#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 6.80 -0.21 1.61 1.04 -1.26 -4.99 113.70 116.70 2ysa s SER 2 Ca 0.00 0.96 -0.20 0.00 0.48 0.00 0.00 55.95 57.19 2ysa s SER 2 Cb 0.00 -2.31 -0.19 0.00 0.10 0.00 0.00 66.02 63.62 2ysa s SER 2 CO 0.00 0.09 0.19 -1.54 0.98 0.00 0.00 173.24 172.96 2ysa n SER 3 N 3.03 1.88 0.00 7.02 3.41 -1.26 -5.09 113.62 122.61 2ysa n SER 3 Ca -0.08 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2ysa n SER 3 Cb 0.52 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 2ysa n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ysa n GLY 4 N 1.46 0.72 0.33 5.00 0.00 -1.26 -4.94 105.19 106.51 2ysa n GLY 4 Ca -0.34 -0.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 2ysa n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ysa h SER 5 N 0.00 -0.67 0.00 1.61 0.87 -2.05 -3.37 113.55 109.93 2ysa h SER 5 Ca 0.00 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.48 2ysa h SER 5 Cb 0.00 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 2ysa h SER 5 CO 0.00 -0.41 -0.65 -1.28 -0.53 0.00 0.00 176.83 173.97 2ysa h SER 6 N -0.91 0.00 0.00 6.23 0.87 -2.07 -3.50 113.55 114.17 2ysa h SER 6 Ca -0.08 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2ysa h SER 6 Cb 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2ysa h SER 6 CO 0.13 0.93 0.00 0.61 -0.53 0.00 0.00 176.83 177.98 2ysa n GLY 7 N 1.58 2.00 3.81 5.77 0.00 -1.26 -5.08 105.19 112.01 2ysa n GLY 7 Ca -0.13 -0.48 -0.05 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.15 0.01 1.61 -0.85 -1.26 -5.02 117.35 111.69 2ysa s TYR 8 Ca 0.00 -0.24 -0.21 0.00 -0.52 0.00 0.00 57.07 56.10 2ysa s TYR 8 Cb 0.00 0.68 0.04 0.00 0.38 0.00 0.00 41.96 43.06 2ysa s TYR 8 CO 0.00 -1.04 0.47 0.99 -1.52 0.00 0.00 175.55 174.45 2ysa s THR 9 N -3.55 0.04 -0.34 -3.49 2.01 -1.26 -4.83 115.64 104.22 2ysa s THR 9 Ca 0.12 -0.32 -0.34 0.00 0.31 0.00 0.00 61.69 61.46 2ysa s THR 9 Cb -0.04 -0.88 -0.11 0.00 0.01 0.00 0.00 72.50 71.49 2ysa s THR 9 CO 0.05 -0.17 2.20 0.00 -0.69 0.00 0.00 174.62 176.00 2ysa n PHE 11 N 10.14 0.00 -0.01 0.00 7.35 -1.26 -0.49 117.46 133.19 2ysa n PHE 11 Ca 0.40 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 57.09 2ysa n PHE 11 Cb 0.26 -0.11 -0.00 0.00 0.35 0.00 0.00 39.48 39.97 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 0.00 0.00 -4.13 2.43 -1.89 -3.42 114.38 107.36 2ysa h ARG 12 Ca 0.00 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.87 2ysa h ARG 12 Cb 0.08 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.57 2ysa h ARG 12 CO 0.00 0.00 -2.19 0.00 -1.51 0.00 0.00 179.97 176.27 2ysa n GLY 14 N 1.64 1.13 3.08 0.00 0.00 0.36 -5.09 105.19 106.31 2ysa n GLY 14 Ca -0.26 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.73 1.89 1.02 1.61 -0.14 -1.23 -4.88 119.74 117.28 2ysa s LYS 15 Ca 0.00 -0.53 -0.17 0.00 -1.36 0.00 0.00 55.97 53.91 2ysa s LYS 15 Cb 0.00 -1.55 0.25 0.00 -1.68 0.00 0.00 37.83 34.85 2ysa s LYS 15 CO 0.00 0.11 0.90 -0.35 -0.76 0.00 0.00 175.35 175.25 2ysa n PRO 16 N 3.58 -2.79 0.00 -1.68 -0.04 -1.26 -2.76 135.00 130.05 2ysa n PRO 16 Ca -0.21 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 2ysa n PRO 16 Cb 0.52 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 -3.51 2.38 3.38 0.55 0.00 -1.26 -4.88 105.19 101.85 2ysa n GLY 17 Ca 0.12 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.91 1.69 0.24 1.61 -3.43 -1.26 -5.11 115.29 108.12 2ysa s HIS 18 Ca 0.00 -1.39 0.10 0.00 -0.80 0.00 0.00 55.06 52.97 2ysa s HIS 18 Cb 0.00 -0.93 -0.04 0.00 -1.43 0.00 0.00 32.58 30.18 2ysa s HIS 18 CO 0.00 -0.51 -0.10 1.52 -2.00 0.00 0.00 174.74 173.65 2ysa s TYR 19 N -3.46 2.53 0.54 0.38 1.13 -1.26 -3.17 117.35 114.04 2ysa s TYR 19 Ca 0.33 -0.26 0.36 0.00 -1.41 0.00 0.00 57.07 56.08 2ysa s TYR 19 Cb 0.04 -1.15 1.54 0.00 -1.10 0.00 0.00 41.96 41.29 2ysa s TYR 19 CO 0.18 0.61 1.82 0.97 -2.51 0.00 0.00 175.55 176.63 2ysa h ILE 20 N 2.31 0.43 0.09 -3.49 2.10 -1.88 0.76 117.51 117.83 2ysa h ILE 20 Ca -0.44 0.00 -0.26 0.00 1.08 0.00 0.00 64.86 65.24 2ysa h ILE 20 Cb 1.24 0.44 0.01 0.00 -1.09 0.00 0.00 36.82 37.41 2ysa h ILE 20 CO 0.58 0.00 -1.15 0.11 -1.08 0.00 0.00 178.15 176.61 2ysa h LYS 21 N 0.00 0.32 -0.62 2.19 1.57 -2.01 -3.23 116.57 114.80 2ysa h LYS 21 Ca 0.53 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2ysa h LYS 21 Cb 2.15 0.16 0.00 0.00 0.08 0.00 0.00 32.23 34.62 2ysa h LYS 21 CO -0.01 1.19 0.00 -1.71 -0.57 0.00 0.00 179.45 178.35 2ysa n ASN 22 N -3.61 5.21 -4.74 0.86 5.15 0.19 -4.97 115.26 113.34 2ysa n ASN 22 Ca -0.08 -2.67 -0.41 0.00 -0.60 0.00 0.00 54.58 50.82 2ysa n ASN 22 Cb 0.96 -0.63 -0.03 0.00 -0.53 0.00 0.00 39.78 39.56 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 5.03 0.20 -0.83 0.00 0.13 -1.92 -3.21 132.00 131.39 2ysa h PRO 24 Ca -0.45 -0.10 0.34 0.00 -0.87 0.00 0.00 66.00 64.91 2ysa h PRO 24 Cb 1.22 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 2ysa h PRO 24 CO 0.75 0.63 0.47 0.25 -0.23 0.00 0.00 178.00 179.87 2ysa n THR 25 N -4.69 -0.31 -0.33 1.56 -2.24 -1.26 0.42 114.28 107.44 2ysa n THR 25 Ca -0.07 1.55 0.03 0.00 -2.27 0.00 0.00 64.05 63.29 2ysa n THR 25 Cb 0.31 -2.53 0.10 0.00 -2.10 0.00 0.00 70.33 66.12 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 -0.98 -1.60 3.42 2.35 -1.94 -0.53 115.58 116.30 2ysa h ASN 26 Ca 0.67 0.28 -0.76 0.00 -0.55 0.00 0.00 56.30 55.94 2ysa h ASN 26 Cb 1.83 0.61 -0.19 0.00 0.05 0.00 0.00 38.32 40.62 2ysa h ASN 26 CO -0.56 -0.30 1.75 0.61 -1.65 0.00 0.00 177.43 177.28 2ysa n GLY 27 N -1.56 5.55 3.15 2.83 0.00 0.17 -4.82 105.19 110.50 2ysa n GLY 27 Ca 0.13 -2.26 -0.26 0.00 0.00 0.00 0.00 46.02 43.63 2ysa n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ysa s ASP 28 N -0.34 2.17 0.09 1.61 2.15 -0.21 -5.04 116.67 117.10 2ysa s ASP 28 Ca 0.48 -0.35 -0.15 0.00 0.43 0.00 0.00 52.55 52.96 2ysa s ASP 28 Cb 0.20 -0.52 -0.10 0.00 -0.30 0.00 0.00 42.92 42.20 2ysa s ASP 28 CO -0.13 0.17 1.38 0.11 -0.17 0.00 0.00 175.17 176.54 2ysa h LYS 29 N 6.12 0.68 -0.11 4.34 1.79 -1.91 -0.95 116.57 126.53 2ysa h LYS 29 Ca -0.34 -0.40 -0.04 0.00 -2.18 0.00 0.00 60.65 57.70 2ysa h LYS 29 Cb 1.17 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2ysa h LYS 29 CO 0.48 1.01 -0.09 -0.97 -1.08 0.00 0.00 179.45 178.80 2ysa h ASN 30 N 0.40 0.27 -0.48 0.86 -1.24 -1.97 -2.70 115.58 110.72 2ysa h ASN 30 Ca 0.03 -0.46 -0.01 0.00 0.71 0.00 0.00 56.30 56.57 2ysa h ASN 30 Cb 0.94 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.89 2ysa h ASN 30 CO 0.08 0.67 0.26 0.15 -1.29 0.00 0.00 177.43 177.30 2ysa h PHE 31 N -0.13 0.67 -0.87 0.67 3.57 -1.87 -2.70 116.94 116.28 2ysa h PHE 31 Ca 0.02 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.58 2ysa h PHE 31 Cb 0.58 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.04 2ysa h PHE 31 CO 0.08 0.50 0.53 0.93 -2.23 0.00 0.00 178.31 178.12 2ysa h GLU 32 N 0.63 0.90 -2.53 1.11 4.39 -1.19 -3.46 114.58 114.43 2ysa h GLU 32 Ca 0.17 -0.05 0.14 0.00 0.34 0.00 0.00 59.36 59.96 2ysa h GLU 32 Cb 0.07 -0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 28.46 2ysa h GLU 32 CO -0.03 0.59 0.46 -1.54 -1.16 0.00 0.00 179.01 177.34 2ysa s SER 33 N -5.72 -0.12 0.00 1.42 1.04 -1.02 -5.10 113.70 104.21 2ysa s SER 33 Ca -0.12 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.73 2ysa s SER 33 Cb 0.19 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.87 2ysa s SER 33 CO 0.79 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2ysa n GLY 34 N -0.53 0.60 0.00 7.32 0.00 -1.26 -4.04 105.19 107.27 2ysa n GLY 34 Ca -0.05 -1.54 0.06 0.00 0.00 0.00 0.00 46.02 44.48 2ysa n GLY 34 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ysa n PRO 35 N 0.00 0.49 -3.19 1.61 -0.04 -1.26 -4.84 135.00 127.77 2ysa n PRO 35 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2ysa n PRO 35 Cb 0.00 -1.35 0.07 0.00 -0.04 0.00 0.00 33.50 32.17 2ysa n PRO 35 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2ysa n ARG 36 N -0.85 -5.53 -3.68 0.54 0.63 -1.26 -5.01 116.66 101.49 2ysa n ARG 36 Ca 0.08 0.67 -0.06 0.00 -0.92 0.00 0.00 57.85 57.62 2ysa n ARG 36 Cb 0.04 -5.18 -0.02 0.00 0.45 0.00 0.00 32.46 27.75 2ysa n ARG 36 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 2ysa s ILE 37 N -3.28 0.00 0.06 5.15 2.07 -1.26 -5.18 121.20 118.77 2ysa s ILE 37 Ca 0.11 -0.50 0.05 0.00 -1.41 0.00 0.00 60.65 58.90 2ysa s ILE 37 Cb -0.05 -1.66 -0.03 0.00 0.13 0.00 0.00 42.46 40.85 2ysa s ILE 37 CO 0.58 0.00 -0.15 -1.59 -1.91 0.00 0.00 174.94 171.87 2ysa s LYS 38 N -3.42 0.89 0.21 3.50 0.00 -1.26 -4.91 119.74 114.76 2ysa s LYS 38 Ca 0.09 -0.92 0.07 0.00 0.00 0.00 0.00 55.97 55.21 2ysa s LYS 38 Cb -0.02 -0.93 -0.04 0.00 0.00 0.00 0.00 37.83 36.84 2ysa s LYS 38 CO -0.01 0.22 0.12 0.15 0.00 0.00 0.00 175.35 175.82 2ysa s LYS 39 N -1.57 2.74 -0.15 1.78 1.02 -1.26 -5.12 119.74 117.18 2ysa s LYS 39 Ca 0.00 -1.06 -0.05 0.00 0.02 0.00 0.00 55.97 54.89 2ysa s LYS 39 Cb -0.09 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 2ysa s LYS 39 CO 0.02 0.43 0.01 -1.12 -0.92 0.00 0.00 175.35 173.78 2ysa s SER 40 N -3.44 5.26 0.70 2.83 0.01 -1.26 -5.10 113.70 112.69 2ysa s SER 40 Ca 0.31 0.03 -0.12 0.00 1.31 0.00 0.00 55.95 57.49 2ysa s SER 40 Cb -0.09 -1.78 0.01 0.00 0.21 0.00 0.00 66.02 64.38 2ysa s SER 40 CO 0.23 0.23 1.07 0.42 0.41 0.00 0.00 173.24 175.60 2ysa s THR 41 N 0.00 3.72 0.00 1.44 -4.23 -1.26 -5.03 115.64 110.29 2ysa s THR 41 Ca 0.03 0.62 0.00 0.00 -1.18 0.00 0.00 61.69 61.16 2ysa s THR 41 Cb -0.13 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.48 2ysa s THR 41 CO 0.02 -0.68 0.13 0.61 -0.54 0.00 0.00 174.62 174.16 2ysa n GLY 42 N -1.48 -0.31 3.81 3.99 0.00 -1.26 -4.92 105.19 105.01 2ysa n GLY 42 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.97 4.79 -2.00 -0.61 -4.36 -1.26 -4.98 121.20 111.81 2ysa s ILE 43 Ca 0.00 -0.54 0.00 0.00 -0.26 0.00 0.00 60.65 59.85 2ysa s ILE 43 Cb 0.00 -3.27 0.00 0.00 1.25 0.00 0.00 42.46 40.45 2ysa s ILE 43 CO 0.00 0.22 0.49 -0.81 0.24 0.00 0.00 174.94 175.08 2ysa n PRO 44 N 0.73 0.48 -4.09 0.37 -0.04 -1.26 -4.55 135.00 126.64 2ysa n PRO 44 Ca -0.10 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.08 2ysa n PRO 44 Cb 0.52 -1.00 -0.17 0.00 -0.04 0.00 0.00 33.50 32.81 2ysa n PRO 44 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2ysa s ARG 45 N -2.00 1.92 0.01 0.54 0.52 -1.26 -5.12 118.95 113.56 2ysa s ARG 45 Ca 0.00 -0.42 -0.19 0.00 -0.52 0.00 0.00 55.73 54.60 2ysa s ARG 45 Cb 0.00 -1.80 0.04 0.00 0.52 0.00 0.00 34.95 33.71 2ysa s ARG 45 CO 0.00 -0.20 0.41 0.45 0.02 0.00 0.00 175.30 175.98 2ysa s SER 46 N 1.42 -0.30 -0.04 0.23 0.15 -1.26 -5.07 113.70 108.83 2ysa s SER 46 Ca 0.01 0.12 -0.00 0.00 0.70 0.00 0.00 55.95 56.78 2ysa s SER 46 Cb -0.13 0.40 0.03 0.00 -1.71 0.00 0.00 66.02 64.60 2ysa s SER 46 CO -0.07 -0.58 0.01 0.12 1.20 0.00 0.00 173.24 173.92 2ysa s PHE 47 N -1.91 0.31 0.62 3.44 2.19 -1.26 -5.01 117.98 116.36 2ysa s PHE 47 Ca -0.09 0.03 0.27 0.00 0.33 0.00 0.00 56.93 57.47 2ysa s PHE 47 Cb -0.02 -0.47 1.36 0.00 -1.31 0.00 0.00 43.02 42.58 2ysa s PHE 47 CO 0.02 -0.17 1.78 0.00 1.83 0.00 0.00 175.22 178.67 2ysa h MET 48 N 7.63 0.00 -1.86 10.12 -0.00 -2.08 -3.35 114.93 125.38 2ysa h MET 48 Ca -0.34 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.27 2ysa h MET 48 Cb 1.13 0.00 -0.27 0.00 -0.00 0.00 0.00 31.60 32.45 2ysa h MET 48 CO 0.38 0.00 -0.41 -1.64 -0.00 0.00 0.00 176.91 175.24 2ysa s MET 49 N -4.43 0.39 -0.05 -0.10 -1.94 -1.26 -5.01 119.30 106.90 2ysa s MET 49 Ca -0.04 0.74 0.10 0.00 -1.71 0.00 0.00 55.69 54.79 2ysa s MET 49 Cb 0.13 -0.10 0.39 0.00 2.01 0.00 0.00 34.83 37.25 2ysa s MET 49 CO 0.44 -0.55 1.24 -1.91 -0.01 0.00 0.00 175.02 174.23 2ysa n GLU 50 N 5.38 2.41 -0.11 2.03 2.13 -1.26 -4.02 120.64 127.20 2ysa n GLU 50 Ca -0.04 -1.53 0.03 0.00 0.66 0.00 0.00 57.16 56.28 2ysa n GLU 50 Cb 0.50 -1.56 0.09 0.00 0.27 0.00 0.00 31.44 30.74 2ysa n GLU 50 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2ysa n VAL 51 N 0.52 0.31 -0.76 6.31 3.14 -1.26 -3.43 118.33 123.16 2ysa n VAL 51 Ca 0.14 -0.27 0.08 0.00 -2.96 0.00 0.00 64.34 61.33 2ysa n VAL 51 Cb 0.51 0.07 0.27 0.00 -1.06 0.00 0.00 33.84 33.62 2ysa n VAL 51 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 2ysa n LYS 52 N 0.07 3.25 -3.97 1.45 3.00 -1.26 -4.87 118.16 115.84 2ysa n LYS 52 Ca 0.07 -2.71 -0.32 0.00 -0.00 0.00 0.00 58.31 55.34 2ysa n LYS 52 Cb 0.20 -1.77 -0.14 0.00 0.00 0.00 0.00 35.03 33.31 2ysa n LYS 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2ysa s ASP 53 N -1.47 4.83 -0.02 3.14 1.01 -1.22 -4.99 116.67 117.95 2ysa s ASP 53 Ca 0.41 -1.97 -0.25 0.00 0.71 0.00 0.00 52.55 51.44 2ysa s ASP 53 Cb 0.30 -1.66 -0.20 0.00 1.01 0.00 0.00 42.92 42.37 2ysa s ASP 53 CO 0.13 -0.38 1.23 1.55 0.21 0.00 0.00 175.17 177.91 2ysa h PRO 54 N 7.75 -0.05 -0.02 8.23 0.13 -1.91 -3.52 132.00 142.59 2ysa h PRO 54 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2ysa h PRO 54 Cb 1.03 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2ysa h PRO 54 CO 0.55 0.41 0.00 -1.71 -0.23 0.00 0.00 178.00 177.02