#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 6.26 0.08 1.61 0.15 -1.26 -5.11 113.70 115.43 2yu8 s SER 2 Ca 0.00 0.23 0.05 0.00 0.70 0.00 0.00 55.95 56.94 2yu8 s SER 2 Cb 0.00 -1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 62.39 2yu8 s SER 2 CO 0.00 -0.22 -0.06 -0.55 1.20 0.00 0.00 173.24 173.61 2yu8 s SER 3 N -4.03 4.66 -0.38 5.45 0.15 -1.26 -5.02 113.70 113.28 2yu8 s SER 3 Ca 0.38 -0.26 -0.34 0.00 0.70 0.00 0.00 55.95 56.44 2yu8 s SER 3 Cb -0.09 -1.02 -0.14 0.00 -1.71 0.00 0.00 66.02 63.06 2yu8 s SER 3 CO 0.33 0.20 1.55 0.61 1.20 0.00 0.00 173.24 177.12 2yu8 n GLY 4 N 0.86 -0.07 0.08 9.45 0.00 -1.26 -4.83 105.19 109.43 2yu8 n GLY 4 Ca -0.13 0.83 -0.08 0.00 0.00 0.00 0.00 46.02 46.64 2yu8 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yu8 n SER 5 N 5.21 1.87 -3.64 1.61 2.88 -1.26 -5.07 113.62 115.21 2yu8 n SER 5 Ca 0.38 0.49 -0.04 0.00 -1.33 0.00 0.00 58.87 58.37 2yu8 n SER 5 Cb -0.03 -0.82 -0.07 0.00 -0.75 0.00 0.00 64.21 62.54 2yu8 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yu8 s SER 6 N -5.95 -0.23 0.00 -3.46 0.15 -1.26 -5.10 113.70 97.85 2yu8 s SER 6 Ca -0.22 0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2yu8 s SER 6 Cb 0.04 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 2yu8 s SER 6 CO 0.33 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.31 2yu8 n GLY 7 N 2.14 0.51 2.83 9.45 0.00 -1.26 -4.38 105.19 114.48 2yu8 n GLY 7 Ca -0.12 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 2yu8 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yu8 s THR 8 N 0.00 1.94 -3.41 2.61 2.01 -1.26 -4.86 115.64 112.67 2yu8 s THR 8 Ca 0.00 -2.85 0.00 0.00 0.31 0.00 0.00 61.69 59.15 2yu8 s THR 8 Cb 0.00 -2.36 0.00 0.00 0.01 0.00 0.00 72.50 70.15 2yu8 s THR 8 CO 0.00 -0.84 0.00 0.61 -0.69 0.00 0.00 174.62 173.70 2yu8 n GLY 9 N 3.42 -0.55 2.81 4.40 0.00 -1.26 -5.07 105.19 108.93 2yu8 n GLY 9 Ca 0.06 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 2yu8 n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yu8 s GLU 10 N -1.36 1.87 -0.00 1.61 2.02 -1.26 -5.09 118.70 116.49 2yu8 s GLU 10 Ca 0.00 -2.70 0.07 0.00 0.02 0.00 0.00 54.97 52.36 2yu8 s GLU 10 Cb 0.00 -2.89 -0.02 0.00 0.10 0.00 0.00 34.13 31.32 2yu8 s GLU 10 CO 0.00 -1.23 -0.22 0.15 0.02 0.00 0.00 175.26 173.99 2yu8 s LYS 11 N -0.56 1.72 0.27 1.61 1.02 -1.26 -5.02 119.74 117.52 2yu8 s LYS 11 Ca 0.22 -0.83 0.24 0.00 0.02 0.00 0.00 55.97 55.62 2yu8 s LYS 11 Cb -0.14 -1.70 1.00 0.00 -0.52 0.00 0.00 37.83 36.48 2yu8 s LYS 11 CO -0.09 0.46 1.72 -0.35 -0.92 0.00 0.00 175.35 176.17 2yu8 n PRO 12 N 2.39 0.20 -3.19 -1.68 -0.04 -1.26 -4.52 135.00 126.90 2yu8 n PRO 12 Ca -0.16 0.43 -0.44 0.00 -0.04 0.00 0.00 63.50 63.30 2yu8 n PRO 12 Cb 0.53 -1.89 -0.07 0.00 -0.04 0.00 0.00 33.50 32.03 2yu8 n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2yu8 s TYR 13 N -3.33 3.08 -0.00 0.54 2.02 -1.26 -5.03 117.35 113.37 2yu8 s TYR 13 Ca 0.04 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 2yu8 s TYR 13 Cb 0.09 -3.39 0.00 0.00 -0.40 0.00 0.00 41.96 38.26 2yu8 s TYR 13 CO 0.39 -0.95 -0.01 0.21 -1.57 0.00 0.00 175.55 173.63 2yu8 s LYS 14 N 2.50 0.05 -0.10 -0.62 2.20 -1.26 -0.73 119.74 121.78 2yu8 s LYS 14 Ca 0.15 -0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 55.44 2yu8 s LYS 14 Cb -0.19 -0.05 -0.01 0.00 -1.51 0.00 0.00 37.83 36.07 2yu8 s LYS 14 CO 0.13 0.01 1.02 0.00 -0.36 0.00 0.00 175.35 176.14 2yu8 n ASN 16 N 4.97 3.23 -0.13 0.00 3.02 -1.26 -2.73 115.26 122.36 2yu8 n ASN 16 Ca 0.09 -2.33 -0.27 0.00 -0.03 0.00 0.00 54.58 52.03 2yu8 n ASN 16 Cb 0.49 -0.48 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 2yu8 n ASN 16 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2yu8 n GLU 17 N 0.54 0.54 -0.05 3.52 -0.58 -1.26 -4.87 120.64 118.47 2yu8 n GLU 17 Ca 0.16 0.24 -0.11 0.00 -0.42 0.00 0.00 57.16 57.03 2yu8 n GLU 17 Cb 0.64 -1.40 -0.04 0.00 -0.57 0.00 0.00 31.44 30.07 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 2.47 0.67 3.90 0.00 0.00 -1.11 -5.10 105.19 106.02 2yu8 n GLY 19 Ca -0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 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 2.58 0.04 1.61 1.02 -1.24 -4.85 119.74 118.90 2yu8 s LYS 20 Ca 0.00 -1.49 0.00 0.00 0.02 0.00 0.00 55.97 54.51 2yu8 s LYS 20 Cb 0.00 -2.45 -0.03 0.00 -0.52 0.00 0.00 37.83 34.83 2yu8 s LYS 20 CO 0.00 -0.22 -0.04 0.08 -0.92 0.00 0.00 175.35 174.25 2yu8 s VAL 21 N -2.45 0.26 0.02 3.17 1.01 -1.26 0.10 120.40 121.24 2yu8 s VAL 21 Ca 0.49 -1.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 2yu8 s VAL 21 Cb -0.04 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 2yu8 s VAL 21 CO 0.29 -0.62 0.04 -0.36 0.00 0.00 0.00 175.10 174.45 2yu8 s PHE 22 N -2.15 0.21 -0.31 5.22 0.40 0.09 -4.63 117.98 116.80 2yu8 s PHE 22 Ca -0.08 -0.45 0.21 0.00 -0.60 0.00 0.00 56.93 56.01 2yu8 s PHE 22 Cb -0.05 -0.16 0.17 0.00 0.51 0.00 0.00 43.02 43.50 2yu8 s PHE 22 CO -0.03 -0.27 1.39 0.00 0.70 0.00 0.00 175.22 177.01 2yu8 h THR 23 N 4.23 0.22 -4.34 0.64 1.03 -1.98 -3.36 112.91 109.37 2yu8 h THR 23 Ca -0.32 -1.34 -0.63 0.00 -0.01 0.00 0.00 66.41 64.12 2yu8 h THR 23 Cb 1.20 1.99 -0.30 0.00 -1.07 0.00 0.00 68.15 69.96 2yu8 h THR 23 CO 0.45 0.13 -0.86 -1.10 -0.01 0.00 0.00 175.52 174.12 2yu8 s GLN 24 N -3.17 1.87 0.08 0.00 -1.52 -1.26 -4.97 119.66 110.69 2yu8 s GLN 24 Ca 0.04 -0.77 -0.35 0.00 -1.95 0.00 0.00 55.36 52.33 2yu8 s GLN 24 Cb 0.07 -1.75 -0.18 0.00 -0.22 0.00 0.00 33.01 30.93 2yu8 s GLN 24 CO 0.72 0.43 1.59 -0.97 -0.25 0.00 0.00 175.29 176.82 2yu8 h ASN 25 N 5.74 -1.05 -0.58 5.90 -0.73 -1.98 -3.06 115.58 119.81 2yu8 h ASN 25 Ca -0.38 0.06 0.05 0.00 1.87 0.00 0.00 56.30 57.90 2yu8 h ASN 25 Cb 1.14 0.31 -0.07 0.00 0.27 0.00 0.00 38.32 39.98 2yu8 h ASN 25 CO 0.48 -0.64 -0.34 -0.24 -0.37 0.00 0.00 177.43 176.31 2yu8 n SER 26 N -5.55 -0.62 -0.31 1.15 2.88 -1.26 0.19 113.62 110.11 2yu8 n SER 26 Ca -0.13 1.28 -0.01 0.00 -1.33 0.00 0.00 58.87 58.68 2yu8 n SER 26 Cb 0.44 -0.25 0.05 0.00 -0.75 0.00 0.00 64.21 63.70 2yu8 n SER 26 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2yu8 h HIS 27 N 0.00 -0.85 -0.07 0.66 3.86 -1.99 0.70 115.15 117.47 2yu8 h HIS 27 Ca 0.09 0.09 0.04 0.00 -1.16 0.00 0.00 60.37 59.43 2yu8 h HIS 27 Cb 0.24 0.50 -0.05 0.00 1.06 0.00 0.00 27.41 29.16 2yu8 h HIS 27 CO -0.82 -0.39 -0.20 1.25 0.86 0.00 0.00 177.93 178.62 2yu8 h LEU 28 N -0.05 -0.61 -0.88 2.43 5.85 -0.15 -0.85 115.31 121.06 2yu8 h LEU 28 Ca 0.34 0.10 0.23 0.00 0.84 0.00 0.00 57.88 59.38 2yu8 h LEU 28 Cb 0.60 0.26 -0.13 0.00 0.37 0.00 0.00 40.66 41.76 2yu8 h LEU 28 CO -0.87 -0.26 0.31 0.00 -0.34 0.00 0.00 178.44 177.27 2yu8 h ALA 29 N 0.66 1.34 0.40 1.25 0.00 0.54 -1.49 119.26 121.96 2yu8 h ALA 29 Ca 0.08 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2yu8 h ALA 29 Cb 0.40 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2yu8 h ALA 29 CO -0.23 -0.42 -0.19 0.00 0.00 0.00 0.00 179.25 178.41 2yu8 h ARG 30 N 0.29 -0.52 -0.95 0.00 -0.00 -0.53 -3.22 114.38 109.45 2yu8 h ARG 30 Ca 0.55 0.04 0.20 0.00 -0.50 0.00 0.00 59.98 60.26 2yu8 h ARG 30 Cb 1.09 0.12 -0.18 0.00 0.00 0.00 0.00 29.97 31.00 2yu8 h ARG 30 CO -0.59 -0.21 -0.21 1.25 0.00 0.00 0.00 179.97 180.21 2yu8 h HIS 31 N -0.90 -0.45 -1.02 3.04 -0.00 -0.21 0.60 115.15 116.20 2yu8 h HIS 31 Ca -0.05 0.08 0.42 0.00 -0.00 0.00 0.00 60.37 60.82 2yu8 h HIS 31 Cb 0.55 0.35 -0.17 0.00 -0.00 0.00 0.00 27.41 28.14 2yu8 h HIS 31 CO 0.02 -0.41 0.56 0.54 -0.00 0.00 0.00 177.93 178.65 2yu8 n ARG 32 N -5.59 -0.06 -0.30 5.26 1.74 -0.72 0.71 116.66 117.71 2yu8 n ARG 32 Ca 0.16 1.35 0.13 0.00 -0.77 0.00 0.00 57.85 58.71 2yu8 n ARG 32 Cb 0.50 -2.44 0.29 0.00 -1.02 0.00 0.00 32.46 29.79 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 0.18 -1.40 5.56 2.47 0.08 0.42 114.38 121.70 2yu8 h ARG 33 Ca 0.84 -0.01 0.43 0.00 -1.26 0.00 0.00 59.98 59.98 2yu8 h ARG 33 Cb 2.27 -0.04 -0.11 0.00 -1.65 0.00 0.00 29.97 30.44 2yu8 h ARG 33 CO -0.73 0.12 0.94 -0.39 0.56 0.00 0.00 179.97 180.47 2yu8 h VAL 34 N 0.19 0.17 -1.34 2.04 -1.51 0.14 -2.23 116.25 113.71 2yu8 h VAL 34 Ca 0.56 -0.03 -0.75 0.00 -1.23 0.00 0.00 66.70 65.24 2yu8 h VAL 34 Cb 1.13 0.07 -0.15 0.00 -2.13 0.00 0.00 31.29 30.22 2yu8 h VAL 34 CO -0.67 0.02 2.12 1.41 -1.23 0.00 0.00 177.57 179.22 2yu8 n HIS 35 N -4.49 2.80 -3.72 5.19 8.25 0.15 -4.87 115.22 118.53 2yu8 n HIS 35 Ca 0.36 -2.79 -0.27 0.00 -0.26 0.00 0.00 57.72 54.76 2yu8 n HIS 35 Cb 1.46 -1.90 -0.17 0.00 1.12 0.00 0.00 29.99 30.51 2yu8 n HIS 35 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2yu8 s THR 36 N -0.11 0.42 0.00 1.59 -4.23 -0.84 -4.93 115.64 107.53 2yu8 s THR 36 Ca 0.44 -0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.46 2yu8 s THR 36 Cb 0.12 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 73.01 2yu8 s THR 36 CO -0.02 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 2yu8 n GLY 37 N 5.09 0.34 0.00 3.99 0.00 -1.26 -5.09 105.19 108.26 2yu8 n GLY 37 Ca -0.09 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.31 3.71 3.69 -0.02 0.00 -1.26 -5.08 105.19 105.93 2yu8 n GLY 38 Ca 0.00 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 2yu8 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yu8 s LYS 39 N -5.05 4.19 0.95 1.61 3.01 -1.26 -5.00 119.74 118.19 2yu8 s LYS 39 Ca 0.00 0.06 -0.12 0.00 -1.01 0.00 0.00 55.97 54.90 2yu8 s LYS 39 Cb 0.00 -3.49 0.16 0.00 -1.01 0.00 0.00 37.83 33.49 2yu8 s LYS 39 CO 0.00 0.09 1.09 -1.25 0.51 0.00 0.00 175.35 175.79 2yu8 s PRO 40 N 0.92 0.80 -0.46 -1.68 0.04 -1.26 -4.97 135.00 128.40 2yu8 s PRO 40 Ca 0.16 0.65 -0.27 0.00 0.04 0.00 0.00 61.00 61.58 2yu8 s PRO 40 Cb -0.14 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.66 2yu8 s PRO 40 CO 0.05 -2.51 1.02 -1.12 0.04 0.00 0.00 177.00 174.48 2yu8 s SER 41 N -3.44 6.58 0.00 6.66 0.01 -1.26 -4.28 113.70 117.97 2yu8 s SER 41 Ca 0.64 0.33 0.00 0.00 1.31 0.00 0.00 55.95 58.24 2yu8 s SER 41 Cb -0.18 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2yu8 s SER 41 CO 0.57 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.71 2yu8 n GLY 42 N 4.82 -0.13 3.61 3.44 0.00 -1.26 -5.13 105.19 110.54 2yu8 n GLY 42 Ca 0.09 0.24 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -0.92 -0.35 1.61 0.04 -1.26 -4.84 135.00 129.29 2yu8 s PRO 43 Ca 0.00 0.05 -0.40 0.00 0.04 0.00 0.00 61.00 60.69 2yu8 s PRO 43 Cb 0.00 -1.62 -0.17 0.00 0.04 0.00 0.00 34.50 32.74 2yu8 s PRO 43 CO 0.00 -3.53 1.30 -1.13 0.04 0.00 0.00 177.00 173.68 2yu8 n SER 44 N -4.65 0.83 -4.89 6.66 3.41 -1.26 -4.90 113.62 108.83 2yu8 n SER 44 Ca 0.11 1.03 -0.30 0.00 -0.26 0.00 0.00 58.87 59.45 2yu8 n SER 44 Cb 0.59 -0.77 -0.04 0.00 -0.26 0.00 0.00 64.21 63.73 2yu8 n SER 44 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yu8 s SER 45 N 2.07 6.55 0.00 4.04 0.01 -1.26 -5.05 113.70 120.06 2yu8 s SER 45 Ca 0.89 0.88 0.00 0.00 1.31 0.00 0.00 55.95 59.03 2yu8 s SER 45 Cb -1.26 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 62.76 2yu8 s SER 45 CO 0.67 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.76