#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 s TYR 3 N 0.00 3.47 0.33 1.57 2.02 -1.26 -5.03 117.35 118.45 3ag3 s TYR 3 Ca 0.00 1.13 -0.26 0.00 -0.37 0.00 0.00 57.07 57.57 3ag3 s TYR 3 Cb 0.00 -2.87 -0.10 0.00 -0.40 0.00 0.00 41.96 38.60 3ag3 s TYR 3 CO 0.00 -0.91 0.99 -1.21 -1.57 0.00 0.00 175.55 172.85 3ag3 s GLU 4 N -5.24 4.49 0.35 -0.62 0.41 -1.26 -5.04 118.70 111.78 3ag3 s GLU 4 Ca 0.56 1.45 0.07 0.00 -0.41 0.00 0.00 54.97 56.63 3ag3 s GLU 4 Cb -0.11 -2.81 -0.07 0.00 -1.78 0.00 0.00 34.13 29.37 3ag3 s GLU 4 CO 0.52 0.17 -0.01 -1.21 -0.49 0.00 0.00 175.26 174.24 3ag3 s GLU 5 N -2.05 1.76 0.00 1.61 2.02 -1.26 -4.57 118.70 116.22 3ag3 s GLU 5 Ca 0.51 -1.96 0.00 0.00 0.02 0.00 0.00 54.97 53.54 3ag3 s GLU 5 Cb -0.22 -1.35 0.00 0.00 0.10 0.00 0.00 34.13 32.67 3ag3 s GLU 5 CO 0.27 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.93 3ag3 n GLY 6 N -0.78 2.70 3.68 -1.39 0.00 -1.26 -4.71 105.19 103.44 3ag3 n GLY 6 Ca -0.04 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.61 3ag3 n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ag3 n PRO 7 N 0.62 2.09 -0.21 1.61 -0.02 -1.26 -1.19 135.00 136.66 3ag3 n PRO 7 Ca 0.00 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3ag3 n PRO 7 Cb 0.00 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 3ag3 n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ag3 n GLY 8 N 1.86 1.59 0.00 -1.23 0.00 -1.26 -4.81 105.19 101.35 3ag3 n GLY 8 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3ag3 n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ag3 n LYS 9 N -2.00 5.46 -1.29 1.61 4.76 -0.33 -4.54 118.16 121.83 3ag3 n LYS 9 Ca 0.00 -0.10 -0.32 0.00 -2.87 0.00 0.00 58.31 55.02 3ag3 n LYS 9 Cb 0.00 -0.60 0.10 0.00 -1.84 0.00 0.00 35.03 32.69 3ag3 n LYS 9 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3ag3 n ASN 10 N -0.82 6.87 -3.88 4.39 6.94 -1.20 -4.70 115.26 122.86 3ag3 n ASN 10 Ca 0.00 -3.72 -0.11 0.00 -0.02 0.00 0.00 54.58 50.73 3ag3 n ASN 10 Cb 0.00 -0.95 -0.10 0.00 -2.36 0.00 0.00 39.78 36.37 3ag3 n ASN 10 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 3ag3 s ILE 11 N -4.41 0.09 -2.03 1.53 -4.36 -1.26 -5.06 121.20 105.69 3ag3 s ILE 11 Ca 0.62 -0.73 0.11 0.00 -0.26 0.00 0.00 60.65 60.38 3ag3 s ILE 11 Cb 0.49 -0.45 0.29 0.00 1.25 0.00 0.00 42.46 44.03 3ag3 s ILE 11 CO 0.01 -0.40 1.35 -0.81 0.24 0.00 0.00 174.94 175.34 3ag3 n PRO 12 N 1.40 1.20 -4.33 0.37 -0.04 -1.26 -4.84 135.00 127.51 3ag3 n PRO 12 Ca -0.23 -0.31 -0.20 0.00 -0.04 0.00 0.00 63.50 62.72 3ag3 n PRO 12 Cb 0.56 -1.19 -0.11 0.00 -0.04 0.00 0.00 33.50 32.72 3ag3 n PRO 12 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3ag3 s PHE 13 N -1.91 1.76 0.11 0.54 -0.12 -1.26 -5.12 117.98 111.97 3ag3 s PHE 13 Ca 0.17 -0.50 -0.27 0.00 -0.05 0.00 0.00 56.93 56.28 3ag3 s PHE 13 Cb 0.08 -0.86 -0.07 0.00 -0.63 0.00 0.00 43.02 41.55 3ag3 s PHE 13 CO 0.13 0.33 0.83 0.45 -0.05 0.00 0.00 175.22 176.91 3ag3 s SER 14 N -2.85 7.37 -0.25 1.98 0.15 -1.26 -4.95 113.70 113.89 3ag3 s SER 14 Ca 0.17 1.63 0.12 0.00 0.70 0.00 0.00 55.95 58.57 3ag3 s SER 14 Cb -0.04 -2.52 0.50 0.00 -1.71 0.00 0.00 66.02 62.24 3ag3 s SER 14 CO 0.06 0.06 1.43 1.33 1.20 0.00 0.00 173.24 177.32 3ag3 n VAL 15 N 2.37 2.43 0.09 4.45 0.24 -1.26 -4.61 118.33 122.04 3ag3 n VAL 15 Ca -0.02 -2.49 -0.05 0.00 -2.04 0.00 0.00 64.34 59.74 3ag3 n VAL 15 Cb 0.49 -0.30 0.11 0.00 -1.47 0.00 0.00 33.84 32.68 3ag3 n VAL 15 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3ag3 h GLU 16 N 1.15 0.20 -4.53 7.34 4.57 -1.92 -3.40 114.58 117.99 3ag3 h GLU 16 Ca 0.14 -0.15 -0.55 0.00 -1.18 0.00 0.00 59.36 57.62 3ag3 h GLU 16 Cb 1.54 0.03 -0.35 0.00 -0.16 0.00 0.00 28.75 29.81 3ag3 h GLU 16 CO 0.31 0.77 -0.82 1.21 -1.18 0.00 0.00 179.01 179.30 3ag3 s ASN 17 N -6.89 2.21 0.54 1.04 3.84 -1.26 -5.02 114.94 109.39 3ag3 s ASN 17 Ca -0.03 -0.36 0.33 0.00 0.21 0.00 0.00 52.86 53.00 3ag3 s ASN 17 Cb 0.12 -0.96 1.35 0.00 -0.55 0.00 0.00 41.25 41.21 3ag3 s ASN 17 CO 0.80 -0.02 1.98 0.07 -2.79 0.00 0.00 177.10 177.13 3ag3 h LYS 18 N 7.57 0.00 0.15 0.43 2.10 -1.96 -0.60 116.57 124.26 3ag3 h LYS 18 Ca -0.31 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.00 3ag3 h LYS 18 Cb 1.16 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3ag3 h LYS 18 CO 0.47 0.02 -1.72 -1.49 -2.00 0.00 0.00 179.45 174.72 3ag3 h TRP 19 N 0.00 0.58 -0.51 0.07 4.06 -1.96 -1.36 115.95 116.83 3ag3 h TRP 19 Ca -0.00 -0.42 -0.09 0.00 2.06 0.00 0.00 58.89 60.44 3ag3 h TRP 19 Cb 0.52 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.64 3ag3 h TRP 19 CO 0.00 1.58 -0.04 -0.09 -3.56 0.00 0.00 178.44 176.32 3ag3 h ARG 20 N 0.09 0.89 -0.76 0.49 2.43 -1.90 -1.71 114.38 113.91 3ag3 h ARG 20 Ca -0.32 -0.28 0.01 0.00 -0.81 0.00 0.00 59.98 58.58 3ag3 h ARG 20 Cb 2.06 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 31.49 3ag3 h ARG 20 CO 0.16 0.91 0.50 1.25 -1.51 0.00 0.00 179.97 181.28 3ag3 h LEU 21 N 0.81 0.86 -0.85 3.80 5.85 -1.15 -0.68 115.31 123.96 3ag3 h LEU 21 Ca 0.15 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3ag3 h LEU 21 Cb 0.55 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 3ag3 h LEU 21 CO 0.03 0.62 0.55 0.25 -0.34 0.00 0.00 178.44 179.55 3ag3 h LEU 22 N 1.02 0.92 -0.34 2.25 5.85 -0.92 0.28 115.31 124.36 3ag3 h LEU 22 Ca 0.28 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.85 3ag3 h LEU 22 Cb -0.11 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 3ag3 h LEU 22 CO -0.07 0.63 -0.34 0.00 -0.34 0.00 0.00 178.44 178.33 3ag3 h ALA 23 N 1.35 0.50 -0.46 1.25 0.00 -0.81 -0.12 119.26 120.97 3ag3 h ALA 23 Ca 0.34 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 3ag3 h ALA 23 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3ag3 h ALA 23 CO -0.11 0.56 -0.16 0.52 0.00 0.00 0.00 179.25 180.06 3ag3 h MET 24 N 0.61 0.92 -0.36 0.00 2.86 0.04 -2.13 114.93 116.87 3ag3 h MET 24 Ca 0.05 -0.38 -0.07 0.00 -2.06 0.00 0.00 59.70 57.25 3ag3 h MET 24 Cb 0.92 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 3ag3 h MET 24 CO 0.08 1.03 -0.06 0.52 1.06 0.00 0.00 176.91 179.55 3ag3 h MET 25 N 0.76 0.68 -0.55 1.72 2.07 -0.30 0.95 114.93 120.26 3ag3 h MET 25 Ca 0.11 -0.25 0.09 0.00 -2.07 0.00 0.00 59.70 57.59 3ag3 h MET 25 Cb 0.72 -0.05 -0.07 0.00 -1.87 0.00 0.00 31.60 30.33 3ag3 h MET 25 CO 0.06 0.82 0.14 1.15 1.07 0.00 0.00 176.91 180.15 3ag3 h THR 26 N 0.48 0.72 -0.18 2.22 2.02 -0.99 0.15 112.91 117.33 3ag3 h THR 26 Ca 0.10 -0.10 -0.20 0.00 0.77 0.00 0.00 66.41 66.98 3ag3 h THR 26 Cb 0.55 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3ag3 h THR 26 CO 0.03 0.05 -0.69 -0.07 0.37 0.00 0.00 175.52 175.21 3ag3 h LEU 27 N 0.29 0.85 0.29 2.58 3.38 -1.18 0.17 115.31 121.68 3ag3 h LEU 27 Ca 0.28 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3ag3 h LEU 27 Cb 0.38 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3ag3 h LEU 27 CO -0.34 1.31 -0.14 0.15 0.09 0.00 0.00 178.44 179.51 3ag3 h PHE 28 N 0.52 -0.36 -0.32 1.13 3.57 -0.57 -1.03 116.94 119.89 3ag3 h PHE 28 Ca -0.03 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 3ag3 h PHE 28 Cb 1.30 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.14 3ag3 h PHE 28 CO 0.07 -0.22 -0.18 0.74 -2.23 0.00 0.00 178.31 176.49 3ag3 h PHE 29 N -0.47 0.64 -0.22 0.41 -1.00 -0.82 -3.01 116.94 112.47 3ag3 h PHE 29 Ca -0.04 -0.12 -0.07 0.00 2.81 0.00 0.00 57.97 60.55 3ag3 h PHE 29 Cb 0.29 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 3ag3 h PHE 29 CO 0.11 0.73 -0.15 0.78 -1.61 0.00 0.00 178.31 178.17 3ag3 h GLY 30 N 0.98 0.41 1.25 -1.45 0.00 -0.75 -0.93 103.07 102.57 3ag3 h GLY 30 Ca 0.09 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 47.00 3ag3 h GLY 30 CO 0.04 0.26 -0.28 1.48 0.00 0.00 0.00 176.54 178.04 3ag3 h SER 31 N 0.35 0.88 0.28 0.19 4.64 -1.08 0.33 113.55 119.14 3ag3 h SER 31 Ca 0.07 -0.35 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 3ag3 h SER 31 Cb 0.48 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3ag3 h SER 31 CO 0.03 1.10 -0.13 1.23 -0.87 0.00 0.00 176.83 178.19 3ag3 h GLY 32 N 0.91 -0.39 1.13 -0.77 0.00 -1.36 -1.90 103.07 100.69 3ag3 h GLY 32 Ca 0.09 0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.58 3ag3 h GLY 32 CO 0.07 -0.14 0.54 -2.75 0.00 0.00 0.00 176.54 174.26 3ag3 h PHE 33 N -0.51 1.00 0.00 5.60 3.57 -1.12 -3.00 116.94 122.49 3ag3 h PHE 33 Ca -0.04 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.35 3ag3 h PHE 33 Cb 0.38 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3ag3 h PHE 33 CO -0.02 0.61 -0.63 0.00 -2.23 0.00 0.00 178.31 176.04 3ag3 h ALA 34 N 1.51 0.68 -0.46 2.41 0.00 -0.82 -3.37 119.26 119.20 3ag3 h ALA 34 Ca 0.32 -0.57 0.09 0.00 0.00 0.00 0.00 54.91 54.74 3ag3 h ALA 34 Cb -0.04 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.57 3ag3 h ALA 34 CO -0.08 0.79 -0.05 0.00 0.00 0.00 0.00 179.25 179.90 3ag3 h ALA 35 N 1.37 0.38 -0.09 0.00 0.00 -1.19 -1.75 119.26 117.98 3ag3 h ALA 35 Ca -0.01 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3ag3 h ALA 35 Cb 1.36 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 3ag3 h ALA 35 CO 0.08 -0.42 -0.25 -1.35 0.00 0.00 0.00 179.25 177.32 3ag3 h PRO 36 N 0.06 0.16 -0.72 0.00 0.11 -1.76 0.78 132.00 130.62 3ag3 h PRO 36 Ca 0.23 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.29 3ag3 h PRO 36 Cb 0.34 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.40 3ag3 h PRO 36 CO -0.42 0.40 0.47 0.74 -0.21 0.00 0.00 178.00 178.98 3ag3 h PHE 37 N 0.14 0.90 0.00 0.65 -1.00 -1.56 0.13 116.94 116.21 3ag3 h PHE 37 Ca 0.02 0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.71 3ag3 h PHE 37 Cb 0.52 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 39.76 3ag3 h PHE 37 CO 0.01 0.57 -0.54 0.74 -1.61 0.00 0.00 178.31 177.48 3ag3 h PHE 38 N 0.97 0.00 -0.10 -0.55 -1.00 -0.77 -1.37 116.94 114.12 3ag3 h PHE 38 Ca 0.26 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.83 3ag3 h PHE 38 Cb -0.10 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.47 3ag3 h PHE 38 CO -0.02 0.54 -0.75 0.82 -1.61 0.00 0.00 178.31 177.29 3ag3 h ILE 39 N 0.00 1.31 -0.39 -0.55 2.04 -0.41 -0.68 117.51 118.82 3ag3 h ILE 39 Ca -0.01 -1.99 0.02 0.00 1.00 0.00 0.00 64.86 63.88 3ag3 h ILE 39 Cb 1.14 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 39.34 3ag3 h ILE 39 CO 0.07 0.62 0.22 0.58 0.00 0.00 0.00 178.15 179.64 3ag3 h VAL 40 N 0.37 1.02 -0.62 1.67 2.07 -0.63 -1.55 116.25 118.58 3ag3 h VAL 40 Ca -0.06 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.42 3ag3 h VAL 40 Cb 1.39 0.54 -0.09 0.00 -1.52 0.00 0.00 31.29 31.61 3ag3 h VAL 40 CO 0.15 0.08 0.16 -0.09 0.02 0.00 0.00 177.57 177.89 3ag3 h ARG 41 N 0.44 0.29 -0.71 1.57 2.43 -1.20 0.55 114.38 117.75 3ag3 h ARG 41 Ca 0.16 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3ag3 h ARG 41 Cb 0.03 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 3ag3 h ARG 41 CO -0.09 0.19 0.43 1.25 -1.51 0.00 0.00 179.97 180.24 3ag3 h HIS 42 N 0.29 0.93 -0.08 2.20 2.76 -0.75 0.11 115.15 120.61 3ag3 h HIS 42 Ca 0.33 -0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 58.31 3ag3 h HIS 42 Cb 0.48 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.13 3ag3 h HIS 42 CO -0.23 0.63 -0.72 1.96 -1.30 0.00 0.00 177.93 178.27 3ag3 h GLN 43 N 0.97 0.41 -0.20 5.26 1.08 -0.78 -2.73 115.11 119.11 3ag3 h GLN 43 Ca 0.25 -0.33 -0.11 0.00 -1.45 0.00 0.00 58.65 57.01 3ag3 h GLN 43 Cb -0.03 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 3ag3 h GLN 43 CO -0.05 0.97 -0.35 -0.07 -0.95 0.00 0.00 178.83 178.38 3ag3 h LEU 44 N 0.28 0.45 -0.81 1.46 3.38 -0.40 -3.03 115.31 116.64 3ag3 h LEU 44 Ca -0.03 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3ag3 h LEU 44 Cb 1.29 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3ag3 h LEU 44 CO 0.12 0.77 0.00 -0.07 0.09 0.00 0.00 178.44 179.35 3ag3 h LEU 45 N 0.37 0.00 0.00 1.67 3.38 -0.61 -3.16 115.31 116.96 3ag3 h LEU 45 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ag3 h LEU 45 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3ag3 h LEU 45 CO 0.06 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.88 3ag3 n LYS 46 N -2.64 0.06 0.00 1.13 5.02 -1.05 -5.09 118.16 115.59 3ag3 n LYS 46 Ca 0.02 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3ag3 n LYS 46 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3ag3 n LYS 46 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05