#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 6.22 -0.17 1.61 0.01 -1.26 -5.06 113.70 115.06 2ys2 s SER 2 Ca 0.00 0.52 -0.17 0.00 1.31 0.00 0.00 55.95 57.61 2ys2 s SER 2 Cb 0.00 -2.01 -0.06 0.00 0.21 0.00 0.00 66.02 64.17 2ys2 s SER 2 CO 0.00 -0.41 -0.33 -0.24 0.41 0.00 0.00 173.24 172.68 2ys2 n SER 3 N -1.92 1.90 0.00 2.44 2.88 -1.26 -5.07 113.62 112.59 2ys2 n SER 3 Ca -0.03 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 2ys2 n SER 3 Cb 0.56 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.27 2ys2 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ys2 n GLY 4 N 1.48 1.15 3.88 0.46 0.00 -1.26 -4.75 105.19 106.16 2ys2 n GLY 4 Ca -0.13 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 -4.00 5.24 -0.11 1.61 1.04 -1.26 -5.07 113.70 111.15 2ys2 s SER 5 Ca 0.00 1.07 0.00 0.00 0.48 0.00 0.00 55.95 57.51 2ys2 s SER 5 Cb 0.00 -1.81 -0.02 0.00 0.10 0.00 0.00 66.02 64.29 2ys2 s SER 5 CO 0.00 -1.47 -0.11 -0.44 0.98 0.00 0.00 173.24 172.20 2ys2 s SER 6 N -4.38 4.22 0.00 7.02 0.01 -1.26 -5.05 113.70 114.25 2ys2 s SER 6 Ca 0.59 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2ys2 s SER 6 Cb -0.11 -1.39 0.00 0.00 0.21 0.00 0.00 66.02 64.73 2ys2 s SER 6 CO 0.51 0.24 0.00 0.61 0.41 0.00 0.00 173.24 175.01 2ys2 n GLY 7 N 3.05 -0.38 2.67 3.44 0.00 -1.26 -5.05 105.19 107.66 2ys2 n GLY 7 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 2ys2 n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ys2 n ASN 8 N -1.87 -3.43 0.00 1.61 5.15 -1.26 -4.88 115.26 110.58 2ys2 n ASN 8 Ca 0.00 -0.45 0.07 0.00 -0.60 0.00 0.00 54.58 53.60 2ys2 n ASN 8 Cb 0.00 -3.67 0.39 0.00 -0.53 0.00 0.00 39.78 35.97 2ys2 n ASN 8 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2ys2 n PRO 9 N -2.92 0.49 -1.92 1.20 -0.04 -1.26 -4.80 135.00 125.75 2ys2 n PRO 9 Ca -0.13 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.91 2ys2 n PRO 9 Cb 0.60 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 2ys2 n PRO 9 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2ys2 s HIS 10 N -2.00 3.01 0.09 0.54 3.76 -1.26 -4.93 115.29 114.50 2ys2 s HIS 10 Ca 0.20 0.69 -0.28 0.00 -0.15 0.00 0.00 55.06 55.52 2ys2 s HIS 10 Cb 0.09 -3.94 -0.15 0.00 1.11 0.00 0.00 32.58 29.69 2ys2 s HIS 10 CO 0.15 -3.36 1.67 1.25 -0.85 0.00 0.00 174.74 173.60 2ys2 h LEU 11 N 6.28 -0.47 -8.43 0.89 5.85 -2.04 -3.39 115.31 114.00 2ys2 h LEU 11 Ca -0.44 0.03 -0.68 0.00 0.84 0.00 0.00 57.88 57.63 2ys2 h LEU 11 Cb 1.21 0.14 -0.25 0.00 0.37 0.00 0.00 40.66 42.13 2ys2 h LEU 11 CO 0.88 -0.30 -0.58 -0.76 -0.34 0.00 0.00 178.44 177.34 2ys2 s LEU 12 N -10.15 4.14 0.02 2.25 1.43 -1.26 -5.08 118.68 110.02 2ys2 s LEU 12 Ca -0.15 -0.73 0.05 0.00 -1.03 0.00 0.00 54.13 52.26 2ys2 s LEU 12 Cb 0.05 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 2ys2 s LEU 12 CO 0.64 -0.24 -0.15 0.54 0.23 0.00 0.00 176.35 177.38 2ys2 s VAL 13 N 1.54 1.15 1.14 -1.59 0.11 -1.26 -5.14 120.40 116.35 2ys2 s VAL 13 Ca 0.03 -0.87 -0.15 0.00 -2.93 0.00 0.00 61.98 58.06 2ys2 s VAL 13 Cb -0.18 -1.01 0.21 0.00 -1.53 0.00 0.00 36.38 33.87 2ys2 s VAL 13 CO 0.05 0.13 0.60 0.29 -3.33 0.00 0.00 175.10 172.84 2ys2 n LYS 14 N 2.20 -2.04 -4.30 1.54 4.01 -1.26 -5.05 118.16 113.27 2ys2 n LYS 14 Ca -0.17 -0.57 -0.16 0.00 -0.51 0.00 0.00 58.31 56.90 2ys2 n LYS 14 Cb 0.55 -1.98 -0.10 0.00 -0.51 0.00 0.00 35.03 33.00 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 -2.34 1.48 -0.24 2.13 -0.85 -1.26 -4.80 117.35 111.47 2ys2 s TYR 15 Ca 0.63 -1.33 -0.11 0.00 -0.52 0.00 0.00 57.07 55.74 2ys2 s TYR 15 Cb -0.20 -0.80 -0.05 0.00 0.38 0.00 0.00 41.96 41.30 2ys2 s TYR 15 CO 0.66 -0.51 0.19 -1.01 -1.52 0.00 0.00 175.55 173.36 2ys2 s HIS 16 N -3.78 3.31 -0.12 -3.49 3.76 -1.26 -3.41 115.29 110.30 2ys2 s HIS 16 Ca 0.37 0.25 -0.02 0.00 -0.15 0.00 0.00 55.06 55.52 2ys2 s HIS 16 Cb 0.06 -2.32 0.01 0.00 1.11 0.00 0.00 32.58 31.44 2ys2 s HIS 16 CO 0.15 0.02 2.40 0.45 -0.85 0.00 0.00 174.74 176.92 2ys2 n SER 17 N 4.43 5.72 -3.29 1.40 2.88 -1.26 -4.83 113.62 118.67 2ys2 n SER 17 Ca -0.14 -2.67 -0.00 0.00 -1.33 0.00 0.00 58.87 54.73 2ys2 n SER 17 Cb 0.52 -1.18 0.02 0.00 -0.75 0.00 0.00 64.21 62.82 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 1.35 0.48 3.56 0.46 0.00 -1.26 -4.51 105.19 105.27 2ys2 n GLY 18 Ca 0.21 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.32 2.54 -0.50 1.61 0.08 -1.26 -4.87 117.98 113.26 2ys2 s PHE 19 Ca 0.24 -0.26 -0.22 0.00 0.12 0.00 0.00 56.93 56.81 2ys2 s PHE 19 Cb -0.02 -1.15 0.04 0.00 -0.57 0.00 0.00 43.02 41.32 2ys2 s PHE 19 CO 0.02 0.62 0.76 0.12 -0.10 0.00 0.00 175.22 176.64 2ys2 s PHE 20 N -2.19 2.95 0.06 0.36 5.36 -1.26 -2.94 117.98 120.32 2ys2 s PHE 20 Ca 0.29 -0.15 0.05 0.00 -0.96 0.00 0.00 56.93 56.15 2ys2 s PHE 20 Cb -0.07 -3.71 -0.03 0.00 -0.34 0.00 0.00 43.02 38.88 2ys2 s PHE 20 CO 0.17 -1.10 -0.13 0.08 -1.46 0.00 0.00 175.22 172.77 2ys2 s VAL 21 N 3.23 1.01 -1.42 3.12 1.01 -0.04 -4.80 120.40 122.51 2ys2 s VAL 21 Ca 0.24 -1.24 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 2ys2 s VAL 21 Cb -0.15 -0.99 0.03 0.00 0.00 0.00 0.00 36.38 35.28 2ys2 s VAL 21 CO 0.18 -0.24 1.12 -0.67 0.00 0.00 0.00 175.10 175.49 2ys2 n ASP 22 N 1.35 -5.94 -3.44 3.32 -0.08 -1.26 -1.74 116.55 108.76 2ys2 n ASP 22 Ca -0.21 -0.60 -0.25 0.00 -1.51 0.00 0.00 54.79 52.22 2ys2 n ASP 22 Cb 0.54 -4.69 0.04 0.00 2.34 0.00 0.00 41.12 39.35 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 -1.91 -0.52 3.62 0.27 0.00 -1.26 -4.95 105.19 100.43 2ys2 n GLY 23 Ca 0.02 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 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 -6.14 0.27 1.24 1.61 -2.85 -0.71 -4.81 119.74 108.35 2ys2 s LYS 24 Ca 0.49 0.11 -0.20 0.00 -1.00 0.00 0.00 55.97 55.37 2ys2 s LYS 24 Cb -0.23 0.13 0.30 0.00 -2.06 0.00 0.00 37.83 35.97 2ys2 s LYS 24 CO 0.60 -0.08 1.07 -0.06 0.10 0.00 0.00 175.35 176.99 2ys2 s PHE 25 N -0.81 0.32 0.00 1.78 0.08 -0.64 -0.86 117.98 117.84 2ys2 s PHE 25 Ca 0.05 0.54 0.00 0.00 0.12 0.00 0.00 56.93 57.64 2ys2 s PHE 25 Cb -0.02 -3.33 0.00 0.00 -0.57 0.00 0.00 43.02 39.11 2ys2 s PHE 25 CO -0.06 -4.09 0.00 1.28 -0.10 0.00 0.00 175.22 172.26 2ys2 n LEU 26 N -4.93 0.00 -0.08 -0.37 4.77 -1.15 -4.06 117.00 111.17 2ys2 n LEU 26 Ca 0.13 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 2ys2 n LEU 26 Cb 0.59 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.63 2ys2 n LEU 26 CO 0.45 0.00 0.58 0.00 -1.33 0.00 0.00 177.39 177.09 2ys2 n GLN 29 N -0.93 -1.07 -2.95 0.00 1.13 -1.25 -4.82 117.38 107.50 2ys2 n GLN 29 Ca 0.12 0.09 -0.42 0.00 -1.94 0.00 0.00 57.00 54.86 2ys2 n GLN 29 Cb 0.69 -3.72 -0.05 0.00 0.11 0.00 0.00 30.24 27.27 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 -5.64 3.97 -0.31 -1.09 -0.21 -1.26 -4.77 119.66 110.34 2ys2 s GLN 30 Ca 0.56 0.60 -0.02 0.00 0.02 0.00 0.00 55.36 56.51 2ys2 s GLN 30 Cb -0.33 -3.72 0.13 0.00 1.00 0.00 0.00 33.01 30.09 2ys2 s GLN 30 CO 0.68 -0.67 2.33 -1.13 -2.12 0.00 0.00 175.29 174.39 2ys2 n SER 31 N 6.18 6.32 -3.63 5.90 3.41 -1.26 -1.62 113.62 128.92 2ys2 n SER 31 Ca 0.04 -3.03 -0.29 0.00 -0.26 0.00 0.00 58.87 55.33 2ys2 n SER 31 Cb 0.48 -1.13 -0.13 0.00 -0.26 0.00 0.00 64.21 63.16 2ys2 n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ys2 n LYS 33 N 4.21 -0.07 -2.88 0.00 4.81 -1.26 -0.55 118.16 122.42 2ys2 n LYS 33 Ca 0.05 1.18 -0.42 0.00 -0.87 0.00 0.00 58.31 58.25 2ys2 n LYS 33 Cb 0.38 -1.81 0.01 0.00 0.02 0.00 0.00 35.03 33.63 2ys2 n LYS 33 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ys2 n ALA 34 N -3.51 5.48 -2.85 3.14 0.00 -1.26 -5.01 120.51 116.50 2ys2 n ALA 34 Ca 0.15 -4.74 -0.26 0.00 0.00 0.00 0.00 53.44 48.59 2ys2 n ALA 34 Cb 0.48 -2.24 -0.05 0.00 0.00 0.00 0.00 19.45 17.64 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 -3.36 3.71 0.71 0.00 0.00 0.29 -5.11 121.76 118.00 2ys2 s ALA 35 Ca 0.34 -1.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.02 2ys2 s ALA 35 Cb 0.10 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.74 2ys2 s ALA 35 CO 0.02 0.51 1.10 -1.25 0.00 0.00 0.00 175.76 176.14 2ys2 s PRO 36 N -3.15 2.55 0.09 0.00 0.04 -1.26 -4.93 135.00 128.33 2ys2 s PRO 36 Ca 0.32 1.29 -0.33 0.00 0.04 0.00 0.00 61.00 62.31 2ys2 s PRO 36 Cb -0.10 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.39 2ys2 s PRO 36 CO 0.25 -1.43 1.73 0.41 0.04 0.00 0.00 177.00 178.00 2ys2 n GLY 37 N -0.85 1.36 0.12 0.56 0.00 -1.26 -4.90 105.19 100.22 2ys2 n GLY 37 Ca 0.10 0.72 -0.21 0.00 0.00 0.00 0.00 46.02 46.63 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 -2.45 3.37 0.00 0.00 2.01 -1.22 -4.43 115.64 112.92 2ys2 s THR 39 Ca -0.18 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.31 2ys2 s THR 39 Cb 0.03 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.40 2ys2 s THR 39 CO 0.78 -0.72 0.21 0.00 -0.69 0.00 0.00 174.62 174.20 2ys2 n LEU 40 N 15.60 0.42 -4.58 4.42 -0.00 -1.26 -4.45 117.00 127.15 2ys2 n LEU 40 Ca 0.43 -0.62 -0.32 0.00 -0.00 0.00 0.00 56.01 55.50 2ys2 n LEU 40 Cb 0.46 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.84 2ys2 n LEU 40 CO 0.62 0.10 1.63 -1.66 -0.00 0.00 0.00 177.39 178.08 2ys2 s TRP 41 N -0.41 2.17 -0.36 1.47 -2.14 -1.26 -4.68 118.94 113.73 2ys2 s TRP 41 Ca 0.00 -0.08 0.06 0.00 2.66 0.00 0.00 56.10 58.73 2ys2 s TRP 41 Cb 0.00 -4.20 0.45 0.00 -3.10 0.00 0.00 33.47 26.62 2ys2 s TRP 41 CO 0.00 -1.36 1.27 0.39 -2.66 0.00 0.00 176.95 174.59 2ys2 n GLU 42 N 8.32 3.48 -2.01 3.25 -0.58 -1.26 -4.74 120.64 127.10 2ys2 n GLU 42 Ca 0.46 -4.13 -0.27 0.00 -0.42 0.00 0.00 57.16 52.80 2ys2 n GLU 42 Cb 0.46 -2.28 0.02 0.00 -0.57 0.00 0.00 31.44 29.08 2ys2 n GLU 42 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ys2 n ALA 43 N -0.69 5.26 -0.06 0.62 0.00 -1.26 -4.71 120.51 119.67 2ys2 n ALA 43 Ca 0.45 -3.86 -0.22 0.00 0.00 0.00 0.00 53.44 49.81 2ys2 n ALA 43 Cb 0.87 -0.62 -0.12 0.00 0.00 0.00 0.00 19.45 19.58 2ys2 n ALA 43 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2ys2 h TYR 44 N 2.26 0.19 -3.74 0.00 3.20 -2.00 -3.43 116.97 113.46 2ys2 h TYR 44 Ca 0.40 -0.14 -0.76 0.00 3.14 0.00 0.00 58.73 61.36 2ys2 h TYR 44 Cb 1.27 -0.01 -0.29 0.00 1.54 0.00 0.00 36.73 39.24 2ys2 h TYR 44 CO 0.94 1.59 -0.03 -1.54 -1.64 0.00 0.00 178.16 177.47 2ys2 s SER 45 N -6.93 6.34 0.00 -2.11 1.04 -1.26 -4.80 113.70 105.98 2ys2 s SER 45 Ca -0.26 -2.73 0.00 0.00 0.48 0.00 0.00 55.95 53.44 2ys2 s SER 45 Cb 0.06 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2ys2 s SER 45 CO 0.66 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 174.97 2ys2 n GLY 46 N 3.85 -1.74 3.61 7.32 0.00 -1.26 -5.18 105.19 111.79 2ys2 n GLY 46 Ca 0.12 0.78 -0.30 0.00 0.00 0.00 0.00 46.02 46.62 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 0.00 -0.87 -0.26 1.61 0.04 -1.26 -5.05 135.00 129.21 2ys2 s PRO 47 Ca 0.00 0.06 0.01 0.00 0.04 0.00 0.00 61.00 61.11 2ys2 s PRO 47 Cb 0.00 -1.63 0.07 0.00 0.04 0.00 0.00 34.50 32.99 2ys2 s PRO 47 CO 0.00 -3.50 -0.01 -1.12 0.04 0.00 0.00 177.00 172.41 2ys2 s SER 48 N -3.79 3.94 -0.30 6.66 0.01 -1.26 -5.06 113.70 113.91 2ys2 s SER 48 Ca 0.70 -1.37 -0.05 0.00 1.31 0.00 0.00 55.95 56.55 2ys2 s SER 48 Cb -0.12 -1.15 0.19 0.00 0.21 0.00 0.00 66.02 65.15 2ys2 s SER 48 CO 0.56 -0.29 0.80 -0.44 0.41 0.00 0.00 173.24 174.29 2ys2 s SER 49 N 1.40 -1.01 0.00 2.44 0.01 -1.26 -5.37 113.70 109.91 2ys2 s SER 49 Ca -0.01 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.66 2ys2 s SER 49 Cb -0.18 1.76 0.00 0.00 0.21 0.00 0.00 66.02 67.81 2ys2 s SER 49 CO -0.10 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 173.97