#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 2.25 -0.41 0.00 0.41 -1.26 -5.03 118.70 114.66 1fdm s GLU 2 Ca 0.00 -0.85 0.05 0.00 -0.41 0.00 0.00 54.97 53.76 1fdm s GLU 2 Cb 0.00 -2.20 0.43 0.00 -1.78 0.00 0.00 34.13 30.58 1fdm s GLU 2 CO 0.00 0.58 1.21 0.41 -0.49 0.00 0.00 175.26 176.97 1fdm n GLY 3 N 2.22 6.12 3.93 -1.39 0.00 -1.26 -5.05 105.19 109.77 1fdm n GLY 3 Ca -0.17 -2.71 -0.28 0.00 0.00 0.00 0.00 46.02 42.86 1fdm n GLY 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fdm s ASP 4 N -3.39 3.87 -0.62 1.61 -1.08 -1.26 -5.03 116.67 110.77 1fdm s ASP 4 Ca 0.50 0.37 0.06 0.00 -0.52 0.00 0.00 52.55 52.95 1fdm s ASP 4 Cb 0.41 -0.65 0.23 0.00 -1.46 0.00 0.00 42.92 41.44 1fdm s ASP 4 CO -0.11 -2.25 0.65 0.47 0.52 0.00 0.00 175.17 174.44 1fdm n ASP 5 N -3.42 3.01 0.00 -0.34 8.00 -1.26 -4.93 116.55 117.61 1fdm n ASP 5 Ca 0.12 -3.26 0.00 0.00 0.71 0.00 0.00 54.79 52.36 1fdm n ASP 5 Cb 0.60 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1fdm n ASP 5 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1fdm n PRO 6 N 1.25 0.00 0.19 -0.24 -0.04 -1.26 -2.28 135.00 132.62 1fdm n PRO 6 Ca 0.27 0.44 0.07 0.00 -0.04 0.00 0.00 63.50 64.24 1fdm n PRO 6 Cb 0.41 -0.98 0.33 0.00 -0.04 0.00 0.00 33.50 33.22 1fdm n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fdm h ALA 7 N -2.00 0.95 0.25 0.55 0.00 -1.99 -2.84 119.26 114.17 1fdm h ALA 7 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1fdm h ALA 7 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1fdm h ALA 7 CO 0.00 0.41 -0.12 0.87 0.00 0.00 0.00 179.25 180.41 1fdm h LYS 8 N 0.00 -0.32 -0.65 0.00 1.57 -1.92 -1.36 116.57 113.89 1fdm h LYS 8 Ca -0.00 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.93 1fdm h LYS 8 Cb 0.92 0.07 -0.12 0.00 0.08 0.00 0.00 32.23 33.18 1fdm h LYS 8 CO 0.04 -0.21 -0.20 0.00 -0.57 0.00 0.00 179.45 178.51 1fdm h ALA 9 N -1.22 0.35 -0.93 3.86 0.00 -1.54 0.41 119.26 120.20 1fdm h ALA 9 Ca -0.03 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1fdm h ALA 9 Cb 0.25 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1fdm h ALA 9 CO 0.06 -0.47 0.57 0.00 0.00 0.00 0.00 179.25 179.41 1fdm h ALA 10 N 1.54 1.25 -0.71 0.00 0.00 -1.59 -2.05 119.26 117.70 1fdm h ALA 10 Ca 0.30 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 55.25 1fdm h ALA 10 Cb 0.50 -0.38 -0.13 0.00 0.00 0.00 0.00 17.79 17.78 1fdm h ALA 10 CO -0.68 0.65 -0.22 0.35 0.00 0.00 0.00 179.25 179.35 1fdm h PHE 11 N 1.28 -0.53 -0.36 0.00 3.57 0.10 1.30 116.94 122.30 1fdm h PHE 11 Ca 0.34 0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.85 1fdm h PHE 11 Cb -0.07 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1fdm h PHE 11 CO 0.00 -0.33 -0.02 -0.44 -2.23 0.00 0.00 178.31 175.29 1fdm h ASP 12 N -0.04 0.55 0.00 0.41 5.19 -1.03 -2.06 116.42 119.45 1fdm h ASP 12 Ca 0.32 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1fdm h ASP 12 Cb 0.54 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.91 1fdm h ASP 12 CO -0.74 0.63 0.00 -0.24 -3.12 0.00 0.00 179.24 175.77 1fdm n SER 13 N -4.25 0.00 -0.19 6.45 2.88 0.37 -1.66 113.62 117.22 1fdm n SER 13 Ca 0.02 0.20 0.26 0.00 -1.33 0.00 0.00 58.87 58.01 1fdm n SER 13 Cb 0.27 -0.09 0.40 0.00 -0.75 0.00 0.00 64.21 64.04 1fdm n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fdm n LEU 14 N -0.78 0.00 -0.05 2.46 -0.00 0.29 0.02 117.00 118.94 1fdm n LEU 14 Ca 0.00 0.72 -0.01 0.00 -0.00 0.00 0.00 56.01 56.73 1fdm n LEU 14 Cb 0.00 -0.24 -0.00 0.00 -0.00 0.00 0.00 43.42 43.17 1fdm n LEU 14 CO 0.00 -0.72 -0.02 1.56 -0.00 0.00 0.00 177.39 178.20 1fdm h GLN 15 N 0.00 0.00 0.00 1.47 4.20 -1.45 -3.26 115.11 116.07 1fdm h GLN 15 Ca 0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1fdm h GLN 15 Cb 2.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.59 1fdm h GLN 15 CO -0.00 0.02 0.18 0.00 -0.67 0.00 0.00 178.83 178.36 1fdm n ALA 16 N -2.85 0.78 1.32 3.87 0.00 0.10 -0.58 120.51 123.15 1fdm n ALA 16 Ca -0.01 0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.59 1fdm n ALA 16 Cb 0.03 -0.97 0.04 0.00 0.00 0.00 0.00 19.45 18.55 1fdm n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1fdm n SER 17 N -2.08 0.92 -2.50 0.00 2.88 0.03 -3.89 113.62 108.99 1fdm n SER 17 Ca -0.01 -2.05 -0.01 0.00 -1.33 0.00 0.00 58.87 55.47 1fdm n SER 17 Cb 0.21 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 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 -0.11 -2.36 0.00 -1.46 0.00 0.25 -4.92 120.51 111.91 1fdm n ALA 18 Ca 0.03 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1fdm n ALA 18 Cb 0.20 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.24 0.00 -0.04 0.00 5.66 -1.21 -4.84 114.28 112.61 1fdm n THR 19 Ca 0.02 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.98 1fdm n THR 19 Cb 0.45 -0.66 -0.07 0.00 -1.55 0.00 0.00 70.33 68.50 1fdm n THR 19 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1fdm n GLU 20 N -2.25 2.63 0.00 1.09 0.28 -1.26 -4.97 120.64 116.15 1fdm n GLU 20 Ca 0.00 -0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1fdm n GLU 20 Cb 0.48 -1.21 0.00 0.00 1.43 0.00 0.00 31.44 32.14 1fdm n GLU 20 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 1fdm n TYR 21 N -2.30 0.00 -3.30 -1.84 0.18 -1.26 -5.04 117.16 103.60 1fdm n TYR 21 Ca -0.13 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.23 1fdm n TYR 21 Cb 0.76 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.71 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 4.38 -1.02 -3.48 0.00 -1.26 -4.73 119.36 113.25 1fdm n ILE 22 Ca 0.00 -5.50 -0.11 0.00 0.00 0.00 0.00 62.75 57.13 1fdm n ILE 22 Cb 0.00 -2.35 0.26 0.00 0.00 0.00 0.00 39.64 37.55 1fdm n ILE 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1fdm n GLY 23 N 2.04 3.84 0.27 4.50 0.00 -1.17 -2.93 105.19 111.73 1fdm n GLY 23 Ca 0.25 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 45.40 1fdm n GLY 23 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1fdm n TYR 24 N -0.43 0.00 -1.61 1.61 4.01 -1.25 -4.23 117.16 115.27 1fdm n TYR 24 Ca 0.46 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.20 1fdm n TYR 24 Cb 1.45 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 40.40 1fdm n TYR 24 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1fdm n ALA 25 N -0.66 0.00 -2.54 -0.72 0.00 -1.26 -4.97 120.51 110.37 1fdm n ALA 25 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 1fdm n ALA 25 Cb 0.38 -0.37 0.05 0.00 0.00 0.00 0.00 19.45 19.51 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 -2.81 1.47 0.25 0.00 2.14 -1.26 -4.82 117.44 112.41 1fdm n TRP 26 Ca 0.00 -1.97 0.16 0.00 2.07 0.00 0.00 57.50 57.76 1fdm n TRP 26 Cb 0.37 -0.25 0.87 0.00 -0.81 0.00 0.00 31.31 31.49 1fdm n TRP 26 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1fdm h ALA 27 N 2.27 1.67 -1.14 -1.67 0.00 -1.91 0.02 119.26 118.50 1fdm h ALA 27 Ca -0.01 -0.00 0.33 0.00 0.00 0.00 0.00 54.91 55.23 1fdm h ALA 27 Cb 1.39 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1fdm h ALA 27 CO 0.32 -0.16 0.98 0.00 0.00 0.00 0.00 179.25 180.38 1fdm h MET 28 N 0.00 0.00 0.68 0.00 -0.00 -1.99 0.30 114.93 113.92 1fdm h MET 28 Ca 0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.72 1fdm h MET 28 Cb 0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.87 1fdm h MET 28 CO -0.00 0.00 -0.42 0.28 -0.00 0.00 0.00 176.91 176.77 1fdm h VAL 29 N 0.00 0.15 0.00 -0.10 2.07 -1.40 -2.28 116.25 114.69 1fdm h VAL 29 Ca 0.54 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.04 1fdm h VAL 29 Cb 2.49 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1fdm h VAL 29 CO -0.01 0.00 -0.09 1.62 0.02 0.00 0.00 177.57 179.12 1fdm h VAL 30 N -1.04 1.04 0.46 2.57 3.04 -0.62 -1.73 116.25 119.96 1fdm h VAL 30 Ca -0.09 -0.31 -0.02 0.00 -1.01 0.00 0.00 66.70 65.27 1fdm h VAL 30 Cb 0.84 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 1fdm h VAL 30 CO 0.08 0.09 -0.23 0.58 -1.01 0.00 0.00 177.57 177.08 1fdm h VAL 31 N 0.00 0.00 0.45 1.51 2.07 -0.90 -1.12 116.25 118.27 1fdm h VAL 31 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1fdm h VAL 31 Cb 0.16 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1fdm h VAL 31 CO 0.01 0.00 -0.23 -0.29 0.02 0.00 0.00 177.57 177.08 1fdm h ILE 32 N -0.63 0.53 -0.52 4.57 2.10 -1.35 0.50 117.51 122.70 1fdm h ILE 32 Ca -0.06 0.00 0.15 0.00 1.08 0.00 0.00 64.86 66.03 1fdm h ILE 32 Cb 0.49 0.53 -0.02 0.00 -1.09 0.00 0.00 36.82 36.72 1fdm h ILE 32 CO 0.10 0.00 0.77 0.58 -1.08 0.00 0.00 178.15 178.52 1fdm h VAL 33 N -0.63 0.14 0.05 2.19 2.07 -1.36 1.49 116.25 120.21 1fdm h VAL 33 Ca -0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1fdm h VAL 33 Cb 0.49 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1fdm h VAL 33 CO 0.09 0.00 -0.02 1.23 0.02 0.00 0.00 177.57 178.88 1fdm h GLY 34 N 0.00 -0.07 0.57 2.17 0.00 0.44 -0.46 103.07 105.73 1fdm h GLY 34 Ca 0.25 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 1fdm h GLY 34 CO -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 176.54 176.46 1fdm h ALA 35 N 0.50 0.07 0.52 3.60 0.00 0.22 0.39 119.26 124.55 1fdm h ALA 35 Ca -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1fdm h ALA 35 Cb 0.38 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1fdm h ALA 35 CO 0.01 -0.14 -0.25 1.15 0.00 0.00 0.00 179.25 180.02 1fdm h THR 36 N -0.36 0.00 0.00 0.00 2.02 -0.54 -0.45 112.91 113.58 1fdm h THR 36 Ca 0.01 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1fdm h THR 36 Cb 0.57 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1fdm h THR 36 CO 0.01 0.00 0.00 0.40 0.37 0.00 0.00 175.52 176.30 1fdm h ILE 37 N -0.71 0.00 0.00 3.11 1.08 -1.21 0.28 117.51 120.06 1fdm h ILE 37 Ca -0.07 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1fdm h ILE 37 Cb 0.54 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 1fdm h ILE 37 CO 0.12 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.19 1fdm n GLY 38 N -0.22 -0.07 0.23 5.37 0.00 0.14 -2.48 105.19 108.16 1fdm n GLY 38 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 1fdm n GLY 38 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1fdm h ILE 39 N 0.00 0.00 0.00 -0.61 -0.00 -1.16 0.46 117.51 116.20 1fdm h ILE 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 1fdm h ILE 39 Cb 0.00 0.60 0.00 0.00 -0.00 0.00 0.00 36.82 37.42 1fdm h ILE 39 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 178.15 179.32 1fdm n LYS 40 N -2.51 0.00 0.00 2.19 4.81 0.09 -1.33 118.16 121.41 1fdm n LYS 40 Ca -0.02 0.44 0.05 0.00 -0.87 0.00 0.00 58.31 57.91 1fdm n LYS 40 Cb 0.13 -1.30 0.22 0.00 0.02 0.00 0.00 35.03 34.10 1fdm n LYS 40 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1fdm n LEU 41 N -1.81 0.00 0.00 3.14 7.94 -1.04 -1.54 117.00 123.69 1fdm n LEU 41 Ca 0.00 0.47 0.00 0.00 -1.11 0.00 0.00 56.01 55.37 1fdm n LEU 41 Cb 0.00 -0.47 0.00 0.00 0.53 0.00 0.00 43.42 43.48 1fdm n LEU 41 CO 0.00 -0.31 0.02 0.33 -1.11 0.00 0.00 177.39 176.32 1fdm n PHE 42 N -1.47 0.00 0.23 1.96 7.35 0.13 -2.90 117.46 122.75 1fdm n PHE 42 Ca 0.03 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.80 1fdm n PHE 42 Cb 0.11 -0.44 0.55 0.00 0.35 0.00 0.00 39.48 40.04 1fdm n PHE 42 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1fdm h LYS 43 N 0.00 0.00 0.00 -4.13 3.64 -1.24 -1.93 116.57 112.91 1fdm h LYS 43 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1fdm h LYS 43 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1fdm h LYS 43 CO 0.00 0.22 0.00 1.17 -2.27 0.00 0.00 179.45 178.57 1fdm n LYS 44 N -3.90 0.04 -0.32 1.90 3.00 -0.59 -2.97 118.16 115.32 1fdm n LYS 44 Ca -0.02 0.05 0.22 0.00 -0.00 0.00 0.00 58.31 58.56 1fdm n LYS 44 Cb 0.31 -1.50 0.43 0.00 0.00 0.00 0.00 35.03 34.27 1fdm n LYS 44 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 1fdm h PHE 45 N 0.00 0.52 0.00 5.64 0.04 -1.21 -3.38 116.94 118.54 1fdm h PHE 45 Ca 0.00 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1fdm h PHE 45 Cb 0.43 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.52 1fdm h PHE 45 CO 0.00 -0.36 0.00 -2.37 -0.60 0.00 0.00 178.31 174.98 1fdm n THR 46 N -5.28 0.00 -0.91 -1.55 5.66 -1.25 -4.92 114.28 106.03 1fdm n THR 46 Ca 0.30 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.30 1fdm n THR 46 Cb 0.97 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.75 1fdm n THR 46 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1fdm n SER 47 N 0.00 -3.45 -0.00 1.09 3.41 -1.16 -4.74 113.62 108.77 1fdm n SER 47 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 1fdm n SER 47 Cb 0.00 -2.11 -0.04 0.00 -0.26 0.00 0.00 64.21 61.80 1fdm n SER 47 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1fdm n LYS 48 N -0.96 3.85 -2.81 4.33 4.76 -1.26 -5.07 118.16 121.00 1fdm n LYS 48 Ca 0.00 -0.01 -0.01 0.00 -2.87 0.00 0.00 58.31 55.41 1fdm n LYS 48 Cb 0.22 -0.86 0.00 0.00 -1.84 0.00 0.00 35.03 32.55 1fdm n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1fdm n ALA 49 N -1.28 -3.24 -1.41 7.82 0.00 -1.26 -5.07 120.51 116.07 1fdm n ALA 49 Ca 0.01 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1fdm n ALA 49 Cb 0.10 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1fdm n ALA 49 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37