#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysa n SER 2 N 0.00 -4.00 -4.46 1.61 2.88 -1.26 -4.98 113.62 103.41 2ysa n SER 2 Ca 0.00 -0.78 -0.23 0.00 -1.33 0.00 0.00 58.87 56.54 2ysa n SER 2 Cb 0.00 -3.99 -0.10 0.00 -0.75 0.00 0.00 64.21 59.37 2ysa n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ysa s SER 3 N -3.57 3.10 -0.01 -3.46 1.04 -1.26 -5.16 113.70 104.39 2ysa s SER 3 Ca 0.50 -1.17 0.01 0.00 0.48 0.00 0.00 55.95 55.77 2ysa s SER 3 Cb -0.25 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.64 2ysa s SER 3 CO 0.82 -0.26 -0.04 -0.83 0.98 0.00 0.00 173.24 173.91 2ysa s GLY 4 N -3.49 0.24 -0.07 7.32 0.00 -1.26 -5.15 107.32 104.92 2ysa s GLY 4 Ca 0.30 -0.17 -0.18 0.00 0.00 0.00 0.00 44.72 44.68 2ysa s GLY 4 CO 0.13 -0.08 0.41 -1.35 0.00 0.00 0.00 173.10 172.21 2ysa s SER 5 N 0.03 -0.35 0.07 1.64 1.04 -1.26 -5.07 113.70 109.79 2ysa s SER 5 Ca 0.00 0.43 -0.36 0.00 0.48 0.00 0.00 55.95 56.51 2ysa s SER 5 Cb -0.03 0.53 -0.20 0.00 0.10 0.00 0.00 66.02 66.41 2ysa s SER 5 CO -0.00 -0.38 1.60 0.28 0.98 0.00 0.00 173.24 175.71 2ysa h SER 6 N 4.21 -0.99 0.00 7.02 0.02 -2.10 -3.46 113.55 118.25 2ysa h SER 6 Ca -0.28 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2ysa h SER 6 Cb 1.17 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2ysa h SER 6 CO 0.35 -0.70 0.00 0.61 -1.14 0.00 0.00 176.83 175.95 2ysa n GLY 7 N -1.59 1.75 3.84 -3.77 0.00 -1.26 -4.84 105.19 99.32 2ysa n GLY 7 Ca -0.15 0.14 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 0.06 0.00 1.61 -0.85 -1.26 -5.19 117.35 111.72 2ysa s TYR 8 Ca 0.00 -0.58 -0.28 0.00 -0.52 0.00 0.00 57.07 55.70 2ysa s TYR 8 Cb 0.00 0.76 0.09 0.00 0.38 0.00 0.00 41.96 43.19 2ysa s TYR 8 CO 0.00 -1.23 0.78 0.99 -1.52 0.00 0.00 175.55 174.57 2ysa s THR 9 N -2.46 0.00 -0.29 -3.49 2.01 -1.26 -4.86 115.64 105.29 2ysa s THR 9 Ca 0.17 0.00 -0.35 0.00 0.31 0.00 0.00 61.69 61.82 2ysa s THR 9 Cb -0.04 -1.00 -0.11 0.00 0.01 0.00 0.00 72.50 71.36 2ysa s THR 9 CO 0.08 0.00 2.10 0.00 -0.69 0.00 0.00 174.62 176.11 2ysa n PHE 11 N 9.06 0.00 -0.01 0.00 7.35 -1.26 -0.12 117.46 132.48 2ysa n PHE 11 Ca 0.36 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 57.05 2ysa n PHE 11 Cb 0.25 -0.27 -0.00 0.00 0.35 0.00 0.00 39.48 39.81 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 -3.43 114.38 107.34 2ysa h ARG 12 Ca 0.00 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.88 2ysa h ARG 12 Cb 0.19 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 2ysa h ARG 12 CO 0.00 -0.01 -2.11 0.00 -1.51 0.00 0.00 179.97 176.34 2ysa n GLY 14 N 2.03 1.89 3.44 0.00 0.00 0.84 -5.06 105.19 108.31 2ysa n GLY 14 Ca -0.27 0.00 -0.33 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 -0.78 3.28 1.11 1.61 -0.14 -1.24 -4.79 119.74 118.79 2ysa s LYS 15 Ca 0.00 -0.63 -0.19 0.00 -1.36 0.00 0.00 55.97 53.79 2ysa s LYS 15 Cb 0.00 -2.67 0.28 0.00 -1.68 0.00 0.00 37.83 33.76 2ysa s LYS 15 CO 0.00 0.32 0.99 -0.35 -0.76 0.00 0.00 175.35 175.55 2ysa n PRO 16 N 3.22 -2.95 0.00 -1.68 -0.04 -1.26 -2.37 135.00 129.92 2ysa n PRO 16 Ca -0.18 -1.58 0.00 0.00 -0.04 0.00 0.00 63.50 61.71 2ysa n PRO 16 Cb 0.53 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -4.07 2.24 3.28 0.55 0.00 -1.26 -4.87 105.19 101.07 2ysa n GLY 17 Ca 0.14 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.32 1.42 0.54 1.61 -3.43 -1.26 -5.10 115.29 108.74 2ysa s HIS 18 Ca 0.00 -1.19 0.05 0.00 -0.80 0.00 0.00 55.06 53.12 2ysa s HIS 18 Cb 0.00 -0.81 0.03 0.00 -1.43 0.00 0.00 32.58 30.37 2ysa s HIS 18 CO 0.00 -0.37 0.35 1.52 -2.00 0.00 0.00 174.74 174.24 2ysa s TYR 19 N -3.81 1.69 0.38 0.38 1.13 -1.26 -2.56 117.35 113.29 2ysa s TYR 19 Ca 0.36 -0.85 0.39 0.00 -1.41 0.00 0.00 57.07 55.56 2ysa s TYR 19 Cb 0.07 -1.88 1.93 0.00 -1.10 0.00 0.00 41.96 40.98 2ysa s TYR 19 CO 0.12 -0.37 2.18 0.97 -2.51 0.00 0.00 175.55 175.93 2ysa h ILE 20 N 0.84 0.00 0.00 -3.49 2.10 -1.88 0.28 117.51 115.35 2ysa h ILE 20 Ca -0.38 -0.21 -0.13 0.00 1.08 0.00 0.00 64.86 65.22 2ysa h ILE 20 Cb 1.30 1.18 -0.02 0.00 -1.09 0.00 0.00 36.82 38.19 2ysa h ILE 20 CO 0.59 0.00 -1.42 0.29 -1.08 0.00 0.00 178.15 176.53 2ysa n LYS 21 N -3.03 0.62 -0.27 2.19 4.76 -1.26 -4.00 118.16 117.18 2ysa n LYS 21 Ca -0.01 0.16 0.07 0.00 -2.87 0.00 0.00 58.31 55.66 2ysa n LYS 21 Cb 0.17 -1.78 0.21 0.00 -1.84 0.00 0.00 35.03 31.79 2ysa n LYS 21 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2ysa n ASN 22 N -2.79 3.36 -4.73 4.39 5.15 -0.64 -5.00 115.26 115.00 2ysa n ASN 22 Ca -0.08 -2.11 -0.42 0.00 -0.60 0.00 0.00 54.58 51.37 2ysa n ASN 22 Cb 0.77 -0.34 -0.03 0.00 -0.53 0.00 0.00 39.78 39.66 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 5.87 0.05 -0.92 0.00 0.13 -1.94 -3.21 132.00 131.98 2ysa h PRO 24 Ca -0.44 -0.03 0.33 0.00 -0.87 0.00 0.00 66.00 64.99 2ysa h PRO 24 Cb 1.21 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 2ysa h PRO 24 CO 0.82 0.53 0.58 0.25 -0.23 0.00 0.00 178.00 179.94 2ysa n THR 25 N -4.81 -0.20 -0.35 1.56 -2.24 -1.26 0.39 114.28 107.37 2ysa n THR 25 Ca -0.08 1.31 0.05 0.00 -2.27 0.00 0.00 64.05 63.05 2ysa n THR 25 Cb 0.27 -2.14 0.12 0.00 -2.10 0.00 0.00 70.33 66.48 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 -0.94 -0.30 3.42 2.35 -1.96 0.44 115.58 118.59 2ysa h ASN 26 Ca 0.62 0.29 -0.22 0.00 -0.55 0.00 0.00 56.30 56.44 2ysa h ASN 26 Cb 1.93 0.61 -0.08 0.00 0.05 0.00 0.00 38.32 40.82 2ysa h ASN 26 CO -0.37 -0.31 0.07 0.61 -1.65 0.00 0.00 177.43 175.78 2ysa n GLY 27 N -1.60 3.36 3.16 2.83 0.00 0.16 -4.77 105.19 108.33 2ysa n GLY 27 Ca 0.15 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 2ysa n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ysa s ASP 28 N 1.25 -0.36 -0.06 1.61 1.11 0.15 -5.05 116.67 115.32 2ysa s ASP 28 Ca 0.35 0.71 -0.25 0.00 0.18 0.00 0.00 52.55 53.55 2ysa s ASP 28 Cb 0.21 0.61 -0.25 0.00 1.07 0.00 0.00 42.92 44.56 2ysa s ASP 28 CO -0.04 -0.18 0.99 0.11 1.18 0.00 0.00 175.17 177.22 2ysa h LYS 29 N 7.22 0.17 -4.66 8.23 1.79 -1.86 -3.42 116.57 124.03 2ysa h LYS 29 Ca -0.38 -0.20 -0.68 0.00 -2.18 0.00 0.00 60.65 57.22 2ysa h LYS 29 Cb 1.17 0.06 -0.35 0.00 -1.58 0.00 0.00 32.23 31.53 2ysa h LYS 29 CO 0.32 0.96 -0.65 1.21 -1.08 0.00 0.00 179.45 180.21 2ysa s ASN 30 N -6.37 4.99 -0.18 0.86 2.47 -1.26 -5.07 114.94 110.37 2ysa s ASN 30 Ca -0.16 -1.67 0.01 0.00 0.42 0.00 0.00 52.86 51.46 2ysa s ASN 30 Cb 0.00 -1.74 0.04 0.00 -1.45 0.00 0.00 41.25 38.10 2ysa s ASN 30 CO 0.74 -0.37 -0.12 0.72 -3.72 0.00 0.00 177.10 174.35 2ysa s PHE 31 N 1.16 2.35 -0.02 0.43 -0.71 -1.26 -5.12 117.98 114.81 2ysa s PHE 31 Ca 0.02 -1.48 0.07 0.00 -1.04 0.00 0.00 56.93 54.49 2ysa s PHE 31 Cb -0.21 -1.63 -0.02 0.00 -1.21 0.00 0.00 43.02 39.95 2ysa s PHE 31 CO -0.03 -0.72 -0.23 -1.83 -1.34 0.00 0.00 175.22 171.07 2ysa s GLU 32 N 1.42 1.92 -0.38 1.99 1.03 -1.26 -5.11 118.70 118.32 2ysa s GLU 32 Ca 0.01 -0.82 -0.20 0.00 0.03 0.00 0.00 54.97 53.99 2ysa s GLU 32 Cb -0.15 -1.82 0.01 0.00 -0.80 0.00 0.00 34.13 31.36 2ysa s GLU 32 CO -0.09 0.47 0.59 -1.54 -1.33 0.00 0.00 175.26 173.36 2ysa s SER 33 N -0.47 6.36 0.02 0.83 1.04 -1.26 -5.01 113.70 115.21 2ysa s SER 33 Ca 0.07 -0.05 -0.39 0.00 0.48 0.00 0.00 55.95 56.06 2ysa s SER 33 Cb -0.09 -2.30 -0.19 0.00 0.10 0.00 0.00 66.02 63.53 2ysa s SER 33 CO -0.00 -0.60 1.09 0.61 0.98 0.00 0.00 173.24 175.32 2ysa n GLY 34 N 4.81 -0.22 0.00 7.32 0.00 -1.26 -4.78 105.19 111.06 2ysa n GLY 34 Ca -0.03 0.74 0.07 0.00 0.00 0.00 0.00 46.02 46.80 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 1.63 0.29 -2.37 1.61 -0.04 -1.26 -4.76 135.00 130.09 2ysa n PRO 35 Ca 0.20 0.11 -0.25 0.00 -0.04 0.00 0.00 63.50 63.51 2ysa n PRO 35 Cb 0.10 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.11 2ysa n PRO 35 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2ysa s ARG 36 N -2.41 2.58 -0.03 0.54 1.81 -1.26 -5.02 118.95 115.16 2ysa s ARG 36 Ca 0.17 -0.22 0.16 0.00 -1.72 0.00 0.00 55.73 54.11 2ysa s ARG 36 Cb 0.10 -2.27 -0.24 0.00 -0.45 0.00 0.00 34.95 32.09 2ysa s ARG 36 CO 0.21 -0.91 0.33 1.51 -0.68 0.00 0.00 175.30 175.76 2ysa n ILE 37 N -2.67 0.08 -4.92 1.52 3.06 -1.26 -4.94 119.36 110.23 2ysa n ILE 37 Ca 0.06 -0.39 -0.32 0.00 -2.50 0.00 0.00 62.75 59.60 2ysa n ILE 37 Cb 0.59 0.08 -0.16 0.00 0.54 0.00 0.00 39.64 40.69 2ysa n ILE 37 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2ysa s LYS 38 N -3.05 3.16 0.19 9.51 1.02 -1.26 -5.13 119.74 124.18 2ysa s LYS 38 Ca -0.06 -0.81 0.07 0.00 0.02 0.00 0.00 55.97 55.20 2ysa s LYS 38 Cb 0.10 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.91 2ysa s LYS 38 CO 0.66 0.13 0.03 0.15 -0.92 0.00 0.00 175.35 175.40 2ysa s LYS 39 N 0.49 2.47 -1.13 1.68 -0.14 -1.26 -4.61 119.74 117.24 2ysa s LYS 39 Ca -0.13 -1.13 -0.06 0.00 -1.36 0.00 0.00 55.97 53.29 2ysa s LYS 39 Cb -0.17 -2.37 0.01 0.00 -1.68 0.00 0.00 37.83 33.62 2ysa s LYS 39 CO 0.05 0.44 0.79 0.45 -0.76 0.00 0.00 175.35 176.32 2ysa n SER 40 N -0.34 -5.40 -4.70 2.83 2.88 -1.26 -4.94 113.62 102.70 2ysa n SER 40 Ca -0.09 -0.36 -0.42 0.00 -1.33 0.00 0.00 58.87 56.67 2ysa n SER 40 Cb 0.56 -4.08 -0.03 0.00 -0.75 0.00 0.00 64.21 59.91 2ysa n SER 40 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2ysa s THR 41 N -3.19 3.57 0.00 2.46 2.01 -1.26 -3.80 115.64 115.43 2ysa s THR 41 Ca 0.39 1.01 0.00 0.00 0.31 0.00 0.00 61.69 63.40 2ysa s THR 41 Cb -0.17 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.69 2ysa s THR 41 CO 0.48 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 2ysa n GLY 42 N 3.63 2.03 3.78 4.40 0.00 -1.26 -4.98 105.19 112.78 2ysa n GLY 42 Ca 0.13 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 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 4.49 0.08 -0.61 -5.25 -1.25 -5.04 121.20 113.62 2ysa s ILE 43 Ca 0.00 -0.86 -0.17 0.00 -0.99 0.00 0.00 60.65 58.63 2ysa s ILE 43 Cb 0.00 -3.20 -0.11 0.00 2.95 0.00 0.00 42.46 42.10 2ysa s ILE 43 CO 0.00 0.06 1.39 1.55 -1.79 0.00 0.00 174.94 176.16 2ysa h PRO 44 N 3.07 0.56 -2.53 0.37 0.13 -1.94 -3.44 132.00 128.22 2ysa h PRO 44 Ca -0.47 -0.30 -0.09 0.00 -0.87 0.00 0.00 66.00 64.27 2ysa h PRO 44 Cb 1.17 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 2ysa h PRO 44 CO 0.65 0.88 -0.06 -0.98 -0.23 0.00 0.00 178.00 178.26 2ysa s ARG 45 N -4.35 0.80 0.36 0.86 1.04 -1.26 -4.97 118.95 111.43 2ysa s ARG 45 Ca -0.13 0.18 -0.17 0.00 -1.04 0.00 0.00 55.73 54.57 2ysa s ARG 45 Cb 0.07 0.37 0.05 0.00 -2.04 0.00 0.00 34.95 33.40 2ysa s ARG 45 CO 0.80 -0.21 0.78 -1.12 -0.04 0.00 0.00 175.30 175.50 2ysa s SER 46 N -0.91 -0.06 0.40 -2.89 0.01 -1.26 -5.15 113.70 103.84 2ysa s SER 46 Ca -0.10 -1.02 -0.25 0.00 1.31 0.00 0.00 55.95 55.89 2ysa s SER 46 Cb -0.03 0.82 -0.08 0.00 0.21 0.00 0.00 66.02 66.94 2ysa s SER 46 CO 0.06 -1.61 1.13 0.72 0.41 0.00 0.00 173.24 173.94 2ysa s PHE 47 N -2.67 3.13 -0.23 2.43 -0.71 -1.26 -5.03 117.98 113.64 2ysa s PHE 47 Ca 0.14 1.59 0.02 0.00 -1.04 0.00 0.00 56.93 57.64 2ysa s PHE 47 Cb -0.05 -3.31 0.05 0.00 -1.21 0.00 0.00 43.02 38.49 2ysa s PHE 47 CO 0.10 -1.10 -0.14 -1.64 -1.34 0.00 0.00 175.22 171.10 2ysa s MET 48 N -2.35 2.50 0.29 1.99 -1.94 -1.26 -5.09 119.30 113.44 2ysa s MET 48 Ca 0.57 -1.15 -0.19 0.00 -1.71 0.00 0.00 55.69 53.22 2ysa s MET 48 Cb -0.28 -2.76 0.06 0.00 2.01 0.00 0.00 34.83 33.86 2ysa s MET 48 CO 0.35 -0.44 0.89 0.00 -0.01 0.00 0.00 175.02 175.82 2ysa s MET 49 N 1.18 1.80 0.00 2.03 0.23 -1.26 -5.00 119.30 118.28 2ysa s MET 49 Ca -0.04 -1.15 0.04 0.00 -1.03 0.00 0.00 55.69 53.52 2ysa s MET 49 Cb -0.17 0.51 0.26 0.00 -1.53 0.00 0.00 34.83 33.90 2ysa s MET 49 CO -0.08 -0.84 1.07 -0.85 -2.03 0.00 0.00 175.02 172.29 2ysa n GLU 50 N -0.59 0.90 -1.58 3.16 0.28 -1.26 -4.89 120.64 116.65 2ysa n GLU 50 Ca -0.06 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.53 2ysa n GLU 50 Cb 0.60 -1.08 0.02 0.00 1.43 0.00 0.00 31.44 32.41 2ysa n GLU 50 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2ysa n VAL 51 N -0.58 2.53 -1.35 3.84 3.14 -1.26 -4.96 118.33 119.70 2ysa n VAL 51 Ca 0.03 -0.50 -0.29 0.00 -2.96 0.00 0.00 64.34 60.62 2ysa n VAL 51 Cb 0.01 -1.05 0.14 0.00 -1.06 0.00 0.00 33.84 31.89 2ysa n VAL 51 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2ysa s LYS 52 N -2.07 1.12 -0.29 1.45 2.20 -1.26 -4.98 119.74 115.91 2ysa s LYS 52 Ca 0.65 0.55 -0.29 0.00 -0.36 0.00 0.00 55.97 56.53 2ysa s LYS 52 Cb -0.53 -1.81 0.01 0.00 -1.51 0.00 0.00 37.83 33.98 2ysa s LYS 52 CO 0.55 -2.27 1.05 -0.51 -0.36 0.00 0.00 175.35 173.82 2ysa s ASP 53 N -3.68 6.96 -0.02 1.43 1.01 -1.26 -4.94 116.67 116.17 2ysa s ASP 53 Ca 0.64 1.12 -0.26 0.00 0.71 0.00 0.00 52.55 54.76 2ysa s ASP 53 Cb -0.17 -2.54 -0.20 0.00 1.01 0.00 0.00 42.92 41.03 2ysa s ASP 53 CO 0.56 -0.81 1.27 1.55 0.21 0.00 0.00 175.17 177.95 2ysa h PRO 54 N 7.91 0.01 -0.03 8.23 0.13 -2.05 -3.57 132.00 142.63 2ysa h PRO 54 Ca -0.20 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2ysa h PRO 54 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2ysa h PRO 54 CO 1.01 0.49 0.00 0.27 -0.23 0.00 0.00 178.00 179.54