#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 4.00 0.73 1.61 1.04 -1.26 -5.05 113.70 114.77 2ysb s SER 2 Ca 0.00 0.33 -0.12 0.00 0.48 0.00 0.00 55.95 56.64 2ysb s SER 2 Cb 0.00 -0.66 0.04 0.00 0.10 0.00 0.00 66.02 65.49 2ysb s SER 2 CO 0.00 -2.16 1.10 -0.55 0.98 0.00 0.00 173.24 172.61 2ysb s SER 3 N -4.71 4.73 0.00 7.02 0.15 -1.26 -4.79 113.70 114.84 2ysb s SER 3 Ca 0.67 1.87 0.00 0.00 0.70 0.00 0.00 55.95 59.19 2ysb s SER 3 Cb -0.07 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2ysb s SER 3 CO 0.49 -1.88 0.00 0.61 1.20 0.00 0.00 173.24 173.66 2ysb n GLY 4 N -1.01 -1.86 2.92 9.45 0.00 -1.26 -5.11 105.19 108.32 2ysb n GLY 4 Ca 0.09 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 2ysb n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysb s SER 5 N 0.00 0.77 -0.94 1.61 0.01 -1.26 -4.82 113.70 109.07 2ysb s SER 5 Ca 0.00 -0.11 -0.05 0.00 1.31 0.00 0.00 55.95 57.10 2ysb s SER 5 Cb 0.00 -0.27 0.01 0.00 0.21 0.00 0.00 66.02 65.97 2ysb s SER 5 CO 0.00 -0.00 0.81 -0.24 0.41 0.00 0.00 173.24 174.22 2ysb n SER 6 N 3.58 -4.60 -3.26 2.44 2.88 -1.26 -5.00 113.62 108.40 2ysb n SER 6 Ca -0.21 -0.39 0.03 0.00 -1.33 0.00 0.00 58.87 56.98 2ysb n SER 6 Cb 0.54 -3.70 -0.03 0.00 -0.75 0.00 0.00 64.21 60.26 2ysb n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ysb s GLY 7 N -3.34 -0.14 -0.06 0.46 0.00 -1.26 -4.91 107.32 98.07 2ysb s GLY 7 Ca 0.35 3.09 0.08 0.00 0.00 0.00 0.00 44.72 48.24 2ysb s GLY 7 CO 0.51 3.47 1.02 1.18 0.00 0.00 0.00 173.10 179.28 2ysb n GLU 8 N 5.05 0.80 -3.66 2.90 -0.58 -1.26 -4.99 120.64 118.90 2ysb n GLU 8 Ca -0.08 -1.67 -0.26 0.00 -0.42 0.00 0.00 57.16 54.74 2ysb n GLU 8 Cb 0.54 -0.97 -0.04 0.00 -0.57 0.00 0.00 31.44 30.40 2ysb n GLU 8 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2ysb n ASP 9 N -0.65 -2.10 -4.26 1.62 -0.08 -1.26 -4.82 116.55 105.00 2ysb n ASP 9 Ca 0.07 -0.53 -0.36 0.00 -1.51 0.00 0.00 54.79 52.46 2ysb n ASP 9 Cb 0.62 -1.82 0.06 0.00 2.34 0.00 0.00 41.12 42.32 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 -3.54 -2.49 -4.57 -2.67 4.77 -1.26 -4.73 117.00 102.51 2ysb n LEU 10 Ca 0.05 0.41 -0.27 0.00 -0.03 0.00 0.00 56.01 56.17 2ysb n LEU 10 Cb 0.49 -1.00 -0.06 0.00 -2.33 0.00 0.00 43.42 40.53 2ysb n LEU 10 CO 0.57 -4.50 1.42 -2.16 -1.33 0.00 0.00 177.39 171.39 2ysb s PRO 11 N -2.36 2.51 0.43 3.23 0.04 -1.26 -4.94 135.00 132.66 2ysb s PRO 11 Ca 0.54 -0.74 -0.21 0.00 0.04 0.00 0.00 61.00 60.63 2ysb s PRO 11 Cb -0.29 -5.15 -0.15 0.00 0.04 0.00 0.00 34.50 28.94 2ysb s PRO 11 CO 0.70 -3.70 0.10 1.28 0.04 0.00 0.00 177.00 175.42 2ysb n LEU 12 N 14.23 -2.63 -4.69 -3.56 4.77 -1.26 -4.92 117.00 118.94 2ysb n LEU 12 Ca 0.43 0.79 -0.29 0.00 -0.03 0.00 0.00 56.01 56.90 2ysb n LEU 12 Cb 0.47 -0.91 0.16 0.00 -2.33 0.00 0.00 43.42 40.81 2ysb n LEU 12 CO 0.64 -4.16 0.65 -2.16 -1.33 0.00 0.00 177.39 171.03 2ysb s PRO 13 N -1.10 0.78 -0.63 3.23 0.04 -1.26 -4.92 135.00 131.14 2ysb s PRO 13 Ca 0.60 0.65 -0.26 0.00 0.04 0.00 0.00 61.00 62.02 2ysb s PRO 13 Cb -0.60 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 2ysb s PRO 13 CO 0.63 -2.53 1.87 -1.25 0.04 0.00 0.00 177.00 175.76 2ysb s PRO 14 N -4.95 2.62 0.00 0.56 0.04 -1.26 -2.55 135.00 129.46 2ysb s PRO 14 Ca 0.64 0.55 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2ysb s PRO 14 Cb -0.18 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 29.93 2ysb s PRO 14 CO 0.57 -2.78 0.00 0.41 0.04 0.00 0.00 177.00 175.25 2ysb n GLY 15 N 5.77 -0.29 3.77 0.56 0.00 -1.26 -4.97 105.19 108.77 2ysb n GLY 15 Ca 0.22 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 -0.65 2.77 -0.28 1.61 0.52 -1.06 -0.90 118.94 120.96 2ysb s TRP 16 Ca 0.00 -0.36 -0.14 0.00 0.02 0.00 0.00 56.10 55.63 2ysb s TRP 16 Cb 0.00 -1.69 0.09 0.00 -1.15 0.00 0.00 33.47 30.73 2ysb s TRP 16 CO 0.00 0.29 0.66 -1.54 0.02 0.00 0.00 176.95 176.38 2ysb s SER 17 N -3.89 -0.96 0.12 2.95 1.04 -0.23 -4.93 113.70 107.80 2ysb s SER 17 Ca 0.39 1.49 -0.11 0.00 0.48 0.00 0.00 55.95 58.20 2ysb s SER 17 Cb -0.03 1.60 -0.06 0.00 0.10 0.00 0.00 66.02 67.62 2ysb s SER 17 CO 0.24 -0.23 0.46 0.54 0.98 0.00 0.00 173.24 175.22 2ysb s VAL 18 N 1.98 5.01 -0.16 5.02 0.11 -1.26 0.20 120.40 131.30 2ysb s VAL 18 Ca -0.09 0.52 -0.15 0.00 -2.93 0.00 0.00 61.98 59.33 2ysb s VAL 18 Cb -0.07 -3.66 0.04 0.00 -1.53 0.00 0.00 36.38 31.16 2ysb s VAL 18 CO -0.19 0.21 0.44 -0.62 -3.33 0.00 0.00 175.10 171.60 2ysb s ASP 19 N -1.88 -0.46 -0.09 3.54 -1.08 0.02 -4.97 116.67 111.75 2ysb s ASP 19 Ca 0.37 0.88 -0.18 0.00 -0.52 0.00 0.00 52.55 53.11 2ysb s ASP 19 Cb -0.14 0.89 -0.05 0.00 -1.46 0.00 0.00 42.92 42.17 2ysb s ASP 19 CO 0.19 -0.15 0.47 0.26 0.52 0.00 0.00 175.17 176.46 2ysb s TRP 20 N 0.29 3.57 0.70 -5.34 0.51 -1.26 -1.71 118.94 115.70 2ysb s TRP 20 Ca -0.00 0.93 -0.10 0.00 -2.12 0.00 0.00 56.10 54.80 2ysb s TRP 20 Cb -0.03 -2.51 0.03 0.00 -0.81 0.00 0.00 33.47 30.15 2ysb s TRP 20 CO -0.00 0.27 1.07 0.95 -0.51 0.00 0.00 176.95 178.74 2ysb s THR 21 N 0.23 3.21 0.20 2.01 -4.23 0.40 -4.89 115.64 112.57 2ysb s THR 21 Ca 0.26 0.29 -0.15 0.00 -1.18 0.00 0.00 61.69 60.91 2ysb s THR 21 Cb -0.16 -3.37 0.20 0.00 1.34 0.00 0.00 72.50 70.51 2ysb s THR 21 CO 0.11 -0.47 1.63 0.24 -0.54 0.00 0.00 174.62 175.59 2ysb h MET 22 N -0.64 -0.03 -0.95 3.99 2.86 -1.98 0.13 114.93 118.31 2ysb h MET 22 Ca -0.45 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.35 2ysb h MET 22 Cb 1.27 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 32.84 2ysb h MET 22 CO 0.63 -0.02 0.56 0.00 1.06 0.00 0.00 176.91 179.14 2ysb h ARG 23 N -0.03 0.74 0.00 1.72 2.47 -2.04 -3.45 114.38 113.78 2ysb h ARG 23 Ca 0.28 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 2ysb h ARG 23 Cb 0.46 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 2ysb h ARG 23 CO -0.62 0.49 0.00 0.41 0.56 0.00 0.00 179.97 180.81 2ysb n GLY 24 N -1.33 1.80 3.88 0.04 0.00 0.46 -5.13 105.19 104.91 2ysb n GLY 24 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 3.44 -0.28 1.61 0.52 -1.25 -4.83 118.95 118.17 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 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.25 2ysb s ARG 25 CO 0.00 0.77 0.37 0.21 0.02 0.00 0.00 175.30 176.67 2ysb s LYS 26 N -1.10 3.98 0.06 3.54 2.20 -1.26 -0.46 119.74 126.70 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 -3.67 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 2ysb s LYS 26 CO 0.05 -0.30 -0.19 1.52 -0.36 0.00 0.00 175.35 176.07 2ysb s TYR 27 N 2.06 1.67 -0.11 4.03 1.13 -0.70 -4.85 117.35 120.58 2ysb s TYR 27 Ca 0.14 -0.39 -0.05 0.00 -1.41 0.00 0.00 57.07 55.36 2ysb s TYR 27 Cb -0.16 -0.96 -0.04 0.00 -1.10 0.00 0.00 41.96 39.70 2ysb s TYR 27 CO 0.10 0.12 0.09 0.71 -2.51 0.00 0.00 175.55 174.06 2ysb s TYR 28 N -0.96 3.44 -0.10 -3.49 2.02 -0.78 -0.80 117.35 116.68 2ysb s TYR 28 Ca 0.06 0.40 0.00 0.00 -0.37 0.00 0.00 57.07 57.16 2ysb s TYR 28 Cb -0.09 -1.89 -0.03 0.00 -0.40 0.00 0.00 41.96 39.55 2ysb s TYR 28 CO 0.03 0.63 -0.09 0.42 -1.57 0.00 0.00 175.55 174.96 2ysb s ILE 29 N -0.93 3.48 -0.43 2.71 1.01 0.13 -1.46 121.20 125.71 2ysb s ILE 29 Ca 0.14 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 2ysb s ILE 29 Cb -0.12 -2.45 0.09 0.00 0.01 0.00 0.00 42.46 40.00 2ysb s ILE 29 CO 0.03 0.56 0.28 -0.62 0.00 0.00 0.00 174.94 175.19 2ysb s ASP 30 N -0.28 5.64 0.08 3.58 2.15 0.69 -1.06 116.67 127.47 2ysb s ASP 30 Ca 0.03 -1.65 0.24 0.00 0.43 0.00 0.00 52.55 51.60 2ysb s ASP 30 Cb -0.13 -1.99 0.96 0.00 -0.30 0.00 0.00 42.92 41.46 2ysb s ASP 30 CO 0.03 -0.59 1.75 1.41 -0.17 0.00 0.00 175.17 177.60 2ysb n HIS 31 N 4.90 0.31 0.05 -5.34 8.25 -0.08 0.21 115.22 123.52 2ysb n HIS 31 Ca -0.09 0.10 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 2ysb n HIS 31 Cb 0.42 -0.66 -0.13 0.00 1.12 0.00 0.00 29.99 30.74 2ysb n HIS 31 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 2ysb h ASN 32 N 0.00 0.11 0.00 0.41 2.35 -1.92 -3.37 115.58 113.17 2ysb h ASN 32 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 2ysb h ASN 32 Cb 0.47 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2ysb h ASN 32 CO 0.00 1.12 0.00 0.35 -1.65 0.00 0.00 177.43 177.25 2ysb n THR 33 N -3.32 0.00 -3.43 2.81 -2.24 -1.16 -5.03 114.28 101.91 2ysb n THR 33 Ca -0.07 -0.45 -0.17 0.00 -2.27 0.00 0.00 64.05 61.08 2ysb n THR 33 Cb 0.99 1.04 0.09 0.00 -2.10 0.00 0.00 70.33 70.35 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 -0.49 -2.25 -4.02 3.42 4.13 0.55 -5.02 115.26 111.58 2ysb n ASN 34 Ca 0.00 -0.63 -0.08 0.00 1.68 0.00 0.00 54.58 55.54 2ysb n ASN 34 Cb 0.01 -5.10 -0.11 0.00 -1.54 0.00 0.00 39.78 33.04 2ysb n ASN 34 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2ysb s THR 35 N -3.37 0.17 0.21 3.41 -4.23 -0.93 -4.95 115.64 105.96 2ysb s THR 35 Ca 0.02 -1.23 0.06 0.00 -1.18 0.00 0.00 61.69 59.36 2ysb s THR 35 Cb -0.00 -0.71 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 2ysb s THR 35 CO 0.73 -0.67 0.20 0.42 -0.54 0.00 0.00 174.62 174.76 2ysb s THR 36 N -2.31 4.59 -0.16 3.99 -4.23 -1.26 -0.23 115.64 116.03 2ysb s THR 36 Ca -0.08 -1.21 -0.07 0.00 -1.18 0.00 0.00 61.69 59.15 2ysb s THR 36 Cb -0.04 -3.43 0.07 0.00 1.34 0.00 0.00 72.50 70.44 2ysb s THR 36 CO -0.04 -0.25 0.36 -1.00 -0.54 0.00 0.00 174.62 173.15 2ysb s HIS 37 N -1.97 -0.58 0.33 3.99 3.76 -0.53 -4.98 115.29 115.30 2ysb s HIS 37 Ca 0.32 1.22 0.05 0.00 -0.15 0.00 0.00 55.06 56.51 2ysb s HIS 37 Cb -0.09 0.19 0.57 0.00 1.11 0.00 0.00 32.58 34.36 2ysb s HIS 37 CO 0.25 -0.36 1.81 -1.49 -0.85 0.00 0.00 174.74 174.10 2ysb h TRP 38 N 7.59 0.44 -2.17 1.40 -0.00 -1.89 -2.07 115.95 119.24 2ysb h TRP 38 Ca -0.29 -0.07 -0.48 0.00 -0.00 0.00 0.00 58.89 58.06 2ysb h TRP 38 Cb 1.15 -0.12 -0.03 0.00 -0.00 0.00 0.00 29.16 30.17 2ysb h TRP 38 CO 0.29 0.55 -0.47 -1.54 -0.00 0.00 0.00 178.44 177.28 2ysb s SER 39 N -6.81 5.97 0.38 -3.49 1.04 -1.26 -4.74 113.70 104.79 2ysb s SER 39 Ca -0.06 -0.08 -0.28 0.00 0.48 0.00 0.00 55.95 56.01 2ysb s SER 39 Cb 0.15 -1.64 -0.11 0.00 0.10 0.00 0.00 66.02 64.52 2ysb s SER 39 CO 0.77 -0.07 1.47 -2.28 0.98 0.00 0.00 173.24 174.10 2ysb s HIS 40 N -2.05 2.60 -0.90 5.02 2.46 -1.26 -4.82 115.29 116.33 2ysb s HIS 40 Ca 0.34 1.19 0.16 0.00 0.47 0.00 0.00 55.06 57.22 2ysb s HIS 40 Cb -0.08 -3.99 0.68 0.00 -0.13 0.00 0.00 32.58 29.05 2ysb s HIS 40 CO 0.27 -2.92 1.50 -0.35 -2.47 0.00 0.00 174.74 170.78 2ysb n PRO 41 N 0.40 0.04 -0.00 2.88 -0.04 -1.26 -2.06 135.00 134.95 2ysb n PRO 41 Ca 0.01 0.29 0.09 0.00 -0.04 0.00 0.00 63.50 63.85 2ysb n PRO 41 Cb 0.40 -1.57 -0.11 0.00 -0.04 0.00 0.00 33.50 32.17 2ysb n PRO 41 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2ysb n LEU 42 N -1.65 0.73 -4.44 1.53 4.77 -1.26 -4.80 117.00 111.88 2ysb n LEU 42 Ca 0.03 -0.43 -0.44 0.00 -0.03 0.00 0.00 56.01 55.14 2ysb n LEU 42 Cb 0.18 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2ysb n LEU 42 CO 0.14 0.18 0.90 -1.61 -1.33 0.00 0.00 177.39 175.67 2ysb s GLU 43 N -2.81 3.51 -0.02 3.23 2.02 -0.88 -4.97 118.70 118.78 2ysb s GLU 43 Ca 0.05 -1.65 -0.13 0.00 0.02 0.00 0.00 54.97 53.26 2ysb s GLU 43 Cb 0.14 -4.77 0.02 0.00 0.10 0.00 0.00 34.13 29.61 2ysb s GLU 43 CO 0.75 -1.75 0.28 0.45 0.02 0.00 0.00 175.26 175.02 2ysb s SER 44 N 3.58 -0.17 -0.74 -0.19 0.15 -1.26 -4.79 113.70 110.27 2ysb s SER 44 Ca 0.30 0.10 0.01 0.00 0.70 0.00 0.00 55.95 57.06 2ysb s SER 44 Cb -0.08 0.33 0.18 0.00 -1.71 0.00 0.00 66.02 64.75 2ysb s SER 44 CO -0.06 -0.39 0.57 -0.83 1.20 0.00 0.00 173.24 173.73 2ysb s GLY 45 N -1.15 2.86 0.10 9.45 0.00 -1.26 -4.89 107.32 112.44 2ysb s GLY 45 Ca -0.12 -3.68 0.18 0.00 0.00 0.00 0.00 44.72 41.10 2ysb s GLY 45 CO 0.03 1.12 1.55 -1.55 0.00 0.00 0.00 173.10 174.26 2ysb n PRO 46 N 2.50 0.08 -2.36 2.90 -0.04 -1.26 -4.77 135.00 132.04 2ysb n PRO 46 Ca 0.17 0.32 -0.30 0.00 -0.04 0.00 0.00 63.50 63.65 2ysb n PRO 46 Cb 0.36 -1.65 -0.01 0.00 -0.04 0.00 0.00 33.50 32.16 2ysb n PRO 46 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ysb s SER 47 N -3.48 6.37 0.17 3.54 0.01 -1.26 -5.09 113.70 113.95 2ysb s SER 47 Ca 0.06 1.26 -0.10 0.00 1.31 0.00 0.00 55.95 58.48 2ysb s SER 47 Cb 0.09 -2.39 -0.00 0.00 0.21 0.00 0.00 66.02 63.93 2ysb s SER 47 CO 0.31 -0.65 0.32 -0.44 0.41 0.00 0.00 173.24 173.20 2ysb s SER 48 N -3.75 -0.01 0.00 2.44 0.01 -1.26 -5.25 113.70 105.88 2ysb s SER 48 Ca 0.53 -0.81 0.00 0.00 1.31 0.00 0.00 55.95 56.98 2ysb s SER 48 Cb -0.10 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.59 2ysb s SER 48 CO 0.43 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.77