#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag3 n PRO 7 N 0.00 0.27 -1.16 0.00 -0.04 -1.26 -5.01 135.00 127.79 3ag3 n PRO 7 Ca 0.00 0.10 -0.10 0.00 -0.04 0.00 0.00 63.50 63.46 3ag3 n PRO 7 Cb 0.00 -1.64 0.06 0.00 -0.04 0.00 0.00 33.50 31.88 3ag3 n PRO 7 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3ag3 n ASP 8 N 3.89 0.36 -0.33 3.54 3.85 -1.26 -4.87 116.55 121.72 3ag3 n ASP 8 Ca 0.28 -1.36 0.11 0.00 -0.71 0.00 0.00 54.79 53.11 3ag3 n ASP 8 Cb 0.00 -0.32 0.28 0.00 -1.35 0.00 0.00 41.12 39.74 3ag3 n ASP 8 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 3ag3 h PHE 9 N -0.79 0.96 -0.11 2.11 3.57 -1.99 -2.02 116.94 118.68 3ag3 h PHE 9 Ca -0.15 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.20 3ag3 h PHE 9 Cb 0.49 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 3ag3 h PHE 9 CO 0.00 0.22 -0.71 0.45 -2.23 0.00 0.00 178.31 176.04 3ag3 h HIS 10 N 0.72 0.68 -0.62 0.41 3.86 -1.95 0.16 115.15 118.41 3ag3 h HIS 10 Ca 0.54 -0.29 -0.08 0.00 -1.16 0.00 0.00 60.37 59.38 3ag3 h HIS 10 Cb 0.80 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.14 3ag3 h HIS 10 CO -0.04 1.06 0.08 -0.44 0.86 0.00 0.00 177.93 179.45 3ag3 h ASP 11 N 0.35 0.99 0.12 2.45 3.32 -1.84 -0.98 116.42 120.84 3ag3 h ASP 11 Ca -0.03 -0.24 -0.23 0.00 0.02 0.00 0.00 57.03 56.55 3ag3 h ASP 11 Cb 1.29 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 40.59 3ag3 h ASP 11 CO 0.13 1.00 -1.14 0.11 -1.72 0.00 0.00 179.24 177.62 3ag3 h LYS 12 N 0.97 0.26 -0.01 3.56 1.57 -1.23 -3.41 116.57 118.28 3ag3 h LYS 12 Ca 0.19 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3ag3 h LYS 12 Cb 0.45 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3ag3 h LYS 12 CO 0.02 1.21 -0.34 0.66 -0.57 0.00 0.00 179.45 180.43 3ag3 n TYR 13 N -4.03 0.00 -0.00 -1.35 4.01 0.55 -4.78 117.16 111.56 3ag3 n TYR 13 Ca -0.20 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.42 3ag3 n TYR 13 Cb 0.86 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.83 3ag3 n TYR 13 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3ag3 h GLY 14 N 2.77 0.12 1.23 2.72 0.00 -1.29 0.27 103.07 108.89 3ag3 h GLY 14 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 3ag3 h GLY 14 CO 0.00 0.05 0.31 3.43 0.00 0.00 0.00 176.54 180.33 3ag3 h ASN 15 N 0.07 0.90 -0.52 0.19 2.35 -1.86 -0.63 115.58 116.08 3ag3 h ASN 15 Ca 0.03 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 3ag3 h ASN 15 Cb 0.04 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3ag3 h ASN 15 CO -0.01 0.78 0.13 0.00 -1.65 0.00 0.00 177.43 176.69 3ag3 h ALA 16 N 1.35 0.69 -0.36 -0.83 0.00 -1.81 -1.48 119.26 116.83 3ag3 h ALA 16 Ca 0.24 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3ag3 h ALA 16 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3ag3 h ALA 16 CO -0.03 0.39 -0.19 0.28 0.00 0.00 0.00 179.25 179.70 3ag3 h VAL 17 N 0.73 1.29 0.07 0.00 2.07 -0.54 0.14 116.25 120.00 3ag3 h VAL 17 Ca 0.16 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 3ag3 h VAL 17 Cb 0.34 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3ag3 h VAL 17 CO 0.00 0.43 -0.03 0.25 0.02 0.00 0.00 177.57 178.24 3ag3 h LEU 18 N 0.54 -0.08 -0.07 2.57 5.85 -1.10 -0.52 115.31 122.50 3ag3 h LEU 18 Ca 0.08 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3ag3 h LEU 18 Cb 0.73 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 3ag3 h LEU 18 CO 0.05 -0.05 -0.03 0.00 -0.34 0.00 0.00 178.44 178.07 3ag3 h ALA 19 N 0.84 0.10 -0.13 1.25 0.00 -1.07 -0.84 119.26 119.42 3ag3 h ALA 19 Ca -0.01 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 3ag3 h ALA 19 Cb 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ag3 h ALA 19 CO 0.02 -0.16 -0.60 0.77 0.00 0.00 0.00 179.25 179.27 3ag3 h SER 20 N -0.22 0.50 -0.30 0.00 0.02 -1.01 -1.95 113.55 110.59 3ag3 h SER 20 Ca 0.02 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 3ag3 h SER 20 Cb 0.45 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3ag3 h SER 20 CO 0.01 0.98 0.08 1.23 -1.14 0.00 0.00 176.83 177.98 3ag3 h GLY 21 N 1.21 0.51 0.86 -3.77 0.00 -0.94 0.69 103.07 101.63 3ag3 h GLY 21 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3ag3 h GLY 21 CO 0.11 0.30 0.06 0.00 0.00 0.00 0.00 176.54 177.00 3ag3 h ALA 22 N 0.91 0.25 -0.59 3.60 0.00 -1.15 0.21 119.26 122.48 3ag3 h ALA 22 Ca 0.09 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.95 3ag3 h ALA 22 Cb 0.28 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 3ag3 h ALA 22 CO 0.00 -0.13 0.24 1.15 0.00 0.00 0.00 179.25 180.51 3ag3 h THR 23 N 0.13 0.81 -0.28 0.00 2.02 -1.29 -1.66 112.91 112.64 3ag3 h THR 23 Ca 0.06 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 3ag3 h THR 23 Cb 0.23 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3ag3 h THR 23 CO -0.00 0.08 -0.09 0.15 0.37 0.00 0.00 175.52 176.03 3ag3 h PHE 24 N 0.44 0.63 0.16 3.16 3.57 -0.61 -1.80 116.94 122.50 3ag3 h PHE 24 Ca 0.29 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3ag3 h PHE 24 Cb 0.32 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.91 3ag3 h PHE 24 CO -0.15 0.77 -0.08 0.00 -2.23 0.00 0.00 178.31 176.63 3ag3 h VAL 26 N -0.22 0.97 -0.30 0.00 2.07 -1.30 -2.15 116.25 115.32 3ag3 h VAL 26 Ca -0.02 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3ag3 h VAL 26 Cb 0.17 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3ag3 h VAL 26 CO 0.04 0.13 0.05 0.00 0.02 0.00 0.00 177.57 177.81 3ag3 h ALA 27 N 1.37 0.40 0.00 1.67 0.00 -0.78 -0.11 119.26 121.80 3ag3 h ALA 27 Ca 0.32 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 3ag3 h ALA 27 Cb 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3ag3 h ALA 27 CO -0.19 0.09 -0.82 -0.24 0.00 0.00 0.00 179.25 178.09 3ag3 h VAL 28 N 0.32 1.53 -0.07 0.00 3.04 -1.02 -1.33 116.25 118.71 3ag3 h VAL 28 Ca 0.09 -2.87 -0.25 0.00 -1.01 0.00 0.00 66.70 62.66 3ag3 h VAL 28 Cb 0.34 2.58 0.02 0.00 -2.01 0.00 0.00 31.29 32.21 3ag3 h VAL 28 CO 0.01 0.80 -0.93 -0.50 -1.01 0.00 0.00 177.57 175.94 3ag3 h TRP 29 N 0.00 1.07 -0.40 3.17 4.06 -1.27 0.12 115.95 122.70 3ag3 h TRP 29 Ca -0.01 -0.53 -0.00 0.00 2.06 0.00 0.00 58.89 60.41 3ag3 h TRP 29 Cb 1.51 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 29.51 3ag3 h TRP 29 CO 0.00 1.37 0.23 0.28 -3.56 0.00 0.00 178.44 176.76 3ag3 h VAL 30 N 0.47 1.13 0.19 1.49 2.07 -0.92 0.87 116.25 121.55 3ag3 h VAL 30 Ca -0.10 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3ag3 h VAL 30 Cb 1.57 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3ag3 h VAL 30 CO 0.19 0.14 -0.09 0.22 0.02 0.00 0.00 177.57 178.04 3ag3 h TYR 31 N 0.52 -0.24 -0.94 1.57 5.03 -1.07 -2.01 116.97 119.83 3ag3 h TYR 31 Ca 0.14 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.57 3ag3 h TYR 31 Cb 0.02 0.08 -0.08 0.00 1.55 0.00 0.00 36.73 38.29 3ag3 h TYR 31 CO -0.03 -0.12 0.57 1.98 -1.32 0.00 0.00 178.16 179.24 3ag3 h MET 32 N -0.30 0.87 0.00 1.82 4.05 -0.56 0.61 114.93 121.42 3ag3 h MET 32 Ca -0.03 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.29 3ag3 h MET 32 Cb 0.23 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 3ag3 h MET 32 CO 0.04 0.57 -0.23 0.00 0.23 0.00 0.00 176.91 177.53 3ag3 h ALA 33 N 1.53 0.92 0.00 0.39 0.00 -0.40 -3.38 119.26 118.31 3ag3 h ALA 33 Ca 0.47 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3ag3 h ALA 33 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ag3 h ALA 33 CO -0.28 0.28 -0.22 0.25 0.00 0.00 0.00 179.25 179.28 3ag3 n THR 34 N -3.25 0.00 -0.05 0.00 -2.24 -0.80 -4.76 114.28 103.19 3ag3 n THR 34 Ca 0.02 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3ag3 n THR 34 Cb 0.52 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 3ag3 n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ag3 n GLN 35 N -0.89 -0.46 0.00 -0.78 1.13 0.15 -4.71 117.38 111.82 3ag3 n GLN 35 Ca 0.00 -0.60 0.00 0.00 -1.94 0.00 0.00 57.00 54.46 3ag3 n GLN 35 Cb 0.00 -0.98 0.00 0.00 0.11 0.00 0.00 30.24 29.37 3ag3 n GLN 35 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3ag3 n ILE 36 N -0.06 0.86 -0.33 5.09 -5.35 -1.26 -4.99 119.36 113.32 3ag3 n ILE 36 Ca 0.00 -0.86 0.00 0.00 -0.27 0.00 0.00 62.75 61.62 3ag3 n ILE 36 Cb 0.04 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.52 3ag3 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ag3 n GLY 37 N -0.43 0.81 3.75 3.28 0.00 -1.26 -5.04 105.19 106.30 3ag3 n GLY 37 Ca 0.00 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 3ag3 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ag3 s ILE 38 N -2.00 3.23 -0.41 -0.61 1.01 -1.26 -4.97 121.20 116.19 3ag3 s ILE 38 Ca 0.00 1.08 -0.13 0.00 0.00 0.00 0.00 60.65 61.60 3ag3 s ILE 38 Cb 0.00 -3.69 0.04 0.00 0.01 0.00 0.00 42.46 38.82 3ag3 s ILE 38 CO 0.00 0.19 0.29 -0.70 0.00 0.00 0.00 174.94 174.72 3ag3 s GLU 39 N -0.62 2.89 0.33 2.79 2.56 -1.26 -4.93 118.70 120.46 3ag3 s GLU 39 Ca 0.53 -1.14 0.17 0.00 0.00 0.00 0.00 54.97 54.53 3ag3 s GLU 39 Cb -0.36 -3.92 0.16 0.00 2.00 0.00 0.00 34.13 32.02 3ag3 s GLU 39 CO 0.41 -0.81 1.50 -1.49 -0.56 0.00 0.00 175.26 174.31 3ag3 h TRP 40 N 8.57 0.00 -4.88 5.30 4.06 -1.95 -3.48 115.95 123.58 3ag3 h TRP 40 Ca -0.26 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.47 3ag3 h TRP 40 Cb 1.11 0.00 0.15 0.00 -1.00 0.00 0.00 29.16 29.42 3ag3 h TRP 40 CO 0.58 0.36 -0.64 -1.71 -3.56 0.00 0.00 178.44 173.47 3ag3 n ASN 41 N -3.20 -4.31 -3.91 -3.49 5.15 -1.26 -4.98 115.26 99.26 3ag3 n ASN 41 Ca 0.02 -0.53 -0.30 0.00 -0.60 0.00 0.00 54.58 53.18 3ag3 n ASN 41 Cb 0.67 -4.14 0.22 0.00 -0.53 0.00 0.00 39.78 36.00 3ag3 n ASN 41 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3ag3 s PRO 42 N -4.44 -0.10 0.36 1.20 0.04 -1.26 -4.96 135.00 125.84 3ag3 s PRO 42 Ca 0.23 -0.41 -0.28 0.00 0.04 0.00 0.00 61.00 60.57 3ag3 s PRO 42 Cb -0.03 -1.76 -0.11 0.00 0.04 0.00 0.00 34.50 32.64 3ag3 s PRO 42 CO 0.57 -2.91 1.50 0.45 0.04 0.00 0.00 177.00 176.66 3ag3 s SER 43 N -4.69 6.36 0.52 6.66 0.15 -1.26 -4.89 113.70 116.55 3ag3 s SER 43 Ca 0.75 3.02 0.30 0.00 0.70 0.00 0.00 55.95 60.72 3ag3 s SER 43 Cb -0.04 -2.66 1.31 0.00 -1.71 0.00 0.00 66.02 62.92 3ag3 s SER 43 CO 0.54 -0.87 1.98 -0.65 1.20 0.00 0.00 173.24 175.43 3ag3 h PRO 44 N 3.39 0.00 -6.27 5.44 0.11 -1.97 -3.43 132.00 129.28 3ag3 h PRO 44 Ca -0.50 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 64.99 3ag3 h PRO 44 Cb 1.23 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.36 3ag3 h PRO 44 CO 0.67 0.10 1.11 0.28 -0.21 0.00 0.00 178.00 179.95 3ag3 n VAL 45 N -3.28 0.58 -0.99 3.15 0.31 -1.26 -0.67 118.33 116.16 3ag3 n VAL 45 Ca -0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3ag3 n VAL 45 Cb 0.32 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 3ag3 n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ag3 n GLY 46 N 4.45 0.95 0.00 2.92 0.00 -1.26 -4.74 105.19 107.50 3ag3 n GLY 46 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3ag3 n GLY 46 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3ag3 n ARG 47 N -2.06 2.58 -4.26 1.61 1.85 0.15 -5.06 116.66 111.47 3ag3 n ARG 47 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.51 3ag3 n ARG 47 Cb 0.00 -0.84 -0.10 0.00 -1.05 0.00 0.00 32.46 30.47 3ag3 n ARG 47 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3ag3 s VAL 48 N -1.67 4.33 -0.35 8.89 1.01 0.07 -5.07 120.40 127.61 3ag3 s VAL 48 Ca 0.00 -0.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.55 3ag3 s VAL 48 Cb 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.49 3ag3 s VAL 48 CO 0.00 0.52 0.71 -0.89 0.00 0.00 0.00 175.10 175.44 3ag3 s THR 49 N -0.01 4.82 0.56 3.92 2.01 -1.26 -4.92 115.64 120.76 3ag3 s THR 49 Ca 0.03 0.81 -0.21 0.00 0.31 0.00 0.00 61.69 62.63 3ag3 s THR 49 Cb -0.13 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 3ag3 s THR 49 CO 0.02 -0.34 1.31 -2.84 -0.69 0.00 0.00 174.62 172.08 3ag3 s PRO 50 N 2.89 3.10 0.01 4.92 0.02 -1.26 -5.02 135.00 139.66 3ag3 s PRO 50 Ca 0.28 2.11 0.03 0.00 0.02 0.00 0.00 61.00 63.44 3ag3 s PRO 50 Cb -0.14 -2.17 -0.01 0.00 0.02 0.00 0.00 34.50 32.20 3ag3 s PRO 50 CO 0.15 -1.18 -0.08 0.21 -0.33 0.00 0.00 177.00 175.77 3ag3 s LYS 51 N -3.00 0.62 0.12 5.54 2.20 -1.26 -5.11 119.74 118.84 3ag3 s LYS 51 Ca 0.73 -0.41 -0.34 0.00 -0.36 0.00 0.00 55.97 55.59 3ag3 s LYS 51 Cb -0.38 -0.56 -0.18 0.00 -1.51 0.00 0.00 37.83 35.20 3ag3 s LYS 51 CO 0.43 0.15 0.96 0.39 -0.36 0.00 0.00 175.35 176.92 3ag3 n GLU 52 N 2.53 0.43 0.00 4.03 -0.58 -1.26 -4.90 120.64 120.88 3ag3 n GLU 52 Ca -0.15 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3ag3 n GLU 52 Cb 0.57 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 3ag3 n GLU 52 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 3ag3 n TRP 53 N 1.11 0.00 0.98 -0.32 4.27 -1.26 -5.33 117.44 116.89 3ag3 n TRP 53 Ca 0.18 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.86 3ag3 n TRP 53 Cb 0.19 0.00 0.46 0.00 -1.36 0.00 0.00 31.31 30.60 3ag3 n TRP 53 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27