#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysi s SER 2 N 0.00 5.95 0.03 1.61 1.04 -1.26 -5.03 113.70 116.04 2ysi s SER 2 Ca 0.00 0.37 -0.19 0.00 0.48 0.00 0.00 55.95 56.60 2ysi s SER 2 Cb 0.00 -1.68 -0.19 0.00 0.10 0.00 0.00 66.02 64.25 2ysi s SER 2 CO 0.00 -0.62 1.21 0.77 0.98 0.00 0.00 173.24 175.58 2ysi h SER 3 N 0.45 0.52 0.00 7.02 4.64 -2.15 -3.48 113.55 120.55 2ysi h SER 3 Ca -0.47 -0.65 0.00 0.00 -0.47 0.00 0.00 61.79 60.21 2ysi h SER 3 Cb 1.24 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2ysi h SER 3 CO 0.58 1.08 0.00 0.61 -0.87 0.00 0.00 176.83 178.23 2ysi n GLY 4 N 0.70 2.41 3.30 -0.77 0.00 -1.26 -4.83 105.19 104.75 2ysi n GLY 4 Ca -0.08 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 2ysi n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ysi n SER 5 N 1.74 -4.00 -4.12 1.61 2.88 -1.26 -5.02 113.62 105.46 2ysi n SER 5 Ca 0.00 -0.53 -0.19 0.00 -1.33 0.00 0.00 58.87 56.82 2ysi n SER 5 Cb 0.00 -4.65 -0.13 0.00 -0.75 0.00 0.00 64.21 58.67 2ysi n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2ysi s SER 6 N -3.76 1.52 0.00 -3.46 0.15 -1.26 -5.01 113.70 101.87 2ysi s SER 6 Ca 0.26 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.50 2ysi s SER 6 Cb -0.12 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 2ysi s SER 6 CO 0.66 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.74 2ysi n GLY 7 N 2.03 -2.29 0.24 9.45 0.00 -1.26 -4.94 105.19 108.43 2ysi n GLY 7 Ca -0.18 0.76 0.01 0.00 0.00 0.00 0.00 46.02 46.61 2ysi n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ysi n THR 8 N -1.13 0.10 -3.41 2.61 -2.24 -1.26 -4.83 114.28 104.12 2ysi n THR 8 Ca 0.00 -0.07 -0.36 0.00 -2.27 0.00 0.00 64.05 61.35 2ysi n THR 8 Cb 0.00 -0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.04 2ysi n THR 8 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2ysi s GLU 9 N -1.68 3.97 1.29 -0.78 0.41 -1.26 -5.07 118.70 115.57 2ysi s GLU 9 Ca 0.03 0.46 -0.20 0.00 -0.41 0.00 0.00 54.97 54.86 2ysi s GLU 9 Cb 0.02 -3.05 0.30 0.00 -1.78 0.00 0.00 34.13 29.62 2ysi s GLU 9 CO 0.02 0.56 0.69 0.39 -0.49 0.00 0.00 175.26 176.43 2ysi n GLU 10 N 1.17 -3.73 0.00 1.61 -0.58 -1.26 -4.89 120.64 112.96 2ysi n GLU 10 Ca -0.08 -1.10 0.14 0.00 -0.42 0.00 0.00 57.16 55.70 2ysi n GLU 10 Cb 0.52 -1.80 0.62 0.00 -0.57 0.00 0.00 31.44 30.21 2ysi n GLU 10 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2ysi n ILE 11 N -5.27 0.00 -1.48 -3.67 2.08 -1.26 -4.91 119.36 104.86 2ysi n ILE 11 Ca 0.10 -0.19 -0.31 0.00 0.56 0.00 0.00 62.75 62.91 2ysi n ILE 11 Cb 0.52 0.25 0.08 0.00 -0.75 0.00 0.00 39.64 39.74 2ysi n ILE 11 CO 0.00 0.00 0.00 0.26 0.56 0.00 0.00 176.55 177.37 2ysi s TRP 12 N -2.02 2.86 0.03 1.39 0.52 -1.26 -4.14 118.94 116.33 2ysi s TRP 12 Ca 0.40 1.34 0.05 0.00 0.02 0.00 0.00 56.10 57.92 2ysi s TRP 12 Cb 0.21 -3.01 -0.03 0.00 -1.15 0.00 0.00 33.47 29.49 2ysi s TRP 12 CO 0.35 -1.60 -0.12 0.08 0.02 0.00 0.00 176.95 175.67 2ysi s VAL 13 N -3.04 3.23 -0.19 4.03 1.01 0.13 -4.87 120.40 120.70 2ysi s VAL 13 Ca 0.60 -1.02 -0.24 0.00 0.00 0.00 0.00 61.98 61.32 2ysi s VAL 13 Cb -0.15 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2ysi s VAL 13 CO 0.55 0.33 0.78 -0.70 0.00 0.00 0.00 175.10 176.07 2ysi s GLU 14 N -1.53 4.25 0.27 2.72 2.12 -1.26 -1.50 118.70 123.77 2ysi s GLU 14 Ca 0.17 0.91 -0.02 0.00 0.36 0.00 0.00 54.97 56.39 2ysi s GLU 14 Cb -0.11 -3.59 -0.02 0.00 0.26 0.00 0.00 34.13 30.67 2ysi s GLU 14 CO 0.07 -0.35 0.31 -0.80 -0.54 0.00 0.00 175.26 173.96 2ysi s ASN 15 N 1.21 0.64 -0.05 -1.70 0.01 -0.58 -5.01 114.94 109.46 2ysi s ASN 15 Ca 0.35 -1.42 -0.02 0.00 -0.71 0.00 0.00 52.86 51.07 2ysi s ASN 15 Cb -0.16 0.53 0.03 0.00 0.41 0.00 0.00 41.25 42.05 2ysi s ASN 15 CO 0.11 -1.06 0.04 -0.75 -1.51 0.00 0.00 177.10 173.94 2ysi s LYS 16 N -3.70 0.11 0.87 -0.60 2.47 -1.26 0.02 119.74 117.64 2ysi s LYS 16 Ca 0.34 0.30 -0.14 0.00 -1.56 0.00 0.00 55.97 54.91 2ysi s LYS 16 Cb 0.03 -0.63 0.01 0.00 -1.46 0.00 0.00 37.83 35.78 2ysi s LYS 16 CO 0.17 -0.32 0.45 0.25 0.16 0.00 0.00 175.35 176.07 2ysi n THR 17 N 5.22 0.70 0.99 3.43 -2.24 0.16 -4.80 114.28 117.73 2ysi n THR 17 Ca -0.05 -0.27 0.02 0.00 -2.27 0.00 0.00 64.05 61.48 2ysi n THR 17 Cb 0.50 -0.67 0.10 0.00 -2.10 0.00 0.00 70.33 68.15 2ysi n THR 17 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2ysi n PRO 18 N -1.34 0.49 -0.03 -0.78 -0.04 -1.26 -2.04 135.00 130.01 2ysi n PRO 18 Ca 0.08 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.55 2ysi n PRO 18 Cb 0.52 -1.10 -0.09 0.00 -0.04 0.00 0.00 33.50 32.79 2ysi n PRO 18 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2ysi n ASP 19 N -0.60 2.17 0.00 3.54 2.03 -1.26 -5.02 116.55 117.40 2ysi n ASP 19 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2ysi n ASP 19 Cb 0.01 1.23 0.00 0.00 -0.72 0.00 0.00 41.12 41.64 2ysi n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ysi n GLY 20 N 2.01 0.94 2.73 0.27 0.00 -0.87 -5.14 105.19 105.13 2ysi n GLY 20 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 2ysi n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ysi s LYS 21 N 0.13 -0.05 -0.03 1.61 3.01 -1.25 -4.96 119.74 118.20 2ysi s LYS 21 Ca 0.00 0.29 -0.30 0.00 -1.01 0.00 0.00 55.97 54.95 2ysi s LYS 21 Cb 0.00 -0.36 -0.03 0.00 -1.01 0.00 0.00 37.83 36.43 2ysi s LYS 21 CO 0.00 -0.24 1.13 0.08 0.51 0.00 0.00 175.35 176.82 2ysi s VAL 22 N 1.60 4.40 0.37 3.17 1.01 -1.26 0.36 120.40 130.05 2ysi s VAL 22 Ca -0.03 1.72 0.05 0.00 0.00 0.00 0.00 61.98 63.72 2ysi s VAL 22 Cb -0.12 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 2ysi s VAL 22 CO -0.03 0.05 0.18 -0.72 0.00 0.00 0.00 175.10 174.58 2ysi s TYR 23 N 1.70 1.74 -0.03 5.22 1.13 0.10 -4.85 117.35 122.37 2ysi s TYR 23 Ca 0.54 -1.41 0.06 0.00 -1.41 0.00 0.00 57.07 54.85 2ysi s TYR 23 Cb -0.24 -0.97 -0.01 0.00 -1.10 0.00 0.00 41.96 39.64 2ysi s TYR 23 CO 0.24 -0.51 -0.20 0.71 -2.51 0.00 0.00 175.55 173.29 2ysi s TYR 24 N -3.35 1.84 -0.12 -3.49 2.02 -0.38 -1.53 117.35 112.33 2ysi s TYR 24 Ca 0.31 -0.43 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 2ysi s TYR 24 Cb 0.03 -1.20 0.01 0.00 -0.40 0.00 0.00 41.96 40.39 2ysi s TYR 24 CO 0.19 -0.10 -0.22 -0.47 -1.57 0.00 0.00 175.55 173.38 2ysi s TYR 25 N -0.27 2.63 0.02 2.71 6.14 -0.56 -1.44 117.35 126.59 2ysi s TYR 25 Ca 0.03 -1.21 -0.23 0.00 0.64 0.00 0.00 57.07 56.30 2ysi s TYR 25 Cb -0.10 -1.78 -0.05 0.00 0.42 0.00 0.00 41.96 40.45 2ysi s TYR 25 CO 0.01 -0.52 0.70 1.21 0.64 0.00 0.00 175.55 177.59 2ysi s ASN 26 N 0.62 7.12 0.19 4.32 3.04 -1.03 0.21 114.94 129.41 2ysi s ASN 26 Ca -0.12 1.34 0.25 0.00 0.04 0.00 0.00 52.86 54.37 2ysi s ASN 26 Cb -0.16 -2.43 0.52 0.00 -1.54 0.00 0.00 41.25 37.63 2ysi s ASN 26 CO 0.03 0.04 1.52 0.00 -3.04 0.00 0.00 177.10 175.65 2ysi h ALA 27 N 5.72 0.79 0.08 1.71 0.00 -1.92 0.15 119.26 125.79 2ysi h ALA 27 Ca -0.44 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.17 2ysi h ALA 27 Cb 1.20 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2ysi h ALA 27 CO 0.71 0.00 -1.62 -0.09 0.00 0.00 0.00 179.25 178.24 2ysi h ARG 28 N 0.00 0.17 0.00 0.00 1.12 -1.92 -3.38 114.38 110.37 2ysi h ARG 28 Ca 0.00 -0.30 0.00 0.00 -1.11 0.00 0.00 59.98 58.57 2ysi h ARG 28 Cb 0.78 0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.85 2ysi h ARG 28 CO 0.00 1.14 -1.09 0.25 -3.11 0.00 0.00 179.97 177.17 2ysi n THR 29 N -3.90 0.06 -3.88 0.20 -2.24 -1.25 -4.97 114.28 98.29 2ysi n THR 29 Ca -0.30 -0.16 -0.30 0.00 -2.27 0.00 0.00 64.05 61.02 2ysi n THR 29 Cb 0.89 0.49 0.02 0.00 -2.10 0.00 0.00 70.33 69.64 2ysi n THR 29 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ysi n ARG 30 N -1.77 -5.33 -4.06 -0.78 1.74 0.51 -4.97 116.66 102.00 2ysi n ARG 30 Ca 0.02 0.59 -0.25 0.00 -0.77 0.00 0.00 57.85 57.44 2ysi n ARG 30 Cb 0.40 -5.47 -0.05 0.00 -1.02 0.00 0.00 32.46 26.32 2ysi n ARG 30 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2ysi s GLU 31 N -6.59 2.27 -0.14 5.56 0.41 -1.22 -4.92 118.70 114.06 2ysi s GLU 31 Ca 0.66 -1.89 0.01 0.00 -0.41 0.00 0.00 54.97 53.34 2ysi s GLU 31 Cb -0.33 -2.02 0.02 0.00 -1.78 0.00 0.00 34.13 30.02 2ysi s GLU 31 CO 0.81 -0.26 -0.17 -1.54 -0.49 0.00 0.00 175.26 173.61 2ysi s SER 32 N -4.01 2.80 -0.09 -0.19 1.04 -1.26 -2.47 113.70 109.51 2ysi s SER 32 Ca 0.37 -0.53 -0.04 0.00 0.48 0.00 0.00 55.95 56.24 2ysi s SER 32 Cb 0.01 -1.27 0.04 0.00 0.10 0.00 0.00 66.02 64.91 2ysi s SER 32 CO 0.21 0.00 0.20 0.00 0.98 0.00 0.00 173.24 174.63 2ysi s ALA 33 N 1.18 -0.41 0.09 5.32 0.00 -0.52 -5.01 121.76 122.41 2ysi s ALA 33 Ca -0.01 0.84 -0.20 0.00 0.00 0.00 0.00 51.96 52.59 2ysi s ALA 33 Cb -0.14 -0.58 -0.06 0.00 0.00 0.00 0.00 23.12 22.34 2ysi s ALA 33 CO -0.07 -0.21 1.35 -1.49 0.00 0.00 0.00 175.76 175.33 2ysi h TRP 34 N 7.32 -1.16 -1.98 0.00 -0.00 -1.89 -0.99 115.95 117.25 2ysi h TRP 34 Ca -0.40 0.07 -0.48 0.00 -0.00 0.00 0.00 58.89 58.08 2ysi h TRP 34 Cb 1.15 0.56 -0.03 0.00 -0.00 0.00 0.00 29.16 30.84 2ysi h TRP 34 CO 0.39 -0.28 -0.45 -0.08 -0.00 0.00 0.00 178.44 178.03 2ysi s THR 35 N -4.64 4.13 0.34 1.49 -1.32 -1.26 -3.03 115.64 111.35 2ysi s THR 35 Ca -0.08 -1.26 -0.15 0.00 -1.21 0.00 0.00 61.69 58.99 2ysi s THR 35 Cb 0.06 -3.38 -0.09 0.00 -1.51 0.00 0.00 72.50 67.58 2ysi s THR 35 CO 0.39 -0.24 0.75 -0.54 -2.21 0.00 0.00 174.62 172.77 2ysi s LYS 36 N -3.98 3.98 0.80 7.08 1.02 -1.26 -4.87 119.74 122.50 2ysi s LYS 36 Ca 0.38 0.66 -0.11 0.00 0.02 0.00 0.00 55.97 56.92 2ysi s LYS 36 Cb -0.08 -2.41 0.07 0.00 -0.52 0.00 0.00 37.83 34.89 2ysi s LYS 36 CO 0.27 0.12 1.09 -1.25 -0.92 0.00 0.00 175.35 174.66 2ysi s PRO 37 N -3.12 2.05 0.01 -1.68 0.04 -1.26 -5.05 135.00 125.99 2ysi s PRO 37 Ca 0.54 1.10 -0.00 0.00 0.04 0.00 0.00 61.00 62.68 2ysi s PRO 37 Cb -0.10 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2ysi s PRO 37 CO 0.19 -1.77 0.11 0.34 0.04 0.00 0.00 177.00 175.91 2ysi s ASP 38 N -3.39 5.85 -0.91 6.66 2.15 -1.26 -4.56 116.67 121.22 2ysi s ASP 38 Ca 0.62 0.17 -0.02 0.00 0.43 0.00 0.00 52.55 53.75 2ysi s ASP 38 Cb -0.17 -1.71 0.00 0.00 -0.30 0.00 0.00 42.92 40.74 2ysi s ASP 38 CO 0.56 0.24 0.76 0.61 -0.17 0.00 0.00 175.17 177.18 2ysi n GLY 39 N 0.93 -0.14 0.00 2.66 0.00 -1.26 -5.33 105.19 102.05 2ysi n GLY 39 Ca -0.11 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 45.92 2ysi n GLY 39 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70