#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 -2.63 1.61 0.02 -2.15 -3.41 113.55 105.24 2ysi h SER 2 Ca 0.00 0.23 -0.47 0.00 -0.84 0.00 0.00 61.79 60.71 2ysi h SER 2 Cb 0.00 0.71 0.01 0.00 0.14 0.00 0.00 62.40 63.26 2ysi h SER 2 CO 0.00 -0.42 -0.21 -0.44 -1.14 0.00 0.00 176.83 174.62 2ysi s SER 3 N -5.00 6.17 0.00 3.07 0.01 -1.26 -4.99 113.70 111.71 2ysi s SER 3 Ca -0.15 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.43 2ysi s SER 3 Cb 0.09 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.48 2ysi s SER 3 CO 0.62 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2ysi n GLY 4 N -1.79 0.00 3.78 3.44 0.00 -1.26 -5.16 105.19 104.20 2ysi n GLY 4 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 2ysi n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ysi s SER 5 N 0.00 6.30 0.01 1.61 0.15 -1.26 -5.06 113.70 115.46 2ysi s SER 5 Ca 0.00 2.07 0.06 0.00 0.70 0.00 0.00 55.95 58.78 2ysi s SER 5 Cb 0.00 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.71 2ysi s SER 5 CO 0.00 -0.81 -0.19 -0.55 1.20 0.00 0.00 173.24 172.88 2ysi s SER 6 N -1.73 2.31 0.00 5.45 0.15 -1.26 -5.05 113.70 113.57 2ysi s SER 6 Ca 0.65 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.88 2ysi s SER 6 Cb -0.21 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 2ysi s SER 6 CO 0.26 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.50 2ysi n GLY 7 N 2.25 0.15 3.05 9.45 0.00 -1.26 -5.12 105.19 113.71 2ysi n GLY 7 Ca -0.16 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 0.52 0.51 2.61 2.01 -1.26 -5.17 115.64 114.87 2ysi s THR 8 Ca 0.00 -0.97 0.08 0.00 0.31 0.00 0.00 61.69 61.11 2ysi s THR 8 Cb 0.00 -0.57 0.05 0.00 0.01 0.00 0.00 72.50 71.99 2ysi s THR 8 CO 0.00 -0.32 0.71 -1.83 -0.69 0.00 0.00 174.62 172.49 2ysi s GLU 9 N -1.39 2.51 0.48 4.92 1.03 -1.26 -5.14 118.70 119.85 2ysi s GLU 9 Ca -0.08 -1.40 0.02 0.00 0.03 0.00 0.00 54.97 53.54 2ysi s GLU 9 Cb -0.09 -2.67 -0.02 0.00 -0.80 0.00 0.00 34.13 30.55 2ysi s GLU 9 CO 0.00 -0.63 0.04 -1.21 -1.33 0.00 0.00 175.26 172.13 2ysi s GLU 10 N -4.56 2.11 0.00 -4.83 0.41 -1.26 -5.01 118.70 105.56 2ysi s GLU 10 Ca 0.59 -2.32 0.11 0.00 -0.41 0.00 0.00 54.97 52.94 2ysi s GLU 10 Cb -0.08 -1.27 0.64 0.00 -1.78 0.00 0.00 34.13 31.64 2ysi s GLU 10 CO 0.37 -0.38 1.29 -0.89 -0.49 0.00 0.00 175.26 175.16 2ysi n ILE 11 N -1.15 0.00 -2.78 -1.63 5.41 -1.26 -4.82 119.36 113.13 2ysi n ILE 11 Ca -0.15 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.27 2ysi n ILE 11 Cb 0.66 -0.28 -0.06 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 3.28 -0.14 1.39 0.52 -1.26 -4.15 118.94 116.58 2ysi s TRP 12 Ca 0.16 1.61 -0.06 0.00 0.02 0.00 0.00 56.10 57.84 2ysi s TRP 12 Cb 0.07 -2.89 -0.04 0.00 -1.15 0.00 0.00 33.47 29.47 2ysi s TRP 12 CO 0.12 -0.20 0.07 0.08 0.02 0.00 0.00 176.95 177.04 2ysi s VAL 13 N -2.12 4.86 0.17 4.03 1.01 0.11 -4.87 120.40 123.58 2ysi s VAL 13 Ca 0.62 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 2ysi s VAL 13 Cb -0.11 -3.13 -0.07 0.00 0.00 0.00 0.00 36.38 33.08 2ysi s VAL 13 CO 0.15 0.55 1.01 -0.70 0.00 0.00 0.00 175.10 176.11 2ysi s GLU 14 N -0.41 4.69 0.32 2.72 2.12 -1.26 -0.67 118.70 126.22 2ysi s GLU 14 Ca 0.10 1.57 -0.09 0.00 0.36 0.00 0.00 54.97 56.91 2ysi s GLU 14 Cb -0.12 -3.32 0.01 0.00 0.26 0.00 0.00 34.13 30.97 2ysi s GLU 14 CO 0.02 0.22 0.55 -0.80 -0.54 0.00 0.00 175.26 174.71 2ysi s ASN 15 N -0.29 0.41 -0.09 -1.70 0.01 -0.04 -4.94 114.94 108.30 2ysi s ASN 15 Ca 0.47 -1.24 -0.03 0.00 -0.71 0.00 0.00 52.86 51.34 2ysi s ASN 15 Cb -0.26 0.68 0.05 0.00 0.41 0.00 0.00 41.25 42.13 2ysi s ASN 15 CO 0.32 -1.34 0.14 -0.75 -1.51 0.00 0.00 177.10 173.97 2ysi s LYS 16 N -3.19 0.02 0.80 -0.60 2.47 -1.26 0.21 119.74 118.19 2ysi s LYS 16 Ca 0.25 0.48 -0.15 0.00 -1.56 0.00 0.00 55.97 54.98 2ysi s LYS 16 Cb -0.02 -0.45 -0.01 0.00 -1.46 0.00 0.00 37.83 35.89 2ysi s LYS 16 CO 0.15 -0.35 0.52 0.25 0.16 0.00 0.00 175.35 176.08 2ysi n THR 17 N 5.32 1.25 0.91 3.43 -2.24 0.12 -4.79 114.28 118.28 2ysi n THR 17 Ca -0.04 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2ysi n THR 17 Cb 0.50 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 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 -1.15 0.49 -0.02 -0.78 -0.04 -1.26 -2.12 135.00 130.11 2ysi n PRO 18 Ca 0.09 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.54 2ysi n PRO 18 Cb 0.51 -1.03 -0.05 0.00 -0.04 0.00 0.00 33.50 32.89 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 -0.39 3.56 0.00 3.54 8.00 -1.26 -5.04 116.55 124.96 2ysi n ASP 19 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2ysi n ASP 19 Cb 0.02 0.82 0.00 0.00 -0.02 0.00 0.00 41.12 41.94 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 2.50 0.92 2.87 0.44 0.00 -0.90 -5.15 105.19 105.87 2ysi n GLY 20 Ca -0.07 -0.03 -0.16 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 0.00 0.10 0.03 1.61 3.01 -1.25 -4.95 119.74 118.28 2ysi s LYS 21 Ca 0.00 0.54 -0.30 0.00 -1.01 0.00 0.00 55.97 55.20 2ysi s LYS 21 Cb 0.00 -0.41 -0.05 0.00 -1.01 0.00 0.00 37.83 36.36 2ysi s LYS 21 CO 0.00 -0.38 1.28 0.08 0.51 0.00 0.00 175.35 176.84 2ysi s VAL 22 N 2.34 3.89 0.39 3.17 1.01 -1.26 0.16 120.40 130.11 2ysi s VAL 22 Ca 0.03 1.31 0.04 0.00 0.00 0.00 0.00 61.98 63.37 2ysi s VAL 22 Cb -0.13 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 2ysi s VAL 22 CO -0.08 0.05 0.15 -0.72 0.00 0.00 0.00 175.10 174.50 2ysi s TYR 23 N 1.67 1.77 -0.07 5.22 1.13 0.13 -4.80 117.35 122.40 2ysi s TYR 23 Ca 0.60 -1.33 0.03 0.00 -1.41 0.00 0.00 57.07 54.96 2ysi s TYR 23 Cb -0.30 -1.09 0.01 0.00 -1.10 0.00 0.00 41.96 39.48 2ysi s TYR 23 CO 0.27 -0.38 -0.14 0.71 -2.51 0.00 0.00 175.55 173.50 2ysi s TYR 24 N -3.26 1.65 -0.18 -3.49 2.02 -0.70 -0.86 117.35 112.53 2ysi s TYR 24 Ca 0.26 -0.63 -0.04 0.00 -0.37 0.00 0.00 57.07 56.30 2ysi s TYR 24 Cb 0.03 -1.18 -0.02 0.00 -0.40 0.00 0.00 41.96 40.38 2ysi s TYR 24 CO 0.16 -0.30 -0.04 -0.47 -1.57 0.00 0.00 175.55 173.33 2ysi s TYR 25 N 0.61 2.99 -0.06 2.71 6.14 0.16 -1.18 117.35 128.72 2ysi s TYR 25 Ca -0.15 -0.51 -0.24 0.00 0.64 0.00 0.00 57.07 56.80 2ysi s TYR 25 Cb -0.16 -2.02 -0.04 0.00 0.42 0.00 0.00 41.96 40.16 2ysi s TYR 25 CO 0.05 -0.22 0.74 1.21 0.64 0.00 0.00 175.55 177.96 2ysi s ASN 26 N 0.80 7.04 0.20 4.32 3.04 -0.81 0.04 114.94 129.57 2ysi s ASN 26 Ca -0.01 1.25 0.26 0.00 0.04 0.00 0.00 52.86 54.40 2ysi s ASN 26 Cb -0.14 -2.43 0.72 0.00 -1.54 0.00 0.00 41.25 37.85 2ysi s ASN 26 CO 0.02 -0.14 1.70 0.00 -3.04 0.00 0.00 177.10 175.63 2ysi n ALA 27 N 3.83 2.39 -0.05 1.71 0.00 -1.26 0.23 120.51 127.37 2ysi n ALA 27 Ca -0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.16 2ysi n ALA 27 Cb 0.51 -1.42 -0.13 0.00 0.00 0.00 0.00 19.45 18.42 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 0.12 0.00 0.00 1.12 -1.92 -3.39 114.38 110.32 2ysi h ARG 28 Ca 0.00 -0.21 -0.09 0.00 -1.11 0.00 0.00 59.98 58.57 2ysi h ARG 28 Cb 0.74 0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.77 2ysi h ARG 28 CO 0.00 1.10 -1.60 0.25 -3.11 0.00 0.00 179.97 176.61 2ysi n THR 29 N -4.07 0.67 -3.26 0.20 -2.24 -1.25 -4.99 114.28 99.33 2ysi n THR 29 Ca -0.30 -0.61 -0.17 0.00 -2.27 0.00 0.00 64.05 60.70 2ysi n THR 29 Cb 0.82 -0.35 0.06 0.00 -2.10 0.00 0.00 70.33 68.75 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 -2.61 -5.59 -4.43 -0.78 1.74 0.14 -5.02 116.66 100.11 2ysi n ARG 30 Ca -0.08 0.59 -0.28 0.00 -0.77 0.00 0.00 57.85 57.31 2ysi n ARG 30 Cb 0.71 -4.89 -0.08 0.00 -1.02 0.00 0.00 32.46 27.18 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 -5.92 2.13 -0.16 5.56 0.41 -1.22 -4.91 118.70 114.60 2ysi s GLU 31 Ca 0.41 -2.09 0.01 0.00 -0.41 0.00 0.00 54.97 52.89 2ysi s GLU 31 Cb -0.18 -1.77 0.02 0.00 -1.78 0.00 0.00 34.13 30.42 2ysi s GLU 31 CO 0.51 -0.20 -0.16 -1.54 -0.49 0.00 0.00 175.26 173.38 2ysi s SER 32 N -3.87 2.82 -0.04 -0.19 1.04 -1.26 -1.93 113.70 110.27 2ysi s SER 32 Ca 0.30 -0.54 -0.01 0.00 0.48 0.00 0.00 55.95 56.17 2ysi s SER 32 Cb 0.05 -1.26 0.03 0.00 0.10 0.00 0.00 66.02 64.94 2ysi s SER 32 CO 0.16 -0.04 0.05 0.00 0.98 0.00 0.00 173.24 174.38 2ysi s ALA 33 N 1.43 0.26 0.11 5.32 0.00 -0.33 -4.98 121.76 123.58 2ysi s ALA 33 Ca 0.05 0.18 -0.21 0.00 0.00 0.00 0.00 51.96 51.97 2ysi s ALA 33 Cb -0.13 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 2ysi s ALA 33 CO -0.11 -0.40 1.19 0.91 0.00 0.00 0.00 175.76 177.35 2ysi n TRP 34 N 5.02 -0.30 -4.06 0.00 5.03 -1.26 -1.73 117.44 120.14 2ysi n TRP 34 Ca -0.09 0.86 -0.22 0.00 3.03 0.00 0.00 57.50 61.08 2ysi n TRP 34 Cb 0.50 -0.54 -0.04 0.00 -1.03 0.00 0.00 31.31 30.20 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 -5.02 4.20 0.22 -0.99 -1.32 -1.26 -3.33 115.64 108.13 2ysi s THR 35 Ca -0.08 -1.43 -0.23 0.00 -1.21 0.00 0.00 61.69 58.75 2ysi s THR 35 Cb 0.08 -3.33 -0.08 0.00 -1.51 0.00 0.00 72.50 67.66 2ysi s THR 35 CO 0.43 -0.31 0.78 -0.54 -2.21 0.00 0.00 174.62 172.76 2ysi s LYS 36 N -3.87 4.41 0.78 7.08 1.02 -1.26 -4.88 119.74 123.02 2ysi s LYS 36 Ca 0.34 1.04 -0.10 0.00 0.02 0.00 0.00 55.97 57.27 2ysi s LYS 36 Cb -0.07 -2.99 0.06 0.00 -0.52 0.00 0.00 37.83 34.31 2ysi s LYS 36 CO 0.25 0.43 1.09 -1.25 -0.92 0.00 0.00 175.35 174.95 2ysi s PRO 37 N -1.73 2.23 -0.33 -1.68 0.04 -1.26 -5.02 135.00 127.26 2ysi s PRO 37 Ca 0.42 1.17 -0.13 0.00 0.04 0.00 0.00 61.00 62.50 2ysi s PRO 37 Cb -0.19 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 2ysi s PRO 37 CO 0.23 -1.66 0.25 0.16 0.04 0.00 0.00 177.00 176.02 2ysi s ASP 38 N -3.39 6.08 0.00 6.66 -4.77 -1.26 -4.45 116.67 115.53 2ysi s ASP 38 Ca 0.61 -0.31 0.00 0.00 -3.30 0.00 0.00 52.55 49.55 2ysi s ASP 38 Cb -0.17 -2.15 0.00 0.00 -1.09 0.00 0.00 42.92 39.51 2ysi s ASP 38 CO 0.56 -0.22 0.00 0.61 0.70 0.00 0.00 175.17 176.82 2ysi n GLY 39 N 5.07 2.97 3.81 2.12 0.00 -1.26 -5.34 105.19 112.56 2ysi n GLY 39 Ca -0.12 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2ysi n GLY 39 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70