#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysi n SER 2 N 0.00 -5.46 -4.56 1.61 7.64 -1.26 -4.95 113.62 106.64 2ysi n SER 2 Ca 0.00 -0.55 -0.42 0.00 1.01 0.00 0.00 58.87 58.91 2ysi n SER 2 Cb 0.00 -5.00 -0.07 0.00 -1.01 0.00 0.00 64.21 58.13 2ysi n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ysi s SER 3 N -3.53 6.40 0.00 6.43 0.15 -1.26 -4.74 113.70 117.15 2ysi s SER 3 Ca 0.46 0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.15 2ysi s SER 3 Cb -0.20 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2ysi s SER 3 CO 0.72 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2ysi n GLY 4 N 4.75 0.00 3.37 9.45 0.00 -1.26 -5.17 105.19 116.33 2ysi n GLY 4 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2ysi n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ysi s SER 5 N 0.00 -0.41 0.16 1.61 1.04 -1.26 -5.06 113.70 109.77 2ysi s SER 5 Ca 0.00 -0.15 -0.30 0.00 0.48 0.00 0.00 55.95 55.98 2ysi s SER 5 Cb 0.00 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 2ysi s SER 5 CO 0.00 -0.91 1.54 -1.28 0.98 0.00 0.00 173.24 173.58 2ysi h SER 6 N 2.19 -2.00 0.00 7.02 0.87 -2.02 -3.46 113.55 116.15 2ysi h SER 6 Ca -0.34 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2ysi h SER 6 Cb 1.28 0.88 0.00 0.00 -0.44 0.00 0.00 62.40 64.12 2ysi h SER 6 CO 0.42 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.05 2ysi n GLY 7 N -1.31 -1.21 3.42 5.77 0.00 -1.26 -5.16 105.19 105.45 2ysi n GLY 7 Ca 0.01 0.61 -0.29 0.00 0.00 0.00 0.00 46.02 46.34 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 0.32 1.60 -0.09 2.61 -4.23 -1.26 -5.03 115.64 109.57 2ysi s THR 8 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.49 2ysi s THR 8 Cb 0.00 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 2ysi s THR 8 CO 0.00 0.00 -0.01 -1.83 -0.54 0.00 0.00 174.62 172.24 2ysi s GLU 9 N -4.87 2.97 1.25 3.99 -1.05 -1.26 -5.02 118.70 114.72 2ysi s GLU 9 Ca 0.69 -0.43 -0.19 0.00 -0.15 0.00 0.00 54.97 54.88 2ysi s GLU 9 Cb -0.18 -2.77 0.30 0.00 -0.44 0.00 0.00 34.13 31.05 2ysi s GLU 9 CO 0.60 0.68 1.05 -1.21 0.95 0.00 0.00 175.26 177.34 2ysi s GLU 10 N -0.83 -1.60 0.00 -4.83 0.41 -1.26 -4.87 118.70 105.72 2ysi s GLU 10 Ca 0.13 0.09 0.09 0.00 -0.41 0.00 0.00 54.97 54.86 2ysi s GLU 10 Cb -0.11 -1.54 0.51 0.00 -1.78 0.00 0.00 34.13 31.21 2ysi s GLU 10 CO 0.02 -3.99 1.17 -0.89 -0.49 0.00 0.00 175.26 171.08 2ysi n ILE 11 N -4.99 0.00 -1.93 -1.63 5.41 -1.26 -4.82 119.36 110.14 2ysi n ILE 11 Ca 0.12 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.57 2ysi n ILE 11 Cb 0.59 -0.26 0.03 0.00 -0.71 0.00 0.00 39.64 39.30 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 3.42 -0.07 1.39 0.52 -1.26 -4.03 118.94 116.91 2ysi s TRP 12 Ca 0.13 1.09 0.00 0.00 0.02 0.00 0.00 56.10 57.34 2ysi s TRP 12 Cb 0.06 -2.93 -0.03 0.00 -1.15 0.00 0.00 33.47 29.42 2ysi s TRP 12 CO 0.10 -0.99 -0.05 0.08 0.02 0.00 0.00 176.95 176.11 2ysi s VAL 13 N -3.27 3.83 -0.21 4.03 1.01 0.16 -4.87 120.40 121.08 2ysi s VAL 13 Ca 0.57 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.88 2ysi s VAL 13 Cb -0.11 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 2ysi s VAL 13 CO 0.52 0.60 0.77 -0.70 0.00 0.00 0.00 175.10 176.28 2ysi s GLU 14 N -0.79 4.22 0.29 2.72 2.12 -1.26 -1.42 118.70 124.57 2ysi s GLU 14 Ca 0.12 0.85 0.02 0.00 0.36 0.00 0.00 54.97 56.32 2ysi s GLU 14 Cb -0.11 -3.61 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 2ysi s GLU 14 CO 0.02 -0.39 0.28 -0.80 -0.54 0.00 0.00 175.26 173.82 2ysi s ASN 15 N 1.27 0.95 -0.08 -1.70 0.01 -0.72 -5.02 114.94 109.65 2ysi s ASN 15 Ca 0.34 -1.54 -0.03 0.00 -0.71 0.00 0.00 52.86 50.91 2ysi s ASN 15 Cb -0.16 0.52 0.04 0.00 0.41 0.00 0.00 41.25 42.07 2ysi s ASN 15 CO 0.10 -1.04 0.13 -0.75 -1.51 0.00 0.00 177.10 174.03 2ysi s LYS 16 N -3.64 0.01 0.80 -0.60 2.47 -1.26 -0.43 119.74 117.09 2ysi s LYS 16 Ca 0.37 0.48 -0.15 0.00 -1.56 0.00 0.00 55.97 55.12 2ysi s LYS 16 Cb 0.03 -0.42 -0.01 0.00 -1.46 0.00 0.00 37.83 35.97 2ysi s LYS 16 CO 0.20 -0.34 0.51 0.25 0.16 0.00 0.00 175.35 176.14 2ysi n THR 17 N 5.32 1.22 0.98 3.43 -2.24 0.13 -4.80 114.28 118.32 2ysi n THR 17 Ca -0.04 -0.32 0.01 0.00 -2.27 0.00 0.00 64.05 61.42 2ysi n THR 17 Cb 0.50 -0.72 0.06 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.14 0.49 -0.03 -0.78 -0.04 -1.26 -2.12 135.00 130.12 2ysi n PRO 18 Ca 0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.53 2ysi n PRO 18 Cb 0.51 -1.07 -0.08 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.57 2.57 0.00 3.54 9.92 -1.26 -5.03 116.55 125.72 2ysi n ASP 19 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.28 2ysi n ASP 19 Cb 0.01 0.98 0.00 0.00 -0.64 0.00 0.00 41.12 41.47 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 2.23 0.96 2.94 0.44 0.00 -0.90 -5.15 105.19 105.72 2ysi n GLY 20 Ca -0.12 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 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 0.10 0.00 1.61 3.01 -1.25 -4.96 119.74 118.26 2ysi s LYS 21 Ca 0.00 0.68 -0.30 0.00 -1.01 0.00 0.00 55.97 55.33 2ysi s LYS 21 Cb 0.00 -0.13 -0.04 0.00 -1.01 0.00 0.00 37.83 36.65 2ysi s LYS 21 CO 0.00 -0.29 1.13 0.08 0.51 0.00 0.00 175.35 176.78 2ysi s VAL 22 N 2.35 4.36 0.40 3.17 1.01 -1.26 0.18 120.40 130.60 2ysi s VAL 22 Ca 0.02 1.68 0.04 0.00 0.00 0.00 0.00 61.98 63.72 2ysi s VAL 22 Cb -0.12 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 2ysi s VAL 22 CO -0.07 0.08 0.14 -0.72 0.00 0.00 0.00 175.10 174.53 2ysi s TYR 23 N 1.44 1.78 -0.07 5.22 1.13 0.43 -4.78 117.35 122.51 2ysi s TYR 23 Ca 0.55 -1.30 0.03 0.00 -1.41 0.00 0.00 57.07 54.94 2ysi s TYR 23 Cb -0.25 -1.12 0.01 0.00 -1.10 0.00 0.00 41.96 39.50 2ysi s TYR 23 CO 0.26 -0.34 -0.15 0.71 -2.51 0.00 0.00 175.55 173.53 2ysi s TYR 24 N -3.25 1.64 -0.16 -3.49 2.02 -0.23 -1.76 117.35 112.12 2ysi s TYR 24 Ca 0.26 -0.59 -0.02 0.00 -0.37 0.00 0.00 57.07 56.35 2ysi s TYR 24 Cb 0.03 -1.16 -0.01 0.00 -0.40 0.00 0.00 41.96 40.41 2ysi s TYR 24 CO 0.16 -0.27 -0.10 -0.47 -1.57 0.00 0.00 175.55 173.29 2ysi s TYR 25 N 0.50 2.88 -0.03 2.71 6.14 -0.51 -1.78 117.35 127.26 2ysi s TYR 25 Ca -0.13 -0.73 -0.25 0.00 0.64 0.00 0.00 57.07 56.60 2ysi s TYR 25 Cb -0.15 -1.93 -0.04 0.00 0.42 0.00 0.00 41.96 40.26 2ysi s TYR 25 CO 0.04 -0.31 0.76 1.21 0.64 0.00 0.00 175.55 177.90 2ysi s ASN 26 N 0.70 7.11 0.01 4.32 3.04 -1.05 0.40 114.94 129.46 2ysi s ASN 26 Ca -0.05 1.33 0.28 0.00 0.04 0.00 0.00 52.86 54.46 2ysi s ASN 26 Cb -0.15 -2.45 0.98 0.00 -1.54 0.00 0.00 41.25 38.09 2ysi s ASN 26 CO 0.02 -0.11 1.75 0.00 -3.04 0.00 0.00 177.10 175.73 2ysi n ALA 27 N 3.56 2.72 -0.10 1.71 0.00 -1.26 -0.10 120.51 127.03 2ysi n ALA 27 Ca -0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 53.44 53.04 2ysi n ALA 27 Cb 0.51 -1.36 -0.12 0.00 0.00 0.00 0.00 19.45 18.48 2ysi n ALA 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2ysi n ARG 28 N -1.54 0.65 0.02 0.00 0.00 -1.26 -4.53 116.66 110.00 2ysi n ARG 28 Ca 0.06 0.23 0.10 0.00 -0.00 0.00 0.00 57.85 58.24 2ysi n ARG 28 Cb 0.34 -1.57 -0.12 0.00 0.00 0.00 0.00 32.46 31.11 2ysi n ARG 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2ysi n THR 29 N -3.60 0.29 -2.94 5.15 -2.24 -1.25 -4.99 114.28 104.70 2ysi n THR 29 Ca -0.44 -0.54 -0.19 0.00 -2.27 0.00 0.00 64.05 60.60 2ysi n THR 29 Cb 0.96 -0.15 0.03 0.00 -2.10 0.00 0.00 70.33 69.07 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 -2.42 -4.37 -3.41 -0.78 1.74 0.85 -5.00 116.66 103.27 2ysi n ARG 30 Ca -0.05 0.79 -0.21 0.00 -0.77 0.00 0.00 57.85 57.61 2ysi n ARG 30 Cb 0.61 -5.40 0.00 0.00 -1.02 0.00 0.00 32.46 26.65 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 -5.56 2.49 -0.15 5.56 2.02 -1.24 -4.89 118.70 116.94 2ysi s GLU 31 Ca 0.27 -1.59 -0.01 0.00 0.02 0.00 0.00 54.97 53.67 2ysi s GLU 31 Cb -0.12 -2.45 0.04 0.00 0.10 0.00 0.00 34.13 31.69 2ysi s GLU 31 CO 0.34 -0.42 -0.06 -1.54 0.02 0.00 0.00 175.26 173.60 2ysi s SER 32 N -4.31 2.57 -0.05 -0.19 1.04 -1.26 -2.53 113.70 108.97 2ysi s SER 32 Ca 0.50 -0.52 -0.02 0.00 0.48 0.00 0.00 55.95 56.39 2ysi s SER 32 Cb -0.05 -0.87 0.03 0.00 0.10 0.00 0.00 66.02 65.24 2ysi s SER 32 CO 0.30 -0.16 0.10 0.00 0.98 0.00 0.00 173.24 174.45 2ysi s ALA 33 N 1.68 -0.12 0.17 5.32 0.00 -0.73 -4.99 121.76 123.08 2ysi s ALA 33 Ca 0.02 0.53 -0.27 0.00 0.00 0.00 0.00 51.96 52.24 2ysi s ALA 33 Cb -0.14 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.63 2ysi s ALA 33 CO -0.08 -0.14 1.56 -1.49 0.00 0.00 0.00 175.76 175.61 2ysi h TRP 34 N 7.25 -1.45 -2.81 0.00 -0.00 -1.86 -0.59 115.95 116.49 2ysi h TRP 34 Ca -0.44 0.10 -0.59 0.00 -0.00 0.00 0.00 58.89 57.96 2ysi h TRP 34 Cb 1.13 0.73 -0.07 0.00 -0.00 0.00 0.00 29.16 30.96 2ysi h TRP 34 CO 0.46 -0.42 -0.56 -0.08 -0.00 0.00 0.00 178.44 177.84 2ysi s THR 35 N -5.75 4.63 -0.07 1.49 -1.32 -1.26 -3.41 115.64 109.95 2ysi s THR 35 Ca -0.14 -0.93 -0.07 0.00 -1.21 0.00 0.00 61.69 59.33 2ysi s THR 35 Cb 0.13 -3.33 -0.04 0.00 -1.51 0.00 0.00 72.50 67.75 2ysi s THR 35 CO 0.65 -0.04 0.20 -1.59 -2.21 0.00 0.00 174.62 171.63 2ysi s LYS 36 N -2.93 3.53 0.78 7.08 -2.85 -1.26 -4.86 119.74 119.22 2ysi s LYS 36 Ca 0.31 -0.07 -0.11 0.00 -1.00 0.00 0.00 55.97 55.10 2ysi s LYS 36 Cb -0.11 -3.16 0.06 0.00 -2.06 0.00 0.00 37.83 32.56 2ysi s LYS 36 CO 0.24 0.73 1.09 -1.25 0.10 0.00 0.00 175.35 176.26 2ysi s PRO 37 N -1.28 2.18 -0.24 1.78 0.04 -1.26 -5.05 135.00 131.17 2ysi s PRO 37 Ca 0.20 1.15 0.02 0.00 0.04 0.00 0.00 61.00 62.41 2ysi s PRO 37 Cb -0.13 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.57 2ysi s PRO 37 CO 0.09 -1.69 -0.12 -0.51 0.04 0.00 0.00 177.00 174.81 2ysi s ASP 38 N -3.39 4.16 0.00 6.66 1.01 -1.26 -4.71 116.67 119.14 2ysi s ASP 38 Ca 0.61 -1.18 0.00 0.00 0.71 0.00 0.00 52.55 52.70 2ysi s ASP 38 Cb -0.17 -1.55 0.00 0.00 1.01 0.00 0.00 42.92 42.21 2ysi s ASP 38 CO 0.56 -0.15 0.00 0.61 0.21 0.00 0.00 175.17 176.41 2ysi n GLY 39 N 4.50 4.23 0.00 0.21 0.00 -1.26 -5.29 105.19 107.58 2ysi n GLY 39 Ca -0.16 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.14 2ysi n GLY 39 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87