#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 4.06 0.00 0.00 8.01 -1.26 -4.64 118.70 124.87 1fdm s GLU 2 Ca 0.00 -2.90 0.00 0.00 0.01 0.00 0.00 54.97 52.08 1fdm s GLU 2 Cb 0.00 -4.66 0.00 0.00 -4.31 0.00 0.00 34.13 25.16 1fdm s GLU 2 CO 0.00 -1.39 0.76 0.41 0.01 0.00 0.00 175.26 175.06 1fdm n GLY 3 N 3.33 0.27 2.92 -1.39 0.00 -1.26 -5.01 105.19 104.05 1fdm n GLY 3 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 1fdm n GLY 3 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1fdm s ASP 4 N -0.54 1.81 0.06 1.61 -4.77 -1.26 -5.13 116.67 108.45 1fdm s ASP 4 Ca 0.00 -0.25 -0.16 0.00 -3.30 0.00 0.00 52.55 48.84 1fdm s ASP 4 Cb 0.00 -0.73 0.03 0.00 -1.09 0.00 0.00 42.92 41.13 1fdm s ASP 4 CO 0.00 -0.08 0.37 -1.81 0.70 0.00 0.00 175.17 174.35 1fdm s ASP 5 N 1.34 -0.21 0.09 2.11 1.01 -1.26 -5.04 116.67 114.71 1fdm s ASP 5 Ca -0.03 -0.14 -0.08 0.00 0.71 0.00 0.00 52.55 53.00 1fdm s ASP 5 Cb -0.14 0.41 -0.21 0.00 1.01 0.00 0.00 42.92 43.99 1fdm s ASP 5 CO -0.03 -0.68 1.19 1.55 0.21 0.00 0.00 175.17 177.41 1fdm h PRO 6 N 2.96 0.47 -0.75 8.23 0.13 -2.06 -3.32 132.00 137.65 1fdm h PRO 6 Ca -0.32 -0.60 -0.55 0.00 -0.87 0.00 0.00 66.00 63.66 1fdm h PRO 6 Cb 1.21 0.19 -0.41 0.00 0.13 0.00 0.00 31.00 32.13 1fdm h PRO 6 CO 0.45 1.24 -0.67 0.00 -0.23 0.00 0.00 178.00 178.79 1fdm n ALA 7 N -2.59 5.10 0.24 -0.56 0.00 -1.26 -4.76 120.51 116.67 1fdm n ALA 7 Ca -0.10 -3.75 0.18 0.00 0.00 0.00 0.00 53.44 49.77 1fdm n ALA 7 Cb 0.93 -0.44 0.87 0.00 0.00 0.00 0.00 19.45 20.82 1fdm n ALA 7 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1fdm h LYS 8 N 2.14 0.00 0.00 0.00 3.64 -1.97 -1.45 116.57 118.93 1fdm h LYS 8 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1fdm h LYS 8 Cb 1.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 1fdm h LYS 8 CO 0.81 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.99 1fdm n ALA 9 N -2.24 0.00 -0.24 5.00 0.00 -1.26 -1.73 120.51 120.04 1fdm n ALA 9 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.47 1fdm n ALA 9 Cb 0.31 0.02 0.14 0.00 0.00 0.00 0.00 19.45 19.93 1fdm n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fdm h ALA 10 N -2.08 0.95 -0.99 0.00 0.00 -1.97 -0.72 119.26 114.45 1fdm h ALA 10 Ca 0.00 0.08 0.30 0.00 0.00 0.00 0.00 54.91 55.29 1fdm h ALA 10 Cb 0.00 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.62 1fdm h ALA 10 CO 0.00 -0.13 0.12 0.34 0.00 0.00 0.00 179.25 179.57 1fdm n PHE 11 N -4.94 0.73 -0.12 0.00 -0.00 -0.55 0.20 117.46 112.78 1fdm n PHE 11 Ca 0.11 1.19 -0.12 0.00 -0.00 0.00 0.00 57.45 58.63 1fdm n PHE 11 Cb 0.31 -1.30 -0.03 0.00 -0.00 0.00 0.00 39.48 38.47 1fdm n PHE 11 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1fdm h ASP 12 N 0.00 0.73 0.00 -2.13 3.32 -0.26 -1.84 116.42 116.24 1fdm h ASP 12 Ca 0.64 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1fdm h ASP 12 Cb 1.42 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1fdm h ASP 12 CO -0.90 0.96 0.00 -1.20 -1.72 0.00 0.00 179.24 176.38 1fdm n SER 13 N -4.35 0.00 -0.21 6.45 7.64 0.54 -0.76 113.62 122.93 1fdm n SER 13 Ca -0.02 0.50 -0.03 0.00 1.01 0.00 0.00 58.87 60.34 1fdm n SER 13 Cb 0.38 -0.34 0.04 0.00 -1.01 0.00 0.00 64.21 63.28 1fdm n SER 13 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1fdm h LEU 14 N 0.00 -0.88 -1.21 -3.43 3.38 0.04 0.44 115.31 113.64 1fdm h LEU 14 Ca 0.00 0.21 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 1fdm h LEU 14 Cb 0.00 0.49 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1fdm h LEU 14 CO 0.00 -0.26 -0.17 -0.61 0.09 0.00 0.00 178.44 177.48 1fdm h GLN 15 N -0.09 0.33 0.00 1.13 5.75 -1.40 -3.31 115.11 117.52 1fdm h GLN 15 Ca 0.28 -0.09 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 1fdm h GLN 15 Cb 0.52 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1fdm h GLN 15 CO -0.68 0.50 0.00 0.00 -2.65 0.00 0.00 178.83 176.00 1fdm n ALA 16 N -2.48 0.00 -2.59 3.38 0.00 0.15 0.86 120.51 119.82 1fdm n ALA 16 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1fdm n ALA 16 Cb 0.32 0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 1fdm n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1fdm s SER 17 N -2.29 6.50 0.00 0.00 0.01 -0.92 -1.57 113.70 115.43 1fdm s SER 17 Ca 0.00 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1fdm s SER 17 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1fdm s SER 17 CO 0.00 -1.35 0.00 0.00 0.41 0.00 0.00 173.24 172.30 1fdm n ALA 18 N 8.04 0.91 0.03 1.44 0.00 -1.26 -4.76 120.51 124.91 1fdm n ALA 18 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1fdm n ALA 18 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 0.00 0.00 0.00 5.66 -1.26 -4.91 114.28 113.77 1fdm n THR 19 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1fdm n THR 19 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 -2.87 0.00 0.00 1.09 0.00 -1.26 -4.00 120.64 113.60 1fdm n GLU 20 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 57.16 57.21 1fdm n GLU 20 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 31.44 31.72 1fdm n GLU 20 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 1fdm n TYR 21 N 0.00 0.00 -4.12 -1.84 0.18 -1.26 -4.83 117.16 105.29 1fdm n TYR 21 Ca 0.00 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.40 1fdm n TYR 21 Cb 0.00 -0.23 -0.02 0.00 -0.38 0.00 0.00 39.34 38.71 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 -1.23 -2.45 0.00 -3.48 3.06 -1.26 -4.06 119.36 109.94 1fdm n ILE 22 Ca 0.06 -0.59 0.00 0.00 -2.50 0.00 0.00 62.75 59.71 1fdm n ILE 22 Cb 0.08 -2.07 0.00 0.00 0.54 0.00 0.00 39.64 38.19 1fdm n ILE 22 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1fdm n GLY 23 N -2.22 0.54 1.64 4.50 0.00 0.25 -2.33 105.19 107.57 1fdm n GLY 23 Ca -0.20 0.28 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 1fdm n GLY 23 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1fdm n TYR 24 N 0.00 -0.40 -0.10 1.61 4.19 -1.22 -4.94 117.16 116.30 1fdm n TYR 24 Ca 0.00 -0.34 -0.09 0.00 3.31 0.00 0.00 57.90 60.78 1fdm n TYR 24 Cb 0.00 0.72 -0.16 0.00 0.49 0.00 0.00 39.34 40.39 1fdm n TYR 24 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1fdm n ALA 25 N -0.30 1.54 0.28 2.98 0.00 -0.98 -4.12 120.51 119.91 1fdm n ALA 25 Ca -0.04 -1.32 0.15 0.00 0.00 0.00 0.00 53.44 52.23 1fdm n ALA 25 Cb 0.56 -0.19 0.81 0.00 0.00 0.00 0.00 19.45 20.63 1fdm n ALA 25 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1fdm h TRP 26 N 0.00 0.00 0.25 0.00 0.09 -1.83 0.14 115.95 114.61 1fdm h TRP 26 Ca -0.53 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 58.43 1fdm h TRP 26 Cb 2.21 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.46 1fdm h TRP 26 CO 0.00 0.08 -0.12 0.00 0.09 0.00 0.00 178.44 178.49 1fdm h ALA 27 N 1.92 -0.34 -0.07 0.11 0.00 -1.90 -2.94 119.26 116.03 1fdm h ALA 27 Ca -0.00 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1fdm h ALA 27 Cb 0.26 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1fdm h ALA 27 CO 0.01 -0.32 0.22 1.98 0.00 0.00 0.00 179.25 181.15 1fdm h MET 28 N -1.06 0.00 -0.09 0.00 4.05 -1.68 -0.12 114.93 116.02 1fdm h MET 28 Ca -0.03 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1fdm h MET 28 Cb 0.26 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 1fdm h MET 28 CO 0.06 0.00 0.02 0.28 0.23 0.00 0.00 176.91 177.50 1fdm h VAL 29 N 0.00 0.97 0.00 -5.77 2.07 -0.54 -1.90 116.25 111.08 1fdm h VAL 29 Ca 0.03 -0.02 -0.11 0.00 0.82 0.00 0.00 66.70 67.42 1fdm h VAL 29 Cb 0.48 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1fdm h VAL 29 CO -0.00 0.01 -0.53 0.58 0.02 0.00 0.00 177.57 177.65 1fdm h VAL 30 N 0.06 1.34 0.16 2.57 2.07 -0.95 -2.95 116.25 118.57 1fdm h VAL 30 Ca 0.04 -1.85 0.01 0.00 0.82 0.00 0.00 66.70 65.72 1fdm h VAL 30 Cb 0.03 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 1fdm h VAL 30 CO -0.05 0.52 -0.24 0.58 0.02 0.00 0.00 177.57 178.40 1fdm h VAL 31 N 0.00 0.47 -0.03 2.57 2.07 -0.98 -1.68 116.25 118.66 1fdm h VAL 31 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1fdm h VAL 31 Cb 0.97 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1fdm h VAL 31 CO 0.07 0.00 0.01 -0.29 0.02 0.00 0.00 177.57 177.38 1fdm h ILE 32 N -0.47 1.11 -0.46 4.57 6.09 -1.39 0.32 117.51 127.27 1fdm h ILE 32 Ca 0.02 -0.32 0.13 0.00 -1.37 0.00 0.00 64.86 63.32 1fdm h ILE 32 Cb 0.47 1.27 -0.02 0.00 0.47 0.00 0.00 36.82 39.01 1fdm h ILE 32 CO -0.11 0.09 0.67 0.58 -3.07 0.00 0.00 178.15 176.31 1fdm h VAL 33 N -0.08 0.18 -0.05 2.19 2.07 -1.32 1.97 116.25 121.20 1fdm h VAL 33 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1fdm h VAL 33 Cb 0.13 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1fdm h VAL 33 CO -0.00 0.00 -0.03 1.23 0.02 0.00 0.00 177.57 178.79 1fdm h GLY 34 N 0.00 0.12 0.68 2.17 0.00 0.02 -1.06 103.07 105.00 1fdm h GLY 34 Ca 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1fdm h GLY 34 CO -0.00 0.10 -0.14 0.00 0.00 0.00 0.00 176.54 176.50 1fdm h ALA 35 N 0.60 -0.38 0.18 3.60 0.00 0.32 0.33 119.26 123.91 1fdm h ALA 35 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1fdm h ALA 35 Cb 0.48 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1fdm h ALA 35 CO 0.01 -0.55 -0.36 1.15 0.00 0.00 0.00 179.25 179.49 1fdm h THR 36 N -0.70 0.00 0.00 0.00 2.02 -0.32 0.96 112.91 114.87 1fdm h THR 36 Ca -0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1fdm h THR 36 Cb 0.48 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1fdm h THR 36 CO 0.06 0.00 0.00 0.40 0.37 0.00 0.00 175.52 176.35 1fdm h ILE 37 N -0.59 0.00 0.13 3.11 2.04 -1.27 -1.79 117.51 119.14 1fdm h ILE 37 Ca -0.02 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1fdm h ILE 37 Cb 0.56 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1fdm h ILE 37 CO -0.15 0.00 -0.06 1.23 0.00 0.00 0.00 178.15 179.17 1fdm h GLY 38 N 0.81 -0.18 2.00 5.37 0.00 0.21 -2.89 103.07 108.39 1fdm h GLY 38 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1fdm h GLY 38 CO 0.00 -0.07 0.00 1.39 0.00 0.00 0.00 176.54 177.86 1fdm n ILE 39 N -2.92 1.21 0.11 2.60 5.41 -0.47 -1.39 119.36 123.92 1fdm n ILE 39 Ca -0.02 0.63 -0.04 0.00 1.00 0.00 0.00 62.75 64.32 1fdm n ILE 39 Cb 0.07 -1.62 -0.02 0.00 -0.71 0.00 0.00 39.64 37.36 1fdm n ILE 39 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1fdm h LYS 40 N 0.00 -0.28 0.00 0.38 1.79 -1.15 -1.36 116.57 115.95 1fdm h LYS 40 Ca 0.00 0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.40 1fdm h LYS 40 Cb 0.04 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 1fdm h LYS 40 CO 0.00 -0.19 -0.43 -0.07 -1.08 0.00 0.00 179.45 177.68 1fdm h LEU 41 N -0.34 0.00 0.86 2.94 -0.00 -1.32 -2.23 115.31 115.22 1fdm h LEU 41 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.81 1fdm h LEU 41 Cb 0.22 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.89 1fdm h LEU 41 CO 0.05 0.43 -0.41 -0.26 -0.00 0.00 0.00 178.44 178.25 1fdm h PHE 42 N 0.00 -1.07 0.00 1.13 0.04 -1.25 -2.53 116.94 113.26 1fdm h PHE 42 Ca -0.00 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 1fdm h PHE 42 Cb 0.86 0.35 -0.00 0.00 2.20 0.00 0.00 35.95 39.36 1fdm h PHE 42 CO 0.00 -0.66 -0.08 0.87 -0.60 0.00 0.00 178.31 177.84 1fdm h LYS 43 N -1.22 0.00 0.00 1.51 1.79 -1.27 -1.28 116.57 116.10 1fdm h LYS 43 Ca -0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1fdm h LYS 43 Cb 0.89 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1fdm h LYS 43 CO 0.19 0.08 0.00 1.17 -1.08 0.00 0.00 179.45 179.82 1fdm n LYS 44 N -3.35 0.25 -0.28 3.15 4.81 -0.84 -1.37 118.16 120.52 1fdm n LYS 44 Ca -0.01 0.10 -0.04 0.00 -0.87 0.00 0.00 58.31 57.49 1fdm n LYS 44 Cb 0.26 -1.50 0.03 0.00 0.02 0.00 0.00 35.03 33.83 1fdm n LYS 44 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1fdm n PHE 45 N -1.32 0.49 -2.15 5.64 7.35 -0.48 -4.68 117.46 122.31 1fdm n PHE 45 Ca 0.09 -0.83 0.00 0.00 -0.76 0.00 0.00 57.45 55.95 1fdm n PHE 45 Cb 0.17 -0.42 0.00 0.00 0.35 0.00 0.00 39.48 39.58 1fdm n PHE 45 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1fdm n THR 46 N 0.41 0.00 -0.04 -2.13 -1.04 -1.20 -4.99 114.28 105.29 1fdm n THR 46 Ca 0.10 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.03 1fdm n THR 46 Cb 0.65 -1.40 -0.04 0.00 -1.82 0.00 0.00 70.33 67.73 1fdm n THR 46 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1fdm n SER 47 N 1.11 2.50 -0.49 8.00 2.88 -0.47 -4.90 113.62 122.25 1fdm n SER 47 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1fdm n SER 47 Cb 0.44 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1fdm n SER 47 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1fdm n LYS 48 N -2.95 0.00 -3.09 -1.46 5.02 -0.99 -5.03 118.16 109.65 1fdm n LYS 48 Ca -0.16 -0.24 -0.12 0.00 -2.02 0.00 0.00 58.31 55.77 1fdm n LYS 48 Cb 0.65 -0.12 0.06 0.00 -0.02 0.00 0.00 35.03 35.60 1fdm n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fdm n ALA 49 N 0.00 -2.34 -0.41 7.82 0.00 -1.24 -5.01 120.51 119.33 1fdm n ALA 49 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1fdm n ALA 49 Cb 0.55 -4.94 0.00 0.00 0.00 0.00 0.00 19.45 15.06 1fdm n ALA 49 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95