#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 n PRO 7 N 0.00 2.35 -0.37 0.00 -0.04 -1.26 -5.03 135.00 130.64 3ag4 n PRO 7 Ca 0.00 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 3ag4 n PRO 7 Cb 0.00 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 3ag4 n PRO 7 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3ag4 n ASP 8 N -0.00 0.00 -0.13 3.54 3.85 -1.26 -4.88 116.55 117.66 3ag4 n ASP 8 Ca 0.04 -0.40 -0.06 0.00 -0.71 0.00 0.00 54.79 53.67 3ag4 n ASP 8 Cb 0.41 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 40.21 3ag4 n ASP 8 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 3ag4 h PHE 9 N -0.02 0.35 -0.42 2.11 3.57 -1.99 -1.17 116.94 119.37 3ag4 h PHE 9 Ca 0.00 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 3ag4 h PHE 9 Cb 0.00 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3ag4 h PHE 9 CO 0.00 0.17 -0.30 0.45 -2.23 0.00 0.00 178.31 176.40 3ag4 h HIS 10 N 0.39 1.08 -0.08 0.41 3.86 -1.95 0.37 115.15 119.23 3ag4 h HIS 10 Ca 0.19 -0.29 0.01 0.00 -1.16 0.00 0.00 60.37 59.12 3ag4 h HIS 10 Cb 0.12 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 3ag4 h HIS 10 CO -0.12 1.10 0.02 -0.44 0.86 0.00 0.00 177.93 179.36 3ag4 h ASP 11 N 0.78 0.01 -0.19 2.45 3.32 -1.86 0.32 116.42 121.25 3ag4 h ASP 11 Ca 0.08 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 3ag4 h ASP 11 Cb 0.88 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3ag4 h ASP 11 CO 0.08 0.02 -0.47 0.11 -1.72 0.00 0.00 179.24 177.26 3ag4 h LYS 12 N 0.06 0.65 0.00 3.56 1.57 -0.92 -3.40 116.57 118.09 3ag4 h LYS 12 Ca 0.04 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3ag4 h LYS 12 Cb 0.03 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3ag4 h LYS 12 CO -0.05 1.07 -0.89 0.66 -0.57 0.00 0.00 179.45 179.67 3ag4 n TYR 13 N -4.19 0.00 -0.31 -1.35 4.01 0.13 -4.77 117.16 110.68 3ag4 n TYR 13 Ca -0.06 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.70 3ag4 n TYR 13 Cb 0.58 -0.04 0.08 0.00 -0.31 0.00 0.00 39.34 39.64 3ag4 n TYR 13 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ag4 n GLY 14 N 2.07 -1.57 0.09 2.72 0.00 0.11 -1.20 105.19 107.41 3ag4 n GLY 14 Ca -0.00 0.92 -0.11 0.00 0.00 0.00 0.00 46.02 46.83 3ag4 n GLY 14 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ag4 h ASN 15 N 0.00 0.16 -0.65 1.61 2.35 -1.86 -0.92 115.58 116.27 3ag4 h ASN 15 Ca 0.35 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3ag4 h ASN 15 Cb 0.57 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.86 3ag4 h ASN 15 CO -0.86 0.27 0.29 0.00 -1.65 0.00 0.00 177.43 175.49 3ag4 h ALA 16 N 0.90 0.84 -0.13 -0.83 0.00 -1.73 -2.14 119.26 116.18 3ag4 h ALA 16 Ca 0.04 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3ag4 h ALA 16 Cb 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3ag4 h ALA 16 CO -0.00 0.43 -0.01 0.28 0.00 0.00 0.00 179.25 179.95 3ag4 h VAL 17 N 0.91 0.90 0.22 0.00 2.07 -0.76 0.14 116.25 119.73 3ag4 h VAL 17 Ca 0.22 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.73 3ag4 h VAL 17 Cb 0.15 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3ag4 h VAL 17 CO -0.02 0.01 -0.14 0.25 0.02 0.00 0.00 177.57 177.68 3ag4 h LEU 18 N 0.03 -0.36 0.09 2.57 5.85 -1.07 0.30 115.31 122.73 3ag4 h LEU 18 Ca 0.06 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ag4 h LEU 18 Cb 0.08 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3ag4 h LEU 18 CO -0.11 -0.23 -0.04 0.00 -0.34 0.00 0.00 178.44 177.72 3ag4 h ALA 19 N 0.42 -0.12 0.00 1.25 0.00 -1.23 0.29 119.26 119.87 3ag4 h ALA 19 Ca -0.02 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3ag4 h ALA 19 Cb 0.30 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3ag4 h ALA 19 CO 0.01 -0.45 -0.51 0.66 0.00 0.00 0.00 179.25 178.96 3ag4 h SER 20 N -0.36 0.00 0.17 0.00 4.64 -0.70 -2.14 113.55 115.16 3ag4 h SER 20 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3ag4 h SER 20 Cb 0.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3ag4 h SER 20 CO 0.02 0.51 -0.09 1.23 -0.87 0.00 0.00 176.83 177.62 3ag4 h GLY 21 N 2.45 -0.25 0.94 -0.77 0.00 0.10 -0.33 103.07 105.21 3ag4 h GLY 21 Ca -0.01 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 3ag4 h GLY 21 CO 0.07 -0.10 0.15 0.00 0.00 0.00 0.00 176.54 176.65 3ag4 h ALA 22 N 0.58 0.51 0.07 3.60 0.00 -0.94 0.22 119.26 123.30 3ag4 h ALA 22 Ca -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3ag4 h ALA 22 Cb 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ag4 h ALA 22 CO 0.03 0.12 -0.03 1.15 0.00 0.00 0.00 179.25 180.52 3ag4 h THR 23 N 0.49 1.14 -0.23 0.00 2.02 -1.26 -1.66 112.91 113.40 3ag4 h THR 23 Ca 0.13 -0.73 0.05 0.00 0.77 0.00 0.00 66.41 66.64 3ag4 h THR 23 Cb 0.21 1.61 -0.06 0.00 -1.74 0.00 0.00 68.15 68.17 3ag4 h THR 23 CO -0.01 0.18 -0.13 0.15 0.37 0.00 0.00 175.52 176.08 3ag4 h PHE 24 N -0.42 -0.32 -0.33 3.16 3.57 -0.95 -1.84 116.94 119.80 3ag4 h PHE 24 Ca -0.01 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.58 3ag4 h PHE 24 Cb 0.37 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.23 3ag4 h PHE 24 CO 0.03 -0.20 -0.05 0.00 -2.23 0.00 0.00 178.31 175.87 3ag4 h VAL 26 N 0.04 1.26 -0.02 0.00 2.07 -1.23 -1.52 116.25 116.85 3ag4 h VAL 26 Ca 0.16 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 3ag4 h VAL 26 Cb 0.23 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3ag4 h VAL 26 CO -0.31 0.34 -0.01 0.00 0.02 0.00 0.00 177.57 177.61 3ag4 h ALA 27 N 1.13 0.02 -0.21 1.67 0.00 -0.41 -0.63 119.26 120.84 3ag4 h ALA 27 Ca 0.24 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3ag4 h ALA 27 Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ag4 h ALA 27 CO -0.01 -0.24 -0.33 -0.24 0.00 0.00 0.00 179.25 178.43 3ag4 h VAL 28 N -0.40 1.29 -0.18 0.00 3.04 -1.02 -1.16 116.25 117.81 3ag4 h VAL 28 Ca 0.00 -1.41 -0.14 0.00 -1.01 0.00 0.00 66.70 64.14 3ag4 h VAL 28 Cb 0.47 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 31.24 3ag4 h VAL 28 CO 0.00 0.44 -0.48 -0.50 -1.01 0.00 0.00 177.57 176.02 3ag4 h TRP 29 N 0.37 0.57 0.48 3.17 4.06 -1.06 0.19 115.95 123.73 3ag4 h TRP 29 Ca 0.04 -0.18 -0.02 0.00 2.06 0.00 0.00 58.89 60.79 3ag4 h TRP 29 Cb 0.77 -0.12 0.00 0.00 -1.00 0.00 0.00 29.16 28.82 3ag4 h TRP 29 CO 0.02 0.86 -0.23 0.28 -3.56 0.00 0.00 178.44 175.81 3ag4 h VAL 30 N 0.37 0.49 -0.53 1.49 2.07 -1.03 0.25 116.25 119.37 3ag4 h VAL 30 Ca 0.02 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 67.38 3ag4 h VAL 30 Cb 0.99 0.60 -0.11 0.00 -1.52 0.00 0.00 31.29 31.25 3ag4 h VAL 30 CO 0.09 0.04 -0.35 0.22 0.02 0.00 0.00 177.57 177.59 3ag4 h TYR 31 N -0.81 -0.99 -0.64 1.57 5.03 -1.08 0.35 116.97 120.40 3ag4 h TYR 31 Ca -0.07 0.07 0.11 0.00 2.58 0.00 0.00 58.73 61.42 3ag4 h TYR 31 Cb 0.57 0.51 -0.08 0.00 1.55 0.00 0.00 36.73 39.28 3ag4 h TYR 31 CO -0.01 -0.39 0.22 1.98 -1.32 0.00 0.00 178.16 178.64 3ag4 h MET 32 N -0.21 0.38 0.00 1.82 4.05 -0.43 0.14 114.93 120.69 3ag4 h MET 32 Ca 0.20 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.50 3ag4 h MET 32 Cb 0.55 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 3ag4 h MET 32 CO -0.64 0.25 -0.49 0.00 0.23 0.00 0.00 176.91 176.26 3ag4 h ALA 33 N 1.46 0.85 0.00 0.39 0.00 0.15 -3.38 119.26 118.73 3ag4 h ALA 33 Ca 0.33 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ag4 h ALA 33 Cb 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3ag4 h ALA 33 CO -0.35 0.62 -0.67 0.25 0.00 0.00 0.00 179.25 179.11 3ag4 n THR 34 N -3.47 0.00 0.27 0.00 -2.24 -0.38 -4.80 114.28 103.67 3ag4 n THR 34 Ca 0.00 -0.12 0.07 0.00 -2.27 0.00 0.00 64.05 61.73 3ag4 n THR 34 Cb 0.62 0.60 0.12 0.00 -2.10 0.00 0.00 70.33 69.57 3ag4 n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ag4 n GLN 35 N -1.24 1.76 -0.04 -0.78 1.13 0.47 -4.67 117.38 114.00 3ag4 n GLN 35 Ca 0.00 -1.71 0.01 0.00 -1.94 0.00 0.00 57.00 53.36 3ag4 n GLN 35 Cb 0.00 -1.31 0.02 0.00 0.11 0.00 0.00 30.24 29.06 3ag4 n GLN 35 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3ag4 n ILE 36 N 0.83 0.85 -1.03 5.09 -5.35 -1.26 -4.99 119.36 113.50 3ag4 n ILE 36 Ca 0.11 -0.90 -0.01 0.00 -0.27 0.00 0.00 62.75 61.68 3ag4 n ILE 36 Cb 0.41 0.51 -0.00 0.00 -1.74 0.00 0.00 39.64 38.81 3ag4 n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ag4 n GLY 37 N -0.49 0.49 3.69 3.28 0.00 -1.26 -5.01 105.19 105.89 3ag4 n GLY 37 Ca 0.02 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.22 3ag4 n GLY 37 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ag4 n ILE 38 N -2.90 0.14 -3.13 -0.61 5.41 -1.26 -4.93 119.36 112.08 3ag4 n ILE 38 Ca -0.01 -0.02 -0.44 0.00 1.00 0.00 0.00 62.75 63.27 3ag4 n ILE 38 Cb 0.07 -1.87 -0.05 0.00 -0.71 0.00 0.00 39.64 37.07 3ag4 n ILE 38 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3ag4 s GLU 39 N 1.71 3.07 0.49 0.38 2.56 -1.26 -4.93 118.70 120.73 3ag4 s GLU 39 Ca 0.79 -1.15 0.28 0.00 0.00 0.00 0.00 54.97 54.89 3ag4 s GLU 39 Cb -0.57 -4.20 1.08 0.00 2.00 0.00 0.00 34.13 32.44 3ag4 s GLU 39 CO 0.37 -1.42 1.88 -1.49 -0.56 0.00 0.00 175.26 174.04 3ag4 h TRP 40 N 9.11 0.00 -6.32 5.30 4.06 -1.95 -3.48 115.95 122.68 3ag4 h TRP 40 Ca -0.29 0.00 -0.43 0.00 2.06 0.00 0.00 58.89 60.23 3ag4 h TRP 40 Cb 1.09 0.00 0.06 0.00 -1.00 0.00 0.00 29.16 29.31 3ag4 h TRP 40 CO 0.80 0.12 -0.91 -1.71 -3.56 0.00 0.00 178.44 173.18 3ag4 n ASN 41 N -3.25 -5.29 -4.58 -3.49 5.15 -1.26 -5.00 115.26 97.54 3ag4 n ASN 41 Ca 0.01 -1.00 -0.29 0.00 -0.60 0.00 0.00 54.58 52.69 3ag4 n ASN 41 Cb 0.38 -3.12 0.14 0.00 -0.53 0.00 0.00 39.78 36.66 3ag4 n ASN 41 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3ag4 s PRO 42 N -5.92 1.07 0.28 1.20 0.04 -1.26 -4.97 135.00 125.44 3ag4 s PRO 42 Ca 0.42 0.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.20 3ag4 s PRO 42 Cb -0.16 -1.85 -0.13 0.00 0.04 0.00 0.00 34.50 32.39 3ag4 s PRO 42 CO 0.87 -2.20 1.24 0.45 0.04 0.00 0.00 177.00 177.40 3ag4 n SER 43 N -3.72 2.26 -0.26 6.66 2.88 -1.26 -4.88 113.62 115.30 3ag4 n SER 43 Ca 0.10 1.18 0.15 0.00 -1.33 0.00 0.00 58.87 58.96 3ag4 n SER 43 Cb 0.60 -1.40 0.66 0.00 -0.75 0.00 0.00 64.21 63.32 3ag4 n SER 43 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3ag4 n PRO 44 N 1.12 1.25 -1.57 -1.46 -0.04 -1.26 -4.60 135.00 128.44 3ag4 n PRO 44 Ca 0.09 -0.52 -0.47 0.00 -0.04 0.00 0.00 63.50 62.56 3ag4 n PRO 44 Cb 0.33 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.25 3ag4 n PRO 44 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ag4 n VAL 45 N -0.42 0.37 -0.94 0.52 0.31 -1.26 -0.86 118.33 116.05 3ag4 n VAL 45 Ca 0.19 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3ag4 n VAL 45 Cb 0.27 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 3ag4 n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ag4 n GLY 46 N 5.67 0.34 0.03 2.92 0.00 -1.26 -4.80 105.19 108.09 3ag4 n GLY 46 Ca 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.30 3ag4 n GLY 46 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3ag4 n ARG 47 N -1.39 2.05 -3.74 1.61 1.85 -0.18 -5.06 116.66 111.80 3ag4 n ARG 47 Ca 0.00 0.01 -0.37 0.00 -1.00 0.00 0.00 57.85 56.50 3ag4 n ARG 47 Cb 0.17 -1.14 -0.07 0.00 -1.05 0.00 0.00 32.46 30.37 3ag4 n ARG 47 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3ag4 s VAL 48 N -2.13 5.39 -0.37 8.89 1.01 -0.04 -5.06 120.40 128.08 3ag4 s VAL 48 Ca -0.05 0.33 -0.20 0.00 0.00 0.00 0.00 61.98 62.06 3ag4 s VAL 48 Cb 0.02 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.91 3ag4 s VAL 48 CO 0.20 0.53 0.61 -0.89 0.00 0.00 0.00 175.10 175.56 3ag4 s THR 49 N -0.45 4.90 0.34 3.92 2.01 -1.26 -4.91 115.64 120.20 3ag4 s THR 49 Ca 0.14 0.42 -0.29 0.00 0.31 0.00 0.00 61.69 62.28 3ag4 s THR 49 Cb -0.12 -4.08 -0.11 0.00 0.01 0.00 0.00 72.50 68.19 3ag4 s THR 49 CO 0.04 -0.36 1.43 -2.84 -0.69 0.00 0.00 174.62 172.19 3ag4 s PRO 50 N 2.67 4.22 0.03 4.92 0.02 -1.26 -5.01 135.00 140.59 3ag4 s PRO 50 Ca 0.23 2.42 0.08 0.00 0.02 0.00 0.00 61.00 63.74 3ag4 s PRO 50 Cb -0.15 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.33 3ag4 s PRO 50 CO 0.15 -0.40 -0.23 0.21 -0.33 0.00 0.00 177.00 176.40 3ag4 s LYS 51 N -1.68 1.65 0.20 5.54 2.20 -1.26 -5.10 119.74 121.29 3ag4 s LYS 51 Ca 0.53 -0.98 -0.33 0.00 -0.36 0.00 0.00 55.97 54.83 3ag4 s LYS 51 Cb -0.44 -1.75 -0.14 0.00 -1.51 0.00 0.00 37.83 34.00 3ag4 s LYS 51 CO 0.56 0.46 1.49 0.39 -0.36 0.00 0.00 175.35 177.88 3ag4 n GLU 52 N 1.96 2.08 0.00 4.03 -0.58 -1.26 -4.91 120.64 121.96 3ag4 n GLU 52 Ca -0.17 0.74 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 3ag4 n GLU 52 Cb 0.52 -2.45 0.00 0.00 -0.57 0.00 0.00 31.44 28.94 3ag4 n GLU 52 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 3ag4 n TRP 53 N 2.61 0.00 1.73 -0.32 4.27 -1.26 -5.33 117.44 119.14 3ag4 n TRP 53 Ca 0.14 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.90 3ag4 n TRP 53 Cb 0.30 0.00 0.72 0.00 -1.36 0.00 0.00 31.31 30.97 3ag4 n TRP 53 CO 0.00 0.00 0.00 2.89 -2.29 0.00 0.00 177.69 178.29