#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 -1.25 -4.46 1.61 7.64 -1.26 -4.97 113.62 110.94 2ys2 n SER 2 Ca 0.00 1.06 -0.26 0.00 1.01 0.00 0.00 58.87 60.68 2ys2 n SER 2 Cb 0.00 -0.90 -0.11 0.00 -1.01 0.00 0.00 64.21 62.19 2ys2 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ys2 s SER 3 N -0.95 3.59 0.00 6.43 1.04 -1.26 -5.05 113.70 117.50 2ys2 s SER 3 Ca 0.60 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 56.14 2ys2 s SER 3 Cb -0.87 -0.32 0.00 0.00 0.10 0.00 0.00 66.02 64.93 2ys2 s SER 3 CO 0.53 0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.45 2ys2 n GLY 4 N -0.08 0.00 3.69 7.32 0.00 -1.26 -5.04 105.19 109.82 2ys2 n GLY 4 Ca -0.10 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.33 2ys2 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ys2 n SER 5 N -2.22 2.06 -4.30 1.61 3.41 -1.26 -4.94 113.62 107.97 2ys2 n SER 5 Ca 0.00 1.05 -0.22 0.00 -0.26 0.00 0.00 58.87 59.44 2ys2 n SER 5 Cb 0.33 -1.08 -0.12 0.00 -0.26 0.00 0.00 64.21 63.08 2ys2 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2ys2 s SER 6 N 3.74 2.52 0.00 4.04 0.01 -1.26 -5.09 113.70 117.67 2ys2 s SER 6 Ca 1.01 -0.78 0.00 0.00 1.31 0.00 0.00 55.95 57.50 2ys2 s SER 6 Cb -1.17 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 64.92 2ys2 s SER 6 CO 0.69 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.94 2ys2 n GLY 7 N 0.68 0.61 3.01 3.44 0.00 -1.26 -4.86 105.19 106.81 2ys2 n GLY 7 Ca -0.16 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.24 5.40 0.00 1.61 2.20 -1.26 -4.90 114.94 116.75 2ys2 s ASN 8 Ca 0.00 -3.72 0.11 0.00 -0.94 0.00 0.00 52.86 48.32 2ys2 s ASN 8 Cb 0.00 -1.78 0.68 0.00 -2.00 0.00 0.00 41.25 38.15 2ys2 s ASN 8 CO 0.00 -0.15 1.11 -0.81 -2.94 0.00 0.00 177.10 174.31 2ys2 n PRO 9 N 2.25 0.49 -1.82 3.55 -0.04 -1.26 -2.98 135.00 135.19 2ys2 n PRO 9 Ca 0.19 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.36 2ys2 n PRO 9 Cb 0.36 -1.37 0.04 0.00 -0.04 0.00 0.00 33.50 32.49 2ys2 n PRO 9 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2ys2 n HIS 10 N -0.87 2.99 0.16 0.54 1.44 -1.26 -4.80 115.22 113.43 2ys2 n HIS 10 Ca 0.09 -2.58 -0.14 0.00 -2.01 0.00 0.00 57.72 53.07 2ys2 n HIS 10 Cb 0.04 -0.74 -0.07 0.00 0.12 0.00 0.00 29.99 29.34 2ys2 n HIS 10 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2ys2 h LEU 11 N 2.20 -0.90 -7.85 2.39 5.85 -1.98 -3.38 115.31 111.64 2ys2 h LEU 11 Ca 0.46 0.09 -0.67 0.00 0.84 0.00 0.00 57.88 58.60 2ys2 h LEU 11 Cb 1.15 0.32 -0.37 0.00 0.37 0.00 0.00 40.66 42.13 2ys2 h LEU 11 CO 1.09 -0.43 -0.73 -1.48 -0.34 0.00 0.00 178.44 176.54 2ys2 s LEU 12 N -10.25 4.08 0.15 2.25 2.34 -1.26 -5.08 118.68 110.91 2ys2 s LEU 12 Ca -0.16 -1.65 -0.19 0.00 0.06 0.00 0.00 54.13 52.19 2ys2 s LEU 12 Cb 0.07 -1.63 0.05 0.00 -0.56 0.00 0.00 46.19 44.11 2ys2 s LEU 12 CO 0.64 -0.29 0.49 0.54 -1.06 0.00 0.00 176.35 176.67 2ys2 s VAL 13 N 1.08 0.04 -0.15 1.48 0.11 -1.26 -5.01 120.40 116.68 2ys2 s VAL 13 Ca -0.01 -0.41 -0.37 0.00 -2.93 0.00 0.00 61.98 58.27 2ys2 s VAL 13 Cb -0.20 -1.18 -0.13 0.00 -1.53 0.00 0.00 36.38 33.34 2ys2 s VAL 13 CO -0.05 -0.17 1.80 0.29 -3.33 0.00 0.00 175.10 173.64 2ys2 n LYS 14 N -0.30 1.75 -4.51 1.54 5.02 -1.26 -4.86 118.16 115.54 2ys2 n LYS 14 Ca -0.15 0.64 -0.25 0.00 -2.02 0.00 0.00 58.31 56.53 2ys2 n LYS 14 Cb 0.64 -2.41 -0.09 0.00 -0.02 0.00 0.00 35.03 33.15 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 3.63 1.83 -0.32 2.13 -0.85 -0.96 -3.92 117.35 118.89 2ys2 s TYR 15 Ca 0.94 -1.19 -0.07 0.00 -0.52 0.00 0.00 57.07 56.24 2ys2 s TYR 15 Cb -0.85 -1.21 0.03 0.00 0.38 0.00 0.00 41.96 40.31 2ys2 s TYR 15 CO 0.56 -0.20 0.11 -1.01 -1.52 0.00 0.00 175.55 173.49 2ys2 s HIS 16 N -3.23 3.21 -0.07 -3.49 3.76 -1.26 -2.84 115.29 111.37 2ys2 s HIS 16 Ca 0.26 -1.18 -0.00 0.00 -0.15 0.00 0.00 55.06 53.98 2ys2 s HIS 16 Cb 0.04 -2.29 0.03 0.00 1.11 0.00 0.00 32.58 31.48 2ys2 s HIS 16 CO 0.14 -0.66 2.08 0.45 -0.85 0.00 0.00 174.74 175.90 2ys2 n SER 17 N 4.86 5.58 -3.76 1.40 2.88 -1.26 -4.82 113.62 118.50 2ys2 n SER 17 Ca -0.13 -2.55 -0.04 0.00 -1.33 0.00 0.00 58.87 54.82 2ys2 n SER 17 Cb 0.46 -1.13 -0.01 0.00 -0.75 0.00 0.00 64.21 62.78 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 1.62 -0.21 0.53 0.46 0.00 -1.26 -4.58 107.32 103.89 2ys2 s GLY 18 Ca 0.10 0.07 0.07 0.00 0.00 0.00 0.00 44.72 44.95 2ys2 s GLY 18 CO -0.00 0.01 0.73 -1.36 0.00 0.00 0.00 173.10 172.47 2ys2 s PHE 19 N -3.34 2.14 -0.41 1.90 0.40 -1.26 -4.77 117.98 112.64 2ys2 s PHE 19 Ca 0.12 -0.46 -0.04 0.00 -0.60 0.00 0.00 56.93 55.95 2ys2 s PHE 19 Cb -0.02 -2.43 0.10 0.00 0.51 0.00 0.00 43.02 41.18 2ys2 s PHE 19 CO 0.03 -0.91 0.21 0.12 0.70 0.00 0.00 175.22 175.37 2ys2 s PHE 20 N -2.61 3.51 0.07 0.36 2.19 -1.26 -1.43 117.98 118.81 2ys2 s PHE 20 Ca 0.59 -2.21 0.06 0.00 0.33 0.00 0.00 56.93 55.70 2ys2 s PHE 20 Cb -0.08 -3.14 -0.03 0.00 -1.31 0.00 0.00 43.02 38.47 2ys2 s PHE 20 CO 0.37 -0.95 -0.15 0.08 1.83 0.00 0.00 175.22 176.40 2ys2 s VAL 21 N 1.21 1.21 -1.15 3.12 1.01 -0.34 -4.80 120.40 120.65 2ys2 s VAL 21 Ca 0.06 -1.26 -0.06 0.00 0.00 0.00 0.00 61.98 60.72 2ys2 s VAL 21 Cb -0.23 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 35.03 2ys2 s VAL 21 CO -0.03 -0.14 1.00 -0.67 0.00 0.00 0.00 175.10 175.27 2ys2 n ASP 22 N 1.42 -5.17 -3.68 3.32 -0.08 -1.26 -2.42 116.55 108.68 2ys2 n ASP 22 Ca -0.20 -0.48 -0.28 0.00 -1.51 0.00 0.00 54.79 52.32 2ys2 n ASP 22 Cb 0.54 -4.44 0.03 0.00 2.34 0.00 0.00 41.12 39.58 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 -1.70 -0.50 3.62 0.27 0.00 -1.26 -4.94 105.19 100.68 2ys2 n GLY 23 Ca -0.04 0.17 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 -6.38 0.30 0.89 1.61 -2.85 -1.01 -4.99 119.74 107.31 2ys2 s LYS 24 Ca 0.57 0.14 -0.12 0.00 -1.00 0.00 0.00 55.97 55.57 2ys2 s LYS 24 Cb -0.28 0.14 0.13 0.00 -2.06 0.00 0.00 37.83 35.76 2ys2 s LYS 24 CO 0.70 -0.08 1.09 -0.06 0.10 0.00 0.00 175.35 177.11 2ys2 s PHE 25 N -0.71 2.37 -0.14 1.78 0.08 -1.26 -1.20 117.98 118.90 2ys2 s PHE 25 Ca 0.04 1.20 0.07 0.00 0.12 0.00 0.00 56.93 58.37 2ys2 s PHE 25 Cb -0.02 -3.17 -0.13 0.00 -0.57 0.00 0.00 43.02 39.12 2ys2 s PHE 25 CO -0.06 -2.36 -0.03 1.28 -0.10 0.00 0.00 175.22 173.95 2ys2 n LEU 26 N -3.85 1.21 -0.04 -0.37 7.99 -0.51 -3.04 117.00 118.39 2ys2 n LEU 26 Ca 0.07 -0.04 -0.12 0.00 -0.01 0.00 0.00 56.01 55.91 2ys2 n LEU 26 Cb 0.56 -0.04 -0.07 0.00 -0.11 0.00 0.00 43.42 43.75 2ys2 n LEU 26 CO 0.56 0.50 0.70 0.00 -1.51 0.00 0.00 177.39 177.64 2ys2 n GLN 29 N -2.70 -4.62 -2.01 0.00 6.02 -1.17 -5.00 117.38 107.90 2ys2 n GLN 29 Ca -0.18 0.54 -0.29 0.00 -0.01 0.00 0.00 57.00 57.06 2ys2 n GLN 29 Cb 0.71 -4.66 0.16 0.00 1.02 0.00 0.00 30.24 27.48 2ys2 n GLN 29 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2ys2 s GLN 30 N -5.30 0.98 -0.56 -1.09 -0.21 -1.26 -4.79 119.66 107.43 2ys2 s GLN 30 Ca 0.17 -0.41 0.02 0.00 0.02 0.00 0.00 55.36 55.15 2ys2 s GLN 30 Cb -0.07 -1.92 0.42 0.00 1.00 0.00 0.00 33.01 32.43 2ys2 s GLN 30 CO 0.47 -2.16 1.58 0.45 -2.12 0.00 0.00 175.29 173.50 2ys2 n SER 31 N -3.58 6.18 -3.69 5.90 2.88 -1.26 -4.37 113.62 115.68 2ys2 n SER 31 Ca 0.14 -3.77 -0.10 0.00 -1.33 0.00 0.00 58.87 53.81 2ys2 n SER 31 Cb 0.60 -0.71 -0.10 0.00 -0.75 0.00 0.00 64.21 63.25 2ys2 n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ys2 h LYS 33 N 7.24 0.14 -1.39 0.00 1.79 -1.97 -3.10 116.57 119.28 2ys2 h LYS 33 Ca -0.34 -0.06 -0.35 0.00 -2.18 0.00 0.00 60.65 57.72 2ys2 h LYS 33 Cb 1.18 -0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.67 2ys2 h LYS 33 CO 0.27 0.51 0.45 0.00 -1.08 0.00 0.00 179.45 179.60 2ys2 n ALA 34 N -2.34 5.09 -1.79 3.86 0.00 -1.26 -4.96 120.51 119.11 2ys2 n ALA 34 Ca -0.07 -1.82 -0.35 0.00 0.00 0.00 0.00 53.44 51.20 2ys2 n ALA 34 Cb 0.25 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.01 2.89 1.05 0.00 0.00 -1.17 -5.04 121.76 117.47 2ys2 s ALA 35 Ca 0.34 0.65 -0.14 0.00 0.00 0.00 0.00 51.96 52.82 2ys2 s ALA 35 Cb 0.27 -3.27 0.21 0.00 0.00 0.00 0.00 23.12 20.34 2ys2 s ALA 35 CO 0.01 -0.34 1.10 -1.25 0.00 0.00 0.00 175.76 175.27 2ys2 s PRO 36 N -3.10 0.01 -0.49 0.00 0.04 -1.26 -4.91 135.00 125.29 2ys2 s PRO 36 Ca 0.66 0.37 -0.28 0.00 0.04 0.00 0.00 61.00 61.80 2ys2 s PRO 36 Cb -0.18 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 2ys2 s PRO 36 CO 0.22 -2.98 1.71 0.20 0.04 0.00 0.00 177.00 176.19 2ys2 s GLY 37 N -3.54 0.62 0.40 0.56 0.00 -1.25 -4.85 107.32 99.25 2ys2 s GLY 37 Ca 0.67 -0.30 0.18 0.00 0.00 0.00 0.00 44.72 45.27 2ys2 s GLY 37 CO 0.57 3.19 1.77 0.00 0.00 0.00 0.00 173.10 178.64 2ys2 s THR 39 N -5.49 5.25 0.33 0.00 -4.23 -1.13 -5.01 115.64 105.36 2ys2 s THR 39 Ca -0.09 -0.42 -0.15 0.00 -1.18 0.00 0.00 61.69 59.85 2ys2 s THR 39 Cb 0.25 -3.72 0.03 0.00 1.34 0.00 0.00 72.50 70.40 2ys2 s THR 39 CO 0.80 -0.11 0.67 -1.48 -0.54 0.00 0.00 174.62 173.95 2ys2 s LEU 40 N -3.19 0.13 0.31 4.79 2.34 -1.26 -2.26 118.68 119.54 2ys2 s LEU 40 Ca 0.37 -1.01 -0.25 0.00 0.06 0.00 0.00 54.13 53.31 2ys2 s LEU 40 Cb -0.11 2.42 -0.15 0.00 -0.56 0.00 0.00 46.19 47.79 2ys2 s LEU 40 CO 0.29 -1.44 0.44 -2.67 -1.06 0.00 0.00 176.35 171.91 2ys2 n TRP 41 N -0.49 -0.81 -3.65 3.48 2.14 -1.26 -4.98 117.44 111.87 2ys2 n TRP 41 Ca -0.05 0.77 -0.22 0.00 2.07 0.00 0.00 57.50 60.07 2ys2 n TRP 41 Cb 0.60 -1.94 -0.18 0.00 -0.81 0.00 0.00 31.31 28.99 2ys2 n TRP 41 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 2ys2 s GLU 42 N -1.17 -0.02 -0.06 -2.67 0.41 -1.26 -5.04 118.70 108.89 2ys2 s GLU 42 Ca 0.62 0.20 -0.20 0.00 -0.41 0.00 0.00 54.97 55.18 2ys2 s GLU 42 Cb -0.75 -1.02 -0.15 0.00 -1.78 0.00 0.00 34.13 30.42 2ys2 s GLU 42 CO 0.59 -0.46 0.81 0.00 -0.49 0.00 0.00 175.26 175.71 2ys2 h ALA 43 N 8.43 -0.19 -3.25 5.21 0.00 -2.08 -3.44 119.26 123.94 2ys2 h ALA 43 Ca -0.13 -0.23 -0.59 0.00 0.00 0.00 0.00 54.91 53.96 2ys2 h ALA 43 Cb 1.13 0.07 -0.35 0.00 0.00 0.00 0.00 17.79 18.65 2ys2 h ALA 43 CO 0.20 -0.26 -0.84 0.71 0.00 0.00 0.00 179.25 179.07 2ys2 s TYR 44 N -3.22 2.02 -0.02 0.00 1.51 -1.26 -5.12 117.35 111.26 2ys2 s TYR 44 Ca -0.12 -0.98 -0.18 0.00 -1.01 0.00 0.00 57.07 54.78 2ys2 s TYR 44 Cb 0.00 -1.46 -0.05 0.00 -0.11 0.00 0.00 41.96 40.34 2ys2 s TYR 44 CO 0.46 -0.51 0.51 -1.12 -1.11 0.00 0.00 175.55 173.78 2ys2 s SER 45 N 1.05 6.87 -0.22 2.29 0.01 -1.26 -5.07 113.70 117.37 2ys2 s SER 45 Ca -0.05 1.04 -0.27 0.00 1.31 0.00 0.00 55.95 57.98 2ys2 s SER 45 Cb -0.15 -2.31 0.11 0.00 0.21 0.00 0.00 66.02 63.88 2ys2 s SER 45 CO -0.03 0.17 0.91 -0.83 0.41 0.00 0.00 173.24 173.87 2ys2 s GLY 46 N -0.39 -0.32 -0.90 3.44 0.00 -1.26 -5.09 107.32 102.80 2ys2 s GLY 46 Ca 0.27 2.21 -0.25 0.00 0.00 0.00 0.00 44.72 46.95 2ys2 s GLY 46 CO 0.15 1.51 1.95 2.56 0.00 0.00 0.00 173.10 179.26 2ys2 s PRO 47 N -0.24 2.55 0.09 2.90 0.04 -1.26 -4.96 135.00 134.12 2ys2 s PRO 47 Ca -0.01 -0.27 -0.10 0.00 0.04 0.00 0.00 61.00 60.66 2ys2 s PRO 47 Cb -0.03 -5.05 -0.06 0.00 0.04 0.00 0.00 34.50 29.40 2ys2 s PRO 47 CO -0.01 -3.37 0.42 0.45 0.04 0.00 0.00 177.00 174.54 2ys2 s SER 48 N 8.04 6.66 -0.22 6.66 0.15 -1.26 -5.08 113.70 128.65 2ys2 s SER 48 Ca 0.70 0.83 -0.06 0.00 0.70 0.00 0.00 55.95 58.12 2ys2 s SER 48 Cb -0.07 -2.19 0.11 0.00 -1.71 0.00 0.00 66.02 62.16 2ys2 s SER 48 CO -0.00 0.16 0.43 -0.44 1.20 0.00 0.00 173.24 174.58 2ys2 s SER 49 N -1.77 -0.23 0.00 5.45 0.01 -1.26 -5.33 113.70 110.57 2ys2 s SER 49 Ca 0.34 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.44 2ys2 s SER 49 Cb -0.14 1.38 0.00 0.00 0.21 0.00 0.00 66.02 67.47 2ys2 s SER 49 CO 0.18 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.20