#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 5.20 0.00 1.61 1.04 -1.26 -5.10 113.70 115.19 2ysa s SER 2 Ca 0.00 0.11 -0.22 0.00 0.48 0.00 0.00 55.95 56.32 2ysa s SER 2 Cb 0.00 -1.44 -0.05 0.00 0.10 0.00 0.00 66.02 64.63 2ysa s SER 2 CO 0.00 0.36 0.63 -0.44 0.98 0.00 0.00 173.24 174.77 2ysa s SER 3 N -1.03 7.02 0.00 7.02 0.01 -1.26 -4.88 113.70 120.58 2ysa s SER 3 Ca 0.15 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.62 2ysa s SER 3 Cb -0.11 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2ysa s SER 3 CO 0.04 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.37 2ysa n GLY 4 N 2.47 -0.41 0.13 3.44 0.00 -1.26 -4.97 105.19 104.60 2ysa n GLY 4 Ca -0.06 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 2ysa n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ysa n SER 5 N 0.00 1.97 -4.64 1.61 3.41 -1.26 -4.94 113.62 109.77 2ysa n SER 5 Ca 0.00 0.26 -0.47 0.00 -0.26 0.00 0.00 58.87 58.41 2ysa n SER 5 Cb 0.00 -0.82 -0.03 0.00 -0.26 0.00 0.00 64.21 63.10 2ysa n SER 5 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2ysa n SER 6 N -3.97 2.27 0.00 4.04 2.88 -1.26 -4.88 113.62 112.70 2ysa n SER 6 Ca -0.40 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 2ysa n SER 6 Cb 0.87 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 2ysa n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ysa n GLY 7 N 2.23 4.45 3.11 0.46 0.00 -1.26 -4.93 105.19 109.24 2ysa n GLY 7 Ca 0.13 -1.22 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 2ysa n GLY 7 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2ysa n TYR 8 N -1.86 -2.39 -3.54 1.61 0.18 -1.26 -5.05 117.16 104.85 2ysa n TYR 8 Ca 0.00 -0.12 -0.12 0.00 1.88 0.00 0.00 57.90 59.54 2ysa n TYR 8 Cb 0.00 -1.42 -0.05 0.00 -0.38 0.00 0.00 39.34 37.50 2ysa n TYR 8 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2ysa s THR 9 N -2.12 0.00 -0.25 -3.48 2.01 -1.26 -4.82 115.64 105.72 2ysa s THR 9 Ca 0.46 0.00 -0.33 0.00 0.31 0.00 0.00 61.69 62.12 2ysa s THR 9 Cb -0.08 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.33 2ysa s THR 9 CO 0.44 0.00 2.11 0.00 -0.69 0.00 0.00 174.62 176.48 2ysa n PHE 11 N 9.38 0.00 -0.04 0.00 7.35 -1.26 -1.26 117.46 131.63 2ysa n PHE 11 Ca 0.33 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.99 2ysa n PHE 11 Cb 0.30 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.12 2ysa n PHE 11 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2ysa n ARG 12 N -0.58 0.25 -0.10 -4.13 0.63 -1.26 -4.78 116.66 106.69 2ysa n ARG 12 Ca 0.03 0.30 -0.10 0.00 -0.92 0.00 0.00 57.85 57.17 2ysa n ARG 12 Cb 0.02 -1.16 -0.15 0.00 0.45 0.00 0.00 32.46 31.62 2ysa n ARG 12 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2ysa n GLY 14 N 1.87 1.14 3.07 0.00 0.00 -0.39 -5.09 105.19 105.80 2ysa n GLY 14 Ca -0.32 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 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 1.82 0.54 1.61 -0.14 -1.24 -4.87 119.74 117.33 2ysa s LYS 15 Ca 0.00 -0.50 -0.09 0.00 -1.36 0.00 0.00 55.97 54.01 2ysa s LYS 15 Cb 0.00 -1.50 0.13 0.00 -1.68 0.00 0.00 37.83 34.78 2ysa s LYS 15 CO 0.00 0.10 0.48 -0.35 -0.76 0.00 0.00 175.35 174.82 2ysa n PRO 16 N 3.58 -1.97 0.00 -1.68 -0.04 -1.26 -2.34 135.00 131.29 2ysa n PRO 16 Ca -0.21 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 2ysa n PRO 16 Cb 0.52 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 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 -0.74 1.84 3.27 0.55 0.00 -1.26 -4.84 105.19 104.01 2ysa n GLY 17 Ca 0.07 -0.08 -0.15 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 -0.28 1.34 0.23 1.61 -3.43 -1.26 -5.10 115.29 108.40 2ysa s HIS 18 Ca 0.00 -0.96 0.07 0.00 -0.80 0.00 0.00 55.06 53.37 2ysa s HIS 18 Cb 0.00 -0.76 -0.04 0.00 -1.43 0.00 0.00 32.58 30.35 2ysa s HIS 18 CO 0.00 -0.12 0.18 1.52 -2.00 0.00 0.00 174.74 174.31 2ysa s TYR 19 N -3.54 3.10 0.43 0.38 1.13 -1.26 -2.78 117.35 114.80 2ysa s TYR 19 Ca 0.25 -0.10 0.23 0.00 -1.41 0.00 0.00 57.07 56.04 2ysa s TYR 19 Cb 0.06 -1.42 1.21 0.00 -1.10 0.00 0.00 41.96 40.71 2ysa s TYR 19 CO 0.05 0.52 1.77 0.97 -2.51 0.00 0.00 175.55 176.35 2ysa h ILE 20 N 1.62 0.47 -0.03 -3.49 2.10 -1.88 0.85 117.51 117.16 2ysa h ILE 20 Ca -0.48 -0.10 -0.15 0.00 1.08 0.00 0.00 64.86 65.21 2ysa h ILE 20 Cb 1.23 0.15 -0.01 0.00 -1.09 0.00 0.00 36.82 37.10 2ysa h ILE 20 CO 0.61 0.05 -0.66 0.11 -1.08 0.00 0.00 178.15 177.18 2ysa h LYS 21 N 0.29 0.13 -0.48 2.19 1.57 -2.00 -3.04 116.57 115.24 2ysa h LYS 21 Ca 0.61 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2ysa h LYS 21 Cb 1.73 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.06 2ysa h LYS 21 CO -0.25 0.75 0.00 -1.71 -0.57 0.00 0.00 179.45 177.66 2ysa n ASN 22 N -3.80 4.72 -4.71 0.86 5.15 0.24 -4.98 115.26 112.73 2ysa n ASN 22 Ca -0.02 -2.77 -0.42 0.00 -0.60 0.00 0.00 54.58 50.77 2ysa n ASN 22 Cb 0.66 -0.58 -0.03 0.00 -0.53 0.00 0.00 39.78 39.29 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 6.85 0.00 -0.80 0.00 0.13 -1.91 -2.82 132.00 133.45 2ysa h PRO 24 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2ysa h PRO 24 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ysa h PRO 24 CO 0.85 0.02 0.00 0.25 -0.23 0.00 0.00 178.00 178.89 2ysa n THR 25 N -3.12 0.09 1.45 1.56 -2.24 -1.26 -3.97 114.28 106.79 2ysa n THR 25 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2ysa n THR 25 Cb 0.30 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 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 -0.06 0.00 0.00 3.42 5.03 -1.07 -4.23 115.26 118.35 2ysa n ASN 26 Ca 0.01 -1.44 0.00 0.00 0.87 0.00 0.00 54.58 54.02 2ysa n ASN 26 Cb 0.23 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.99 2ysa n ASN 26 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ysa n GLY 27 N 0.22 0.00 0.12 7.41 0.00 -1.25 -5.04 105.19 106.66 2ysa n GLY 27 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 2ysa n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ysa n ASP 28 N 0.00 0.97 -3.28 1.61 8.00 -1.26 -4.98 116.55 117.61 2ysa n ASP 28 Ca 0.00 -0.99 -0.23 0.00 0.71 0.00 0.00 54.79 54.28 2ysa n ASP 28 Cb 0.00 0.80 0.01 0.00 -0.02 0.00 0.00 41.12 41.91 2ysa n ASP 28 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2ysa n LYS 29 N -0.89 -3.82 -0.04 -1.24 5.02 -1.26 -4.82 118.16 111.12 2ysa n LYS 29 Ca 0.04 0.59 -0.05 0.00 -2.02 0.00 0.00 58.31 56.86 2ysa n LYS 29 Cb 0.25 -5.34 -0.04 0.00 -0.02 0.00 0.00 35.03 29.88 2ysa n LYS 29 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2ysa n ASN 30 N -2.36 3.32 -4.65 4.39 2.85 -1.26 -4.97 115.26 112.58 2ysa n ASN 30 Ca -0.04 -0.04 -0.42 0.00 -0.11 0.00 0.00 54.58 53.98 2ysa n ASN 30 Cb 0.56 0.04 -0.04 0.00 1.24 0.00 0.00 39.78 41.58 2ysa n ASN 30 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 2ysa s PHE 31 N -2.17 3.34 0.51 1.20 -0.71 -1.26 -5.03 117.98 113.86 2ysa s PHE 31 Ca -0.10 1.16 -0.22 0.00 -1.04 0.00 0.00 56.93 56.74 2ysa s PHE 31 Cb 0.03 -3.04 -0.06 0.00 -1.21 0.00 0.00 43.02 38.74 2ysa s PHE 31 CO 0.22 -0.36 1.22 -2.00 -1.34 0.00 0.00 175.22 172.97 2ysa s GLU 32 N 2.65 3.42 -0.13 1.99 2.12 -1.26 -4.96 118.70 122.52 2ysa s GLU 32 Ca 0.36 1.90 0.04 0.00 0.36 0.00 0.00 54.97 57.63 2ysa s GLU 32 Cb -0.16 -2.25 -0.10 0.00 0.26 0.00 0.00 34.13 31.88 2ysa s GLU 32 CO 0.09 -0.87 -0.07 0.43 -0.54 0.00 0.00 175.26 174.30 2ysa n SER 33 N -0.89 2.73 0.00 -1.70 7.64 -1.26 -4.99 113.62 115.15 2ysa n SER 33 Ca 0.10 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2ysa n SER 33 Cb 0.48 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2ysa n SER 33 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ysa n GLY 34 N 2.67 -2.91 3.77 0.23 0.00 -1.26 -4.89 105.19 102.80 2ysa n GLY 34 Ca -0.22 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 3.77 -0.12 1.61 0.04 -1.26 -5.06 135.00 133.99 2ysa s PRO 35 Ca 0.00 1.78 -0.06 0.00 0.04 0.00 0.00 61.00 62.76 2ysa s PRO 35 Cb 0.00 -2.42 0.05 0.00 0.04 0.00 0.00 34.50 32.17 2ysa s PRO 35 CO 0.00 -0.54 0.28 -0.98 0.04 0.00 0.00 177.00 175.80 2ysa s ARG 36 N -2.67 0.24 0.08 4.56 1.70 -1.26 -5.01 118.95 116.58 2ysa s ARG 36 Ca 0.63 0.59 -0.17 0.00 -0.47 0.00 0.00 55.73 56.31 2ysa s ARG 36 Cb -0.29 -0.10 -0.07 0.00 -0.57 0.00 0.00 34.95 33.93 2ysa s ARG 36 CO 0.35 -0.17 0.54 -1.50 -1.08 0.00 0.00 175.30 173.44 2ysa s ILE 37 N 1.35 4.81 0.61 4.99 2.07 -1.26 -5.08 121.20 128.68 2ysa s ILE 37 Ca -0.09 1.07 -0.07 0.00 -1.41 0.00 0.00 60.65 60.14 2ysa s ILE 37 Cb -0.10 -3.83 0.00 0.00 0.13 0.00 0.00 42.46 38.66 2ysa s ILE 37 CO -0.09 0.49 0.94 -0.54 -1.91 0.00 0.00 174.94 173.83 2ysa s LYS 38 N -1.30 3.02 -0.27 3.50 -0.14 -1.26 -5.10 119.74 118.20 2ysa s LYS 38 Ca 0.30 0.18 -0.09 0.00 -1.36 0.00 0.00 55.97 54.99 2ysa s LYS 38 Cb -0.18 -2.21 0.11 0.00 -1.68 0.00 0.00 37.83 33.87 2ysa s LYS 38 CO 0.18 -0.71 0.58 0.21 -0.76 0.00 0.00 175.35 174.85 2ysa s LYS 39 N -5.06 0.51 -0.21 1.68 2.20 -1.26 -5.14 119.74 112.46 2ysa s LYS 39 Ca 0.54 1.31 -0.17 0.00 -0.36 0.00 0.00 55.97 57.30 2ysa s LYS 39 Cb -0.11 0.67 -0.04 0.00 -1.51 0.00 0.00 37.83 36.84 2ysa s LYS 39 CO 0.47 -0.21 0.43 0.45 -0.36 0.00 0.00 175.35 176.14 2ysa s SER 40 N 2.72 6.46 0.27 1.43 0.15 -1.26 -5.06 113.70 118.41 2ysa s SER 40 Ca -0.05 0.54 0.02 0.00 0.70 0.00 0.00 55.95 57.16 2ysa s SER 40 Cb -0.12 -2.25 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 2ysa s SER 40 CO -0.17 -0.12 0.25 0.42 1.20 0.00 0.00 173.24 174.81 2ysa s THR 41 N 1.50 0.00 0.05 6.45 -4.23 -1.26 -5.09 115.64 113.06 2ysa s THR 41 Ca 0.20 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 2ysa s THR 41 Cb -0.15 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2ysa s THR 41 CO 0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 2ysa n GLY 42 N -0.46 -4.19 3.81 3.99 0.00 -1.26 -4.99 105.19 102.09 2ysa n GLY 42 Ca 0.04 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.21 4.07 0.03 -0.61 -5.25 -1.26 -4.99 121.20 112.97 2ysa s ILE 43 Ca 0.00 1.13 -0.21 0.00 -0.99 0.00 0.00 60.65 60.58 2ysa s ILE 43 Cb 0.00 -3.52 -0.16 0.00 2.95 0.00 0.00 42.46 41.73 2ysa s ILE 43 CO 0.00 -0.43 1.33 1.55 -1.79 0.00 0.00 174.94 175.60 2ysa h PRO 44 N 1.17 0.29 -2.20 0.37 0.13 -2.06 -3.45 132.00 126.25 2ysa h PRO 44 Ca -0.48 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2ysa h PRO 44 Cb 1.20 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 2ysa h PRO 44 CO 0.59 0.70 -0.17 -0.98 -0.23 0.00 0.00 178.00 177.92 2ysa s ARG 45 N -4.28 0.53 -0.19 0.86 1.70 -1.26 -5.11 118.95 111.20 2ysa s ARG 45 Ca -0.14 1.22 -0.30 0.00 -0.47 0.00 0.00 55.73 56.03 2ysa s ARG 45 Cb 0.04 0.45 -0.08 0.00 -0.57 0.00 0.00 34.95 34.80 2ysa s ARG 45 CO 0.74 -0.19 2.14 -1.13 -1.08 0.00 0.00 175.30 175.77 2ysa n SER 46 N 5.00 3.22 -1.39 -2.89 3.41 -1.26 -4.82 113.62 114.88 2ysa n SER 46 Ca -0.15 0.44 0.07 0.00 -0.26 0.00 0.00 58.87 58.98 2ysa n SER 46 Cb 0.52 -1.47 0.30 0.00 -0.26 0.00 0.00 64.21 63.30 2ysa n SER 46 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 2ysa n PHE 47 N 10.10 1.30 -1.66 7.33 7.35 -1.26 -4.96 117.46 135.66 2ysa n PHE 47 Ca 0.30 -0.50 -0.32 0.00 -0.76 0.00 0.00 57.45 56.16 2ysa n PHE 47 Cb 0.38 -0.25 0.05 0.00 0.35 0.00 0.00 39.48 40.02 2ysa n PHE 47 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 2ysa s MET 48 N -1.89 2.76 -0.07 -4.13 1.75 -1.26 -5.06 119.30 111.39 2ysa s MET 48 Ca 0.42 1.26 0.01 0.00 -1.25 0.00 0.00 55.69 56.13 2ysa s MET 48 Cb 0.28 -1.95 0.02 0.00 2.84 0.00 0.00 34.83 36.01 2ysa s MET 48 CO 0.19 -1.26 -0.08 1.41 -0.65 0.00 0.00 175.02 174.62 2ysa s MET 49 N -4.40 1.37 -0.06 4.11 1.75 -1.26 -5.00 119.30 115.81 2ysa s MET 49 Ca 0.64 -0.27 0.05 0.00 -1.25 0.00 0.00 55.69 54.86 2ysa s MET 49 Cb -0.18 -1.27 0.26 0.00 2.84 0.00 0.00 34.83 36.47 2ysa s MET 49 CO 0.46 -0.09 0.96 -0.85 -0.65 0.00 0.00 175.02 174.85 2ysa n GLU 50 N 4.21 2.14 -1.81 4.11 0.00 -1.26 -4.91 120.64 123.12 2ysa n GLU 50 Ca -0.20 -1.00 -0.42 0.00 0.00 0.00 0.00 57.16 55.54 2ysa n GLU 50 Cb 0.51 -1.64 -0.03 0.00 0.00 0.00 0.00 31.44 30.28 2ysa n GLU 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2ysa s VAL 51 N -1.60 2.65 0.04 3.84 0.11 -1.26 -5.00 120.40 119.19 2ysa s VAL 51 Ca 0.17 0.22 0.06 0.00 -2.93 0.00 0.00 61.98 59.51 2ysa s VAL 51 Cb 0.13 -3.14 -0.02 0.00 -1.53 0.00 0.00 36.38 31.81 2ysa s VAL 51 CO 0.06 0.00 -0.17 -0.54 -3.33 0.00 0.00 175.10 171.12 2ysa s LYS 52 N 2.40 1.18 -0.13 1.54 -0.14 -1.26 -5.14 119.74 118.18 2ysa s LYS 52 Ca 0.77 -0.84 -0.11 0.00 -1.36 0.00 0.00 55.97 54.43 2ysa s LYS 52 Cb -0.44 -1.24 -0.05 0.00 -1.68 0.00 0.00 37.83 34.43 2ysa s LYS 52 CO 0.34 0.31 0.22 0.16 -0.76 0.00 0.00 175.35 175.62 2ysa s ASP 53 N -1.12 6.42 -0.02 2.83 -4.77 -1.26 -5.01 116.67 113.74 2ysa s ASP 53 Ca 0.05 0.49 -0.26 0.00 -3.30 0.00 0.00 52.55 49.53 2ysa s ASP 53 Cb -0.08 -2.13 -0.20 0.00 -1.09 0.00 0.00 42.92 39.41 2ysa s ASP 53 CO 0.01 0.25 1.25 1.55 0.70 0.00 0.00 175.17 178.94 2ysa h PRO 54 N 5.85 -0.02 0.00 2.11 0.13 -2.05 -3.57 132.00 134.44 2ysa h PRO 54 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2ysa h PRO 54 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ysa h PRO 54 CO 0.68 0.45 0.00 0.27 -0.23 0.00 0.00 178.00 179.18