#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 4.38 0.00 0.00 2.02 -1.26 -4.88 118.70 118.95 1fdm s GLU 2 Ca 0.00 1.75 0.00 0.00 0.02 0.00 0.00 54.97 56.74 1fdm s GLU 2 Cb 0.00 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.76 1fdm s GLU 2 CO 0.00 -0.38 0.00 0.41 0.02 0.00 0.00 175.26 175.31 1fdm n GLY 3 N 3.34 -1.74 3.18 -1.39 0.00 -1.26 -5.09 105.19 102.22 1fdm n GLY 3 Ca 0.10 0.87 -0.39 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 6.19 0.11 1.61 -4.77 -1.26 -5.03 116.67 113.52 1fdm s ASP 4 Ca 0.00 -3.39 0.05 0.00 -3.30 0.00 0.00 52.55 45.91 1fdm s ASP 4 Cb 0.00 -1.99 -0.04 0.00 -1.09 0.00 0.00 42.92 39.80 1fdm s ASP 4 CO 0.00 -0.29 0.04 -1.81 0.70 0.00 0.00 175.17 173.81 1fdm s ASP 5 N 0.60 5.19 0.00 2.11 1.11 -1.26 -5.06 116.67 119.36 1fdm s ASP 5 Ca 0.25 -0.16 0.00 0.00 0.18 0.00 0.00 52.55 52.82 1fdm s ASP 5 Cb -0.11 -1.28 0.00 0.00 1.07 0.00 0.00 42.92 42.60 1fdm s ASP 5 CO -0.09 0.15 0.04 -0.81 1.18 0.00 0.00 175.17 175.64 1fdm n PRO 6 N 0.33 0.00 0.08 8.23 -0.04 -1.26 -3.16 135.00 139.18 1fdm n PRO 6 Ca -0.10 0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.37 1fdm n PRO 6 Cb 0.53 -0.68 -0.08 0.00 -0.04 0.00 0.00 33.50 33.23 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 -0.15 -1.00 0.55 0.00 -2.02 -2.51 119.26 112.13 1fdm h ALA 7 Ca 0.00 -0.08 0.29 0.00 0.00 0.00 0.00 54.91 55.12 1fdm h ALA 7 Cb 0.00 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 17.71 1fdm h ALA 7 CO 0.00 -0.53 0.57 -0.22 0.00 0.00 0.00 179.25 179.06 1fdm h LYS 8 N -0.25 0.40 -0.27 0.00 3.64 -2.00 -1.15 116.57 116.94 1fdm h LYS 8 Ca -0.02 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1fdm h LYS 8 Cb 0.21 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 1fdm h LYS 8 CO 0.03 0.26 -0.28 0.00 -2.27 0.00 0.00 179.45 177.18 1fdm h ALA 9 N 1.81 -0.49 -0.98 5.00 0.00 -1.40 0.27 119.26 123.48 1fdm h ALA 9 Ca 0.70 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.73 1fdm h ALA 9 Cb 1.50 0.98 -0.08 0.00 0.00 0.00 0.00 17.79 20.19 1fdm h ALA 9 CO -0.56 -0.64 0.62 0.00 0.00 0.00 0.00 179.25 178.67 1fdm h ALA 10 N -0.58 1.56 -0.87 0.00 0.00 -1.33 -1.29 119.26 116.76 1fdm h ALA 10 Ca 0.05 0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.14 1fdm h ALA 10 Cb 0.28 -0.21 -0.17 0.00 0.00 0.00 0.00 17.79 17.70 1fdm h ALA 10 CO -0.33 0.21 -0.23 0.35 0.00 0.00 0.00 179.25 179.25 1fdm h PHE 11 N 0.96 -0.49 -0.46 0.00 3.57 0.13 1.44 116.94 122.09 1fdm h PHE 11 Ca 0.47 0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.96 1fdm h PHE 11 Cb 0.48 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 1fdm h PHE 11 CO -0.00 -0.38 -0.08 -0.44 -2.23 0.00 0.00 178.31 175.18 1fdm h ASP 12 N -0.00 0.80 0.00 0.41 5.19 -0.61 -1.72 116.42 120.49 1fdm h ASP 12 Ca 0.41 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1fdm h ASP 12 Cb 0.64 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1fdm h ASP 12 CO -0.90 0.92 0.00 -1.20 -3.12 0.00 0.00 179.24 174.94 1fdm n SER 13 N -4.17 0.00 -0.28 6.45 7.64 0.43 -1.12 113.62 122.56 1fdm n SER 13 Ca 0.02 0.28 -0.05 0.00 1.01 0.00 0.00 58.87 60.12 1fdm n SER 13 Cb 0.35 -0.15 -0.00 0.00 -1.01 0.00 0.00 64.21 63.40 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 -1.44 -0.08 -3.43 3.38 0.22 0.28 115.31 114.23 1fdm h LEU 14 Ca 0.00 0.27 0.04 0.00 0.09 0.00 0.00 57.88 58.28 1fdm h LEU 14 Cb 0.00 0.70 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 1fdm h LEU 14 CO 0.00 -0.30 -0.19 -0.61 0.09 0.00 0.00 178.44 177.43 1fdm h GLN 15 N -0.11 -0.26 0.00 1.13 5.75 -1.38 -3.02 115.11 117.21 1fdm h GLN 15 Ca 0.25 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.77 1fdm h GLN 15 Cb 0.56 0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.17 1fdm h GLN 15 CO -0.81 -0.17 0.00 0.00 -2.65 0.00 0.00 178.83 175.20 1fdm n ALA 16 N -2.61 0.00 -2.20 3.38 0.00 0.88 -0.34 120.51 119.61 1fdm n ALA 16 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.09 1fdm n ALA 16 Cb 0.24 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.68 1fdm n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1fdm s SER 17 N -2.68 5.53 0.00 0.00 0.15 -0.51 -1.98 113.70 114.21 1fdm s SER 17 Ca 0.00 -1.56 0.00 0.00 0.70 0.00 0.00 55.95 55.09 1fdm s SER 17 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1fdm s SER 17 CO 0.00 -2.50 0.00 0.00 1.20 0.00 0.00 173.24 171.94 1fdm n ALA 18 N 12.67 0.58 0.00 5.45 0.00 -1.15 -4.70 120.51 133.37 1fdm n ALA 18 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1fdm n ALA 18 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -4.89 114.28 113.79 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 0.00 0.00 0.00 1.09 0.00 -1.26 -3.86 120.64 116.61 1fdm n GLU 20 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.27 1fdm n GLU 20 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 31.44 32.08 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 -3.94 -1.84 0.18 -1.26 -4.85 117.16 105.45 1fdm n TYR 21 Ca 0.00 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.50 1fdm n TYR 21 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 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 -0.97 -2.73 -2.23 -3.48 0.13 -1.25 -1.36 119.36 107.46 1fdm n ILE 22 Ca 0.16 -0.28 -0.02 0.00 -1.10 0.00 0.00 62.75 61.51 1fdm n ILE 22 Cb 0.07 -2.78 -0.00 0.00 -0.84 0.00 0.00 39.64 36.09 1fdm n ILE 22 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1fdm n GLY 23 N -1.71 -0.40 3.92 4.50 0.00 0.54 -0.13 105.19 111.91 1fdm n GLY 23 Ca -0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.11 -1.66 0.00 1.61 4.19 -0.46 -4.36 117.16 114.37 1fdm n TYR 24 Ca 0.01 0.32 0.00 0.00 3.31 0.00 0.00 57.90 61.53 1fdm n TYR 24 Cb 0.40 -2.95 0.00 0.00 0.49 0.00 0.00 39.34 37.28 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 -4.33 1.74 -0.11 2.98 0.00 0.81 -4.51 120.51 117.09 1fdm n ALA 25 Ca -0.14 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.53 1fdm n ALA 25 Cb 0.59 0.17 0.41 0.00 0.00 0.00 0.00 19.45 20.62 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 0.00 0.00 -0.00 -1.81 0.28 115.95 114.41 1fdm h TRP 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1fdm h TRP 26 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.61 1fdm h TRP 26 CO 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 178.44 178.41 1fdm n ALA 27 N -2.15 1.87 -0.23 0.11 0.00 -1.26 -4.57 120.51 114.28 1fdm n ALA 27 Ca 0.19 -0.12 0.01 0.00 0.00 0.00 0.00 53.44 53.52 1fdm n ALA 27 Cb 1.38 0.01 0.12 0.00 0.00 0.00 0.00 19.45 20.96 1fdm n ALA 27 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1fdm h MET 28 N -0.03 0.54 -1.11 0.00 4.05 -1.78 -0.15 114.93 116.44 1fdm h MET 28 Ca 0.00 -0.03 0.31 0.00 -0.28 0.00 0.00 59.70 59.69 1fdm h MET 28 Cb 0.03 -0.12 -0.08 0.00 -0.80 0.00 0.00 31.60 30.63 1fdm h MET 28 CO 0.00 0.35 0.74 -0.24 0.23 0.00 0.00 176.91 178.00 1fdm h VAL 29 N 0.55 0.45 0.16 -5.77 3.04 -0.68 0.67 116.25 114.68 1fdm h VAL 29 Ca 0.33 -0.08 -0.23 0.00 -1.01 0.00 0.00 66.70 65.71 1fdm h VAL 29 Cb 0.35 0.19 0.03 0.00 -2.01 0.00 0.00 31.29 29.85 1fdm h VAL 29 CO -0.27 0.04 -0.99 0.58 -1.01 0.00 0.00 177.57 175.92 1fdm h VAL 30 N 0.24 1.44 0.32 1.51 2.07 -1.10 -2.53 116.25 118.19 1fdm h VAL 30 Ca 0.60 -2.55 -0.00 0.00 0.82 0.00 0.00 66.70 65.57 1fdm h VAL 30 Cb 1.84 3.11 -0.03 0.00 -1.52 0.00 0.00 31.29 34.69 1fdm h VAL 30 CO -0.21 0.74 -0.49 0.58 0.02 0.00 0.00 177.57 178.20 1fdm h VAL 31 N -0.20 0.04 0.03 2.57 2.07 -0.40 -1.01 116.25 119.36 1fdm h VAL 31 Ca -0.17 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1fdm h VAL 31 Cb 1.77 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1fdm h VAL 31 CO 0.19 0.00 -0.01 -0.29 0.02 0.00 0.00 177.57 177.47 1fdm h ILE 32 N -0.87 1.04 -0.46 4.57 2.10 -1.49 0.14 117.51 122.54 1fdm h ILE 32 Ca -0.03 -0.20 0.13 0.00 1.08 0.00 0.00 64.86 65.85 1fdm h ILE 32 Cb 0.80 1.17 -0.02 0.00 -1.09 0.00 0.00 36.82 37.69 1fdm h ILE 32 CO -0.16 0.05 0.72 0.58 -1.08 0.00 0.00 178.15 178.26 1fdm h VAL 33 N -0.12 0.14 -0.00 2.19 2.07 -1.20 2.09 116.25 121.41 1fdm h VAL 33 Ca -0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1fdm h VAL 33 Cb 0.11 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1fdm h VAL 33 CO 0.01 0.00 -0.00 1.23 0.02 0.00 0.00 177.57 178.82 1fdm h GLY 34 N 0.00 0.01 0.84 2.17 0.00 0.41 -0.57 103.07 105.93 1fdm h GLY 34 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1fdm h GLY 34 CO -0.00 0.01 -0.13 0.00 0.00 0.00 0.00 176.54 176.41 1fdm h ALA 35 N 0.49 -0.38 0.72 3.60 0.00 0.35 -0.87 119.26 123.17 1fdm h ALA 35 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1fdm h ALA 35 Cb 0.52 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1fdm h ALA 35 CO 0.00 -0.63 -0.45 1.15 0.00 0.00 0.00 179.25 179.33 1fdm h THR 36 N -0.55 0.09 0.00 0.00 2.02 -0.48 -1.26 112.91 112.75 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 0.40 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1fdm h THR 36 CO 0.06 0.00 0.09 0.40 0.37 0.00 0.00 175.52 176.45 1fdm h ILE 37 N -1.10 0.00 0.01 3.11 1.08 -1.15 0.30 117.51 119.76 1fdm h ILE 37 Ca -0.09 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1fdm h ILE 37 Cb 0.89 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 1fdm h ILE 37 CO 0.09 0.00 -0.01 1.23 -0.69 0.00 0.00 178.15 178.77 1fdm h GLY 38 N 0.00 -0.02 2.00 5.37 0.00 -0.30 -2.72 103.07 107.40 1fdm h GLY 38 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1fdm h GLY 38 CO 0.00 -0.01 0.00 4.51 0.00 0.00 0.00 176.54 181.04 1fdm n ILE 39 N -4.46 1.33 0.02 2.60 3.06 -0.56 -1.53 119.36 119.82 1fdm n ILE 39 Ca -0.00 0.45 -0.01 0.00 -2.50 0.00 0.00 62.75 60.68 1fdm n ILE 39 Cb 0.01 -1.38 -0.01 0.00 0.54 0.00 0.00 39.64 38.80 1fdm n ILE 39 CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 1fdm h LYS 40 N 0.00 -0.09 -0.78 9.51 1.79 -0.40 -1.15 116.57 125.44 1fdm h LYS 40 Ca 0.00 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 1fdm h LYS 40 Cb 0.12 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 1fdm h LYS 40 CO 0.00 -0.06 0.51 1.25 -1.08 0.00 0.00 179.45 180.07 1fdm h LEU 41 N -0.37 0.87 0.82 2.94 6.46 -1.39 0.31 115.31 124.95 1fdm h LEU 41 Ca -0.01 -0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.69 1fdm h LEU 41 Cb 0.07 -0.21 0.01 0.00 -0.73 0.00 0.00 40.66 39.80 1fdm h LEU 41 CO 0.02 0.62 -0.39 -0.26 -0.62 0.00 0.00 178.44 177.80 1fdm h PHE 42 N 1.03 -1.02 0.00 1.25 -1.00 -1.42 -2.05 116.94 113.73 1fdm h PHE 42 Ca 0.30 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.05 1fdm h PHE 42 Cb -0.07 0.34 0.00 0.00 3.61 0.00 0.00 35.95 39.83 1fdm h PHE 42 CO -0.02 -0.63 0.00 1.63 -1.61 0.00 0.00 178.31 177.68 1fdm n LYS 43 N -5.55 0.65 0.18 1.51 4.76 -0.44 -3.01 118.16 116.26 1fdm n LYS 43 Ca -0.15 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.43 1fdm n LYS 43 Cb 0.44 -1.42 0.59 0.00 -1.84 0.00 0.00 35.03 32.81 1fdm n LYS 43 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1fdm h LYS 44 N 0.00 0.00 0.00 1.97 3.64 0.39 -1.73 116.57 120.84 1fdm h LYS 44 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1fdm h LYS 44 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1fdm h LYS 44 CO 0.00 0.00 -1.10 1.97 -2.27 0.00 0.00 179.45 178.05 1fdm n PHE 45 N -2.47 0.00 0.25 1.91 1.16 -1.16 0.96 117.46 118.11 1fdm n PHE 45 Ca 0.01 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.71 1fdm n PHE 45 Cb 0.20 -0.07 0.63 0.00 -1.61 0.00 0.00 39.48 38.64 1fdm n PHE 45 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1fdm h THR 46 N 0.00 0.52 -1.62 1.97 2.02 -1.61 -3.42 112.91 110.78 1fdm h THR 46 Ca -0.04 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1fdm h THR 46 Cb 1.06 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1fdm h THR 46 CO -0.00 0.15 0.00 -1.20 0.37 0.00 0.00 175.52 174.84 1fdm n SER 47 N -3.50 0.00 0.10 4.18 7.64 -0.65 -5.00 113.62 116.38 1fdm n SER 47 Ca -0.01 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.96 1fdm n SER 47 Cb 0.31 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1fdm n SER 47 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1fdm h LYS 48 N 0.00 0.00 -1.22 1.43 2.10 -1.84 -3.34 116.57 113.70 1fdm h LYS 48 Ca 0.00 0.00 0.35 0.00 -2.00 0.00 0.00 60.65 59.00 1fdm h LYS 48 Cb 0.00 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.25 1fdm h LYS 48 CO 0.00 0.06 0.83 0.00 -2.00 0.00 0.00 179.45 178.34 1fdm h ALA 49 N 1.88 2.78 0.00 0.07 0.00 -1.80 -3.49 119.26 118.70 1fdm h ALA 49 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fdm h ALA 49 Cb 1.12 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1fdm h ALA 49 CO 0.01 -1.22 0.00 -1.13 0.00 0.00 0.00 179.25 176.91