#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 3.84 -0.23 1.61 0.15 -1.26 -5.07 113.70 112.75 2ysi s SER 2 Ca 0.00 -1.05 -0.20 0.00 0.70 0.00 0.00 55.95 55.40 2ysi s SER 2 Cb 0.00 -0.41 -0.17 0.00 -1.71 0.00 0.00 66.02 63.73 2ysi s SER 2 CO 0.00 -0.11 0.07 -1.54 1.20 0.00 0.00 173.24 172.86 2ysi n SER 3 N -0.78 1.88 0.00 5.45 3.41 -1.26 -5.06 113.62 117.27 2ysi n SER 3 Ca -0.05 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 2ysi n SER 3 Cb 0.62 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2ysi n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ysi n GLY 4 N 1.39 0.60 0.36 5.00 0.00 -1.26 -5.02 105.19 106.25 2ysi n GLY 4 Ca -0.38 -0.71 -0.03 0.00 0.00 0.00 0.00 46.02 44.90 2ysi n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ysi h SER 5 N 0.00 -1.26 -3.24 1.61 4.64 -2.06 -3.40 113.55 109.83 2ysi h SER 5 Ca 0.00 0.26 -0.44 0.00 -0.47 0.00 0.00 61.79 61.15 2ysi h SER 5 Cb 0.00 0.65 0.21 0.00 -0.31 0.00 0.00 62.40 62.95 2ysi h SER 5 CO 0.00 -0.30 0.00 -0.55 -0.87 0.00 0.00 176.83 175.12 2ysi s SER 6 N -5.25 0.87 0.27 4.97 0.15 -1.26 -5.00 113.70 108.44 2ysi s SER 6 Ca -0.14 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.02 2ysi s SER 6 Cb 0.18 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2ysi s SER 6 CO 0.70 -4.27 0.00 0.61 1.20 0.00 0.00 173.24 171.48 2ysi n GLY 7 N 0.83 -0.50 3.76 9.45 0.00 -1.26 -5.11 105.19 112.36 2ysi n GLY 7 Ca 0.03 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2ysi n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ysi s THR 8 N -1.82 2.45 0.25 2.61 2.01 -1.26 -5.03 115.64 114.85 2ysi s THR 8 Ca 0.00 0.39 0.10 0.00 0.31 0.00 0.00 61.69 62.48 2ysi s THR 8 Cb 0.00 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 2ysi s THR 8 CO 0.00 0.04 -0.06 -1.83 -0.69 0.00 0.00 174.62 172.08 2ysi s GLU 9 N -2.45 2.14 0.84 4.92 1.03 -1.26 -5.14 118.70 118.78 2ysi s GLU 9 Ca 0.61 -1.45 -0.09 0.00 0.03 0.00 0.00 54.97 54.07 2ysi s GLU 9 Cb -0.39 -2.09 0.16 0.00 -0.80 0.00 0.00 34.13 31.01 2ysi s GLU 9 CO 0.49 0.37 1.17 -1.21 -1.33 0.00 0.00 175.26 174.75 2ysi s GLU 10 N -3.47 1.20 0.00 -4.83 0.41 -1.26 -4.94 118.70 105.81 2ysi s GLU 10 Ca 0.30 -0.67 0.13 0.00 -0.41 0.00 0.00 54.97 54.31 2ysi s GLU 10 Cb -0.07 -2.07 0.75 0.00 -1.78 0.00 0.00 34.13 30.96 2ysi s GLU 10 CO 0.18 -1.92 1.34 -0.89 -0.49 0.00 0.00 175.26 173.47 2ysi n ILE 11 N -3.32 0.00 -1.79 -1.63 5.41 -1.26 -4.82 119.36 111.95 2ysi n ILE 11 Ca 0.14 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.59 2ysi n ILE 11 Cb 0.60 -0.34 0.05 0.00 -0.71 0.00 0.00 39.64 39.24 2ysi n ILE 11 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 2ysi s TRP 12 N -2.00 3.29 0.00 1.39 0.52 -1.26 -3.94 118.94 116.94 2ysi s TRP 12 Ca 0.19 1.17 0.04 0.00 0.02 0.00 0.00 56.10 57.52 2ysi s TRP 12 Cb 0.09 -2.97 -0.03 0.00 -1.15 0.00 0.00 33.47 29.40 2ysi s TRP 12 CO 0.14 -1.17 -0.12 0.08 0.02 0.00 0.00 176.95 175.91 2ysi s VAL 13 N -3.24 3.28 -0.20 4.03 1.01 0.17 -4.87 120.40 120.58 2ysi s VAL 13 Ca 0.58 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 61.45 2ysi s VAL 13 Cb -0.12 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 2ysi s VAL 13 CO 0.53 0.43 0.79 -0.70 0.00 0.00 0.00 175.10 176.14 2ysi s GLU 14 N -1.26 4.24 0.29 2.72 2.12 -1.26 -1.28 118.70 124.28 2ysi s GLU 14 Ca 0.15 0.91 0.02 0.00 0.36 0.00 0.00 54.97 56.40 2ysi s GLU 14 Cb -0.11 -3.60 -0.02 0.00 0.26 0.00 0.00 34.13 30.66 2ysi s GLU 14 CO 0.05 -0.37 0.30 -0.80 -0.54 0.00 0.00 175.26 173.91 2ysi s ASN 15 N 1.22 1.00 -0.13 -1.70 0.01 -0.54 -5.00 114.94 109.81 2ysi s ASN 15 Ca 0.35 -1.55 -0.04 0.00 -0.71 0.00 0.00 52.86 50.91 2ysi s ASN 15 Cb -0.16 0.54 0.06 0.00 0.41 0.00 0.00 41.25 42.10 2ysi s ASN 15 CO 0.10 -1.07 0.23 -0.75 -1.51 0.00 0.00 177.10 174.10 2ysi s LYS 16 N -3.57 0.12 0.94 -0.60 2.47 -1.26 -0.15 119.74 117.69 2ysi s LYS 16 Ca 0.37 0.62 -0.13 0.00 -1.56 0.00 0.00 55.97 55.27 2ysi s LYS 16 Cb 0.03 -0.26 0.03 0.00 -1.46 0.00 0.00 37.83 36.16 2ysi s LYS 16 CO 0.21 -0.34 0.38 0.25 0.16 0.00 0.00 175.35 176.01 2ysi n THR 17 N 5.34 0.10 0.98 3.43 -2.24 0.40 -4.80 114.28 117.48 2ysi n THR 17 Ca -0.05 -0.21 0.04 0.00 -2.27 0.00 0.00 64.05 61.55 2ysi n THR 17 Cb 0.50 -0.61 0.22 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.54 0.49 -0.11 -0.78 -0.04 -1.26 -2.45 135.00 129.31 2ysi n PRO 18 Ca 0.07 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.39 2ysi n PRO 18 Cb 0.53 -1.24 -0.13 0.00 -0.04 0.00 0.00 33.50 32.63 2ysi n PRO 18 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ysi n ASP 19 N -0.74 1.39 0.00 3.54 8.00 -1.26 -5.02 116.55 122.47 2ysi n ASP 19 Ca 0.06 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.48 2ysi n ASP 19 Cb 0.03 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 2ysi n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ysi n GLY 20 N 2.14 0.86 2.90 0.44 0.00 -1.02 -5.15 105.19 105.36 2ysi n GLY 20 Ca -0.38 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 1.25 0.12 1.61 3.01 -1.26 -4.97 119.74 119.50 2ysi s LYS 21 Ca 0.00 -0.19 -0.30 0.00 -1.01 0.00 0.00 55.97 54.47 2ysi s LYS 21 Cb 0.00 -1.29 -0.06 0.00 -1.01 0.00 0.00 37.83 35.47 2ysi s LYS 21 CO 0.00 -0.18 1.12 0.08 0.51 0.00 0.00 175.35 176.87 2ysi s VAL 22 N 1.41 4.05 0.34 3.17 1.01 -1.26 -0.46 120.40 128.66 2ysi s VAL 22 Ca -0.02 1.62 0.05 0.00 0.00 0.00 0.00 61.98 63.63 2ysi s VAL 22 Cb -0.13 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2ysi s VAL 22 CO -0.04 0.21 0.19 -0.72 0.00 0.00 0.00 175.10 174.74 2ysi s TYR 23 N 0.34 1.70 -0.06 5.22 1.13 0.79 -4.83 117.35 121.64 2ysi s TYR 23 Ca 0.53 -1.45 0.04 0.00 -1.41 0.00 0.00 57.07 54.78 2ysi s TYR 23 Cb -0.28 -0.89 -0.00 0.00 -1.10 0.00 0.00 41.96 39.69 2ysi s TYR 23 CO 0.32 -0.58 -0.18 0.71 -2.51 0.00 0.00 175.55 173.31 2ysi s TYR 24 N -3.45 1.86 -0.16 -3.49 2.02 -0.12 -1.46 117.35 112.55 2ysi s TYR 24 Ca 0.34 -0.60 -0.01 0.00 -0.37 0.00 0.00 57.07 56.43 2ysi s TYR 24 Cb 0.03 -1.26 -0.01 0.00 -0.40 0.00 0.00 41.96 40.32 2ysi s TYR 24 CO 0.20 -0.23 -0.11 -0.47 -1.57 0.00 0.00 175.55 173.37 2ysi s TYR 25 N 0.17 2.85 0.03 2.71 6.14 -0.41 -0.44 117.35 128.42 2ysi s TYR 25 Ca -0.08 -0.76 -0.25 0.00 0.64 0.00 0.00 57.07 56.62 2ysi s TYR 25 Cb -0.13 -1.92 -0.05 0.00 0.42 0.00 0.00 41.96 40.28 2ysi s TYR 25 CO 0.04 -0.32 0.78 1.21 0.64 0.00 0.00 175.55 177.90 2ysi s ASN 26 N 0.68 7.22 0.12 4.32 3.04 -0.43 0.41 114.94 130.29 2ysi s ASN 26 Ca -0.06 1.46 0.24 0.00 0.04 0.00 0.00 52.86 54.54 2ysi s ASN 26 Cb -0.15 -2.48 0.41 0.00 -1.54 0.00 0.00 41.25 37.49 2ysi s ASN 26 CO 0.02 -0.02 1.38 0.00 -3.04 0.00 0.00 177.10 175.44 2ysi n ALA 27 N 2.98 2.90 -0.03 1.71 0.00 -1.25 -0.78 120.51 126.03 2ysi n ALA 27 Ca -0.01 -0.23 -0.19 0.00 0.00 0.00 0.00 53.44 53.00 2ysi n ALA 27 Cb 0.50 -1.20 -0.13 0.00 0.00 0.00 0.00 19.45 18.62 2ysi n ALA 27 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2ysi h ARG 28 N 0.00 0.13 0.00 0.00 1.12 -1.92 -3.38 114.38 110.33 2ysi h ARG 28 Ca 0.00 -0.22 0.00 0.00 -1.11 0.00 0.00 59.98 58.65 2ysi h ARG 28 Cb 0.72 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.77 2ysi h ARG 28 CO 0.00 1.10 -1.66 0.25 -3.11 0.00 0.00 179.97 176.56 2ysi n THR 29 N -4.28 0.11 -3.00 0.20 -2.24 -1.26 -4.99 114.28 98.83 2ysi n THR 29 Ca -0.20 -0.44 -0.15 0.00 -2.27 0.00 0.00 64.05 61.00 2ysi n THR 29 Cb 0.71 0.06 0.04 0.00 -2.10 0.00 0.00 70.33 69.04 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 -2.22 -4.24 -4.06 -0.78 1.74 0.04 -5.03 116.66 102.11 2ysi n ARG 30 Ca -0.02 0.55 -0.25 0.00 -0.77 0.00 0.00 57.85 57.36 2ysi n ARG 30 Cb 0.53 -4.69 -0.05 0.00 -1.02 0.00 0.00 32.46 27.23 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 -5.59 2.27 -0.11 5.56 0.41 -1.19 -4.91 118.70 115.14 2ysi s GLU 31 Ca 0.30 -1.90 0.01 0.00 -0.41 0.00 0.00 54.97 52.97 2ysi s GLU 31 Cb -0.13 -2.02 0.02 0.00 -1.78 0.00 0.00 34.13 30.22 2ysi s GLU 31 CO 0.37 -0.27 -0.15 -1.54 -0.49 0.00 0.00 175.26 173.18 2ysi s SER 32 N -4.02 2.48 -0.06 -0.19 1.04 -1.26 -1.32 113.70 110.37 2ysi s SER 32 Ca 0.37 -0.44 -0.02 0.00 0.48 0.00 0.00 55.95 56.34 2ysi s SER 32 Cb 0.01 -1.10 0.04 0.00 0.10 0.00 0.00 66.02 65.07 2ysi s SER 32 CO 0.21 0.00 0.12 0.00 0.98 0.00 0.00 173.24 174.56 2ysi s ALA 33 N 1.07 -0.16 0.11 5.32 0.00 0.42 -4.99 121.76 123.52 2ysi s ALA 33 Ca -0.05 0.57 -0.22 0.00 0.00 0.00 0.00 51.96 52.27 2ysi s ALA 33 Cb -0.15 -0.46 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 2ysi s ALA 33 CO -0.03 -0.21 1.36 0.91 0.00 0.00 0.00 175.76 177.80 2ysi n TRP 34 N 4.38 -0.31 -4.15 0.00 5.03 -1.26 -0.95 117.44 120.18 2ysi n TRP 34 Ca -0.23 0.87 -0.23 0.00 3.03 0.00 0.00 57.50 60.94 2ysi n TRP 34 Cb 0.51 -0.55 -0.05 0.00 -1.03 0.00 0.00 31.31 30.18 2ysi n TRP 34 CO 0.00 0.00 0.00 -0.08 -0.03 0.00 0.00 177.69 177.58 2ysi s THR 35 N -4.77 4.19 0.28 -0.99 -1.32 -1.26 -2.94 115.64 108.83 2ysi s THR 35 Ca -0.08 -1.45 -0.19 0.00 -1.21 0.00 0.00 61.69 58.75 2ysi s THR 35 Cb 0.08 -3.22 -0.09 0.00 -1.51 0.00 0.00 72.50 67.75 2ysi s THR 35 CO 0.43 -0.29 0.77 -0.54 -2.21 0.00 0.00 174.62 172.78 2ysi s LYS 36 N -3.60 4.22 1.20 7.08 1.02 -1.26 -4.88 119.74 123.52 2ysi s LYS 36 Ca 0.32 0.88 -0.19 0.00 0.02 0.00 0.00 55.97 57.00 2ysi s LYS 36 Cb -0.08 -2.70 0.29 0.00 -0.52 0.00 0.00 37.83 34.82 2ysi s LYS 36 CO 0.23 0.29 1.11 -1.25 -0.92 0.00 0.00 175.35 174.80 2ysi s PRO 37 N -2.35 -1.22 -0.02 -1.68 0.04 -1.26 -5.07 135.00 123.44 2ysi s PRO 37 Ca 0.48 -0.06 0.06 0.00 0.04 0.00 0.00 61.00 61.52 2ysi s PRO 37 Cb -0.15 -1.60 -0.01 0.00 0.04 0.00 0.00 34.50 32.78 2ysi s PRO 37 CO 0.20 -3.71 -0.20 0.16 0.04 0.00 0.00 177.00 173.49 2ysi s ASP 38 N -3.88 2.32 0.00 6.66 1.47 -1.26 -4.81 116.67 117.18 2ysi s ASP 38 Ca 0.71 -0.36 0.00 0.00 1.18 0.00 0.00 52.55 54.08 2ysi s ASP 38 Cb -0.10 -0.29 0.00 0.00 -0.34 0.00 0.00 42.92 42.20 2ysi s ASP 38 CO 0.56 0.24 0.00 0.61 0.68 0.00 0.00 175.17 177.26 2ysi n GLY 39 N 2.63 3.10 0.00 2.12 0.00 -1.26 -5.34 105.19 106.44 2ysi n GLY 39 Ca -0.15 -0.86 0.02 0.00 0.00 0.00 0.00 46.02 45.03 2ysi n GLY 39 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87