#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 1.32 -4.56 1.61 2.88 -1.26 -4.90 113.62 108.71 2ysb n SER 2 Ca 0.00 0.19 -0.32 0.00 -1.33 0.00 0.00 58.87 57.41 2ysb n SER 2 Cb 0.00 -0.44 -0.04 0.00 -0.75 0.00 0.00 64.21 62.97 2ysb n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2ysb s SER 3 N -5.97 5.44 0.00 -3.46 0.01 -1.26 -4.15 113.70 104.32 2ysb s SER 3 Ca -0.08 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.54 2ysb s SER 3 Cb 0.01 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2ysb s SER 3 CO 0.12 -2.44 0.00 0.61 0.41 0.00 0.00 173.24 171.94 2ysb n GLY 4 N 6.61 0.74 3.63 3.44 0.00 -1.26 -5.17 105.19 113.18 2ysb n GLY 4 Ca 0.34 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 2ysb n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ysb s SER 5 N 0.00 -0.72 -0.01 1.61 1.04 -1.26 -4.65 113.70 109.71 2ysb s SER 5 Ca 0.00 1.31 0.02 0.00 0.48 0.00 0.00 55.95 57.76 2ysb s SER 5 Cb 0.00 1.32 -0.03 0.00 0.10 0.00 0.00 66.02 67.41 2ysb s SER 5 CO 0.00 -0.22 -0.06 -0.44 0.98 0.00 0.00 173.24 173.50 2ysb s SER 6 N 0.67 4.72 0.58 7.02 0.01 -1.26 -5.01 113.70 120.43 2ysb s SER 6 Ca -0.02 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2ysb s SER 6 Cb -0.05 -1.15 0.00 0.00 0.21 0.00 0.00 66.02 65.04 2ysb s SER 6 CO -0.06 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2ysb n GLY 7 N 1.67 -3.72 0.27 3.44 0.00 -1.26 -4.83 105.19 100.77 2ysb n GLY 7 Ca -0.16 -0.82 0.03 0.00 0.00 0.00 0.00 46.02 45.07 2ysb n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ysb n GLU 8 N -2.98 0.63 -3.11 1.61 4.71 -1.26 -4.98 120.64 115.26 2ysb n GLU 8 Ca -0.02 -1.10 -0.14 0.00 -0.01 0.00 0.00 57.16 55.89 2ysb n GLU 8 Cb 0.51 -1.13 -0.03 0.00 -1.01 0.00 0.00 31.44 29.79 2ysb n GLU 8 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2ysb n ASP 9 N 0.27 -1.24 -3.93 1.62 2.03 -1.26 -4.77 116.55 109.27 2ysb n ASP 9 Ca 0.04 -0.09 -0.36 0.00 0.52 0.00 0.00 54.79 54.91 2ysb n ASP 9 Cb 0.20 -1.16 0.02 0.00 -0.72 0.00 0.00 41.12 39.46 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 -2.93 -4.49 -4.58 -2.67 4.77 -1.26 -4.66 117.00 101.18 2ysb n LEU 10 Ca 0.04 0.42 -0.28 0.00 -0.03 0.00 0.00 56.01 56.16 2ysb n LEU 10 Cb 0.47 -0.77 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 2ysb n LEU 10 CO 0.32 -5.08 1.50 -2.16 -1.33 0.00 0.00 177.39 170.63 2ysb s PRO 11 N -1.37 2.47 0.45 3.23 0.04 -1.26 -4.94 135.00 133.62 2ysb s PRO 11 Ca 0.47 -1.16 -0.20 0.00 0.04 0.00 0.00 61.00 60.14 2ysb s PRO 11 Cb -0.34 -5.24 -0.14 0.00 0.04 0.00 0.00 34.50 28.82 2ysb s PRO 11 CO 0.70 -4.02 0.21 1.28 0.04 0.00 0.00 177.00 175.21 2ysb n LEU 12 N 14.48 -1.89 -4.68 -3.56 4.77 -1.26 -4.93 117.00 119.92 2ysb n LEU 12 Ca 0.45 0.80 -0.29 0.00 -0.03 0.00 0.00 56.01 56.94 2ysb n LEU 12 Cb 0.47 -0.97 0.17 0.00 -2.33 0.00 0.00 43.42 40.76 2ysb n LEU 12 CO 0.68 -3.86 0.65 -2.16 -1.33 0.00 0.00 177.39 171.36 2ysb s PRO 13 N -1.27 0.57 -0.50 3.23 0.04 -1.26 -4.93 135.00 130.89 2ysb s PRO 13 Ca 0.61 0.58 -0.27 0.00 0.04 0.00 0.00 61.00 61.95 2ysb s PRO 13 Cb -0.58 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 2ysb s PRO 13 CO 0.61 -2.65 1.79 -1.25 0.04 0.00 0.00 177.00 175.55 2ysb s PRO 14 N -4.96 2.96 0.00 0.56 0.04 -1.26 -2.50 135.00 129.85 2ysb s PRO 14 Ca 0.65 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2ysb s PRO 14 Cb -0.18 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2ysb s PRO 14 CO 0.57 -2.32 0.00 0.41 0.04 0.00 0.00 177.00 175.71 2ysb n GLY 15 N 5.54 0.55 3.69 0.56 0.00 -1.26 -4.93 105.19 109.34 2ysb n GLY 15 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.49 2.95 -0.19 1.61 0.52 -1.04 -0.79 118.94 120.51 2ysb s TRP 16 Ca 0.00 -0.07 -0.09 0.00 0.02 0.00 0.00 56.10 55.96 2ysb s TRP 16 Cb 0.00 -1.46 0.07 0.00 -1.15 0.00 0.00 33.47 30.93 2ysb s TRP 16 CO 0.00 0.50 0.43 -1.54 0.02 0.00 0.00 176.95 176.36 2ysb s SER 17 N -2.70 -0.46 0.25 2.95 1.04 -0.45 -4.88 113.70 109.45 2ysb s SER 17 Ca 0.27 0.98 -0.07 0.00 0.48 0.00 0.00 55.95 57.61 2ysb s SER 17 Cb -0.10 1.04 -0.06 0.00 0.10 0.00 0.00 66.02 66.99 2ysb s SER 17 CO 0.19 -0.21 0.53 0.54 0.98 0.00 0.00 173.24 175.27 2ysb s VAL 18 N 1.88 5.00 -0.11 5.02 0.11 -1.26 0.12 120.40 131.15 2ysb s VAL 18 Ca -0.07 0.25 -0.22 0.00 -2.93 0.00 0.00 61.98 59.01 2ysb s VAL 18 Cb -0.10 -3.67 0.05 0.00 -1.53 0.00 0.00 36.38 31.14 2ysb s VAL 18 CO -0.13 -0.17 0.54 -0.62 -3.33 0.00 0.00 175.10 171.39 2ysb s ASP 19 N -2.71 -0.52 -0.20 3.54 2.15 -0.37 -4.95 116.67 113.61 2ysb s ASP 19 Ca 0.45 0.75 -0.10 0.00 0.43 0.00 0.00 52.55 54.08 2ysb s ASP 19 Cb -0.11 0.75 -0.05 0.00 -0.30 0.00 0.00 42.92 43.21 2ysb s ASP 19 CO 0.25 -0.39 0.13 0.26 -0.17 0.00 0.00 175.17 175.25 2ysb s TRP 20 N -0.58 3.38 0.72 -5.34 0.51 -1.26 -2.02 118.94 114.35 2ysb s TRP 20 Ca -0.07 0.28 -0.09 0.00 -2.12 0.00 0.00 56.10 54.11 2ysb s TRP 20 Cb -0.03 -2.17 0.05 0.00 -0.81 0.00 0.00 33.47 30.52 2ysb s TRP 20 CO 0.05 0.24 1.06 0.95 -0.51 0.00 0.00 176.95 178.73 2ysb s THR 21 N 0.48 2.50 0.15 2.01 -4.23 -0.82 -4.90 115.64 110.83 2ysb s THR 21 Ca 0.07 -0.07 -0.31 0.00 -1.18 0.00 0.00 61.69 60.21 2ysb s THR 21 Cb -0.12 -3.11 -0.07 0.00 1.34 0.00 0.00 72.50 70.55 2ysb s THR 21 CO -0.01 -0.13 1.55 -0.03 -0.54 0.00 0.00 174.62 175.46 2ysb h MET 22 N -0.70 -0.25 -0.87 3.99 1.85 -1.99 0.11 114.93 117.08 2ysb h MET 22 Ca -0.45 0.02 0.23 0.00 -0.61 0.00 0.00 59.70 58.88 2ysb h MET 22 Cb 1.31 0.06 -0.15 0.00 0.43 0.00 0.00 31.60 33.24 2ysb h MET 22 CO 0.63 -0.17 0.12 0.00 -0.40 0.00 0.00 176.91 177.09 2ysb h ARG 23 N -0.26 0.12 0.00 0.39 2.47 -2.05 -3.45 114.38 111.61 2ysb h ARG 23 Ca 0.12 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 2ysb h ARG 23 Cb 0.54 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 2ysb h ARG 23 CO -0.71 0.08 0.00 0.41 0.56 0.00 0.00 179.97 180.31 2ysb n GLY 24 N -1.42 1.88 3.88 0.04 0.00 0.39 -5.14 105.19 104.83 2ysb n GLY 24 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 3.42 -0.41 1.61 0.52 -1.25 -4.86 118.95 117.98 2ysb s ARG 25 Ca 0.00 -0.16 -0.18 0.00 -0.52 0.00 0.00 55.73 54.87 2ysb s ARG 25 Cb 0.00 -3.17 0.02 0.00 0.52 0.00 0.00 34.95 32.32 2ysb s ARG 25 CO 0.00 0.76 0.47 0.21 0.02 0.00 0.00 175.30 176.76 2ysb s LYS 26 N -1.14 3.21 0.00 3.54 2.20 -1.26 -1.95 119.74 124.33 2ysb s LYS 26 Ca 0.17 -0.62 0.08 0.00 -0.36 0.00 0.00 55.97 55.23 2ysb s LYS 26 Cb -0.12 -3.94 -0.02 0.00 -1.51 0.00 0.00 37.83 32.24 2ysb s LYS 26 CO 0.06 -0.83 -0.24 1.52 -0.36 0.00 0.00 175.35 175.50 2ysb s TYR 27 N 2.25 2.15 -0.11 4.03 1.13 -0.86 -4.80 117.35 121.15 2ysb s TYR 27 Ca 0.14 -0.40 -0.09 0.00 -1.41 0.00 0.00 57.07 55.30 2ysb s TYR 27 Cb -0.16 -1.35 -0.05 0.00 -1.10 0.00 0.00 41.96 39.30 2ysb s TYR 27 CO 0.14 0.01 0.20 0.71 -2.51 0.00 0.00 175.55 174.11 2ysb s TYR 28 N -0.64 3.59 -0.11 -3.49 1.51 -0.01 -1.24 117.35 116.96 2ysb s TYR 28 Ca 0.10 0.60 -0.03 0.00 -1.01 0.00 0.00 57.07 56.73 2ysb s TYR 28 Cb -0.09 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.65 2ysb s TYR 28 CO 0.00 0.61 0.00 0.42 -1.11 0.00 0.00 175.55 175.48 2ysb s ILE 29 N -0.71 4.28 -0.37 2.71 1.01 0.12 -0.11 121.20 128.13 2ysb s ILE 29 Ca 0.16 -0.25 -0.09 0.00 0.00 0.00 0.00 60.65 60.47 2ysb s ILE 29 Cb -0.13 -2.82 0.05 0.00 0.01 0.00 0.00 42.46 39.56 2ysb s ILE 29 CO 0.05 0.57 0.18 -1.81 0.00 0.00 0.00 174.94 173.94 2ysb s ASP 30 N -0.57 5.55 0.39 3.58 1.01 0.25 -1.34 116.67 125.55 2ysb s ASP 30 Ca 0.09 -1.20 0.21 0.00 0.71 0.00 0.00 52.55 52.37 2ysb s ASP 30 Cb -0.12 -1.95 0.41 0.00 1.01 0.00 0.00 42.92 42.26 2ysb s ASP 30 CO 0.02 -0.41 1.61 0.45 0.21 0.00 0.00 175.17 177.06 2ysb h HIS 31 N 8.34 0.00 0.08 4.23 3.86 -1.25 1.41 115.15 131.83 2ysb h HIS 31 Ca -0.24 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.72 2ysb h HIS 31 Cb 1.09 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.55 2ysb h HIS 31 CO 0.59 0.21 -1.14 -0.91 0.86 0.00 0.00 177.93 177.54 2ysb h ASN 32 N 0.00 0.33 -0.00 2.45 2.35 -1.92 -3.33 115.58 115.45 2ysb h ASN 32 Ca -0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 2ysb h ASN 32 Cb 1.06 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.33 2ysb h ASN 32 CO 0.03 1.24 -0.35 0.35 -1.65 0.00 0.00 177.43 177.05 2ysb n THR 33 N -3.52 0.00 -3.61 2.81 -2.24 -1.21 -5.00 114.28 101.50 2ysb n THR 33 Ca -0.06 -0.33 -0.23 0.00 -2.27 0.00 0.00 64.05 61.16 2ysb n THR 33 Cb 0.97 1.05 0.07 0.00 -2.10 0.00 0.00 70.33 70.33 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 -0.80 -5.31 -4.02 3.42 4.13 0.48 -5.00 115.26 108.16 2ysb n ASN 34 Ca 0.03 -0.59 -0.08 0.00 1.68 0.00 0.00 54.58 55.62 2ysb n ASN 34 Cb 0.18 -4.90 -0.11 0.00 -1.54 0.00 0.00 39.78 33.41 2ysb n ASN 34 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2ysb s THR 35 N -3.34 0.15 0.30 3.41 -4.23 -0.74 -4.93 115.64 106.26 2ysb s THR 35 Ca 0.48 -1.20 0.06 0.00 -1.18 0.00 0.00 61.69 59.86 2ysb s THR 35 Cb -0.21 -0.66 -0.02 0.00 1.34 0.00 0.00 72.50 72.94 2ysb s THR 35 CO 0.74 -0.66 0.36 0.42 -0.54 0.00 0.00 174.62 174.95 2ysb s THR 36 N -2.24 4.32 -0.18 3.99 -4.23 -1.26 0.88 115.64 116.92 2ysb s THR 36 Ca -0.09 -1.14 -0.10 0.00 -1.18 0.00 0.00 61.69 59.19 2ysb s THR 36 Cb -0.04 -3.48 0.06 0.00 1.34 0.00 0.00 72.50 70.38 2ysb s THR 36 CO -0.04 -0.23 0.44 -1.00 -0.54 0.00 0.00 174.62 173.25 2ysb s HIS 37 N -2.15 -0.67 0.36 3.99 3.76 0.84 -4.94 115.29 116.48 2ysb s HIS 37 Ca 0.39 1.39 0.12 0.00 -0.15 0.00 0.00 55.06 56.82 2ysb s HIS 37 Cb -0.08 0.31 0.67 0.00 1.11 0.00 0.00 32.58 34.58 2ysb s HIS 37 CO 0.29 -0.37 1.80 -1.49 -0.85 0.00 0.00 174.74 174.11 2ysb h TRP 38 N 7.21 0.05 -1.71 1.40 -0.00 -1.87 0.00 115.95 121.03 2ysb h TRP 38 Ca -0.34 -0.01 -0.45 0.00 -0.00 0.00 0.00 58.89 58.09 2ysb h TRP 38 Cb 1.18 -0.01 0.00 0.00 -0.00 0.00 0.00 29.16 30.33 2ysb h TRP 38 CO 0.23 0.42 -0.34 -1.12 -0.00 0.00 0.00 178.44 177.63 2ysb s SER 39 N -6.92 5.76 0.28 -3.49 0.01 -1.26 -4.72 113.70 103.36 2ysb s SER 39 Ca -0.03 -0.31 -0.29 0.00 1.31 0.00 0.00 55.95 56.63 2ysb s SER 39 Cb 0.14 -1.03 -0.09 0.00 0.21 0.00 0.00 66.02 65.25 2ysb s SER 39 CO 0.73 -0.51 1.05 -2.28 0.41 0.00 0.00 173.24 172.64 2ysb s HIS 40 N -2.25 3.68 0.28 2.43 2.46 -1.26 -4.74 115.29 115.88 2ysb s HIS 40 Ca 0.47 1.76 0.17 0.00 0.47 0.00 0.00 55.06 57.93 2ysb s HIS 40 Cb -0.09 -3.18 0.75 0.00 -0.13 0.00 0.00 32.58 29.94 2ysb s HIS 40 CO 0.31 -0.25 1.79 -1.00 -2.47 0.00 0.00 174.74 173.12 2ysb h PRO 41 N 3.79 0.00 0.00 2.88 0.13 -1.95 -3.02 132.00 133.84 2ysb h PRO 41 Ca -0.46 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.43 2ysb h PRO 41 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2ysb h PRO 41 CO 0.67 0.37 -1.33 -0.07 -0.23 0.00 0.00 178.00 177.41 2ysb h LEU 42 N 0.00 0.00 0.56 1.56 3.38 -1.96 -3.38 115.31 115.47 2ysb h LEU 42 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2ysb h LEU 42 Cb 0.78 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 2ysb h LEU 42 CO 0.05 0.93 -0.46 -0.33 0.09 0.00 0.00 178.44 178.72 2ysb h GLU 43 N 0.00 -0.96 -4.05 1.13 5.08 -1.93 -3.41 114.58 110.44 2ysb h GLU 43 Ca -0.15 0.07 -0.55 0.00 -1.00 0.00 0.00 59.36 57.72 2ysb h GLU 43 Cb 1.84 0.22 -0.38 0.00 0.50 0.00 0.00 28.75 30.92 2ysb h GLU 43 CO 0.09 -0.64 -0.78 0.45 -1.00 0.00 0.00 179.01 177.13 2ysb s SER 44 N -4.37 2.97 0.00 1.42 0.15 -1.22 -5.00 113.70 107.65 2ysb s SER 44 Ca -0.18 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 55.71 2ysb s SER 44 Cb 0.04 -0.87 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 2ysb s SER 44 CO 0.61 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.44 2ysb n GLY 45 N 4.89 -1.01 3.72 9.45 0.00 -1.26 -4.79 105.19 116.19 2ysb n GLY 45 Ca -0.11 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 2ysb n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ysb s PRO 46 N 0.00 1.38 0.14 1.61 0.04 -1.26 -4.98 135.00 131.94 2ysb s PRO 46 Ca 0.00 0.87 -0.30 0.00 0.04 0.00 0.00 61.00 61.60 2ysb s PRO 46 Cb 0.00 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.64 2ysb s PRO 46 CO 0.00 -2.17 1.26 0.45 0.04 0.00 0.00 177.00 176.58 2ysb s SER 47 N -3.41 6.99 -0.07 6.66 0.15 -1.26 -4.93 113.70 117.83 2ysb s SER 47 Ca 0.63 2.23 -0.06 0.00 0.70 0.00 0.00 55.95 59.46 2ysb s SER 47 Cb -0.18 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.50 2ysb s SER 47 CO 0.57 -0.49 -0.13 -1.20 1.20 0.00 0.00 173.24 173.19 2ysb n SER 48 N 3.18 0.98 0.00 5.45 7.64 -1.26 -5.28 113.62 124.33 2ysb n SER 48 Ca 0.07 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2ysb n SER 48 Cb 0.44 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2ysb n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64