00 177.39 176.72 2ys2 s VAL 13 N -1.29 0.63 -0.36 4.08 1.01 -1.26 -5.08 120.40 118.13 2ys2 s VAL 13 Ca 0.45 -0.20 -0.34 0.00 0.00 0.00 0.00 61.98 61.89 2ys2 s VAL 13 Cb 0.28 -0.63 -0.14 0.00 0.00 0.00 0.00 36.38 35.89 2ys2 s VAL 13 CO -0.08 0.24 1.19 0.29 0.00 0.00 0.00 175.10 176.74 2ys2 n LYS 14 N 3.89 0.00 -4.16 2.72 5.02 -1.26 -4.90 118.16 119.47 2ys2 n LYS 14 Ca -0.24 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 55.88 2ys2 n LYS 14 Cb 0.51 -1.09 -0.05 0.00 -0.02 0.00 0.00 35.03 34.38 2ys2 n LYS 14 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 2ys2 n TYR 15 N 3.09 -1.20 -3.16 2.13 4.11 -1.25 -4.42 117.16 116.46 2ys2 n TYR 15 Ca 0.24 -2.62 -0.42 0.00 -0.00 0.00 0.00 57.90 55.10 2ys2 n TYR 15 Cb -0.04 0.46 -0.07 0.00 -0.00 0.00 0.00 39.34 39.68 2ys2 n TYR 15 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 2ys2 s HIS 16 N -3.07 3.13 -0.02 -3.48 3.76 -1.26 -3.15 115.29 111.19 2ys2 s HIS 16 Ca 0.35 0.13 -0.02 0.00 -0.15 0.00 0.00 55.06 55.36 2ys2 s HIS 16 Cb 0.00 -3.14 -0.09 0.00 1.11 0.00 0.00 32.58 30.46 2ys2 s HIS 16 CO 0.25 -0.69 2.62 0.45 -0.85 0.00 0.00 174.74 176.52 2ys2 n SER 17 N 6.02 5.38 0.00 1.40 2.88 -1.26 -4.77 113.62 123.26 2ys2 n SER 17 Ca -0.03 -2.48 0.00 0.00 -1.33 0.00 0.00 58.87 55.04 2ys2 n SER 17 Cb 0.48 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 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 1.81 3.99 3.35 0.46 0.00 -1.26 -4.77 105.19 108.78 2ys2 n GLY 18 Ca 0.18 -0.63 -0.15 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.34 1.24 -0.42 1.61 0.40 -1.26 -4.96 117.98 114.25 2ys2 s PHE 19 Ca 0.00 -1.38 -0.06 0.00 -0.60 0.00 0.00 56.93 54.89 2ys2 s PHE 19 Cb 0.00 -0.40 0.10 0.00 0.51 0.00 0.00 43.02 43.23 2ys2 s PHE 19 CO 0.00 -0.89 0.24 0.12 0.70 0.00 0.00 175.22 175.39 2ys2 s PHE 20 N -3.60 3.44 0.02 0.36 5.36 -1.26 -1.87 117.98 120.43 2ys2 s PHE 20 Ca 0.35 -1.95 0.05 0.00 -0.96 0.00 0.00 56.93 54.42 2ys2 s PHE 20 Cb 0.03 -3.12 -0.02 0.00 -0.34 0.00 0.00 43.02 39.56 2ys2 s PHE 20 CO 0.19 -0.93 -0.16 0.08 -1.46 0.00 0.00 175.22 172.95 2ys2 s VAL 21 N 1.30 1.27 -1.17 3.12 1.01 0.22 -4.77 120.40 121.37 2ys2 s VAL 21 Ca 0.05 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 2ys2 s VAL 21 Cb -0.23 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.05 2ys2 s VAL 21 CO -0.01 0.16 1.03 -0.67 0.00 0.00 0.00 175.10 175.61 2ys2 n ASP 22 N 2.16 -5.76 -3.14 3.32 -0.08 -1.26 -2.31 116.55 109.48 2ys2 n ASP 22 Ca -0.17 -0.47 -0.23 0.00 -1.51 0.00 0.00 54.79 52.42 2ys2 n ASP 22 Cb 0.54 -4.43 0.04 0.00 2.34 0.00 0.00 41.12 39.62 2ys2 n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ys2 n GLY 23 N -1.80 -0.53 3.71 0.27 0.00 -1.26 -4.95 105.19 100.63 2ys2 n GLY 23 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 2ys2 n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ys2 s LYS 24 N -5.83 1.03 0.75 1.61 1.02 -0.98 -4.84 119.74 112.50 2ys2 s LYS 24 Ca 0.36 -0.55 -0.06 0.00 0.02 0.00 0.00 55.97 55.73 2ys2 s LYS 24 Cb -0.16 0.36 0.11 0.00 -0.52 0.00 0.00 37.83 37.62 2ys2 s LYS 24 CO 0.44 -0.47 1.05 -0.06 -0.92 0.00 0.00 175.35 175.39 2ys2 s PHE 25 N -3.14 2.25 0.00 3.18 0.08 -0.36 0.72 117.98 120.71 2ys2 s PHE 25 Ca 0.12 0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.33 2ys2 s PHE 25 Cb -0.00 -3.28 0.00 0.00 -0.57 0.00 0.00 43.02 39.17 2ys2 s PHE 25 CO 0.00 -1.70 0.00 1.28 -0.10 0.00 0.00 175.22 174.70 2ys2 n LEU 26 N -3.01 0.00 0.02 -0.37 4.77 -0.78 -3.92 117.00 113.70 2ys2 n LEU 26 Ca 0.11 -0.13 -0.21 0.00 -0.03 0.00 0.00 56.01 55.75 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 0.47 0.00 -0.23 0.00 -1.33 0.00 0.00 177.39 176.30 2ys2 n GLN 29 N -0.60 -1.48 -3.07 0.00 3.00 -1.25 -4.84 117.38 109.13 2ys2 n GLN 29 Ca 0.10 0.07 -0.39 0.00 -0.01 0.00 0.00 57.00 56.77 2ys2 n GLN 29 Cb 0.75 -3.96 -0.06 0.00 0.00 0.00 0.00 30.24 26.98 2ys2 n GLN 29 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2ys2 s GLN 30 N -5.56 4.43 -0.67 -1.09 -0.21 -1.26 -4.69 119.66 110.61 2ys2 s GLN 30 Ca 0.45 0.97 0.00 0.00 0.02 0.00 0.00 55.36 56.80 2ys2 s GLN 30 Cb -0.26 -3.32 0.40 0.00 1.00 0.00 0.00 33.01 30.83 2ys2 s GLN 30 CO 0.55 0.42 1.79 -1.13 -2.12 0.00 0.00 175.29 174.80 2ys2 n SER 31 N 2.35 6.84 -3.60 5.90 3.41 -1.26 -1.23 113.62 126.02 2ys2 n SER 31 Ca -0.05 -3.80 -0.24 0.00 -0.26 0.00 0.00 58.87 54.52 2ys2 n SER 31 Cb 0.50 -0.87 -0.17 0.00 -0.26 0.00 0.00 64.21 63.42 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 8.41 0.54 -1.84 0.00 3.64 -1.99 -2.08 116.57 123.24 2ys2 h LYS 33 Ca -0.15 -0.03 -0.73 0.00 -1.27 0.00 0.00 60.65 58.46 2ys2 h LYS 33 Cb 1.15 -0.12 -0.30 0.00 -0.41 0.00 0.00 32.23 32.55 2ys2 h LYS 33 CO 0.27 0.36 0.76 0.00 -2.27 0.00 0.00 179.45 178.57 2ys2 n ALA 34 N -2.49 6.28 -2.73 5.00 0.00 -1.26 -5.00 120.51 120.32 2ys2 n ALA 34 Ca 0.11 -4.10 -0.31 0.00 0.00 0.00 0.00 53.44 49.14 2ys2 n ALA 34 Cb 0.32 -1.75 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 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 -3.98 3.83 0.17 0.00 0.00 -0.78 -5.06 121.76 115.94 2ys2 s ALA 35 Ca 0.52 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 2ys2 s ALA 35 Cb 0.44 -2.06 -0.08 0.00 0.00 0.00 0.00 23.12 21.42 2ys2 s ALA 35 CO -0.35 0.65 1.32 -1.25 0.00 0.00 0.00 175.76 176.13 2ys2 s PRO 36 N -2.77 4.37 -0.45 0.00 0.04 -1.26 -4.88 135.00 130.05 2ys2 s PRO 36 Ca 0.40 2.04 -0.44 0.00 0.04 0.00 0.00 61.00 63.04 2ys2 s PRO 36 Cb -0.12 -3.22 -0.18 0.00 0.04 0.00 0.00 34.50 31.02 2ys2 s PRO 36 CO 0.26 -0.30 1.88 0.41 0.04 0.00 0.00 177.00 179.29 2ys2 n GLY 37 N 2.72 0.21 0.36 0.56 0.00 -1.26 -4.81 105.19 102.97 2ys2 n GLY 37 Ca 0.08 1.03 -0.03 0.00 0.00 0.00 0.00 46.02 47.10 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 -5.84 3.54 -0.06 0.00 2.01 -1.19 -4.58 115.64 109.52 2ys2 s THR 39 Ca -0.12 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 61.53 2ys2 s THR 39 Cb 0.17 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.43 2ys2 s THR 39 CO 0.82 -1.16 0.07 -0.11 -0.69 0.00 0.00 174.62 173.54 2ys2 n LEU 40 N 12.74 0.05 -2.42 4.42 0.00 -1.26 -3.92 117.00 126.62 2ys2 n LEU 40 Ca 0.36 -0.31 -0.28 0.00 0.00 0.00 0.00 56.01 55.78 2ys2 n LEU 40 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.90 2ys2 n LEU 40 CO 0.63 0.01 1.48 -2.67 0.00 0.00 0.00 177.39 176.84 2ys2 n TRP 41 N -1.25 2.08 -0.13 1.96 2.14 -1.26 -4.65 117.44 116.33 2ys2 n TRP 41 Ca 0.00 -2.17 -0.07 0.00 2.07 0.00 0.00 57.50 57.33 2ys2 n TRP 41 Cb 0.04 -1.26 0.03 0.00 -0.81 0.00 0.00 31.31 29.31 2ys2 n TRP 41 CO 0.00 0.00 0.00 -0.85 2.07 0.00 0.00 177.69 178.91 2ys2 n GLU 42 N 0.23 1.36 -2.36 -2.67 -0.00 -1.26 -4.22 120.64 111.73 2ys2 n GLU 42 Ca 0.48 -0.78 -0.26 0.00 -0.00 0.00 0.00 57.16 56.59 2ys2 n GLU 42 Cb 0.51 -1.31 0.01 0.00 -0.00 0.00 0.00 31.44 30.65 2ys2 n GLU 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ys2 n ALA 43 N 0.50 5.07 -2.78 -1.84 0.00 -1.26 -4.98 120.51 115.23 2ys2 n ALA 43 Ca 0.15 -4.19 -0.43 0.00 0.00 0.00 0.00 53.44 48.97 2ys2 n ALA 43 Cb 0.67 -0.50 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 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 -3.56 3.00 0.00 0.00 5.04 -1.26 -4.85 117.35 115.72 2ys2 s TYR 44 Ca 0.49 -1.47 -0.12 0.00 -2.44 0.00 0.00 57.07 53.53 2ys2 s TYR 44 Cb 0.40 -4.48 -0.06 0.00 0.35 0.00 0.00 41.96 38.17 2ys2 s TYR 44 CO -0.13 -1.64 0.81 0.77 -1.34 0.00 0.00 175.55 174.02 2ys2 h SER 45 N 8.46 -0.36 -0.02 4.32 0.02 -1.97 -3.50 113.55 120.50 2ys2 h SER 45 Ca 0.26 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2ys2 h SER 45 Cb 0.96 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2ys2 h SER 45 CO 1.29 -0.17 0.00 0.61 -1.14 0.00 0.00 176.83 177.42 2ys2 n GLY 46 N -0.16 3.61 0.00 -3.77 0.00 -1.26 -4.96 105.19 98.65 2ys2 n GLY 46 Ca -0.05 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.52 2ys2 n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ys2 n PRO 47 N -1.00 0.41 -1.23 1.61 -0.04 -1.26 -4.87 135.00 128.61 2ys2 n PRO 47 Ca 0.00 0.04 -0.48 0.00 -0.04 0.00 0.00 63.50 63.02 2ys2 n PRO 47 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 2ys2 n PRO 47 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ys2 n SER 48 N -1.08 0.62 -4.25 3.54 7.64 -1.26 -4.78 113.62 114.04 2ys2 n SER 48 Ca 0.10 0.87 -0.36 0.00 1.01 0.00 0.00 58.87 60.50 2ys2 n SER 48 Cb 0.07 -0.66 0.07 0.00 -1.01 0.00 0.00 64.21 62.68 2ys2 n SER 48 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2ys2 n SER 49 N 2.38 -3.55 -0.20 6.43 7.64 -1.26 -5.23 113.62 119.84 2ys2 n SER 49 Ca 0.20 0.37 0.15 0.00 1.01 0.00 0.00 58.87 60.61 2ys2 n SER 49 Cb -0.01 -1.00 0.78 0.00 -1.01 0.00 0.00 64.21 62.96 2ys2 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64