#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 5.30 0.12 1.61 0.15 -1.26 -5.03 113.70 114.59 2ysa s SER 2 Ca 0.00 1.90 -0.10 0.00 0.70 0.00 0.00 55.95 58.44 2ysa s SER 2 Cb 0.00 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.71 2ysa s SER 2 CO 0.00 -1.50 0.45 -0.55 1.20 0.00 0.00 173.24 172.84 2ysa s SER 3 N -2.80 6.67 0.00 5.45 0.15 -1.26 -4.92 113.70 116.99 2ysa s SER 3 Ca 0.65 0.85 0.00 0.00 0.70 0.00 0.00 55.95 58.15 2ysa s SER 3 Cb -0.18 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2ysa s SER 3 CO 0.42 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.59 2ysa n GLY 4 N 0.69 0.54 3.51 9.45 0.00 -1.26 -4.97 105.19 113.15 2ysa n GLY 4 Ca -0.06 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 2ysa n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ysa s SER 5 N -4.00 4.42 0.11 1.61 0.15 -1.26 -5.03 113.70 109.71 2ysa s SER 5 Ca 0.00 -0.13 -0.19 0.00 0.70 0.00 0.00 55.95 56.33 2ysa s SER 5 Cb 0.00 -1.28 -0.06 0.00 -1.71 0.00 0.00 66.02 62.97 2ysa s SER 5 CO 0.00 0.29 1.70 -1.28 1.20 0.00 0.00 173.24 175.15 2ysa h SER 6 N 5.77 0.33 0.00 5.45 0.87 -1.95 -3.49 113.55 120.53 2ysa h SER 6 Ca -0.41 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 2ysa h SER 6 Cb 1.18 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 2ysa h SER 6 CO 0.54 0.35 0.00 0.61 -0.53 0.00 0.00 176.83 177.80 2ysa n GLY 7 N -0.88 -0.54 3.63 5.77 0.00 -1.26 -5.17 105.19 106.73 2ysa n GLY 7 Ca -0.03 0.15 -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 -0.23 0.02 1.61 -0.85 -1.26 -5.19 117.35 111.46 2ysa s TYR 8 Ca 0.00 0.01 -0.07 0.00 -0.52 0.00 0.00 57.07 56.49 2ysa s TYR 8 Cb 0.00 0.59 -0.00 0.00 0.38 0.00 0.00 41.96 42.93 2ysa s TYR 8 CO 0.00 -0.68 0.13 0.99 -1.52 0.00 0.00 175.55 174.47 2ysa s THR 9 N -3.19 0.11 -0.21 -3.49 2.01 -1.26 -4.76 115.64 104.84 2ysa s THR 9 Ca 0.09 -0.88 -0.35 0.00 0.31 0.00 0.00 61.69 60.86 2ysa s THR 9 Cb -0.01 -0.70 -0.12 0.00 0.01 0.00 0.00 72.50 71.68 2ysa s THR 9 CO -0.03 -0.48 1.97 0.00 -0.69 0.00 0.00 174.62 175.38 2ysa n PHE 11 N 7.70 0.00 -0.03 0.00 7.35 -1.26 -1.24 117.46 129.98 2ysa n PHE 11 Ca 0.29 -0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.97 2ysa n PHE 11 Cb 0.25 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.08 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 0.04 0.00 0.00 -4.13 2.43 -1.90 -3.43 114.38 107.38 2ysa h ARG 12 Ca 0.00 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.81 2ysa h ARG 12 Cb 0.01 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.49 2ysa h ARG 12 CO 0.00 0.00 -2.36 0.00 -1.51 0.00 0.00 179.97 176.10 2ysa n GLY 14 N 1.89 1.17 3.05 0.00 0.00 -0.37 -4.96 105.19 105.98 2ysa n GLY 14 Ca -0.35 0.00 -0.25 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 -0.15 1.83 1.06 1.61 -0.14 -1.24 -4.87 119.74 117.83 2ysa s LYS 15 Ca 0.00 -0.48 -0.18 0.00 -1.36 0.00 0.00 55.97 53.96 2ysa s LYS 15 Cb 0.00 -1.50 0.26 0.00 -1.68 0.00 0.00 37.83 34.92 2ysa s LYS 15 CO 0.00 0.06 0.94 -0.35 -0.76 0.00 0.00 175.35 175.24 2ysa n PRO 16 N 3.71 -2.85 0.00 -1.68 -0.04 -1.26 -2.71 135.00 130.16 2ysa n PRO 16 Ca -0.22 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.74 2ysa n PRO 16 Cb 0.52 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 -3.74 2.26 3.28 0.55 0.00 -1.26 -4.87 105.19 101.40 2ysa n GLY 17 Ca 0.13 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.78 1.37 0.24 1.61 -3.43 -1.26 -5.11 115.29 107.93 2ysa s HIS 18 Ca 0.00 -1.01 0.07 0.00 -0.80 0.00 0.00 55.06 53.32 2ysa s HIS 18 Cb 0.00 -0.79 -0.04 0.00 -1.43 0.00 0.00 32.58 30.33 2ysa s HIS 18 CO 0.00 -0.17 0.16 1.52 -2.00 0.00 0.00 174.74 174.25 2ysa s TYR 19 N -3.59 3.07 0.53 0.38 1.13 -1.26 -3.17 117.35 114.43 2ysa s TYR 19 Ca 0.27 -0.11 0.33 0.00 -1.41 0.00 0.00 57.07 56.16 2ysa s TYR 19 Cb 0.06 -1.40 1.48 0.00 -1.10 0.00 0.00 41.96 41.01 2ysa s TYR 19 CO 0.07 0.53 1.84 0.97 -2.51 0.00 0.00 175.55 176.45 2ysa h ILE 20 N 1.66 0.48 0.04 -3.49 2.10 -1.89 0.68 117.51 117.07 2ysa h ILE 20 Ca -0.48 -0.01 -0.22 0.00 1.08 0.00 0.00 64.86 65.22 2ysa h ILE 20 Cb 1.23 0.43 -0.01 0.00 -1.09 0.00 0.00 36.82 37.39 2ysa h ILE 20 CO 0.61 0.01 -1.00 0.11 -1.08 0.00 0.00 178.15 176.80 2ysa h LYS 21 N 0.04 0.22 -0.57 2.19 1.57 -2.01 -3.20 116.57 114.81 2ysa h LYS 21 Ca 0.51 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2ysa h LYS 21 Cb 1.97 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.38 2ysa h LYS 21 CO -0.03 1.05 0.00 -1.71 -0.57 0.00 0.00 179.45 178.19 2ysa n ASN 22 N -3.60 5.21 -4.74 0.86 5.15 0.19 -4.98 115.26 113.36 2ysa n ASN 22 Ca -0.05 -2.76 -0.41 0.00 -0.60 0.00 0.00 54.58 50.75 2ysa n ASN 22 Cb 0.89 -0.63 -0.03 0.00 -0.53 0.00 0.00 39.78 39.47 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 5.35 0.29 -0.70 0.00 0.13 -1.92 -3.22 132.00 131.93 2ysa h PRO 24 Ca -0.45 -0.15 0.29 0.00 -0.87 0.00 0.00 66.00 64.81 2ysa h PRO 24 Cb 1.21 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 2ysa h PRO 24 CO 0.77 0.69 0.39 0.25 -0.23 0.00 0.00 178.00 179.87 2ysa n THR 25 N -4.61 -0.27 -0.25 1.56 -2.24 -1.26 -0.34 114.28 106.88 2ysa n THR 25 Ca -0.06 1.34 0.00 0.00 -2.27 0.00 0.00 64.05 63.06 2ysa n THR 25 Cb 0.34 -2.17 0.04 0.00 -2.10 0.00 0.00 70.33 66.44 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 -4.45 -0.38 -2.35 3.42 3.02 -1.22 0.19 115.26 113.49 2ysa n ASN 26 Ca 0.26 1.14 -0.27 0.00 -0.03 0.00 0.00 54.58 55.68 2ysa n ASN 26 Cb 0.88 -0.28 -0.00 0.00 -0.61 0.00 0.00 39.78 39.77 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 -1.34 4.61 3.81 7.41 0.00 0.54 -4.92 105.19 115.30 2ysa n GLY 27 Ca 0.08 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 2ysa n GLY 27 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ysa s ASP 28 N -0.14 4.33 -0.03 1.61 -4.77 0.49 -5.14 116.67 113.02 2ysa s ASP 28 Ca 0.51 -1.45 -0.02 0.00 -3.30 0.00 0.00 52.55 48.29 2ysa s ASP 28 Cb 0.37 0.37 0.02 0.00 -1.09 0.00 0.00 42.92 42.58 2ysa s ASP 28 CO -0.16 -0.91 0.08 -0.54 0.70 0.00 0.00 175.17 174.34 2ysa s LYS 29 N -4.02 0.05 -1.48 2.11 3.01 -1.26 -4.86 119.74 113.28 2ysa s LYS 29 Ca 0.20 0.18 -0.12 0.00 -1.01 0.00 0.00 55.97 55.22 2ysa s LYS 29 Cb 0.01 -0.09 0.06 0.00 -1.01 0.00 0.00 37.83 36.80 2ysa s LYS 29 CO 0.12 -0.09 1.04 0.09 0.51 0.00 0.00 175.35 177.02 2ysa n ASN 30 N 3.61 -5.25 -3.37 2.83 4.13 -1.26 -4.96 115.26 110.99 2ysa n ASN 30 Ca -0.20 -0.71 -0.12 0.00 1.68 0.00 0.00 54.58 55.23 2ysa n ASN 30 Cb 0.55 -4.22 -0.09 0.00 -1.54 0.00 0.00 39.78 34.49 2ysa n ASN 30 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2ysa s PHE 31 N -3.31 -0.70 -0.11 3.10 5.36 -1.26 -5.04 117.98 116.02 2ysa s PHE 31 Ca 0.64 0.37 -0.10 0.00 -0.96 0.00 0.00 56.93 56.88 2ysa s PHE 31 Cb -0.31 -0.20 -0.03 0.00 -0.34 0.00 0.00 43.02 42.14 2ysa s PHE 31 CO 0.80 -0.82 -0.20 0.39 -1.46 0.00 0.00 175.22 173.94 2ysa n GLU 32 N 5.34 0.33 -0.02 10.12 1.02 -1.26 -4.90 120.64 131.28 2ysa n GLU 32 Ca -0.02 0.23 -0.03 0.00 -0.02 0.00 0.00 57.16 57.31 2ysa n GLU 32 Cb 0.49 -1.19 -0.02 0.00 -0.02 0.00 0.00 31.44 30.70 2ysa n GLU 32 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ysa n SER 33 N -3.80 3.73 -0.54 1.62 2.88 -1.26 -4.76 113.62 111.49 2ysa n SER 33 Ca -0.08 -0.02 0.06 0.00 -1.33 0.00 0.00 58.87 57.50 2ysa n SER 33 Cb 0.29 0.08 -0.03 0.00 -0.75 0.00 0.00 64.21 63.80 2ysa n SER 33 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ysa n GLY 34 N 3.16 -2.96 3.71 0.46 0.00 -1.26 -4.85 105.19 103.45 2ysa n GLY 34 Ca -0.08 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.61 4.33 0.29 1.61 0.04 -1.26 -5.01 135.00 131.39 2ysa s PRO 35 Ca 0.00 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 62.84 2ysa s PRO 35 Cb 0.00 -3.31 -0.09 0.00 0.04 0.00 0.00 34.50 31.14 2ysa s PRO 35 CO 0.00 -0.44 0.86 1.03 0.04 0.00 0.00 177.00 178.49 2ysa s ARG 36 N 1.29 4.42 0.17 4.56 0.52 -1.26 -5.06 118.95 123.59 2ysa s ARG 36 Ca 0.64 1.12 -0.07 0.00 -0.52 0.00 0.00 55.73 56.91 2ysa s ARG 36 Cb -0.35 -2.77 -0.06 0.00 0.52 0.00 0.00 34.95 32.28 2ysa s ARG 36 CO 0.30 0.30 0.44 -1.50 0.02 0.00 0.00 175.30 174.85 2ysa s ILE 37 N -1.63 5.08 -0.15 1.52 1.10 -1.26 -5.03 121.20 120.82 2ysa s ILE 37 Ca 0.49 0.20 -0.23 0.00 -0.51 0.00 0.00 60.65 60.60 2ysa s ILE 37 Cb -0.17 -3.62 -0.20 0.00 0.15 0.00 0.00 42.46 38.62 2ysa s ILE 37 CO 0.22 0.00 0.49 0.50 -2.11 0.00 0.00 174.94 174.04 2ysa h LYS 38 N 2.74 0.00 -6.05 3.50 3.64 -2.07 -3.45 116.57 114.88 2ysa h LYS 38 Ca -0.46 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.32 2ysa h LYS 38 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2ysa h LYS 38 CO 0.71 0.83 1.43 1.17 -2.27 0.00 0.00 179.45 181.33 2ysa n LYS 39 N -4.58 1.98 -1.97 1.90 3.00 -1.26 -4.88 118.16 112.35 2ysa n LYS 39 Ca -0.14 0.59 -0.43 0.00 -0.00 0.00 0.00 58.31 58.33 2ysa n LYS 39 Cb 0.47 -3.08 -0.03 0.00 0.00 0.00 0.00 35.03 32.39 2ysa n LYS 39 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2ysa s SER 40 N 7.46 6.29 -0.11 3.14 1.04 -1.26 -4.89 113.70 125.37 2ysa s SER 40 Ca 1.00 1.88 -0.28 0.00 0.48 0.00 0.00 55.95 59.03 2ysa s SER 40 Cb -0.43 -2.53 -0.25 0.00 0.10 0.00 0.00 66.02 62.90 2ysa s SER 40 CO 0.39 -1.29 0.87 0.71 0.98 0.00 0.00 173.24 174.90 2ysa h THR 41 N 6.14 1.70 0.00 2.02 1.35 -1.96 -3.48 112.91 118.69 2ysa h THR 41 Ca -0.38 -2.14 0.00 0.00 -0.55 0.00 0.00 66.41 63.34 2ysa h THR 41 Cb 1.18 3.15 0.00 0.00 -1.73 0.00 0.00 68.15 70.75 2ysa h THR 41 CO 0.98 0.56 0.00 0.61 -0.25 0.00 0.00 175.52 177.42 2ysa n GLY 42 N 1.36 1.71 3.78 5.82 0.00 -1.26 -4.91 105.19 111.69 2ysa n GLY 42 Ca -0.10 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 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 0.16 -0.61 -5.25 -1.26 -5.05 121.20 112.84 2ysa s ILE 43 Ca 0.00 1.21 -0.03 0.00 -0.99 0.00 0.00 60.65 60.84 2ysa s ILE 43 Cb 0.00 -3.59 0.04 0.00 2.95 0.00 0.00 42.46 41.85 2ysa s ILE 43 CO 0.00 -0.05 0.14 -0.81 -1.79 0.00 0.00 174.94 172.44 2ysa n PRO 44 N -0.32 -1.30 -0.25 0.37 -0.04 -1.26 -4.78 135.00 127.42 2ysa n PRO 44 Ca 0.06 -0.23 0.24 0.00 -0.04 0.00 0.00 63.50 63.53 2ysa n PRO 44 Cb 0.50 -0.21 0.43 0.00 -0.04 0.00 0.00 33.50 34.17 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 -1.95 -0.04 -4.62 0.54 1.85 -1.26 -4.07 116.66 107.12 2ysa n ARG 45 Ca 0.02 0.93 -0.22 0.00 -1.00 0.00 0.00 57.85 57.58 2ysa n ARG 45 Cb 0.08 -1.71 -0.15 0.00 -1.05 0.00 0.00 32.46 29.62 2ysa n ARG 45 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2ysa s SER 46 N -4.58 1.59 -0.09 2.89 0.15 -1.26 -5.05 113.70 107.35 2ysa s SER 46 Ca -0.06 -0.25 -0.25 0.00 0.70 0.00 0.00 55.95 56.09 2ysa s SER 46 Cb 0.23 -0.20 -0.28 0.00 -1.71 0.00 0.00 66.02 64.07 2ysa s SER 46 CO 0.55 0.16 0.87 2.19 1.20 0.00 0.00 173.24 178.21 2ysa h PHE 47 N 5.85 0.26 -3.39 3.44 -0.00 -1.91 -3.45 116.94 117.74 2ysa h PHE 47 Ca -0.34 -0.18 -0.55 0.00 -0.00 0.00 0.00 57.97 56.91 2ysa h PHE 47 Cb 1.16 -0.01 -0.03 0.00 -0.00 0.00 0.00 35.95 37.07 2ysa h PHE 47 CO 0.40 1.10 0.26 1.41 -0.00 0.00 0.00 178.31 181.49 2ysa s MET 48 N -2.48 4.51 0.52 6.09 1.75 -1.26 -4.96 119.30 123.47 2ysa s MET 48 Ca -0.16 1.20 0.07 0.00 -1.25 0.00 0.00 55.69 55.54 2ysa s MET 48 Cb -0.01 -3.46 0.07 0.00 2.84 0.00 0.00 34.83 34.27 2ysa s MET 48 CO 0.75 -0.01 0.57 0.00 -0.65 0.00 0.00 175.02 175.68 2ysa n MET 49 N 3.89 0.68 -2.43 4.11 0.00 -1.26 -4.67 117.12 117.44 2ysa n MET 49 Ca 0.03 -3.01 -0.13 0.00 0.00 0.00 0.00 57.70 54.59 2ysa n MET 49 Cb 0.51 0.04 0.00 0.00 0.00 0.00 0.00 33.22 33.77 2ysa n MET 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2ysa n GLU 50 N -1.94 -1.79 -1.82 3.17 0.00 -1.26 -4.94 120.64 112.05 2ysa n GLU 50 Ca 0.07 0.60 -0.42 0.00 0.00 0.00 0.00 57.16 57.41 2ysa n GLU 50 Cb 0.56 -4.77 -0.03 0.00 0.00 0.00 0.00 31.44 27.20 2ysa n GLU 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2ysa s VAL 51 N -2.75 2.32 1.13 6.31 -7.23 -1.26 -4.98 120.40 113.94 2ysa s VAL 51 Ca 0.07 0.22 -0.13 0.00 -1.81 0.00 0.00 61.98 60.33 2ysa s VAL 51 Cb -0.03 -3.14 0.26 0.00 0.56 0.00 0.00 36.38 34.03 2ysa s VAL 51 CO 0.09 0.02 1.04 -0.54 -0.31 0.00 0.00 175.10 175.40 2ysa s LYS 52 N 1.21 -0.64 0.09 4.82 3.01 -1.26 -5.06 119.74 121.92 2ysa s LYS 52 Ca 0.73 0.67 0.08 0.00 -1.01 0.00 0.00 55.97 56.44 2ysa s LYS 52 Cb -0.47 -1.60 -0.03 0.00 -1.01 0.00 0.00 37.83 34.72 2ysa s LYS 52 CO 0.32 -3.49 -0.20 0.16 0.51 0.00 0.00 175.35 172.64 2ysa s ASP 53 N -2.85 2.46 0.20 2.83 1.47 -1.26 -5.05 116.67 114.47 2ysa s ASP 53 Ca 0.68 -0.66 -0.04 0.00 1.18 0.00 0.00 52.55 53.70 2ysa s ASP 53 Cb -0.23 -0.14 0.14 0.00 -0.34 0.00 0.00 42.92 42.35 2ysa s ASP 53 CO 0.62 0.06 1.55 1.55 0.68 0.00 0.00 175.17 179.63 2ysa h PRO 54 N 4.17 0.66 -0.02 2.11 0.13 -2.07 -3.57 132.00 133.42 2ysa h PRO 54 Ca -0.45 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.33 2ysa h PRO 54 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ysa h PRO 54 CO 0.40 0.96 0.00 -1.71 -0.23 0.00 0.00 178.00 177.42