#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 0.32 1.57 2.02 -1.26 -5.06 117.35 118.30 3ag1 s TYR 3 Ca 0.00 0.44 -0.29 0.00 -0.37 0.00 0.00 57.07 56.85 3ag1 s TYR 3 Cb 0.00 -2.31 -0.11 0.00 -0.40 0.00 0.00 41.96 39.14 3ag1 s TYR 3 CO 0.00 -0.34 1.56 -1.21 -1.57 0.00 0.00 175.55 173.99 3ag1 s GLU 4 N -4.63 4.11 0.01 -0.62 0.41 -1.26 -5.03 118.70 111.69 3ag1 s GLU 4 Ca 0.48 2.59 0.06 0.00 -0.41 0.00 0.00 54.97 57.68 3ag1 s GLU 4 Cb -0.10 -3.00 -0.02 0.00 -1.78 0.00 0.00 34.13 29.23 3ag1 s GLU 4 CO 0.40 -0.61 -0.18 -1.21 -0.49 0.00 0.00 175.26 173.17 3ag1 s GLU 5 N -1.08 1.38 0.00 1.61 2.02 -1.26 -4.57 118.70 116.80 3ag1 s GLU 5 Ca 0.60 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.84 3ag1 s GLU 5 Cb -0.48 -1.39 0.00 0.00 0.10 0.00 0.00 34.13 32.36 3ag1 s GLU 5 CO 0.54 0.37 0.00 0.41 0.02 0.00 0.00 175.26 176.60 3ag1 n GLY 6 N 2.31 1.26 3.65 -1.39 0.00 -1.26 -4.78 105.19 104.97 3ag1 n GLY 6 Ca -0.16 -2.27 -0.53 0.00 0.00 0.00 0.00 46.02 43.07 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 -1.06 1.40 0.00 1.61 -0.02 -1.26 -0.03 135.00 135.64 3ag1 n PRO 7 Ca 0.00 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3ag1 n PRO 7 Cb 0.00 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 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 3.40 1.80 0.19 -1.23 0.00 -1.26 -4.85 105.19 103.23 3ag1 n GLY 8 Ca 0.21 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.32 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 1.39 -1.57 1.61 4.76 0.95 -4.58 118.16 118.73 3ag1 n LYS 9 Ca 0.00 -0.40 -0.23 0.00 -2.87 0.00 0.00 58.31 54.81 3ag1 n LYS 9 Cb 0.00 -1.33 0.08 0.00 -1.84 0.00 0.00 35.03 31.94 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 -0.80 5.14 -3.93 4.39 6.94 -1.23 -4.58 115.26 121.18 3ag1 n ASN 10 Ca 0.05 -3.77 -0.10 0.00 -0.02 0.00 0.00 54.58 50.74 3ag1 n ASN 10 Cb 0.32 -0.58 -0.11 0.00 -2.36 0.00 0.00 39.78 37.05 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 -4.37 0.09 -2.00 1.53 -4.36 -1.26 -5.06 121.20 105.77 3ag1 s ILE 11 Ca 0.53 -0.76 0.20 0.00 -0.26 0.00 0.00 60.65 60.36 3ag1 s ILE 11 Cb 0.44 -0.31 0.57 0.00 1.25 0.00 0.00 42.46 44.40 3ag1 s ILE 11 CO 0.02 -0.42 1.60 -0.81 0.24 0.00 0.00 174.94 175.57 3ag1 n PRO 12 N 1.66 0.70 -4.33 0.37 -0.04 -1.26 -4.76 135.00 127.34 3ag1 n PRO 12 Ca -0.23 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.04 3ag1 n PRO 12 Cb 0.56 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 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 1.69 0.05 0.54 -0.12 -1.26 -5.14 117.98 111.74 3ag1 s PHE 13 Ca 0.30 -0.55 -0.18 0.00 -0.05 0.00 0.00 56.93 56.45 3ag1 s PHE 13 Cb 0.14 -0.81 -0.06 0.00 -0.63 0.00 0.00 43.02 41.65 3ag1 s PHE 13 CO 0.23 0.33 0.52 0.45 -0.05 0.00 0.00 175.22 176.69 3ag1 s SER 14 N -3.08 6.97 -0.14 1.98 0.15 -1.26 -4.96 113.70 113.36 3ag1 s SER 14 Ca 0.19 1.16 0.15 0.00 0.70 0.00 0.00 55.95 58.15 3ag1 s SER 14 Cb -0.02 -2.32 0.33 0.00 -1.71 0.00 0.00 66.02 62.30 3ag1 s SER 14 CO 0.06 0.28 1.17 1.33 1.20 0.00 0.00 173.24 177.28 3ag1 n VAL 15 N 1.70 1.73 -0.20 4.45 0.24 -1.26 -4.70 118.33 120.29 3ag1 n VAL 15 Ca -0.11 -2.41 0.01 0.00 -2.04 0.00 0.00 64.34 59.79 3ag1 n VAL 15 Cb 0.51 -0.09 0.10 0.00 -1.47 0.00 0.00 33.84 32.89 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 0.49 0.13 -3.95 7.34 4.57 -1.94 -3.41 114.58 117.82 3ag1 h GLU 16 Ca -0.02 -0.01 -0.52 0.00 -1.18 0.00 0.00 59.36 57.64 3ag1 h GLU 16 Cb 1.10 -0.03 -0.38 0.00 -0.16 0.00 0.00 28.75 29.28 3ag1 h GLU 16 CO 0.01 0.09 -0.78 1.21 -1.18 0.00 0.00 179.01 178.35 3ag1 s ASN 17 N -5.24 2.51 0.60 1.04 3.84 -1.26 -5.02 114.94 111.40 3ag1 s ASN 17 Ca -0.13 -0.53 0.35 0.00 0.21 0.00 0.00 52.86 52.76 3ag1 s ASN 17 Cb 0.18 -0.74 1.90 0.00 -0.55 0.00 0.00 41.25 42.04 3ag1 s ASN 17 CO 0.74 -0.20 2.22 0.07 -2.79 0.00 0.00 177.10 177.14 3ag1 h LYS 18 N 8.19 0.00 0.23 0.43 2.10 -1.96 -0.96 116.57 124.61 3ag1 h LYS 18 Ca -0.22 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.08 3ag1 h LYS 18 Cb 1.12 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.48 3ag1 h LYS 18 CO 0.36 0.03 -1.60 -1.49 -2.00 0.00 0.00 179.45 174.75 3ag1 h TRP 19 N 0.00 0.89 -0.39 0.07 4.06 -1.98 -1.47 115.95 117.13 3ag1 h TRP 19 Ca -0.00 -0.65 -0.03 0.00 2.06 0.00 0.00 58.89 60.27 3ag1 h TRP 19 Cb 0.14 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.25 3ag1 h TRP 19 CO 0.00 1.61 0.10 -0.09 -3.56 0.00 0.00 178.44 176.50 3ag1 h ARG 20 N 0.13 0.57 -0.23 0.49 2.43 -1.78 -1.78 114.38 114.21 3ag1 h ARG 20 Ca -0.29 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 58.76 3ag1 h ARG 20 Cb 2.15 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.59 3ag1 h ARG 20 CO 0.24 0.52 0.07 1.25 -1.51 0.00 0.00 179.97 180.54 3ag1 h LEU 21 N 0.56 0.34 -0.59 3.80 5.85 -1.14 -1.24 115.31 122.89 3ag1 h LEU 21 Ca 0.13 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.69 3ag1 h LEU 21 Cb 0.21 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 3ag1 h LEU 21 CO -0.00 0.45 0.32 0.25 -0.34 0.00 0.00 178.44 179.12 3ag1 h LEU 22 N 0.20 0.49 -0.23 2.25 5.85 -0.99 0.17 115.31 123.06 3ag1 h LEU 22 Ca 0.07 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3ag1 h LEU 22 Cb 0.23 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3ag1 h LEU 22 CO -0.00 0.33 0.02 0.00 -0.34 0.00 0.00 178.44 178.45 3ag1 h ALA 23 N 1.30 0.22 -0.44 1.25 0.00 -1.05 -0.06 119.26 120.47 3ag1 h ALA 23 Ca 0.26 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3ag1 h ALA 23 Cb 0.13 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3ag1 h ALA 23 CO -0.16 -0.40 0.14 0.52 0.00 0.00 0.00 179.25 179.36 3ag1 h MET 24 N 0.10 0.69 -0.53 0.00 2.86 -0.08 -1.33 114.93 116.65 3ag1 h MET 24 Ca 0.11 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 3ag1 h MET 24 Cb 0.12 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3ag1 h MET 24 CO -0.16 0.66 0.06 0.52 1.06 0.00 0.00 176.91 179.05 3ag1 h MET 25 N 0.58 0.85 0.42 1.72 2.07 -0.54 0.19 114.93 120.22 3ag1 h MET 25 Ca 0.14 -0.21 -0.02 0.00 -2.07 0.00 0.00 59.70 57.55 3ag1 h MET 25 Cb 0.25 -0.11 0.00 0.00 -1.87 0.00 0.00 31.60 29.88 3ag1 h MET 25 CO -0.01 0.81 -0.20 1.15 1.07 0.00 0.00 176.91 179.73 3ag1 h THR 26 N 0.80 0.59 -0.23 2.22 2.02 -0.84 0.18 112.91 117.65 3ag1 h THR 26 Ca 0.16 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.24 3ag1 h THR 26 Cb 0.40 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 3ag1 h THR 26 CO 0.01 0.02 0.13 -0.07 0.37 0.00 0.00 175.52 175.99 3ag1 h LEU 27 N -0.63 0.21 0.05 2.58 3.38 -0.98 0.49 115.31 120.41 3ag1 h LEU 27 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ag1 h LEU 27 Cb 0.47 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3ag1 h LEU 27 CO 0.09 0.16 -0.09 0.15 0.09 0.00 0.00 178.44 178.84 3ag1 h PHE 28 N 0.28 -0.26 -0.23 1.13 3.57 -0.49 -0.57 116.94 120.36 3ag1 h PHE 28 Ca 0.09 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.47 3ag1 h PHE 28 Cb -0.00 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3ag1 h PHE 28 CO -0.08 -0.11 -0.37 0.74 -2.23 0.00 0.00 178.31 176.26 3ag1 h PHE 29 N -0.15 0.61 -0.63 0.41 -1.00 -0.65 -3.07 116.94 112.46 3ag1 h PHE 29 Ca -0.01 -0.16 -0.05 0.00 2.81 0.00 0.00 57.97 60.56 3ag1 h PHE 29 Cb 0.14 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 39.54 3ag1 h PHE 29 CO -0.23 0.82 0.18 0.78 -1.61 0.00 0.00 178.31 178.25 3ag1 h GLY 30 N 1.07 1.03 1.28 -1.45 0.00 -0.05 -1.57 103.07 103.38 3ag1 h GLY 30 Ca 0.04 -0.59 -0.13 0.00 0.00 0.00 0.00 47.33 46.65 3ag1 h GLY 30 CO 0.07 0.55 -0.30 1.48 0.00 0.00 0.00 176.54 178.34 3ag1 h SER 31 N 0.92 0.84 -0.28 0.19 4.64 -1.01 0.12 113.55 118.97 3ag1 h SER 31 Ca 0.20 -0.34 -0.03 0.00 -0.47 0.00 0.00 61.79 61.16 3ag1 h SER 31 Cb 0.28 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3ag1 h SER 31 CO -0.01 1.08 0.08 1.23 -0.87 0.00 0.00 176.83 178.34 3ag1 h GLY 32 N 0.92 0.48 1.42 -0.77 0.00 -1.43 -1.81 103.07 101.89 3ag1 h GLY 32 Ca 0.08 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 3ag1 h GLY 32 CO 0.07 0.27 -0.25 -2.75 0.00 0.00 0.00 176.54 173.89 3ag1 h PHE 33 N 0.29 0.76 -0.22 5.60 3.57 -1.20 -3.10 116.94 122.65 3ag1 h PHE 33 Ca 0.09 -0.17 -0.11 0.00 3.53 0.00 0.00 57.97 61.31 3ag1 h PHE 33 Cb 0.26 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3ag1 h PHE 33 CO 0.01 0.85 -0.32 0.00 -2.23 0.00 0.00 178.31 176.62 3ag1 h ALA 34 N 1.14 1.04 -0.68 2.41 0.00 -0.63 -3.38 119.26 119.17 3ag1 h ALA 34 Ca 0.08 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.67 3ag1 h ALA 34 Cb 0.73 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 3ag1 h ALA 34 CO 0.06 0.59 0.37 0.00 0.00 0.00 0.00 179.25 180.27 3ag1 h ALA 35 N 1.27 0.92 0.00 0.00 0.00 -1.24 -2.28 119.26 117.92 3ag1 h ALA 35 Ca 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3ag1 h ALA 35 Cb 0.76 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3ag1 h ALA 35 CO 0.06 0.04 -0.23 -1.35 0.00 0.00 0.00 179.25 177.77 3ag1 h PRO 36 N 0.68 0.00 -0.52 0.00 0.11 -1.77 -1.54 132.00 128.96 3ag1 h PRO 36 Ca 0.31 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.35 3ag1 h PRO 36 Cb 0.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 3ag1 h PRO 36 CO -0.20 0.23 0.04 0.74 -0.21 0.00 0.00 178.00 178.60 3ag1 h PHE 37 N 0.00 0.96 -0.01 0.65 -1.00 -1.66 -1.58 116.94 114.29 3ag1 h PHE 37 Ca -0.00 -0.15 -0.11 0.00 2.81 0.00 0.00 57.97 60.52 3ag1 h PHE 37 Cb 0.41 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 3ag1 h PHE 37 CO 0.00 0.87 -0.51 0.74 -1.61 0.00 0.00 178.31 177.80 3ag1 h PHE 38 N 0.76 0.04 -0.31 -0.55 -1.00 -1.24 -2.37 116.94 112.27 3ag1 h PHE 38 Ca 0.15 -0.01 -0.12 0.00 2.81 0.00 0.00 57.97 60.80 3ag1 h PHE 38 Cb 0.46 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.01 3ag1 h PHE 38 CO 0.03 0.54 -0.26 0.82 -1.61 0.00 0.00 178.31 177.83 3ag1 h ILE 39 N 0.03 1.30 0.19 -0.55 2.04 -1.08 0.35 117.51 119.78 3ag1 h ILE 39 Ca -0.00 -1.42 0.01 0.00 1.00 0.00 0.00 64.86 64.44 3ag1 h ILE 39 Cb 0.91 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 3ag1 h ILE 39 CO 0.07 0.46 -0.21 0.58 0.00 0.00 0.00 178.15 179.05 3ag1 h VAL 40 N 0.48 0.55 -0.51 1.67 2.07 -1.31 0.11 116.25 119.31 3ag1 h VAL 40 Ca 0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.63 3ag1 h VAL 40 Cb 0.83 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 31.06 3ag1 h VAL 40 CO 0.07 0.00 -0.53 -0.09 0.02 0.00 0.00 177.57 177.03 3ag1 h ARG 41 N -0.43 -0.28 -0.83 1.57 2.43 -1.35 0.20 114.38 115.68 3ag1 h ARG 41 Ca 0.01 0.02 0.21 0.00 -0.81 0.00 0.00 59.98 59.40 3ag1 h ARG 41 Cb 0.42 0.06 -0.14 0.00 -0.42 0.00 0.00 29.97 29.89 3ag1 h ARG 41 CO -0.06 -0.19 0.13 1.25 -1.51 0.00 0.00 179.97 179.59 3ag1 h HIS 42 N -0.29 0.17 -0.48 2.20 2.76 -0.09 -0.66 115.15 118.75 3ag1 h HIS 42 Ca 0.09 0.05 -0.11 0.00 -2.20 0.00 0.00 60.37 58.20 3ag1 h HIS 42 Cb 0.52 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.53 3ag1 h HIS 42 CO -0.79 -0.23 -0.14 1.96 -1.30 0.00 0.00 177.93 177.43 3ag1 h GLN 43 N 0.16 0.95 -0.61 5.26 1.08 0.79 -2.80 115.11 119.94 3ag1 h GLN 43 Ca 0.49 -0.38 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 3ag1 h GLN 43 Cb 0.94 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.29 3ag1 h GLN 43 CO -0.67 1.04 0.32 -0.07 -0.95 0.00 0.00 178.83 178.50 3ag1 h LEU 44 N 0.80 0.76 -0.75 1.46 3.38 0.74 -3.23 115.31 118.48 3ag1 h LEU 44 Ca 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ag1 h LEU 44 Cb 0.71 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3ag1 h LEU 44 CO 0.05 0.63 -0.10 0.18 0.09 0.00 0.00 178.44 179.29 3ag1 n LEU 45 N -4.37 1.26 0.05 1.67 4.77 -0.52 -3.93 117.00 115.93 3ag1 n LEU 45 Ca 0.06 -0.38 -0.21 0.00 -0.03 0.00 0.00 56.01 55.44 3ag1 n LEU 45 Cb 0.11 -0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 41.00 3ag1 n LEU 45 CO 0.38 0.22 -0.09 0.11 -1.33 0.00 0.00 177.39 176.68 3ag1 h LYS 46 N 1.82 0.31 0.00 3.23 1.57 -1.51 -3.51 116.57 118.48 3ag1 h LYS 46 Ca 0.00 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 3ag1 h LYS 46 Cb 0.49 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3ag1 h LYS 46 CO 0.00 1.26 0.00 1.17 -0.57 0.00 0.00 179.45 181.31