#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu8 s SER 2 N 0.00 -0.51 0.29 1.61 1.04 -1.26 -5.18 113.70 109.69 2yu8 s SER 2 Ca 0.00 0.19 -0.12 0.00 0.48 0.00 0.00 55.95 56.50 2yu8 s SER 2 Cb 0.00 1.38 0.01 0.00 0.10 0.00 0.00 66.02 67.50 2yu8 s SER 2 CO 0.00 -0.09 0.54 -0.44 0.98 0.00 0.00 173.24 174.23 2yu8 s SER 3 N 2.95 0.11 0.00 7.02 0.01 -1.26 -5.04 113.70 117.49 2yu8 s SER 3 Ca 0.11 -1.04 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2yu8 s SER 3 Cb -0.07 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.81 2yu8 s SER 3 CO -0.17 -1.27 0.00 0.61 0.41 0.00 0.00 173.24 172.83 2yu8 n GLY 4 N -0.45 0.92 2.94 3.44 0.00 -1.26 -5.10 105.19 105.69 2yu8 n GLY 4 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2yu8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu8 s SER 5 N -1.55 5.00 -0.14 1.61 0.01 -1.26 -5.04 113.70 112.33 2yu8 s SER 5 Ca 0.00 -3.75 -0.09 0.00 1.31 0.00 0.00 55.95 53.43 2yu8 s SER 5 Cb 0.00 -1.69 0.05 0.00 0.21 0.00 0.00 66.02 64.59 2yu8 s SER 5 CO 0.00 -0.12 0.35 -0.55 0.41 0.00 0.00 173.24 173.33 2yu8 s SER 6 N -1.09 -0.41 -0.50 2.44 0.15 -1.26 -4.96 113.70 108.06 2yu8 s SER 6 Ca 0.24 0.75 -0.03 0.00 0.70 0.00 0.00 55.95 57.62 2yu8 s SER 6 Cb -0.07 0.66 -0.03 0.00 -1.71 0.00 0.00 66.02 64.87 2yu8 s SER 6 CO -0.14 -0.17 0.44 0.61 1.20 0.00 0.00 173.24 175.18 2yu8 n GLY 7 N 3.92 -0.16 3.45 9.45 0.00 -1.26 -5.05 105.19 115.54 2yu8 n GLY 7 Ca -0.21 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 2yu8 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2yu8 s THR 8 N -3.18 2.91 -0.09 2.61 -1.32 -1.26 -5.12 115.64 110.20 2yu8 s THR 8 Ca 0.21 -0.81 0.04 0.00 -1.21 0.00 0.00 61.69 59.92 2yu8 s THR 8 Cb -0.03 -2.13 -0.00 0.00 -1.51 0.00 0.00 72.50 68.83 2yu8 s THR 8 CO 0.36 0.57 -0.23 -0.83 -2.21 0.00 0.00 174.62 172.28 2yu8 s GLY 9 N -0.78 1.26 -1.08 6.08 0.00 -1.26 -5.06 107.32 106.47 2yu8 s GLY 9 Ca 0.12 -0.92 -0.20 0.00 0.00 0.00 0.00 44.72 43.72 2yu8 s GLY 9 CO 0.01 -0.34 1.43 -0.54 0.00 0.00 0.00 173.10 173.65 2yu8 s GLU 10 N 0.27 3.74 0.34 2.90 2.02 -1.26 -4.99 118.70 121.71 2yu8 s GLU 10 Ca -0.15 -1.64 -0.26 0.00 0.02 0.00 0.00 54.97 52.94 2yu8 s GLU 10 Cb -0.17 -5.25 -0.10 0.00 0.10 0.00 0.00 34.13 28.71 2yu8 s GLU 10 CO 0.07 -2.06 0.95 0.15 0.02 0.00 0.00 175.26 174.40 2yu8 s LYS 11 N 3.85 4.53 0.50 1.61 3.01 -1.26 -4.96 119.74 127.02 2yu8 s LYS 11 Ca 0.44 1.33 0.29 0.00 -1.01 0.00 0.00 55.97 57.02 2yu8 s LYS 11 Cb -0.01 -2.73 1.21 0.00 -1.01 0.00 0.00 37.83 35.29 2yu8 s LYS 11 CO -0.05 0.22 1.94 -1.00 0.51 0.00 0.00 175.35 176.97 2yu8 h PRO 12 N 3.03 0.00 -5.55 -1.68 0.13 -1.92 -3.41 132.00 122.59 2yu8 h PRO 12 Ca -0.47 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.02 2yu8 h PRO 12 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 2yu8 h PRO 12 CO 0.64 0.12 0.21 0.71 -0.23 0.00 0.00 178.00 179.45 2yu8 s TYR 13 N -3.74 3.04 0.01 1.56 2.02 -1.25 -5.03 117.35 113.95 2yu8 s TYR 13 Ca 0.00 0.03 0.02 0.00 -0.37 0.00 0.00 57.07 56.75 2yu8 s TYR 13 Cb 0.10 -3.47 -0.01 0.00 -0.40 0.00 0.00 41.96 38.18 2yu8 s TYR 13 CO 0.59 -0.91 -0.06 0.21 -1.57 0.00 0.00 175.55 173.81 2yu8 s LYS 14 N 3.00 0.43 -0.15 -0.62 2.20 -1.26 -0.52 119.74 122.81 2yu8 s LYS 14 Ca 0.25 -0.36 -0.25 0.00 -0.36 0.00 0.00 55.97 55.25 2yu8 s LYS 14 Cb -0.13 -0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 35.83 2yu8 s LYS 14 CO 0.20 0.08 0.83 0.00 -0.36 0.00 0.00 175.35 176.11 2yu8 n ASN 16 N 5.05 2.99 -0.12 0.00 5.15 -1.26 -2.70 115.26 124.37 2yu8 n ASN 16 Ca 0.04 -2.30 -0.22 0.00 -0.60 0.00 0.00 54.58 51.50 2yu8 n ASN 16 Cb 0.49 -0.47 -0.07 0.00 -0.53 0.00 0.00 39.78 39.20 2yu8 n ASN 16 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2yu8 n GLU 17 N 0.47 0.54 -0.07 1.20 -0.58 -1.26 -4.87 120.64 116.07 2yu8 n GLU 17 Ca 0.14 0.23 -0.14 0.00 -0.42 0.00 0.00 57.16 56.98 2yu8 n GLU 17 Cb 0.59 -1.42 -0.06 0.00 -0.57 0.00 0.00 31.44 29.98 2yu8 n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yu8 n GLY 19 N 2.37 1.20 4.00 0.00 0.00 -1.10 -5.10 105.19 106.56 2yu8 n GLY 19 Ca -0.28 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 2yu8 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yu8 s LYS 20 N 0.00 2.45 0.04 1.61 1.02 -1.25 -4.87 119.74 118.74 2yu8 s LYS 20 Ca 0.00 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 54.83 2yu8 s LYS 20 Cb 0.00 -2.58 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 2yu8 s LYS 20 CO 0.00 -0.72 -0.04 0.08 -0.92 0.00 0.00 175.35 173.76 2yu8 s VAL 21 N -2.67 0.25 0.10 3.17 1.01 -1.26 -0.19 120.40 120.82 2yu8 s VAL 21 Ca 0.59 -1.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 2yu8 s VAL 21 Cb -0.08 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 2yu8 s VAL 21 CO 0.38 -0.71 0.17 -0.36 0.00 0.00 0.00 175.10 174.58 2yu8 s PHE 22 N -2.58 0.31 -0.11 5.22 0.40 0.32 -4.98 117.98 116.56 2yu8 s PHE 22 Ca -0.04 -0.73 -0.04 0.00 -0.60 0.00 0.00 56.93 55.52 2yu8 s PHE 22 Cb -0.02 -0.13 -0.26 0.00 0.51 0.00 0.00 43.02 43.12 2yu8 s PHE 22 CO -0.05 -0.56 0.42 -2.37 0.70 0.00 0.00 175.22 173.36 2yu8 n THR 23 N -0.08 1.76 -4.08 0.64 5.66 -1.26 -3.85 114.28 113.07 2yu8 n THR 23 Ca -0.12 -0.68 -0.32 0.00 -3.05 0.00 0.00 64.05 59.87 2yu8 n THR 23 Cb 0.62 -1.64 -0.07 0.00 -1.55 0.00 0.00 70.33 67.70 2yu8 n THR 23 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 2yu8 s GLN 24 N -2.57 3.06 0.22 1.09 -0.21 -1.26 -4.86 119.66 115.13 2yu8 s GLN 24 Ca -0.20 -0.51 -0.06 0.00 0.02 0.00 0.00 55.36 54.61 2yu8 s GLN 24 Cb 0.07 -2.85 0.19 0.00 1.00 0.00 0.00 33.01 31.41 2yu8 s GLN 24 CO 0.78 0.63 1.73 -0.97 -2.12 0.00 0.00 175.29 175.34 2yu8 h ASN 25 N 3.94 0.98 0.05 5.90 -0.73 -1.99 -3.11 115.58 120.63 2yu8 h ASN 25 Ca -0.49 -0.22 0.03 0.00 1.87 0.00 0.00 56.30 57.49 2yu8 h ASN 25 Cb 1.18 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 39.47 2yu8 h ASN 25 CO 0.63 0.98 -0.28 0.28 -0.37 0.00 0.00 177.43 178.67 2yu8 h SER 26 N 0.97 -0.83 -0.78 1.15 0.02 -1.98 0.18 113.55 112.29 2yu8 h SER 26 Ca 0.20 0.10 0.17 0.00 -0.84 0.00 0.00 61.79 61.42 2yu8 h SER 26 Cb 0.41 0.33 -0.11 0.00 0.14 0.00 0.00 62.40 63.16 2yu8 h SER 26 CO 0.01 -0.36 0.25 0.45 -1.14 0.00 0.00 176.83 176.04 2yu8 h HIS 27 N -0.46 0.41 -0.07 3.45 3.86 -1.97 0.24 115.15 120.61 2yu8 h HIS 27 Ca 0.05 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2yu8 h HIS 27 Cb 0.52 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.93 2yu8 h HIS 27 CO -0.29 -0.05 -0.01 1.25 0.86 0.00 0.00 177.93 179.70 2yu8 h LEU 28 N 0.34 0.13 -0.84 2.43 5.85 -1.32 0.27 115.31 122.17 2yu8 h LEU 28 Ca 0.45 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.89 2yu8 h LEU 28 Cb 0.77 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 2yu8 h LEU 28 CO -0.49 0.45 0.51 0.00 -0.34 0.00 0.00 178.44 178.56 2yu8 h ALA 29 N 0.69 1.16 -0.00 1.25 0.00 0.49 -1.97 119.26 120.88 2yu8 h ALA 29 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 2yu8 h ALA 29 Cb 0.39 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2yu8 h ALA 29 CO 0.01 0.22 -0.92 0.07 0.00 0.00 0.00 179.25 178.63 2yu8 h ARG 30 N 0.91 0.37 0.08 0.00 0.11 -0.50 -3.31 114.38 112.03 2yu8 h ARG 30 Ca 0.37 -0.39 0.02 0.00 0.10 0.00 0.00 59.98 60.08 2yu8 h ARG 30 Cb 0.21 0.11 -0.04 0.00 1.11 0.00 0.00 29.97 31.36 2yu8 h ARG 30 CO -0.19 1.07 -0.29 1.25 0.10 0.00 0.00 179.97 181.92 2yu8 h HIS 31 N 0.21 -0.77 -1.38 4.08 2.76 0.26 -1.43 115.15 118.88 2yu8 h HIS 31 Ca -0.07 0.02 0.42 0.00 -2.20 0.00 0.00 60.37 58.54 2yu8 h HIS 31 Cb 1.55 0.33 -0.08 0.00 1.55 0.00 0.00 27.41 30.77 2yu8 h HIS 31 CO 0.05 -0.39 0.97 0.54 -1.30 0.00 0.00 177.93 177.80 2yu8 n ARG 32 N -5.39 -0.01 -0.27 5.26 1.74 -0.87 0.51 116.66 117.63 2yu8 n ARG 32 Ca -0.06 0.88 0.04 0.00 -0.77 0.00 0.00 57.85 57.94 2yu8 n ARG 32 Cb 0.31 -1.92 0.14 0.00 -1.02 0.00 0.00 32.46 29.96 2yu8 n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2yu8 h ARG 33 N 0.00 0.05 -1.31 5.56 2.47 -1.38 0.50 114.38 120.26 2yu8 h ARG 33 Ca 0.71 -0.00 0.40 0.00 -1.26 0.00 0.00 59.98 59.83 2yu8 h ARG 33 Cb 2.69 -0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 30.89 2yu8 h ARG 33 CO -0.12 0.03 0.87 -0.39 0.56 0.00 0.00 179.97 180.92 2yu8 h VAL 34 N 0.05 0.23 0.00 2.04 -1.51 -0.14 -1.44 116.25 115.48 2yu8 h VAL 34 Ca 0.41 -0.05 -0.00 0.00 -1.23 0.00 0.00 66.70 65.83 2yu8 h VAL 34 Cb 0.69 0.09 -0.00 0.00 -2.13 0.00 0.00 31.29 29.94 2yu8 h VAL 34 CO -0.75 0.02 -0.02 0.45 -1.23 0.00 0.00 177.57 176.05 2yu8 h HIS 35 N 0.13 0.00 -4.03 5.19 3.86 -0.18 -3.48 115.15 116.64 2yu8 h HIS 35 Ca 0.75 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 59.57 2yu8 h HIS 35 Cb 2.43 0.00 -0.27 0.00 1.06 0.00 0.00 27.41 30.63 2yu8 h HIS 35 CO -0.00 0.10 -0.78 -0.08 0.86 0.00 0.00 177.93 178.03 2yu8 s THR 36 N -1.64 0.76 0.00 2.45 -1.32 -0.54 -4.90 115.64 110.44 2yu8 s THR 36 Ca -0.02 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.91 2yu8 s THR 36 Cb -0.00 -0.66 0.00 0.00 -1.51 0.00 0.00 72.50 70.33 2yu8 s THR 36 CO 0.08 0.11 0.00 0.61 -2.21 0.00 0.00 174.62 173.21 2yu8 n GLY 37 N 2.57 3.44 0.00 6.08 0.00 -1.25 -3.98 105.19 112.06 2yu8 n GLY 37 Ca -0.15 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2yu8 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yu8 n GLY 38 N 0.00 -2.64 3.44 -0.02 0.00 -1.26 -4.57 105.19 100.14 2yu8 n GLY 38 Ca 0.00 0.50 -0.43 0.00 0.00 0.00 0.00 46.02 46.09 2yu8 n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yu8 n LYS 39 N -0.67 0.49 -2.05 1.61 5.02 -1.26 -4.76 118.16 116.54 2yu8 n LYS 39 Ca 0.00 0.18 -0.29 0.00 -2.02 0.00 0.00 58.31 56.18 2yu8 n LYS 39 Cb 0.00 -1.39 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 2yu8 n LYS 39 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2yu8 s PRO 40 N -1.40 2.57 0.64 1.97 0.04 -1.26 -4.80 135.00 132.76 2yu8 s PRO 40 Ca 0.62 -0.12 0.19 0.00 0.04 0.00 0.00 61.00 61.73 2yu8 s PRO 40 Cb -0.67 -4.94 0.90 0.00 0.04 0.00 0.00 34.50 29.82 2yu8 s PRO 40 CO 0.59 -3.26 1.46 0.66 0.04 0.00 0.00 177.00 176.49 2yu8 h SER 41 N 11.97 0.00 0.00 6.66 4.64 -1.86 -3.45 113.55 131.52 2yu8 h SER 41 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2yu8 h SER 41 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2yu8 h SER 41 CO 1.21 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.78 2yu8 n GLY 42 N -1.49 3.00 3.55 -0.77 0.00 -1.26 -4.97 105.19 103.25 2yu8 n GLY 42 Ca 0.07 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 2yu8 n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yu8 s PRO 43 N -5.48 2.61 -0.80 1.61 0.04 -1.26 -4.91 135.00 126.81 2yu8 s PRO 43 Ca 0.00 0.36 0.02 0.00 0.04 0.00 0.00 61.00 61.42 2yu8 s PRO 43 Cb 0.00 -4.57 0.20 0.00 0.04 0.00 0.00 34.50 30.16 2yu8 s PRO 43 CO 0.00 -2.91 0.64 -1.12 0.04 0.00 0.00 177.00 173.66 2yu8 s SER 44 N 8.08 5.43 -0.40 6.66 0.01 -1.26 -5.05 113.70 127.18 2yu8 s SER 44 Ca 0.68 -3.80 -0.18 0.00 1.31 0.00 0.00 55.95 53.96 2yu8 s SER 44 Cb -0.11 -1.78 0.01 0.00 0.21 0.00 0.00 66.02 64.36 2yu8 s SER 44 CO 0.15 -0.13 0.52 -0.55 0.41 0.00 0.00 173.24 173.63 2yu8 s SER 45 N -0.79 6.27 0.00 2.44 0.15 -1.26 -5.29 113.70 115.22 2yu8 s SER 45 Ca 0.26 -0.33 0.17 0.00 0.70 0.00 0.00 55.95 56.75 2yu8 s SER 45 Cb -0.06 -2.26 0.13 0.00 -1.71 0.00 0.00 66.02 62.12 2yu8 s SER 45 CO -0.15 -0.59 1.03 0.61 1.20 0.00 0.00 173.24 175.35