#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysa s SER 2 N 0.00 6.33 0.13 1.61 0.01 -1.26 -5.08 113.70 115.44 2ysa s SER 2 Ca 0.00 1.46 -0.25 0.00 1.31 0.00 0.00 55.95 58.47 2ysa s SER 2 Cb 0.00 -2.48 0.07 0.00 0.21 0.00 0.00 66.02 63.82 2ysa s SER 2 CO 0.00 -0.79 0.73 -0.55 0.41 0.00 0.00 173.24 173.04 2ysa s SER 3 N -3.88 -0.44 0.30 2.44 0.15 -1.26 -4.96 113.70 106.04 2ysa s SER 3 Ca 0.56 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.10 2ysa s SER 3 Cb -0.11 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2ysa s SER 3 CO 0.48 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.62 2ysa n GLY 4 N -0.36 1.29 0.33 9.45 0.00 -1.26 -3.86 105.19 110.78 2ysa n GLY 4 Ca -0.12 0.26 0.20 0.00 0.00 0.00 0.00 46.02 46.37 2ysa n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ysa h SER 5 N 0.00 0.03 -2.88 1.61 4.64 -2.04 -3.38 113.55 111.54 2ysa h SER 5 Ca 0.00 0.24 -0.53 0.00 -0.47 0.00 0.00 61.79 61.03 2ysa h SER 5 Cb 0.00 0.31 0.02 0.00 -0.31 0.00 0.00 62.40 62.42 2ysa h SER 5 CO 0.00 -0.29 0.84 -0.55 -0.87 0.00 0.00 176.83 175.96 2ysa s SER 6 N -4.88 6.74 0.00 4.97 0.15 -1.25 -4.99 113.70 114.44 2ysa s SER 6 Ca -0.11 2.37 0.00 0.00 0.70 0.00 0.00 55.95 58.91 2ysa s SER 6 Cb 0.30 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2ysa s SER 6 CO 0.78 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2ysa n GLY 7 N 3.69 1.52 3.82 9.45 0.00 -1.26 -4.86 105.19 117.55 2ysa n GLY 7 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 2ysa n GLY 7 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ysa s TYR 8 N 0.00 -0.10 -0.01 1.61 -0.85 -1.26 -5.01 117.35 111.73 2ysa s TYR 8 Ca 0.00 -0.35 -0.24 0.00 -0.52 0.00 0.00 57.07 55.96 2ysa s TYR 8 Cb 0.00 0.71 0.05 0.00 0.38 0.00 0.00 41.96 43.10 2ysa s TYR 8 CO 0.00 -1.15 0.53 0.99 -1.52 0.00 0.00 175.55 174.40 2ysa s THR 9 N -3.32 0.03 -0.28 -3.49 2.01 -1.26 -4.82 115.64 104.52 2ysa s THR 9 Ca 0.13 -0.21 -0.35 0.00 0.31 0.00 0.00 61.69 61.57 2ysa s THR 9 Cb -0.04 -0.89 -0.11 0.00 0.01 0.00 0.00 72.50 71.46 2ysa s THR 9 CO 0.06 -0.12 2.09 0.00 -0.69 0.00 0.00 174.62 175.97 2ysa n PHE 11 N 9.01 0.00 -0.01 0.00 7.35 -1.26 -0.71 117.46 131.84 2ysa n PHE 11 Ca 0.35 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 57.04 2ysa n PHE 11 Cb 0.26 -0.14 -0.00 0.00 0.35 0.00 0.00 39.48 39.94 2ysa n PHE 11 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2ysa h ARG 12 N 0.00 -0.02 0.00 -4.13 2.43 -1.89 -3.42 114.38 107.35 2ysa h ARG 12 Ca 0.00 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.80 2ysa h ARG 12 Cb 0.12 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.60 2ysa h ARG 12 CO 0.00 -0.01 -2.40 0.00 -1.51 0.00 0.00 179.97 176.05 2ysa n GLY 14 N 1.79 1.02 3.10 0.00 0.00 0.11 -4.65 105.19 106.57 2ysa n GLY 14 Ca -0.34 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 2ysa n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ysa s LYS 15 N -0.02 1.56 0.91 1.61 -0.14 -1.23 -4.88 119.74 117.54 2ysa s LYS 15 Ca 0.00 -0.53 -0.15 0.00 -1.36 0.00 0.00 55.97 53.93 2ysa s LYS 15 Cb 0.00 -1.38 0.23 0.00 -1.68 0.00 0.00 37.83 35.00 2ysa s LYS 15 CO 0.00 0.22 0.80 -0.35 -0.76 0.00 0.00 175.35 175.26 2ysa n PRO 16 N 3.16 -2.60 0.00 -1.68 -0.04 -1.26 -2.48 135.00 130.10 2ysa n PRO 16 Ca -0.18 -1.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 2ysa n PRO 16 Cb 0.53 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 2ysa n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ysa n GLY 17 N -2.88 1.78 3.46 0.55 0.00 -1.26 -4.86 105.19 101.99 2ysa n GLY 17 Ca 0.11 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 2ysa n GLY 17 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2ysa s HIS 18 N -0.38 1.76 0.48 1.61 -3.43 -1.26 -5.10 115.29 108.97 2ysa s HIS 18 Ca 0.00 -1.32 0.04 0.00 -0.80 0.00 0.00 55.06 52.98 2ysa s HIS 18 Cb 0.00 -1.08 -0.03 0.00 -1.43 0.00 0.00 32.58 30.04 2ysa s HIS 18 CO 0.00 -0.37 0.05 1.52 -2.00 0.00 0.00 174.74 173.93 2ysa s TYR 19 N -3.30 2.10 0.47 0.38 1.13 -1.26 -2.64 117.35 114.22 2ysa s TYR 19 Ca 0.28 -0.84 0.41 0.00 -1.41 0.00 0.00 57.07 55.51 2ysa s TYR 19 Cb 0.03 -1.71 2.11 0.00 -1.10 0.00 0.00 41.96 41.29 2ysa s TYR 19 CO 0.16 0.24 2.24 0.97 -2.51 0.00 0.00 175.55 176.65 2ysa h ILE 20 N 1.44 0.00 0.03 -3.49 2.10 -1.88 0.29 117.51 116.00 2ysa h ILE 20 Ca -0.43 -0.12 -0.30 0.00 1.08 0.00 0.00 64.86 65.09 2ysa h ILE 20 Cb 1.29 1.08 -0.04 0.00 -1.09 0.00 0.00 36.82 38.05 2ysa h ILE 20 CO 0.75 0.00 -1.69 0.11 -1.08 0.00 0.00 178.15 176.24 2ysa h LYS 21 N 0.00 0.07 -0.52 2.19 1.79 -2.01 -3.34 116.57 114.75 2ysa h LYS 21 Ca 0.00 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2ysa h LYS 21 Cb 0.12 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 2ysa h LYS 21 CO 0.00 0.70 0.00 -1.71 -1.08 0.00 0.00 179.45 177.36 2ysa n ASN 22 N -3.17 4.57 -4.74 0.86 5.15 -0.65 -4.99 115.26 112.29 2ysa n ASN 22 Ca -0.18 -2.61 -0.41 0.00 -0.60 0.00 0.00 54.58 50.77 2ysa n ASN 22 Cb 1.04 -0.55 -0.03 0.00 -0.53 0.00 0.00 39.78 39.71 2ysa n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ysa h PRO 24 N 5.07 0.21 -1.46 0.00 0.13 -1.94 -3.17 132.00 130.84 2ysa h PRO 24 Ca -0.45 -0.11 0.46 0.00 -0.87 0.00 0.00 66.00 65.03 2ysa h PRO 24 Cb 1.22 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 2ysa h PRO 24 CO 0.75 0.64 1.00 0.25 -0.23 0.00 0.00 178.00 180.40 2ysa n THR 25 N -4.68 -0.12 -0.31 1.56 -2.24 -1.26 0.33 114.28 107.56 2ysa n THR 25 Ca -0.07 1.47 0.12 0.00 -2.27 0.00 0.00 64.05 63.30 2ysa n THR 25 Cb 0.32 -2.42 0.27 0.00 -2.10 0.00 0.00 70.33 66.39 2ysa n THR 25 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2ysa h ASN 26 N 0.00 -0.27 0.32 3.42 2.35 -1.92 -0.83 115.58 118.64 2ysa h ASN 26 Ca 0.80 0.23 -0.33 0.00 -0.55 0.00 0.00 56.30 56.45 2ysa h ASN 26 Cb 2.88 0.37 -0.00 0.00 0.05 0.00 0.00 38.32 41.62 2ysa h ASN 26 CO -0.23 -0.25 -1.68 1.23 -1.65 0.00 0.00 177.43 174.85 2ysa h GLY 27 N 0.10 0.34 -6.15 2.83 0.00 -0.38 -3.45 103.07 96.36 2ysa h GLY 27 Ca 0.54 -0.86 -0.57 0.00 0.00 0.00 0.00 47.33 46.45 2ysa h GLY 27 CO -0.77 0.75 1.20 0.99 0.00 0.00 0.00 176.54 178.71 2ysa s ASP 28 N -7.06 6.23 0.44 0.19 1.11 -0.32 -4.98 116.67 112.28 2ysa s ASP 28 Ca -0.13 1.75 -0.17 0.00 0.18 0.00 0.00 52.55 54.18 2ysa s ASP 28 Cb 0.06 -2.53 -0.09 0.00 1.07 0.00 0.00 42.92 41.44 2ysa s ASP 28 CO 0.84 -1.36 0.89 -1.59 1.18 0.00 0.00 175.17 175.14 2ysa s LYS 29 N 4.94 4.01 -0.91 8.23 -2.85 -1.26 -4.07 119.74 127.82 2ysa s LYS 29 Ca 0.78 0.87 -0.04 0.00 -1.00 0.00 0.00 55.97 56.57 2ysa s LYS 29 Cb -0.28 -2.24 0.00 0.00 -2.06 0.00 0.00 37.83 33.25 2ysa s LYS 29 CO 0.32 -0.09 0.79 -1.71 0.10 0.00 0.00 175.35 174.76 2ysa n ASN 30 N -1.04 -4.20 -3.50 0.03 5.15 -1.26 -5.02 115.26 105.42 2ysa n ASN 30 Ca 0.05 -0.39 -0.20 0.00 -0.60 0.00 0.00 54.58 53.44 2ysa n ASN 30 Cb 0.54 -3.68 -0.13 0.00 -0.53 0.00 0.00 39.78 35.98 2ysa n ASN 30 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2ysa s PHE 31 N -3.23 -0.20 -0.17 1.20 5.36 -1.26 -5.01 117.98 114.67 2ysa s PHE 31 Ca 0.29 -0.00 -0.06 0.00 -0.96 0.00 0.00 56.93 56.20 2ysa s PHE 31 Cb -0.13 -0.46 -0.23 0.00 -0.34 0.00 0.00 43.02 41.86 2ysa s PHE 31 CO 0.51 -0.66 0.17 -1.91 -1.46 0.00 0.00 175.22 171.87 2ysa n GLU 32 N 5.31 0.71 -3.85 10.12 2.13 -1.26 -4.96 120.64 128.83 2ysa n GLU 32 Ca -0.05 0.26 -0.03 0.00 0.66 0.00 0.00 57.16 57.99 2ysa n GLU 32 Cb 0.48 -1.66 0.01 0.00 0.27 0.00 0.00 31.44 30.55 2ysa n GLU 32 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2ysa s SER 33 N -6.91 -0.03 0.16 4.31 0.15 -1.26 -4.67 113.70 105.45 2ysa s SER 33 Ca -0.27 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 55.75 2ysa s SER 33 Cb 0.07 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2ysa s SER 33 CO 0.70 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2ysa n GLY 34 N -0.66 0.47 3.77 9.45 0.00 -1.26 -5.06 105.19 111.90 2ysa n GLY 34 Ca -0.04 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 2ysa n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ysa s PRO 35 N 0.24 2.98 0.08 1.61 0.04 -1.26 -4.99 135.00 133.70 2ysa s PRO 35 Ca 0.00 1.45 -0.31 0.00 0.04 0.00 0.00 61.00 62.19 2ysa s PRO 35 Cb 0.00 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 2ysa s PRO 35 CO 0.00 -1.12 1.21 0.50 0.04 0.00 0.00 177.00 177.63 2ysa s ARG 36 N -3.86 4.44 -0.11 4.56 3.00 -1.26 -5.02 118.95 120.69 2ysa s ARG 36 Ca 0.69 1.81 -0.09 0.00 -1.00 0.00 0.00 55.73 57.13 2ysa s ARG 36 Cb -0.21 -3.32 -0.05 0.00 0.00 0.00 0.00 34.95 31.37 2ysa s ARG 36 CO 0.37 -0.24 0.20 -1.50 0.00 0.00 0.00 175.30 174.13 2ysa s ILE 37 N 0.89 5.39 -0.04 4.11 1.10 -1.26 -5.03 121.20 126.36 2ysa s ILE 37 Ca 0.58 0.36 -0.09 0.00 -0.51 0.00 0.00 60.65 60.99 2ysa s ILE 37 Cb -0.30 -3.49 -0.05 0.00 0.15 0.00 0.00 42.46 38.77 2ysa s ILE 37 CO 0.30 0.57 0.46 0.11 -2.11 0.00 0.00 174.94 174.27 2ysa h LYS 38 N 5.31 -0.32 -4.97 3.50 1.79 -1.99 -3.47 116.57 116.42 2ysa h LYS 38 Ca -0.51 0.02 -0.41 0.00 -2.18 0.00 0.00 60.65 57.57 2ysa h LYS 38 Cb 1.21 0.07 0.06 0.00 -1.58 0.00 0.00 32.23 32.00 2ysa h LYS 38 CO 0.63 -0.21 -0.63 1.17 -1.08 0.00 0.00 179.45 179.32 2ysa n LYS 39 N -4.32 -5.53 -0.08 3.15 3.00 -1.26 -4.88 118.16 108.24 2ysa n LYS 39 Ca -0.04 0.84 -0.11 0.00 -0.00 0.00 0.00 58.31 59.00 2ysa n LYS 39 Cb 0.13 -5.74 -0.09 0.00 0.00 0.00 0.00 35.03 29.33 2ysa n LYS 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2ysa n SER 40 N -2.64 2.34 -3.75 3.14 2.88 -1.26 -5.03 113.62 109.31 2ysa n SER 40 Ca -0.07 -0.07 -0.13 0.00 -1.33 0.00 0.00 58.87 57.27 2ysa n SER 40 Cb 0.60 0.03 -0.11 0.00 -0.75 0.00 0.00 64.21 63.98 2ysa n SER 40 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ysa s THR 41 N -2.35 0.00 0.00 2.46 -1.32 -1.26 -5.09 115.64 108.08 2ysa s THR 41 Ca -0.19 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.28 2ysa s THR 41 Cb 0.06 -0.50 0.00 0.00 -1.51 0.00 0.00 72.50 70.55 2ysa s THR 41 CO 0.45 -0.01 0.00 0.61 -2.21 0.00 0.00 174.62 173.46 2ysa n GLY 42 N 2.84 1.23 3.79 6.08 0.00 -1.26 -5.09 105.19 112.78 2ysa n GLY 42 Ca -0.13 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 2ysa n GLY 42 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2ysa s ILE 43 N 0.00 3.65 -0.00 -0.61 -4.36 -1.26 -4.99 121.20 113.63 2ysa s ILE 43 Ca 0.00 0.99 -0.24 0.00 -0.26 0.00 0.00 60.65 61.14 2ysa s ILE 43 Cb 0.00 -3.40 -0.19 0.00 1.25 0.00 0.00 42.46 40.12 2ysa s ILE 43 CO 0.00 -0.25 1.29 1.55 0.24 0.00 0.00 174.94 177.77 2ysa h PRO 44 N 1.34 0.11 -2.19 0.37 0.13 -2.06 -3.48 132.00 126.22 2ysa h PRO 44 Ca -0.49 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 64.65 2ysa h PRO 44 Cb 1.23 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.19 2ysa h PRO 44 CO 0.58 0.56 0.43 -0.98 -0.23 0.00 0.00 178.00 178.36 2ysa s ARG 45 N -4.27 0.86 -0.20 0.86 1.70 -1.26 -5.16 118.95 111.48 2ysa s ARG 45 Ca -0.15 -0.16 -0.05 0.00 -0.47 0.00 0.00 55.73 54.90 2ysa s ARG 45 Cb 0.03 0.40 0.10 0.00 -0.57 0.00 0.00 34.95 34.91 2ysa s ARG 45 CO 0.70 -0.34 0.38 -1.54 -1.08 0.00 0.00 175.30 173.41 2ysa s SER 46 N -2.06 0.01 0.61 -2.89 1.04 -1.26 -5.15 113.70 103.99 2ysa s SER 46 Ca 0.01 0.69 -0.17 0.00 0.48 0.00 0.00 55.95 56.96 2ysa s SER 46 Cb -0.01 1.17 -0.03 0.00 0.10 0.00 0.00 66.02 67.26 2ysa s SER 46 CO -0.05 -0.25 1.10 0.72 0.98 0.00 0.00 173.24 175.74 2ysa s PHE 47 N 2.56 2.71 -0.01 5.02 -0.12 -1.26 -5.06 117.98 121.82 2ysa s PHE 47 Ca 0.03 1.54 0.02 0.00 -0.05 0.00 0.00 56.93 58.48 2ysa s PHE 47 Cb -0.13 -3.17 -0.00 0.00 -0.63 0.00 0.00 43.02 39.08 2ysa s PHE 47 CO -0.13 -1.53 -0.07 0.00 -0.05 0.00 0.00 175.22 173.45 2ysa s MET 48 N -3.82 0.56 0.02 1.99 0.23 -1.26 -5.15 119.30 111.88 2ysa s MET 48 Ca 0.68 -0.23 -0.23 0.00 -1.03 0.00 0.00 55.69 54.87 2ysa s MET 48 Cb -0.21 -0.54 0.05 0.00 -1.53 0.00 0.00 34.83 32.60 2ysa s MET 48 CO 0.36 0.13 0.53 0.00 -2.03 0.00 0.00 175.02 174.01 2ysa s MET 49 N -0.11 1.01 0.00 3.16 0.23 -1.26 -5.02 119.30 117.32 2ysa s MET 49 Ca 0.02 -0.14 0.07 0.00 -1.03 0.00 0.00 55.69 54.61 2ysa s MET 49 Cb -0.03 0.46 0.42 0.00 -1.53 0.00 0.00 34.83 34.15 2ysa s MET 49 CO -0.00 -0.35 1.17 -0.85 -2.03 0.00 0.00 175.02 172.96 2ysa n GLU 50 N 0.57 0.89 -0.01 3.16 0.28 -1.26 -2.70 120.64 121.57 2ysa n GLU 50 Ca -0.19 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 56.93 2ysa n GLU 50 Cb 0.59 -1.12 0.10 0.00 1.43 0.00 0.00 31.44 32.44 2ysa n GLU 50 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2ysa n VAL 51 N -0.62 0.03 0.13 3.84 0.31 -1.26 -4.37 118.33 116.38 2ysa n VAL 51 Ca 0.05 -0.51 0.17 0.00 -0.01 0.00 0.00 64.34 64.03 2ysa n VAL 51 Cb 0.02 1.44 0.73 0.00 -0.91 0.00 0.00 33.84 35.13 2ysa n VAL 51 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2ysa h LYS 52 N 4.40 0.00 -3.38 5.55 1.79 -1.94 -3.36 116.57 119.62 2ysa h LYS 52 Ca 0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 2ysa h LYS 52 Cb 0.94 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.19 2ysa h LYS 52 CO 0.00 0.00 -0.76 0.16 -1.08 0.00 0.00 179.45 177.77 2ysa s ASP 53 N -6.20 2.98 0.00 0.86 -4.77 -1.26 -4.99 116.67 103.28 2ysa s ASP 53 Ca -0.05 -0.91 0.11 0.00 -3.30 0.00 0.00 52.55 48.41 2ysa s ASP 53 Cb 0.17 -0.53 0.68 0.00 -1.09 0.00 0.00 42.92 42.15 2ysa s ASP 53 CO 0.65 -0.34 1.12 -0.81 0.70 0.00 0.00 175.17 176.48 2ysa n PRO 54 N 5.09 0.49 0.00 2.11 -0.04 -1.26 -5.09 135.00 136.30 2ysa n PRO 54 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2ysa n PRO 54 Cb 0.46 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2ysa n PRO 54 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75