#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysi h SER 2 N 0.00 -1.75 -1.15 1.61 0.02 -2.14 -3.41 113.55 106.73 2ysi h SER 2 Ca 0.00 0.31 -0.45 0.00 -0.84 0.00 0.00 61.79 60.80 2ysi h SER 2 Cb 0.00 0.82 0.02 0.00 0.14 0.00 0.00 62.40 63.39 2ysi h SER 2 CO 0.00 -0.28 -0.19 -0.94 -1.14 0.00 0.00 176.83 174.28 2ysi s SER 3 N -5.37 5.39 0.00 3.07 1.04 -1.26 -4.94 113.70 111.63 2ysi s SER 3 Ca -0.13 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2ysi s SER 3 Cb 0.15 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.04 2ysi s SER 3 CO 0.66 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2ysi n GLY 4 N -2.01 -0.60 3.31 7.32 0.00 -1.26 -5.11 105.19 106.85 2ysi n GLY 4 Ca 0.11 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 2ysi n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysi s SER 5 N -0.32 3.11 0.08 1.61 0.01 -1.26 -4.96 113.70 111.98 2ysi s SER 5 Ca 0.00 -0.46 -0.34 0.00 1.31 0.00 0.00 55.95 56.46 2ysi s SER 5 Cb 0.00 -0.43 -0.17 0.00 0.21 0.00 0.00 66.02 65.63 2ysi s SER 5 CO 0.00 0.31 1.60 0.28 0.41 0.00 0.00 173.24 175.84 2ysi h SER 6 N 5.56 -1.07 0.00 2.44 0.02 -2.03 -3.48 113.55 114.98 2ysi h SER 6 Ca -0.42 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2ysi h SER 6 Cb 1.13 0.33 0.00 0.00 0.14 0.00 0.00 62.40 64.00 2ysi h SER 6 CO 0.47 -0.61 0.00 0.61 -1.14 0.00 0.00 176.83 176.16 2ysi n GLY 7 N -1.53 1.05 3.77 -3.77 0.00 -1.26 -4.98 105.19 98.47 2ysi n GLY 7 Ca -0.12 -1.04 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 2ysi n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ysi s THR 8 N 0.00 5.22 0.27 2.61 -4.23 -1.26 -5.09 115.64 113.16 2ysi s THR 8 Ca 0.00 0.68 0.12 0.00 -1.18 0.00 0.00 61.69 61.30 2ysi s THR 8 Cb 0.00 -3.67 -0.05 0.00 1.34 0.00 0.00 72.50 70.12 2ysi s THR 8 CO 0.00 0.45 -0.20 -1.61 -0.54 0.00 0.00 174.62 172.72 2ysi s GLU 9 N -0.09 1.66 1.23 3.99 8.01 -1.26 -5.13 118.70 127.11 2ysi s GLU 9 Ca 0.20 -1.73 -0.18 0.00 0.01 0.00 0.00 54.97 53.27 2ysi s GLU 9 Cb -0.14 -1.79 0.27 0.00 -4.31 0.00 0.00 34.13 28.16 2ysi s GLU 9 CO 0.08 0.34 0.60 0.39 0.01 0.00 0.00 175.26 176.68 2ysi n GLU 10 N -0.48 -3.39 0.00 1.61 4.71 -1.26 -4.81 120.64 117.03 2ysi n GLU 10 Ca -0.06 -1.00 0.03 0.00 -0.01 0.00 0.00 57.16 56.12 2ysi n GLU 10 Cb 0.59 -1.73 0.19 0.00 -1.01 0.00 0.00 31.44 29.49 2ysi n GLU 10 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 2ysi n ILE 11 N -5.07 0.00 -1.97 -3.67 5.41 -1.26 -4.83 119.36 107.97 2ysi n ILE 11 Ca 0.09 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.54 2ysi n ILE 11 Cb 0.48 -0.19 0.03 0.00 -0.71 0.00 0.00 39.64 39.25 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 3.45 -0.01 1.39 0.52 -1.26 -3.90 118.94 117.12 2ysi s TRP 12 Ca 0.10 1.09 0.04 0.00 0.02 0.00 0.00 56.10 57.35 2ysi s TRP 12 Cb 0.04 -2.87 -0.03 0.00 -1.15 0.00 0.00 33.47 29.47 2ysi s TRP 12 CO 0.08 -0.91 -0.13 0.08 0.02 0.00 0.00 176.95 176.08 2ysi s VAL 13 N -3.22 3.18 -0.18 4.03 1.01 0.14 -4.88 120.40 120.48 2ysi s VAL 13 Ca 0.56 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 2ysi s VAL 13 Cb -0.11 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 2ysi s VAL 13 CO 0.52 0.48 0.77 -0.70 0.00 0.00 0.00 175.10 176.16 2ysi s GLU 14 N -1.09 4.27 0.29 2.72 2.12 -1.26 -1.29 118.70 124.46 2ysi s GLU 14 Ca 0.14 0.89 0.00 0.00 0.36 0.00 0.00 54.97 56.36 2ysi s GLU 14 Cb -0.11 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.69 2ysi s GLU 14 CO 0.04 -0.30 0.32 -0.80 -0.54 0.00 0.00 175.26 173.98 2ysi s ASN 15 N 1.17 0.90 -0.10 -1.70 0.01 -0.55 -5.00 114.94 109.67 2ysi s ASN 15 Ca 0.35 -1.51 -0.04 0.00 -0.71 0.00 0.00 52.86 50.96 2ysi s ASN 15 Cb -0.16 0.55 0.05 0.00 0.41 0.00 0.00 41.25 42.10 2ysi s ASN 15 CO 0.12 -1.09 0.18 -0.75 -1.51 0.00 0.00 177.10 174.05 2ysi s LYS 16 N -3.56 0.06 0.90 -0.60 2.47 -1.26 -0.14 119.74 117.62 2ysi s LYS 16 Ca 0.36 0.55 -0.13 0.00 -1.56 0.00 0.00 55.97 55.18 2ysi s LYS 16 Cb 0.02 -0.34 0.02 0.00 -1.46 0.00 0.00 37.83 36.07 2ysi s LYS 16 CO 0.20 -0.34 0.41 0.25 0.16 0.00 0.00 175.35 176.03 2ysi n THR 17 N 5.33 0.39 0.97 3.43 -2.24 0.11 -4.80 114.28 117.47 2ysi n THR 17 Ca -0.05 -0.24 0.03 0.00 -2.27 0.00 0.00 64.05 61.52 2ysi n THR 17 Cb 0.50 -0.64 0.17 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.42 0.49 -0.08 -0.78 -0.04 -1.26 -2.27 135.00 129.64 2ysi n PRO 18 Ca 0.07 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.45 2ysi n PRO 18 Cb 0.53 -1.19 -0.12 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.69 1.27 0.00 3.54 9.92 -1.26 -5.02 116.55 124.31 2ysi n ASP 19 Ca 0.04 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 2ysi n ASP 19 Cb 0.02 0.75 0.00 0.00 -0.64 0.00 0.00 41.12 41.25 2ysi n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ysi n GLY 20 N 2.09 0.82 2.83 0.44 0.00 -0.96 -5.15 105.19 105.26 2ysi n GLY 20 Ca -0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 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 0.76 -0.01 1.61 3.01 -1.26 -4.96 119.74 118.90 2ysi s LYS 21 Ca 0.00 -0.01 -0.30 0.00 -1.01 0.00 0.00 55.97 54.65 2ysi s LYS 21 Cb 0.00 -0.95 -0.03 0.00 -1.01 0.00 0.00 37.83 35.84 2ysi s LYS 21 CO 0.00 -0.20 1.07 0.08 0.51 0.00 0.00 175.35 176.81 2ysi s VAL 22 N 1.48 4.57 0.39 3.17 1.01 -1.26 0.08 120.40 129.83 2ysi s VAL 22 Ca -0.02 1.85 0.04 0.00 0.00 0.00 0.00 61.98 63.85 2ysi s VAL 22 Cb -0.13 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 2ysi s VAL 22 CO -0.03 0.10 0.15 -0.72 0.00 0.00 0.00 175.10 174.59 2ysi s TYR 23 N 1.38 1.77 -0.05 5.22 1.13 0.80 -4.80 117.35 122.80 2ysi s TYR 23 Ca 0.53 -1.33 0.04 0.00 -1.41 0.00 0.00 57.07 54.90 2ysi s TYR 23 Cb -0.23 -1.08 -0.00 0.00 -1.10 0.00 0.00 41.96 39.55 2ysi s TYR 23 CO 0.26 -0.38 -0.17 0.71 -2.51 0.00 0.00 175.55 173.45 2ysi s TYR 24 N -3.27 1.76 -0.15 -3.49 2.02 -0.10 -1.48 117.35 112.64 2ysi s TYR 24 Ca 0.27 -0.55 -0.01 0.00 -0.37 0.00 0.00 57.07 56.41 2ysi s TYR 24 Cb 0.03 -1.20 -0.01 0.00 -0.40 0.00 0.00 41.96 40.38 2ysi s TYR 24 CO 0.16 -0.20 -0.11 -0.47 -1.57 0.00 0.00 175.55 173.35 2ysi s TYR 25 N 0.15 2.85 -0.02 2.71 6.14 -0.41 -0.88 117.35 127.89 2ysi s TYR 25 Ca -0.07 -0.78 -0.24 0.00 0.64 0.00 0.00 57.07 56.63 2ysi s TYR 25 Cb -0.13 -1.91 -0.04 0.00 0.42 0.00 0.00 41.96 40.30 2ysi s TYR 25 CO 0.03 -0.33 0.71 1.21 0.64 0.00 0.00 175.55 177.81 2ysi s ASN 26 N 0.68 7.07 0.03 4.32 3.04 -0.77 0.26 114.94 129.57 2ysi s ASN 26 Ca -0.06 1.28 0.26 0.00 0.04 0.00 0.00 52.86 54.39 2ysi s ASN 26 Cb -0.15 -2.43 0.78 0.00 -1.54 0.00 0.00 41.25 37.91 2ysi s ASN 26 CO 0.02 -0.04 1.62 0.00 -3.04 0.00 0.00 177.10 175.66 2ysi n ALA 27 N 3.30 2.90 -0.04 1.71 0.00 -1.25 -0.33 120.51 126.79 2ysi n ALA 27 Ca -0.02 -0.22 -0.21 0.00 0.00 0.00 0.00 53.44 52.99 2ysi n ALA 27 Cb 0.51 -1.29 -0.13 0.00 0.00 0.00 0.00 19.45 18.54 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 0.14 0.00 0.00 1.12 -1.92 -3.39 114.38 110.33 2ysi h ARG 28 Ca 0.00 -0.25 0.00 0.00 -1.11 0.00 0.00 59.98 58.62 2ysi h ARG 28 Cb 0.55 0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.60 2ysi h ARG 28 CO 0.00 1.12 -1.65 0.25 -3.11 0.00 0.00 179.97 176.58 2ysi n THR 29 N -4.01 0.00 -3.23 0.20 -2.24 -1.25 -4.99 114.28 98.76 2ysi n THR 29 Ca -0.30 -0.33 -0.20 0.00 -2.27 0.00 0.00 64.05 60.96 2ysi n THR 29 Cb 0.85 0.35 0.05 0.00 -2.10 0.00 0.00 70.33 69.48 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 -2.00 -5.79 -3.97 -0.78 1.74 0.55 -5.01 116.66 101.40 2ysi n ARG 30 Ca -0.01 0.73 -0.25 0.00 -0.77 0.00 0.00 57.85 57.55 2ysi n ARG 30 Cb 0.49 -5.37 -0.04 0.00 -1.02 0.00 0.00 32.46 26.52 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 -5.89 2.30 -0.10 5.56 0.41 -1.21 -4.90 118.70 114.86 2ysi s GLU 31 Ca 0.41 -1.88 0.02 0.00 -0.41 0.00 0.00 54.97 53.11 2ysi s GLU 31 Cb -0.18 -2.07 0.01 0.00 -1.78 0.00 0.00 34.13 30.11 2ysi s GLU 31 CO 0.50 -0.32 -0.15 -1.54 -0.49 0.00 0.00 175.26 173.27 2ysi s SER 32 N -4.07 2.36 -0.12 -0.19 1.04 -1.26 -1.85 113.70 109.60 2ysi s SER 32 Ca 0.38 -0.41 -0.06 0.00 0.48 0.00 0.00 55.95 56.34 2ysi s SER 32 Cb 0.00 -1.06 0.05 0.00 0.10 0.00 0.00 66.02 65.11 2ysi s SER 32 CO 0.22 0.02 0.28 0.00 0.98 0.00 0.00 173.24 174.74 2ysi s ALA 33 N 0.91 -0.66 0.16 5.32 0.00 -0.06 -4.99 121.76 122.44 2ysi s ALA 33 Ca -0.08 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.69 2ysi s ALA 33 Cb -0.15 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 2ysi s ALA 33 CO -0.00 -0.25 1.54 -1.49 0.00 0.00 0.00 175.76 175.56 2ysi h TRP 34 N 7.28 -1.74 -2.10 0.00 -0.00 -1.87 -0.23 115.95 117.30 2ysi h TRP 34 Ca -0.38 0.12 -0.51 0.00 -0.00 0.00 0.00 58.89 58.12 2ysi h TRP 34 Cb 1.16 0.87 -0.05 0.00 -0.00 0.00 0.00 29.16 31.14 2ysi h TRP 34 CO 0.34 -0.40 -0.52 -0.08 -0.00 0.00 0.00 178.44 177.78 2ysi s THR 35 N -5.60 4.05 0.05 1.49 -1.32 -1.26 -3.28 115.64 109.77 2ysi s THR 35 Ca -0.13 -1.47 -0.12 0.00 -1.21 0.00 0.00 61.69 58.77 2ysi s THR 35 Cb 0.12 -3.27 -0.06 0.00 -1.51 0.00 0.00 72.50 67.78 2ysi s THR 35 CO 0.63 -0.30 0.40 -0.54 -2.21 0.00 0.00 174.62 172.60 2ysi s LYS 36 N -3.86 3.81 0.83 7.08 1.02 -1.26 -4.86 119.74 122.50 2ysi s LYS 36 Ca 0.35 0.26 -0.11 0.00 0.02 0.00 0.00 55.97 56.49 2ysi s LYS 36 Cb -0.07 -3.08 0.09 0.00 -0.52 0.00 0.00 37.83 34.25 2ysi s LYS 36 CO 0.25 0.61 1.09 -1.25 -0.92 0.00 0.00 175.35 175.13 2ysi s PRO 37 N -1.58 1.82 0.27 -1.68 0.04 -1.26 -5.07 135.00 127.54 2ysi s PRO 37 Ca 0.29 1.01 0.08 0.00 0.04 0.00 0.00 61.00 62.42 2ysi s PRO 37 Cb -0.15 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 2ysi s PRO 37 CO 0.16 -1.91 0.17 -0.51 0.04 0.00 0.00 177.00 174.95 2ysi s ASP 38 N -3.41 5.28 -0.32 6.66 1.01 -1.26 -4.69 116.67 119.94 2ysi s ASP 38 Ca 0.62 -0.37 -0.02 0.00 0.71 0.00 0.00 52.55 53.49 2ysi s ASP 38 Cb -0.17 -1.23 0.00 0.00 1.01 0.00 0.00 42.92 42.53 2ysi s ASP 38 CO 0.56 -0.07 0.28 0.61 0.21 0.00 0.00 175.17 176.76 2ysi n GLY 39 N -1.14 0.50 0.90 0.21 0.00 -1.26 -5.32 105.19 99.09 2ysi n GLY 39 Ca -0.07 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.65 2ysi n GLY 39 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70