#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 -0.23 0.30 1.61 0.15 -1.26 -5.14 113.70 109.12 2ysb s SER 2 Ca 0.00 0.12 -0.28 0.00 0.70 0.00 0.00 55.95 56.49 2ysb s SER 2 Cb 0.00 0.22 -0.14 0.00 -1.71 0.00 0.00 66.02 64.39 2ysb s SER 2 CO 0.00 -0.31 1.04 -1.20 1.20 0.00 0.00 173.24 173.97 2ysb n SER 3 N 0.20 1.46 -4.73 5.45 7.64 -1.26 -4.99 113.62 117.40 2ysb n SER 3 Ca -0.04 1.18 -0.23 0.00 1.01 0.00 0.00 58.87 60.78 2ysb n SER 3 Cb 0.59 -1.31 -0.06 0.00 -1.01 0.00 0.00 64.21 62.41 2ysb n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ysb s GLY 4 N -0.53 1.97 0.73 0.23 0.00 -1.26 -5.14 107.32 103.31 2ysb s GLY 4 Ca 0.58 -1.84 -0.02 0.00 0.00 0.00 0.00 44.72 43.44 2ysb s GLY 4 CO 0.60 -1.77 1.01 -0.56 0.00 0.00 0.00 173.10 172.39 2ysb s SER 5 N -3.84 4.28 -0.15 1.64 0.01 -1.26 -5.10 113.70 109.28 2ysb s SER 5 Ca 0.38 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.32 2ysb s SER 5 Cb -0.02 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.16 2ysb s SER 5 CO 0.22 -1.91 -0.14 -0.55 0.41 0.00 0.00 173.24 171.27 2ysb s SER 6 N -4.74 3.79 0.00 2.44 0.15 -1.26 -5.12 113.70 108.96 2ysb s SER 6 Ca 0.67 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.90 2ysb s SER 6 Cb -0.05 -1.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 2ysb s SER 6 CO 0.45 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.61 2ysb n GLY 7 N 3.87 -0.48 0.00 9.45 0.00 -1.26 -5.00 105.19 111.78 2ysb n GLY 7 Ca -0.19 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.59 2ysb n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ysb n GLU 8 N 0.00 -0.53 -3.73 1.61 0.00 -1.26 -5.00 120.64 111.73 2ysb n GLU 8 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 57.16 56.32 2ysb n GLU 8 Cb 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 31.44 30.42 2ysb n GLU 8 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2ysb n ASP 9 N -0.05 -0.77 -3.47 -1.84 2.03 -1.26 -4.73 116.55 106.46 2ysb n ASP 9 Ca 0.00 -0.91 -0.31 0.00 0.52 0.00 0.00 54.79 54.09 2ysb n ASP 9 Cb 0.05 -1.15 0.02 0.00 -0.72 0.00 0.00 41.12 39.32 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 -3.21 -4.19 -4.57 -2.67 4.77 -1.26 -4.64 117.00 101.23 2ysb n LEU 10 Ca -0.00 0.34 -0.27 0.00 -0.03 0.00 0.00 56.01 56.04 2ysb n LEU 10 Cb 0.37 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.73 2ysb n LEU 10 CO 0.68 -4.62 1.44 -2.16 -1.33 0.00 0.00 177.39 171.40 2ysb s PRO 11 N -1.30 2.51 0.46 3.23 0.04 -1.26 -4.94 135.00 133.73 2ysb s PRO 11 Ca 0.40 -0.83 -0.22 0.00 0.04 0.00 0.00 61.00 60.39 2ysb s PRO 11 Cb -0.27 -5.17 -0.11 0.00 0.04 0.00 0.00 34.50 28.98 2ysb s PRO 11 CO 0.63 -3.77 0.69 1.28 0.04 0.00 0.00 177.00 175.87 2ysb n LEU 12 N 14.28 1.04 -4.68 -3.56 4.77 -1.26 -4.95 117.00 122.63 2ysb n LEU 12 Ca 0.43 0.90 -0.29 0.00 -0.03 0.00 0.00 56.01 57.02 2ysb n LEU 12 Cb 0.47 -1.20 0.17 0.00 -2.33 0.00 0.00 43.42 40.52 2ysb n LEU 12 CO 0.65 -2.49 0.64 -2.16 -1.33 0.00 0.00 177.39 172.70 2ysb s PRO 13 N -1.86 0.54 -0.40 3.23 0.04 -1.26 -4.93 135.00 130.35 2ysb s PRO 13 Ca 0.65 0.56 -0.28 0.00 0.04 0.00 0.00 61.00 61.97 2ysb s PRO 13 Cb -0.55 -1.75 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 2ysb s PRO 13 CO 0.56 -2.67 1.73 -1.25 0.04 0.00 0.00 177.00 175.42 2ysb s PRO 14 N -4.96 3.24 0.00 0.56 0.04 -1.26 -2.53 135.00 130.10 2ysb s PRO 14 Ca 0.65 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2ysb s PRO 14 Cb -0.18 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.15 2ysb s PRO 14 CO 0.57 -1.97 0.00 0.41 0.04 0.00 0.00 177.00 176.05 2ysb n GLY 15 N 5.41 1.59 3.92 0.56 0.00 -1.26 -4.95 105.19 110.45 2ysb n GLY 15 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.57 3.48 -0.20 1.61 0.52 -1.05 -2.20 118.94 119.54 2ysb s TRP 16 Ca 0.00 0.43 -0.08 0.00 0.02 0.00 0.00 56.10 56.47 2ysb s TRP 16 Cb 0.00 -1.92 0.08 0.00 -1.15 0.00 0.00 33.47 30.48 2ysb s TRP 16 CO 0.00 0.36 0.44 -1.54 0.02 0.00 0.00 176.95 176.23 2ysb s SER 17 N -3.01 -0.43 0.14 2.95 1.04 -0.27 -4.87 113.70 109.24 2ysb s SER 17 Ca 0.40 1.01 -0.11 0.00 0.48 0.00 0.00 55.95 57.73 2ysb s SER 17 Cb -0.11 1.18 -0.06 0.00 0.10 0.00 0.00 66.02 67.12 2ysb s SER 17 CO 0.28 -0.22 0.49 0.54 0.98 0.00 0.00 173.24 175.31 2ysb s VAL 18 N 2.12 4.97 -0.12 5.02 0.11 -1.26 0.26 120.40 131.51 2ysb s VAL 18 Ca -0.05 0.59 -0.12 0.00 -2.93 0.00 0.00 61.98 59.47 2ysb s VAL 18 Cb -0.10 -3.68 0.03 0.00 -1.53 0.00 0.00 36.38 31.10 2ysb s VAL 18 CO -0.13 0.19 0.34 -1.81 -3.33 0.00 0.00 175.10 170.36 2ysb s ASP 19 N -1.88 -0.34 -0.16 3.54 1.01 -0.22 -4.96 116.67 113.66 2ysb s ASP 19 Ca 0.38 0.64 -0.16 0.00 0.71 0.00 0.00 52.55 54.12 2ysb s ASP 19 Cb -0.14 0.67 -0.04 0.00 1.01 0.00 0.00 42.92 44.42 2ysb s ASP 19 CO 0.19 -0.15 0.40 0.26 0.21 0.00 0.00 175.17 176.08 2ysb s TRP 20 N 0.05 3.44 0.77 4.23 0.51 -1.26 -2.52 118.94 124.16 2ysb s TRP 20 Ca -0.01 0.70 -0.12 0.00 -2.12 0.00 0.00 56.10 54.55 2ysb s TRP 20 Cb -0.03 -2.49 0.05 0.00 -0.81 0.00 0.00 33.47 30.20 2ysb s TRP 20 CO 0.01 0.11 1.12 0.95 -0.51 0.00 0.00 176.95 178.63 2ysb s THR 21 N 0.89 2.89 0.21 2.01 -4.23 -0.69 -4.89 115.64 111.83 2ysb s THR 21 Ca 0.21 0.29 -0.12 0.00 -1.18 0.00 0.00 61.69 60.89 2ysb s THR 21 Cb -0.14 -3.21 0.22 0.00 1.34 0.00 0.00 72.50 70.71 2ysb s THR 21 CO 0.08 -0.38 1.64 -0.03 -0.54 0.00 0.00 174.62 175.39 2ysb h MET 22 N -0.92 0.05 -0.82 3.99 4.05 -1.98 0.84 114.93 120.13 2ysb h MET 22 Ca -0.46 -0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.09 2ysb h MET 22 Cb 1.28 -0.01 -0.09 0.00 -0.80 0.00 0.00 31.60 31.98 2ysb h MET 22 CO 0.63 0.03 0.42 -0.09 0.23 0.00 0.00 176.91 178.13 2ysb h ARG 23 N 0.05 0.61 0.00 0.39 9.65 -2.04 -3.45 114.38 119.59 2ysb h ARG 23 Ca 0.32 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 2ysb h ARG 23 Cb 0.51 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 2ysb h ARG 23 CO -0.61 0.41 0.00 0.41 2.80 0.00 0.00 179.97 182.98 2ysb n GLY 24 N -1.32 1.94 3.81 2.80 0.00 0.29 -5.10 105.19 107.60 2ysb n GLY 24 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 3.32 -0.40 1.61 0.52 -1.25 -4.86 118.95 117.89 2ysb s ARG 25 Ca 0.00 -0.22 -0.17 0.00 -0.52 0.00 0.00 55.73 54.82 2ysb s ARG 25 Cb 0.00 -3.07 0.01 0.00 0.52 0.00 0.00 34.95 32.41 2ysb s ARG 25 CO 0.00 0.74 0.45 0.21 0.02 0.00 0.00 175.30 176.72 2ysb s LYS 26 N -0.93 3.29 0.08 3.54 2.20 -1.26 -1.71 119.74 124.95 2ysb s LYS 26 Ca 0.14 -0.56 0.08 0.00 -0.36 0.00 0.00 55.97 55.27 2ysb s LYS 26 Cb -0.12 -3.91 -0.03 0.00 -1.51 0.00 0.00 37.83 32.26 2ysb s LYS 26 CO 0.03 -0.77 -0.22 1.52 -0.36 0.00 0.00 175.35 175.56 2ysb s TYR 27 N 2.22 1.87 -0.12 4.03 1.13 -1.05 -4.82 117.35 120.61 2ysb s TYR 27 Ca 0.14 -0.40 -0.06 0.00 -1.41 0.00 0.00 57.07 55.34 2ysb s TYR 27 Cb -0.16 -1.06 -0.04 0.00 -1.10 0.00 0.00 41.96 39.60 2ysb s TYR 27 CO 0.14 0.18 0.10 0.71 -2.51 0.00 0.00 175.55 174.17 2ysb s TYR 28 N -1.02 3.45 -0.12 -3.49 2.02 -0.70 -1.05 117.35 116.45 2ysb s TYR 28 Ca 0.08 0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 57.15 2ysb s TYR 28 Cb -0.10 -1.93 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 2ysb s TYR 28 CO 0.04 0.59 -0.03 0.42 -1.57 0.00 0.00 175.55 175.00 2ysb s ILE 29 N -0.78 3.99 -0.39 2.71 1.01 0.14 -1.03 121.20 126.86 2ysb s ILE 29 Ca 0.13 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.34 2ysb s ILE 29 Cb -0.12 -2.70 0.06 0.00 0.01 0.00 0.00 42.46 39.71 2ysb s ILE 29 CO 0.03 0.55 0.21 -0.62 0.00 0.00 0.00 174.94 175.10 2ysb s ASP 30 N -0.26 5.58 0.41 3.58 -1.08 0.16 -1.11 116.67 123.95 2ysb s ASP 30 Ca 0.05 -1.29 0.21 0.00 -0.52 0.00 0.00 52.55 51.01 2ysb s ASP 30 Cb -0.13 -1.97 0.29 0.00 -1.46 0.00 0.00 42.92 39.66 2ysb s ASP 30 CO 0.02 -0.45 1.58 0.45 0.52 0.00 0.00 175.17 177.29 2ysb h HIS 31 N 8.37 0.00 0.06 -5.34 3.86 -1.73 1.34 115.15 121.70 2ysb h HIS 31 Ca -0.23 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 0.00 0.00 1.06 0.00 0.00 27.41 29.56 2ysb h HIS 31 CO 0.60 0.11 -1.06 -0.91 0.86 0.00 0.00 177.93 177.52 2ysb h ASN 32 N 0.00 0.43 0.00 2.45 2.35 -1.92 -3.34 115.58 115.55 2ysb h ASN 32 Ca -0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 56.30 55.35 2ysb h ASN 32 Cb 1.08 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.31 2ysb h ASN 32 CO 0.01 1.24 -1.14 0.35 -1.65 0.00 0.00 177.43 176.25 2ysb n THR 33 N -3.63 0.00 -2.93 2.81 -2.24 -1.23 -5.02 114.28 102.04 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 0.91 0.51 0.04 0.00 -2.10 0.00 0.00 70.33 69.70 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 -1.65 -3.43 -3.97 3.42 3.02 0.45 -5.05 115.26 108.06 2ysb n ASN 34 Ca -0.01 -0.28 -0.09 0.00 -0.03 0.00 0.00 54.58 54.17 2ysb n ASN 34 Cb 0.23 -2.78 -0.10 0.00 -0.61 0.00 0.00 39.78 36.52 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 0.13 0.28 3.41 -4.23 -0.77 -4.94 115.64 106.35 2ysb s THR 35 Ca 0.19 -1.09 0.07 0.00 -1.18 0.00 0.00 61.69 59.68 2ysb s THR 35 Cb -0.08 -0.70 -0.03 0.00 1.34 0.00 0.00 72.50 73.02 2ysb s THR 35 CO 0.36 -0.60 0.21 0.42 -0.54 0.00 0.00 174.62 174.48 2ysb s THR 36 N -2.24 4.10 -0.14 3.99 -4.23 -1.26 0.39 115.64 116.25 2ysb s THR 36 Ca -0.08 -1.42 -0.06 0.00 -1.18 0.00 0.00 61.69 58.94 2ysb s THR 36 Cb -0.04 -3.30 0.06 0.00 1.34 0.00 0.00 72.50 70.56 2ysb s THR 36 CO -0.03 -0.30 0.31 -1.00 -0.54 0.00 0.00 174.62 173.06 2ysb s HIS 37 N -2.20 -0.47 0.28 3.99 3.76 -0.19 -4.97 115.29 115.49 2ysb s HIS 37 Ca 0.35 1.03 -0.03 0.00 -0.15 0.00 0.00 55.06 56.27 2ysb s HIS 37 Cb -0.07 0.10 0.38 0.00 1.11 0.00 0.00 32.58 34.10 2ysb s HIS 37 CO 0.25 -0.32 1.92 -1.49 -0.85 0.00 0.00 174.74 174.25 2ysb h TRP 38 N 7.59 1.06 -2.16 1.40 -0.00 -1.88 -1.86 115.95 120.10 2ysb h TRP 38 Ca -0.30 -0.01 -0.47 0.00 -0.00 0.00 0.00 58.89 58.11 2ysb h TRP 38 Cb 1.15 -0.35 -0.02 0.00 -0.00 0.00 0.00 29.16 29.94 2ysb h TRP 38 CO 0.33 0.72 -0.45 -1.12 -0.00 0.00 0.00 178.44 177.92 2ysb s SER 39 N -6.33 6.07 0.35 -3.49 0.01 -1.26 -4.69 113.70 104.36 2ysb s SER 39 Ca -0.12 -0.04 -0.28 0.00 1.31 0.00 0.00 55.95 56.82 2ysb s SER 39 Cb 0.17 -1.68 -0.10 0.00 0.21 0.00 0.00 66.02 64.62 2ysb s SER 39 CO 0.80 -0.09 1.31 -2.28 0.41 0.00 0.00 173.24 173.39 2ysb s HIS 40 N -2.04 2.98 0.23 2.43 2.46 -1.26 -4.81 115.29 115.28 2ysb s HIS 40 Ca 0.35 1.41 0.22 0.00 0.47 0.00 0.00 55.06 57.51 2ysb s HIS 40 Cb -0.09 -3.69 0.96 0.00 -0.13 0.00 0.00 32.58 29.64 2ysb s HIS 40 CO 0.28 -1.95 1.86 -1.00 -2.47 0.00 0.00 174.74 171.46 2ysb h PRO 41 N 3.21 0.00 0.07 2.88 0.13 -1.96 -3.03 132.00 133.30 2ysb h PRO 41 Ca -0.49 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.35 2ysb h PRO 41 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2ysb h PRO 41 CO 0.65 0.26 -1.47 -0.07 -0.23 0.00 0.00 178.00 177.13 2ysb h LEU 42 N 0.00 0.24 -0.80 1.56 3.38 -1.98 -3.33 115.31 114.38 2ysb h LEU 42 Ca -0.00 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.67 2ysb h LEU 42 Cb 0.68 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 2ysb h LEU 42 CO 0.03 1.29 0.49 -0.33 0.09 0.00 0.00 178.44 180.01 2ysb h GLU 43 N 0.04 0.90 -6.89 1.13 5.08 -1.92 -3.42 114.58 109.49 2ysb h GLU 43 Ca -0.21 -0.05 -0.56 0.00 -1.00 0.00 0.00 59.36 57.54 2ysb h GLU 43 Cb 1.97 -0.20 0.13 0.00 0.50 0.00 0.00 28.75 31.14 2ysb h GLU 43 CO 0.14 0.59 0.53 -1.13 -1.00 0.00 0.00 179.01 178.14 2ysb n SER 44 N -4.64 2.65 -2.81 1.42 3.41 -1.21 -5.01 113.62 107.43 2ysb n SER 44 Ca 0.10 1.08 -0.06 0.00 -0.26 0.00 0.00 58.87 59.73 2ysb n SER 44 Cb 0.14 -1.53 0.03 0.00 -0.26 0.00 0.00 64.21 62.59 2ysb n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ysb n GLY 45 N 0.78 1.30 0.00 5.00 0.00 -1.26 -4.95 105.19 106.06 2ysb n GLY 45 Ca 0.07 -2.06 0.06 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.47 0.48 -3.40 1.61 -0.04 -1.26 -4.83 135.00 126.10 2ysb n PRO 46 Ca 0.05 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.32 2ysb n PRO 46 Cb 0.18 -1.39 0.07 0.00 -0.04 0.00 0.00 33.50 32.32 2ysb n PRO 46 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ysb n SER 47 N -0.89 -4.55 -4.42 3.54 7.64 -1.26 -5.02 113.62 108.66 2ysb n SER 47 Ca 0.09 -0.50 -0.29 0.00 1.01 0.00 0.00 58.87 59.18 2ysb n SER 47 Cb 0.04 -4.53 -0.12 0.00 -1.01 0.00 0.00 64.21 58.59 2ysb n SER 47 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2ysb s SER 48 N -3.60 3.51 0.00 6.43 0.15 -1.26 -5.33 113.70 113.60 2ysb s SER 48 Ca 0.34 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2ysb s SER 48 Cb -0.15 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.83 2ysb s SER 48 CO 0.64 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.87