#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysb s SER 2 N 0.00 7.20 0.11 1.61 1.04 -1.26 -4.98 113.70 117.42 2ysb s SER 2 Ca 0.00 1.42 -0.22 0.00 0.48 0.00 0.00 55.95 57.63 2ysb s SER 2 Cb 0.00 -2.44 -0.05 0.00 0.10 0.00 0.00 66.02 63.63 2ysb s SER 2 CO 0.00 0.14 1.29 -0.24 0.98 0.00 0.00 173.24 175.42 2ysb n SER 3 N 2.20 -0.75 0.00 7.02 2.88 -1.26 -4.60 113.62 119.11 2ysb n SER 3 Ca -0.06 1.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.94 2ysb n SER 3 Cb 0.50 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 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 -1.18 -1.85 4.33 0.46 0.00 -1.26 -4.96 105.19 100.72 2ysb n GLY 4 Ca 0.01 0.85 -0.38 0.00 0.00 0.00 0.00 46.02 46.51 2ysb n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ysb n SER 5 N 0.00 -2.26 -0.05 1.61 3.41 -1.26 -4.83 113.62 110.23 2ysb n SER 5 Ca 0.00 -1.12 -0.14 0.00 -0.26 0.00 0.00 58.87 57.36 2ysb n SER 5 Cb 0.00 -2.29 -0.07 0.00 -0.26 0.00 0.00 64.21 61.59 2ysb n SER 5 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2ysb h SER 6 N -1.33 0.46 0.00 4.04 0.87 -1.95 -3.48 113.55 112.16 2ysb h SER 6 Ca -0.60 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 59.42 2ysb h SER 6 Cb 1.39 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2ysb h SER 6 CO 0.81 0.91 0.00 0.61 -0.53 0.00 0.00 176.83 178.62 2ysb n GLY 7 N 0.37 1.52 0.10 5.77 0.00 -1.26 -5.03 105.19 106.67 2ysb n GLY 7 Ca -0.07 -0.58 0.10 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.30 1.30 -3.78 1.61 -0.58 -1.26 -4.97 120.64 112.66 2ysb n GLU 8 Ca 0.00 -2.63 -0.31 0.00 -0.42 0.00 0.00 57.16 53.81 2ysb n GLU 8 Cb 0.00 -1.51 -0.06 0.00 -0.57 0.00 0.00 31.44 29.30 2ysb n GLU 8 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2ysb n ASP 9 N -1.42 -1.43 -4.36 1.62 2.03 -1.26 -4.79 116.55 106.94 2ysb n ASP 9 Ca 0.16 -0.83 -0.35 0.00 0.52 0.00 0.00 54.79 54.30 2ysb n ASP 9 Cb 0.64 -1.27 0.08 0.00 -0.72 0.00 0.00 41.12 39.86 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 -3.28 -0.95 -4.57 -2.67 4.77 -1.26 -4.76 117.00 104.28 2ysb n LEU 10 Ca 0.09 0.42 -0.28 0.00 -0.03 0.00 0.00 56.01 56.20 2ysb n LEU 10 Cb 0.39 -1.12 -0.06 0.00 -2.33 0.00 0.00 43.42 40.30 2ysb n LEU 10 CO 0.69 -3.89 1.45 -2.16 -1.33 0.00 0.00 177.39 172.15 2ysb s PRO 11 N -2.93 2.52 0.38 3.23 0.04 -1.26 -4.94 135.00 132.05 2ysb s PRO 11 Ca 0.57 -0.86 -0.24 0.00 0.04 0.00 0.00 61.00 60.52 2ysb s PRO 11 Cb -0.27 -5.18 -0.13 0.00 0.04 0.00 0.00 34.50 28.96 2ysb s PRO 11 CO 0.66 -3.76 0.58 1.28 0.04 0.00 0.00 177.00 175.80 2ysb n LEU 12 N 14.22 -0.03 -4.69 -3.56 4.77 -1.26 -4.94 117.00 121.51 2ysb n LEU 12 Ca 0.43 0.96 -0.29 0.00 -0.03 0.00 0.00 56.01 57.08 2ysb n LEU 12 Cb 0.47 -1.11 0.16 0.00 -2.33 0.00 0.00 43.42 40.61 2ysb n LEU 12 CO 0.65 -2.77 0.65 -2.16 -1.33 0.00 0.00 177.39 172.43 2ysb s PRO 13 N -1.50 0.67 -0.36 3.23 0.04 -1.26 -4.94 135.00 130.88 2ysb s PRO 13 Ca 0.63 0.61 -0.28 0.00 0.04 0.00 0.00 61.00 61.99 2ysb s PRO 13 Cb -0.65 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.12 2ysb s PRO 13 CO 0.58 -2.59 1.71 -1.25 0.04 0.00 0.00 177.00 175.49 2ysb s PRO 14 N -4.95 3.37 0.00 0.56 0.04 -1.26 -2.59 135.00 130.16 2ysb s PRO 14 Ca 0.65 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2ysb s PRO 14 Cb -0.18 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.19 2ysb s PRO 14 CO 0.57 -1.82 0.00 0.41 0.04 0.00 0.00 177.00 176.20 2ysb n GLY 15 N 5.35 1.43 3.94 0.56 0.00 -1.26 -4.95 105.19 110.27 2ysb n GLY 15 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.59 3.48 -0.21 1.61 0.52 -1.07 -1.98 118.94 119.71 2ysb s TRP 16 Ca 0.00 0.26 -0.10 0.00 0.02 0.00 0.00 56.10 56.28 2ysb s TRP 16 Cb 0.00 -1.80 0.08 0.00 -1.15 0.00 0.00 33.47 30.60 2ysb s TRP 16 CO 0.00 0.34 0.48 -1.54 0.02 0.00 0.00 176.95 176.24 2ysb s SER 17 N -3.54 -0.55 0.16 2.95 1.04 -0.24 -4.91 113.70 108.60 2ysb s SER 17 Ca 0.38 1.08 -0.10 0.00 0.48 0.00 0.00 55.95 57.79 2ysb s SER 17 Cb -0.10 1.20 -0.07 0.00 0.10 0.00 0.00 66.02 67.15 2ysb s SER 17 CO 0.31 -0.22 0.49 0.54 0.98 0.00 0.00 173.24 175.34 2ysb s VAL 18 N 1.99 4.99 -0.09 5.02 0.11 -1.26 -0.04 120.40 131.11 2ysb s VAL 18 Ca -0.07 0.48 -0.16 0.00 -2.93 0.00 0.00 61.98 59.31 2ysb s VAL 18 Cb -0.09 -3.65 0.04 0.00 -1.53 0.00 0.00 36.38 31.14 2ysb s VAL 18 CO -0.14 0.11 0.40 -1.81 -3.33 0.00 0.00 175.10 170.32 2ysb s ASP 19 N -2.08 -0.36 -0.20 3.54 1.01 -0.28 -4.97 116.67 113.34 2ysb s ASP 19 Ca 0.41 0.54 -0.12 0.00 0.71 0.00 0.00 52.55 54.09 2ysb s ASP 19 Cb -0.13 0.62 -0.05 0.00 1.01 0.00 0.00 42.92 44.37 2ysb s ASP 19 CO 0.20 -0.30 0.21 0.26 0.21 0.00 0.00 175.17 175.75 2ysb s TRP 20 N -0.50 3.40 0.78 4.23 0.51 -1.26 -1.95 118.94 124.16 2ysb s TRP 20 Ca -0.06 0.41 -0.12 0.00 -2.12 0.00 0.00 56.10 54.22 2ysb s TRP 20 Cb -0.04 -2.27 0.06 0.00 -0.81 0.00 0.00 33.47 30.42 2ysb s TRP 20 CO 0.03 0.21 1.12 0.95 -0.51 0.00 0.00 176.95 178.75 2ysb s THR 21 N 0.61 2.83 0.21 2.01 -4.23 -0.61 -4.89 115.64 111.57 2ysb s THR 21 Ca 0.11 0.27 -0.15 0.00 -1.18 0.00 0.00 61.69 60.74 2ysb s THR 21 Cb -0.12 -3.16 0.21 0.00 1.34 0.00 0.00 72.50 70.77 2ysb s THR 21 CO 0.02 -0.35 1.61 0.24 -0.54 0.00 0.00 174.62 175.60 2ysb h MET 22 N -0.99 -0.05 -0.36 3.99 2.86 -1.98 -0.63 114.93 117.77 2ysb h MET 22 Ca -0.47 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.26 2ysb h MET 22 Cb 1.29 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.88 2ysb h MET 22 CO 0.63 -0.03 -0.17 0.00 1.06 0.00 0.00 176.91 178.40 2ysb h ARG 23 N -0.05 -0.10 0.00 1.72 -0.00 -2.04 -3.46 114.38 110.45 2ysb h ARG 23 Ca 0.29 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.78 2ysb h ARG 23 Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.49 2ysb h ARG 23 CO -0.67 -0.07 0.00 0.41 0.00 0.00 0.00 179.97 179.65 2ysb n GLY 24 N -1.35 0.90 3.81 0.04 0.00 -0.24 -5.15 105.19 103.21 2ysb n GLY 24 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 3.27 -0.31 1.61 0.52 -1.26 -4.86 118.95 117.92 2ysb s ARG 25 Ca 0.00 -0.26 -0.15 0.00 -0.52 0.00 0.00 55.73 54.80 2ysb s ARG 25 Cb 0.00 -3.04 -0.02 0.00 0.52 0.00 0.00 34.95 32.41 2ysb s ARG 25 CO 0.00 0.74 0.38 0.21 0.02 0.00 0.00 175.30 176.65 2ysb s LYS 26 N -1.11 3.76 0.03 3.54 2.20 -1.26 -1.57 119.74 125.32 2ysb s LYS 26 Ca 0.16 -0.20 0.06 0.00 -0.36 0.00 0.00 55.97 55.63 2ysb s LYS 26 Cb -0.12 -3.74 -0.02 0.00 -1.51 0.00 0.00 37.83 32.44 2ysb s LYS 26 CO 0.05 -0.44 -0.19 1.52 -0.36 0.00 0.00 175.35 175.94 2ysb s TYR 27 N 2.09 1.67 -0.17 4.03 1.13 -0.82 -4.83 117.35 120.44 2ysb s TYR 27 Ca 0.14 -0.35 -0.08 0.00 -1.41 0.00 0.00 57.07 55.36 2ysb s TYR 27 Cb -0.16 -1.01 -0.05 0.00 -1.10 0.00 0.00 41.96 39.64 2ysb s TYR 27 CO 0.11 0.05 0.12 0.71 -2.51 0.00 0.00 175.55 174.03 2ysb s TYR 28 N -0.71 3.43 -0.12 -3.49 2.02 -0.82 -1.12 117.35 116.55 2ysb s TYR 28 Ca 0.06 0.35 -0.03 0.00 -0.37 0.00 0.00 57.07 57.08 2ysb s TYR 28 Cb -0.08 -2.07 -0.03 0.00 -0.40 0.00 0.00 41.96 39.37 2ysb s TYR 28 CO 0.01 0.41 0.01 0.42 -1.57 0.00 0.00 175.55 174.83 2ysb s ILE 29 N -0.08 4.39 -0.37 2.71 1.01 0.94 -1.05 121.20 128.75 2ysb s ILE 29 Ca 0.09 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.45 2ysb s ILE 29 Cb -0.11 -2.89 0.04 0.00 0.01 0.00 0.00 42.46 39.51 2ysb s ILE 29 CO 0.00 0.56 0.18 -0.62 0.00 0.00 0.00 174.94 175.06 2ysb s ASP 30 N -0.45 5.55 0.32 3.58 -1.08 0.14 -1.08 116.67 123.65 2ysb s ASP 30 Ca 0.08 -1.17 0.25 0.00 -0.52 0.00 0.00 52.55 51.20 2ysb s ASP 30 Cb -0.12 -1.95 0.62 0.00 -1.46 0.00 0.00 42.92 40.01 2ysb s ASP 30 CO 0.02 -0.40 1.71 0.45 0.52 0.00 0.00 175.17 177.47 2ysb h HIS 31 N 8.34 0.00 0.10 -5.34 3.86 -1.69 1.25 115.15 121.66 2ysb h HIS 31 Ca -0.24 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.69 2ysb h HIS 31 Cb 1.09 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.58 2ysb h HIS 31 CO 0.59 0.00 -1.18 -0.91 0.86 0.00 0.00 177.93 177.29 2ysb h ASN 32 N 0.00 0.72 0.00 2.45 2.35 -1.92 -3.35 115.58 115.82 2ysb h ASN 32 Ca 0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 56.30 55.09 2ysb h ASN 32 Cb 0.84 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2ysb h ASN 32 CO 0.00 1.48 -0.61 0.35 -1.65 0.00 0.00 177.43 177.00 2ysb n THR 33 N -3.73 0.00 -2.96 2.81 -2.24 -1.23 -5.03 114.28 101.90 2ysb n THR 33 Ca -0.11 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 2ysb n THR 33 Cb 0.96 0.83 0.06 0.00 -2.10 0.00 0.00 70.33 70.08 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 -1.33 -2.13 -4.00 3.42 3.02 0.42 -5.04 115.26 109.63 2ysb n ASN 34 Ca 0.01 -0.41 -0.09 0.00 -0.03 0.00 0.00 54.58 54.06 2ysb n ASN 34 Cb 0.14 -3.59 -0.10 0.00 -0.61 0.00 0.00 39.78 35.62 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 -3.24 0.15 0.17 3.41 -4.23 -0.83 -4.94 115.64 106.13 2ysb s THR 35 Ca 0.01 -1.20 0.06 0.00 -1.18 0.00 0.00 61.69 59.38 2ysb s THR 35 Cb -0.01 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 73.02 2ysb s THR 35 CO 0.49 -0.66 0.09 0.42 -0.54 0.00 0.00 174.62 174.42 2ysb s THR 36 N -2.42 4.20 -0.09 3.99 -4.23 -1.26 0.26 115.64 116.09 2ysb s THR 36 Ca -0.07 -1.24 -0.04 0.00 -1.18 0.00 0.00 61.69 59.17 2ysb s THR 36 Cb -0.03 -3.14 0.05 0.00 1.34 0.00 0.00 72.50 70.72 2ysb s THR 36 CO -0.04 -0.13 0.18 -1.00 -0.54 0.00 0.00 174.62 173.09 2ysb s HIS 37 N -1.78 -0.23 0.22 3.99 3.76 -0.21 -4.99 115.29 116.05 2ysb s HIS 37 Ca 0.30 0.65 -0.08 0.00 -0.15 0.00 0.00 55.06 55.78 2ysb s HIS 37 Cb -0.10 -0.13 0.19 0.00 1.11 0.00 0.00 32.58 33.66 2ysb s HIS 37 CO 0.22 -0.24 1.87 -1.49 -0.85 0.00 0.00 174.74 174.24 2ysb h TRP 38 N 7.82 1.15 -2.62 1.40 -0.00 -1.88 -2.17 115.95 119.65 2ysb h TRP 38 Ca -0.27 -0.01 -0.55 0.00 -0.00 0.00 0.00 58.89 58.06 2ysb h TRP 38 Cb 1.13 -0.37 -0.05 0.00 -0.00 0.00 0.00 29.16 29.87 2ysb h TRP 38 CO 0.41 0.77 -0.52 -1.54 -0.00 0.00 0.00 178.44 177.56 2ysb s SER 39 N -6.11 5.91 0.33 -3.49 1.04 -1.26 -4.68 113.70 105.43 2ysb s SER 39 Ca -0.13 0.01 -0.27 0.00 0.48 0.00 0.00 55.95 56.04 2ysb s SER 39 Cb 0.16 -1.66 -0.13 0.00 0.10 0.00 0.00 66.02 64.49 2ysb s SER 39 CO 0.81 0.06 1.12 1.57 0.98 0.00 0.00 173.24 177.78 2ysb n HIS 40 N -0.47 1.64 0.29 5.02 -0.00 -1.26 -4.87 115.22 115.57 2ysb n HIS 40 Ca -0.08 0.62 0.17 0.00 0.46 0.00 0.00 57.72 58.90 2ysb n HIS 40 Cb 0.54 -2.31 0.71 0.00 -0.12 0.00 0.00 29.99 28.81 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 2.13 0.00 0.00 1.57 0.13 -1.92 -2.90 132.00 131.01 2ysb h PRO 41 Ca -0.43 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.44 2ysb h PRO 41 Cb 1.32 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.40 2ysb h PRO 41 CO 0.61 0.00 -1.73 1.28 -0.23 0.00 0.00 178.00 177.93 2ysb n LEU 42 N -3.06 0.72 0.47 1.56 4.77 -1.26 -4.11 117.00 116.09 2ysb n LEU 42 Ca 0.00 0.33 -0.20 0.00 -0.03 0.00 0.00 56.01 56.12 2ysb n LEU 42 Cb 0.29 0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 41.47 2ysb n LEU 42 CO 0.27 0.32 0.57 -0.33 -1.33 0.00 0.00 177.39 176.89 2ysb h GLU 43 N 0.00 -1.14 -5.56 3.23 4.39 -1.88 -3.20 114.58 110.42 2ysb h GLU 43 Ca -0.28 0.08 -0.64 0.00 0.34 0.00 0.00 59.36 58.85 2ysb h GLU 43 Cb 1.90 0.26 -0.14 0.00 -0.10 0.00 0.00 28.75 30.66 2ysb h GLU 43 CO 0.06 -0.75 0.26 0.45 -1.16 0.00 0.00 179.01 177.86 2ysb s SER 44 N -4.17 6.35 -0.50 1.42 0.15 -1.21 -4.57 113.70 111.17 2ysb s SER 44 Ca -0.19 -0.32 -0.30 0.00 0.70 0.00 0.00 55.95 55.84 2ysb s SER 44 Cb 0.02 -2.36 0.04 0.00 -1.71 0.00 0.00 66.02 62.02 2ysb s SER 44 CO 0.60 -0.90 0.65 0.61 1.20 0.00 0.00 173.24 175.40 2ysb n GLY 45 N 5.04 -0.27 0.07 9.45 0.00 -1.26 -4.89 105.19 113.33 2ysb n GLY 45 Ca -0.00 1.11 -0.13 0.00 0.00 0.00 0.00 46.02 46.99 2ysb n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysb h PRO 46 N 1.77 0.06 -6.70 1.61 0.13 -1.70 -3.46 132.00 123.71 2ysb h PRO 46 Ca -0.47 -0.03 -0.54 0.00 -0.87 0.00 0.00 66.00 64.08 2ysb h PRO 46 Cb 1.33 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.29 2ysb h PRO 46 CO 0.24 0.53 -0.85 0.43 -0.23 0.00 0.00 178.00 178.12 2ysb n SER 47 N -4.80 -2.46 -0.10 1.44 7.64 -1.26 -4.87 113.62 109.21 2ysb n SER 47 Ca -0.08 -1.02 -0.15 0.00 1.01 0.00 0.00 58.87 58.63 2ysb n SER 47 Cb 0.27 -2.79 -0.06 0.00 -1.01 0.00 0.00 64.21 60.62 2ysb n SER 47 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2ysb n SER 48 N -2.74 1.90 0.00 6.43 2.88 -1.26 -5.22 113.62 115.61 2ysb n SER 48 Ca -0.03 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 2ysb n SER 48 Cb 0.55 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 2ysb n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42