#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysi s SER 2 N 0.00 4.48 -0.07 1.61 1.04 -1.26 -5.07 113.70 114.43 2ysi s SER 2 Ca 0.00 -0.62 -0.04 0.00 0.48 0.00 0.00 55.95 55.77 2ysi s SER 2 Cb 0.00 -0.82 -0.02 0.00 0.10 0.00 0.00 66.02 65.28 2ysi s SER 2 CO 0.00 0.03 0.19 0.28 0.98 0.00 0.00 173.24 174.72 2ysi h SER 3 N 2.20 -0.13 -5.62 7.02 0.02 -2.10 -3.48 113.55 111.45 2ysi h SER 3 Ca -0.45 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.21 2ysi h SER 3 Cb 1.24 0.03 0.17 0.00 0.14 0.00 0.00 62.40 63.98 2ysi h SER 3 CO 0.59 0.29 -0.86 0.61 -1.14 0.00 0.00 176.83 176.32 2ysi n GLY 4 N 1.38 -0.98 3.01 -3.77 0.00 -1.26 -5.02 105.19 98.54 2ysi n GLY 4 Ca -0.02 0.48 -0.13 0.00 0.00 0.00 0.00 46.02 46.35 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 -3.59 0.12 -0.49 1.61 1.04 -1.26 -5.12 113.70 106.01 2ysi s SER 5 Ca 0.37 0.54 -0.19 0.00 0.48 0.00 0.00 55.95 57.16 2ysi s SER 5 Cb -0.06 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.65 2ysi s SER 5 CO 0.76 -0.21 0.58 -0.55 0.98 0.00 0.00 173.24 174.80 2ysi s SER 6 N 1.91 6.22 0.00 7.02 0.15 -1.26 -4.75 113.70 122.99 2ysi s SER 6 Ca -0.03 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.70 2ysi s SER 6 Cb -0.11 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2ysi s SER 6 CO -0.08 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.14 2ysi n GLY 7 N 5.16 -0.06 3.02 9.45 0.00 -1.26 -5.14 105.19 116.37 2ysi n GLY 7 Ca -0.07 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.95 0.13 0.46 2.61 -4.23 -1.26 -5.17 115.64 106.23 2ysi s THR 8 Ca 0.00 -1.08 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 2ysi s THR 8 Cb 0.00 -0.58 -0.02 0.00 1.34 0.00 0.00 72.50 73.24 2ysi s THR 8 CO 0.00 -0.60 0.05 -1.61 -0.54 0.00 0.00 174.62 171.93 2ysi s GLU 9 N -2.04 2.06 0.75 3.99 2.02 -1.26 -5.16 118.70 119.06 2ysi s GLU 9 Ca -0.10 -2.28 -0.02 0.00 0.02 0.00 0.00 54.97 52.59 2ysi s GLU 9 Cb -0.05 -1.15 0.14 0.00 0.10 0.00 0.00 34.13 33.16 2ysi s GLU 9 CO -0.03 -0.39 1.03 -1.21 0.02 0.00 0.00 175.26 174.68 2ysi s GLU 10 N -3.80 1.55 0.00 1.61 8.01 -1.26 -4.99 118.70 119.82 2ysi s GLU 10 Ca 0.15 -1.12 0.29 0.00 0.01 0.00 0.00 54.97 54.31 2ysi s GLU 10 Cb 0.03 -2.30 1.33 0.00 -4.31 0.00 0.00 34.13 28.88 2ysi s GLU 10 CO 0.09 -1.55 1.91 -0.89 0.01 0.00 0.00 175.26 174.82 2ysi n ILE 11 N -2.92 0.00 -1.64 -1.63 2.08 -1.26 -4.89 119.36 109.10 2ysi n ILE 11 Ca 0.16 -0.12 -0.31 0.00 0.56 0.00 0.00 62.75 63.03 2ysi n ILE 11 Cb 0.61 0.05 0.05 0.00 -0.75 0.00 0.00 39.64 39.60 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 -2.15 3.01 0.08 1.39 0.52 -1.26 -3.65 118.94 116.89 2ysi s TRP 12 Ca 0.38 1.46 0.07 0.00 0.02 0.00 0.00 56.10 58.03 2ysi s TRP 12 Cb 0.21 -2.93 -0.04 0.00 -1.15 0.00 0.00 33.47 29.56 2ysi s TRP 12 CO 0.39 -1.28 -0.11 0.08 0.02 0.00 0.00 176.95 176.05 2ysi s VAL 13 N -2.88 3.30 -0.26 4.03 1.01 0.18 -4.86 120.40 120.92 2ysi s VAL 13 Ca 0.60 -1.21 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 2ysi s VAL 13 Cb -0.15 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 2ysi s VAL 13 CO 0.51 0.18 0.69 -0.70 0.00 0.00 0.00 175.10 175.77 2ysi s GLU 14 N -2.00 4.11 0.28 2.72 2.12 -1.26 -1.63 118.70 123.04 2ysi s GLU 14 Ca 0.20 0.64 0.04 0.00 0.36 0.00 0.00 54.97 56.21 2ysi s GLU 14 Cb -0.11 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.59 2ysi s GLU 14 CO 0.12 -0.46 0.22 -0.80 -0.54 0.00 0.00 175.26 173.80 2ysi s ASN 15 N 1.45 1.14 -0.04 -1.70 0.01 -0.59 -5.02 114.94 110.19 2ysi s ASN 15 Ca 0.29 -1.62 -0.02 0.00 -0.71 0.00 0.00 52.86 50.79 2ysi s ASN 15 Cb -0.15 0.49 0.03 0.00 0.41 0.00 0.00 41.25 42.03 2ysi s ASN 15 CO 0.08 -0.98 0.07 -0.75 -1.51 0.00 0.00 177.10 174.02 2ysi s LYS 16 N -3.71 -0.05 0.80 -0.60 2.47 -1.26 -0.14 119.74 117.25 2ysi s LYS 16 Ca 0.40 0.38 -0.15 0.00 -1.56 0.00 0.00 55.97 55.04 2ysi s LYS 16 Cb 0.04 -0.41 -0.01 0.00 -1.46 0.00 0.00 37.83 35.99 2ysi s LYS 16 CO 0.22 -0.29 0.52 0.25 0.16 0.00 0.00 175.35 176.21 2ysi n THR 17 N 5.07 1.28 0.98 3.43 -2.24 0.14 -4.80 114.28 118.14 2ysi n THR 17 Ca -0.08 -0.33 0.01 0.00 -2.27 0.00 0.00 64.05 61.38 2ysi n THR 17 Cb 0.50 -0.73 0.05 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.13 0.49 -0.04 -0.78 -0.04 -1.26 -2.14 135.00 130.10 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 -1.06 -0.07 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.56 2.78 0.00 3.54 8.00 -1.26 -5.03 116.55 124.02 2ysi n ASP 19 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 2ysi n ASP 19 Cb 0.01 0.89 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 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 2.33 0.93 2.89 0.44 0.00 -0.91 -5.15 105.19 105.72 2ysi n GLY 20 Ca -0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 0.07 0.10 1.61 3.01 -1.25 -4.95 119.74 118.32 2ysi s LYS 21 Ca 0.00 0.61 -0.31 0.00 -1.01 0.00 0.00 55.97 55.27 2ysi s LYS 21 Cb 0.00 -0.22 -0.07 0.00 -1.01 0.00 0.00 37.83 36.53 2ysi s LYS 21 CO 0.00 -0.31 1.25 0.08 0.51 0.00 0.00 175.35 176.88 2ysi s VAL 22 N 2.33 3.75 0.34 3.17 1.01 -1.26 0.25 120.40 130.00 2ysi s VAL 22 Ca 0.03 1.29 0.05 0.00 0.00 0.00 0.00 61.98 63.35 2ysi s VAL 22 Cb -0.12 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2ysi s VAL 22 CO -0.07 0.12 0.22 -0.72 0.00 0.00 0.00 175.10 174.65 2ysi s TYR 23 N 0.89 1.72 -0.01 5.22 1.13 0.80 -4.81 117.35 122.29 2ysi s TYR 23 Ca 0.59 -1.51 0.06 0.00 -1.41 0.00 0.00 57.07 54.80 2ysi s TYR 23 Cb -0.32 -0.85 -0.02 0.00 -1.10 0.00 0.00 41.96 39.67 2ysi s TYR 23 CO 0.31 -0.66 -0.20 0.71 -2.51 0.00 0.00 175.55 173.19 2ysi s TYR 24 N -3.43 1.83 -0.10 -3.49 2.02 0.39 -1.54 117.35 113.01 2ysi s TYR 24 Ca 0.35 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.72 2ysi s TYR 24 Cb 0.03 -1.16 0.01 0.00 -0.40 0.00 0.00 41.96 40.44 2ysi s TYR 24 CO 0.22 -0.01 -0.17 -0.47 -1.57 0.00 0.00 175.55 173.55 2ysi s TYR 25 N -0.53 2.04 -0.05 2.71 6.14 -0.65 -1.03 117.35 125.98 2ysi s TYR 25 Ca 0.08 -0.93 -0.27 0.00 0.64 0.00 0.00 57.07 56.59 2ysi s TYR 25 Cb -0.08 -1.45 -0.03 0.00 0.42 0.00 0.00 41.96 40.82 2ysi s TYR 25 CO -0.00 -0.45 0.87 1.21 0.64 0.00 0.00 175.55 177.82 2ysi s ASN 26 N 0.84 7.19 0.14 4.32 3.04 -0.93 0.47 114.94 130.01 2ysi s ASN 26 Ca -0.09 1.44 0.27 0.00 0.04 0.00 0.00 52.86 54.52 2ysi s ASN 26 Cb -0.15 -2.50 0.96 0.00 -1.54 0.00 0.00 41.25 38.01 2ysi s ASN 26 CO 0.01 -0.24 1.82 0.00 -3.04 0.00 0.00 177.10 175.64 2ysi n ALA 27 N 4.09 2.26 -0.11 1.71 0.00 -1.24 -0.15 120.51 127.07 2ysi n ALA 27 Ca 0.04 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.23 2ysi n ALA 27 Cb 0.51 -1.46 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.99 0.55 0.13 0.00 3.00 -1.26 -4.47 116.66 112.62 2ysi n ARG 28 Ca 0.06 0.44 0.12 0.00 -0.00 0.00 0.00 57.85 58.46 2ysi n ARG 28 Cb 0.39 -1.63 0.12 0.00 0.00 0.00 0.00 32.46 31.33 2ysi n ARG 28 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 2ysi h THR 29 N -1.00 0.00 -4.91 5.15 1.35 -1.99 -3.47 112.91 108.04 2ysi h THR 29 Ca -0.36 -0.85 -0.37 0.00 -0.55 0.00 0.00 66.41 64.28 2ysi h THR 29 Cb 1.23 1.54 0.10 0.00 -1.73 0.00 0.00 68.15 69.29 2ysi h THR 29 CO -0.22 0.00 -0.60 0.54 -0.25 0.00 0.00 175.52 174.99 2ysi n ARG 30 N -2.64 -6.15 -3.51 4.72 1.74 0.79 -5.00 116.66 106.60 2ysi n ARG 30 Ca 0.02 0.81 -0.21 0.00 -0.77 0.00 0.00 57.85 57.70 2ysi n ARG 30 Cb 0.51 -5.62 -0.02 0.00 -1.02 0.00 0.00 32.46 26.32 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 -5.95 2.52 -0.14 5.56 2.02 -1.23 -4.89 118.70 116.59 2ysi s GLU 31 Ca 0.43 -1.56 -0.01 0.00 0.02 0.00 0.00 54.97 53.85 2ysi s GLU 31 Cb -0.19 -2.40 0.04 0.00 0.10 0.00 0.00 34.13 31.67 2ysi s GLU 31 CO 0.53 -0.27 -0.05 -1.54 0.02 0.00 0.00 175.26 173.94 2ysi s SER 32 N -4.19 2.52 -0.05 -0.19 1.04 -1.26 -2.18 113.70 109.38 2ysi s SER 32 Ca 0.48 -0.50 -0.04 0.00 0.48 0.00 0.00 55.95 56.37 2ysi s SER 32 Cb -0.04 -0.84 0.02 0.00 0.10 0.00 0.00 66.02 65.26 2ysi s SER 32 CO 0.28 -0.17 0.13 0.00 0.98 0.00 0.00 173.24 174.47 2ysi s ALA 33 N 1.69 -0.30 0.15 5.32 0.00 -0.20 -4.99 121.76 123.43 2ysi s ALA 33 Ca 0.02 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.14 2ysi s ALA 33 Cb -0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 2ysi s ALA 33 CO -0.08 -0.08 1.57 -1.49 0.00 0.00 0.00 175.76 175.67 2ysi h TRP 34 N 6.28 -1.37 -2.08 0.00 -0.00 -1.87 0.11 115.95 117.02 2ysi h TRP 34 Ca -0.30 0.07 -0.53 0.00 -0.00 0.00 0.00 58.89 58.14 2ysi h TRP 34 Cb 1.19 0.66 -0.07 0.00 -0.00 0.00 0.00 29.16 30.94 2ysi h TRP 34 CO 0.41 -0.45 -0.55 -0.08 -0.00 0.00 0.00 178.44 177.77 2ysi s THR 35 N -5.80 3.73 0.21 1.49 -1.32 -1.26 -3.28 115.64 109.41 2ysi s THR 35 Ca -0.15 -1.61 -0.16 0.00 -1.21 0.00 0.00 61.69 58.57 2ysi s THR 35 Cb 0.11 -3.12 -0.08 0.00 -1.51 0.00 0.00 72.50 67.91 2ysi s THR 35 CO 0.64 -0.30 0.64 -0.54 -2.21 0.00 0.00 174.62 172.86 2ysi s LYS 36 N -3.82 4.06 0.99 7.08 1.02 -1.26 -4.87 119.74 122.94 2ysi s LYS 36 Ca 0.35 0.63 -0.12 0.00 0.02 0.00 0.00 55.97 56.84 2ysi s LYS 36 Cb -0.06 -2.79 0.18 0.00 -0.52 0.00 0.00 37.83 34.64 2ysi s LYS 36 CO 0.23 0.37 1.09 -1.25 -0.92 0.00 0.00 175.35 174.88 2ysi s PRO 37 N -2.24 0.53 -0.15 -1.68 0.04 -1.26 -5.04 135.00 125.19 2ysi s PRO 37 Ca 0.44 0.57 -0.06 0.00 0.04 0.00 0.00 61.00 61.98 2ysi s PRO 37 Cb -0.14 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2ysi s PRO 37 CO 0.20 -2.68 0.05 0.34 0.04 0.00 0.00 177.00 174.96 2ysi s ASP 38 N -3.44 5.61 0.00 6.66 2.15 -1.26 -4.56 116.67 121.83 2ysi s ASP 38 Ca 0.65 0.13 0.00 0.00 0.43 0.00 0.00 52.55 53.76 2ysi s ASP 38 Cb -0.19 -1.87 0.00 0.00 -0.30 0.00 0.00 42.92 40.56 2ysi s ASP 38 CO 0.58 0.25 0.00 0.61 -0.17 0.00 0.00 175.17 176.43 2ysi n GLY 39 N 3.06 3.73 0.12 2.66 0.00 -1.26 -5.33 105.19 108.16 2ysi n GLY 39 Ca -0.17 -0.90 0.16 0.00 0.00 0.00 0.00 46.02 45.10 2ysi n GLY 39 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65