#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 -0.38 -0.05 1.61 0.01 -1.26 -5.06 113.70 108.57 2ysb s SER 2 Ca 0.00 0.70 -0.26 0.00 1.31 0.00 0.00 55.95 57.70 2ysb s SER 2 Cb 0.00 0.59 -0.22 0.00 0.21 0.00 0.00 66.02 66.60 2ysb s SER 2 CO 0.00 -0.17 1.08 0.77 0.41 0.00 0.00 173.24 175.32 2ysb h SER 3 N 7.04 0.11 0.00 2.44 4.64 -2.10 -3.48 113.55 122.21 2ysb h SER 3 Ca -0.38 -0.70 0.00 0.00 -0.47 0.00 0.00 61.79 60.24 2ysb h SER 3 Cb 1.17 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2ysb h SER 3 CO 0.33 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 177.70 2ysb n GLY 4 N 0.82 -0.75 3.42 -0.77 0.00 -1.26 -5.08 105.19 101.56 2ysb n GLY 4 Ca -0.09 0.41 -0.50 0.00 0.00 0.00 0.00 46.02 45.83 2ysb n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ysb n SER 5 N 0.00 1.64 -3.63 1.61 3.41 -1.26 -4.87 113.62 110.53 2ysb n SER 5 Ca 0.00 0.37 -0.09 0.00 -0.26 0.00 0.00 58.87 58.88 2ysb n SER 5 Cb 0.00 -1.17 -0.07 0.00 -0.26 0.00 0.00 64.21 62.71 2ysb n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2ysb s SER 6 N 7.64 -0.43 -0.59 4.04 0.15 -1.26 -5.12 113.70 118.13 2ysb s SER 6 Ca 1.14 0.76 0.04 0.00 0.70 0.00 0.00 55.95 58.59 2ysb s SER 6 Cb -0.98 0.74 0.15 0.00 -1.71 0.00 0.00 66.02 64.22 2ysb s SER 6 CO 0.51 -0.19 0.35 -0.83 1.20 0.00 0.00 173.24 174.28 2ysb s GLY 7 N -0.05 2.63 -0.84 9.45 0.00 -1.26 -5.04 107.32 112.21 2ysb s GLY 7 Ca 0.02 -3.50 -0.22 0.00 0.00 0.00 0.00 44.72 41.02 2ysb s GLY 7 CO -0.05 1.05 1.18 -0.54 0.00 0.00 0.00 173.10 174.74 2ysb s GLU 8 N -0.76 3.38 0.00 2.90 2.02 -1.26 -4.89 118.70 120.09 2ysb s GLU 8 Ca 0.20 -1.07 -0.04 0.00 0.02 0.00 0.00 54.97 54.09 2ysb s GLU 8 Cb -0.17 -4.68 -0.16 0.00 0.10 0.00 0.00 34.13 29.21 2ysb s GLU 8 CO -0.07 -1.95 2.81 -3.47 0.02 0.00 0.00 175.26 172.60 2ysb n ASP 9 N 7.94 4.72 -4.15 -0.19 -0.08 -1.26 -4.94 116.55 118.58 2ysb n ASP 9 Ca 0.14 -2.34 -0.36 0.00 -1.51 0.00 0.00 54.79 50.72 2ysb n ASP 9 Cb 0.48 -1.19 0.05 0.00 2.34 0.00 0.00 41.12 42.81 2ysb n ASP 9 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2ysb n LEU 10 N 2.23 -4.11 -4.57 -2.67 4.77 -1.26 -4.70 117.00 106.69 2ysb n LEU 10 Ca 0.26 0.34 -0.27 0.00 -0.03 0.00 0.00 56.01 56.31 2ysb n LEU 10 Cb 0.70 -0.88 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 2ysb n LEU 10 CO 0.09 -5.18 1.39 -2.16 -1.33 0.00 0.00 177.39 170.20 2ysb s PRO 11 N -2.08 2.54 0.42 3.23 0.04 -1.26 -4.94 135.00 132.94 2ysb s PRO 11 Ca 0.48 -0.56 -0.22 0.00 0.04 0.00 0.00 61.00 60.74 2ysb s PRO 11 Cb -0.27 -5.12 -0.12 0.00 0.04 0.00 0.00 34.50 29.03 2ysb s PRO 11 CO 0.75 -3.57 0.60 1.28 0.04 0.00 0.00 177.00 176.11 2ysb n LEU 12 N 14.11 0.33 -4.68 -3.56 4.77 -1.26 -4.95 117.00 121.76 2ysb n LEU 12 Ca 0.42 0.92 -0.29 0.00 -0.03 0.00 0.00 56.01 57.03 2ysb n LEU 12 Cb 0.47 -1.14 0.17 0.00 -2.33 0.00 0.00 43.42 40.59 2ysb n LEU 12 CO 0.62 -2.72 0.64 -2.16 -1.33 0.00 0.00 177.39 172.45 2ysb s PRO 13 N -1.65 0.46 -0.34 3.23 0.04 -1.26 -4.94 135.00 130.55 2ysb s PRO 13 Ca 0.64 0.54 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 2ysb s PRO 13 Cb -0.60 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 2ysb s PRO 13 CO 0.58 -2.71 1.70 -1.25 0.04 0.00 0.00 177.00 175.35 2ysb s PRO 14 N -4.96 3.42 0.00 0.56 0.04 -1.26 -2.57 135.00 130.23 2ysb s PRO 14 Ca 0.65 1.33 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2ysb s PRO 14 Cb -0.19 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.21 2ysb s PRO 14 CO 0.58 -1.75 0.00 0.41 0.04 0.00 0.00 177.00 176.28 2ysb n GLY 15 N 5.30 1.83 3.91 0.56 0.00 -1.26 -4.94 105.19 110.60 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 -1.77 3.48 -0.19 1.61 0.52 -1.06 -2.55 118.94 118.98 2ysb s TRP 16 Ca 0.00 0.60 -0.08 0.00 0.02 0.00 0.00 56.10 56.63 2ysb s TRP 16 Cb 0.00 -2.07 0.08 0.00 -1.15 0.00 0.00 33.47 30.33 2ysb s TRP 16 CO 0.00 0.18 0.43 -1.54 0.02 0.00 0.00 176.95 176.05 2ysb s SER 17 N -3.23 -0.41 0.17 2.95 1.04 -0.55 -4.89 113.70 108.78 2ysb s SER 17 Ca 0.43 0.99 -0.10 0.00 0.48 0.00 0.00 55.95 57.74 2ysb s SER 17 Cb -0.11 1.13 -0.07 0.00 0.10 0.00 0.00 66.02 67.08 2ysb s SER 17 CO 0.30 -0.22 0.50 0.54 0.98 0.00 0.00 173.24 175.35 2ysb s VAL 18 N 2.07 4.97 -0.06 5.02 0.11 -1.26 -0.10 120.40 131.15 2ysb s VAL 18 Ca -0.05 0.52 -0.16 0.00 -2.93 0.00 0.00 61.98 59.36 2ysb s VAL 18 Cb -0.10 -3.66 0.03 0.00 -1.53 0.00 0.00 36.38 31.12 2ysb s VAL 18 CO -0.13 0.10 0.37 -0.62 -3.33 0.00 0.00 175.10 171.49 2ysb s ASP 19 N -2.06 -0.31 -0.23 3.54 -1.08 -0.34 -4.96 116.67 111.22 2ysb s ASP 19 Ca 0.41 0.38 -0.10 0.00 -0.52 0.00 0.00 52.55 52.72 2ysb s ASP 19 Cb -0.13 0.50 -0.05 0.00 -1.46 0.00 0.00 42.92 41.78 2ysb s ASP 19 CO 0.20 -0.36 0.15 0.26 0.52 0.00 0.00 175.17 175.95 2ysb s TRP 20 N -0.80 3.33 0.77 -5.34 0.51 -1.26 -1.87 118.94 114.28 2ysb s TRP 20 Ca -0.09 0.24 -0.12 0.00 -2.12 0.00 0.00 56.10 54.01 2ysb s TRP 20 Cb -0.04 -2.25 0.05 0.00 -0.81 0.00 0.00 33.47 30.42 2ysb s TRP 20 CO 0.04 0.10 1.13 0.95 -0.51 0.00 0.00 176.95 178.65 2ysb s THR 21 N 0.96 2.77 0.12 2.01 -4.23 -0.63 -4.89 115.64 111.75 2ysb s THR 21 Ca 0.08 0.25 -0.25 0.00 -1.18 0.00 0.00 61.69 60.58 2ysb s THR 21 Cb -0.13 -3.20 -0.07 0.00 1.34 0.00 0.00 72.50 70.44 2ysb s THR 21 CO 0.04 -0.33 1.44 -0.03 -0.54 0.00 0.00 174.62 175.19 2ysb h MET 22 N -0.92 -0.09 -0.90 3.99 1.85 -1.98 0.12 114.93 117.00 2ysb h MET 22 Ca -0.46 0.01 0.19 0.00 -0.61 0.00 0.00 59.70 58.83 2ysb h MET 22 Cb 1.29 0.02 -0.17 0.00 0.43 0.00 0.00 31.60 33.17 2ysb h MET 22 CO 0.64 -0.06 -0.18 -0.09 -0.40 0.00 0.00 176.91 176.82 2ysb h ARG 23 N -0.09 0.01 0.00 0.39 1.12 -2.05 -3.44 114.38 110.32 2ysb h ARG 23 Ca 0.11 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.98 2ysb h ARG 23 Cb 0.37 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.33 2ysb h ARG 23 CO -0.68 0.01 0.00 0.41 -3.11 0.00 0.00 179.97 176.60 2ysb n GLY 24 N -1.55 1.28 3.86 2.80 0.00 0.41 -5.14 105.19 106.85 2ysb n GLY 24 Ca 0.15 0.00 -0.36 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 3.75 -0.32 1.61 0.52 -1.25 -4.84 118.95 118.42 2ysb s ARG 25 Ca 0.00 0.19 -0.14 0.00 -0.52 0.00 0.00 55.73 55.25 2ysb s ARG 25 Cb 0.00 -3.13 -0.02 0.00 0.52 0.00 0.00 34.95 32.32 2ysb s ARG 25 CO 0.00 0.66 0.33 0.21 0.02 0.00 0.00 175.30 176.53 2ysb s LYS 26 N -1.41 3.72 0.02 3.54 2.20 -1.26 -1.60 119.74 124.95 2ysb s LYS 26 Ca 0.26 -0.31 0.07 0.00 -0.36 0.00 0.00 55.97 55.63 2ysb s LYS 26 Cb -0.15 -3.75 -0.02 0.00 -1.51 0.00 0.00 37.83 32.40 2ysb s LYS 26 CO 0.14 -0.41 -0.19 1.52 -0.36 0.00 0.00 175.35 176.04 2ysb s TYR 27 N 1.98 1.72 -0.19 4.03 1.13 -0.78 -4.83 117.35 120.40 2ysb s TYR 27 Ca 0.12 -0.35 -0.10 0.00 -1.41 0.00 0.00 57.07 55.32 2ysb s TYR 27 Cb -0.16 -1.05 -0.05 0.00 -1.10 0.00 0.00 41.96 39.60 2ysb s TYR 27 CO 0.11 0.04 0.14 0.71 -2.51 0.00 0.00 175.55 174.05 2ysb s TYR 28 N -0.68 3.42 -0.13 -3.49 2.02 -0.64 -1.20 117.35 116.66 2ysb s TYR 28 Ca 0.07 0.36 -0.07 0.00 -0.37 0.00 0.00 57.07 57.06 2ysb s TYR 28 Cb -0.08 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.28 2ysb s TYR 28 CO 0.01 0.31 0.11 0.42 -1.57 0.00 0.00 175.55 174.83 2ysb s ILE 29 N 0.28 5.24 -0.39 2.71 1.01 0.86 -0.12 121.20 130.80 2ysb s ILE 29 Ca 0.09 0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.77 2ysb s ILE 29 Cb -0.11 -3.30 0.06 0.00 0.01 0.00 0.00 42.46 39.12 2ysb s ILE 29 CO -0.01 0.58 0.21 -0.62 0.00 0.00 0.00 174.94 175.09 2ysb s ASP 30 N -0.69 5.58 0.35 3.58 -1.08 0.27 -1.48 116.67 123.20 2ysb s ASP 30 Ca 0.13 -1.30 0.19 0.00 -0.52 0.00 0.00 52.55 51.05 2ysb s ASP 30 Cb -0.12 -1.96 0.18 0.00 -1.46 0.00 0.00 42.92 39.56 2ysb s ASP 30 CO 0.03 -0.45 1.51 0.45 0.52 0.00 0.00 175.17 177.23 2ysb h HIS 31 N 8.36 0.00 -0.03 -5.34 3.86 -1.78 1.46 115.15 121.69 2ysb h HIS 31 Ca -0.23 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.78 2ysb h HIS 31 Cb 1.09 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.55 2ysb h HIS 31 CO 0.60 0.28 -0.83 -0.91 0.86 0.00 0.00 177.93 177.92 2ysb h ASN 32 N 0.00 0.42 0.00 2.45 2.35 -1.92 -3.33 115.58 115.55 2ysb h ASN 32 Ca -0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 2ysb h ASN 32 Cb 1.21 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.46 2ysb h ASN 32 CO 0.04 1.08 -1.28 0.35 -1.65 0.00 0.00 177.43 175.97 2ysb n THR 33 N -3.76 0.00 -2.69 2.81 -2.24 -1.23 -5.03 114.28 102.14 2ysb n THR 33 Ca -0.05 -0.22 -0.07 0.00 -2.27 0.00 0.00 64.05 61.45 2ysb n THR 33 Cb 0.77 0.39 0.03 0.00 -2.10 0.00 0.00 70.33 69.42 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 -1.73 -2.87 -3.94 3.42 5.15 0.49 -5.06 115.26 110.71 2ysb n ASN 34 Ca -0.01 -0.17 -0.10 0.00 -0.60 0.00 0.00 54.58 53.70 2ysb n ASN 34 Cb 0.23 -1.90 -0.10 0.00 -0.53 0.00 0.00 39.78 37.47 2ysb n ASN 34 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2ysb s THR 35 N -3.10 0.11 0.15 -0.44 -4.23 -0.63 -4.93 115.64 102.57 2ysb s THR 35 Ca 0.12 -0.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.74 2ysb s THR 35 Cb -0.05 -0.49 -0.04 0.00 1.34 0.00 0.00 72.50 73.26 2ysb s THR 35 CO 0.22 -0.51 0.17 0.42 -0.54 0.00 0.00 174.62 174.38 2ysb s THR 36 N -1.78 4.73 -0.04 3.99 -4.23 -1.26 0.94 115.64 118.00 2ysb s THR 36 Ca -0.12 -0.92 -0.01 0.00 -1.18 0.00 0.00 61.69 59.45 2ysb s THR 36 Cb -0.07 -3.40 0.03 0.00 1.34 0.00 0.00 72.50 70.40 2ysb s THR 36 CO -0.01 -0.07 0.03 -1.00 -0.54 0.00 0.00 174.62 173.03 2ysb s HIS 37 N -1.70 0.17 0.26 3.99 3.76 0.83 -4.96 115.29 117.65 2ysb s HIS 37 Ca 0.32 0.12 -0.05 0.00 -0.15 0.00 0.00 55.06 55.30 2ysb s HIS 37 Cb -0.11 -0.43 0.30 0.00 1.11 0.00 0.00 32.58 33.46 2ysb s HIS 37 CO 0.25 -0.16 1.91 -1.49 -0.85 0.00 0.00 174.74 174.39 2ysb h TRP 38 N 7.85 1.18 -1.81 1.40 -0.00 -1.88 -1.69 115.95 120.99 2ysb h TRP 38 Ca -0.29 0.00 -0.44 0.00 -0.00 0.00 0.00 58.89 58.16 2ysb h TRP 38 Cb 1.12 -0.39 0.00 0.00 -0.00 0.00 0.00 29.16 29.90 2ysb h TRP 38 CO 0.49 0.78 -0.35 -1.12 -0.00 0.00 0.00 178.44 178.24 2ysb s SER 39 N -6.23 5.98 0.36 -3.49 0.01 -1.26 -4.67 113.70 104.40 2ysb s SER 39 Ca -0.12 -0.18 -0.28 0.00 1.31 0.00 0.00 55.95 56.68 2ysb s SER 39 Cb 0.17 -1.25 -0.10 0.00 0.21 0.00 0.00 66.02 65.05 2ysb s SER 39 CO 0.81 -0.42 1.34 -2.28 0.41 0.00 0.00 173.24 173.11 2ysb s HIS 40 N -2.17 2.90 0.29 2.43 2.46 -1.26 -4.78 115.29 115.16 2ysb s HIS 40 Ca 0.45 1.36 0.16 0.00 0.47 0.00 0.00 55.06 57.50 2ysb s HIS 40 Cb -0.09 -3.75 0.72 0.00 -0.13 0.00 0.00 32.58 29.32 2ysb s HIS 40 CO 0.31 -2.15 1.78 -1.00 -2.47 0.00 0.00 174.74 171.21 2ysb h PRO 41 N 3.15 0.00 0.05 2.88 0.13 -1.97 -3.07 132.00 133.16 2ysb h PRO 41 Ca -0.49 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.36 2ysb h PRO 41 Cb 1.23 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 2ysb h PRO 41 CO 0.65 0.39 -1.42 -0.07 -0.23 0.00 0.00 178.00 177.32 2ysb h LEU 42 N 0.00 0.15 -8.56 1.56 3.38 -1.96 -3.44 115.31 106.44 2ysb h LEU 42 Ca -0.00 -0.22 -0.45 0.00 0.09 0.00 0.00 57.88 57.29 2ysb h LEU 42 Cb 0.79 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2ysb h LEU 42 CO 0.05 1.18 1.61 -0.62 0.09 0.00 0.00 178.44 180.76 2ysb n GLU 43 N -3.30 0.95 -3.59 1.13 1.02 -1.16 -4.84 120.64 110.85 2ysb n GLU 43 Ca -0.12 -0.03 -0.01 0.00 -0.02 0.00 0.00 57.16 56.98 2ysb n GLU 43 Cb 1.01 -3.32 -0.06 0.00 -0.02 0.00 0.00 31.44 29.05 2ysb n GLU 43 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ysb s SER 44 N 12.01 -0.54 0.00 1.62 0.15 -1.26 -4.85 113.70 120.82 2ysb s SER 44 Ca 1.01 0.84 0.00 0.00 0.70 0.00 0.00 55.95 58.49 2ysb s SER 44 Cb -0.25 1.34 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 2ysb s SER 44 CO 0.27 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.20 2ysb n GLY 45 N 4.05 0.53 3.77 9.45 0.00 -1.26 -5.14 105.19 116.59 2ysb n GLY 45 Ca -0.16 0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 0.50 2.71 -0.14 1.61 0.04 -1.26 -5.00 135.00 133.47 2ysb s PRO 46 Ca 0.00 1.36 -0.03 0.00 0.04 0.00 0.00 61.00 62.36 2ysb s PRO 46 Cb 0.00 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 2ysb s PRO 46 CO 0.00 -1.31 -0.15 0.43 0.04 0.00 0.00 177.00 176.01 2ysb n SER 47 N -2.59 1.92 -1.98 6.66 7.64 -1.26 -4.62 113.62 119.39 2ysb n SER 47 Ca 0.10 0.06 -0.17 0.00 1.01 0.00 0.00 58.87 59.87 2ysb n SER 47 Cb 0.52 -0.32 0.01 0.00 -1.01 0.00 0.00 64.21 63.41 2ysb n SER 47 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2ysb n SER 48 N -3.28 6.34 0.00 6.43 2.88 -1.26 -5.32 113.62 119.41 2ysb n SER 48 Ca -0.26 -3.02 0.12 0.00 -1.33 0.00 0.00 58.87 54.38 2ysb n SER 48 Cb 0.72 -1.11 0.71 0.00 -0.75 0.00 0.00 64.21 63.78 2ysb n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42