#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ag4 s PRO 7 N 0.00 4.22 0.05 0.00 0.02 -1.26 -5.02 135.00 133.02 3ag4 s PRO 7 Ca 0.00 2.36 -0.00 0.00 0.02 0.00 0.00 61.00 63.38 3ag4 s PRO 7 Cb 0.00 -3.14 0.01 0.00 0.02 0.00 0.00 34.50 31.39 3ag4 s PRO 7 CO 0.00 -0.57 0.07 -0.40 -0.33 0.00 0.00 177.00 175.77 3ag4 n ASP 8 N 3.50 0.08 -0.30 2.53 3.85 -1.26 -4.85 116.55 120.09 3ag4 n ASP 8 Ca 0.12 -1.07 0.10 0.00 -0.71 0.00 0.00 54.79 53.23 3ag4 n ASP 8 Cb 0.39 -0.05 0.27 0.00 -1.35 0.00 0.00 41.12 40.38 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 -0.47 0.73 -0.20 2.11 3.57 -1.99 -1.99 116.94 118.70 3ag4 h PHE 9 Ca -0.02 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 3ag4 h PHE 9 Cb 0.08 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.64 3ag4 h PHE 9 CO 0.00 0.08 -0.35 0.45 -2.23 0.00 0.00 178.31 176.26 3ag4 h HIS 10 N 0.53 0.72 -0.55 0.41 3.86 -1.95 0.23 115.15 118.40 3ag4 h HIS 10 Ca 0.51 -0.25 0.06 0.00 -1.16 0.00 0.00 60.37 59.52 3ag4 h HIS 10 Cb 0.85 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 29.13 3ag4 h HIS 10 CO -0.11 0.99 0.27 -0.44 0.86 0.00 0.00 177.93 179.50 3ag4 h ASP 11 N 0.25 0.37 0.35 2.45 3.32 -1.88 0.18 116.42 121.46 3ag4 h ASP 11 Ca 0.01 0.04 -0.30 0.00 0.02 0.00 0.00 57.03 56.80 3ag4 h ASP 11 Cb 0.94 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 40.48 3ag4 h ASP 11 CO 0.08 0.25 -1.32 0.11 -1.72 0.00 0.00 179.24 176.64 3ag4 h LYS 12 N 0.51 0.47 0.00 3.56 1.57 -1.24 -3.41 116.57 118.03 3ag4 h LYS 12 Ca 0.25 -0.74 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3ag4 h LYS 12 Cb 0.19 0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3ag4 h LYS 12 CO -0.19 1.34 -0.94 0.66 -0.57 0.00 0.00 179.45 179.75 3ag4 n TYR 13 N -3.68 0.00 -0.11 -1.35 4.01 0.81 -4.78 117.16 112.05 3ag4 n TYR 13 Ca -0.13 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.58 3ag4 n TYR 13 Cb 1.04 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 40.00 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 2.17 -0.73 0.23 2.72 0.00 0.61 -0.57 105.19 109.62 3ag4 n GLY 14 Ca -0.00 0.33 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 0.73 -0.03 1.61 2.35 -1.86 -1.21 115.58 117.16 3ag4 h ASN 15 Ca 0.04 -0.37 -0.24 0.00 -0.55 0.00 0.00 56.30 55.19 3ag4 h ASN 15 Cb 0.11 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.29 3ag4 h ASN 15 CO -0.26 1.10 -0.90 0.00 -1.65 0.00 0.00 177.43 175.72 3ag4 h ALA 16 N 0.93 0.25 -0.15 -0.83 0.00 -1.72 -0.56 119.26 117.18 3ag4 h ALA 16 Ca 0.02 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 3ag4 h ALA 16 Cb 1.05 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3ag4 h ALA 16 CO 0.10 0.70 0.08 0.28 0.00 0.00 0.00 179.25 180.41 3ag4 h VAL 17 N 0.45 1.10 0.29 0.00 2.07 -0.59 -0.39 116.25 119.19 3ag4 h VAL 17 Ca -0.09 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 3ag4 h VAL 17 Cb 1.53 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 3ag4 h VAL 17 CO 0.18 0.10 -0.27 0.25 0.02 0.00 0.00 177.57 177.85 3ag4 h LEU 18 N 0.14 -0.71 0.03 2.57 5.85 -1.13 -1.12 115.31 120.94 3ag4 h LEU 18 Ca 0.05 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.85 3ag4 h LEU 18 Cb 0.08 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3ag4 h LEU 18 CO -0.01 -0.39 -0.08 0.00 -0.34 0.00 0.00 178.44 177.62 3ag4 h ALA 19 N 0.03 -0.11 0.00 1.25 0.00 -1.05 -0.65 119.26 118.73 3ag4 h ALA 19 Ca -0.01 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3ag4 h ALA 19 Cb 0.53 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3ag4 h ALA 19 CO -0.04 -0.58 -0.57 0.66 0.00 0.00 0.00 179.25 178.72 3ag4 h SER 20 N -0.15 0.00 0.33 0.00 4.64 -1.09 -1.74 113.55 115.54 3ag4 h SER 20 Ca 0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3ag4 h SER 20 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3ag4 h SER 20 CO -0.06 0.57 -0.27 1.23 -0.87 0.00 0.00 176.83 177.43 3ag4 h GLY 21 N 3.16 -0.64 0.92 -0.77 0.00 -1.11 0.15 103.07 104.78 3ag4 h GLY 21 Ca -0.01 0.30 0.02 0.00 0.00 0.00 0.00 47.33 47.64 3ag4 h GLY 21 CO 0.07 -0.25 0.24 0.00 0.00 0.00 0.00 176.54 176.61 3ag4 h ALA 22 N -0.02 0.51 0.05 3.60 0.00 -1.11 -1.15 119.26 121.15 3ag4 h ALA 22 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ag4 h ALA 22 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3ag4 h ALA 22 CO -0.02 -0.09 -0.03 1.15 0.00 0.00 0.00 179.25 180.27 3ag4 h THR 23 N 0.49 1.00 -0.30 0.00 2.02 -1.09 -1.96 112.91 113.07 3ag4 h THR 23 Ca 0.16 -0.17 0.04 0.00 0.77 0.00 0.00 66.41 67.21 3ag4 h THR 23 Cb -0.00 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 3ag4 h THR 23 CO -0.07 0.04 0.07 0.15 0.37 0.00 0.00 175.52 176.09 3ag4 h PHE 24 N -0.15 0.13 0.07 3.16 3.57 -0.69 -0.73 116.94 122.30 3ag4 h PHE 24 Ca -0.01 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 3ag4 h PHE 24 Cb 0.12 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3ag4 h PHE 24 CO -0.05 0.04 -0.03 0.00 -2.23 0.00 0.00 178.31 176.04 3ag4 h VAL 26 N -0.25 1.22 -0.19 0.00 2.07 -1.36 -1.85 116.25 115.89 3ag4 h VAL 26 Ca -0.01 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 3ag4 h VAL 26 Cb 0.22 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 3ag4 h VAL 26 CO 0.02 0.21 -0.00 0.00 0.02 0.00 0.00 177.57 177.82 3ag4 h ALA 27 N 1.30 0.25 -0.20 1.67 0.00 -0.53 -0.77 119.26 120.99 3ag4 h ALA 27 Ca 0.30 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3ag4 h ALA 27 Cb -0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ag4 h ALA 27 CO -0.06 -0.03 -0.45 -0.24 0.00 0.00 0.00 179.25 178.46 3ag4 h VAL 28 N 0.08 1.31 -0.13 0.00 3.04 -1.11 -0.77 116.25 118.68 3ag4 h VAL 28 Ca 0.05 -1.64 -0.23 0.00 -1.01 0.00 0.00 66.70 63.88 3ag4 h VAL 28 Cb 0.39 1.65 0.01 0.00 -2.01 0.00 0.00 31.29 31.33 3ag4 h VAL 28 CO 0.01 0.51 -0.81 -0.50 -1.01 0.00 0.00 177.57 175.77 3ag4 h TRP 29 N 0.39 1.04 -0.55 3.17 4.06 -1.20 -0.87 115.95 122.00 3ag4 h TRP 29 Ca 0.03 -0.47 0.04 0.00 2.06 0.00 0.00 58.89 60.55 3ag4 h TRP 29 Cb 0.94 -0.15 -0.04 0.00 -1.00 0.00 0.00 29.16 28.90 3ag4 h TRP 29 CO 0.03 1.30 0.30 0.28 -3.56 0.00 0.00 178.44 176.79 3ag4 h VAL 30 N 0.51 0.99 0.09 1.49 2.07 -1.07 -0.46 116.25 119.87 3ag4 h VAL 30 Ca -0.06 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3ag4 h VAL 30 Cb 1.44 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3ag4 h VAL 30 CO 0.16 0.11 -0.04 0.22 0.02 0.00 0.00 177.57 178.04 3ag4 h TYR 31 N 0.58 -0.11 -1.00 1.57 5.03 -0.95 -2.26 116.97 119.82 3ag4 h TYR 31 Ca 0.24 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.63 3ag4 h TYR 31 Cb 0.11 0.04 -0.07 0.00 1.55 0.00 0.00 36.73 38.36 3ag4 h TYR 31 CO -0.09 0.03 0.64 1.98 -1.32 0.00 0.00 178.16 179.40 3ag4 h MET 32 N -0.23 1.08 0.00 1.82 4.05 -1.09 0.10 114.93 120.66 3ag4 h MET 32 Ca -0.01 -0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 59.29 3ag4 h MET 32 Cb 0.19 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 3ag4 h MET 32 CO 0.02 0.71 -0.25 0.00 0.23 0.00 0.00 176.91 177.62 3ag4 h ALA 33 N 1.49 0.93 0.00 0.39 0.00 -0.71 -3.38 119.26 117.99 3ag4 h ALA 33 Ca 0.46 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ag4 h ALA 33 Cb 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ag4 h ALA 33 CO -0.21 0.31 -0.25 0.25 0.00 0.00 0.00 179.25 179.36 3ag4 n THR 34 N -3.30 0.00 -0.06 0.00 -2.24 -0.88 -4.84 114.28 102.95 3ag4 n THR 34 Ca 0.01 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3ag4 n THR 34 Cb 0.51 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.78 0.67 -0.06 -0.78 1.13 0.33 -4.71 117.38 113.18 3ag4 n GLN 35 Ca 0.00 -0.36 0.07 0.00 -1.94 0.00 0.00 57.00 54.76 3ag4 n GLN 35 Cb 0.00 -0.85 0.10 0.00 0.11 0.00 0.00 30.24 29.59 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 -0.20 1.59 -0.47 5.09 -5.35 -1.24 -4.98 119.36 113.80 3ag4 n ILE 36 Ca 0.00 -1.82 0.00 0.00 -0.27 0.00 0.00 62.75 60.66 3ag4 n ILE 36 Cb 0.01 0.02 0.00 0.00 -1.74 0.00 0.00 39.64 37.93 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 -1.08 0.76 3.74 3.28 0.00 -1.26 -5.04 105.19 105.60 3ag4 n GLY 37 Ca 0.11 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3ag4 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ag4 s ILE 38 N -2.00 2.52 -0.44 -0.61 1.01 -1.26 -4.98 121.20 115.45 3ag4 s ILE 38 Ca 0.00 0.44 -0.14 0.00 0.00 0.00 0.00 60.65 60.94 3ag4 s ILE 38 Cb 0.00 -3.28 0.05 0.00 0.01 0.00 0.00 42.46 39.24 3ag4 s ILE 38 CO 0.00 0.07 0.33 -0.70 0.00 0.00 0.00 174.94 174.64 3ag4 s GLU 39 N -0.29 2.92 0.37 2.79 2.56 -1.26 -4.92 118.70 120.87 3ag4 s GLU 39 Ca 0.61 -1.23 0.20 0.00 0.00 0.00 0.00 54.97 54.55 3ag4 s GLU 39 Cb -0.43 -4.01 0.26 0.00 2.00 0.00 0.00 34.13 31.95 3ag4 s GLU 39 CO 0.43 -0.90 1.55 -1.49 -0.56 0.00 0.00 175.26 174.30 3ag4 h TRP 40 N 8.65 0.00 -5.79 5.30 4.06 -1.96 -3.48 115.95 122.73 3ag4 h TRP 40 Ca -0.27 0.00 -0.32 0.00 2.06 0.00 0.00 58.89 60.35 3ag4 h TRP 40 Cb 1.11 0.00 0.15 0.00 -1.00 0.00 0.00 29.16 29.42 3ag4 h TRP 40 CO 0.60 0.23 -0.88 -1.71 -3.56 0.00 0.00 178.44 173.12 3ag4 n ASN 41 N -3.16 -6.11 -4.76 -3.49 5.15 -1.26 -4.98 115.26 96.64 3ag4 n ASN 41 Ca 0.03 -0.83 -0.30 0.00 -0.60 0.00 0.00 54.58 52.87 3ag4 n ASN 41 Cb 0.61 -4.41 0.10 0.00 -0.53 0.00 0.00 39.78 35.56 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 -5.05 1.94 0.23 1.20 0.04 -1.26 -4.98 135.00 127.13 3ag4 s PRO 42 Ca 0.46 0.95 -0.31 0.00 0.04 0.00 0.00 61.00 62.14 3ag4 s PRO 42 Cb -0.11 -1.88 -0.14 0.00 0.04 0.00 0.00 34.50 32.41 3ag4 s PRO 42 CO 0.79 -1.80 1.18 0.45 0.04 0.00 0.00 177.00 177.66 3ag4 n SER 43 N -3.60 1.73 0.20 6.66 2.88 -1.26 -4.87 113.62 115.36 3ag4 n SER 43 Ca 0.08 1.16 0.15 0.00 -1.33 0.00 0.00 58.87 58.92 3ag4 n SER 43 Cb 0.54 -1.30 0.62 0.00 -0.75 0.00 0.00 64.21 63.32 3ag4 n SER 43 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3ag4 h PRO 44 N 3.10 0.00 -6.67 -1.46 0.11 -1.96 -3.43 132.00 121.69 3ag4 h PRO 44 Ca -0.43 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.14 3ag4 h PRO 44 Cb 1.32 0.00 0.07 0.00 0.11 0.00 0.00 31.00 32.50 3ag4 h PRO 44 CO 0.68 0.00 0.87 0.28 -0.21 0.00 0.00 178.00 179.62 3ag4 n VAL 45 N -2.60 0.48 -0.65 3.15 0.31 -1.26 -0.22 118.33 117.54 3ag4 n VAL 45 Ca 0.01 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3ag4 n VAL 45 Cb 0.23 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 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 3.00 0.20 0.00 2.92 0.00 -1.26 -4.73 105.19 105.32 3ag4 n GLY 46 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.75 2.46 -4.31 1.61 1.85 0.69 -5.05 116.66 112.17 3ag4 n ARG 47 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.51 3ag4 n ARG 47 Cb 0.05 -0.73 -0.10 0.00 -1.05 0.00 0.00 32.46 30.62 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 -1.23 4.26 -0.40 8.89 1.01 0.14 -5.07 120.40 127.99 3ag4 s VAL 48 Ca 0.00 -0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.48 3ag4 s VAL 48 Cb 0.00 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.56 3ag4 s VAL 48 CO 0.00 0.53 0.95 -0.89 0.00 0.00 0.00 175.10 175.69 3ag4 s THR 49 N -0.16 4.52 0.40 3.92 2.01 -1.26 -4.91 115.64 120.15 3ag4 s THR 49 Ca 0.05 1.08 -0.27 0.00 0.31 0.00 0.00 61.69 62.86 3ag4 s THR 49 Cb -0.13 -4.39 -0.10 0.00 0.01 0.00 0.00 72.50 67.89 3ag4 s THR 49 CO 0.02 -0.66 1.41 -2.65 -0.69 0.00 0.00 174.62 172.05 3ag4 n PRO 50 N 6.99 2.39 -4.55 4.92 -0.02 -1.26 -5.01 135.00 138.46 3ag4 n PRO 50 Ca 0.07 0.84 -0.25 0.00 -2.02 0.00 0.00 63.50 62.15 3ag4 n PRO 50 Cb 0.48 -2.57 -0.14 0.00 -0.02 0.00 0.00 33.50 31.26 3ag4 n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3ag4 s LYS 51 N -2.16 1.30 0.15 -0.52 2.20 -1.26 -5.10 119.74 114.35 3ag4 s LYS 51 Ca 0.56 -0.97 -0.34 0.00 -0.36 0.00 0.00 55.97 54.86 3ag4 s LYS 51 Cb -0.49 -1.44 -0.15 0.00 -1.51 0.00 0.00 37.83 34.25 3ag4 s LYS 51 CO 0.61 0.36 1.49 0.39 -0.36 0.00 0.00 175.35 177.84 3ag4 n GLU 52 N 1.69 1.87 -0.00 4.03 -0.58 -1.26 -4.90 120.64 121.49 3ag4 n GLU 52 Ca -0.18 0.67 0.00 0.00 -0.42 0.00 0.00 57.16 57.24 3ag4 n GLU 52 Cb 0.53 -2.39 -0.02 0.00 -0.57 0.00 0.00 31.44 28.99 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 2.98 0.00 1.58 -0.32 4.27 -1.26 -5.33 117.44 119.35 3ag4 n TRP 53 Ca 0.17 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.90 3ag4 n TRP 53 Cb 0.27 -0.07 0.75 0.00 -1.36 0.00 0.00 31.31 30.90 3ag4 n TRP 53 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27