#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 -1.85 -2.46 1.61 4.64 -2.03 -3.41 113.55 110.04 2ysi h SER 2 Ca 0.00 0.26 -0.52 0.00 -0.47 0.00 0.00 61.79 61.06 2ysi h SER 2 Cb 0.00 0.79 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 2ysi h SER 2 CO 0.00 -0.31 -0.46 -0.94 -0.87 0.00 0.00 176.83 174.25 2ysi s SER 3 N -5.07 6.32 0.00 4.97 1.04 -1.26 -5.00 113.70 114.70 2ysi s SER 3 Ca -0.12 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.44 2ysi s SER 3 Cb 0.09 -1.89 0.00 0.00 0.10 0.00 0.00 66.02 64.32 2ysi s SER 3 CO 0.57 0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.42 2ysi n GLY 4 N -0.77 -2.52 0.06 7.32 0.00 -1.26 -4.91 105.19 103.10 2ysi n GLY 4 Ca -0.08 -1.33 -0.04 0.00 0.00 0.00 0.00 46.02 44.58 2ysi n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2ysi h SER 5 N 0.00 0.00 -3.03 1.61 0.02 -1.94 -3.43 113.55 106.78 2ysi h SER 5 Ca 0.00 -0.21 -0.67 0.00 -0.84 0.00 0.00 61.79 60.07 2ysi h SER 5 Cb 0.00 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.44 2ysi h SER 5 CO 0.00 0.68 -0.56 -0.44 -1.14 0.00 0.00 176.83 175.37 2ysi s SER 6 N -5.76 5.78 -0.22 3.07 0.01 -1.26 -4.81 113.70 110.50 2ysi s SER 6 Ca -0.07 0.25 -0.09 0.00 1.31 0.00 0.00 55.95 57.35 2ysi s SER 6 Cb -0.00 -1.72 -0.18 0.00 0.21 0.00 0.00 66.02 64.32 2ysi s SER 6 CO 0.19 0.34 -0.04 0.61 0.41 0.00 0.00 173.24 174.75 2ysi n GLY 7 N 1.68 -0.52 0.78 3.44 0.00 -1.26 -4.27 105.19 105.04 2ysi n GLY 7 Ca -0.17 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.74 2ysi n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ysi n THR 8 N -3.79 0.66 -4.29 2.61 -1.04 -1.26 -4.84 114.28 102.32 2ysi n THR 8 Ca -0.43 -0.36 -0.16 0.00 -2.04 0.00 0.00 64.05 61.07 2ysi n THR 8 Cb 0.92 -0.32 -0.10 0.00 -1.82 0.00 0.00 70.33 69.00 2ysi n THR 8 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2ysi s GLU 9 N -1.53 1.23 1.33 -2.82 2.02 -1.26 -5.16 118.70 112.52 2ysi s GLU 9 Ca 0.15 -1.61 -0.21 0.00 0.02 0.00 0.00 54.97 53.32 2ysi s GLU 9 Cb 0.11 -0.49 0.34 0.00 0.10 0.00 0.00 34.13 34.18 2ysi s GLU 9 CO 0.05 -0.10 1.00 -1.21 0.02 0.00 0.00 175.26 175.03 2ysi s GLU 10 N -3.87 -2.26 0.00 1.61 8.01 -1.26 -4.86 118.70 116.07 2ysi s GLU 10 Ca 0.26 0.06 0.14 0.00 0.01 0.00 0.00 54.97 55.43 2ysi s GLU 10 Cb 0.06 -1.46 0.81 0.00 -4.31 0.00 0.00 34.13 29.23 2ysi s GLU 10 CO 0.06 -4.42 1.34 -0.89 0.01 0.00 0.00 175.26 171.36 2ysi n ILE 11 N -5.29 0.00 -2.55 -1.63 5.41 -1.26 -4.80 119.36 109.24 2ysi n ILE 11 Ca 0.13 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.56 2ysi n ILE 11 Cb 0.60 -0.42 -0.04 0.00 -0.71 0.00 0.00 39.64 39.07 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 -0.04 1.39 0.52 -1.26 -4.08 118.94 116.92 2ysi s TRP 12 Ca 0.20 1.36 0.01 0.00 0.02 0.00 0.00 56.10 57.69 2ysi s TRP 12 Cb 0.09 -2.70 -0.03 0.00 -1.15 0.00 0.00 33.47 29.68 2ysi s TRP 12 CO 0.16 -0.28 -0.02 0.08 0.02 0.00 0.00 176.95 176.90 2ysi s VAL 13 N -2.53 4.03 -0.11 4.03 1.01 0.44 -4.88 120.40 122.39 2ysi s VAL 13 Ca 0.57 -0.49 -0.23 0.00 0.00 0.00 0.00 61.98 61.83 2ysi s VAL 13 Cb -0.10 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 2ysi s VAL 13 CO 0.30 0.50 0.71 -0.70 0.00 0.00 0.00 175.10 175.90 2ysi s GLU 14 N -1.18 4.37 0.32 2.72 2.12 -1.26 -1.50 118.70 124.28 2ysi s GLU 14 Ca 0.16 0.85 -0.03 0.00 0.36 0.00 0.00 54.97 56.31 2ysi s GLU 14 Cb -0.11 -3.50 -0.00 0.00 0.26 0.00 0.00 34.13 30.78 2ysi s GLU 14 CO 0.06 -0.07 0.43 -0.80 -0.54 0.00 0.00 175.26 174.34 2ysi s ASN 15 N 0.94 0.81 -0.12 -1.70 0.01 -0.66 -5.00 114.94 109.22 2ysi s ASN 15 Ca 0.36 -1.44 -0.04 0.00 -0.71 0.00 0.00 52.86 51.03 2ysi s ASN 15 Cb -0.17 0.62 0.06 0.00 0.41 0.00 0.00 41.25 42.17 2ysi s ASN 15 CO 0.15 -1.22 0.15 -0.75 -1.51 0.00 0.00 177.10 173.92 2ysi s LYS 16 N -3.29 0.06 1.00 -0.60 2.47 -1.26 -0.14 119.74 117.98 2ysi s LYS 16 Ca 0.31 0.36 -0.15 0.00 -1.56 0.00 0.00 55.97 54.94 2ysi s LYS 16 Cb 0.00 -0.76 0.05 0.00 -1.46 0.00 0.00 37.83 35.66 2ysi s LYS 16 CO 0.19 -0.45 0.26 0.25 0.16 0.00 0.00 175.35 175.77 2ysi n THR 17 N 5.31 0.00 0.98 3.43 -2.24 0.28 -4.80 114.28 117.24 2ysi n THR 17 Ca -0.05 -0.23 0.03 0.00 -2.27 0.00 0.00 64.05 61.53 2ysi n THR 17 Cb 0.50 -0.60 0.18 0.00 -2.10 0.00 0.00 70.33 68.31 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 -1.72 0.49 -0.13 -0.78 -0.04 -1.26 -2.99 135.00 128.57 2ysi n PRO 18 Ca 0.05 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.23 2ysi n PRO 18 Cb 0.56 -1.20 -0.10 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.70 1.94 0.00 3.54 9.92 -1.26 -5.03 116.55 124.97 2ysi n ASP 19 Ca 0.05 0.36 0.00 0.00 -0.53 0.00 0.00 54.79 54.66 2ysi n ASP 19 Cb 0.02 -0.84 0.00 0.00 -0.64 0.00 0.00 41.12 39.66 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 1.30 0.00 3.03 0.44 0.00 -1.16 -5.16 105.19 103.64 2ysi n GLY 20 Ca -0.48 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 2ysi n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ysi s LYS 21 N 0.00 0.88 0.02 1.61 0.00 -1.26 -4.99 119.74 116.00 2ysi s LYS 21 Ca 0.00 -0.36 -0.23 0.00 0.00 0.00 0.00 55.97 55.39 2ysi s LYS 21 Cb 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 37.83 36.93 2ysi s LYS 21 CO 0.00 0.19 0.68 0.08 0.00 0.00 0.00 175.35 176.30 2ysi s VAL 22 N -0.13 4.83 0.39 1.79 1.01 -1.26 -0.56 120.40 126.47 2ysi s VAL 22 Ca 0.02 1.43 0.04 0.00 0.00 0.00 0.00 61.98 63.47 2ysi s VAL 22 Cb -0.05 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.28 2ysi s VAL 22 CO -0.00 0.39 0.15 -0.72 0.00 0.00 0.00 175.10 174.91 2ysi s TYR 23 N -0.09 1.77 -0.10 5.22 1.13 0.80 -4.71 117.35 121.37 2ysi s TYR 23 Ca 0.35 -1.33 0.01 0.00 -1.41 0.00 0.00 57.07 54.68 2ysi s TYR 23 Cb -0.19 -1.08 0.02 0.00 -1.10 0.00 0.00 41.96 39.61 2ysi s TYR 23 CO 0.20 -0.38 -0.12 0.71 -2.51 0.00 0.00 175.55 173.44 2ysi s TYR 24 N -3.28 1.73 -0.19 -3.49 2.02 0.12 -1.65 117.35 112.61 2ysi s TYR 24 Ca 0.27 -0.81 -0.06 0.00 -0.37 0.00 0.00 57.07 56.11 2ysi s TYR 24 Cb 0.03 -1.30 -0.03 0.00 -0.40 0.00 0.00 41.96 40.26 2ysi s TYR 24 CO 0.16 -0.46 0.02 -0.47 -1.57 0.00 0.00 175.55 173.24 2ysi s TYR 25 N 1.15 3.10 -0.11 2.71 6.14 -0.56 -1.84 117.35 127.93 2ysi s TYR 25 Ca -0.04 -0.25 -0.20 0.00 0.64 0.00 0.00 57.07 57.22 2ysi s TYR 25 Cb -0.14 -2.07 -0.04 0.00 0.42 0.00 0.00 41.96 40.13 2ysi s TYR 25 CO -0.03 -0.08 0.56 1.21 0.64 0.00 0.00 175.55 177.85 2ysi s ASN 26 N 0.74 6.77 0.00 4.32 3.04 -1.08 -0.42 114.94 128.31 2ysi s ASN 26 Ca 0.01 0.92 0.29 0.00 0.04 0.00 0.00 52.86 54.13 2ysi s ASN 26 Cb -0.14 -2.33 1.29 0.00 -1.54 0.00 0.00 41.25 38.54 2ysi s ASN 26 CO 0.02 -0.07 1.95 0.00 -3.04 0.00 0.00 177.10 175.96 2ysi n ALA 27 N 3.89 2.39 -0.10 1.71 0.00 -1.26 0.22 120.51 127.37 2ysi n ALA 27 Ca -0.05 -0.12 -0.23 0.00 0.00 0.00 0.00 53.44 53.04 2ysi n ALA 27 Cb 0.51 -1.47 -0.12 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.44 0.61 0.01 0.00 0.00 -1.26 -4.51 116.66 110.06 2ysi n ARG 28 Ca 0.09 0.43 0.04 0.00 -0.00 0.00 0.00 57.85 58.40 2ysi n ARG 28 Cb 0.32 -1.67 -0.10 0.00 0.00 0.00 0.00 32.46 31.00 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 -4.16 0.76 -3.21 5.15 -2.24 -1.25 -4.99 114.28 104.34 2ysi n THR 29 Ca -0.38 -0.63 -0.16 0.00 -2.27 0.00 0.00 64.05 60.60 2ysi n THR 29 Cb 0.81 -0.40 0.05 0.00 -2.10 0.00 0.00 70.33 68.70 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 -2.64 -5.25 -4.14 -0.78 1.74 0.13 -5.02 116.66 100.71 2ysi n ARG 30 Ca -0.10 0.56 -0.26 0.00 -0.77 0.00 0.00 57.85 57.28 2ysi n ARG 30 Cb 0.75 -4.77 -0.05 0.00 -1.02 0.00 0.00 32.46 27.37 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 -5.85 2.24 -0.10 5.56 0.41 -1.24 -4.91 118.70 114.81 2ysi s GLU 31 Ca 0.38 -1.97 0.02 0.00 -0.41 0.00 0.00 54.97 52.99 2ysi s GLU 31 Cb -0.17 -1.96 0.01 0.00 -1.78 0.00 0.00 34.13 30.23 2ysi s GLU 31 CO 0.48 -0.31 -0.16 -1.54 -0.49 0.00 0.00 175.26 173.24 2ysi s SER 32 N -4.02 2.40 -0.18 -0.19 1.04 -1.26 -2.64 113.70 108.85 2ysi s SER 32 Ca 0.34 -0.42 -0.12 0.00 0.48 0.00 0.00 55.95 56.23 2ysi s SER 32 Cb 0.01 -1.09 0.06 0.00 0.10 0.00 0.00 66.02 65.10 2ysi s SER 32 CO 0.19 0.05 0.45 0.00 0.98 0.00 0.00 173.24 174.91 2ysi s ALA 33 N 0.78 -1.14 0.14 5.32 0.00 -0.77 -4.98 121.76 121.11 2ysi s ALA 33 Ca -0.11 1.53 -0.28 0.00 0.00 0.00 0.00 51.96 53.10 2ysi s ALA 33 Cb -0.16 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 2ysi s ALA 33 CO 0.02 -0.26 1.58 -1.49 0.00 0.00 0.00 175.76 175.60 2ysi h TRP 34 N 6.61 -1.27 -3.10 0.00 -0.00 -1.84 0.33 115.95 116.70 2ysi h TRP 34 Ca -0.33 0.06 -0.62 0.00 -0.00 0.00 0.00 58.89 57.99 2ysi h TRP 34 Cb 1.19 0.60 -0.10 0.00 -0.00 0.00 0.00 29.16 30.85 2ysi h TRP 34 CO 0.27 -0.46 -0.62 -0.08 -0.00 0.00 0.00 178.44 177.56 2ysi s THR 35 N -5.85 4.29 0.26 1.49 -1.32 -1.26 -3.62 115.64 109.63 2ysi s THR 35 Ca -0.15 -0.97 -0.28 0.00 -1.21 0.00 0.00 61.69 59.09 2ysi s THR 35 Cb 0.11 -3.10 -0.09 0.00 -1.51 0.00 0.00 72.50 67.91 2ysi s THR 35 CO 0.65 0.05 0.91 -0.54 -2.21 0.00 0.00 174.62 173.48 2ysi s LYS 36 N -2.58 4.72 0.78 7.08 1.02 -1.26 -4.90 119.74 124.60 2ysi s LYS 36 Ca 0.28 1.38 -0.11 0.00 0.02 0.00 0.00 55.97 57.54 2ysi s LYS 36 Cb -0.11 -3.11 0.06 0.00 -0.52 0.00 0.00 37.83 34.15 2ysi s LYS 36 CO 0.21 0.45 1.09 -1.25 -0.92 0.00 0.00 175.35 174.93 2ysi s PRO 37 N -1.48 2.16 0.27 -1.68 0.04 -1.26 -5.05 135.00 128.00 2ysi s PRO 37 Ca 0.43 1.14 -0.06 0.00 0.04 0.00 0.00 61.00 62.55 2ysi s PRO 37 Cb -0.23 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 2ysi s PRO 37 CO 0.28 -1.70 0.54 0.34 0.04 0.00 0.00 177.00 176.49 2ysi s ASP 38 N -3.40 6.48 -1.20 6.66 -1.08 -1.26 -4.42 116.67 118.45 2ysi s ASP 38 Ca 0.61 0.73 -0.02 0.00 -0.52 0.00 0.00 52.55 53.35 2ysi s ASP 38 Cb -0.17 -2.15 -0.01 0.00 -1.46 0.00 0.00 42.92 39.12 2ysi s ASP 38 CO 0.56 -0.15 0.89 0.61 0.52 0.00 0.00 175.17 177.60 2ysi n GLY 39 N -0.71 -0.52 0.00 2.66 0.00 -1.26 -5.31 105.19 100.05 2ysi n GLY 39 Ca -0.01 0.21 0.16 0.00 0.00 0.00 0.00 46.02 46.38 2ysi n GLY 39 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70