#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysb n SER 2 N 0.00 -0.97 -4.70 1.61 3.41 -1.26 -4.75 113.62 106.96 2ysb n SER 2 Ca 0.00 -1.01 -0.42 0.00 -0.26 0.00 0.00 58.87 57.18 2ysb n SER 2 Cb 0.00 -1.28 -0.03 0.00 -0.26 0.00 0.00 64.21 62.64 2ysb n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ysb s SER 3 N -3.09 6.40 0.00 4.04 0.15 -1.26 -4.06 113.70 115.87 2ysb s SER 3 Ca 0.52 2.81 0.00 0.00 0.70 0.00 0.00 55.95 59.99 2ysb s SER 3 Cb -0.31 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.43 2ysb s SER 3 CO 0.82 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2ysb n GLY 4 N 4.16 1.14 3.45 9.45 0.00 -1.26 -5.09 105.19 117.04 2ysb n GLY 4 Ca 0.17 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.19 2ysb n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysb s SER 5 N 0.00 -0.98 0.31 1.61 0.01 -1.26 -5.03 113.70 108.36 2ysb s SER 5 Ca 0.00 1.13 0.06 0.00 1.31 0.00 0.00 55.95 58.45 2ysb s SER 5 Cb 0.00 2.03 0.86 0.00 0.21 0.00 0.00 66.02 69.12 2ysb s SER 5 CO 0.00 -0.19 1.60 0.28 0.41 0.00 0.00 173.24 175.35 2ysb h SER 6 N 7.86 -0.12 -2.57 2.44 0.02 -1.99 -3.42 113.55 115.78 2ysb h SER 6 Ca -0.18 0.24 0.13 0.00 -0.84 0.00 0.00 61.79 61.15 2ysb h SER 6 Cb 1.12 0.35 -0.29 0.00 0.14 0.00 0.00 62.40 63.72 2ysb h SER 6 CO 0.11 -0.29 0.60 -0.83 -1.14 0.00 0.00 176.83 175.28 2ysb s GLY 7 N -4.20 0.15 0.00 -3.77 0.00 -1.26 -5.02 107.32 93.21 2ysb s GLY 7 Ca -0.12 3.21 0.14 0.00 0.00 0.00 0.00 44.72 47.96 2ysb s GLY 7 CO 0.78 2.19 0.94 -1.84 0.00 0.00 0.00 173.10 175.17 2ysb n GLU 8 N 2.53 1.03 -3.74 2.90 0.28 -1.26 -4.98 120.64 117.40 2ysb n GLU 8 Ca -0.14 -1.31 -0.28 0.00 -0.16 0.00 0.00 57.16 55.27 2ysb n GLU 8 Cb 0.57 -1.27 -0.06 0.00 1.43 0.00 0.00 31.44 32.11 2ysb n GLU 8 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2ysb n ASP 9 N 0.74 -0.67 -3.68 -1.84 2.03 -1.26 -4.73 116.55 107.14 2ysb n ASP 9 Ca 0.08 -0.91 -0.34 0.00 0.52 0.00 0.00 54.79 54.15 2ysb n ASP 9 Cb 0.35 -1.15 0.02 0.00 -0.72 0.00 0.00 41.12 39.62 2ysb n ASP 9 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2ysb n LEU 10 N -3.24 -3.99 -4.56 -2.67 4.77 -1.26 -4.67 117.00 101.38 2ysb n LEU 10 Ca -0.02 0.43 -0.27 0.00 -0.03 0.00 0.00 56.01 56.12 2ysb n LEU 10 Cb 0.38 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 40.70 2ysb n LEU 10 CO 0.67 -4.63 1.36 -2.16 -1.33 0.00 0.00 177.39 171.30 2ysb s PRO 11 N -1.20 2.55 0.54 3.23 0.04 -1.26 -4.95 135.00 133.95 2ysb s PRO 11 Ca 0.45 -0.41 -0.19 0.00 0.04 0.00 0.00 61.00 60.90 2ysb s PRO 11 Cb -0.34 -5.09 -0.10 0.00 0.04 0.00 0.00 34.50 29.01 2ysb s PRO 11 CO 0.64 -3.46 0.43 1.28 0.04 0.00 0.00 177.00 175.93 2ysb n LEU 12 N 14.03 0.01 -4.69 -3.56 4.77 -1.26 -4.95 117.00 121.35 2ysb n LEU 12 Ca 0.41 0.75 -0.29 0.00 -0.03 0.00 0.00 56.01 56.84 2ysb n LEU 12 Cb 0.47 -1.12 0.16 0.00 -2.33 0.00 0.00 43.42 40.60 2ysb n LEU 12 CO 0.61 -3.29 0.65 -2.16 -1.33 0.00 0.00 177.39 171.87 2ysb s PRO 13 N -1.85 0.74 -0.46 3.23 0.04 -1.26 -4.93 135.00 130.50 2ysb s PRO 13 Ca 0.66 0.64 -0.28 0.00 0.04 0.00 0.00 61.00 62.06 2ysb s PRO 13 Cb -0.47 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 2ysb s PRO 13 CO 0.57 -2.55 1.77 -1.25 0.04 0.00 0.00 177.00 175.58 2ysb s PRO 14 N -4.95 3.06 0.00 0.56 0.04 -1.26 -2.49 135.00 129.96 2ysb s PRO 14 Ca 0.65 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2ysb s PRO 14 Cb -0.18 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.10 2ysb s PRO 14 CO 0.57 -2.20 0.00 0.41 0.04 0.00 0.00 177.00 175.83 2ysb n GLY 15 N 5.49 1.20 3.96 0.56 0.00 -1.26 -4.97 105.19 110.18 2ysb n GLY 15 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 2ysb n GLY 15 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ysb s TRP 16 N -1.37 3.46 -0.23 1.61 0.52 -1.04 -2.25 118.94 119.64 2ysb s TRP 16 Ca 0.00 0.03 -0.11 0.00 0.02 0.00 0.00 56.10 56.04 2ysb s TRP 16 Cb 0.00 -1.60 0.08 0.00 -1.15 0.00 0.00 33.47 30.80 2ysb s TRP 16 CO 0.00 0.47 0.53 -1.12 0.02 0.00 0.00 176.95 176.85 2ysb s SER 17 N -3.72 -0.69 0.18 2.95 0.01 -0.58 -4.89 113.70 106.96 2ysb s SER 17 Ca 0.34 1.21 -0.09 0.00 1.31 0.00 0.00 55.95 58.72 2ysb s SER 17 Cb -0.10 1.32 -0.07 0.00 0.21 0.00 0.00 66.02 67.38 2ysb s SER 17 CO 0.29 -0.22 0.50 0.54 0.41 0.00 0.00 173.24 174.76 2ysb s VAL 18 N 1.95 4.98 -0.10 3.43 0.11 -1.26 -0.20 120.40 129.32 2ysb s VAL 18 Ca -0.08 0.44 -0.15 0.00 -2.93 0.00 0.00 61.98 59.27 2ysb s VAL 18 Cb -0.09 -3.64 0.03 0.00 -1.53 0.00 0.00 36.38 31.16 2ysb s VAL 18 CO -0.16 0.04 0.38 -0.62 -3.33 0.00 0.00 175.10 171.41 2ysb s ASP 19 N -2.21 -0.35 -0.22 3.54 2.15 -0.26 -4.96 116.67 114.36 2ysb s ASP 19 Ca 0.43 0.57 -0.11 0.00 0.43 0.00 0.00 52.55 53.86 2ysb s ASP 19 Cb -0.12 0.64 -0.05 0.00 -0.30 0.00 0.00 42.92 43.09 2ysb s ASP 19 CO 0.21 -0.25 0.20 0.26 -0.17 0.00 0.00 175.17 175.42 2ysb s TRP 20 N -0.32 3.36 0.72 -5.34 0.51 -1.26 -2.00 118.94 114.62 2ysb s TRP 20 Ca -0.05 0.35 -0.11 0.00 -2.12 0.00 0.00 56.10 54.17 2ysb s TRP 20 Cb -0.03 -2.28 0.02 0.00 -0.81 0.00 0.00 33.47 30.37 2ysb s TRP 20 CO 0.02 0.13 1.10 0.95 -0.51 0.00 0.00 176.95 178.64 2ysb s THR 21 N 0.85 3.36 0.22 2.01 -4.23 -0.65 -4.89 115.64 112.31 2ysb s THR 21 Ca 0.10 0.44 -0.15 0.00 -1.18 0.00 0.00 61.69 60.90 2ysb s THR 21 Cb -0.13 -3.41 0.24 0.00 1.34 0.00 0.00 72.50 70.54 2ysb s THR 21 CO 0.03 -0.58 1.59 -0.03 -0.54 0.00 0.00 174.62 175.09 2ysb h MET 22 N -0.72 -0.06 -0.81 3.99 1.85 -1.98 0.27 114.93 117.47 2ysb h MET 22 Ca -0.45 0.00 0.16 0.00 -0.61 0.00 0.00 59.70 58.80 2ysb h MET 22 Cb 1.26 0.01 -0.10 0.00 0.43 0.00 0.00 31.60 33.20 2ysb h MET 22 CO 0.63 -0.04 0.34 0.00 -0.40 0.00 0.00 176.91 177.44 2ysb h ARG 23 N -0.06 0.44 0.00 0.39 2.47 -2.04 -3.45 114.38 112.13 2ysb h ARG 23 Ca 0.32 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 2ysb h ARG 23 Cb 0.56 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 2ysb h ARG 23 CO -0.78 0.29 0.00 0.41 0.56 0.00 0.00 179.97 180.45 2ysb n GLY 24 N -1.33 1.88 3.87 0.04 0.00 0.96 -5.13 105.19 105.48 2ysb n GLY 24 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2ysb n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ysb s ARG 25 N 0.00 3.52 -0.35 1.61 0.52 -1.25 -4.85 118.95 118.16 2ysb s ARG 25 Ca 0.00 -0.06 -0.16 0.00 -0.52 0.00 0.00 55.73 54.98 2ysb s ARG 25 Cb 0.00 -3.20 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 2ysb s ARG 25 CO 0.00 0.75 0.42 0.21 0.02 0.00 0.00 175.30 176.70 2ysb s LYS 26 N -0.99 3.58 0.03 3.54 2.20 -1.26 -1.64 119.74 125.20 2ysb s LYS 26 Ca 0.16 -0.33 0.07 0.00 -0.36 0.00 0.00 55.97 55.51 2ysb s LYS 26 Cb -0.13 -3.81 -0.02 0.00 -1.51 0.00 0.00 37.83 32.36 2ysb s LYS 26 CO 0.05 -0.57 -0.21 1.52 -0.36 0.00 0.00 175.35 175.78 2ysb s TYR 27 N 2.15 1.84 -0.21 4.03 1.13 -0.85 -4.78 117.35 120.66 2ysb s TYR 27 Ca 0.14 -0.37 -0.09 0.00 -1.41 0.00 0.00 57.07 55.34 2ysb s TYR 27 Cb -0.16 -1.11 -0.05 0.00 -1.10 0.00 0.00 41.96 39.54 2ysb s TYR 27 CO 0.12 0.07 0.12 0.71 -2.51 0.00 0.00 175.55 174.06 2ysb s TYR 28 N -0.74 3.31 -0.16 -3.49 2.02 -0.04 -1.11 117.35 117.14 2ysb s TYR 28 Ca 0.08 0.18 -0.08 0.00 -0.37 0.00 0.00 57.07 56.87 2ysb s TYR 28 Cb -0.09 -2.18 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 2ysb s TYR 28 CO 0.01 0.14 0.12 0.42 -1.57 0.00 0.00 175.55 174.67 2ysb s ILE 29 N 0.67 5.37 -0.38 2.71 1.01 0.72 -0.66 121.20 130.65 2ysb s ILE 29 Ca 0.06 0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.77 2ysb s ILE 29 Cb -0.12 -3.39 0.03 0.00 0.01 0.00 0.00 42.46 38.99 2ysb s ILE 29 CO 0.01 0.53 0.20 -0.62 0.00 0.00 0.00 174.94 175.07 2ysb s ASP 30 N -0.33 5.71 0.40 3.58 -1.08 0.17 -1.52 116.67 123.60 2ysb s ASP 30 Ca 0.11 -1.03 0.21 0.00 -0.52 0.00 0.00 52.55 51.32 2ysb s ASP 30 Cb -0.12 -2.01 0.27 0.00 -1.46 0.00 0.00 42.92 39.60 2ysb s ASP 30 CO 0.01 -0.39 1.56 0.45 0.52 0.00 0.00 175.17 177.32 2ysb h HIS 31 N 8.42 0.00 0.10 -5.34 3.86 -1.75 1.37 115.15 121.81 2ysb h HIS 31 Ca -0.25 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.69 2ysb h HIS 31 Cb 1.10 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.58 2ysb h HIS 31 CO 0.57 0.11 -1.16 -0.91 0.86 0.00 0.00 177.93 177.40 2ysb h ASN 32 N 0.00 0.58 0.00 2.45 2.35 -1.92 -3.35 115.58 115.69 2ysb h ASN 32 Ca -0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 55.20 2ysb h ASN 32 Cb 1.09 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.27 2ysb h ASN 32 CO 0.01 1.39 -1.17 0.35 -1.65 0.00 0.00 177.43 176.36 2ysb n THR 33 N -3.67 0.00 -2.94 2.81 -2.24 -1.23 -5.02 114.28 101.99 2ysb n THR 33 Ca -0.10 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 2ysb n THR 33 Cb 0.96 0.51 0.05 0.00 -2.10 0.00 0.00 70.33 69.75 2ysb n THR 33 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ysb n ASN 34 N -1.67 -2.77 -4.04 3.42 3.02 0.46 -5.05 115.26 108.63 2ysb n ASN 34 Ca -0.01 -0.36 -0.09 0.00 -0.03 0.00 0.00 54.58 54.10 2ysb n ASN 34 Cb 0.26 -3.25 -0.11 0.00 -0.61 0.00 0.00 39.78 36.08 2ysb n ASN 34 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2ysb s THR 35 N -3.21 0.22 0.12 3.41 -4.23 -0.86 -4.93 115.64 106.16 2ysb s THR 35 Ca 0.10 -1.35 0.05 0.00 -1.18 0.00 0.00 61.69 59.30 2ysb s THR 35 Cb -0.04 -0.89 -0.04 0.00 1.34 0.00 0.00 72.50 72.87 2ysb s THR 35 CO 0.44 -0.72 0.06 0.42 -0.54 0.00 0.00 174.62 174.28 2ysb s THR 36 N -2.59 4.26 -0.08 3.99 -4.23 -1.26 0.46 115.64 116.20 2ysb s THR 36 Ca -0.04 -1.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.43 2ysb s THR 36 Cb -0.02 -3.09 0.04 0.00 1.34 0.00 0.00 72.50 70.77 2ysb s THR 36 CO -0.05 0.03 0.16 -1.00 -0.54 0.00 0.00 174.62 173.23 2ysb s HIS 37 N -1.50 -0.19 0.24 3.99 3.76 0.17 -4.98 115.29 116.77 2ysb s HIS 37 Ca 0.28 0.56 -0.03 0.00 -0.15 0.00 0.00 55.06 55.73 2ysb s HIS 37 Cb -0.11 -0.11 0.27 0.00 1.11 0.00 0.00 32.58 33.74 2ysb s HIS 37 CO 0.21 -0.20 1.71 -1.49 -0.85 0.00 0.00 174.74 174.11 2ysb h TRP 38 N 7.54 0.86 -2.36 1.40 -0.00 -1.86 -0.08 115.95 121.46 2ysb h TRP 38 Ca -0.35 -0.15 -0.47 0.00 -0.00 0.00 0.00 58.89 57.93 2ysb h TRP 38 Cb 1.13 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.16 30.06 2ysb h TRP 38 CO 0.42 0.84 -0.37 -1.12 -0.00 0.00 0.00 178.44 178.21 2ysb s SER 39 N -6.68 6.32 0.39 -3.49 0.01 -1.26 -4.67 113.70 104.31 2ysb s SER 39 Ca -0.09 0.17 -0.27 0.00 1.31 0.00 0.00 55.95 57.06 2ysb s SER 39 Cb 0.14 -1.91 -0.10 0.00 0.21 0.00 0.00 66.02 64.36 2ysb s SER 39 CO 0.82 -0.12 1.47 -2.28 0.41 0.00 0.00 173.24 173.54 2ysb s HIS 40 N -2.06 2.57 0.20 2.43 2.46 -1.26 -4.78 115.29 114.85 2ysb s HIS 40 Ca 0.36 1.20 0.26 0.00 0.47 0.00 0.00 55.06 57.34 2ysb s HIS 40 Cb -0.09 -3.99 1.09 0.00 -0.13 0.00 0.00 32.58 29.46 2ysb s HIS 40 CO 0.31 -2.95 1.90 -1.00 -2.47 0.00 0.00 174.74 170.53 2ysb h PRO 41 N 2.87 0.00 0.00 2.88 0.13 -1.94 -2.87 132.00 133.07 2ysb h PRO 41 Ca -0.51 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.34 2ysb h PRO 41 Cb 1.24 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 2ysb h PRO 41 CO 0.64 0.18 -1.58 -0.07 -0.23 0.00 0.00 178.00 176.94 2ysb h LEU 42 N 0.00 0.00 -0.27 1.56 3.38 -1.97 -3.36 115.31 114.66 2ysb h LEU 42 Ca -0.00 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2ysb h LEU 42 Cb 0.63 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2ysb h LEU 42 CO 0.02 1.00 -0.02 -0.33 0.09 0.00 0.00 178.44 179.21 2ysb h GLU 43 N 0.00 0.49 -6.38 1.13 4.39 -1.91 -3.42 114.58 108.87 2ysb h GLU 43 Ca -0.24 -0.16 -0.53 0.00 0.34 0.00 0.00 59.36 58.77 2ysb h GLU 43 Cb 1.97 -0.04 0.02 0.00 -0.10 0.00 0.00 28.75 30.60 2ysb h GLU 43 CO 0.09 0.66 1.13 -1.54 -1.16 0.00 0.00 179.01 178.20 2ysb s SER 44 N -6.02 6.52 -0.23 1.42 1.04 -1.10 -4.94 113.70 110.40 2ysb s SER 44 Ca -0.13 2.56 -0.37 0.00 0.48 0.00 0.00 55.95 58.49 2ysb s SER 44 Cb 0.08 -2.54 0.15 0.00 0.10 0.00 0.00 66.02 63.80 2ysb s SER 44 CO 0.76 -0.98 1.29 -0.83 0.98 0.00 0.00 173.24 174.45 2ysb s GLY 45 N 3.48 -0.26 0.47 7.32 0.00 -1.26 -4.99 107.32 112.08 2ysb s GLY 45 Ca 0.81 1.71 0.26 0.00 0.00 0.00 0.00 44.72 47.50 2ysb s GLY 45 CO 0.36 0.57 1.90 -0.56 0.00 0.00 0.00 173.10 175.37 2ysb h PRO 46 N 2.00 0.00 -7.04 2.90 0.13 -1.99 -3.46 132.00 124.53 2ysb h PRO 46 Ca -0.07 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.46 2ysb h PRO 46 Cb 1.15 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.98 2ysb h PRO 46 CO 0.21 0.18 -0.90 -1.13 -0.23 0.00 0.00 178.00 176.13 2ysb n SER 47 N -3.40 -1.68 0.03 1.44 3.41 -1.26 -4.85 113.62 107.31 2ysb n SER 47 Ca -0.00 -1.18 -0.04 0.00 -0.26 0.00 0.00 58.87 57.38 2ysb n SER 47 Cb 0.37 -1.96 -0.02 0.00 -0.26 0.00 0.00 64.21 62.34 2ysb n SER 47 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2ysb h SER 48 N -1.22 -0.16 0.00 4.04 0.87 -2.06 -3.57 113.55 111.45 2ysb h SER 48 Ca -0.61 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 59.90 2ysb h SER 48 Cb 1.39 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 2ysb h SER 48 CO 0.83 0.34 0.00 0.61 -0.53 0.00 0.00 176.83 178.07