#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 1.36 -4.22 1.61 2.88 -1.26 -5.08 113.62 108.91 2ys2 n SER 2 Ca 0.00 0.20 -0.17 0.00 -1.33 0.00 0.00 58.87 57.57 2ys2 n SER 2 Cb 0.00 -0.49 -0.11 0.00 -0.75 0.00 0.00 64.21 62.86 2ys2 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ys2 s SER 3 N -5.87 1.85 0.00 -3.46 0.01 -1.26 -4.97 113.70 100.00 2ys2 s SER 3 Ca -0.11 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.35 2ys2 s SER 3 Cb 0.02 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2ys2 s SER 3 CO 0.17 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.26 2ys2 n GLY 4 N 0.59 0.64 0.06 3.44 0.00 -1.26 -5.00 105.19 103.67 2ys2 n GLY 4 Ca -0.16 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 2ys2 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ys2 h SER 5 N 0.00 -0.02 -3.39 1.61 0.87 -2.04 -3.44 113.55 107.14 2ys2 h SER 5 Ca 0.00 -0.26 -0.48 0.00 -1.23 0.00 0.00 61.79 59.82 2ys2 h SER 5 Cb 0.00 0.01 0.22 0.00 -0.44 0.00 0.00 62.40 62.18 2ys2 h SER 5 CO 0.00 0.24 -0.24 -1.54 -0.53 0.00 0.00 176.83 174.77 2ys2 n SER 6 N -4.98 -1.32 -3.74 6.23 3.41 -1.26 -5.04 113.62 106.92 2ys2 n SER 6 Ca -0.08 0.09 -0.16 0.00 -0.26 0.00 0.00 58.87 58.46 2ys2 n SER 6 Cb 0.16 -1.26 -0.16 0.00 -0.26 0.00 0.00 64.21 62.68 2ys2 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ys2 s GLY 7 N -2.30 0.12 0.02 5.00 0.00 -1.26 -5.15 107.32 103.75 2ys2 s GLY 7 Ca 0.64 0.31 -0.09 0.00 0.00 0.00 0.00 44.72 45.58 2ys2 s GLY 7 CO 0.64 0.91 0.17 -1.31 0.00 0.00 0.00 173.10 173.51 2ys2 s ASN 8 N 1.39 0.03 1.19 1.64 0.01 -1.26 -5.17 114.94 112.77 2ys2 s ASN 8 Ca -0.05 -0.29 -0.16 0.00 -0.71 0.00 0.00 52.86 51.65 2ys2 s ASN 8 Cb -0.13 0.25 0.24 0.00 0.41 0.00 0.00 41.25 42.02 2ys2 s ASN 8 CO -0.03 -0.47 0.84 -0.81 -1.51 0.00 0.00 177.10 175.12 2ys2 n PRO 9 N 1.04 -2.67 -1.56 -0.60 -0.04 -1.26 -4.82 135.00 125.09 2ys2 n PRO 9 Ca -0.21 -1.34 -0.22 0.00 -0.04 0.00 0.00 63.50 61.69 2ys2 n PRO 9 Cb 0.57 -1.26 -0.06 0.00 -0.04 0.00 0.00 33.50 32.72 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 -4.33 1.26 0.40 0.54 8.25 -1.26 -4.81 115.22 115.27 2ys2 n HIS 10 Ca 0.12 0.04 -0.16 0.00 -0.26 0.00 0.00 57.72 57.46 2ys2 n HIS 10 Cb 0.45 -2.61 -0.07 0.00 1.12 0.00 0.00 29.99 28.87 2ys2 n HIS 10 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2ys2 h LEU 11 N 21.35 -0.87 -7.41 2.41 5.85 -2.06 -3.36 115.31 131.22 2ys2 h LEU 11 Ca -0.09 0.03 -0.72 0.00 0.84 0.00 0.00 57.88 57.94 2ys2 h LEU 11 Cb 1.11 0.22 -0.34 0.00 0.37 0.00 0.00 40.66 42.02 2ys2 h LEU 11 CO 1.07 -0.54 -0.09 -0.76 -0.34 0.00 0.00 178.44 177.78 2ys2 s LEU 12 N -9.21 5.62 0.25 2.25 1.43 -1.26 -5.06 118.68 112.70 2ys2 s LEU 12 Ca -0.15 -3.50 -0.31 0.00 -1.03 0.00 0.00 54.13 49.15 2ys2 s LEU 12 Cb 0.01 -1.94 -0.13 0.00 0.03 0.00 0.00 46.19 44.16 2ys2 s LEU 12 CO 0.45 -0.25 1.39 1.33 0.23 0.00 0.00 176.35 179.51 2ys2 n VAL 13 N 2.67 1.03 -0.75 -1.59 0.24 -1.26 -4.92 118.33 113.74 2ys2 n VAL 13 Ca 0.19 -0.26 -0.32 0.00 -2.04 0.00 0.00 64.34 61.91 2ys2 n VAL 13 Cb 0.38 -1.47 0.14 0.00 -1.47 0.00 0.00 33.84 31.41 2ys2 n VAL 13 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2ys2 n LYS 14 N 1.92 -0.49 -4.12 7.34 4.01 -1.26 -5.04 118.16 120.52 2ys2 n LYS 14 Ca 0.11 -0.10 -0.12 0.00 -0.51 0.00 0.00 58.31 57.69 2ys2 n LYS 14 Cb 0.32 -1.95 -0.07 0.00 -0.51 0.00 0.00 35.03 32.82 2ys2 n LYS 14 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 2ys2 s TYR 15 N -2.43 0.93 -0.18 2.13 1.13 -1.26 -4.97 117.35 112.71 2ys2 s TYR 15 Ca 0.59 -1.17 -0.02 0.00 -1.41 0.00 0.00 57.07 55.05 2ys2 s TYR 15 Cb -0.21 -0.22 -0.01 0.00 -1.10 0.00 0.00 41.96 40.42 2ys2 s TYR 15 CO 0.65 -0.90 -0.08 -1.01 -2.51 0.00 0.00 175.55 171.71 2ys2 s HIS 16 N -3.78 2.91 0.00 -3.49 3.76 -1.26 -3.43 115.29 109.99 2ys2 s HIS 16 Ca 0.32 -0.76 -0.02 0.00 -0.15 0.00 0.00 55.06 54.44 2ys2 s HIS 16 Cb 0.02 -1.98 -0.11 0.00 1.11 0.00 0.00 32.58 31.62 2ys2 s HIS 16 CO 0.14 -0.36 2.65 -1.13 -0.85 0.00 0.00 174.74 175.20 2ys2 n SER 17 N 4.13 5.30 -3.26 1.40 3.41 -1.26 -4.80 113.62 118.54 2ys2 n SER 17 Ca -0.18 -2.44 -0.02 0.00 -0.26 0.00 0.00 58.87 55.97 2ys2 n SER 17 Cb 0.52 -1.24 0.02 0.00 -0.26 0.00 0.00 64.21 63.24 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 1.91 0.58 3.69 5.00 0.00 -1.26 -4.59 105.19 110.51 2ys2 n GLY 18 Ca 0.17 -1.13 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.26 2.81 -0.51 1.61 0.08 -1.26 -4.86 117.98 113.58 2ys2 s PHE 19 Ca 0.23 -0.19 -0.17 0.00 0.12 0.00 0.00 56.93 56.92 2ys2 s PHE 19 Cb -0.02 -1.25 0.09 0.00 -0.57 0.00 0.00 43.02 41.26 2ys2 s PHE 19 CO 0.04 0.59 0.51 0.12 -0.10 0.00 0.00 175.22 176.39 2ys2 s PHE 20 N -2.27 3.17 0.11 0.36 2.19 -1.26 -2.35 117.98 117.94 2ys2 s PHE 20 Ca 0.32 -0.94 0.07 0.00 0.33 0.00 0.00 56.93 56.71 2ys2 s PHE 20 Cb -0.07 -3.52 -0.04 0.00 -1.31 0.00 0.00 43.02 38.09 2ys2 s PHE 20 CO 0.21 -0.97 -0.17 0.08 1.83 0.00 0.00 175.22 176.20 2ys2 s VAL 21 N 1.99 1.50 -1.34 3.12 1.01 0.27 -4.78 120.40 122.17 2ys2 s VAL 21 Ca 0.07 -1.60 -0.07 0.00 0.00 0.00 0.00 61.98 60.38 2ys2 s VAL 21 Cb -0.25 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.66 2ys2 s VAL 21 CO 0.07 -0.23 1.11 0.47 0.00 0.00 0.00 175.10 176.52 2ys2 n ASP 22 N 0.86 -5.09 -2.87 3.32 9.92 -1.26 -1.76 116.55 119.67 2ys2 n ASP 22 Ca -0.18 -0.59 -0.21 0.00 -0.53 0.00 0.00 54.79 53.28 2ys2 n ASP 22 Cb 0.55 -4.90 0.01 0.00 -0.64 0.00 0.00 41.12 36.14 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 -1.77 -0.51 3.79 0.44 0.00 -1.26 -4.92 105.19 100.96 2ys2 n GLY 23 Ca -0.06 0.08 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 -5.53 1.29 0.67 1.61 1.02 -0.72 -4.90 119.74 113.17 2ys2 s LYS 24 Ca 0.21 -0.76 -0.02 0.00 0.02 0.00 0.00 55.97 55.43 2ys2 s LYS 24 Cb -0.10 0.41 0.09 0.00 -0.52 0.00 0.00 37.83 37.70 2ys2 s LYS 24 CO 0.27 -0.59 0.93 -0.06 -0.92 0.00 0.00 175.35 174.98 2ys2 s PHE 25 N -2.91 2.25 0.00 3.18 0.08 -1.26 0.97 117.98 120.29 2ys2 s PHE 25 Ca 0.15 -0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.16 2ys2 s PHE 25 Cb -0.02 -2.99 0.00 0.00 -0.57 0.00 0.00 43.02 39.44 2ys2 s PHE 25 CO 0.04 -1.41 0.00 1.28 -0.10 0.00 0.00 175.22 175.03 2ys2 n LEU 26 N -2.72 0.00 0.07 -0.37 4.77 -0.99 -3.85 117.00 113.91 2ys2 n LEU 26 Ca 0.11 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.88 2ys2 n LEU 26 Cb 0.60 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.58 2ys2 n LEU 26 CO 0.45 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.52 2ys2 n GLN 29 N -1.84 -7.28 -3.21 0.00 1.13 -1.25 -4.98 117.38 99.96 2ys2 n GLN 29 Ca -0.01 0.81 -0.39 0.00 -1.94 0.00 0.00 57.00 55.48 2ys2 n GLN 29 Cb 0.33 -5.79 -0.06 0.00 0.11 0.00 0.00 30.24 24.84 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 -5.92 4.27 -1.38 -1.09 -0.21 -1.26 -4.85 119.66 109.22 2ys2 s GLN 30 Ca 0.36 0.82 -0.14 0.00 0.02 0.00 0.00 55.36 56.42 2ys2 s GLN 30 Cb -0.16 -3.21 0.08 0.00 1.00 0.00 0.00 33.01 30.72 2ys2 s GLN 30 CO 0.71 0.61 2.03 0.43 -2.12 0.00 0.00 175.29 176.94 2ys2 n SER 31 N 1.60 4.39 -3.60 5.90 7.64 -1.26 -4.26 113.62 124.03 2ys2 n SER 31 Ca -0.09 -2.92 0.01 0.00 1.01 0.00 0.00 58.87 56.88 2ys2 n SER 31 Cb 0.50 -1.63 -0.06 0.00 -1.01 0.00 0.00 64.21 62.02 2ys2 n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ys2 h LYS 33 N 5.77 1.19 -0.75 0.00 3.64 -1.93 -2.39 116.57 122.10 2ys2 h LYS 33 Ca -0.25 -0.07 -0.44 0.00 -1.27 0.00 0.00 60.65 58.62 2ys2 h LYS 33 Cb 1.16 -0.27 -0.25 0.00 -0.41 0.00 0.00 32.23 32.47 2ys2 h LYS 33 CO 0.20 0.79 0.30 0.00 -2.27 0.00 0.00 179.45 178.47 2ys2 n ALA 34 N -2.35 5.26 -1.22 5.00 0.00 -1.26 -5.04 120.51 120.90 2ys2 n ALA 34 Ca 0.10 -3.19 -0.37 0.00 0.00 0.00 0.00 53.44 49.98 2ys2 n ALA 34 Cb 0.02 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.06 -2.72 -2.16 0.00 0.00 -0.90 -4.84 120.51 108.83 2ys2 n ALA 35 Ca 0.50 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 53.27 2ys2 n ALA 35 Cb 1.19 -1.58 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 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 -2.03 4.23 -0.37 0.00 0.04 -1.26 -4.86 135.00 130.76 2ys2 s PRO 36 Ca 0.58 2.01 -0.33 0.00 0.04 0.00 0.00 61.00 63.31 2ys2 s PRO 36 Cb -0.37 -3.76 -0.14 0.00 0.04 0.00 0.00 34.50 30.27 2ys2 s PRO 36 CO 0.65 -0.71 1.48 0.41 0.04 0.00 0.00 177.00 178.87 2ys2 n GLY 37 N 3.84 -0.04 0.21 0.56 0.00 -1.26 -4.78 105.19 103.71 2ys2 n GLY 37 Ca 0.15 0.81 -0.05 0.00 0.00 0.00 0.00 46.02 46.92 2ys2 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ys2 h THR 39 N 0.32 0.50 -0.74 0.00 2.02 -1.86 -3.43 112.91 109.71 2ys2 h THR 39 Ca 0.02 -0.06 -0.59 0.00 0.77 0.00 0.00 66.41 66.56 2ys2 h THR 39 Cb 0.92 0.32 0.04 0.00 -1.74 0.00 0.00 68.15 67.69 2ys2 h THR 39 CO 0.08 0.03 0.04 -0.11 0.37 0.00 0.00 175.52 175.93 2ys2 n LEU 40 N -4.38 -0.02 -0.20 2.58 0.00 -1.13 -4.79 117.00 109.07 2ys2 n LEU 40 Ca 0.23 0.86 -0.05 0.00 0.00 0.00 0.00 56.01 57.05 2ys2 n LEU 40 Cb 1.02 -0.68 -0.05 0.00 0.00 0.00 0.00 43.42 43.71 2ys2 n LEU 40 CO 0.34 -1.43 0.44 0.79 0.00 0.00 0.00 177.39 177.54 2ys2 n TRP 41 N 1.10 -0.21 -2.87 1.96 5.03 -1.26 -4.14 117.44 117.05 2ys2 n TRP 41 Ca 0.15 0.60 -0.41 0.00 3.03 0.00 0.00 57.50 60.86 2ys2 n TRP 41 Cb 0.06 -0.52 -0.04 0.00 -1.03 0.00 0.00 31.31 29.79 2ys2 n TRP 41 CO 0.00 0.00 0.00 -1.83 -0.03 0.00 0.00 177.69 175.83 2ys2 s GLU 42 N -4.29 4.43 -0.51 -0.99 -1.05 -1.26 -5.01 118.70 110.01 2ys2 s GLU 42 Ca -0.06 1.12 0.03 0.00 -0.15 0.00 0.00 54.97 55.91 2ys2 s GLU 42 Cb 0.05 -3.50 0.15 0.00 -0.44 0.00 0.00 34.13 30.40 2ys2 s GLU 42 CO 0.30 -0.12 0.33 0.00 0.95 0.00 0.00 175.26 176.72 2ys2 s ALA 43 N 1.37 2.47 -0.44 -0.84 0.00 -1.26 -5.04 121.76 118.02 2ys2 s ALA 43 Ca 0.43 -2.93 -0.44 0.00 0.00 0.00 0.00 51.96 49.02 2ys2 s ALA 43 Cb -0.18 -1.90 -0.18 0.00 0.00 0.00 0.00 23.12 20.85 2ys2 s ALA 43 CO 0.19 -2.05 1.75 2.48 0.00 0.00 0.00 175.76 178.13 2ys2 n TYR 44 N 2.93 1.73 -2.36 0.00 0.18 -1.26 -4.92 117.16 113.46 2ys2 n TYR 44 Ca 0.17 0.89 -0.25 0.00 1.88 0.00 0.00 57.90 60.59 2ys2 n TYR 44 Cb 0.38 -2.31 0.10 0.00 -0.38 0.00 0.00 39.34 37.12 2ys2 n TYR 44 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2ys2 s SER 45 N 3.84 4.45 -0.04 9.48 0.15 -1.26 -4.79 113.70 125.53 2ys2 s SER 45 Ca 1.06 0.06 -0.00 0.00 0.70 0.00 0.00 55.95 57.77 2ys2 s SER 45 Cb -1.36 -0.56 -0.00 0.00 -1.71 0.00 0.00 66.02 62.39 2ys2 s SER 45 CO 0.74 -1.80 0.03 0.61 1.20 0.00 0.00 173.24 174.02 2ys2 n GLY 46 N -2.94 -0.07 3.73 9.45 0.00 -1.26 -5.05 105.19 109.05 2ys2 n GLY 46 Ca 0.12 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.01 1.48 -0.04 1.61 0.04 -1.26 -5.08 135.00 128.74 2ys2 s PRO 47 Ca 0.00 0.89 -0.04 0.00 0.04 0.00 0.00 61.00 61.90 2ys2 s PRO 47 Cb -0.00 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.72 2ys2 s PRO 47 CO 0.03 -2.11 0.12 0.45 0.04 0.00 0.00 177.00 175.53 2ys2 s SER 48 N -3.42 -0.11 -0.78 6.66 0.15 -1.26 -5.07 113.70 109.87 2ys2 s SER 48 Ca 0.63 0.19 -0.25 0.00 0.70 0.00 0.00 55.95 57.22 2ys2 s SER 48 Cb -0.18 0.24 -0.15 0.00 -1.71 0.00 0.00 66.02 64.22 2ys2 s SER 48 CO 0.57 -0.07 2.40 -1.54 1.20 0.00 0.00 173.24 175.80 2ys2 n SER 49 N 2.88 1.61 0.00 5.45 3.41 -1.26 -5.17 113.62 120.54 2ys2 n SER 49 Ca -0.13 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.14 2ys2 n SER 49 Cb 0.59 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.96 2ys2 n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49