#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 -3.73 -2.92 1.61 7.64 -1.26 -1.00 113.62 113.97 2ysb n SER 2 Ca 0.00 -0.85 -0.18 0.00 1.01 0.00 0.00 58.87 58.86 2ysb n SER 2 Cb 0.00 -3.61 0.06 0.00 -1.01 0.00 0.00 64.21 59.65 2ysb n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2ysb n SER 3 N -2.84 -4.66 -0.61 6.43 2.88 -1.26 -5.02 113.62 108.54 2ysb n SER 3 Ca -0.02 -0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 2ysb n SER 3 Cb 0.55 -4.07 0.00 0.00 -0.75 0.00 0.00 64.21 59.94 2ysb n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ysb n GLY 4 N -1.55 1.87 0.93 0.46 0.00 -0.17 -5.09 105.19 101.64 2ysb n GLY 4 Ca -0.05 -2.06 -0.02 0.00 0.00 0.00 0.00 46.02 43.89 2ysb n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ysb n SER 5 N -0.86 0.57 -4.69 1.61 2.88 -1.26 -4.79 113.62 107.07 2ysb n SER 5 Ca 0.00 0.08 -0.58 0.00 -1.33 0.00 0.00 58.87 57.03 2ysb n SER 5 Cb 0.00 -0.19 -0.07 0.00 -0.75 0.00 0.00 64.21 63.20 2ysb n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2ysb n SER 6 N -3.30 1.99 0.00 -3.46 2.88 -1.26 -4.86 113.62 105.62 2ysb n SER 6 Ca -0.04 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 2ysb n SER 6 Cb 0.35 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 2ysb n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ysb n GLY 7 N 3.81 4.43 3.56 0.46 0.00 -1.26 -4.81 105.19 111.38 2ysb n GLY 7 Ca 0.26 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 2ysb n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ysb s GLU 8 N 3.26 2.70 0.00 1.61 8.01 -1.26 -4.84 118.70 128.18 2ysb s GLU 8 Ca 0.00 -0.03 -0.04 0.00 0.01 0.00 0.00 54.97 54.90 2ysb s GLU 8 Cb 0.00 -4.80 -0.18 0.00 -4.31 0.00 0.00 34.13 24.84 2ysb s GLU 8 CO 0.00 -2.99 2.80 -3.47 0.01 0.00 0.00 175.26 171.61 2ysb n ASP 9 N 12.89 4.27 -4.11 -0.19 2.03 -1.26 -4.94 116.55 125.25 2ysb n ASP 9 Ca 0.31 -2.27 -0.36 0.00 0.52 0.00 0.00 54.79 52.98 2ysb n ASP 9 Cb 0.49 -1.11 0.04 0.00 -0.72 0.00 0.00 41.12 39.82 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 2.42 -4.79 -4.57 -2.67 4.77 -1.26 -4.69 117.00 106.21 2ysb n LEU 10 Ca 0.29 0.32 -0.27 0.00 -0.03 0.00 0.00 56.01 56.32 2ysb n LEU 10 Cb 0.69 -0.83 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 2ysb n LEU 10 CO 0.12 -5.47 1.41 -2.16 -1.33 0.00 0.00 177.39 169.97 2ysb s PRO 11 N -1.91 2.53 0.43 3.23 0.04 -1.26 -4.94 135.00 133.12 2ysb s PRO 11 Ca 0.46 -0.67 -0.21 0.00 0.04 0.00 0.00 61.00 60.63 2ysb s PRO 11 Cb -0.26 -5.14 -0.15 0.00 0.04 0.00 0.00 34.50 28.99 2ysb s PRO 11 CO 0.77 -3.64 0.11 1.28 0.04 0.00 0.00 177.00 175.56 2ysb n LEU 12 N 14.15 -2.60 -4.69 -3.56 4.77 -1.26 -4.92 117.00 118.88 2ysb n LEU 12 Ca 0.42 0.79 -0.29 0.00 -0.03 0.00 0.00 56.01 56.90 2ysb n LEU 12 Cb 0.47 -0.91 0.16 0.00 -2.33 0.00 0.00 43.42 40.81 2ysb n LEU 12 CO 0.63 -4.14 0.65 -2.16 -1.33 0.00 0.00 177.39 171.04 2ysb s PRO 13 N -1.10 0.77 -0.45 3.23 0.04 -1.26 -4.93 135.00 131.30 2ysb s PRO 13 Ca 0.60 0.65 -0.28 0.00 0.04 0.00 0.00 61.00 62.01 2ysb s PRO 13 Cb -0.60 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 2ysb s PRO 13 CO 0.63 -2.53 1.76 -1.25 0.04 0.00 0.00 177.00 175.65 2ysb s PRO 14 N -4.95 3.10 0.00 0.56 0.04 -1.26 -2.55 135.00 129.94 2ysb s PRO 14 Ca 0.64 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2ysb s PRO 14 Cb -0.18 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.11 2ysb s PRO 14 CO 0.57 -2.14 0.00 0.41 0.04 0.00 0.00 177.00 175.88 2ysb n GLY 15 N 5.48 1.47 3.94 0.56 0.00 -1.26 -4.97 105.19 110.41 2ysb n GLY 15 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.25 3.50 -0.20 1.61 0.52 -1.06 -2.48 118.94 119.58 2ysb s TRP 16 Ca 0.00 0.38 -0.09 0.00 0.02 0.00 0.00 56.10 56.41 2ysb s TRP 16 Cb 0.00 -1.92 0.08 0.00 -1.15 0.00 0.00 33.47 30.48 2ysb s TRP 16 CO 0.00 0.11 0.47 -1.12 0.02 0.00 0.00 176.95 176.42 2ysb s SER 17 N -4.00 -0.53 0.15 2.95 0.01 -0.45 -4.91 113.70 106.93 2ysb s SER 17 Ca 0.40 1.06 -0.11 0.00 1.31 0.00 0.00 55.95 58.62 2ysb s SER 17 Cb -0.10 1.16 -0.07 0.00 0.21 0.00 0.00 66.02 67.23 2ysb s SER 17 CO 0.36 -0.21 0.49 0.54 0.41 0.00 0.00 173.24 174.83 2ysb s VAL 18 N 1.96 4.97 -0.15 3.43 0.11 -1.26 -0.19 120.40 129.27 2ysb s VAL 18 Ca -0.07 0.54 -0.14 0.00 -2.93 0.00 0.00 61.98 59.39 2ysb s VAL 18 Cb -0.09 -3.66 0.04 0.00 -1.53 0.00 0.00 36.38 31.13 2ysb s VAL 18 CO -0.14 0.14 0.40 -0.62 -3.33 0.00 0.00 175.10 171.54 2ysb s ASP 19 N -2.00 -0.42 -0.19 3.54 2.15 -0.26 -4.97 116.67 114.53 2ysb s ASP 19 Ca 0.40 0.81 -0.14 0.00 0.43 0.00 0.00 52.55 54.04 2ysb s ASP 19 Cb -0.13 0.81 -0.04 0.00 -0.30 0.00 0.00 42.92 43.26 2ysb s ASP 19 CO 0.20 -0.14 0.31 0.26 -0.17 0.00 0.00 175.17 175.63 2ysb s TRP 20 N 0.24 3.41 0.74 -5.34 0.51 -1.26 -1.90 118.94 115.34 2ysb s TRP 20 Ca -0.00 0.55 -0.10 0.00 -2.12 0.00 0.00 56.10 54.43 2ysb s TRP 20 Cb -0.03 -2.40 0.05 0.00 -0.81 0.00 0.00 33.47 30.29 2ysb s TRP 20 CO 0.00 0.13 1.09 0.95 -0.51 0.00 0.00 176.95 178.61 2ysb s THR 21 N 0.85 2.61 0.14 2.01 -4.23 -0.46 -4.89 115.64 111.67 2ysb s THR 21 Ca 0.16 0.06 -0.30 0.00 -1.18 0.00 0.00 61.69 60.43 2ysb s THR 21 Cb -0.14 -3.17 -0.06 0.00 1.34 0.00 0.00 72.50 70.48 2ysb s THR 21 CO 0.05 -0.21 1.56 0.24 -0.54 0.00 0.00 174.62 175.72 2ysb h MET 22 N -0.76 -0.32 -0.96 3.99 2.86 -1.98 0.14 114.93 117.89 2ysb h MET 22 Ca -0.45 0.02 0.30 0.00 -2.06 0.00 0.00 59.70 57.51 2ysb h MET 22 Cb 1.30 0.07 -0.15 0.00 0.06 0.00 0.00 31.60 32.88 2ysb h MET 22 CO 0.64 -0.21 0.40 -0.09 1.06 0.00 0.00 176.91 178.70 2ysb h ARG 23 N -0.33 0.21 0.00 1.72 9.65 -2.05 -3.44 114.38 120.14 2ysb h ARG 23 Ca 0.11 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 2ysb h ARG 23 Cb 0.58 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 2ysb h ARG 23 CO -0.63 0.14 0.00 0.41 2.80 0.00 0.00 179.97 182.69 2ysb n GLY 24 N -1.33 1.98 3.87 2.80 0.00 0.48 -5.13 105.19 107.86 2ysb n GLY 24 Ca 0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.03 3.48 -0.36 1.61 0.52 -1.25 -4.85 118.95 118.08 2ysb s ARG 25 Ca 0.00 -0.11 -0.16 0.00 -0.52 0.00 0.00 55.73 54.94 2ysb s ARG 25 Cb 0.00 -3.20 -0.00 0.00 0.52 0.00 0.00 34.95 32.27 2ysb s ARG 25 CO 0.00 0.76 0.41 0.21 0.02 0.00 0.00 175.30 176.70 2ysb s LYS 26 N -0.98 3.47 0.04 3.54 2.20 -1.26 -1.35 119.74 125.39 2ysb s LYS 26 Ca 0.15 -0.45 0.09 0.00 -0.36 0.00 0.00 55.97 55.40 2ysb s LYS 26 Cb -0.12 -3.84 -0.03 0.00 -1.51 0.00 0.00 37.83 32.33 2ysb s LYS 26 CO 0.04 -0.62 -0.26 1.52 -0.36 0.00 0.00 175.35 175.67 2ysb s TYR 27 N 2.12 2.26 -0.19 4.03 1.13 -0.80 -4.84 117.35 121.06 2ysb s TYR 27 Ca 0.13 -0.41 -0.08 0.00 -1.41 0.00 0.00 57.07 55.30 2ysb s TYR 27 Cb -0.16 -1.36 -0.04 0.00 -1.10 0.00 0.00 41.96 39.29 2ysb s TYR 27 CO 0.12 0.11 0.09 0.71 -2.51 0.00 0.00 175.55 174.08 2ysb s TYR 28 N -0.79 3.31 -0.12 -3.49 2.02 -0.67 -1.10 117.35 116.50 2ysb s TYR 28 Ca 0.11 0.18 -0.06 0.00 -0.37 0.00 0.00 57.07 56.93 2ysb s TYR 28 Cb -0.10 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 2ysb s TYR 28 CO 0.02 0.21 0.08 0.42 -1.57 0.00 0.00 175.55 174.70 2ysb s ILE 29 N 0.38 4.98 -0.35 2.71 1.01 0.74 -0.23 121.20 130.44 2ysb s ILE 29 Ca 0.05 0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.62 2ysb s ILE 29 Cb -0.12 -3.17 0.02 0.00 0.01 0.00 0.00 42.46 39.21 2ysb s ILE 29 CO -0.01 0.58 0.17 -0.62 0.00 0.00 0.00 174.94 175.06 2ysb s ASP 30 N -0.65 5.57 0.37 3.58 -1.08 0.24 -1.35 116.67 123.36 2ysb s ASP 30 Ca 0.12 -0.89 0.22 0.00 -0.52 0.00 0.00 52.55 51.48 2ysb s ASP 30 Cb -0.12 -1.98 0.24 0.00 -1.46 0.00 0.00 42.92 39.61 2ysb s ASP 30 CO 0.02 -0.32 1.46 0.45 0.52 0.00 0.00 175.17 177.31 2ysb h HIS 31 N 8.36 0.00 -0.07 -5.34 3.86 -1.78 1.04 115.15 121.23 2ysb h HIS 31 Ca -0.27 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.71 2ysb h HIS 31 Cb 1.11 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.59 2ysb h HIS 31 CO 0.59 0.03 -0.88 -0.91 0.86 0.00 0.00 177.93 177.62 2ysb h ASN 32 N 0.00 0.79 0.00 2.45 2.35 -1.92 -3.35 115.58 115.90 2ysb h ASN 32 Ca -0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 56.30 55.18 2ysb h ASN 32 Cb 1.02 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.16 2ysb h ASN 32 CO 0.00 1.36 -1.27 0.35 -1.65 0.00 0.00 177.43 176.22 2ysb n THR 33 N -3.86 0.00 -2.54 2.81 -2.24 -1.24 -5.03 114.28 102.19 2ysb n THR 33 Ca -0.08 -0.23 -0.06 0.00 -2.27 0.00 0.00 64.05 61.41 2ysb n THR 33 Cb 0.80 0.40 0.03 0.00 -2.10 0.00 0.00 70.33 69.46 2ysb n THR 33 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2ysb n ASN 34 N -1.73 -2.37 -3.95 3.42 5.15 0.35 -5.06 115.26 111.07 2ysb n ASN 34 Ca -0.01 -0.18 -0.10 0.00 -0.60 0.00 0.00 54.58 53.69 2ysb n ASN 34 Cb 0.24 -1.86 -0.11 0.00 -0.53 0.00 0.00 39.78 37.52 2ysb n ASN 34 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2ysb s THR 35 N -3.10 0.11 0.16 -0.44 -4.23 -0.73 -4.93 115.64 102.47 2ysb s THR 35 Ca 0.05 -0.88 0.04 0.00 -1.18 0.00 0.00 61.69 59.72 2ysb s THR 35 Cb -0.02 -0.39 -0.04 0.00 1.34 0.00 0.00 72.50 73.39 2ysb s THR 35 CO 0.22 -0.48 0.19 0.42 -0.54 0.00 0.00 174.62 174.42 2ysb s THR 36 N -1.58 4.79 -0.09 3.99 -4.23 -1.26 0.82 115.64 118.08 2ysb s THR 36 Ca -0.14 -0.94 -0.04 0.00 -1.18 0.00 0.00 61.69 59.39 2ysb s THR 36 Cb -0.08 -3.46 0.05 0.00 1.34 0.00 0.00 72.50 70.35 2ysb s THR 36 CO -0.01 -0.10 0.18 -1.00 -0.54 0.00 0.00 174.62 173.15 2ysb s HIS 37 N -1.75 -0.23 0.22 3.99 3.76 0.68 -4.97 115.29 117.00 2ysb s HIS 37 Ca 0.32 0.64 -0.09 0.00 -0.15 0.00 0.00 55.06 55.78 2ysb s HIS 37 Cb -0.10 -0.12 0.18 0.00 1.11 0.00 0.00 32.58 33.65 2ysb s HIS 37 CO 0.25 -0.24 1.84 -1.49 -0.85 0.00 0.00 174.74 174.26 2ysb h TRP 38 N 7.74 1.12 -2.62 1.40 -0.00 -1.88 -1.79 115.95 119.91 2ysb h TRP 38 Ca -0.29 -0.02 -0.49 0.00 -0.00 0.00 0.00 58.89 58.08 2ysb h TRP 38 Cb 1.13 -0.36 -0.01 0.00 -0.00 0.00 0.00 29.16 29.92 2ysb h TRP 38 CO 0.41 0.77 -0.33 -1.54 -0.00 0.00 0.00 178.44 177.75 2ysb s SER 39 N -6.12 6.34 0.37 -3.49 1.04 -1.26 -4.66 113.70 105.92 2ysb s SER 39 Ca -0.13 0.31 -0.27 0.00 0.48 0.00 0.00 55.95 56.33 2ysb s SER 39 Cb 0.16 -1.97 -0.11 0.00 0.10 0.00 0.00 66.02 64.20 2ysb s SER 39 CO 0.81 -0.12 1.34 1.57 0.98 0.00 0.00 173.24 177.81 2ysb n HIS 40 N -1.22 2.43 0.32 5.02 -0.00 -1.26 -4.84 115.22 115.68 2ysb n HIS 40 Ca -0.06 0.51 0.15 0.00 0.46 0.00 0.00 57.72 58.79 2ysb n HIS 40 Cb 0.55 -2.44 0.63 0.00 -0.12 0.00 0.00 29.99 28.62 2ysb n HIS 40 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2ysb h PRO 41 N 2.54 0.00 0.00 1.57 0.13 -1.92 -2.81 132.00 131.52 2ysb h PRO 41 Ca -0.48 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.43 2ysb h PRO 41 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 2ysb h PRO 41 CO 0.62 0.00 -1.68 1.28 -0.23 0.00 0.00 178.00 178.00 2ysb n LEU 42 N -2.76 0.69 0.25 1.56 4.77 -1.26 -4.40 117.00 115.85 2ysb n LEU 42 Ca 0.01 0.31 -0.12 0.00 -0.03 0.00 0.00 56.01 56.18 2ysb n LEU 42 Cb 0.27 0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 2ysb n LEU 42 CO 0.24 0.26 0.37 -0.33 -1.33 0.00 0.00 177.39 176.60 2ysb h GLU 43 N 0.00 -0.66 -5.44 3.23 5.08 -1.87 -3.38 114.58 111.54 2ysb h GLU 43 Ca -0.25 0.05 -0.66 0.00 -1.00 0.00 0.00 59.36 57.50 2ysb h GLU 43 Cb 1.78 0.15 -0.14 0.00 0.50 0.00 0.00 28.75 31.03 2ysb h GLU 43 CO 0.05 -0.38 1.21 -1.12 -1.00 0.00 0.00 179.01 177.77 2ysb s SER 44 N -4.78 6.64 0.00 1.42 0.01 -1.15 -4.45 113.70 111.38 2ysb s SER 44 Ca -0.12 -1.95 0.00 0.00 1.31 0.00 0.00 55.95 55.19 2ysb s SER 44 Cb 0.01 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2ysb s SER 44 CO 0.40 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.46 2ysb n GLY 45 N 5.85 -1.20 2.62 3.44 0.00 -1.26 -4.91 105.19 109.73 2ysb n GLY 45 Ca 0.30 0.35 -0.22 0.00 0.00 0.00 0.00 46.02 46.44 2ysb n GLY 45 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ysb n PRO 46 N 0.00 -2.62 -4.71 1.61 -0.04 -1.26 -4.99 135.00 122.99 2ysb n PRO 46 Ca 0.00 -1.31 -0.31 0.00 -0.04 0.00 0.00 63.50 61.84 2ysb n PRO 46 Cb 0.00 -1.23 -0.17 0.00 -0.04 0.00 0.00 33.50 32.07 2ysb n PRO 46 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ysb s SER 47 N -3.70 2.87 -0.52 3.54 0.15 -1.26 -5.02 113.70 109.76 2ysb s SER 47 Ca 0.53 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.67 2ysb s SER 47 Cb -0.05 -1.32 0.44 0.00 -1.71 0.00 0.00 66.02 63.38 2ysb s SER 47 CO 0.41 0.07 1.62 -1.54 1.20 0.00 0.00 173.24 175.00 2ysb n SER 48 N 4.00 6.32 -0.43 5.45 3.41 -1.26 -5.35 113.62 125.76 2ysb n SER 48 Ca -0.20 -3.77 0.14 0.00 -0.26 0.00 0.00 58.87 54.78 2ysb n SER 48 Cb 0.52 -0.69 0.57 0.00 -0.26 0.00 0.00 64.21 64.34 2ysb n SER 48 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49