#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 2.26 -4.06 1.61 2.88 -1.26 -4.96 113.62 110.09 2ysb n SER 2 Ca 0.00 1.08 -0.07 0.00 -1.33 0.00 0.00 58.87 58.55 2ysb n SER 2 Cb 0.00 -1.21 -0.10 0.00 -0.75 0.00 0.00 64.21 62.16 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 2.19 0.43 1.19 -3.46 0.01 -1.26 -5.16 113.70 107.63 2ysb s SER 3 Ca 0.91 -0.96 -0.17 0.00 1.31 0.00 0.00 55.95 57.04 2ysb s SER 3 Cb -0.96 0.23 0.28 0.00 0.21 0.00 0.00 66.02 65.78 2ysb s SER 3 CO 0.55 -0.63 1.06 -0.83 0.41 0.00 0.00 173.24 173.80 2ysb s GLY 4 N -2.92 1.54 0.10 3.44 0.00 -1.26 -4.94 107.32 103.28 2ysb s GLY 4 Ca 0.08 -0.63 -0.29 0.00 0.00 0.00 0.00 44.72 43.87 2ysb s GLY 4 CO -0.09 0.17 1.48 1.76 0.00 0.00 0.00 173.10 176.42 2ysb h SER 5 N -2.57 -1.50 -4.29 1.64 0.02 -2.01 -3.42 113.55 101.42 2ysb h SER 5 Ca -0.51 0.18 -0.50 0.00 -0.84 0.00 0.00 61.79 60.12 2ysb h SER 5 Cb 1.32 0.58 0.11 0.00 0.14 0.00 0.00 62.40 64.56 2ysb h SER 5 CO 0.43 -0.42 0.34 -0.44 -1.14 0.00 0.00 176.83 175.60 2ysb s SER 6 N -4.54 4.73 0.00 3.07 0.01 -1.26 -4.53 113.70 111.18 2ysb s SER 6 Ca -0.13 1.50 0.00 0.00 1.31 0.00 0.00 55.95 58.63 2ysb s SER 6 Cb 0.06 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2ysb s SER 6 CO 0.53 -1.84 0.00 0.61 0.41 0.00 0.00 173.24 172.94 2ysb n GLY 7 N -1.86 2.98 3.54 3.44 0.00 -1.26 -5.05 105.19 106.98 2ysb n GLY 7 Ca 0.07 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 3.24 -0.17 1.61 0.41 -1.26 -4.87 118.70 117.67 2ysb s GLU 8 Ca 0.00 -0.46 -0.00 0.00 -0.41 0.00 0.00 54.97 54.10 2ysb s GLU 8 Cb 0.00 -4.36 0.14 0.00 -1.78 0.00 0.00 34.13 28.13 2ysb s GLU 8 CO 0.00 -2.11 1.79 -3.47 -0.49 0.00 0.00 175.26 170.98 2ysb n ASP 9 N 9.06 5.20 -4.16 -0.19 2.03 -1.26 -4.94 116.55 122.28 2ysb n ASP 9 Ca 0.07 -2.69 -0.37 0.00 0.52 0.00 0.00 54.79 52.32 2ysb n ASP 9 Cb 0.49 -0.95 0.04 0.00 -0.72 0.00 0.00 41.12 39.99 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 0.60 -4.06 -4.57 -2.67 4.77 -1.26 -4.70 117.00 105.11 2ysb n LEU 10 Ca 0.17 0.37 -0.27 0.00 -0.03 0.00 0.00 56.01 56.25 2ysb n LEU 10 Cb 0.63 -0.88 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 2ysb n LEU 10 CO 0.21 -5.14 1.42 -2.16 -1.33 0.00 0.00 177.39 170.38 2ysb s PRO 11 N -1.98 2.53 0.46 3.23 0.04 -1.26 -4.94 135.00 133.08 2ysb s PRO 11 Ca 0.49 -0.69 -0.21 0.00 0.04 0.00 0.00 61.00 60.63 2ysb s PRO 11 Cb -0.29 -5.15 -0.12 0.00 0.04 0.00 0.00 34.50 28.98 2ysb s PRO 11 CO 0.74 -3.65 0.40 1.28 0.04 0.00 0.00 177.00 175.81 2ysb n LEU 12 N 14.14 -0.68 -4.69 -3.56 4.77 -1.26 -4.94 117.00 120.78 2ysb n LEU 12 Ca 0.42 0.83 -0.29 0.00 -0.03 0.00 0.00 56.01 56.94 2ysb n LEU 12 Cb 0.47 -1.06 0.16 0.00 -2.33 0.00 0.00 43.42 40.66 2ysb n LEU 12 CO 0.63 -3.33 0.65 -2.16 -1.33 0.00 0.00 177.39 171.85 2ysb s PRO 13 N -1.54 0.67 -0.37 3.23 0.04 -1.26 -4.94 135.00 130.84 2ysb s PRO 13 Ca 0.63 0.61 -0.28 0.00 0.04 0.00 0.00 61.00 62.00 2ysb s PRO 13 Cb -0.56 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 2ysb s PRO 13 CO 0.59 -2.59 1.71 -1.25 0.04 0.00 0.00 177.00 175.50 2ysb s PRO 14 N -4.96 3.35 0.00 0.56 0.04 -1.26 -2.56 135.00 130.17 2ysb s PRO 14 Ca 0.65 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2ysb s PRO 14 Cb -0.18 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.19 2ysb s PRO 14 CO 0.57 -1.84 0.00 0.41 0.04 0.00 0.00 177.00 176.18 2ysb n GLY 15 N 5.36 1.45 3.96 0.56 0.00 -1.26 -4.95 105.19 110.31 2ysb n GLY 15 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.67 3.47 -0.24 1.61 0.52 -1.06 -1.99 118.94 119.58 2ysb s TRP 16 Ca 0.00 0.11 -0.12 0.00 0.02 0.00 0.00 56.10 56.11 2ysb s TRP 16 Cb 0.00 -1.69 0.08 0.00 -1.15 0.00 0.00 33.47 30.71 2ysb s TRP 16 CO 0.00 0.33 0.57 -1.12 0.02 0.00 0.00 176.95 176.75 2ysb s SER 17 N -4.00 -0.77 0.19 2.95 0.01 -0.57 -4.91 113.70 106.60 2ysb s SER 17 Ca 0.36 1.28 -0.09 0.00 1.31 0.00 0.00 55.95 58.82 2ysb s SER 17 Cb -0.09 1.29 -0.07 0.00 0.21 0.00 0.00 66.02 67.36 2ysb s SER 17 CO 0.32 -0.22 0.50 0.54 0.41 0.00 0.00 173.24 174.78 2ysb s VAL 18 N 1.79 5.00 -0.15 3.43 0.11 -1.26 -0.23 120.40 129.09 2ysb s VAL 18 Ca -0.09 0.38 -0.17 0.00 -2.93 0.00 0.00 61.98 59.17 2ysb s VAL 18 Cb -0.07 -3.63 0.04 0.00 -1.53 0.00 0.00 36.38 31.19 2ysb s VAL 18 CO -0.17 -0.01 0.46 -1.81 -3.33 0.00 0.00 175.10 170.24 2ysb s ASP 19 N -2.31 -0.46 -0.18 3.54 1.01 -0.11 -4.97 116.67 113.19 2ysb s ASP 19 Ca 0.44 0.81 -0.14 0.00 0.71 0.00 0.00 52.55 54.37 2ysb s ASP 19 Cb -0.12 0.84 -0.04 0.00 1.01 0.00 0.00 42.92 44.61 2ysb s ASP 19 CO 0.22 -0.23 0.31 0.26 0.21 0.00 0.00 175.17 175.94 2ysb s TRP 20 N -0.05 3.42 0.73 4.23 0.51 -1.26 -1.64 118.94 124.87 2ysb s TRP 20 Ca -0.02 0.56 -0.11 0.00 -2.12 0.00 0.00 56.10 54.40 2ysb s TRP 20 Cb -0.03 -2.39 0.03 0.00 -0.81 0.00 0.00 33.47 30.26 2ysb s TRP 20 CO 0.02 0.14 1.10 0.95 -0.51 0.00 0.00 176.95 178.64 2ysb s THR 21 N 0.81 3.39 0.17 2.01 -4.23 -0.02 -4.88 115.64 112.89 2ysb s THR 21 Ca 0.16 0.45 -0.26 0.00 -1.18 0.00 0.00 61.69 60.86 2ysb s THR 21 Cb -0.14 -3.39 0.04 0.00 1.34 0.00 0.00 72.50 70.35 2ysb s THR 21 CO 0.05 -0.59 1.56 0.24 -0.54 0.00 0.00 174.62 175.34 2ysb h MET 22 N -0.75 -0.16 -0.77 3.99 2.86 -1.98 0.15 114.93 118.27 2ysb h MET 22 Ca -0.45 0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.38 2ysb h MET 22 Cb 1.26 0.04 -0.13 0.00 0.06 0.00 0.00 31.60 32.82 2ysb h MET 22 CO 0.63 -0.11 0.05 -0.09 1.06 0.00 0.00 176.91 178.45 2ysb h ARG 23 N -0.17 0.13 0.00 1.72 1.12 -2.05 -3.45 114.38 111.69 2ysb h ARG 23 Ca 0.19 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.06 2ysb h ARG 23 Cb 0.55 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.48 2ysb h ARG 23 CO -0.77 0.09 0.00 0.41 -3.11 0.00 0.00 179.97 176.59 2ysb n GLY 24 N -1.41 1.26 3.88 2.80 0.00 0.52 -5.14 105.19 107.10 2ysb n GLY 24 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 3.48 -0.26 1.61 0.52 -1.25 -4.83 118.95 118.22 2ysb s ARG 25 Ca 0.00 -0.08 -0.14 0.00 -0.52 0.00 0.00 55.73 54.99 2ysb s ARG 25 Cb 0.00 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 2ysb s ARG 25 CO 0.00 0.77 0.34 0.21 0.02 0.00 0.00 175.30 176.64 2ysb s LYS 26 N -1.03 4.02 0.07 3.54 2.20 -1.26 -0.84 119.74 126.44 2ysb s LYS 26 Ca 0.16 -0.01 0.07 0.00 -0.36 0.00 0.00 55.97 55.83 2ysb s LYS 26 Cb -0.12 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.53 2ysb s LYS 26 CO 0.05 -0.23 -0.18 1.52 -0.36 0.00 0.00 175.35 176.15 2ysb s TYR 27 N 1.91 1.60 -0.19 4.03 1.13 -0.65 -4.84 117.35 120.33 2ysb s TYR 27 Ca 0.14 -0.40 -0.07 0.00 -1.41 0.00 0.00 57.07 55.33 2ysb s TYR 27 Cb -0.16 -0.91 -0.04 0.00 -1.10 0.00 0.00 41.96 39.75 2ysb s TYR 27 CO 0.10 0.12 0.06 0.71 -2.51 0.00 0.00 175.55 174.02 2ysb s TYR 28 N -1.02 3.21 -0.12 -3.49 2.02 -0.73 -0.94 117.35 116.29 2ysb s TYR 28 Ca 0.04 -0.01 -0.05 0.00 -0.37 0.00 0.00 57.07 56.68 2ysb s TYR 28 Cb -0.09 -2.10 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 2ysb s TYR 28 CO 0.03 0.07 0.09 0.42 -1.57 0.00 0.00 175.55 174.59 2ysb s ILE 29 N 0.55 5.04 -0.39 2.71 1.01 0.68 -0.75 121.20 130.06 2ysb s ILE 29 Ca 0.03 0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.62 2ysb s ILE 29 Cb -0.13 -3.18 0.05 0.00 0.01 0.00 0.00 42.46 39.21 2ysb s ILE 29 CO 0.01 0.60 0.21 -0.62 0.00 0.00 0.00 174.94 175.13 2ysb s ASP 30 N -0.81 5.60 0.27 3.58 -1.08 0.19 -1.51 116.67 122.91 2ysb s ASP 30 Ca 0.13 -1.25 0.25 0.00 -0.52 0.00 0.00 52.55 51.16 2ysb s ASP 30 Cb -0.12 -1.97 0.72 0.00 -1.46 0.00 0.00 42.92 40.09 2ysb s ASP 30 CO 0.03 -0.44 1.74 0.45 0.52 0.00 0.00 175.17 177.47 2ysb h HIS 31 N 8.37 0.00 0.18 -5.34 3.86 -1.70 1.48 115.15 122.01 2ysb h HIS 31 Ca -0.24 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.66 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 -1.41 -0.91 0.86 0.00 0.00 177.93 177.06 2ysb h ASN 32 N 0.00 0.60 0.00 2.45 2.35 -1.92 -3.37 115.58 115.69 2ysb h ASN 32 Ca 0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 56.30 55.07 2ysb h ASN 32 Cb 0.78 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.95 2ysb h ASN 32 CO 0.00 1.54 -1.18 0.35 -1.65 0.00 0.00 177.43 176.49 2ysb n THR 33 N -3.60 0.00 -2.60 2.81 -2.24 -1.22 -5.03 114.28 102.40 2ysb n THR 33 Ca -0.14 -0.23 -0.07 0.00 -2.27 0.00 0.00 64.05 61.34 2ysb n THR 33 Cb 1.06 0.46 0.03 0.00 -2.10 0.00 0.00 70.33 69.79 2ysb n THR 33 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2ysb n ASN 34 N -1.68 -2.21 -3.98 3.42 2.85 0.50 -5.06 115.26 109.11 2ysb n ASN 34 Ca -0.01 -0.24 -0.09 0.00 -0.11 0.00 0.00 54.58 54.13 2ysb n ASN 34 Cb 0.22 -2.31 -0.10 0.00 1.24 0.00 0.00 39.78 38.83 2ysb n ASN 34 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2ysb s THR 35 N -3.14 0.14 0.14 -0.44 -4.23 -0.91 -4.93 115.64 102.27 2ysb s THR 35 Ca 0.03 -1.14 0.05 0.00 -1.18 0.00 0.00 61.69 59.45 2ysb s THR 35 Cb -0.01 -0.71 -0.04 0.00 1.34 0.00 0.00 72.50 73.08 2ysb s THR 35 CO 0.29 -0.63 0.06 0.42 -0.54 0.00 0.00 174.62 174.22 2ysb s THR 36 N -2.29 4.17 -0.07 3.99 -4.23 -1.26 0.57 115.64 116.51 2ysb s THR 36 Ca -0.08 -1.12 -0.03 0.00 -1.18 0.00 0.00 61.69 59.28 2ysb s THR 36 Cb -0.04 -3.07 0.04 0.00 1.34 0.00 0.00 72.50 70.78 2ysb s THR 36 CO -0.04 -0.03 0.16 -1.00 -0.54 0.00 0.00 174.62 173.17 2ysb s HIS 37 N -1.59 -0.18 0.28 3.99 3.76 0.07 -4.99 115.29 116.62 2ysb s HIS 37 Ca 0.29 0.55 -0.02 0.00 -0.15 0.00 0.00 55.06 55.72 2ysb s HIS 37 Cb -0.10 -0.15 0.39 0.00 1.11 0.00 0.00 32.58 33.82 2ysb s HIS 37 CO 0.21 -0.21 1.87 -1.49 -0.85 0.00 0.00 174.74 174.26 2ysb h TRP 38 N 7.70 0.96 -2.00 1.40 -0.00 -1.88 -1.94 115.95 120.18 2ysb h TRP 38 Ca -0.31 -0.05 -0.45 0.00 -0.00 0.00 0.00 58.89 58.09 2ysb h TRP 38 Cb 1.13 -0.30 0.01 0.00 -0.00 0.00 0.00 29.16 30.00 2ysb h TRP 38 CO 0.43 0.72 -0.33 -1.12 -0.00 0.00 0.00 178.44 178.14 2ysb s SER 39 N -6.46 6.04 0.36 -3.49 0.01 -1.26 -4.70 113.70 104.19 2ysb s SER 39 Ca -0.11 -0.07 -0.28 0.00 1.31 0.00 0.00 55.95 56.80 2ysb s SER 39 Cb 0.16 -1.41 -0.10 0.00 0.21 0.00 0.00 66.02 64.89 2ysb s SER 39 CO 0.80 -0.38 1.33 -2.28 0.41 0.00 0.00 173.24 173.12 2ysb s HIS 40 N -2.18 2.93 0.25 2.43 2.46 -1.26 -4.80 115.29 115.12 2ysb s HIS 40 Ca 0.43 1.38 0.20 0.00 0.47 0.00 0.00 55.06 57.54 2ysb s HIS 40 Cb -0.09 -3.72 0.85 0.00 -0.13 0.00 0.00 32.58 29.48 2ysb s HIS 40 CO 0.31 -2.07 1.82 -1.00 -2.47 0.00 0.00 174.74 171.33 2ysb h PRO 41 N 3.15 0.00 0.02 2.88 0.13 -1.93 -3.02 132.00 133.23 2ysb h PRO 41 Ca -0.49 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.37 2ysb h PRO 41 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 2ysb h PRO 41 CO 0.64 0.32 -1.44 -0.07 -0.23 0.00 0.00 178.00 177.22 2ysb h LEU 42 N 0.00 0.08 0.88 1.56 3.38 -1.96 -3.38 115.31 115.86 2ysb h LEU 42 Ca -0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 2ysb h LEU 42 Cb 0.74 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.47 2ysb h LEU 42 CO 0.04 1.10 -0.42 -0.33 0.09 0.00 0.00 178.44 178.92 2ysb h GLU 43 N 0.01 -1.14 -4.33 1.13 5.08 -1.92 -3.43 114.58 109.99 2ysb h GLU 43 Ca -0.19 0.08 -0.51 0.00 -1.00 0.00 0.00 59.36 57.74 2ysb h GLU 43 Cb 1.93 0.26 -0.35 0.00 0.50 0.00 0.00 28.75 31.09 2ysb h GLU 43 CO 0.11 -0.76 -0.80 0.45 -1.00 0.00 0.00 179.01 177.01 2ysb s SER 44 N -4.16 1.91 0.00 1.42 0.15 -1.18 -5.09 113.70 106.76 2ysb s SER 44 Ca -0.19 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.18 2ysb s SER 44 Cb 0.03 -0.80 0.00 0.00 -1.71 0.00 0.00 66.02 63.54 2ysb s SER 44 CO 0.61 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.61 2ysb n GLY 45 N 4.41 2.47 3.77 9.45 0.00 -1.26 -4.68 105.19 119.36 2ysb n GLY 45 Ca -0.18 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.62 2.54 -1.16 1.61 0.04 -1.26 -4.97 135.00 130.17 2ysb s PRO 46 Ca 0.00 1.28 -0.11 0.00 0.04 0.00 0.00 61.00 62.22 2ysb s PRO 46 Cb 0.00 -1.92 0.23 0.00 0.04 0.00 0.00 34.50 32.85 2ysb s PRO 46 CO 0.00 -1.44 1.27 -1.13 0.04 0.00 0.00 177.00 175.74 2ysb n SER 47 N -2.95 5.42 -4.26 6.66 3.41 -1.26 -4.97 113.62 115.67 2ysb n SER 47 Ca 0.10 -3.02 -0.39 0.00 -0.26 0.00 0.00 58.87 55.29 2ysb n SER 47 Cb 0.52 -1.46 -0.11 0.00 -0.26 0.00 0.00 64.21 62.91 2ysb n SER 47 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ysb s SER 48 N 1.84 5.53 0.00 4.04 0.15 -1.26 -5.38 113.70 118.62 2ysb s SER 48 Ca 0.36 -1.44 0.00 0.00 0.70 0.00 0.00 55.95 55.57 2ysb s SER 48 Cb -0.06 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 2ysb s SER 48 CO -0.04 -0.48 0.27 0.61 1.20 0.00 0.00 173.24 174.80