#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 4.48 -4.69 1.61 2.88 -1.26 -4.98 113.62 111.66 2ysa n SER 2 Ca 0.00 -2.57 -0.42 0.00 -1.33 0.00 0.00 58.87 54.55 2ysa n SER 2 Cb 0.00 -0.54 -0.03 0.00 -0.75 0.00 0.00 64.21 62.89 2ysa n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ysa s SER 3 N -1.12 6.70 0.00 -3.46 0.01 -1.26 -4.20 113.70 110.37 2ysa s SER 3 Ca 0.46 2.36 0.00 0.00 1.31 0.00 0.00 55.95 60.08 2ysa s SER 3 Cb 0.32 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2ysa s SER 3 CO 0.19 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.64 2ysa n GLY 4 N 3.82 0.78 3.77 3.44 0.00 -1.26 -5.09 105.19 110.65 2ysa n GLY 4 Ca 0.14 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 2ysa n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ysa s SER 5 N -1.55 5.92 -0.02 1.61 1.04 -1.26 -4.98 113.70 114.46 2ysa s SER 5 Ca 0.00 2.27 -0.30 0.00 0.48 0.00 0.00 55.95 58.40 2ysa s SER 5 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 2ysa s SER 5 CO 0.00 -1.09 1.14 -0.44 0.98 0.00 0.00 173.24 173.83 2ysa s SER 6 N -1.53 7.14 0.07 7.02 0.01 -1.26 -4.73 113.70 120.42 2ysa s SER 6 Ca 0.68 1.80 0.00 0.00 1.31 0.00 0.00 55.95 59.75 2ysa s SER 6 Cb -0.27 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.39 2ysa s SER 6 CO 0.32 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2ysa n GLY 7 N 3.21 0.95 3.71 3.44 0.00 -1.26 -5.01 105.19 110.23 2ysa n GLY 7 Ca 0.09 -1.36 -0.05 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.18 0.01 1.61 -0.85 -1.26 -5.19 117.35 111.49 2ysa s TYR 8 Ca 0.00 -0.10 -0.14 0.00 -0.52 0.00 0.00 57.07 56.30 2ysa s TYR 8 Cb 0.00 0.63 0.02 0.00 0.38 0.00 0.00 41.96 42.99 2ysa s TYR 8 CO 0.00 -0.81 0.31 0.99 -1.52 0.00 0.00 175.55 174.51 2ysa s THR 9 N -3.32 0.07 -0.23 -3.49 2.01 -1.26 -4.74 115.64 104.67 2ysa s THR 9 Ca 0.11 -0.56 -0.33 0.00 0.31 0.00 0.00 61.69 61.21 2ysa s THR 9 Cb -0.02 -0.75 -0.10 0.00 0.01 0.00 0.00 72.50 71.64 2ysa s THR 9 CO 0.00 -0.31 2.08 0.00 -0.69 0.00 0.00 174.62 175.71 2ysa n PHE 11 N 9.08 0.00 -0.02 0.00 7.35 -1.26 -1.08 117.46 131.52 2ysa n PHE 11 Ca 0.32 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 57.00 2ysa n PHE 11 Cb 0.29 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.12 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 -1.90 -3.43 114.38 107.35 2ysa h ARG 12 Ca 0.00 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.79 2ysa h ARG 12 Cb 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.48 2ysa h ARG 12 CO 0.00 0.00 -2.41 0.00 -1.51 0.00 0.00 179.97 176.05 2ysa n GLY 14 N 1.92 0.94 3.07 0.00 0.00 -0.24 -5.02 105.19 105.86 2ysa n GLY 14 Ca -0.37 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 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 0.12 1.48 0.79 1.61 -0.14 -1.24 -4.89 119.74 117.47 2ysa s LYS 15 Ca 0.00 -0.47 -0.13 0.00 -1.36 0.00 0.00 55.97 54.01 2ysa s LYS 15 Cb 0.00 -1.30 0.20 0.00 -1.68 0.00 0.00 37.83 35.05 2ysa s LYS 15 CO 0.00 0.16 0.70 -0.35 -0.76 0.00 0.00 175.35 175.10 2ysa n PRO 16 N 3.31 -2.39 0.00 -1.68 -0.04 -1.26 -2.43 135.00 130.51 2ysa n PRO 16 Ca -0.19 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 2ysa n PRO 16 Cb 0.53 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 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 -2.18 1.83 3.36 0.55 0.00 -1.26 -4.86 105.19 102.63 2ysa n GLY 17 Ca 0.10 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.27 1.63 0.44 1.61 -3.43 -1.26 -5.10 115.29 108.92 2ysa s HIS 18 Ca 0.00 -1.21 0.06 0.00 -0.80 0.00 0.00 55.06 53.11 2ysa s HIS 18 Cb 0.00 -0.96 -0.04 0.00 -1.43 0.00 0.00 32.58 30.15 2ysa s HIS 18 CO 0.00 -0.34 0.13 1.52 -2.00 0.00 0.00 174.74 174.04 2ysa s TYR 19 N -3.61 2.36 0.61 0.38 1.13 -1.26 -2.43 117.35 114.52 2ysa s TYR 19 Ca 0.36 -0.70 0.32 0.00 -1.41 0.00 0.00 57.07 55.64 2ysa s TYR 19 Cb 0.07 -1.85 1.86 0.00 -1.10 0.00 0.00 41.96 40.94 2ysa s TYR 19 CO 0.15 0.20 2.21 0.97 -2.51 0.00 0.00 175.55 176.57 2ysa h ILE 20 N 1.44 0.40 0.14 -3.49 2.10 -1.88 0.55 117.51 116.78 2ysa h ILE 20 Ca -0.43 0.00 -0.31 0.00 1.08 0.00 0.00 64.86 65.20 2ysa h ILE 20 Cb 1.26 0.93 0.00 0.00 -1.09 0.00 0.00 36.82 37.93 2ysa h ILE 20 CO 0.73 0.00 -1.50 0.11 -1.08 0.00 0.00 178.15 176.40 2ysa h LYS 21 N 0.00 0.31 -0.56 2.19 1.79 -2.00 -3.31 116.57 114.98 2ysa h LYS 21 Ca 0.03 -0.52 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2ysa h LYS 21 Cb 0.19 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2ysa h LYS 21 CO -0.00 1.20 0.00 -1.71 -1.08 0.00 0.00 179.45 177.86 2ysa n ASN 22 N -3.51 5.15 -4.74 0.86 5.15 -0.49 -4.98 115.26 112.70 2ysa n ASN 22 Ca -0.16 -2.75 -0.41 0.00 -0.60 0.00 0.00 54.58 50.65 2ysa n ASN 22 Cb 1.05 -0.62 -0.03 0.00 -0.53 0.00 0.00 39.78 39.65 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 5.39 0.28 -0.95 0.00 0.13 -1.94 -3.20 132.00 131.71 2ysa h PRO 24 Ca -0.45 -0.15 0.39 0.00 -0.87 0.00 0.00 66.00 64.92 2ysa h PRO 24 Cb 1.21 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.19 2ysa h PRO 24 CO 0.78 0.69 0.53 0.25 -0.23 0.00 0.00 178.00 180.02 2ysa n THR 25 N -4.62 -0.36 -0.25 1.56 -2.24 -1.26 -1.05 114.28 106.05 2ysa n THR 25 Ca -0.07 1.82 -0.07 0.00 -2.27 0.00 0.00 64.05 63.47 2ysa n THR 25 Cb 0.34 -2.96 -0.06 0.00 -2.10 0.00 0.00 70.33 65.54 2ysa n THR 25 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ysa n ASN 26 N -4.99 -0.64 -1.83 3.42 3.02 -1.21 0.97 115.26 114.00 2ysa n ASN 26 Ca 0.35 1.31 -0.13 0.00 -0.03 0.00 0.00 54.58 56.08 2ysa n ASN 26 Cb 1.21 -0.26 0.02 0.00 -0.61 0.00 0.00 39.78 40.13 2ysa n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ysa n GLY 27 N -1.15 3.66 3.29 7.41 0.00 -0.22 -4.86 105.19 113.33 2ysa n GLY 27 Ca 0.01 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 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 0.73 1.33 0.03 1.61 1.11 0.27 -5.13 116.67 116.62 2ysa s ASP 28 Ca 0.26 -1.66 -0.25 0.00 0.18 0.00 0.00 52.55 51.07 2ysa s ASP 28 Cb 0.19 0.54 0.06 0.00 1.07 0.00 0.00 42.92 44.78 2ysa s ASP 28 CO -0.02 -1.05 0.57 -1.59 1.18 0.00 0.00 175.17 174.27 2ysa s LYS 29 N -3.54 1.06 -1.12 8.23 0.00 -1.26 -4.95 119.74 118.16 2ysa s LYS 29 Ca 0.39 -0.10 -0.05 0.00 0.00 0.00 0.00 55.97 56.21 2ysa s LYS 29 Cb 0.03 0.49 0.01 0.00 0.00 0.00 0.00 37.83 38.36 2ysa s LYS 29 CO 0.24 -0.38 0.96 0.09 0.00 0.00 0.00 175.35 176.27 2ysa n ASN 30 N 0.50 -4.58 -5.01 0.03 4.13 -1.26 -5.02 115.26 104.04 2ysa n ASN 30 Ca -0.18 -0.48 -0.19 0.00 1.68 0.00 0.00 54.58 55.40 2ysa n ASN 30 Cb 0.60 -4.39 0.06 0.00 -1.54 0.00 0.00 39.78 34.50 2ysa n ASN 30 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2ysa s PHE 31 N -3.28 1.61 0.35 3.10 -0.71 -1.26 -5.14 117.98 112.65 2ysa s PHE 31 Ca 0.34 -0.65 -0.13 0.00 -1.04 0.00 0.00 56.93 55.44 2ysa s PHE 31 Cb -0.15 -2.27 0.03 0.00 -1.21 0.00 0.00 43.02 39.42 2ysa s PHE 31 CO 0.62 -1.08 0.68 -1.21 -1.34 0.00 0.00 175.22 172.89 2ysa s GLU 32 N -4.65 2.04 -0.01 1.99 2.02 -1.26 -5.07 118.70 113.75 2ysa s GLU 32 Ca 0.61 -1.42 -0.25 0.00 0.02 0.00 0.00 54.97 53.93 2ysa s GLU 32 Cb -0.06 0.57 -0.19 0.00 0.10 0.00 0.00 34.13 34.55 2ysa s GLU 32 CO 0.38 -0.92 1.24 1.03 0.02 0.00 0.00 175.26 177.01 2ysa h SER 33 N 2.05 -0.09 -2.49 -0.19 0.87 -2.01 -3.43 113.55 108.26 2ysa h SER 33 Ca -0.29 -0.38 -0.53 0.00 -1.23 0.00 0.00 61.79 59.36 2ysa h SER 33 Cb 1.25 0.02 0.02 0.00 -0.44 0.00 0.00 62.40 63.25 2ysa h SER 33 CO 0.37 0.35 1.15 -0.83 -0.53 0.00 0.00 176.83 177.34 2ysa s GLY 34 N -3.04 1.45 0.60 5.77 0.00 -1.26 -4.99 107.32 105.85 2ysa s GLY 34 Ca -0.15 1.29 -0.10 0.00 0.00 0.00 0.00 44.72 45.76 2ysa s GLY 34 CO 0.62 3.24 0.53 -1.55 0.00 0.00 0.00 173.10 175.95 2ysa n PRO 35 N 6.71 -2.07 -0.31 2.90 -0.04 -1.26 -4.99 135.00 135.94 2ysa n PRO 35 Ca 0.18 -0.85 0.08 0.00 -0.04 0.00 0.00 63.50 62.87 2ysa n PRO 35 Cb 0.40 -0.80 0.21 0.00 -0.04 0.00 0.00 33.50 33.27 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 -3.14 2.62 -2.90 0.54 0.63 -1.26 -4.95 116.66 108.19 2ysa n ARG 36 Ca 0.07 -2.61 -0.09 0.00 -0.92 0.00 0.00 57.85 54.31 2ysa n ARG 36 Cb 0.29 -1.65 -0.02 0.00 0.45 0.00 0.00 32.46 31.53 2ysa n ARG 36 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 2ysa n ILE 37 N -0.52 -0.05 -0.22 5.15 0.13 -1.26 -4.76 119.36 117.83 2ysa n ILE 37 Ca 0.18 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.83 2ysa n ILE 37 Cb 0.74 -0.21 0.11 0.00 -0.84 0.00 0.00 39.64 39.45 2ysa n ILE 37 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 2ysa h LYS 38 N -0.19 0.50 -7.26 9.51 3.64 -2.03 -3.42 116.57 117.32 2ysa h LYS 38 Ca -0.13 -0.03 -0.42 0.00 -1.27 0.00 0.00 60.65 58.80 2ysa h LYS 38 Cb 1.09 -0.11 0.19 0.00 -0.41 0.00 0.00 32.23 32.99 2ysa h LYS 38 CO 0.19 0.33 0.06 -1.59 -2.27 0.00 0.00 179.45 176.18 2ysa s LYS 39 N -6.08 -1.26 0.47 1.90 -2.85 -1.26 -5.07 119.74 105.58 2ysa s LYS 39 Ca -0.13 0.25 0.04 0.00 -1.00 0.00 0.00 55.97 55.14 2ysa s LYS 39 Cb 0.17 -1.56 -0.03 0.00 -2.06 0.00 0.00 37.83 34.34 2ysa s LYS 39 CO 0.75 -3.81 0.06 0.45 0.10 0.00 0.00 175.35 172.91 2ysa s SER 40 N -3.38 4.13 -0.04 0.03 0.15 -1.26 -5.13 113.70 108.21 2ysa s SER 40 Ca 0.69 -1.46 -0.18 0.00 0.70 0.00 0.00 55.95 55.69 2ysa s SER 40 Cb -0.15 0.11 -0.05 0.00 -1.71 0.00 0.00 66.02 64.21 2ysa s SER 40 CO 0.58 -0.71 0.50 0.42 1.20 0.00 0.00 173.24 175.23 2ysa s THR 41 N -2.78 5.02 0.00 6.45 -4.23 -1.26 -4.97 115.64 113.87 2ysa s THR 41 Ca 0.22 1.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.76 2ysa s THR 41 Cb 0.04 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.05 2ysa s THR 41 CO 0.12 0.44 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 2ysa n GLY 42 N 2.52 3.41 3.76 3.99 0.00 -1.26 -5.08 105.19 112.54 2ysa n GLY 42 Ca -0.09 -1.72 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.85 2.80 0.00 -0.61 -5.25 -1.26 -5.03 121.20 110.00 2ysa s ILE 43 Ca 0.00 0.57 0.00 0.00 -0.99 0.00 0.00 60.65 60.23 2ysa s ILE 43 Cb 0.00 -3.27 0.00 0.00 2.95 0.00 0.00 42.46 42.14 2ysa s ILE 43 CO 0.00 -0.04 0.00 -0.81 -1.79 0.00 0.00 174.94 172.30 2ysa n PRO 44 N -0.90 -0.58 -0.30 0.37 -0.04 -1.26 -4.81 135.00 127.48 2ysa n PRO 44 Ca 0.10 0.00 0.25 0.00 -0.04 0.00 0.00 63.50 63.81 2ysa n PRO 44 Cb 0.48 0.00 0.47 0.00 -0.04 0.00 0.00 33.50 34.41 2ysa n PRO 44 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2ysa n ARG 45 N -1.18 -0.06 -3.34 0.54 1.85 -1.26 -4.74 116.66 108.47 2ysa n ARG 45 Ca 0.00 1.30 -0.24 0.00 -1.00 0.00 0.00 57.85 57.91 2ysa n ARG 45 Cb 0.00 -2.26 0.01 0.00 -1.05 0.00 0.00 32.46 29.16 2ysa n ARG 45 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2ysa n SER 46 N -5.16 -4.38 -3.41 2.89 3.41 -1.26 -4.91 113.62 100.80 2ysa n SER 46 Ca 0.31 -0.41 -0.08 0.00 -0.26 0.00 0.00 58.87 58.44 2ysa n SER 46 Cb 1.06 -3.59 0.00 0.00 -0.26 0.00 0.00 64.21 61.42 2ysa n SER 46 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2ysa s PHE 47 N -3.02 -0.04 -0.11 7.33 0.08 -1.26 -5.05 117.98 115.91 2ysa s PHE 47 Ca 0.40 -0.52 0.20 0.00 0.12 0.00 0.00 56.93 57.14 2ysa s PHE 47 Cb -0.21 0.77 -0.24 0.00 -0.57 0.00 0.00 43.02 42.77 2ysa s PHE 47 CO 0.50 -1.37 0.53 0.00 -0.10 0.00 0.00 175.22 174.78 2ysa n MET 48 N -0.50 0.65 -4.02 0.44 0.00 -1.26 -4.93 117.12 107.50 2ysa n MET 48 Ca -0.06 -0.05 -0.33 0.00 0.00 0.00 0.00 57.70 57.26 2ysa n MET 48 Cb 0.59 -1.61 -0.06 0.00 0.00 0.00 0.00 33.22 32.14 2ysa n MET 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2ysa s MET 49 N -3.19 3.20 -0.12 3.17 0.23 -1.26 -5.00 119.30 116.32 2ysa s MET 49 Ca -0.07 -0.44 0.16 0.00 -1.03 0.00 0.00 55.69 54.32 2ysa s MET 49 Cb 0.11 -2.94 0.60 0.00 -1.53 0.00 0.00 34.83 31.07 2ysa s MET 49 CO 0.86 0.65 1.51 0.39 -2.03 0.00 0.00 175.02 176.41 2ysa n GLU 50 N 1.03 3.46 -4.52 3.16 1.02 -1.26 -4.96 120.64 118.57 2ysa n GLU 50 Ca -0.12 -2.74 -0.32 0.00 -0.02 0.00 0.00 57.16 53.96 2ysa n GLU 50 Cb 0.53 -1.79 -0.11 0.00 -0.02 0.00 0.00 31.44 30.05 2ysa n GLU 50 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ysa s VAL 51 N -2.00 3.62 0.25 2.62 1.01 -1.26 -5.13 120.40 119.50 2ysa s VAL 51 Ca 0.44 -0.72 0.12 0.00 0.00 0.00 0.00 61.98 61.81 2ysa s VAL 51 Cb 0.30 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 2ysa s VAL 51 CO 0.18 0.44 -0.20 -0.54 0.00 0.00 0.00 175.10 174.99 2ysa s LYS 52 N -1.26 1.67 0.12 2.72 3.01 -1.26 -5.15 119.74 119.59 2ysa s LYS 52 Ca 0.16 -1.65 0.10 0.00 -1.01 0.00 0.00 55.97 53.56 2ysa s LYS 52 Cb -0.11 -1.83 -0.04 0.00 -1.01 0.00 0.00 37.83 34.84 2ysa s LYS 52 CO 0.06 0.36 -0.25 0.16 0.51 0.00 0.00 175.35 176.19 2ysa s ASP 53 N -3.22 3.09 -0.02 2.83 1.47 -1.26 -5.06 116.67 114.50 2ysa s ASP 53 Ca 0.27 -0.74 -0.26 0.00 1.18 0.00 0.00 52.55 53.01 2ysa s ASP 53 Cb -0.06 -0.20 -0.20 0.00 -0.34 0.00 0.00 42.92 42.12 2ysa s ASP 53 CO 0.14 0.14 1.23 1.55 0.68 0.00 0.00 175.17 178.91 2ysa h PRO 54 N 3.90 -0.05 0.00 2.11 0.13 -2.09 -3.57 132.00 132.43 2ysa h PRO 54 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2ysa h PRO 54 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ysa h PRO 54 CO 0.40 0.43 0.00 -1.71 -0.23 0.00 0.00 178.00 176.88