#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 0.35 0.15 1.61 1.04 -1.26 -5.17 113.70 110.42 2ys2 s SER 2 Ca 0.00 -0.83 -0.24 0.00 0.48 0.00 0.00 55.95 55.36 2ys2 s SER 2 Cb 0.00 0.23 0.08 0.00 0.10 0.00 0.00 66.02 66.43 2ys2 s SER 2 CO 0.00 -0.60 1.06 -0.55 0.98 0.00 0.00 173.24 174.12 2ys2 s SER 3 N -2.73 -0.04 0.43 7.02 0.15 -1.26 -5.15 113.70 112.13 2ys2 s SER 3 Ca 0.04 -0.55 -0.20 0.00 0.70 0.00 0.00 55.95 55.93 2ys2 s SER 3 Cb 0.05 0.45 -0.15 0.00 -1.71 0.00 0.00 66.02 64.66 2ys2 s SER 3 CO -0.09 -0.88 0.03 0.61 1.20 0.00 0.00 173.24 174.11 2ys2 n GLY 4 N -0.65 -2.85 3.45 9.45 0.00 -1.26 -4.99 105.19 108.33 2ys2 n GLY 4 Ca -0.04 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 2ys2 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ys2 s SER 5 N -1.00 0.37 0.06 1.61 0.01 -1.26 -5.08 113.70 108.40 2ys2 s SER 5 Ca 0.59 -1.26 -0.30 0.00 1.31 0.00 0.00 55.95 56.29 2ys2 s SER 5 Cb -0.60 0.56 -0.16 0.00 0.21 0.00 0.00 66.02 66.03 2ys2 s SER 5 CO 0.64 -1.11 1.46 0.28 0.41 0.00 0.00 173.24 174.91 2ys2 h SER 6 N 2.30 -1.02 -4.58 2.44 0.02 -2.10 -3.46 113.55 107.14 2ys2 h SER 6 Ca -0.29 0.06 -0.48 0.00 -0.84 0.00 0.00 61.79 60.24 2ys2 h SER 6 Cb 1.25 0.30 -0.11 0.00 0.14 0.00 0.00 62.40 63.98 2ys2 h SER 6 CO 0.41 -0.61 -0.41 0.61 -1.14 0.00 0.00 176.83 175.69 2ys2 n GLY 7 N -1.51 3.30 2.87 -3.77 0.00 -1.26 -5.10 105.19 99.73 2ys2 n GLY 7 Ca -0.12 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.51 2ys2 n GLY 7 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ys2 n ASN 8 N -1.62 4.02 0.00 1.61 0.23 -1.26 -4.88 115.26 113.36 2ys2 n ASN 8 Ca -0.04 -3.26 0.07 0.00 -0.53 0.00 0.00 54.58 50.82 2ys2 n ASN 8 Cb 0.54 -0.90 0.39 0.00 -2.08 0.00 0.00 39.78 37.72 2ys2 n ASN 8 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 2ys2 n PRO 9 N 1.74 0.49 -1.67 -0.53 -0.04 -1.26 -4.68 135.00 129.05 2ys2 n PRO 9 Ca 0.24 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.53 2ys2 n PRO 9 Cb 0.37 -1.42 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 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 1.27 0.31 0.54 3.76 -1.26 -4.78 115.29 113.13 2ys2 s HIS 10 Ca 0.20 1.70 0.06 0.00 -0.15 0.00 0.00 55.06 56.86 2ys2 s HIS 10 Cb 0.09 -3.57 0.85 0.00 1.11 0.00 0.00 32.58 31.06 2ys2 s HIS 10 CO 0.15 -1.65 1.63 1.25 -0.85 0.00 0.00 174.74 175.28 2ys2 h LEU 11 N 21.47 0.06 -8.30 0.89 5.85 -2.05 -3.37 115.31 129.86 2ys2 h LEU 11 Ca 0.01 0.21 -0.63 0.00 0.84 0.00 0.00 57.88 58.31 2ys2 h LEU 11 Cb 1.01 0.27 -0.32 0.00 0.37 0.00 0.00 40.66 41.99 2ys2 h LEU 11 CO 1.05 -0.20 -0.86 -1.48 -0.34 0.00 0.00 178.44 176.61 2ys2 s LEU 12 N -10.65 1.98 -0.01 2.25 2.34 -1.26 -5.13 118.68 108.20 2ys2 s LEU 12 Ca -0.11 -0.46 -0.15 0.00 0.06 0.00 0.00 54.13 53.47 2ys2 s LEU 12 Cb 0.28 -1.20 0.02 0.00 -0.56 0.00 0.00 46.19 44.73 2ys2 s LEU 12 CO 0.78 0.17 0.31 0.54 -1.06 0.00 0.00 176.35 177.08 2ys2 s VAL 13 N 0.16 0.06 0.44 1.48 0.11 -1.26 -5.17 120.40 116.21 2ys2 s VAL 13 Ca -0.10 -0.48 0.08 0.00 -2.93 0.00 0.00 61.98 58.55 2ys2 s VAL 13 Cb -0.15 -0.62 0.01 0.00 -1.53 0.00 0.00 36.38 34.10 2ys2 s VAL 13 CO 0.05 -0.26 0.56 -1.59 -3.33 0.00 0.00 175.10 170.53 2ys2 s LYS 14 N -1.36 2.71 0.34 1.54 -2.85 -1.26 -5.14 119.74 113.72 2ys2 s LYS 14 Ca -0.13 -1.35 -0.10 0.00 -1.00 0.00 0.00 55.97 53.39 2ys2 s LYS 14 Cb -0.05 -2.67 0.02 0.00 -2.06 0.00 0.00 37.83 33.07 2ys2 s LYS 14 CO 0.04 -0.34 0.60 1.52 0.10 0.00 0.00 175.35 177.28 2ys2 s TYR 15 N -2.42 0.56 -0.31 1.78 1.13 -1.26 -4.73 117.35 112.10 2ys2 s TYR 15 Ca 0.54 -0.98 -0.19 0.00 -1.41 0.00 0.00 57.07 55.04 2ys2 s TYR 15 Cb -0.08 0.33 -0.01 0.00 -1.10 0.00 0.00 41.96 41.09 2ys2 s TYR 15 CO 0.33 -1.28 0.55 -1.01 -2.51 0.00 0.00 175.55 171.63 2ys2 s HIS 16 N -2.98 3.21 -0.06 -3.49 3.76 -1.26 -3.54 115.29 110.93 2ys2 s HIS 16 Ca 0.23 0.45 -0.02 0.00 -0.15 0.00 0.00 55.06 55.57 2ys2 s HIS 16 Cb -0.02 -2.89 -0.04 0.00 1.11 0.00 0.00 32.58 30.74 2ys2 s HIS 16 CO 0.15 -0.44 2.45 0.43 -0.85 0.00 0.00 174.74 176.47 2ys2 n SER 17 N 5.73 5.52 -0.60 1.40 7.64 -1.26 -4.81 113.62 127.24 2ys2 n SER 17 Ca -0.03 -2.55 0.00 0.00 1.01 0.00 0.00 58.87 57.30 2ys2 n SER 17 Cb 0.49 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 2ys2 n SER 17 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ys2 n GLY 18 N 1.58 1.87 3.48 0.23 0.00 -1.26 -4.69 105.19 106.40 2ys2 n GLY 18 Ca 0.17 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 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 -5.29 2.40 -0.41 1.61 0.08 -1.26 -4.90 117.98 110.21 2ys2 s PHE 19 Ca 0.00 -0.31 -0.08 0.00 0.12 0.00 0.00 56.93 56.66 2ys2 s PHE 19 Cb 0.00 -1.14 0.08 0.00 -0.57 0.00 0.00 43.02 41.39 2ys2 s PHE 19 CO 0.00 0.56 0.23 0.12 -0.10 0.00 0.00 175.22 176.02 2ys2 s PHE 20 N -1.89 3.37 0.26 0.36 2.19 -1.26 -1.98 117.98 119.03 2ys2 s PHE 20 Ca 0.24 -1.70 0.04 0.00 0.33 0.00 0.00 56.93 55.84 2ys2 s PHE 20 Cb -0.07 -2.92 -0.05 0.00 -1.31 0.00 0.00 43.02 38.66 2ys2 s PHE 20 CO 0.13 -0.86 0.01 0.14 1.83 0.00 0.00 175.22 176.46 2ys2 s VAL 21 N 1.36 1.11 -1.60 3.12 -7.23 0.14 -4.79 120.40 112.51 2ys2 s VAL 21 Ca 0.03 -2.04 -0.15 0.00 -1.81 0.00 0.00 61.98 58.02 2ys2 s VAL 21 Cb -0.23 -2.46 0.11 0.00 0.56 0.00 0.00 36.38 34.36 2ys2 s VAL 21 CO 0.01 -0.24 0.82 -0.67 -0.31 0.00 0.00 175.10 174.71 2ys2 n ASP 22 N -0.49 -3.50 -3.74 4.85 -0.08 -1.26 -0.49 116.55 111.84 2ys2 n ASP 22 Ca -0.04 -0.92 -0.27 0.00 -1.51 0.00 0.00 54.79 52.04 2ys2 n ASP 22 Cb 0.64 -3.23 0.05 0.00 2.34 0.00 0.00 41.12 40.92 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 -1.57 -0.52 3.87 0.27 0.00 -1.26 -4.94 105.19 101.04 2ys2 n GLY 23 Ca 0.02 0.22 -0.03 0.00 0.00 0.00 0.00 46.02 46.22 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 -6.45 1.31 0.48 1.61 1.02 0.36 -4.91 119.74 113.16 2ys2 s LYS 24 Ca 0.62 -0.83 0.08 0.00 0.02 0.00 0.00 55.97 55.86 2ys2 s LYS 24 Cb -0.29 0.37 0.03 0.00 -0.52 0.00 0.00 37.83 37.42 2ys2 s LYS 24 CO 0.76 -0.61 0.59 -0.06 -0.92 0.00 0.00 175.35 175.10 2ys2 s PHE 25 N -2.28 2.20 0.00 3.18 0.08 -1.26 0.28 117.98 120.18 2ys2 s PHE 25 Ca 0.21 -0.58 0.00 0.00 0.12 0.00 0.00 56.93 56.68 2ys2 s PHE 25 Cb -0.02 -2.23 0.00 0.00 -0.57 0.00 0.00 43.02 40.20 2ys2 s PHE 25 CO 0.05 -0.61 0.00 1.28 -0.10 0.00 0.00 175.22 175.84 2ys2 n LEU 26 N -1.91 0.09 -0.09 -0.37 4.77 -0.84 -3.79 117.00 114.86 2ys2 n LEU 26 Ca 0.09 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 2ys2 n LEU 26 Cb 0.61 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.69 2ys2 n LEU 26 CO 0.40 0.01 0.50 0.00 -1.33 0.00 0.00 177.39 176.98 2ys2 n GLN 29 N -1.48 -7.23 -1.42 0.00 1.13 -1.25 -4.98 117.38 102.16 2ys2 n GLN 29 Ca 0.00 0.80 -0.29 0.00 -1.94 0.00 0.00 57.00 55.58 2ys2 n GLN 29 Cb 0.13 -5.81 0.15 0.00 0.11 0.00 0.00 30.24 24.82 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 -6.05 0.82 -0.63 -1.09 -0.21 -1.26 -4.84 119.66 106.40 2ys2 s GLN 30 Ca 0.39 0.32 -0.00 0.00 0.02 0.00 0.00 55.36 56.09 2ys2 s GLN 30 Cb -0.18 -1.80 0.44 0.00 1.00 0.00 0.00 33.01 32.47 2ys2 s GLN 30 CO 0.74 -2.42 1.88 -1.13 -2.12 0.00 0.00 175.29 172.24 2ys2 n SER 31 N -3.93 7.19 -3.94 5.90 3.41 -1.26 -4.30 113.62 116.69 2ys2 n SER 31 Ca 0.06 -3.79 -0.16 0.00 -0.26 0.00 0.00 58.87 54.73 2ys2 n SER 31 Cb 0.59 -0.88 -0.09 0.00 -0.26 0.00 0.00 64.21 63.56 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 -0.43 0.48 -1.82 0.00 3.00 -1.26 -4.66 118.16 113.46 2ys2 n LYS 33 Ca 0.03 0.21 -0.29 0.00 -0.00 0.00 0.00 58.31 58.26 2ys2 n LYS 33 Cb 0.65 -1.30 0.04 0.00 0.00 0.00 0.00 35.03 34.42 2ys2 n LYS 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ys2 n ALA 34 N -3.97 5.58 -0.95 3.14 0.00 -1.26 -5.05 120.51 118.00 2ys2 n ALA 34 Ca -0.44 -3.75 -0.29 0.00 0.00 0.00 0.00 53.44 48.95 2ys2 n ALA 34 Cb 0.82 -0.95 0.18 0.00 0.00 0.00 0.00 19.45 19.49 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 -3.71 0.93 0.70 0.00 0.00 -1.26 -5.00 121.76 113.42 2ys2 s ALA 35 Ca 0.56 -0.02 -0.13 0.00 0.00 0.00 0.00 51.96 52.36 2ys2 s ALA 35 Cb 0.45 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 20.35 2ys2 s ALA 35 CO -0.03 -2.87 1.11 -1.25 0.00 0.00 0.00 175.76 172.72 2ys2 s PRO 36 N -4.77 2.61 -0.65 0.00 0.04 -1.26 -4.88 135.00 126.09 2ys2 s PRO 36 Ca 0.65 1.32 -0.26 0.00 0.04 0.00 0.00 61.00 62.76 2ys2 s PRO 36 Cb -0.21 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 2ys2 s PRO 36 CO 0.59 -1.39 2.33 0.20 0.04 0.00 0.00 177.00 178.77 2ys2 s GLY 37 N -2.84 -0.50 0.32 0.56 0.00 -1.26 -4.77 107.32 98.83 2ys2 s GLY 37 Ca 0.65 -0.47 0.24 0.00 0.00 0.00 0.00 44.72 45.14 2ys2 s GLY 37 CO 0.46 4.07 1.14 0.00 0.00 0.00 0.00 173.10 178.78 2ys2 n THR 39 N -4.13 2.41 -4.00 0.00 -1.04 -1.23 -4.91 114.28 101.37 2ys2 n THR 39 Ca 0.30 -2.25 -0.26 0.00 -2.04 0.00 0.00 64.05 59.80 2ys2 n THR 39 Cb 1.15 -2.35 -0.04 0.00 -1.82 0.00 0.00 70.33 67.27 2ys2 n THR 39 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2ys2 s LEU 40 N 3.81 4.14 -0.59 -4.42 2.96 -1.11 -4.32 118.68 119.14 2ys2 s LEU 40 Ca 0.57 0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 54.52 2ys2 s LEU 40 Cb 0.10 -2.73 0.22 0.00 0.50 0.00 0.00 46.19 44.29 2ys2 s LEU 40 CO 0.08 0.07 2.34 0.79 -1.32 0.00 0.00 176.35 178.30 2ys2 n TRP 41 N -0.41 2.25 -2.32 5.38 5.03 -1.26 -4.98 117.44 121.12 2ys2 n TRP 41 Ca -0.07 -2.21 -0.39 0.00 3.03 0.00 0.00 57.50 57.85 2ys2 n TRP 41 Cb 0.54 -1.27 -0.03 0.00 -1.03 0.00 0.00 31.31 29.52 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 -2.77 4.31 -0.67 -0.99 -1.05 -1.26 -4.95 118.70 111.32 2ys2 s GLU 42 Ca 0.54 1.90 -0.00 0.00 -0.15 0.00 0.00 54.97 57.26 2ys2 s GLU 42 Cb 0.40 -2.92 0.41 0.00 -0.44 0.00 0.00 34.13 31.59 2ys2 s GLU 42 CO -0.23 -0.12 1.85 0.00 0.95 0.00 0.00 175.26 177.71 2ys2 n ALA 43 N 0.58 6.14 -3.15 -0.84 0.00 -1.26 -4.83 120.51 117.14 2ys2 n ALA 43 Ca 0.02 -3.81 -0.15 0.00 0.00 0.00 0.00 53.44 49.50 2ys2 n ALA 43 Cb 0.45 -1.57 0.06 0.00 0.00 0.00 0.00 19.45 18.39 2ys2 n ALA 43 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2ys2 n TYR 44 N -0.73 -1.79 -1.91 0.00 9.36 -1.26 -4.95 117.16 115.89 2ys2 n TYR 44 Ca 0.56 0.66 -0.28 0.00 3.32 0.00 0.00 57.90 62.16 2ys2 n TYR 44 Cb 0.55 -3.81 0.03 0.00 -0.63 0.00 0.00 39.34 35.49 2ys2 n TYR 44 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2ys2 n SER 45 N -1.78 5.74 -3.82 2.98 7.64 -1.26 -5.01 113.62 118.11 2ys2 n SER 45 Ca -0.05 -3.76 -0.10 0.00 1.01 0.00 0.00 58.87 55.96 2ys2 n SER 45 Cb 0.56 -0.56 -0.08 0.00 -1.01 0.00 0.00 64.21 63.13 2ys2 n SER 45 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ys2 s GLY 46 N -3.01 0.00 0.62 0.23 0.00 -1.26 -5.17 107.32 98.73 2ys2 s GLY 46 Ca 0.54 -0.26 -0.10 0.00 0.00 0.00 0.00 44.72 44.89 2ys2 s GLY 46 CO -0.03 -0.45 0.55 -1.55 0.00 0.00 0.00 173.10 171.62 2ys2 n PRO 47 N 0.54 -2.11 -3.71 2.90 -0.04 -1.26 -5.06 135.00 126.26 2ys2 n PRO 47 Ca -0.18 -0.88 -0.22 0.00 -0.04 0.00 0.00 63.50 62.18 2ys2 n PRO 47 Cb 0.60 -0.83 -0.02 0.00 -0.04 0.00 0.00 33.50 33.21 2ys2 n PRO 47 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ys2 s SER 48 N -2.99 6.30 0.33 3.54 0.15 -1.26 -5.12 113.70 114.65 2ys2 s SER 48 Ca 0.36 0.22 -0.19 0.00 0.70 0.00 0.00 55.95 57.04 2ys2 s SER 48 Cb -0.04 -1.91 0.04 0.00 -1.71 0.00 0.00 66.02 62.40 2ys2 s SER 48 CO 0.27 -0.17 0.75 -0.94 1.20 0.00 0.00 173.24 174.35 2ys2 s SER 49 N -4.01 -0.14 0.00 5.45 1.04 -1.26 -5.33 113.70 109.45 2ys2 s SER 49 Ca 0.37 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2ys2 s SER 49 Cb -0.09 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.81 2ys2 s SER 49 CO 0.32 -1.50 0.15 0.61 0.98 0.00 0.00 173.24 173.80