#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 3.90 0.19 1.61 1.04 -1.26 -4.97 113.70 114.22 2ys2 s SER 2 Ca 0.00 -2.79 -0.11 0.00 0.48 0.00 0.00 55.95 53.52 2ys2 s SER 2 Cb 0.00 -1.27 0.22 0.00 0.10 0.00 0.00 66.02 65.07 2ys2 s SER 2 CO 0.00 -0.25 1.74 -1.28 0.98 0.00 0.00 173.24 174.44 2ys2 h SER 3 N 6.61 0.19 -2.82 7.02 0.87 -2.12 -3.49 113.55 119.82 2ys2 h SER 3 Ca -0.03 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2ys2 h SER 3 Cb 0.91 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2ys2 h SER 3 CO 0.56 0.13 0.00 0.61 -0.53 0.00 0.00 176.83 177.60 2ys2 n GLY 4 N -1.28 -1.02 2.37 5.77 0.00 -1.26 -4.84 105.19 104.93 2ys2 n GLY 4 Ca 0.07 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.68 6.91 -4.96 1.61 3.41 -1.26 -5.00 113.62 113.65 2ys2 n SER 5 Ca 0.00 -3.79 -0.22 0.00 -0.26 0.00 0.00 58.87 54.61 2ys2 n SER 5 Cb 0.00 -0.83 0.03 0.00 -0.26 0.00 0.00 64.21 63.16 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 -2.19 5.38 -0.24 4.04 0.01 -1.26 -5.06 113.70 114.38 2ys2 s SER 6 Ca 0.59 0.10 -0.12 0.00 1.31 0.00 0.00 55.95 57.82 2ys2 s SER 6 Cb 0.47 -1.05 -0.10 0.00 0.21 0.00 0.00 66.02 65.55 2ys2 s SER 6 CO -0.08 -1.07 -0.31 0.61 0.41 0.00 0.00 173.24 172.80 2ys2 n GLY 7 N -2.32 -0.40 3.29 3.44 0.00 -1.26 -5.06 105.19 102.87 2ys2 n GLY 7 Ca 0.06 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 -7.12 -0.27 0.25 1.61 0.01 -1.26 -5.03 114.94 103.13 2ys2 s ASN 8 Ca -0.34 0.19 0.23 0.00 -0.71 0.00 0.00 52.86 52.23 2ys2 s ASN 8 Cb 0.13 0.35 0.98 0.00 0.41 0.00 0.00 41.25 43.11 2ys2 s ASN 8 CO 0.42 -0.48 1.70 -0.81 -1.51 0.00 0.00 177.10 176.43 2ys2 n PRO 9 N 1.19 0.19 -3.63 -0.60 -0.04 -1.26 -4.54 135.00 126.31 2ys2 n PRO 9 Ca -0.21 0.42 -0.39 0.00 -0.04 0.00 0.00 63.50 63.28 2ys2 n PRO 9 Cb 0.56 -1.87 -0.11 0.00 -0.04 0.00 0.00 33.50 32.04 2ys2 n PRO 9 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2ys2 s HIS 10 N -3.31 3.19 -0.04 0.54 -3.43 -1.26 -4.90 115.29 106.08 2ys2 s HIS 10 Ca 0.04 -0.57 0.03 0.00 -0.80 0.00 0.00 55.06 53.76 2ys2 s HIS 10 Cb 0.09 -2.38 -0.05 0.00 -1.43 0.00 0.00 32.58 28.82 2ys2 s HIS 10 CO 0.38 -0.46 0.01 -0.11 -2.00 0.00 0.00 174.74 172.56 2ys2 n LEU 11 N 5.00 0.11 -4.19 5.38 7.94 -1.26 -4.85 117.00 125.13 2ys2 n LEU 11 Ca -0.13 -0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.37 2ys2 n LEU 11 Cb 0.49 0.09 -0.04 0.00 0.53 0.00 0.00 43.42 44.48 2ys2 n LEU 11 CO 0.34 0.12 0.49 -0.76 -1.11 0.00 0.00 177.39 176.47 2ys2 s LEU 12 N -4.33 5.85 0.04 -1.96 1.02 -1.26 -5.04 118.68 113.01 2ys2 s LEU 12 Ca -0.02 -3.63 0.08 0.00 0.02 0.00 0.00 54.13 50.58 2ys2 s LEU 12 Cb 0.01 -2.02 -0.03 0.00 0.02 0.00 0.00 46.19 44.17 2ys2 s LEU 12 CO 0.16 -0.23 -0.22 0.54 0.02 0.00 0.00 176.35 176.61 2ys2 s VAL 13 N -1.24 2.45 0.45 -1.59 0.11 -1.26 -5.14 120.40 114.17 2ys2 s VAL 13 Ca 0.28 -1.28 0.05 0.00 -2.93 0.00 0.00 61.98 58.10 2ys2 s VAL 13 Cb -0.09 -1.99 -0.05 0.00 -1.53 0.00 0.00 36.38 32.72 2ys2 s VAL 13 CO -0.11 0.36 0.03 -0.54 -3.33 0.00 0.00 175.10 171.51 2ys2 s LYS 14 N -1.31 2.06 0.29 1.54 -0.14 -1.26 -5.15 119.74 115.77 2ys2 s LYS 14 Ca 0.13 -2.19 0.04 0.00 -1.36 0.00 0.00 55.97 52.59 2ys2 s LYS 14 Cb -0.10 -1.64 -0.03 0.00 -1.68 0.00 0.00 37.83 34.38 2ys2 s LYS 14 CO 0.03 -0.17 0.25 1.52 -0.76 0.00 0.00 175.35 176.23 2ys2 s TYR 15 N -2.76 1.52 -0.31 3.18 -0.85 -1.26 -4.84 117.35 112.02 2ys2 s TYR 15 Ca 0.26 -1.54 -0.04 0.00 -0.52 0.00 0.00 57.07 55.23 2ys2 s TYR 15 Cb 0.07 -0.61 0.04 0.00 0.38 0.00 0.00 41.96 41.84 2ys2 s TYR 15 CO 0.13 -0.83 0.04 -1.01 -1.52 0.00 0.00 175.55 172.37 2ys2 s HIS 16 N -3.63 3.25 0.00 -3.49 3.76 -1.26 -3.52 115.29 110.40 2ys2 s HIS 16 Ca 0.39 -1.68 -0.03 0.00 -0.15 0.00 0.00 55.06 53.60 2ys2 s HIS 16 Cb 0.03 -2.17 -0.12 0.00 1.11 0.00 0.00 32.58 31.43 2ys2 s HIS 16 CO 0.22 -0.77 2.69 -1.13 -0.85 0.00 0.00 174.74 174.90 2ys2 n SER 17 N 4.70 5.17 0.00 1.40 3.41 -1.26 -4.76 113.62 122.28 2ys2 n SER 17 Ca -0.13 -2.41 0.00 0.00 -0.26 0.00 0.00 58.87 56.07 2ys2 n SER 17 Cb 0.44 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 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 1.97 4.63 3.31 5.00 0.00 -1.26 -4.71 105.19 114.13 2ys2 n GLY 18 Ca 0.19 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 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 0.25 1.55 -0.45 1.61 0.08 -1.26 -4.91 117.98 114.84 2ys2 s PHE 19 Ca 0.00 -1.36 0.02 0.00 0.12 0.00 0.00 56.93 55.71 2ys2 s PHE 19 Cb 0.00 -0.82 0.12 0.00 -0.57 0.00 0.00 43.02 41.75 2ys2 s PHE 19 CO 0.00 -0.53 0.19 0.12 -0.10 0.00 0.00 175.22 174.90 2ys2 s PHE 20 N -3.68 3.50 0.01 0.36 5.36 -1.26 -1.82 117.98 120.44 2ys2 s PHE 20 Ca 0.37 -2.95 0.07 0.00 -0.96 0.00 0.00 56.93 53.46 2ys2 s PHE 20 Cb 0.05 -2.97 -0.02 0.00 -0.34 0.00 0.00 43.02 39.75 2ys2 s PHE 20 CO 0.17 -0.87 -0.22 0.08 -1.46 0.00 0.00 175.22 172.92 2ys2 s VAL 21 N 0.40 1.74 -1.48 3.12 1.01 -0.37 -4.71 120.40 120.13 2ys2 s VAL 21 Ca 0.13 -1.09 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 2ys2 s VAL 21 Cb -0.22 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.70 2ys2 s VAL 21 CO -0.04 0.36 0.54 -0.67 0.00 0.00 0.00 175.10 175.29 2ys2 n ASP 22 N 2.18 -5.40 -0.57 3.32 -0.08 -1.26 -0.51 116.55 114.23 2ys2 n ASP 22 Ca -0.16 -0.29 -0.07 0.00 -1.51 0.00 0.00 54.79 52.75 2ys2 n ASP 22 Cb 0.53 -4.39 -0.03 0.00 2.34 0.00 0.00 41.12 39.57 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 -1.40 0.79 3.04 0.27 0.00 -1.26 -4.96 105.19 101.68 2ys2 n GLY 23 Ca -0.09 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.43 0.59 0.67 1.61 -0.14 0.33 -4.79 119.74 115.57 2ys2 s LYS 24 Ca 0.00 -0.51 -0.12 0.00 -1.36 0.00 0.00 55.97 53.98 2ys2 s LYS 24 Cb 0.00 -0.50 -0.01 0.00 -1.68 0.00 0.00 37.83 35.64 2ys2 s LYS 24 CO 0.00 0.12 1.05 -0.06 -0.76 0.00 0.00 175.35 175.71 2ys2 s PHE 25 N -0.71 3.13 -0.04 3.18 0.08 -1.26 -1.23 117.98 121.13 2ys2 s PHE 25 Ca -0.02 1.43 0.15 0.00 0.12 0.00 0.00 56.93 58.61 2ys2 s PHE 25 Cb -0.06 -2.89 -0.23 0.00 -0.57 0.00 0.00 43.02 39.26 2ys2 s PHE 25 CO 0.00 -1.15 0.30 1.28 -0.10 0.00 0.00 175.22 175.55 2ys2 n LEU 26 N -2.85 0.00 -0.02 -0.37 7.99 -0.76 -2.82 117.00 118.17 2ys2 n LEU 26 Ca 0.08 0.00 -0.16 0.00 -0.01 0.00 0.00 56.01 55.91 2ys2 n LEU 26 Cb 0.53 0.06 -0.14 0.00 -0.11 0.00 0.00 43.42 43.77 2ys2 n LEU 26 CO 0.54 0.06 0.24 0.00 -1.51 0.00 0.00 177.39 176.73 2ys2 n GLN 29 N -2.04 -7.34 -0.41 0.00 6.02 -1.13 -4.98 117.38 107.51 2ys2 n GLN 29 Ca -0.05 0.82 -0.31 0.00 -0.01 0.00 0.00 57.00 57.45 2ys2 n GLN 29 Cb 0.52 -5.85 0.29 0.00 1.02 0.00 0.00 30.24 26.22 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 -5.99 -3.00 -0.16 -1.09 -1.52 -1.26 -4.77 119.66 101.88 2ys2 s GLN 30 Ca 0.37 0.06 -0.23 0.00 -1.95 0.00 0.00 55.36 53.61 2ys2 s GLN 30 Cb -0.17 -1.38 -0.24 0.00 -0.22 0.00 0.00 33.01 31.01 2ys2 s GLN 30 CO 0.74 -4.90 0.50 1.03 -0.25 0.00 0.00 175.29 172.41 2ys2 h SER 31 N -3.44 0.09 -2.58 5.90 0.87 -1.96 -3.41 113.55 109.03 2ys2 h SER 31 Ca -0.42 -0.77 -0.45 0.00 -1.23 0.00 0.00 61.79 58.92 2ys2 h SER 31 Cb 1.34 -0.03 0.03 0.00 -0.44 0.00 0.00 62.40 63.30 2ys2 h SER 31 CO 0.26 1.34 -0.11 0.00 -0.53 0.00 0.00 176.83 177.79 2ys2 h LYS 33 N 0.38 0.22 -1.79 0.00 3.11 -1.92 -3.34 116.57 113.23 2ys2 h LYS 33 Ca -0.45 -0.37 -0.22 0.00 -2.81 0.00 0.00 60.65 56.80 2ys2 h LYS 33 Cb 1.26 0.14 -0.09 0.00 -1.00 0.00 0.00 32.23 32.54 2ys2 h LYS 33 CO 0.55 1.18 0.19 0.00 -2.81 0.00 0.00 179.45 178.56 2ys2 n ALA 34 N -2.82 5.06 -1.51 5.00 0.00 -1.26 -4.94 120.51 120.04 2ys2 n ALA 34 Ca -0.19 -1.30 -0.31 0.00 0.00 0.00 0.00 53.44 51.64 2ys2 n ALA 34 Cb 0.79 -1.45 0.06 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.89 2.59 0.28 0.00 0.00 -1.25 -5.00 121.76 117.49 2ys2 s ALA 35 Ca 0.28 0.15 -0.29 0.00 0.00 0.00 0.00 51.96 52.10 2ys2 s ALA 35 Cb 0.19 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 20.01 2ys2 s ALA 35 CO -0.03 -1.31 1.25 -1.25 0.00 0.00 0.00 175.76 174.42 2ys2 s PRO 36 N -4.94 4.44 0.12 0.00 0.04 -1.26 -4.91 135.00 128.49 2ys2 s PRO 36 Ca 0.59 2.06 -0.22 0.00 0.04 0.00 0.00 61.00 63.47 2ys2 s PRO 36 Cb -0.15 -3.14 -0.13 0.00 0.04 0.00 0.00 34.50 31.13 2ys2 s PRO 36 CO 0.54 -0.10 0.44 0.41 0.04 0.00 0.00 177.00 178.33 2ys2 n GLY 37 N 1.37 -1.08 0.13 0.56 0.00 -1.26 -4.89 105.19 100.01 2ys2 n GLY 37 Ca 0.02 0.30 -0.19 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.53 3.43 0.14 0.00 2.01 -1.23 -4.94 115.64 112.52 2ys2 s THR 39 Ca -0.32 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.31 2ys2 s THR 39 Cb 0.08 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 2ys2 s THR 39 CO 0.64 -0.90 0.28 -0.22 -0.69 0.00 0.00 174.62 173.73 2ys2 s LEU 40 N 10.41 4.34 -1.07 4.42 0.20 -1.26 -4.60 118.68 131.12 2ys2 s LEU 40 Ca 0.71 0.19 -0.24 0.00 0.69 0.00 0.00 54.13 55.48 2ys2 s LEU 40 Cb -0.06 -2.92 -0.09 0.00 -0.43 0.00 0.00 46.19 42.68 2ys2 s LEU 40 CO 0.01 0.07 1.97 0.86 -0.29 0.00 0.00 176.35 178.97 2ys2 s TRP 41 N -1.71 1.82 0.14 5.38 -0.11 -1.26 -4.85 118.94 118.35 2ys2 s TRP 41 Ca 0.35 0.72 -0.10 0.00 1.22 0.00 0.00 56.10 58.28 2ys2 s TRP 41 Cb -0.11 -3.94 0.00 0.00 -1.50 0.00 0.00 33.47 27.92 2ys2 s TRP 41 CO 0.28 -1.35 0.29 -1.21 -4.62 0.00 0.00 176.95 170.35 2ys2 s GLU 42 N 6.89 1.08 -0.15 5.86 0.41 -1.26 -5.18 118.70 126.35 2ys2 s GLU 42 Ca 0.71 -1.04 -0.29 0.00 -0.41 0.00 0.00 54.97 53.94 2ys2 s GLU 42 Cb -0.03 0.39 0.08 0.00 -1.78 0.00 0.00 34.13 32.79 2ys2 s GLU 42 CO 0.09 -0.39 0.75 0.00 -0.49 0.00 0.00 175.26 175.22 2ys2 s ALA 43 N -3.91 -1.80 -0.02 5.21 0.00 -1.26 -5.07 121.76 114.90 2ys2 s ALA 43 Ca 0.12 1.62 -0.26 0.00 0.00 0.00 0.00 51.96 53.44 2ys2 s ALA 43 Cb 0.03 -0.56 -0.20 0.00 0.00 0.00 0.00 23.12 22.39 2ys2 s ALA 43 CO -0.05 -0.34 1.24 0.10 0.00 0.00 0.00 175.76 176.71 2ys2 h TYR 44 N 3.69 0.05 -3.30 0.00 -0.00 -2.03 -3.44 116.97 111.95 2ys2 h TYR 44 Ca -0.27 -0.02 -0.57 0.00 0.00 0.00 0.00 58.73 57.88 2ys2 h TYR 44 Cb 1.15 -0.01 -0.04 0.00 0.00 0.00 0.00 36.73 37.83 2ys2 h TYR 44 CO 0.37 0.56 0.01 -1.12 -0.00 0.00 0.00 178.16 177.97 2ys2 s SER 45 N -5.79 7.09 0.00 0.10 0.01 -1.26 -5.04 113.70 108.82 2ys2 s SER 45 Ca -0.16 1.29 0.00 0.00 1.31 0.00 0.00 55.95 58.39 2ys2 s SER 45 Cb 0.02 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2ys2 s SER 45 CO 0.69 0.21 0.00 0.61 0.41 0.00 0.00 173.24 175.16 2ys2 n GLY 46 N 1.92 1.87 3.56 3.44 0.00 -1.26 -5.07 105.19 109.66 2ys2 n GLY 46 Ca -0.09 -0.79 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.00 2.54 0.42 1.61 0.04 -1.26 -4.94 135.00 131.41 2ys2 s PRO 47 Ca 0.00 -0.44 -0.19 0.00 0.04 0.00 0.00 61.00 60.41 2ys2 s PRO 47 Cb 0.00 -5.09 -0.15 0.00 0.04 0.00 0.00 34.50 29.30 2ys2 s PRO 47 CO 0.00 -3.49 0.01 0.43 0.04 0.00 0.00 177.00 173.99 2ys2 n SER 48 N 14.06 -3.02 -4.74 6.66 7.64 -1.26 -4.90 113.62 128.06 2ys2 n SER 48 Ca 0.41 0.72 -0.37 0.00 1.01 0.00 0.00 58.87 60.65 2ys2 n SER 48 Cb 0.47 -0.83 -0.07 0.00 -1.01 0.00 0.00 64.21 62.77 2ys2 n SER 48 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ys2 s SER 49 N -0.96 6.51 0.00 6.43 1.04 -1.26 -5.32 113.70 120.14 2ys2 s SER 49 Ca 0.56 0.60 0.15 0.00 0.48 0.00 0.00 55.95 57.74 2ys2 s SER 49 Cb -0.56 -2.21 0.12 0.00 0.10 0.00 0.00 66.02 63.47 2ys2 s SER 49 CO 0.61 0.10 0.97 0.61 0.98 0.00 0.00 173.24 176.51