#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 -0.33 0.19 1.61 1.04 -1.26 -5.05 113.70 109.90 2ysb s SER 2 Ca 0.00 0.64 -0.14 0.00 0.48 0.00 0.00 55.95 56.92 2ysb s SER 2 Cb 0.00 0.62 0.20 0.00 0.10 0.00 0.00 66.02 66.94 2ysb s SER 2 CO 0.00 -0.12 1.27 -1.54 0.98 0.00 0.00 173.24 173.83 2ysb n SER 3 N 3.13 -0.53 0.00 7.02 3.41 -1.26 -4.92 113.62 120.47 2ysb n SER 3 Ca -0.15 1.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.89 2ysb n SER 3 Cb 0.57 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 2ysb n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ysb n GLY 4 N -1.39 0.37 2.91 5.00 0.00 -1.26 -5.05 105.19 105.77 2ysb n GLY 4 Ca 0.08 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 2ysb n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ysb n SER 5 N 0.00 0.29 -4.29 1.61 7.64 -1.26 -4.85 113.62 112.76 2ysb n SER 5 Ca 0.00 0.20 -0.16 0.00 1.01 0.00 0.00 58.87 59.93 2ysb n SER 5 Cb 0.00 -0.77 -0.10 0.00 -1.01 0.00 0.00 64.21 62.33 2ysb n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2ysb s SER 6 N 7.22 0.99 -0.40 6.43 1.04 -1.26 -5.12 113.70 122.60 2ysb s SER 6 Ca 1.12 -1.39 0.01 0.00 0.48 0.00 0.00 55.95 56.17 2ysb s SER 6 Cb -1.08 0.21 0.25 0.00 0.10 0.00 0.00 66.02 65.50 2ysb s SER 6 CO 0.43 -0.76 1.07 0.61 0.98 0.00 0.00 173.24 175.57 2ysb n GLY 7 N -0.43 -1.03 3.41 7.32 0.00 -1.26 -5.11 105.19 108.10 2ysb n GLY 7 Ca 0.00 0.68 -0.44 0.00 0.00 0.00 0.00 46.02 46.27 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 0.43 3.08 -0.75 1.61 2.02 -1.26 -4.92 118.70 118.92 2ysb s GLU 8 Ca 0.28 -1.08 -0.02 0.00 0.02 0.00 0.00 54.97 54.18 2ysb s GLU 8 Cb 0.20 -4.23 0.37 0.00 0.10 0.00 0.00 34.13 30.57 2ysb s GLU 8 CO -0.14 -1.59 2.07 -3.47 0.02 0.00 0.00 175.26 172.14 2ysb n ASP 9 N 6.80 7.52 -4.16 -0.19 2.03 -1.26 -4.98 116.55 122.31 2ysb n ASP 9 Ca -0.07 -3.77 -0.36 0.00 0.52 0.00 0.00 54.79 51.11 2ysb n ASP 9 Cb 0.44 -1.04 0.05 0.00 -0.72 0.00 0.00 41.12 39.84 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 -0.58 -4.02 -4.57 -2.67 4.77 -1.26 -4.70 117.00 103.96 2ysb n LEU 10 Ca 0.56 0.34 -0.27 0.00 -0.03 0.00 0.00 56.01 56.61 2ysb n LEU 10 Cb 0.41 -0.89 -0.05 0.00 -2.33 0.00 0.00 43.42 40.56 2ysb n LEU 10 CO 0.60 -5.15 1.41 -2.16 -1.33 0.00 0.00 177.39 170.77 2ysb s PRO 11 N -2.11 2.53 0.49 3.23 0.04 -1.26 -4.95 135.00 132.99 2ysb s PRO 11 Ca 0.48 -0.68 -0.21 0.00 0.04 0.00 0.00 61.00 60.64 2ysb s PRO 11 Cb -0.27 -5.14 -0.10 0.00 0.04 0.00 0.00 34.50 29.03 2ysb s PRO 11 CO 0.75 -3.64 0.63 1.28 0.04 0.00 0.00 177.00 176.06 2ysb n LEU 12 N 14.13 0.90 -4.69 -3.56 4.77 -1.26 -4.95 117.00 122.33 2ysb n LEU 12 Ca 0.42 0.85 -0.29 0.00 -0.03 0.00 0.00 56.01 56.96 2ysb n LEU 12 Cb 0.47 -1.19 0.17 0.00 -2.33 0.00 0.00 43.42 40.54 2ysb n LEU 12 CO 0.63 -2.70 0.65 -2.16 -1.33 0.00 0.00 177.39 172.48 2ysb s PRO 13 N -1.92 0.63 -0.39 3.23 0.04 -1.26 -4.93 135.00 130.39 2ysb s PRO 13 Ca 0.66 0.59 -0.28 0.00 0.04 0.00 0.00 61.00 62.01 2ysb s PRO 13 Cb -0.52 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 2ysb s PRO 13 CO 0.56 -2.62 1.73 -1.25 0.04 0.00 0.00 177.00 175.46 2ysb s PRO 14 N -4.96 3.27 0.00 0.56 0.04 -1.26 -2.56 135.00 130.10 2ysb s PRO 14 Ca 0.65 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2ysb s PRO 14 Cb -0.18 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.16 2ysb s PRO 14 CO 0.57 -1.93 0.00 0.41 0.04 0.00 0.00 177.00 176.09 2ysb n GLY 15 N 5.39 1.44 3.94 0.56 0.00 -1.26 -4.93 105.19 110.33 2ysb n GLY 15 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.55 3.48 -0.21 1.61 0.52 -1.06 -1.88 118.94 119.85 2ysb s TRP 16 Ca 0.00 0.25 -0.11 0.00 0.02 0.00 0.00 56.10 56.26 2ysb s TRP 16 Cb 0.00 -1.78 0.08 0.00 -1.15 0.00 0.00 33.47 30.61 2ysb s TRP 16 CO 0.00 0.38 0.50 -1.12 0.02 0.00 0.00 176.95 176.73 2ysb s SER 17 N -3.42 -0.63 0.15 2.95 0.01 -0.40 -4.90 113.70 107.46 2ysb s SER 17 Ca 0.37 1.13 -0.11 0.00 1.31 0.00 0.00 55.95 58.65 2ysb s SER 17 Cb -0.10 1.16 -0.07 0.00 0.21 0.00 0.00 66.02 67.22 2ysb s SER 17 CO 0.30 -0.21 0.49 0.54 0.41 0.00 0.00 173.24 174.76 2ysb s VAL 18 N 1.81 4.97 -0.14 3.43 0.11 -1.26 -0.18 120.40 129.14 2ysb s VAL 18 Ca -0.08 0.57 -0.14 0.00 -2.93 0.00 0.00 61.98 59.40 2ysb s VAL 18 Cb -0.09 -3.67 0.04 0.00 -1.53 0.00 0.00 36.38 31.13 2ysb s VAL 18 CO -0.15 0.17 0.40 -0.62 -3.33 0.00 0.00 175.10 171.56 2ysb s ASP 19 N -1.94 -0.41 -0.15 3.54 -1.08 -0.23 -4.97 116.67 111.44 2ysb s ASP 19 Ca 0.39 0.78 -0.17 0.00 -0.52 0.00 0.00 52.55 53.03 2ysb s ASP 19 Cb -0.14 0.80 -0.04 0.00 -1.46 0.00 0.00 42.92 42.08 2ysb s ASP 19 CO 0.20 -0.15 0.45 0.26 0.52 0.00 0.00 175.17 176.45 2ysb s TRP 20 N 0.16 3.47 0.78 -5.34 0.51 -1.26 -1.97 118.94 115.29 2ysb s TRP 20 Ca -0.00 0.80 -0.12 0.00 -2.12 0.00 0.00 56.10 54.66 2ysb s TRP 20 Cb -0.03 -2.54 0.06 0.00 -0.81 0.00 0.00 33.47 30.15 2ysb s TRP 20 CO 0.01 0.11 1.16 0.95 -0.51 0.00 0.00 176.95 178.67 2ysb s THR 21 N 0.84 2.41 0.16 2.01 -4.23 -0.04 -4.88 115.64 111.91 2ysb s THR 21 Ca 0.24 0.13 -0.23 0.00 -1.18 0.00 0.00 61.69 60.65 2ysb s THR 21 Cb -0.15 -3.12 0.05 0.00 1.34 0.00 0.00 72.50 70.62 2ysb s THR 21 CO 0.09 -0.17 1.59 0.24 -0.54 0.00 0.00 174.62 175.83 2ysb h MET 22 N -0.96 -0.25 -1.02 3.99 2.86 -1.98 0.11 114.93 117.68 2ysb h MET 22 Ca -0.46 0.02 0.26 0.00 -2.06 0.00 0.00 59.70 57.46 2ysb h MET 22 Cb 1.31 0.06 -0.12 0.00 0.06 0.00 0.00 31.60 32.91 2ysb h MET 22 CO 0.65 -0.17 0.61 0.00 1.06 0.00 0.00 176.91 179.07 2ysb h ARG 23 N -0.26 0.51 0.00 1.72 2.47 -2.04 -3.44 114.38 113.33 2ysb h ARG 23 Ca 0.17 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.86 2ysb h ARG 23 Cb 0.55 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 2ysb h ARG 23 CO -0.54 0.34 0.00 0.41 0.56 0.00 0.00 179.97 180.73 2ysb n GLY 24 N -1.35 1.96 3.84 0.04 0.00 0.38 -5.13 105.19 104.93 2ysb n GLY 24 Ca 0.27 0.00 -0.36 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 -0.08 3.34 -0.28 1.61 0.52 -1.25 -4.84 118.95 117.97 2ysb s ARG 25 Ca 0.00 -0.21 -0.15 0.00 -0.52 0.00 0.00 55.73 54.85 2ysb s ARG 25 Cb 0.00 -3.09 -0.03 0.00 0.52 0.00 0.00 34.95 32.34 2ysb s ARG 25 CO 0.00 0.75 0.37 0.21 0.02 0.00 0.00 175.30 176.66 2ysb s LYS 26 N -1.10 3.93 0.04 3.54 2.20 -1.26 -0.86 119.74 126.23 2ysb s LYS 26 Ca 0.16 -0.04 0.06 0.00 -0.36 0.00 0.00 55.97 55.79 2ysb s LYS 26 Cb -0.12 -3.68 -0.02 0.00 -1.51 0.00 0.00 37.83 32.49 2ysb s LYS 26 CO 0.05 -0.33 -0.18 1.52 -0.36 0.00 0.00 175.35 176.05 2ysb s TYR 27 N 2.07 1.60 -0.20 4.03 1.13 -0.83 -4.85 117.35 120.30 2ysb s TYR 27 Ca 0.14 -0.37 -0.09 0.00 -1.41 0.00 0.00 57.07 55.35 2ysb s TYR 27 Cb -0.16 -0.95 -0.05 0.00 -1.10 0.00 0.00 41.96 39.70 2ysb s TYR 27 CO 0.10 0.08 0.11 0.71 -2.51 0.00 0.00 175.55 174.04 2ysb s TYR 28 N -0.82 3.36 -0.13 -3.49 2.02 -0.80 -1.06 117.35 116.43 2ysb s TYR 28 Ca 0.05 0.24 -0.05 0.00 -0.37 0.00 0.00 57.07 56.94 2ysb s TYR 28 Cb -0.08 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.30 2ysb s TYR 28 CO 0.02 0.24 0.07 0.42 -1.57 0.00 0.00 175.55 174.73 2ysb s ILE 29 N 0.39 4.92 -0.36 2.71 1.01 0.75 -0.68 121.20 129.94 2ysb s ILE 29 Ca 0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.62 2ysb s ILE 29 Cb -0.12 -3.14 0.03 0.00 0.01 0.00 0.00 42.46 39.25 2ysb s ILE 29 CO -0.01 0.57 0.16 -0.62 0.00 0.00 0.00 174.94 175.04 2ysb s ASP 30 N -0.59 5.54 0.27 3.58 -1.08 0.21 -1.28 116.67 123.32 2ysb s ASP 30 Ca 0.11 -1.05 0.24 0.00 -0.52 0.00 0.00 52.55 51.33 2ysb s ASP 30 Cb -0.12 -1.95 0.51 0.00 -1.46 0.00 0.00 42.92 39.90 2ysb s ASP 30 CO 0.02 -0.36 1.58 0.45 0.52 0.00 0.00 175.17 177.39 2ysb h HIS 31 N 8.34 0.00 0.03 -5.34 3.86 -1.67 0.87 115.15 121.24 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 1.09 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.59 2ysb h HIS 31 CO 0.58 0.00 -1.09 -0.91 0.86 0.00 0.00 177.93 177.37 2ysb h ASN 32 N 0.00 0.89 0.00 2.45 2.35 -1.92 -3.36 115.58 115.99 2ysb h ASN 32 Ca 0.00 -0.74 0.00 0.00 -0.55 0.00 0.00 56.30 55.01 2ysb h ASN 32 Cb 0.85 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2ysb h ASN 32 CO 0.00 1.54 -1.17 0.35 -1.65 0.00 0.00 177.43 176.50 2ysb n THR 33 N -3.83 0.00 -2.49 2.81 -2.24 -1.24 -5.03 114.28 102.26 2ysb n THR 33 Ca -0.11 -0.24 -0.05 0.00 -2.27 0.00 0.00 64.05 61.38 2ysb n THR 33 Cb 0.91 0.47 0.02 0.00 -2.10 0.00 0.00 70.33 69.64 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 -2.27 -3.97 3.42 3.02 0.30 -5.07 115.26 109.02 2ysb n ASN 34 Ca -0.01 -0.17 -0.09 0.00 -0.03 0.00 0.00 54.58 54.28 2ysb n ASN 34 Cb 0.22 -1.79 -0.10 0.00 -0.61 0.00 0.00 39.78 37.50 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 -3.10 0.13 0.15 3.41 -4.23 -0.77 -4.94 115.64 106.29 2ysb s THR 35 Ca 0.03 -1.04 0.05 0.00 -1.18 0.00 0.00 61.69 59.56 2ysb s THR 35 Cb -0.02 -0.59 -0.04 0.00 1.34 0.00 0.00 72.50 73.19 2ysb s THR 35 CO 0.20 -0.57 0.07 0.42 -0.54 0.00 0.00 174.62 174.20 2ysb s THR 36 N -2.03 4.19 -0.05 3.99 -4.23 -1.26 0.66 115.64 116.91 2ysb s THR 36 Ca -0.10 -1.14 -0.02 0.00 -1.18 0.00 0.00 61.69 59.25 2ysb s THR 36 Cb -0.05 -3.10 0.04 0.00 1.34 0.00 0.00 72.50 70.73 2ysb s THR 36 CO -0.03 -0.05 0.10 -1.00 -0.54 0.00 0.00 174.62 173.11 2ysb s HIS 37 N -1.65 -0.08 0.23 3.99 3.76 0.14 -4.98 115.29 116.70 2ysb s HIS 37 Ca 0.29 0.38 -0.08 0.00 -0.15 0.00 0.00 55.06 55.51 2ysb s HIS 37 Cb -0.10 -0.23 0.20 0.00 1.11 0.00 0.00 32.58 33.55 2ysb s HIS 37 CO 0.21 -0.18 1.87 -1.49 -0.85 0.00 0.00 174.74 174.30 2ysb h TRP 38 N 7.73 1.17 -2.52 1.40 -0.00 -1.89 -2.12 115.95 119.72 2ysb h TRP 38 Ca -0.31 -0.01 -0.53 0.00 -0.00 0.00 0.00 58.89 58.03 2ysb h TRP 38 Cb 1.13 -0.38 -0.02 0.00 -0.00 0.00 0.00 29.16 29.88 2ysb h TRP 38 CO 0.46 0.79 -0.46 -1.54 -0.00 0.00 0.00 178.44 177.69 2ysb s SER 39 N -6.14 6.34 0.34 -3.49 1.04 -1.26 -4.67 113.70 105.85 2ysb s SER 39 Ca -0.13 0.16 -0.27 0.00 0.48 0.00 0.00 55.95 56.19 2ysb s SER 39 Cb 0.16 -1.90 -0.12 0.00 0.10 0.00 0.00 66.02 64.26 2ysb s SER 39 CO 0.82 0.04 1.14 1.57 0.98 0.00 0.00 173.24 177.79 2ysb n HIS 40 N -0.62 1.74 0.27 5.02 -0.00 -1.26 -4.86 115.22 115.50 2ysb n HIS 40 Ca -0.07 0.60 0.16 0.00 0.46 0.00 0.00 57.72 58.87 2ysb n HIS 40 Cb 0.54 -2.32 0.66 0.00 -0.12 0.00 0.00 29.99 28.75 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 2.16 0.00 0.00 1.57 0.13 -1.92 -2.83 132.00 131.12 2ysb h PRO 41 Ca -0.44 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.52 2ysb h PRO 41 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 2ysb h PRO 41 CO 0.61 0.05 -1.53 1.28 -0.23 0.00 0.00 178.00 178.18 2ysb n LEU 42 N -3.18 0.75 0.23 1.56 4.77 -1.26 -4.41 117.00 115.46 2ysb n LEU 42 Ca 0.00 0.33 -0.10 0.00 -0.03 0.00 0.00 56.01 56.22 2ysb n LEU 42 Cb 0.32 0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 2ysb n LEU 42 CO 0.28 0.17 0.26 -0.33 -1.33 0.00 0.00 177.39 176.44 2ysb h GLU 43 N 0.00 -0.61 -4.67 3.23 4.39 -1.87 -3.38 114.58 111.66 2ysb h GLU 43 Ca -0.19 0.04 -0.73 0.00 0.34 0.00 0.00 59.36 58.82 2ysb h GLU 43 Cb 1.61 0.14 -0.19 0.00 -0.10 0.00 0.00 28.75 30.21 2ysb h GLU 43 CO 0.04 -0.41 1.07 0.45 -1.16 0.00 0.00 179.01 179.00 2ysb s SER 44 N -4.68 6.96 0.00 1.42 0.15 -1.11 -4.95 113.70 111.49 2ysb s SER 44 Ca -0.09 -2.78 0.00 0.00 0.70 0.00 0.00 55.95 53.78 2ysb s SER 44 Cb 0.01 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 2ysb s SER 44 CO 0.28 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2ysb n GLY 45 N 4.35 6.65 3.55 9.45 0.00 -1.26 -4.89 105.19 123.04 2ysb n GLY 45 Ca 0.31 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 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 1.17 2.61 0.01 1.61 0.04 -1.26 -4.97 135.00 134.20 2ysb s PRO 46 Ca 0.00 0.48 -0.01 0.00 0.04 0.00 0.00 61.00 61.51 2ysb s PRO 46 Cb 0.00 -4.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.01 2ysb s PRO 46 CO 0.00 -2.84 0.14 -1.54 0.04 0.00 0.00 177.00 172.80 2ysb s SER 47 N 8.14 6.02 -0.21 6.66 1.04 -1.26 -5.10 113.70 129.00 2ysb s SER 47 Ca 0.68 0.22 0.00 0.00 0.48 0.00 0.00 55.95 57.34 2ysb s SER 47 Cb -0.12 -1.80 0.05 0.00 0.10 0.00 0.00 66.02 64.25 2ysb s SER 47 CO 0.17 0.24 -0.07 -0.94 0.98 0.00 0.00 173.24 173.63 2ysb s SER 48 N -1.99 3.44 0.00 7.02 1.04 -1.26 -5.30 113.70 116.65 2ysb s SER 48 Ca 0.27 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.75 2ysb s SER 48 Cb -0.12 -1.12 0.00 0.00 0.10 0.00 0.00 66.02 64.88 2ysb s SER 48 CO 0.18 -0.20 0.49 0.61 0.98 0.00 0.00 173.24 175.30