#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 5.65 -0.31 1.61 0.01 -1.26 -5.05 113.70 114.35 2ysb s SER 2 Ca 0.00 -0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.10 2ysb s SER 2 Cb 0.00 -2.04 0.09 0.00 0.21 0.00 0.00 66.02 64.28 2ysb s SER 2 CO 0.00 -0.08 0.03 -0.55 0.41 0.00 0.00 173.24 173.05 2ysb s SER 3 N 1.69 4.40 0.77 2.44 0.15 -1.26 -5.11 113.70 116.78 2ysb s SER 3 Ca 0.06 -1.81 -0.15 0.00 0.70 0.00 0.00 55.95 54.75 2ysb s SER 3 Cb -0.16 -1.35 0.01 0.00 -1.71 0.00 0.00 66.02 62.80 2ysb s SER 3 CO 0.08 -0.35 0.77 0.61 1.20 0.00 0.00 173.24 175.55 2ysb n GLY 4 N 4.49 -0.98 0.09 9.45 0.00 -1.26 -4.98 105.19 112.00 2ysb n GLY 4 Ca -0.01 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.40 1.91 -4.20 1.61 2.88 -1.26 -4.94 113.62 108.22 2ysb n SER 5 Ca 0.11 0.41 -0.60 0.00 -1.33 0.00 0.00 58.87 57.46 2ysb n SER 5 Cb 0.50 -0.79 -0.09 0.00 -0.75 0.00 0.00 64.21 63.08 2ysb n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ysb n SER 6 N -4.47 1.00 -1.44 -3.46 7.64 -1.26 -3.06 113.62 108.56 2ysb n SER 6 Ca -0.18 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.67 2ysb n SER 6 Cb 0.51 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 2ysb n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ysb n GLY 7 N 4.36 -0.35 1.12 0.23 0.00 -1.26 -4.93 105.19 104.36 2ysb n GLY 7 Ca 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.84 1.76 -3.36 1.61 1.02 -1.17 -4.84 120.64 114.81 2ysb n GLU 8 Ca 0.00 -0.89 -0.20 0.00 -0.02 0.00 0.00 57.16 56.05 2ysb n GLU 8 Cb 0.36 -1.54 -0.04 0.00 -0.02 0.00 0.00 31.44 30.21 2ysb n GLU 8 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2ysb n ASP 9 N 0.11 -1.33 -4.23 1.62 2.03 -1.26 -4.79 116.55 108.70 2ysb n ASP 9 Ca 0.12 -0.32 -0.36 0.00 0.52 0.00 0.00 54.79 54.75 2ysb n ASP 9 Cb 0.68 -1.23 0.05 0.00 -0.72 0.00 0.00 41.12 39.90 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 -3.10 -3.01 -4.58 -2.67 4.77 -1.26 -4.71 117.00 102.44 2ysb n LEU 10 Ca 0.05 0.41 -0.28 0.00 -0.03 0.00 0.00 56.01 56.16 2ysb n LEU 10 Cb 0.45 -0.96 -0.06 0.00 -2.33 0.00 0.00 43.42 40.53 2ysb n LEU 10 CO 0.44 -4.71 1.48 -2.16 -1.33 0.00 0.00 177.39 171.11 2ysb s PRO 11 N -2.20 2.51 0.36 3.23 0.04 -1.26 -4.94 135.00 132.74 2ysb s PRO 11 Ca 0.52 -1.03 -0.24 0.00 0.04 0.00 0.00 61.00 60.29 2ysb s PRO 11 Cb -0.30 -5.22 -0.14 0.00 0.04 0.00 0.00 34.50 28.89 2ysb s PRO 11 CO 0.71 -3.88 0.55 1.28 0.04 0.00 0.00 177.00 175.69 2ysb n LEU 12 N 14.31 -0.36 -4.69 -3.56 4.77 -1.26 -4.94 117.00 121.27 2ysb n LEU 12 Ca 0.44 0.97 -0.29 0.00 -0.03 0.00 0.00 56.01 57.10 2ysb n LEU 12 Cb 0.47 -1.08 0.17 0.00 -2.33 0.00 0.00 43.42 40.64 2ysb n LEU 12 CO 0.66 -2.87 0.65 -2.16 -1.33 0.00 0.00 177.39 172.34 2ysb s PRO 13 N -1.40 0.64 -0.38 3.23 0.04 -1.26 -4.93 135.00 130.94 2ysb s PRO 13 Ca 0.62 0.61 -0.28 0.00 0.04 0.00 0.00 61.00 61.98 2ysb s PRO 13 Cb -0.68 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 2ysb s PRO 13 CO 0.59 -2.61 1.71 -1.25 0.04 0.00 0.00 177.00 175.48 2ysb s PRO 14 N -4.95 3.32 0.00 0.56 0.04 -1.26 -2.62 135.00 130.09 2ysb s PRO 14 Ca 0.65 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2ysb s PRO 14 Cb -0.18 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.18 2ysb s PRO 14 CO 0.57 -1.88 0.00 0.41 0.04 0.00 0.00 177.00 176.15 2ysb n GLY 15 N 5.37 1.51 3.92 0.56 0.00 -1.26 -4.95 105.19 110.34 2ysb n GLY 15 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.41 3.48 -0.20 1.61 0.52 -1.08 -2.24 118.94 119.63 2ysb s TRP 16 Ca 0.00 0.44 -0.08 0.00 0.02 0.00 0.00 56.10 56.48 2ysb s TRP 16 Cb 0.00 -1.95 0.08 0.00 -1.15 0.00 0.00 33.47 30.45 2ysb s TRP 16 CO 0.00 0.26 0.44 -1.54 0.02 0.00 0.00 176.95 176.13 2ysb s SER 17 N -3.33 -0.43 0.18 2.95 1.04 -0.29 -4.91 113.70 108.90 2ysb s SER 17 Ca 0.41 1.01 -0.10 0.00 0.48 0.00 0.00 55.95 57.75 2ysb s SER 17 Cb -0.11 1.18 -0.07 0.00 0.10 0.00 0.00 66.02 67.13 2ysb s SER 17 CO 0.31 -0.22 0.50 0.54 0.98 0.00 0.00 173.24 175.35 2ysb s VAL 18 N 2.12 4.98 -0.09 5.02 0.11 -1.26 0.01 120.40 131.29 2ysb s VAL 18 Ca -0.05 0.46 -0.17 0.00 -2.93 0.00 0.00 61.98 59.29 2ysb s VAL 18 Cb -0.10 -3.64 0.04 0.00 -1.53 0.00 0.00 36.38 31.14 2ysb s VAL 18 CO -0.13 0.06 0.41 -0.62 -3.33 0.00 0.00 175.10 171.48 2ysb s ASP 19 N -2.17 -0.37 -0.20 3.54 2.15 -0.33 -4.96 116.67 114.33 2ysb s ASP 19 Ca 0.43 0.54 -0.12 0.00 0.43 0.00 0.00 52.55 53.82 2ysb s ASP 19 Cb -0.12 0.61 -0.05 0.00 -0.30 0.00 0.00 42.92 43.06 2ysb s ASP 19 CO 0.21 -0.32 0.22 0.26 -0.17 0.00 0.00 175.17 175.36 2ysb s TRP 20 N -0.56 3.39 0.78 -5.34 0.51 -1.26 -1.92 118.94 114.53 2ysb s TRP 20 Ca -0.07 0.40 -0.12 0.00 -2.12 0.00 0.00 56.10 54.19 2ysb s TRP 20 Cb -0.04 -2.29 0.06 0.00 -0.81 0.00 0.00 33.47 30.39 2ysb s TRP 20 CO 0.03 0.16 1.14 0.95 -0.51 0.00 0.00 176.95 178.72 2ysb s THR 21 N 0.75 2.61 0.16 2.01 -4.23 -0.47 -4.88 115.64 111.58 2ysb s THR 21 Ca 0.11 0.20 -0.25 0.00 -1.18 0.00 0.00 61.69 60.57 2ysb s THR 21 Cb -0.13 -3.16 0.03 0.00 1.34 0.00 0.00 72.50 70.59 2ysb s THR 21 CO 0.03 -0.26 1.58 -0.03 -0.54 0.00 0.00 174.62 175.40 2ysb h MET 22 N -0.95 -0.27 -0.89 3.99 4.05 -1.98 0.44 114.93 119.31 2ysb h MET 22 Ca -0.46 0.02 0.23 0.00 -0.28 0.00 0.00 59.70 59.20 2ysb h MET 22 Cb 1.30 0.06 -0.13 0.00 -0.80 0.00 0.00 31.60 32.03 2ysb h MET 22 CO 0.64 -0.18 0.36 -0.09 0.23 0.00 0.00 176.91 177.87 2ysb h ARG 23 N -0.28 0.34 0.00 0.39 9.65 -2.05 -3.45 114.38 118.98 2ysb h ARG 23 Ca 0.16 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 2ysb h ARG 23 Cb 0.57 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 2ysb h ARG 23 CO -0.57 0.22 0.00 0.41 2.80 0.00 0.00 179.97 182.83 2ysb n GLY 24 N -1.34 1.78 3.74 2.80 0.00 0.15 -5.14 105.19 107.17 2ysb n GLY 24 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 3.07 -0.29 1.61 0.52 -1.25 -4.86 118.95 117.74 2ysb s ARG 25 Ca 0.00 -0.38 -0.15 0.00 -0.52 0.00 0.00 55.73 54.67 2ysb s ARG 25 Cb 0.00 -2.87 -0.03 0.00 0.52 0.00 0.00 34.95 32.57 2ysb s ARG 25 CO 0.00 0.70 0.38 0.21 0.02 0.00 0.00 175.30 176.61 2ysb s LYS 26 N -1.11 3.87 0.01 3.54 2.20 -1.26 -1.37 119.74 125.61 2ysb s LYS 26 Ca 0.16 -0.09 0.05 0.00 -0.36 0.00 0.00 55.97 55.73 2ysb s LYS 26 Cb -0.12 -3.71 -0.02 0.00 -1.51 0.00 0.00 37.83 32.48 2ysb s LYS 26 CO 0.05 -0.37 -0.16 1.52 -0.36 0.00 0.00 175.35 176.03 2ysb s TYR 27 N 2.09 1.42 -0.15 4.03 1.13 -0.81 -4.84 117.35 120.22 2ysb s TYR 27 Ca 0.14 -0.30 -0.10 0.00 -1.41 0.00 0.00 57.07 55.40 2ysb s TYR 27 Cb -0.16 -0.89 -0.05 0.00 -1.10 0.00 0.00 41.96 39.76 2ysb s TYR 27 CO 0.11 0.00 0.19 0.71 -2.51 0.00 0.00 175.55 174.05 2ysb s TYR 28 N -0.52 3.50 -0.12 -3.49 2.02 -0.76 -1.18 117.35 116.80 2ysb s TYR 28 Ca 0.05 0.50 -0.04 0.00 -0.37 0.00 0.00 57.07 57.22 2ysb s TYR 28 Cb -0.07 -2.15 -0.03 0.00 -0.40 0.00 0.00 41.96 39.31 2ysb s TYR 28 CO 0.00 0.43 0.02 0.42 -1.57 0.00 0.00 175.55 174.86 2ysb s ILE 29 N -0.12 4.49 -0.38 2.71 1.01 0.10 -0.86 121.20 128.15 2ysb s ILE 29 Ca 0.13 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.53 2ysb s ILE 29 Cb -0.12 -2.94 0.05 0.00 0.01 0.00 0.00 42.46 39.46 2ysb s ILE 29 CO 0.02 0.56 0.19 -0.62 0.00 0.00 0.00 174.94 175.10 2ysb s ASP 30 N -0.48 5.56 0.39 3.58 -1.08 0.18 -1.14 116.67 123.68 2ysb s ASP 30 Ca 0.09 -1.23 0.23 0.00 -0.52 0.00 0.00 52.55 51.12 2ysb s ASP 30 Cb -0.12 -1.96 0.40 0.00 -1.46 0.00 0.00 42.92 39.78 2ysb s ASP 30 CO 0.02 -0.42 1.61 0.45 0.52 0.00 0.00 175.17 177.36 2ysb h HIS 31 N 8.35 0.00 -0.05 -5.34 3.86 -1.74 1.07 115.15 121.30 2ysb h HIS 31 Ca -0.24 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.73 2ysb h HIS 31 Cb 1.09 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.57 2ysb h HIS 31 CO 0.59 0.00 -0.93 -0.91 0.86 0.00 0.00 177.93 177.54 2ysb h ASN 32 N 0.00 0.82 0.00 2.45 2.35 -1.92 -3.34 115.58 115.94 2ysb h ASN 32 Ca 0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 2ysb h ASN 32 Cb 0.96 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.08 2ysb h ASN 32 CO 0.00 1.41 -1.17 0.35 -1.65 0.00 0.00 177.43 176.37 2ysb n THR 33 N -3.86 0.00 -2.64 2.81 -2.24 -1.23 -5.03 114.28 102.09 2ysb n THR 33 Ca -0.09 -0.25 -0.07 0.00 -2.27 0.00 0.00 64.05 61.37 2ysb n THR 33 Cb 0.82 0.49 0.03 0.00 -2.10 0.00 0.00 70.33 69.58 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 -2.48 -3.98 3.42 3.02 0.36 -5.06 115.26 108.87 2ysb n ASN 34 Ca -0.01 -0.22 -0.09 0.00 -0.03 0.00 0.00 54.58 54.23 2ysb n ASN 34 Cb 0.24 -2.23 -0.10 0.00 -0.61 0.00 0.00 39.78 37.08 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 -3.13 0.14 0.20 3.41 -4.23 -0.72 -4.95 115.64 106.36 2ysb s THR 35 Ca 0.06 -1.16 0.06 0.00 -1.18 0.00 0.00 61.69 59.47 2ysb s THR 35 Cb -0.03 -0.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.98 2ysb s THR 35 CO 0.27 -0.64 0.13 0.42 -0.54 0.00 0.00 174.62 174.26 2ysb s THR 36 N -2.45 4.31 -0.10 3.99 -4.23 -1.26 0.51 115.64 116.41 2ysb s THR 36 Ca -0.07 -1.29 -0.04 0.00 -1.18 0.00 0.00 61.69 59.11 2ysb s THR 36 Cb -0.02 -3.25 0.05 0.00 1.34 0.00 0.00 72.50 70.62 2ysb s THR 36 CO -0.04 -0.21 0.21 -1.00 -0.54 0.00 0.00 174.62 173.04 2ysb s HIS 37 N -1.92 -0.29 0.24 3.99 3.76 -0.04 -4.97 115.29 116.07 2ysb s HIS 37 Ca 0.31 0.74 -0.06 0.00 -0.15 0.00 0.00 55.06 55.90 2ysb s HIS 37 Cb -0.09 -0.07 0.25 0.00 1.11 0.00 0.00 32.58 33.78 2ysb s HIS 37 CO 0.23 -0.26 1.88 -1.49 -0.85 0.00 0.00 174.74 174.25 2ysb h TRP 38 N 7.75 1.22 -2.06 1.40 -0.00 -1.88 -2.02 115.95 120.36 2ysb h TRP 38 Ca -0.28 -0.01 -0.46 0.00 -0.00 0.00 0.00 58.89 58.13 2ysb h TRP 38 Cb 1.13 -0.40 -0.01 0.00 -0.00 0.00 0.00 29.16 29.89 2ysb h TRP 38 CO 0.39 0.82 -0.42 -1.12 -0.00 0.00 0.00 178.44 178.12 2ysb s SER 39 N -6.23 6.08 0.37 -3.49 0.01 -1.26 -4.67 113.70 104.51 2ysb s SER 39 Ca -0.13 -0.07 -0.28 0.00 1.31 0.00 0.00 55.95 56.79 2ysb s SER 39 Cb 0.17 -1.58 -0.10 0.00 0.21 0.00 0.00 66.02 64.72 2ysb s SER 39 CO 0.82 -0.19 1.40 -2.28 0.41 0.00 0.00 173.24 173.41 2ysb s HIS 40 N -2.07 2.74 0.25 2.43 2.46 -1.26 -4.81 115.29 115.02 2ysb s HIS 40 Ca 0.37 1.28 0.21 0.00 0.47 0.00 0.00 55.06 57.39 2ysb s HIS 40 Cb -0.09 -3.87 0.90 0.00 -0.13 0.00 0.00 32.58 29.39 2ysb s HIS 40 CO 0.29 -2.53 1.84 -1.00 -2.47 0.00 0.00 174.74 170.86 2ysb h PRO 41 N 3.01 0.00 0.02 2.88 0.13 -1.93 -3.03 132.00 133.09 2ysb h PRO 41 Ca -0.50 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.35 2ysb h PRO 41 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 2ysb h PRO 41 CO 0.64 0.29 -1.52 -0.07 -0.23 0.00 0.00 178.00 177.11 2ysb h LEU 42 N 0.00 0.06 0.74 1.56 3.38 -1.97 -3.38 115.31 115.70 2ysb h LEU 42 Ca -0.00 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2ysb h LEU 42 Cb 0.71 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2ysb h LEU 42 CO 0.04 1.09 -0.46 -0.33 0.09 0.00 0.00 178.44 178.87 2ysb h GLU 43 N 0.01 -1.08 -6.33 1.13 4.39 -1.91 -3.41 114.58 107.39 2ysb h GLU 43 Ca -0.22 0.07 -0.54 0.00 0.34 0.00 0.00 59.36 59.01 2ysb h GLU 43 Cb 1.95 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 30.85 2ysb h GLU 43 CO 0.10 -0.72 1.04 -1.54 -1.16 0.00 0.00 179.01 176.73 2ysb s SER 44 N -4.23 6.67 0.00 1.42 1.04 -1.20 -4.92 113.70 112.47 2ysb s SER 44 Ca -0.19 2.30 0.00 0.00 0.48 0.00 0.00 55.95 58.55 2ysb s SER 44 Cb 0.03 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.61 2ysb s SER 44 CO 0.61 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.54 2ysb n GLY 45 N 4.05 3.00 0.00 7.32 0.00 -1.26 -4.96 105.19 113.34 2ysb n GLY 45 Ca 0.16 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.72 0.49 -1.53 1.61 -0.04 -1.26 -4.79 135.00 128.76 2ysb n PRO 46 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2ysb n PRO 46 Cb 0.00 -1.40 0.06 0.00 -0.04 0.00 0.00 33.50 32.12 2ysb n PRO 46 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ysb s SER 47 N -1.90 5.08 -0.36 3.54 1.04 -1.26 -4.91 113.70 114.93 2ysb s SER 47 Ca 0.19 1.58 -0.27 0.00 0.48 0.00 0.00 55.95 57.93 2ysb s SER 47 Cb 0.09 -2.41 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 2ysb s SER 47 CO 0.15 -1.63 2.24 -0.55 0.98 0.00 0.00 173.24 174.43 2ysb s SER 48 N -3.77 5.07 0.00 7.02 0.15 -1.26 -5.14 113.70 115.77 2ysb s SER 48 Ca 0.59 1.43 0.00 0.00 0.70 0.00 0.00 55.95 58.67 2ysb s SER 48 Cb -0.14 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2ysb s SER 48 CO 0.55 -2.33 0.00 0.61 1.20 0.00 0.00 173.24 173.27