#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fdm n GLU 2 N 0.00 -3.32 0.09 0.00 4.07 -1.26 -4.62 120.64 115.60 1fdm n GLU 2 Ca 0.00 0.40 0.00 0.00 -0.06 0.00 0.00 57.16 57.50 1fdm n GLU 2 Cb 0.00 -5.13 0.00 0.00 -0.06 0.00 0.00 31.44 26.25 1fdm n GLU 2 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1fdm n GLY 3 N -1.29 -0.67 3.93 8.31 0.00 -1.26 -5.12 105.19 109.09 1fdm n GLY 3 Ca 0.04 0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1fdm n GLY 3 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fdm s ASP 4 N -3.59 4.87 0.15 1.61 1.11 -1.26 -5.10 116.67 114.46 1fdm s ASP 4 Ca 0.00 0.49 -0.06 0.00 0.18 0.00 0.00 52.55 53.16 1fdm s ASP 4 Cb 0.00 -1.16 -0.02 0.00 1.07 0.00 0.00 42.92 42.81 1fdm s ASP 4 CO 0.00 -1.56 0.20 1.51 1.18 0.00 0.00 175.17 176.50 1fdm s ASP 5 N -4.50 0.13 -0.01 0.27 1.47 -1.26 -4.95 116.67 107.83 1fdm s ASP 5 Ca 0.60 -0.99 -0.03 0.00 1.18 0.00 0.00 52.55 53.31 1fdm s ASP 5 Cb -0.11 0.39 -0.11 0.00 -0.34 0.00 0.00 42.92 42.75 1fdm s ASP 5 CO 0.45 -0.84 2.72 -0.81 0.68 0.00 0.00 175.17 177.37 1fdm n PRO 6 N -0.17 1.46 0.00 2.11 -0.04 -1.26 -3.48 135.00 133.62 1fdm n PRO 6 Ca -0.07 -0.48 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 1fdm n PRO 6 Cb 0.63 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1fdm n PRO 6 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fdm n ALA 7 N 1.91 1.19 0.20 0.55 0.00 -1.26 -4.90 120.51 118.21 1fdm n ALA 7 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.73 1fdm n ALA 7 Cb 0.68 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.76 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 0.00 0.04 0.00 0.00 3.11 -2.00 -2.27 116.57 115.46 1fdm h LYS 8 Ca 0.00 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1fdm h LYS 8 Cb 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.22 1fdm h LYS 8 CO 0.00 0.03 0.00 0.00 -2.81 0.00 0.00 179.45 176.67 1fdm n ALA 9 N -2.55 0.00 -0.22 5.00 0.00 -1.23 -2.42 120.51 119.09 1fdm n ALA 9 Ca -0.01 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.71 1fdm n ALA 9 Cb 0.16 0.06 0.68 0.00 0.00 0.00 0.00 19.45 20.35 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 -2.10 2.75 -0.58 0.00 0.00 -1.80 -0.90 119.26 116.63 1fdm h ALA 10 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1fdm h ALA 10 Cb 0.00 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 17.73 1fdm h ALA 10 CO 0.00 -1.04 -0.32 0.35 0.00 0.00 0.00 179.25 178.24 1fdm h PHE 11 N 0.09 -0.89 -0.52 0.00 3.57 -1.09 0.67 116.94 118.76 1fdm h PHE 11 Ca 0.46 0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.91 1fdm h PHE 11 Cb 1.70 0.48 -0.02 0.00 2.79 0.00 0.00 35.95 40.90 1fdm h PHE 11 CO -0.00 -0.38 -0.15 0.38 -2.23 0.00 0.00 178.31 175.93 1fdm h ASP 12 N -0.16 1.03 0.00 0.41 3.04 -0.81 -2.29 116.42 117.64 1fdm h ASP 12 Ca 0.23 -0.37 0.00 0.00 -3.24 0.00 0.00 57.03 53.65 1fdm h ASP 12 Cb 0.55 -0.28 0.00 0.00 -1.04 0.00 0.00 39.33 38.55 1fdm h ASP 12 CO -0.67 1.17 0.00 -1.20 -2.04 0.00 0.00 179.24 176.50 1fdm n SER 13 N -4.14 0.00 -0.58 4.15 7.64 0.51 -2.28 113.62 118.93 1fdm n SER 13 Ca 0.01 0.60 0.45 0.00 1.01 0.00 0.00 58.87 60.94 1fdm n SER 13 Cb 0.43 -0.20 0.72 0.00 -1.01 0.00 0.00 64.21 64.15 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 -1.10 0.09 0.53 -3.43 -0.00 0.20 0.59 117.00 113.88 1fdm n LEU 14 Ca 0.00 1.11 -0.21 0.00 -0.00 0.00 0.00 56.01 56.91 1fdm n LEU 14 Cb 0.00 -0.55 -0.10 0.00 -0.00 0.00 0.00 43.42 42.77 1fdm n LEU 14 CO 0.00 -1.16 0.54 1.56 -0.00 0.00 0.00 177.39 178.33 1fdm h GLN 15 N 0.00 -1.31 0.00 1.47 1.08 -1.25 -1.25 115.11 113.85 1fdm h GLN 15 Ca 0.87 0.09 0.00 0.00 -1.45 0.00 0.00 58.65 58.16 1fdm h GLN 15 Cb 3.20 0.30 0.00 0.00 -0.05 0.00 0.00 27.48 30.93 1fdm h GLN 15 CO -0.20 -0.87 0.16 0.00 -0.95 0.00 0.00 178.83 176.97 1fdm h ALA 16 N -1.35 1.12 -0.06 3.87 0.00 0.59 -2.16 119.26 121.28 1fdm h ALA 16 Ca -0.14 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1fdm h ALA 16 Cb 1.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1fdm h ALA 16 CO 0.22 -0.12 0.05 0.45 0.00 0.00 0.00 179.25 179.84 1fdm n SER 17 N -2.35 4.78 -3.77 0.00 2.88 -0.47 -4.24 113.62 110.44 1fdm n SER 17 Ca -0.01 -2.37 -0.31 0.00 -1.33 0.00 0.00 58.87 54.85 1fdm n SER 17 Cb 0.20 -0.95 0.02 0.00 -0.75 0.00 0.00 64.21 62.73 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 1.09 -2.65 -0.25 -1.46 0.00 -0.82 -4.85 120.51 111.56 1fdm n ALA 18 Ca 0.03 -0.33 0.07 0.00 0.00 0.00 0.00 53.44 53.21 1fdm n ALA 18 Cb 0.53 -2.31 0.20 0.00 0.00 0.00 0.00 19.45 17.86 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 -3.70 1.06 0.12 0.00 5.66 -1.16 -4.81 114.28 111.45 1fdm n THR 19 Ca -0.16 -1.03 0.00 0.00 -3.05 0.00 0.00 64.05 59.81 1fdm n THR 19 Cb 0.61 0.47 0.00 0.00 -1.55 0.00 0.00 70.33 69.86 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 0.74 0.00 0.00 1.09 4.07 -1.26 -5.02 120.64 120.26 1fdm n GLU 20 Ca 0.15 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 1fdm n GLU 20 Cb 0.49 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.87 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 -3.00 0.00 1.35 4.31 0.18 -1.26 -4.92 117.16 113.82 1fdm n TYR 21 Ca 0.00 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.91 1fdm n TYR 21 Cb 0.00 0.00 0.41 0.00 -0.38 0.00 0.00 39.34 39.37 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 0.00 0.32 -3.48 3.06 -1.26 -3.76 119.36 114.24 1fdm n ILE 22 Ca 0.00 -0.26 0.16 0.00 -2.50 0.00 0.00 62.75 60.15 1fdm n ILE 22 Cb 0.00 0.65 0.84 0.00 0.54 0.00 0.00 39.64 41.67 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 4.85 0.00 -1.36 4.50 0.00 -1.79 -1.67 103.07 107.59 1fdm h GLY 23 Ca 0.00 0.00 0.39 0.00 0.00 0.00 0.00 47.33 47.72 1fdm h GLY 23 CO 0.00 0.00 1.23 1.58 0.00 0.00 0.00 176.54 179.35 1fdm n TYR 24 N -2.84 0.00 0.00 5.60 0.18 -1.25 -3.64 117.16 115.21 1fdm n TYR 24 Ca -0.02 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.76 1fdm n TYR 24 Cb 0.32 -0.34 0.00 0.00 -0.38 0.00 0.00 39.34 38.94 1fdm n TYR 24 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1fdm n ALA 25 N -2.48 0.00 -1.87 -3.48 0.00 -0.64 -5.00 120.51 107.04 1fdm n ALA 25 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.73 1fdm n ALA 25 Cb 1.64 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 21.08 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 -0.21 0.00 4.27 -1.19 -4.94 117.44 115.37 1fdm n TRP 26 Ca 0.00 -0.09 -0.08 0.00 -3.89 0.00 0.00 57.50 53.45 1fdm n TRP 26 Cb 0.00 0.28 0.03 0.00 -1.36 0.00 0.00 31.31 30.26 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 0.76 -0.23 -1.67 0.00 -1.91 -1.20 119.26 115.01 1fdm h ALA 27 Ca -0.10 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1fdm h ALA 27 Cb 0.95 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1fdm h ALA 27 CO -0.05 0.39 0.17 0.52 0.00 0.00 0.00 179.25 180.27 1fdm h MET 28 N 0.81 0.00 -0.37 0.00 2.86 -1.92 -1.82 114.93 114.49 1fdm h MET 28 Ca 0.19 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.89 1fdm h MET 28 Cb 0.23 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.84 1fdm h MET 28 CO -0.01 0.00 0.08 0.28 1.06 0.00 0.00 176.91 178.31 1fdm h VAL 29 N 0.00 0.82 -0.19 -2.22 2.07 -1.59 -1.24 116.25 113.89 1fdm h VAL 29 Ca 0.11 -0.07 -0.10 0.00 0.82 0.00 0.00 66.70 67.46 1fdm h VAL 29 Cb 0.45 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1fdm h VAL 29 CO -0.00 0.04 -0.33 1.62 0.02 0.00 0.00 177.57 178.91 1fdm h VAL 30 N 0.20 1.28 0.60 2.57 3.04 -1.37 -2.02 116.25 120.56 1fdm h VAL 30 Ca 0.17 -1.39 -0.02 0.00 -1.01 0.00 0.00 66.70 64.45 1fdm h VAL 30 Cb 0.20 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 1fdm h VAL 30 CO -0.22 0.43 -0.45 0.58 -1.01 0.00 0.00 177.57 176.89 1fdm h VAL 31 N 0.34 0.10 0.04 1.51 2.07 -1.00 -1.36 116.25 117.95 1fdm h VAL 31 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 1fdm h VAL 31 Cb 0.75 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1fdm h VAL 31 CO 0.06 0.00 -0.02 -0.29 0.02 0.00 0.00 177.57 177.34 1fdm h ILE 32 N -1.02 1.01 -0.47 4.57 2.10 -1.37 0.43 117.51 122.76 1fdm h ILE 32 Ca -0.07 -0.16 0.14 0.00 1.08 0.00 0.00 64.86 65.84 1fdm h ILE 32 Cb 0.85 1.11 -0.02 0.00 -1.09 0.00 0.00 36.82 37.68 1fdm h ILE 32 CO 0.02 0.04 0.70 0.58 -1.08 0.00 0.00 178.15 178.41 1fdm h VAL 33 N -0.13 0.16 0.03 2.19 2.07 -1.24 1.85 116.25 121.18 1fdm h VAL 33 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1fdm h VAL 33 Cb 0.11 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1fdm h VAL 33 CO 0.01 0.00 -0.01 1.23 0.02 0.00 0.00 177.57 178.82 1fdm h GLY 34 N 0.00 -0.04 0.76 2.17 0.00 0.26 -0.37 103.07 105.85 1fdm h GLY 34 Ca 0.22 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 1fdm h GLY 34 CO -0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 176.54 176.34 1fdm h ALA 35 N 0.53 -0.51 0.21 3.60 0.00 0.29 0.13 119.26 123.51 1fdm h ALA 35 Ca -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1fdm h ALA 35 Cb 0.40 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1fdm h ALA 35 CO 0.01 -0.66 -0.34 1.15 0.00 0.00 0.00 179.25 179.40 1fdm h THR 36 N -0.75 0.00 0.00 0.00 2.02 -0.54 0.13 112.91 113.76 1fdm h THR 36 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1fdm h THR 36 Cb 0.52 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1fdm h THR 36 CO 0.09 0.00 0.03 0.40 0.37 0.00 0.00 175.52 176.41 1fdm h ILE 37 N -0.58 0.00 0.12 3.11 1.08 -1.14 0.16 117.51 120.26 1fdm h ILE 37 Ca -0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 1fdm h ILE 37 Cb 0.54 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 34.86 1fdm h ILE 37 CO -0.11 0.00 -0.06 1.23 -0.69 0.00 0.00 178.15 178.52 1fdm h GLY 38 N 0.00 -0.17 1.94 5.37 0.00 0.20 -1.94 103.07 108.46 1fdm h GLY 38 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1fdm h GLY 38 CO 0.00 -0.06 0.00 4.51 0.00 0.00 0.00 176.54 180.99 1fdm n ILE 39 N -2.76 1.21 0.09 2.60 3.06 -0.66 -1.79 119.36 121.12 1fdm n ILE 39 Ca -0.02 0.30 -0.04 0.00 -2.50 0.00 0.00 62.75 60.49 1fdm n ILE 39 Cb 0.06 -1.12 -0.02 0.00 0.54 0.00 0.00 39.64 39.10 1fdm n ILE 39 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 1fdm h LYS 40 N 0.00 -0.27 -0.69 9.51 3.11 -0.51 -0.81 116.57 126.90 1fdm h LYS 40 Ca 0.00 0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.80 1fdm h LYS 40 Cb 0.17 0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.43 1fdm h LYS 40 CO 0.00 -0.18 0.19 1.25 -2.81 0.00 0.00 179.45 177.90 1fdm h LEU 41 N -0.62 1.03 0.75 5.20 6.46 -1.29 -2.53 115.31 124.31 1fdm h LEU 41 Ca -0.03 -0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 57.48 1fdm h LEU 41 Cb 0.22 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 1fdm h LEU 41 CO 0.05 0.98 -0.39 -0.26 -0.62 0.00 0.00 178.44 178.19 1fdm h PHE 42 N 1.03 -1.02 -1.08 1.25 -1.00 -1.47 -1.02 116.94 113.63 1fdm h PHE 42 Ca 0.22 -0.02 0.30 0.00 2.81 0.00 0.00 57.97 61.28 1fdm h PHE 42 Cb 0.33 0.35 -0.07 0.00 3.61 0.00 0.00 35.95 40.17 1fdm h PHE 42 CO 0.03 -0.62 0.73 -0.22 -1.61 0.00 0.00 178.31 176.62 1fdm h LYS 43 N -1.05 0.20 -0.24 1.51 3.64 -1.07 0.44 116.57 120.01 1fdm h LYS 43 Ca -0.10 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.08 1fdm h LYS 43 Cb 0.82 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1fdm h LYS 43 CO 0.15 0.13 -0.58 0.87 -2.27 0.00 0.00 179.45 177.75 1fdm h LYS 44 N 0.21 0.77 -0.98 1.90 6.56 -0.90 -3.03 116.57 121.10 1fdm h LYS 44 Ca 0.57 -0.50 0.16 0.00 -1.06 0.00 0.00 60.65 59.81 1fdm h LYS 44 Cb 1.81 0.07 -0.09 0.00 -0.57 0.00 0.00 32.23 33.45 1fdm h LYS 44 CO -0.17 1.13 0.62 0.35 -2.06 0.00 0.00 179.45 179.32 1fdm h PHE 45 N 0.58 1.04 -0.14 -1.35 3.04 0.12 0.37 116.94 120.60 1fdm h PHE 45 Ca 0.00 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.85 1fdm h PHE 45 Cb 1.17 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.35 1fdm h PHE 45 CO 0.07 0.33 -0.50 1.79 -2.02 0.00 0.00 178.31 177.97 1fdm h THR 46 N 0.83 1.33 -3.14 4.41 1.35 -1.41 -3.39 112.91 112.90 1fdm h THR 46 Ca 0.52 -1.74 -0.21 0.00 -0.55 0.00 0.00 66.41 64.44 1fdm h THR 46 Cb 0.73 1.78 -0.30 0.00 -1.73 0.00 0.00 68.15 68.63 1fdm h THR 46 CO -0.30 0.53 -0.53 -0.44 -0.25 0.00 0.00 175.52 174.53 1fdm s SER 47 N -6.89 -0.20 -1.39 5.36 0.01 0.36 -4.82 113.70 106.13 1fdm s SER 47 Ca -0.06 0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.63 1fdm s SER 47 Cb 0.12 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1fdm s SER 47 CO 0.81 -0.15 0.00 0.29 0.41 0.00 0.00 173.24 174.60 1fdm n LYS 48 N 4.05 -1.13 -1.50 12.44 5.02 -1.22 -4.33 118.16 131.49 1fdm n LYS 48 Ca -0.24 0.83 -0.40 0.00 -2.02 0.00 0.00 58.31 56.49 1fdm n LYS 48 Cb 0.53 -5.09 -0.15 0.00 -0.02 0.00 0.00 35.03 30.31 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 -0.60 0.35 -0.09 7.82 0.00 0.10 -4.78 120.51 123.31 1fdm n ALA 49 Ca -0.17 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1fdm n ALA 49 Cb 0.58 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1fdm n ALA 49 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93