#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag1 s TYR 3 N 0.00 3.35 0.56 1.57 2.02 -1.26 -5.09 117.35 118.51 3ag1 s TYR 3 Ca 0.00 -0.01 -0.20 0.00 -0.37 0.00 0.00 57.07 56.49 3ag1 s TYR 3 Cb 0.00 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.97 3ag1 s TYR 3 CO 0.00 0.48 1.25 -1.21 -1.57 0.00 0.00 175.55 174.50 3ag1 s GLU 4 N -3.70 3.13 0.16 -0.62 0.41 -1.26 -5.05 118.70 111.77 3ag1 s GLU 4 Ca 0.34 1.94 0.08 0.00 -0.41 0.00 0.00 54.97 56.91 3ag1 s GLU 4 Cb -0.09 -2.09 -0.04 0.00 -1.78 0.00 0.00 34.13 30.12 3ag1 s GLU 4 CO 0.27 -1.11 -0.17 -1.21 -0.49 0.00 0.00 175.26 172.55 3ag1 s GLU 5 N -3.11 1.22 0.00 1.61 2.02 -1.26 -4.68 118.70 114.50 3ag1 s GLU 5 Ca 0.74 -1.38 0.00 0.00 0.02 0.00 0.00 54.97 54.35 3ag1 s GLU 5 Cb -0.33 -1.22 0.00 0.00 0.10 0.00 0.00 34.13 32.68 3ag1 s GLU 5 CO 0.38 0.24 0.00 0.41 0.02 0.00 0.00 175.26 176.31 3ag1 n GLY 6 N 0.30 1.65 3.63 -1.39 0.00 -1.26 -4.78 105.19 103.34 3ag1 n GLY 6 Ca -0.13 -2.07 -0.45 0.00 0.00 0.00 0.00 46.02 43.37 3ag1 n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ag1 n PRO 7 N 0.83 1.64 -0.82 1.61 -0.02 -1.26 -0.65 135.00 136.33 3ag1 n PRO 7 Ca 0.00 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3ag1 n PRO 7 Cb 0.00 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 3ag1 n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ag1 n GLY 8 N 1.64 0.95 0.00 -1.23 0.00 -1.26 -4.83 105.19 100.46 3ag1 n GLY 8 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 3ag1 n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ag1 n LYS 9 N -2.00 2.10 -1.47 1.61 4.76 0.18 -4.65 118.16 118.69 3ag1 n LYS 9 Ca 0.00 -0.04 -0.29 0.00 -2.87 0.00 0.00 58.31 55.11 3ag1 n LYS 9 Cb 0.00 -1.03 0.08 0.00 -1.84 0.00 0.00 35.03 32.24 3ag1 n LYS 9 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3ag1 n ASN 10 N -1.51 6.26 -3.92 4.39 6.94 -1.24 -4.72 115.26 121.46 3ag1 n ASN 10 Ca -0.00 -3.77 -0.11 0.00 -0.02 0.00 0.00 54.58 50.68 3ag1 n ASN 10 Cb 0.16 -0.77 -0.13 0.00 -2.36 0.00 0.00 39.78 36.68 3ag1 n ASN 10 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 3ag1 s ILE 11 N -4.53 0.05 -2.00 1.53 -4.36 -1.26 -5.06 121.20 105.56 3ag1 s ILE 11 Ca 0.59 -0.40 0.16 0.00 -0.26 0.00 0.00 60.65 60.73 3ag1 s ILE 11 Cb 0.47 -0.13 0.45 0.00 1.25 0.00 0.00 42.46 44.50 3ag1 s ILE 11 CO 0.01 -0.22 1.54 -0.81 0.24 0.00 0.00 174.94 175.70 3ag1 n PRO 12 N 2.41 0.91 -4.44 0.37 -0.04 -1.26 -4.77 135.00 128.17 3ag1 n PRO 12 Ca -0.17 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.04 3ag1 n PRO 12 Cb 0.58 -1.27 -0.10 0.00 -0.04 0.00 0.00 33.50 32.67 3ag1 n PRO 12 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3ag1 s PHE 13 N -2.00 2.33 0.06 0.54 -0.12 -1.26 -5.12 117.98 112.41 3ag1 s PHE 13 Ca 0.24 -0.32 -0.18 0.00 -0.05 0.00 0.00 56.93 56.61 3ag1 s PHE 13 Cb 0.11 -1.04 -0.06 0.00 -0.63 0.00 0.00 43.02 41.40 3ag1 s PHE 13 CO 0.18 0.67 0.53 0.45 -0.05 0.00 0.00 175.22 177.00 3ag1 s SER 14 N -3.38 6.99 -0.17 1.98 0.15 -1.26 -4.97 113.70 113.04 3ag1 s SER 14 Ca 0.29 1.18 0.16 0.00 0.70 0.00 0.00 55.95 58.27 3ag1 s SER 14 Cb -0.06 -2.33 0.36 0.00 -1.71 0.00 0.00 66.02 62.28 3ag1 s SER 14 CO 0.15 0.28 1.20 1.33 1.20 0.00 0.00 173.24 177.40 3ag1 n VAL 15 N 1.68 2.05 -0.17 4.45 0.24 -1.26 -4.67 118.33 120.65 3ag1 n VAL 15 Ca -0.11 -2.60 -0.07 0.00 -2.04 0.00 0.00 64.34 59.52 3ag1 n VAL 15 Cb 0.51 -0.24 0.09 0.00 -1.47 0.00 0.00 33.84 32.73 3ag1 n VAL 15 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3ag1 h GLU 16 N 0.48 0.95 -4.57 7.34 4.57 -1.93 -3.40 114.58 118.03 3ag1 h GLU 16 Ca 0.01 -0.28 -0.61 0.00 -1.18 0.00 0.00 59.36 57.30 3ag1 h GLU 16 Cb 1.06 -0.10 -0.37 0.00 -0.16 0.00 0.00 28.75 29.18 3ag1 h GLU 16 CO 0.03 0.93 -0.81 1.21 -1.18 0.00 0.00 179.01 179.19 3ag1 s ASN 17 N -6.60 3.27 0.47 1.04 3.84 -1.26 -5.02 114.94 110.69 3ag1 s ASN 17 Ca -0.11 -0.82 0.16 0.00 0.21 0.00 0.00 52.86 52.31 3ag1 s ASN 17 Cb 0.14 -1.21 1.15 0.00 -0.55 0.00 0.00 41.25 40.78 3ag1 s ASN 17 CO 0.84 -0.13 2.03 0.07 -2.79 0.00 0.00 177.10 177.11 3ag1 h LYS 18 N 7.99 0.23 0.25 0.43 2.10 -1.96 -1.37 116.57 124.24 3ag1 h LYS 18 Ca -0.29 -0.01 -0.34 0.00 -2.00 0.00 0.00 60.65 58.01 3ag1 h LYS 18 Cb 1.10 -0.05 0.04 0.00 -0.90 0.00 0.00 32.23 32.42 3ag1 h LYS 18 CO 0.48 0.15 -1.48 -1.49 -2.00 0.00 0.00 179.45 175.12 3ag1 h TRP 19 N 0.24 0.96 -0.55 0.07 4.06 -1.97 -1.12 115.95 117.63 3ag1 h TRP 19 Ca 0.20 -0.70 -0.07 0.00 2.06 0.00 0.00 58.89 60.37 3ag1 h TRP 19 Cb 0.48 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.57 3ag1 h TRP 19 CO -0.00 1.55 0.05 -0.09 -3.56 0.00 0.00 178.44 176.39 3ag1 h ARG 20 N 0.14 0.90 -0.67 0.49 2.43 -1.93 -2.29 114.38 113.44 3ag1 h ARG 20 Ca -0.25 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 3ag1 h ARG 20 Cb 2.16 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 31.57 3ag1 h ARG 20 CO 0.27 0.86 0.39 1.25 -1.51 0.00 0.00 179.97 181.24 3ag1 h LEU 21 N 0.85 0.82 -0.99 3.80 5.85 -1.24 -0.99 115.31 123.40 3ag1 h LEU 21 Ca 0.17 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3ag1 h LEU 21 Cb 0.43 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3ag1 h LEU 21 CO 0.01 0.66 0.38 0.25 -0.34 0.00 0.00 178.44 179.41 3ag1 h LEU 22 N 0.92 0.99 0.18 2.25 5.85 -0.92 -0.28 115.31 124.30 3ag1 h LEU 22 Ca 0.24 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 3ag1 h LEU 22 Cb -0.00 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.78 3ag1 h LEU 22 CO -0.04 0.83 -0.09 0.00 -0.34 0.00 0.00 178.44 178.80 3ag1 h ALA 23 N 1.33 -0.24 -0.51 1.25 0.00 -1.28 -1.85 119.26 117.94 3ag1 h ALA 23 Ca 0.27 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3ag1 h ALA 23 Cb 0.09 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 3ag1 h ALA 23 CO -0.04 -0.51 0.01 0.52 0.00 0.00 0.00 179.25 179.23 3ag1 h MET 24 N -0.49 0.13 -0.72 0.00 2.86 -0.78 -2.40 114.93 113.53 3ag1 h MET 24 Ca -0.02 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3ag1 h MET 24 Cb 0.38 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 3ag1 h MET 24 CO 0.04 0.08 0.35 0.52 1.06 0.00 0.00 176.91 178.97 3ag1 h MET 25 N 0.13 1.03 -0.10 1.72 2.07 -1.04 -1.74 114.93 117.01 3ag1 h MET 25 Ca 0.26 -0.15 0.01 0.00 -2.07 0.00 0.00 59.70 57.76 3ag1 h MET 25 Cb 0.39 -0.19 -0.01 0.00 -1.87 0.00 0.00 31.60 29.92 3ag1 h MET 25 CO -0.42 0.80 0.00 1.15 1.07 0.00 0.00 176.91 179.52 3ag1 h THR 26 N 1.00 0.94 -0.50 2.22 2.02 -1.31 -0.83 112.91 116.44 3ag1 h THR 26 Ca 0.25 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.40 3ag1 h THR 26 Cb 0.11 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 3ag1 h THR 26 CO -0.03 0.01 0.26 -0.07 0.37 0.00 0.00 175.52 176.06 3ag1 h LEU 27 N 0.03 0.64 0.51 2.58 3.38 -1.37 0.24 115.31 121.32 3ag1 h LEU 27 Ca 0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3ag1 h LEU 27 Cb 0.05 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3ag1 h LEU 27 CO -0.08 0.57 -0.24 0.15 0.09 0.00 0.00 178.44 178.93 3ag1 h PHE 28 N 0.67 -0.63 -0.52 1.13 3.57 -1.09 -0.58 116.94 119.48 3ag1 h PHE 28 Ca 0.18 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.56 3ag1 h PHE 28 Cb 0.08 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3ag1 h PHE 28 CO -0.01 -0.39 -0.09 0.74 -2.23 0.00 0.00 178.31 176.33 3ag1 h PHE 29 N -1.00 1.09 -0.77 0.41 -1.00 -1.24 -2.98 116.94 111.44 3ag1 h PHE 29 Ca -0.07 -0.22 -0.01 0.00 2.81 0.00 0.00 57.97 60.48 3ag1 h PHE 29 Cb 0.52 -0.27 -0.04 0.00 3.61 0.00 0.00 35.95 39.77 3ag1 h PHE 29 CO 0.03 1.02 0.45 0.78 -1.61 0.00 0.00 178.31 178.98 3ag1 h GLY 30 N 0.85 1.14 1.69 -1.45 0.00 -0.61 -1.67 103.07 103.01 3ag1 h GLY 30 Ca 0.14 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 3ag1 h GLY 30 CO 0.04 0.47 -0.46 1.48 0.00 0.00 0.00 176.54 178.07 3ag1 h SER 31 N 1.06 0.36 -0.25 0.19 4.64 -0.99 -1.71 113.55 116.86 3ag1 h SER 31 Ca 0.28 -0.17 0.01 0.00 -0.47 0.00 0.00 61.79 61.43 3ag1 h SER 31 Cb -0.01 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 3ag1 h SER 31 CO -0.05 0.78 0.15 1.23 -0.87 0.00 0.00 176.83 178.07 3ag1 h GLY 32 N 1.23 0.35 1.67 -0.77 0.00 -1.34 -2.46 103.07 101.75 3ag1 h GLY 32 Ca 0.02 -0.12 -0.16 0.00 0.00 0.00 0.00 47.33 47.07 3ag1 h GLY 32 CO 0.08 0.11 -0.61 -2.75 0.00 0.00 0.00 176.54 173.36 3ag1 h PHE 33 N 0.31 0.43 -0.06 5.60 3.57 -1.23 -3.13 116.94 122.44 3ag1 h PHE 33 Ca 0.10 -0.17 -0.11 0.00 3.53 0.00 0.00 57.97 61.32 3ag1 h PHE 33 Cb -0.01 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 3ag1 h PHE 33 CO -0.07 0.86 -0.46 0.00 -2.23 0.00 0.00 178.31 176.41 3ag1 h ALA 34 N 1.10 1.13 -0.36 2.41 0.00 -1.30 -3.37 119.26 118.88 3ag1 h ALA 34 Ca -0.01 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.50 3ag1 h ALA 34 Cb 1.14 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3ag1 h ALA 34 CO 0.10 0.60 0.15 0.00 0.00 0.00 0.00 179.25 180.11 3ag1 h ALA 35 N 1.42 0.43 0.00 0.00 0.00 -1.38 -1.80 119.26 117.92 3ag1 h ALA 35 Ca 0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ag1 h ALA 35 Cb 0.85 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3ag1 h ALA 35 CO 0.07 -0.23 -0.09 -1.35 0.00 0.00 0.00 179.25 177.65 3ag1 h PRO 36 N 0.32 0.00 -0.54 0.00 0.11 -1.77 -0.78 132.00 129.34 3ag1 h PRO 36 Ca 0.15 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.17 3ag1 h PRO 36 Cb 0.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 3ag1 h PRO 36 CO -0.13 0.09 -0.03 0.74 -0.21 0.00 0.00 178.00 178.46 3ag1 h PHE 37 N 0.00 1.06 0.00 0.65 -1.00 -1.58 -1.15 116.94 114.92 3ag1 h PHE 37 Ca -0.00 -0.19 -0.09 0.00 2.81 0.00 0.00 57.97 60.49 3ag1 h PHE 37 Cb 0.17 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 3ag1 h PHE 37 CO 0.00 0.98 -0.45 0.74 -1.61 0.00 0.00 178.31 177.97 3ag1 h PHE 38 N 0.84 0.00 -0.12 -0.55 -1.00 -1.10 -1.86 116.94 113.15 3ag1 h PHE 38 Ca 0.15 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.84 3ag1 h PHE 38 Cb 0.57 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.13 3ag1 h PHE 38 CO 0.04 0.45 -0.29 0.82 -1.61 0.00 0.00 178.31 177.72 3ag1 h ILE 39 N 0.00 1.38 -0.51 -0.55 2.04 -0.70 -0.65 117.51 118.53 3ag1 h ILE 39 Ca -0.00 -1.59 0.07 0.00 1.00 0.00 0.00 64.86 64.33 3ag1 h ILE 39 Cb 0.86 2.11 -0.06 0.00 -0.74 0.00 0.00 36.82 38.99 3ag1 h ILE 39 CO 0.06 0.47 0.17 0.58 0.00 0.00 0.00 178.15 179.43 3ag1 h VAL 40 N -0.02 0.81 -0.23 1.67 2.07 -1.21 -1.36 116.25 117.98 3ag1 h VAL 40 Ca -0.00 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3ag1 h VAL 40 Cb 0.90 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3ag1 h VAL 40 CO 0.06 0.06 0.03 -0.09 0.02 0.00 0.00 177.57 177.65 3ag1 h ARG 41 N 0.35 0.10 -0.81 1.57 2.43 -1.26 0.11 114.38 116.87 3ag1 h ARG 41 Ca 0.25 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.48 3ag1 h ARG 41 Cb 0.28 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 3ag1 h ARG 41 CO -0.26 0.07 0.53 1.25 -1.51 0.00 0.00 179.97 180.05 3ag1 h HIS 42 N 0.11 0.87 -0.08 2.20 2.76 -0.87 0.17 115.15 120.31 3ag1 h HIS 42 Ca 0.11 0.02 -0.23 0.00 -2.20 0.00 0.00 60.37 58.07 3ag1 h HIS 42 Cb 0.12 -0.29 0.01 0.00 1.55 0.00 0.00 27.41 28.81 3ag1 h HIS 42 CO -0.17 0.44 -0.85 1.96 -1.30 0.00 0.00 177.93 178.02 3ag1 h GLN 43 N 0.85 0.72 -0.94 5.26 1.08 -0.09 -2.01 115.11 119.97 3ag1 h GLN 43 Ca 0.36 -0.66 0.03 0.00 -1.45 0.00 0.00 58.65 56.92 3ag1 h GLN 43 Cb 0.29 0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.83 3ag1 h GLN 43 CO -0.13 1.26 0.62 -0.07 -0.95 0.00 0.00 178.83 179.56 3ag1 h LEU 44 N 0.41 1.04 -0.08 1.46 3.38 -0.28 -3.19 115.31 118.05 3ag1 h LEU 44 Ca -0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ag1 h LEU 44 Cb 1.49 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3ag1 h LEU 44 CO 0.17 0.72 0.00 -0.07 0.09 0.00 0.00 178.44 179.35 3ag1 h LEU 45 N 1.21 0.00 -0.78 1.67 3.38 -0.84 -3.04 115.31 116.92 3ag1 h LEU 45 Ca 0.37 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.23 3ag1 h LEU 45 Cb -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3ag1 h LEU 45 CO -0.11 0.00 -0.53 0.11 0.09 0.00 0.00 178.44 178.01 3ag1 h LYS 46 N 0.00 0.00 0.00 1.13 1.57 -1.35 -3.51 116.57 114.42 3ag1 h LYS 46 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ag1 h LYS 46 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3ag1 h LYS 46 CO 0.00 0.53 0.00 1.17 -0.57 0.00 0.00 179.45 180.58