#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 0.28 -0.57 1.61 1.04 -1.26 -5.07 113.70 109.73 2ysb s SER 2 Ca 0.00 -0.69 -0.35 0.00 0.48 0.00 0.00 55.95 55.39 2ysb s SER 2 Cb 0.00 0.21 -0.17 0.00 0.10 0.00 0.00 66.02 66.15 2ysb s SER 2 CO 0.00 -0.52 2.02 -0.24 0.98 0.00 0.00 173.24 175.48 2ysb n SER 3 N 0.61 0.53 0.00 7.02 2.88 -1.26 -4.71 113.62 118.70 2ysb n SER 3 Ca -0.18 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 2ysb n SER 3 Cb 0.59 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 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 6.29 -1.47 3.92 0.46 0.00 -1.26 -5.17 105.19 107.96 2ysb n GLY 4 Ca 0.51 -1.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.92 5.35 0.02 1.61 1.04 -1.26 -5.07 113.70 112.47 2ysb s SER 5 Ca 0.00 -0.55 -0.02 0.00 0.48 0.00 0.00 55.95 55.86 2ysb s SER 5 Cb 0.00 -0.74 -0.01 0.00 0.10 0.00 0.00 66.02 65.36 2ysb s SER 5 CO 0.00 -0.60 -0.04 -1.20 0.98 0.00 0.00 173.24 172.38 2ysb n SER 6 N -1.60 0.70 0.00 7.02 7.64 -1.26 -5.08 113.62 121.03 2ysb n SER 6 Ca 0.03 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2ysb n SER 6 Cb 0.60 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 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 3.03 0.02 3.42 0.23 0.00 -1.26 -5.11 105.19 105.51 2ysb n GLY 7 Ca -0.04 -0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 3.09 -0.12 1.61 0.41 -1.26 -4.91 118.70 117.53 2ysb s GLU 8 Ca 0.00 -1.05 0.00 0.00 -0.41 0.00 0.00 54.97 53.51 2ysb s GLU 8 Cb 0.00 -4.22 0.10 0.00 -1.78 0.00 0.00 34.13 28.23 2ysb s GLU 8 CO 0.00 -1.59 1.70 -3.47 -0.49 0.00 0.00 175.26 171.41 2ysb n ASP 9 N 6.83 4.83 -4.24 -0.19 2.03 -1.26 -4.96 116.55 119.59 2ysb n ASP 9 Ca -0.07 -2.55 -0.36 0.00 0.52 0.00 0.00 54.79 52.34 2ysb n ASP 9 Cb 0.44 -0.90 0.06 0.00 -0.72 0.00 0.00 41.12 40.00 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 0.71 -2.75 -4.58 -2.67 4.77 -1.26 -4.72 117.00 106.50 2ysb n LEU 10 Ca 0.12 0.37 -0.28 0.00 -0.03 0.00 0.00 56.01 56.19 2ysb n LEU 10 Cb 0.60 -0.99 -0.06 0.00 -2.33 0.00 0.00 43.42 40.65 2ysb n LEU 10 CO 0.14 -4.63 1.47 -2.16 -1.33 0.00 0.00 177.39 170.88 2ysb s PRO 11 N -2.46 2.51 0.45 3.23 0.04 -1.26 -4.94 135.00 132.57 2ysb s PRO 11 Ca 0.52 -1.00 -0.21 0.00 0.04 0.00 0.00 61.00 60.35 2ysb s PRO 11 Cb -0.27 -5.21 -0.12 0.00 0.04 0.00 0.00 34.50 28.95 2ysb s PRO 11 CO 0.71 -3.87 0.56 1.28 0.04 0.00 0.00 177.00 175.72 2ysb n LEU 12 N 14.31 0.22 -4.69 -3.56 4.77 -1.26 -4.94 117.00 121.85 2ysb n LEU 12 Ca 0.44 0.87 -0.29 0.00 -0.03 0.00 0.00 56.01 57.00 2ysb n LEU 12 Cb 0.47 -1.14 0.16 0.00 -2.33 0.00 0.00 43.42 40.58 2ysb n LEU 12 CO 0.66 -2.88 0.65 -2.16 -1.33 0.00 0.00 177.39 172.33 2ysb s PRO 13 N -1.70 0.70 -0.43 3.23 0.04 -1.26 -4.93 135.00 130.65 2ysb s PRO 13 Ca 0.64 0.62 -0.28 0.00 0.04 0.00 0.00 61.00 62.02 2ysb s PRO 13 Cb -0.56 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.20 2ysb s PRO 13 CO 0.57 -2.57 1.75 -1.25 0.04 0.00 0.00 177.00 175.55 2ysb s PRO 14 N -4.96 3.16 0.00 0.56 0.04 -1.26 -2.56 135.00 129.98 2ysb s PRO 14 Ca 0.65 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2ysb s PRO 14 Cb -0.18 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.13 2ysb s PRO 14 CO 0.57 -2.08 0.00 0.41 0.04 0.00 0.00 177.00 175.94 2ysb n GLY 15 N 5.45 1.48 3.93 0.56 0.00 -1.26 -4.96 105.19 110.39 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 -1.32 3.48 -0.20 1.61 0.52 -1.06 -2.53 118.94 119.45 2ysb s TRP 16 Ca 0.00 0.40 -0.09 0.00 0.02 0.00 0.00 56.10 56.43 2ysb s TRP 16 Cb 0.00 -1.91 0.08 0.00 -1.15 0.00 0.00 33.47 30.48 2ysb s TRP 16 CO 0.00 0.26 0.45 -1.12 0.02 0.00 0.00 176.95 176.57 2ysb s SER 17 N -3.43 -0.49 0.23 2.95 0.01 -0.63 -4.89 113.70 107.44 2ysb s SER 17 Ca 0.40 1.03 -0.08 0.00 1.31 0.00 0.00 55.95 58.61 2ysb s SER 17 Cb -0.10 1.12 -0.06 0.00 0.21 0.00 0.00 66.02 67.18 2ysb s SER 17 CO 0.31 -0.21 0.52 0.54 0.41 0.00 0.00 173.24 174.81 2ysb s VAL 18 N 1.95 4.99 -0.18 3.43 0.11 -1.26 -0.20 120.40 129.24 2ysb s VAL 18 Ca -0.07 0.30 -0.21 0.00 -2.93 0.00 0.00 61.98 59.08 2ysb s VAL 18 Cb -0.10 -3.64 0.06 0.00 -1.53 0.00 0.00 36.38 31.17 2ysb s VAL 18 CO -0.14 -0.11 0.57 -1.81 -3.33 0.00 0.00 175.10 170.28 2ysb s ASP 19 N -2.56 -0.58 -0.13 3.54 1.01 -0.12 -4.96 116.67 112.87 2ysb s ASP 19 Ca 0.46 1.03 -0.16 0.00 0.71 0.00 0.00 52.55 54.59 2ysb s ASP 19 Cb -0.11 1.04 -0.05 0.00 1.01 0.00 0.00 42.92 44.81 2ysb s ASP 19 CO 0.24 -0.27 0.37 0.26 0.21 0.00 0.00 175.17 175.98 2ysb s TRP 20 N -0.01 3.50 0.72 4.23 0.51 -1.26 -1.66 118.94 124.98 2ysb s TRP 20 Ca -0.02 0.74 -0.11 0.00 -2.12 0.00 0.00 56.10 54.58 2ysb s TRP 20 Cb -0.04 -2.42 0.03 0.00 -0.81 0.00 0.00 33.47 30.23 2ysb s TRP 20 CO 0.02 0.24 1.10 0.95 -0.51 0.00 0.00 176.95 178.75 2ysb s THR 21 N 0.42 3.12 0.15 2.01 -4.23 0.14 -4.89 115.64 112.36 2ysb s THR 21 Ca 0.21 0.31 -0.30 0.00 -1.18 0.00 0.00 61.69 60.73 2ysb s THR 21 Cb -0.14 -3.35 -0.05 0.00 1.34 0.00 0.00 72.50 70.30 2ysb s THR 21 CO 0.07 -0.45 1.55 0.24 -0.54 0.00 0.00 174.62 175.49 2ysb h MET 22 N -0.71 -0.22 -0.75 3.99 2.86 -1.98 0.41 114.93 118.53 2ysb h MET 22 Ca -0.45 0.02 0.16 0.00 -2.06 0.00 0.00 59.70 57.36 2ysb h MET 22 Cb 1.27 0.05 -0.14 0.00 0.06 0.00 0.00 31.60 32.85 2ysb h MET 22 CO 0.64 -0.15 -0.12 0.00 1.06 0.00 0.00 176.91 178.35 2ysb h ARG 23 N -0.23 0.03 0.00 1.72 -0.00 -2.05 -3.45 114.38 110.41 2ysb h ARG 23 Ca 0.13 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.61 2ysb h ARG 23 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.50 2ysb h ARG 23 CO -0.73 0.02 0.00 0.41 0.00 0.00 0.00 179.97 179.67 2ysb n GLY 24 N -1.46 0.97 3.87 0.04 0.00 0.13 -5.14 105.19 103.59 2ysb n GLY 24 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 3.49 -0.27 1.61 0.52 -1.25 -4.83 118.95 118.21 2ysb s ARG 25 Ca 0.00 -0.14 -0.15 0.00 -0.52 0.00 0.00 55.73 54.92 2ysb s ARG 25 Cb 0.00 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.23 2ysb s ARG 25 CO 0.00 0.74 0.37 0.21 0.02 0.00 0.00 175.30 176.64 2ysb s LYS 26 N -0.93 3.99 0.07 3.54 2.20 -1.26 -0.69 119.74 126.67 2ysb s LYS 26 Ca 0.14 0.01 0.07 0.00 -0.36 0.00 0.00 55.97 55.83 2ysb s LYS 26 Cb -0.12 -3.66 -0.03 0.00 -1.51 0.00 0.00 37.83 32.51 2ysb s LYS 26 CO 0.04 -0.29 -0.19 1.52 -0.36 0.00 0.00 175.35 176.07 2ysb s TYR 27 N 2.06 1.66 -0.18 4.03 1.13 -0.66 -4.85 117.35 120.54 2ysb s TYR 27 Ca 0.15 -0.39 -0.07 0.00 -1.41 0.00 0.00 57.07 55.34 2ysb s TYR 27 Cb -0.16 -0.95 -0.04 0.00 -1.10 0.00 0.00 41.96 39.71 2ysb s TYR 27 CO 0.10 0.12 0.06 0.71 -2.51 0.00 0.00 175.55 174.03 2ysb s TYR 28 N -0.98 3.25 -0.13 -3.49 2.02 -0.84 -0.94 117.35 116.22 2ysb s TYR 28 Ca 0.05 0.07 -0.06 0.00 -0.37 0.00 0.00 57.07 56.76 2ysb s TYR 28 Cb -0.09 -2.07 -0.04 0.00 -0.40 0.00 0.00 41.96 39.36 2ysb s TYR 28 CO 0.03 0.16 0.09 0.42 -1.57 0.00 0.00 175.55 174.68 2ysb s ILE 29 N 0.33 5.11 -0.38 2.71 1.01 0.72 -0.57 121.20 130.13 2ysb s ILE 29 Ca 0.03 0.06 -0.10 0.00 0.00 0.00 0.00 60.65 60.65 2ysb s ILE 29 Cb -0.12 -3.24 0.04 0.00 0.01 0.00 0.00 42.46 39.15 2ysb s ILE 29 CO 0.00 0.57 0.19 -0.62 0.00 0.00 0.00 174.94 175.08 2ysb s ASP 30 N -0.58 5.62 0.40 3.58 -1.08 0.24 -1.61 116.67 123.23 2ysb s ASP 30 Ca 0.12 -1.15 0.21 0.00 -0.52 0.00 0.00 52.55 51.21 2ysb s ASP 30 Cb -0.12 -1.98 0.27 0.00 -1.46 0.00 0.00 42.92 39.63 2ysb s ASP 30 CO 0.02 -0.41 1.56 0.45 0.52 0.00 0.00 175.17 177.31 2ysb h HIS 31 N 8.38 0.00 0.03 -5.34 3.86 -1.78 1.38 115.15 121.69 2ysb h HIS 31 Ca -0.24 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.73 2ysb h HIS 31 Cb 1.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.56 2ysb h HIS 31 CO 0.59 0.11 -1.00 -0.91 0.86 0.00 0.00 177.93 177.58 2ysb h ASN 32 N 0.00 0.47 0.00 2.45 2.35 -1.92 -3.34 115.58 115.59 2ysb h ASN 32 Ca -0.00 -0.41 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2ysb h ASN 32 Cb 1.09 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.31 2ysb h ASN 32 CO 0.01 1.23 -0.92 0.35 -1.65 0.00 0.00 177.43 176.45 2ysb n THR 33 N -3.69 0.00 -2.93 2.81 -2.24 -1.23 -5.02 114.28 101.98 2ysb n THR 33 Ca -0.07 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 2ysb n THR 33 Cb 0.87 0.64 0.04 0.00 -2.10 0.00 0.00 70.33 69.78 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 -1.52 -3.30 -3.95 3.42 3.02 0.47 -5.05 115.26 108.35 2ysb n ASN 34 Ca -0.00 -0.30 -0.10 0.00 -0.03 0.00 0.00 54.58 54.16 2ysb n ASN 34 Cb 0.18 -2.87 -0.10 0.00 -0.61 0.00 0.00 39.78 36.38 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 -3.17 0.11 0.17 3.41 -4.23 -0.70 -4.93 115.64 106.30 2ysb s THR 35 Ca 0.17 -0.94 0.05 0.00 -1.18 0.00 0.00 61.69 59.80 2ysb s THR 35 Cb -0.08 -0.49 -0.04 0.00 1.34 0.00 0.00 72.50 73.23 2ysb s THR 35 CO 0.38 -0.52 0.14 0.42 -0.54 0.00 0.00 174.62 174.49 2ysb s THR 36 N -1.79 4.44 -0.03 3.99 -4.23 -1.26 0.81 115.64 117.57 2ysb s THR 36 Ca -0.12 -1.13 -0.01 0.00 -1.18 0.00 0.00 61.69 59.25 2ysb s THR 36 Cb -0.07 -3.28 0.03 0.00 1.34 0.00 0.00 72.50 70.52 2ysb s THR 36 CO -0.01 -0.13 0.05 -1.00 -0.54 0.00 0.00 174.62 172.99 2ysb s HIS 37 N -1.79 0.01 0.22 3.99 3.76 0.26 -4.97 115.29 116.77 2ysb s HIS 37 Ca 0.31 0.22 -0.09 0.00 -0.15 0.00 0.00 55.06 55.35 2ysb s HIS 37 Cb -0.10 -0.29 0.19 0.00 1.11 0.00 0.00 32.58 33.49 2ysb s HIS 37 CO 0.23 -0.13 1.89 -1.49 -0.85 0.00 0.00 174.74 174.39 2ysb h TRP 38 N 7.63 1.06 -2.49 1.40 -0.00 -1.89 -2.24 115.95 119.43 2ysb h TRP 38 Ca -0.36 0.02 -0.53 0.00 -0.00 0.00 0.00 58.89 58.02 2ysb h TRP 38 Cb 1.12 -0.36 -0.04 0.00 -0.00 0.00 0.00 29.16 29.89 2ysb h TRP 38 CO 0.49 0.68 -0.49 -1.54 -0.00 0.00 0.00 178.44 177.58 2ysb s SER 39 N -5.98 6.01 0.36 -3.49 1.04 -1.26 -4.68 113.70 105.70 2ysb s SER 39 Ca -0.13 0.02 -0.27 0.00 0.48 0.00 0.00 55.95 56.05 2ysb s SER 39 Cb 0.16 -1.71 -0.12 0.00 0.10 0.00 0.00 66.02 64.45 2ysb s SER 39 CO 0.80 0.02 1.28 1.57 0.98 0.00 0.00 173.24 177.89 2ysb n HIS 40 N -0.72 2.23 0.35 5.02 -0.00 -1.26 -4.86 115.22 115.98 2ysb n HIS 40 Ca -0.08 0.54 0.14 0.00 0.46 0.00 0.00 57.72 58.78 2ysb n HIS 40 Cb 0.55 -2.40 0.58 0.00 -0.12 0.00 0.00 29.99 28.59 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 2.44 0.00 0.00 1.57 0.13 -1.93 -2.86 132.00 131.35 2ysb h PRO 41 Ca -0.46 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.39 2ysb h PRO 41 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 2ysb h PRO 41 CO 0.62 0.00 -1.93 1.28 -0.23 0.00 0.00 178.00 177.74 2ysb n LEU 42 N -2.55 0.49 0.34 1.56 4.77 -1.26 -4.42 117.00 115.93 2ysb n LEU 42 Ca 0.01 0.23 -0.18 0.00 -0.03 0.00 0.00 56.01 56.05 2ysb n LEU 42 Cb 0.25 0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 2ysb n LEU 42 CO 0.22 0.36 0.65 -0.33 -1.33 0.00 0.00 177.39 176.96 2ysb h GLU 43 N 0.00 -0.85 -2.69 3.23 5.08 -1.88 -3.47 114.58 114.02 2ysb h GLU 43 Ca -0.35 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2ysb h GLU 43 Cb 1.96 0.19 -0.14 0.00 0.50 0.00 0.00 28.75 31.27 2ysb h GLU 43 CO 0.05 -0.56 0.27 0.45 -1.00 0.00 0.00 179.01 178.21 2ysb s SER 44 N -4.43 -0.54 0.00 1.42 0.15 -1.22 -5.09 113.70 103.99 2ysb s SER 44 Ca -0.17 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2ysb s SER 44 Cb 0.04 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 2ysb s SER 44 CO 0.62 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.83 2ysb n GLY 45 N -0.14 2.79 0.00 9.45 0.00 -1.26 -4.67 105.19 111.36 2ysb n GLY 45 Ca -0.16 -0.34 0.06 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.65 0.49 -2.50 1.61 -0.04 -1.26 -4.76 135.00 127.89 2ysb n PRO 46 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 2ysb n PRO 46 Cb 0.00 -1.36 0.05 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.87 5.14 -0.08 3.54 1.04 -1.26 -5.11 113.70 115.10 2ysb s SER 47 Ca 0.17 0.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.74 2ysb s SER 47 Cb 0.08 -0.96 0.03 0.00 0.10 0.00 0.00 66.02 65.26 2ysb s SER 47 CO 0.13 -1.28 -0.02 -0.44 0.98 0.00 0.00 173.24 172.60 2ysb s SER 48 N -4.45 1.72 0.00 7.02 0.01 -1.26 -5.16 113.70 111.57 2ysb s SER 48 Ca 0.58 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.69 2ysb s SER 48 Cb -0.10 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.57 2ysb s SER 48 CO 0.40 -0.16 0.11 0.61 0.41 0.00 0.00 173.24 174.61