#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 -4.95 -4.32 1.61 7.64 -1.26 -5.02 113.62 107.33 2ysi n SER 2 Ca 0.00 -0.48 -0.26 0.00 1.01 0.00 0.00 58.87 59.15 2ysi n SER 2 Cb 0.00 -4.40 -0.13 0.00 -1.01 0.00 0.00 64.21 58.67 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 -3.47 2.77 0.00 6.43 0.15 -1.26 -4.93 113.70 113.39 2ysi s SER 3 Ca 0.39 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 56.34 2ysi s SER 3 Cb -0.17 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 2ysi s SER 3 CO 0.62 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.77 2ysi n GLY 4 N 1.06 -0.35 3.33 9.45 0.00 -1.26 -4.94 105.19 112.48 2ysi n GLY 4 Ca -0.19 0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 2ysi n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ysi n SER 5 N 0.00 -5.09 -4.62 1.61 7.64 -1.26 -5.01 113.62 106.89 2ysi n SER 5 Ca 0.00 -0.50 -0.28 0.00 1.01 0.00 0.00 58.87 59.10 2ysi n SER 5 Cb 0.00 -4.56 -0.10 0.00 -1.01 0.00 0.00 64.21 58.53 2ysi n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ysi s SER 6 N -3.49 3.78 0.00 6.43 1.04 -1.26 -5.01 113.70 115.19 2ysi s SER 6 Ca 0.41 -1.43 0.00 0.00 0.48 0.00 0.00 55.95 55.41 2ysi s SER 6 Cb -0.18 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2ysi s SER 6 CO 0.65 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2ysi n GLY 7 N -1.00 0.59 3.87 7.32 0.00 -1.26 -5.10 105.19 109.62 2ysi n GLY 7 Ca -0.08 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 5.25 0.40 2.61 2.01 -1.26 -5.10 115.64 119.55 2ysi s THR 8 Ca 0.00 0.33 -0.06 0.00 0.31 0.00 0.00 61.69 62.27 2ysi s THR 8 Cb 0.00 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 2ysi s THR 8 CO 0.00 0.42 0.70 -1.83 -0.69 0.00 0.00 174.62 173.23 2ysi s GLU 9 N -1.57 3.64 1.13 4.92 -1.05 -1.26 -5.09 118.70 119.43 2ysi s GLU 9 Ca 0.26 0.20 -0.19 0.00 -0.15 0.00 0.00 54.97 55.09 2ysi s GLU 9 Cb -0.14 -2.47 0.27 0.00 -0.44 0.00 0.00 34.13 31.34 2ysi s GLU 9 CO 0.14 -0.01 1.19 -1.21 0.95 0.00 0.00 175.26 176.32 2ysi s GLU 10 N -4.11 -0.71 0.00 -4.83 8.01 -1.26 -4.94 118.70 110.87 2ysi s GLU 10 Ca 0.47 -0.23 0.30 0.00 0.01 0.00 0.00 54.97 55.52 2ysi s GLU 10 Cb -0.10 -1.67 1.48 0.00 -4.31 0.00 0.00 34.13 29.53 2ysi s GLU 10 CO 0.36 -3.34 1.99 -0.89 0.01 0.00 0.00 175.26 173.38 2ysi n ILE 11 N -4.46 0.00 -1.48 -1.63 2.08 -1.26 -4.89 119.36 107.72 2ysi n ILE 11 Ca 0.15 -0.11 -0.31 0.00 0.56 0.00 0.00 62.75 63.04 2ysi n ILE 11 Cb 0.60 -0.04 0.08 0.00 -0.75 0.00 0.00 39.64 39.53 2ysi n ILE 11 CO 0.00 0.00 0.00 0.26 0.56 0.00 0.00 176.55 177.37 2ysi s TRP 12 N -2.04 2.87 0.04 1.39 0.52 -1.26 -3.97 118.94 116.49 2ysi s TRP 12 Ca 0.42 1.35 0.06 0.00 0.02 0.00 0.00 56.10 57.95 2ysi s TRP 12 Cb 0.21 -3.00 -0.03 0.00 -1.15 0.00 0.00 33.47 29.50 2ysi s TRP 12 CO 0.36 -1.58 -0.12 0.08 0.02 0.00 0.00 176.95 175.71 2ysi s VAL 13 N -3.04 3.20 -0.25 4.03 1.01 0.17 -4.88 120.40 120.64 2ysi s VAL 13 Ca 0.60 -1.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 2ysi s VAL 13 Cb -0.15 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 2ysi s VAL 13 CO 0.55 0.32 0.72 -0.70 0.00 0.00 0.00 175.10 175.99 2ysi s GLU 14 N -1.55 4.13 0.25 2.72 2.12 -1.26 -1.45 118.70 123.65 2ysi s GLU 14 Ca 0.17 0.70 0.02 0.00 0.36 0.00 0.00 54.97 56.21 2ysi s GLU 14 Cb -0.11 -3.65 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 2ysi s GLU 14 CO 0.07 -0.47 0.17 -0.80 -0.54 0.00 0.00 175.26 173.70 2ysi s ASN 15 N 1.43 0.73 -0.05 -1.70 0.01 -0.64 -5.01 114.94 109.71 2ysi s ASN 15 Ca 0.30 -1.51 -0.02 0.00 -0.71 0.00 0.00 52.86 50.92 2ysi s ASN 15 Cb -0.15 0.42 0.03 0.00 0.41 0.00 0.00 41.25 41.96 2ysi s ASN 15 CO 0.08 -0.90 0.04 -0.75 -1.51 0.00 0.00 177.10 174.06 2ysi s LYS 16 N -3.93 0.15 0.80 -0.60 2.47 -1.26 -0.25 119.74 117.13 2ysi s LYS 16 Ca 0.39 0.27 -0.15 0.00 -1.56 0.00 0.00 55.97 54.92 2ysi s LYS 16 Cb 0.06 -0.64 -0.01 0.00 -1.46 0.00 0.00 37.83 35.78 2ysi s LYS 16 CO 0.17 -0.30 0.53 0.25 0.16 0.00 0.00 175.35 176.15 2ysi n THR 17 N 5.13 1.30 0.98 3.43 -2.24 0.12 -4.80 114.28 118.19 2ysi n THR 17 Ca -0.07 -0.33 0.02 0.00 -2.27 0.00 0.00 64.05 61.40 2ysi n THR 17 Cb 0.50 -0.73 0.11 0.00 -2.10 0.00 0.00 70.33 68.11 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 -2.12 135.00 130.13 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 -1.12 -0.07 0.00 -0.04 0.00 0.00 33.50 32.79 2ysi n PRO 18 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2ysi n ASP 19 N -0.62 2.88 0.00 3.54 2.03 -1.26 -5.03 116.55 118.09 2ysi n ASP 19 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2ysi n ASP 19 Cb 0.01 0.99 0.00 0.00 -0.72 0.00 0.00 41.12 41.40 2ysi n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ysi n GLY 20 N 2.28 0.99 2.71 0.27 0.00 -0.90 -5.14 105.19 105.40 2ysi n GLY 20 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 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 0.01 0.05 1.61 3.01 -1.25 -4.95 119.74 118.22 2ysi s LYS 21 Ca 0.00 0.31 -0.31 0.00 -1.01 0.00 0.00 55.97 54.96 2ysi s LYS 21 Cb 0.00 -0.82 -0.06 0.00 -1.01 0.00 0.00 37.83 35.94 2ysi s LYS 21 CO 0.00 -0.43 1.29 0.08 0.51 0.00 0.00 175.35 176.79 2ysi s VAL 22 N 2.21 3.82 0.37 3.17 1.01 -1.26 0.12 120.40 129.85 2ysi s VAL 22 Ca 0.04 1.28 0.05 0.00 0.00 0.00 0.00 61.98 63.34 2ysi s VAL 22 Cb -0.13 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2ysi s VAL 22 CO -0.06 0.07 0.18 -0.72 0.00 0.00 0.00 175.10 174.57 2ysi s TYR 23 N 1.49 1.74 -0.05 5.22 1.13 0.66 -4.83 117.35 122.71 2ysi s TYR 23 Ca 0.61 -1.43 0.04 0.00 -1.41 0.00 0.00 57.07 54.88 2ysi s TYR 23 Cb -0.31 -0.96 -0.00 0.00 -1.10 0.00 0.00 41.96 39.59 2ysi s TYR 23 CO 0.28 -0.53 -0.17 0.71 -2.51 0.00 0.00 175.55 173.33 2ysi s TYR 24 N -3.35 1.78 -0.14 -3.49 2.02 0.01 -1.61 117.35 112.56 2ysi s TYR 24 Ca 0.31 -0.55 0.01 0.00 -0.37 0.00 0.00 57.07 56.46 2ysi s TYR 24 Cb 0.03 -1.21 -0.00 0.00 -0.40 0.00 0.00 41.96 40.38 2ysi s TYR 24 CO 0.19 -0.21 -0.16 -0.47 -1.57 0.00 0.00 175.55 173.34 2ysi s TYR 25 N 0.15 2.77 -0.04 2.71 6.14 -0.53 -1.18 117.35 127.37 2ysi s TYR 25 Ca -0.07 -0.94 -0.25 0.00 0.64 0.00 0.00 57.07 56.45 2ysi s TYR 25 Cb -0.13 -1.86 -0.04 0.00 0.42 0.00 0.00 41.96 40.35 2ysi s TYR 25 CO 0.03 -0.40 0.77 1.21 0.64 0.00 0.00 175.55 177.80 2ysi s ASN 26 N 0.65 7.11 0.23 4.32 3.04 -0.94 0.43 114.94 129.78 2ysi s ASN 26 Ca -0.08 1.33 0.25 0.00 0.04 0.00 0.00 52.86 54.40 2ysi s ASN 26 Cb -0.16 -2.46 0.54 0.00 -1.54 0.00 0.00 41.25 37.64 2ysi s ASN 26 CO 0.02 -0.13 1.57 0.00 -3.04 0.00 0.00 177.10 175.52 2ysi h ALA 27 N 6.63 0.85 0.12 1.71 0.00 -1.91 0.36 119.26 127.02 2ysi h ALA 27 Ca -0.41 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.17 2ysi h ALA 27 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2ysi h ALA 27 CO 0.75 0.00 -1.70 -0.09 0.00 0.00 0.00 179.25 178.20 2ysi h ARG 28 N 0.00 0.26 0.00 0.00 1.12 -1.92 -3.38 114.38 110.45 2ysi h ARG 28 Ca 0.00 -0.44 -0.03 0.00 -1.11 0.00 0.00 59.98 58.40 2ysi h ARG 28 Cb 0.81 0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.92 2ysi h ARG 28 CO 0.00 1.21 -1.81 0.25 -3.11 0.00 0.00 179.97 176.51 2ysi n THR 29 N -3.74 0.27 -3.28 0.20 -2.24 -1.25 -4.99 114.28 99.25 2ysi n THR 29 Ca -0.29 -0.54 -0.19 0.00 -2.27 0.00 0.00 64.05 60.76 2ysi n THR 29 Cb 0.97 -0.13 0.06 0.00 -2.10 0.00 0.00 70.33 69.13 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 -2.40 -5.92 -4.06 -0.78 1.74 0.12 -5.02 116.66 100.34 2ysi n ARG 30 Ca -0.05 0.68 -0.26 0.00 -0.77 0.00 0.00 57.85 57.45 2ysi n ARG 30 Cb 0.62 -5.22 -0.05 0.00 -1.02 0.00 0.00 32.46 26.80 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 -5.94 2.27 -0.12 5.56 0.41 -1.21 -4.91 118.70 114.75 2ysi s GLU 31 Ca 0.43 -1.94 0.00 0.00 -0.41 0.00 0.00 54.97 53.05 2ysi s GLU 31 Cb -0.19 -2.01 0.02 0.00 -1.78 0.00 0.00 34.13 30.18 2ysi s GLU 31 CO 0.53 -0.33 -0.11 -1.54 -0.49 0.00 0.00 175.26 173.32 2ysi s SER 32 N -4.06 2.36 -0.05 -0.19 1.04 -1.26 -2.21 113.70 109.33 2ysi s SER 32 Ca 0.35 -0.38 -0.02 0.00 0.48 0.00 0.00 55.95 56.38 2ysi s SER 32 Cb 0.01 -0.98 0.03 0.00 0.10 0.00 0.00 66.02 65.18 2ysi s SER 32 CO 0.20 -0.07 0.12 0.00 0.98 0.00 0.00 173.24 174.46 2ysi s ALA 33 N 1.50 -0.19 0.16 5.32 0.00 -0.33 -5.00 121.76 123.21 2ysi s ALA 33 Ca 0.03 0.56 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 2ysi s ALA 33 Cb -0.13 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2ysi s ALA 33 CO -0.08 -0.13 1.56 -1.49 0.00 0.00 0.00 175.76 175.62 2ysi h TRP 34 N 7.09 -1.51 -2.67 0.00 -0.00 -1.88 0.08 115.95 117.06 2ysi h TRP 34 Ca -0.41 0.09 -0.58 0.00 -0.00 0.00 0.00 58.89 57.99 2ysi h TRP 34 Cb 1.14 0.74 -0.10 0.00 -0.00 0.00 0.00 29.16 30.95 2ysi h TRP 34 CO 0.44 -0.44 -0.63 -0.08 -0.00 0.00 0.00 178.44 177.73 2ysi s THR 35 N -5.73 3.85 0.37 1.49 -1.32 -1.26 -3.29 115.64 109.75 2ysi s THR 35 Ca -0.14 -1.46 -0.15 0.00 -1.21 0.00 0.00 61.69 58.73 2ysi s THR 35 Cb 0.11 -2.98 -0.09 0.00 -1.51 0.00 0.00 72.50 68.04 2ysi s THR 35 CO 0.64 -0.18 0.79 -0.54 -2.21 0.00 0.00 174.62 173.13 2ysi s LYS 36 N -3.18 3.99 1.10 7.08 1.02 -1.26 -4.89 119.74 123.60 2ysi s LYS 36 Ca 0.29 0.72 -0.15 0.00 0.02 0.00 0.00 55.97 56.85 2ysi s LYS 36 Cb -0.09 -2.36 0.24 0.00 -0.52 0.00 0.00 37.83 35.10 2ysi s LYS 36 CO 0.20 0.06 1.10 -1.25 -0.92 0.00 0.00 175.35 174.54 2ysi s PRO 37 N -3.26 -0.37 -0.02 -1.68 0.04 -1.26 -5.07 135.00 123.39 2ysi s PRO 37 Ca 0.55 0.25 0.07 0.00 0.04 0.00 0.00 61.00 61.91 2ysi s PRO 37 Cb -0.10 -1.67 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 2ysi s PRO 37 CO 0.20 -3.21 -0.23 0.16 0.04 0.00 0.00 177.00 173.96 2ysi s ASP 38 N -3.64 3.28 -0.51 6.66 1.47 -1.26 -4.75 116.67 117.93 2ysi s ASP 38 Ca 0.68 -0.43 -0.00 0.00 1.18 0.00 0.00 52.55 53.98 2ysi s ASP 38 Cb -0.15 -0.44 -0.00 0.00 -0.34 0.00 0.00 42.92 41.99 2ysi s ASP 38 CO 0.57 0.32 0.43 0.61 0.68 0.00 0.00 175.17 177.77 2ysi n GLY 39 N 2.32 0.10 0.00 2.12 0.00 -1.26 -5.33 105.19 103.14 2ysi n GLY 39 Ca -0.16 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 45.78 2ysi n GLY 39 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70