#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 5.24 -0.16 1.61 1.04 -1.26 -5.14 113.70 115.04 2yu8 s SER 2 Ca 0.00 -0.56 -0.30 0.00 0.48 0.00 0.00 55.95 55.57 2yu8 s SER 2 Cb 0.00 -0.84 0.12 0.00 0.10 0.00 0.00 66.02 65.40 2yu8 s SER 2 CO 0.00 -0.47 0.95 -0.94 0.98 0.00 0.00 173.24 173.76 2yu8 s SER 3 N -4.06 -0.43 -0.36 7.02 1.04 -1.26 -5.08 113.70 110.58 2yu8 s SER 3 Ca 0.44 0.52 0.09 0.00 0.48 0.00 0.00 55.95 57.48 2yu8 s SER 3 Cb -0.05 0.43 0.35 0.00 0.10 0.00 0.00 66.02 66.84 2yu8 s SER 3 CO 0.27 -0.36 1.36 0.61 0.98 0.00 0.00 173.24 176.10 2yu8 n GLY 4 N 0.96 1.29 3.55 7.32 0.00 -1.26 -5.11 105.19 111.94 2yu8 n GLY 4 Ca -0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 2yu8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yu8 s SER 5 N -1.04 -0.89 0.05 1.61 0.15 -1.26 -5.15 113.70 107.16 2yu8 s SER 5 Ca 0.15 1.41 -0.20 0.00 0.70 0.00 0.00 55.95 58.02 2yu8 s SER 5 Cb 0.37 1.88 -0.06 0.00 -1.71 0.00 0.00 66.02 66.50 2yu8 s SER 5 CO -0.09 -0.22 0.57 -0.94 1.20 0.00 0.00 173.24 173.75 2yu8 s SER 6 N 2.56 7.04 -0.93 5.45 1.04 -1.26 -5.01 113.70 122.58 2yu8 s SER 6 Ca -0.06 1.23 -0.23 0.00 0.48 0.00 0.00 55.95 57.37 2yu8 s SER 6 Cb -0.11 -2.36 0.07 0.00 0.10 0.00 0.00 66.02 63.72 2yu8 s SER 6 CO -0.18 0.23 1.32 -0.83 0.98 0.00 0.00 173.24 174.77 2yu8 s GLY 7 N -0.87 1.35 -0.03 7.32 0.00 -1.26 -4.69 107.32 109.14 2yu8 s GLY 7 Ca 0.29 -2.20 0.12 0.00 0.00 0.00 0.00 44.72 42.93 2yu8 s GLY 7 CO 0.18 2.50 0.23 -0.37 0.00 0.00 0.00 173.10 175.64 2yu8 n THR 8 N 6.45 0.11 -2.60 0.90 5.66 -1.26 -4.95 114.28 118.60 2yu8 n THR 8 Ca 0.24 -0.30 -0.43 0.00 -3.05 0.00 0.00 64.05 60.51 2yu8 n THR 8 Cb 0.50 0.09 -0.02 0.00 -1.55 0.00 0.00 70.33 69.35 2yu8 n THR 8 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2yu8 s GLY 9 N -3.52 1.55 -0.27 1.09 0.00 -1.26 -5.00 107.32 99.90 2yu8 s GLY 9 Ca -0.05 0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.71 2yu8 s GLY 9 CO 0.49 2.32 -0.07 -1.83 0.00 0.00 0.00 173.10 174.01 2yu8 s GLU 10 N 3.68 1.98 0.02 2.90 -1.05 -1.26 -5.03 118.70 119.95 2yu8 s GLU 10 Ca 0.47 -1.38 -0.23 0.00 -0.15 0.00 0.00 54.97 53.68 2yu8 s GLU 10 Cb -0.13 -2.89 0.05 0.00 -0.44 0.00 0.00 34.13 30.72 2yu8 s GLU 10 CO 0.16 -0.65 0.53 0.15 0.95 0.00 0.00 175.26 176.39 2yu8 s LYS 11 N 1.12 0.99 0.45 -4.83 -0.14 -1.26 -5.04 119.74 111.03 2yu8 s LYS 11 Ca -0.05 -0.13 0.24 0.00 -1.36 0.00 0.00 55.97 54.67 2yu8 s LYS 11 Cb -0.20 0.46 1.01 0.00 -1.68 0.00 0.00 37.83 37.42 2yu8 s LYS 11 CO -0.06 -0.34 1.87 -1.00 -0.76 0.00 0.00 175.35 175.06 2yu8 h PRO 12 N 2.96 0.00 -5.80 -1.68 0.13 -1.95 -3.41 132.00 122.26 2yu8 h PRO 12 Ca -0.30 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.23 2yu8 h PRO 12 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 2yu8 h PRO 12 CO 0.41 0.23 0.66 0.71 -0.23 0.00 0.00 178.00 179.78 2yu8 s TYR 13 N -3.80 2.64 0.04 1.56 1.51 -1.26 -5.00 117.35 113.05 2yu8 s TYR 13 Ca -0.01 -0.23 0.03 0.00 -1.01 0.00 0.00 57.07 55.86 2yu8 s TYR 13 Cb 0.11 -4.28 -0.02 0.00 -0.11 0.00 0.00 41.96 37.66 2yu8 s TYR 13 CO 0.63 -1.62 -0.10 0.21 -1.11 0.00 0.00 175.55 173.57 2yu8 s LYS 14 N 4.36 0.63 -0.20 -0.62 2.47 -1.26 -0.25 119.74 124.87 2yu8 s LYS 14 Ca 0.28 -0.74 -0.18 0.00 -1.56 0.00 0.00 55.97 53.77 2yu8 s LYS 14 Cb -0.13 -0.51 -0.03 0.00 -1.46 0.00 0.00 37.83 35.70 2yu8 s LYS 14 CO 0.15 0.11 0.51 0.00 0.16 0.00 0.00 175.35 176.28 2yu8 n ASN 16 N 4.81 2.80 -0.11 0.00 4.13 -1.26 -2.62 115.26 123.00 2yu8 n ASN 16 Ca -0.05 -2.33 -0.22 0.00 1.68 0.00 0.00 54.58 53.66 2yu8 n ASN 16 Cb 0.50 -0.52 -0.08 0.00 -1.54 0.00 0.00 39.78 38.14 2yu8 n ASN 16 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2yu8 n GLU 17 N 0.29 0.46 -0.01 3.52 -0.58 -1.26 -4.90 120.64 118.16 2yu8 n GLU 17 Ca 0.12 0.19 -0.03 0.00 -0.42 0.00 0.00 57.16 57.02 2yu8 n GLU 17 Cb 0.59 -1.29 -0.01 0.00 -0.57 0.00 0.00 31.44 30.16 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 2.87 0.85 3.85 0.00 0.00 -1.08 -5.08 105.19 106.60 2yu8 n GLY 19 Ca -0.05 0.00 -0.36 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 3.36 0.16 1.61 1.02 -1.25 -4.86 119.74 119.78 2yu8 s LYS 20 Ca 0.00 -0.21 0.06 0.00 0.02 0.00 0.00 55.97 55.84 2yu8 s LYS 20 Cb 0.00 -3.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 2yu8 s LYS 20 CO 0.00 0.75 0.03 0.08 -0.92 0.00 0.00 175.35 175.29 2yu8 s VAL 21 N -1.07 3.93 0.11 3.17 1.01 -1.26 0.22 120.40 126.52 2yu8 s VAL 21 Ca 0.17 -1.29 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 2yu8 s VAL 21 Cb -0.12 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2yu8 s VAL 21 CO 0.07 -0.08 0.04 -0.36 0.00 0.00 0.00 175.10 174.76 2yu8 s PHE 22 N -1.68 0.77 -0.06 5.22 0.40 0.65 -4.98 117.98 118.30 2yu8 s PHE 22 Ca 0.28 -1.19 0.05 0.00 -0.60 0.00 0.00 56.93 55.47 2yu8 s PHE 22 Cb -0.10 -0.45 -0.24 0.00 0.51 0.00 0.00 43.02 42.74 2yu8 s PHE 22 CO 0.20 -0.49 0.59 0.00 0.70 0.00 0.00 175.22 176.22 2yu8 h THR 23 N 2.93 0.81 -4.04 0.64 1.03 -1.99 -3.36 112.91 108.93 2yu8 h THR 23 Ca -0.35 -2.60 -0.64 0.00 -0.01 0.00 0.00 66.41 62.81 2yu8 h THR 23 Cb 1.18 2.48 -0.24 0.00 -1.07 0.00 0.00 68.15 70.51 2yu8 h THR 23 CO 0.61 0.66 -0.86 -1.10 -0.01 0.00 0.00 175.52 174.81 2yu8 s GLN 24 N -2.59 1.42 0.21 0.00 -0.21 -1.26 -4.91 119.66 112.32 2yu8 s GLN 24 Ca -0.11 -1.19 -0.10 0.00 0.02 0.00 0.00 55.36 53.99 2yu8 s GLN 24 Cb 0.07 -1.73 0.20 0.00 1.00 0.00 0.00 33.01 32.55 2yu8 s GLN 24 CO 0.81 0.42 1.84 -0.97 -2.12 0.00 0.00 175.29 175.27 2yu8 h ASN 25 N 4.28 0.69 -0.34 5.90 -1.24 -1.98 -2.94 115.58 119.95 2yu8 h ASN 25 Ca -0.48 0.00 0.05 0.00 0.71 0.00 0.00 56.30 56.58 2yu8 h ASN 25 Cb 1.16 -0.14 -0.08 0.00 0.73 0.00 0.00 38.32 39.99 2yu8 h ASN 25 CO 0.41 0.47 -0.55 -1.28 -1.29 0.00 0.00 177.43 175.19 2yu8 h SER 26 N 0.82 -1.81 -0.97 1.15 0.87 -1.99 0.46 113.55 112.09 2yu8 h SER 26 Ca 0.28 0.23 0.24 0.00 -1.23 0.00 0.00 61.79 61.32 2yu8 h SER 26 Cb 0.05 0.74 -0.07 0.00 -0.44 0.00 0.00 62.40 62.67 2yu8 h SER 26 CO -0.12 -0.42 0.65 0.45 -0.53 0.00 0.00 176.83 176.85 2yu8 h HIS 27 N -0.44 0.47 -0.10 2.24 3.86 -1.95 0.13 115.15 119.35 2yu8 h HIS 27 Ca 0.07 0.02 -0.23 0.00 -1.16 0.00 0.00 60.37 59.07 2yu8 h HIS 27 Cb 0.62 -0.14 0.01 0.00 1.06 0.00 0.00 27.41 28.96 2yu8 h HIS 27 CO -0.69 0.09 -0.82 1.25 0.86 0.00 0.00 177.93 178.62 2yu8 h LEU 28 N 0.32 0.89 -0.21 2.43 5.85 -0.41 -2.11 115.31 122.08 2yu8 h LEU 28 Ca 0.51 -0.67 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 2yu8 h LEU 28 Cb 1.43 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 2yu8 h LEU 28 CO -0.18 1.42 0.11 0.00 -0.34 0.00 0.00 178.44 179.46 2yu8 h ALA 29 N 0.49 0.26 0.00 1.25 0.00 0.23 -1.12 119.26 120.38 2yu8 h ALA 29 Ca -0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 2yu8 h ALA 29 Cb 1.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2yu8 h ALA 29 CO 0.17 -0.20 -0.35 0.07 0.00 0.00 0.00 179.25 178.93 2yu8 h ARG 30 N 0.23 0.00 0.27 0.00 0.11 -1.23 -3.21 114.38 110.55 2yu8 h ARG 30 Ca 0.07 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.14 2yu8 h ARG 30 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 2yu8 h ARG 30 CO -0.01 0.35 -0.13 1.25 0.10 0.00 0.00 179.97 181.53 2yu8 h HIS 31 N 0.00 -0.34 -1.74 4.08 2.76 -0.93 -3.06 115.15 115.92 2yu8 h HIS 31 Ca -0.00 -0.01 0.50 0.00 -2.20 0.00 0.00 60.37 58.66 2yu8 h HIS 31 Cb 0.72 0.11 -0.07 0.00 1.55 0.00 0.00 27.41 29.73 2yu8 h HIS 31 CO 0.00 0.02 1.38 0.00 -1.30 0.00 0.00 177.93 178.03 2yu8 h ARG 32 N -0.83 0.00 -0.81 5.26 3.08 -1.21 0.39 114.38 120.26 2yu8 h ARG 32 Ca -0.04 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.21 2yu8 h ARG 32 Cb 0.51 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.44 2yu8 h ARG 32 CO 0.06 0.00 0.23 0.00 -1.07 0.00 0.00 179.97 179.19 2yu8 h ARG 33 N 0.00 0.27 -1.42 0.04 2.47 -1.63 0.22 114.38 114.33 2yu8 h ARG 33 Ca 0.83 -0.02 0.44 0.00 -1.26 0.00 0.00 59.98 59.97 2yu8 h ARG 33 Cb 3.58 -0.06 -0.10 0.00 -1.65 0.00 0.00 29.97 31.73 2yu8 h ARG 33 CO -0.01 0.18 0.96 -0.39 0.56 0.00 0.00 179.97 181.27 2yu8 h VAL 34 N 0.27 0.17 -1.24 2.04 -1.51 -0.41 -1.49 116.25 114.07 2yu8 h VAL 34 Ca 0.48 -0.03 -0.75 0.00 -1.23 0.00 0.00 66.70 65.18 2yu8 h VAL 34 Cb 0.89 0.08 -0.13 0.00 -2.13 0.00 0.00 31.29 30.00 2yu8 h VAL 34 CO -0.56 0.01 2.30 1.41 -1.23 0.00 0.00 177.57 179.50 2yu8 n HIS 35 N -4.45 2.65 -3.68 5.19 8.25 0.79 -4.73 115.22 119.23 2yu8 n HIS 35 Ca 0.36 -2.81 -0.11 0.00 -0.26 0.00 0.00 57.72 54.90 2yu8 n HIS 35 Cb 1.49 -1.83 -0.12 0.00 1.12 0.00 0.00 29.99 30.66 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 -1.03 -0.34 -0.97 1.59 -4.23 -0.56 -4.94 115.64 105.15 2yu8 s THR 36 Ca 0.51 0.19 -0.15 0.00 -1.18 0.00 0.00 61.69 61.06 2yu8 s THR 36 Cb 0.17 -0.53 0.02 0.00 1.34 0.00 0.00 72.50 73.50 2yu8 s THR 36 CO -0.08 0.08 0.28 0.61 -0.54 0.00 0.00 174.62 174.97 2yu8 n GLY 37 N 4.95 -0.37 2.24 3.99 0.00 -1.26 -4.83 105.19 109.90 2yu8 n GLY 37 Ca -0.14 0.19 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.93 6.22 3.88 -0.02 0.00 -1.26 -4.96 105.19 107.12 2yu8 n GLY 38 Ca -0.15 -2.71 -0.27 0.00 0.00 0.00 0.00 46.02 42.89 2yu8 n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yu8 n LYS 39 N -0.61 -0.74 -0.11 1.61 4.81 -1.26 -4.81 118.16 117.05 2yu8 n LYS 39 Ca 0.42 -0.01 -0.13 0.00 -0.87 0.00 0.00 58.31 57.72 2yu8 n LYS 39 Cb 0.82 -2.14 -0.03 0.00 0.02 0.00 0.00 35.03 33.70 2yu8 n LYS 39 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 2yu8 h PRO 40 N -1.03 0.82 -7.08 1.64 0.13 -1.97 -3.47 132.00 121.04 2yu8 h PRO 40 Ca -0.49 -0.43 -0.61 0.00 -0.87 0.00 0.00 66.00 63.60 2yu8 h PRO 40 Cb 1.01 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 31.84 2yu8 h PRO 40 CO 0.46 1.07 -0.90 0.45 -0.23 0.00 0.00 178.00 178.84 2yu8 n SER 41 N -4.17 -1.63 -2.96 1.44 2.88 -1.26 -2.42 113.62 105.51 2yu8 n SER 41 Ca -0.03 -1.20 -0.10 0.00 -1.33 0.00 0.00 58.87 56.20 2yu8 n SER 41 Cb 0.51 -1.87 0.01 0.00 -0.75 0.00 0.00 64.21 62.11 2yu8 n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu8 n GLY 42 N -1.39 -1.16 0.14 0.46 0.00 -1.26 -4.95 105.19 97.02 2yu8 n GLY 42 Ca 0.03 1.15 -0.13 0.00 0.00 0.00 0.00 46.02 47.07 2yu8 n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu8 h PRO 43 N 1.79 0.36 -3.28 1.61 0.13 -1.87 -3.41 132.00 127.34 2yu8 h PRO 43 Ca -0.07 -0.19 -0.58 0.00 -0.87 0.00 0.00 66.00 64.29 2yu8 h PRO 43 Cb 1.05 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.78 2yu8 h PRO 43 CO 0.22 0.74 -0.76 -1.54 -0.23 0.00 0.00 178.00 176.43 2yu8 s SER 44 N -6.13 3.81 0.10 1.44 1.04 -1.26 -5.12 113.70 107.59 2yu8 s SER 44 Ca -0.14 -1.82 -0.30 0.00 0.48 0.00 0.00 55.95 54.17 2yu8 s SER 44 Cb 0.05 -0.79 -0.06 0.00 0.10 0.00 0.00 66.02 65.32 2yu8 s SER 44 CO 0.75 -0.38 1.09 -0.44 0.98 0.00 0.00 173.24 175.24 2yu8 s SER 45 N 1.40 7.26 0.00 7.02 0.01 -1.26 -5.19 113.70 122.94 2yu8 s SER 45 Ca 0.12 1.96 0.00 0.00 1.31 0.00 0.00 55.95 59.33 2yu8 s SER 45 Cb -0.19 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.45 2yu8 s SER 45 CO -0.20 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 173.78