#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fdm s GLU 2 N 0.00 1.31 0.08 0.00 2.02 -1.26 -4.97 118.70 115.88 1fdm s GLU 2 Ca 0.00 -2.03 -0.20 0.00 0.02 0.00 0.00 54.97 52.76 1fdm s GLU 2 Cb 0.00 -2.37 -0.10 0.00 0.10 0.00 0.00 34.13 31.77 1fdm s GLU 2 CO 0.00 -1.16 1.57 0.78 0.02 0.00 0.00 175.26 176.47 1fdm h GLY 3 N 6.72 0.34 -2.47 -1.39 0.00 -2.09 -3.46 103.07 100.71 1fdm h GLY 3 Ca -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1fdm h GLY 3 CO 0.49 0.19 -0.07 0.99 0.00 0.00 0.00 176.54 178.14 1fdm s ASP 4 N -5.70 -0.15 0.61 0.19 1.01 -1.26 -5.14 116.67 106.24 1fdm s ASP 4 Ca -0.14 -0.72 -0.18 0.00 0.71 0.00 0.00 52.55 52.23 1fdm s ASP 4 Cb 0.07 0.57 -0.05 0.00 1.01 0.00 0.00 42.92 44.52 1fdm s ASP 4 CO 0.72 -1.08 0.94 0.47 0.21 0.00 0.00 175.17 176.43 1fdm n ASP 5 N -0.34 0.66 0.14 0.27 8.00 -1.26 -4.89 116.55 119.13 1fdm n ASP 5 Ca -0.06 0.79 0.03 0.00 0.71 0.00 0.00 54.79 56.25 1fdm n ASP 5 Cb 0.62 -1.38 0.07 0.00 -0.02 0.00 0.00 41.12 40.41 1fdm n ASP 5 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1fdm h PRO 6 N 0.41 0.00 -0.63 -0.24 0.13 -2.01 -3.36 132.00 126.31 1fdm h PRO 6 Ca -0.48 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.36 1fdm h PRO 6 Cb 1.37 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.13 1fdm h PRO 6 CO 0.50 0.50 -1.06 0.00 -0.23 0.00 0.00 178.00 177.71 1fdm n ALA 7 N -2.24 2.89 -0.01 -0.56 0.00 -1.26 -4.90 120.51 114.43 1fdm n ALA 7 Ca 0.02 -2.73 0.21 0.00 0.00 0.00 0.00 53.44 50.93 1fdm n ALA 7 Cb 0.71 -0.91 0.71 0.00 0.00 0.00 0.00 19.45 19.95 1fdm n ALA 7 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1fdm h LYS 8 N 2.65 0.00 0.02 0.00 2.10 -1.96 -2.54 116.57 116.84 1fdm h LYS 8 Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 1fdm h LYS 8 Cb 1.23 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1fdm h LYS 8 CO 0.28 0.00 -0.04 0.00 -2.00 0.00 0.00 179.45 177.69 1fdm h ALA 9 N 1.69 -0.65 -0.85 0.07 0.00 -1.93 -1.70 119.26 115.88 1fdm h ALA 9 Ca 0.26 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.31 1fdm h ALA 9 Cb 1.09 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 1fdm h ALA 9 CO -0.00 -0.66 0.55 0.00 0.00 0.00 0.00 179.25 179.14 1fdm h ALA 10 N -1.53 1.92 -0.72 0.00 0.00 -1.91 -0.77 119.26 116.25 1fdm h ALA 10 Ca -0.00 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.07 1fdm h ALA 10 Cb 0.07 -0.11 -0.13 0.00 0.00 0.00 0.00 17.79 17.62 1fdm h ALA 10 CO -0.02 -0.15 -0.14 0.35 0.00 0.00 0.00 179.25 179.30 1fdm h PHE 11 N 0.61 -0.30 -0.08 0.00 3.04 -0.92 1.01 116.94 120.30 1fdm h PHE 11 Ca 0.43 0.06 -0.10 0.00 3.98 0.00 0.00 57.97 62.34 1fdm h PHE 11 Cb 0.76 0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.50 1fdm h PHE 11 CO -0.00 -0.29 -0.41 0.22 -2.02 0.00 0.00 178.31 175.80 1fdm h ASP 12 N 0.02 0.17 0.00 0.41 3.58 -0.58 -2.19 116.42 117.83 1fdm h ASP 12 Ca 0.36 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.73 1fdm h ASP 12 Cb 0.56 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1fdm h ASP 12 CO -0.71 0.57 0.00 -1.20 -2.88 0.00 0.00 179.24 175.02 1fdm n SER 13 N -4.03 0.00 -0.55 2.28 7.64 0.28 -1.33 113.62 117.91 1fdm n SER 13 Ca -0.02 0.11 0.44 0.00 1.01 0.00 0.00 58.87 60.42 1fdm n SER 13 Cb 0.47 -0.08 0.72 0.00 -1.01 0.00 0.00 64.21 64.31 1fdm n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fdm n LEU 14 N -0.73 0.13 -0.03 -3.43 -0.00 0.24 -0.35 117.00 112.84 1fdm n LEU 14 Ca 0.00 1.22 -0.08 0.00 -0.00 0.00 0.00 56.01 57.15 1fdm n LEU 14 Cb 0.00 -0.60 -0.07 0.00 -0.00 0.00 0.00 43.42 42.75 1fdm n LEU 14 CO 0.00 -1.30 0.25 -0.61 -0.00 0.00 0.00 177.39 175.73 1fdm h GLN 15 N 0.00 -0.06 0.00 1.47 4.15 -1.48 -3.24 115.11 115.96 1fdm h GLN 15 Ca 0.89 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.31 1fdm h GLN 15 Cb 3.14 0.01 0.00 0.00 0.21 0.00 0.00 27.48 30.84 1fdm h GLN 15 CO -0.30 0.43 0.26 0.00 -1.93 0.00 0.00 178.83 177.30 1fdm h ALA 16 N -0.46 1.23 -0.10 3.38 0.00 0.62 -0.43 119.26 123.50 1fdm h ALA 16 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1fdm h ALA 16 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1fdm h ALA 16 CO 0.01 -0.23 0.06 0.45 0.00 0.00 0.00 179.25 179.54 1fdm n SER 17 N -2.58 2.94 -3.43 0.00 2.88 -0.32 -4.39 113.62 108.71 1fdm n SER 17 Ca -0.02 -2.16 -0.16 0.00 -1.33 0.00 0.00 58.87 55.20 1fdm n SER 17 Cb 0.30 -0.53 0.02 0.00 -0.75 0.00 0.00 64.21 63.25 1fdm n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fdm n ALA 18 N 0.31 -2.60 0.17 -1.46 0.00 -0.18 -4.91 120.51 111.84 1fdm n ALA 18 Ca 0.06 -0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.39 1fdm n ALA 18 Cb 0.60 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1fdm n ALA 18 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1fdm n THR 19 N -2.77 0.00 0.00 0.00 5.66 -1.16 -4.85 114.28 111.16 1fdm n THR 19 Ca -0.11 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.42 1fdm n THR 19 Cb 0.58 1.05 0.00 0.00 -1.55 0.00 0.00 70.33 70.41 1fdm n THR 19 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1fdm n GLU 20 N -0.34 0.00 0.00 1.09 4.07 -1.26 -5.04 120.64 119.16 1fdm n GLU 20 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 1fdm n GLU 20 Cb 0.08 -0.14 0.00 0.00 -0.06 0.00 0.00 31.44 31.32 1fdm n GLU 20 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 1fdm n TYR 21 N -2.16 0.00 1.81 4.31 0.18 -1.26 -4.92 117.16 115.12 1fdm n TYR 21 Ca 0.00 0.00 0.14 0.00 1.88 0.00 0.00 57.90 59.92 1fdm n TYR 21 Cb 0.00 0.00 0.74 0.00 -0.38 0.00 0.00 39.34 39.70 1fdm n TYR 21 CO 0.00 0.00 0.00 1.51 -2.08 0.00 0.00 176.86 176.29 1fdm n ILE 22 N 0.00 0.01 0.29 -3.48 3.06 -1.26 -3.44 119.36 114.55 1fdm n ILE 22 Ca 0.00 -0.09 0.16 0.00 -2.50 0.00 0.00 62.75 60.32 1fdm n ILE 22 Cb 0.00 -0.14 0.85 0.00 0.54 0.00 0.00 39.64 40.88 1fdm n ILE 22 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1fdm h GLY 23 N 5.02 0.00 -1.12 4.50 0.00 -1.79 -1.79 103.07 107.88 1fdm h GLY 23 Ca 0.00 0.00 0.35 0.00 0.00 0.00 0.00 47.33 47.68 1fdm h GLY 23 CO 0.00 0.00 1.23 0.10 0.00 0.00 0.00 176.54 177.87 1fdm h TYR 24 N 0.00 0.00 0.00 5.60 -0.00 -1.76 -3.28 116.97 117.53 1fdm h TYR 24 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1fdm h TYR 24 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.12 1fdm h TYR 24 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1fdm n ALA 25 N -2.38 0.00 -1.96 0.10 0.00 -0.68 -5.01 120.51 110.58 1fdm n ALA 25 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.70 1fdm n ALA 25 Cb 1.59 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 21.03 1fdm n ALA 25 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1fdm n TRP 26 N 0.00 0.00 -0.24 0.00 4.27 -1.18 -4.93 117.44 115.35 1fdm n TRP 26 Ca 0.00 -0.07 -0.00 0.00 -3.89 0.00 0.00 57.50 53.53 1fdm n TRP 26 Cb 0.00 0.28 0.21 0.00 -1.36 0.00 0.00 31.31 30.44 1fdm n TRP 26 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1fdm h ALA 27 N 0.00 1.39 -0.91 -1.67 0.00 -1.90 -1.10 119.26 115.07 1fdm h ALA 27 Ca -0.08 -0.07 0.21 0.00 0.00 0.00 0.00 54.91 54.96 1fdm h ALA 27 Cb 1.02 -0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 1fdm h ALA 27 CO -0.04 0.54 0.60 1.98 0.00 0.00 0.00 179.25 182.33 1fdm h MET 28 N 1.08 0.39 -0.72 0.00 1.85 -1.91 -0.21 114.93 115.41 1fdm h MET 28 Ca 0.29 -0.02 0.07 0.00 -0.61 0.00 0.00 59.70 59.42 1fdm h MET 28 Cb -0.08 -0.09 -0.06 0.00 0.43 0.00 0.00 31.60 31.80 1fdm h MET 28 CO -0.06 0.26 0.40 0.28 -0.40 0.00 0.00 176.91 177.39 1fdm h VAL 29 N 0.41 0.95 -0.03 -5.77 2.07 -1.59 -1.94 116.25 110.34 1fdm h VAL 29 Ca 0.48 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.74 1fdm h VAL 29 Cb 1.19 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1fdm h VAL 29 CO -0.18 0.13 -0.05 0.58 0.02 0.00 0.00 177.57 178.06 1fdm h VAL 30 N 0.71 1.43 -0.51 2.57 2.07 -1.15 -2.11 116.25 119.27 1fdm h VAL 30 Ca 0.33 -1.37 0.10 0.00 0.82 0.00 0.00 66.70 66.58 1fdm h VAL 30 Cb 0.24 2.29 -0.10 0.00 -1.52 0.00 0.00 31.29 32.19 1fdm h VAL 30 CO -0.21 0.37 -0.27 0.58 0.02 0.00 0.00 177.57 178.06 1fdm h VAL 31 N -0.45 0.27 -0.06 2.57 2.07 -1.17 -1.05 116.25 118.44 1fdm h VAL 31 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1fdm h VAL 31 Cb 0.62 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1fdm h VAL 31 CO 0.01 0.00 0.02 -0.29 0.02 0.00 0.00 177.57 177.33 1fdm h ILE 32 N -0.15 1.15 -0.60 4.57 -0.00 -1.40 -0.62 117.51 120.46 1fdm h ILE 32 Ca 0.23 -0.44 0.17 0.00 -0.00 0.00 0.00 64.86 64.82 1fdm h ILE 32 Cb 0.51 1.34 -0.02 0.00 -0.00 0.00 0.00 36.82 38.64 1fdm h ILE 32 CO -0.60 0.12 0.78 0.58 -0.00 0.00 0.00 178.15 179.04 1fdm h VAL 33 N -0.08 0.16 -0.00 2.19 2.07 -0.52 2.51 116.25 122.59 1fdm h VAL 33 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1fdm h VAL 33 Cb 0.18 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1fdm h VAL 33 CO -0.00 0.00 -0.00 1.23 0.02 0.00 0.00 177.57 178.82 1fdm h GLY 34 N 0.00 0.00 0.85 2.17 0.00 -0.00 -0.80 103.07 105.29 1fdm h GLY 34 Ca 0.29 -0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.58 1fdm h GLY 34 CO -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 176.54 176.25 1fdm h ALA 35 N 0.51 -0.80 0.15 3.60 0.00 0.43 0.18 119.26 123.33 1fdm h ALA 35 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1fdm h ALA 35 Cb 0.49 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1fdm h ALA 35 CO 0.00 -0.87 -0.52 1.15 0.00 0.00 0.00 179.25 179.01 1fdm h THR 36 N -0.96 0.02 0.00 0.00 2.02 -0.08 0.20 112.91 114.11 1fdm h THR 36 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1fdm h THR 36 Cb 0.66 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1fdm h THR 36 CO 0.13 0.00 0.00 0.40 0.37 0.00 0.00 175.52 176.42 1fdm h ILE 37 N -0.76 0.00 0.00 3.11 1.08 -1.18 0.23 117.51 119.99 1fdm h ILE 37 Ca -0.01 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1fdm h ILE 37 Cb 0.76 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 1fdm h ILE 37 CO -0.27 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.80 1fdm n GLY 38 N -1.06 0.01 0.11 5.37 0.00 0.64 -2.36 105.19 107.89 1fdm n GLY 38 Ca -0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 1fdm n GLY 38 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1fdm n ILE 39 N -1.55 1.33 0.00 -0.61 3.06 -0.22 -1.20 119.36 120.17 1fdm n ILE 39 Ca 0.00 0.62 0.00 0.00 -2.50 0.00 0.00 62.75 60.87 1fdm n ILE 39 Cb 0.00 -1.61 0.00 0.00 0.54 0.00 0.00 39.64 38.57 1fdm n ILE 39 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 1fdm n LYS 40 N -2.00 0.00 0.30 9.51 3.00 0.81 -1.33 118.16 128.45 1fdm n LYS 40 Ca -0.01 0.34 0.19 0.00 -0.00 0.00 0.00 58.31 58.83 1fdm n LYS 40 Cb 0.04 -0.90 1.02 0.00 0.00 0.00 0.00 35.03 35.19 1fdm n LYS 40 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1fdm h LEU 41 N 0.00 0.00 0.00 3.14 -0.00 -1.42 0.17 115.31 117.19 1fdm h LEU 41 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1fdm h LEU 41 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1fdm h LEU 41 CO 0.00 0.00 -0.02 0.15 -0.00 0.00 0.00 178.44 178.57 1fdm h PHE 42 N 0.00 0.00 -0.01 1.13 3.04 -1.27 -3.32 116.94 116.51 1fdm h PHE 42 Ca 0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1fdm h PHE 42 Cb 0.13 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.64 1fdm h PHE 42 CO 0.00 0.08 0.00 1.63 -2.02 0.00 0.00 178.31 178.00 1fdm n LYS 43 N -4.76 1.01 0.12 1.11 4.01 -0.45 -3.37 118.16 115.84 1fdm n LYS 43 Ca -0.01 -0.02 0.13 0.00 -0.51 0.00 0.00 58.31 57.89 1fdm n LYS 43 Cb 0.05 -1.04 0.45 0.00 -0.51 0.00 0.00 35.03 33.98 1fdm n LYS 43 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1fdm n LYS 44 N -0.52 0.24 -0.28 1.97 4.81 0.57 -1.18 118.16 123.78 1fdm n LYS 44 Ca 0.02 0.32 0.04 0.00 -0.87 0.00 0.00 58.31 57.82 1fdm n LYS 44 Cb 0.01 -1.85 0.26 0.00 0.02 0.00 0.00 35.03 33.47 1fdm n LYS 44 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1fdm h PHE 45 N 0.00 0.99 0.00 5.64 3.57 -1.78 -3.16 116.94 122.21 1fdm h PHE 45 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1fdm h PHE 45 Cb 0.57 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.99 1fdm h PHE 45 CO 0.00 0.53 0.00 0.25 -2.23 0.00 0.00 178.31 176.86 1fdm n THR 46 N -4.48 0.00 0.00 4.41 -2.24 -1.19 -4.82 114.28 105.96 1fdm n THR 46 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1fdm n THR 46 Cb 0.19 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1fdm n THR 46 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1fdm n SER 47 N 0.00 0.00 -0.02 3.42 2.88 -0.32 -4.79 113.62 114.79 1fdm n SER 47 Ca 0.00 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.37 1fdm n SER 47 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1fdm n SER 47 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1fdm h LYS 48 N 0.00 0.72 0.00 -1.46 5.09 -1.94 -3.46 116.57 115.52 1fdm h LYS 48 Ca 0.00 -0.61 0.00 0.00 0.09 0.00 0.00 60.65 60.13 1fdm h LYS 48 Cb 0.00 0.13 0.00 0.00 0.10 0.00 0.00 32.23 32.46 1fdm h LYS 48 CO 0.00 1.22 0.00 0.00 -2.09 0.00 0.00 179.45 178.58 1fdm n ALA 49 N -2.60 0.00 -0.13 0.07 0.00 -1.26 -5.15 120.51 111.44 1fdm n ALA 49 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1fdm n ALA 49 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.18 1fdm n ALA 49 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37