#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 0.87 -0.44 0.00 2.02 -1.26 -4.98 118.70 114.92 1fdm s GLU 2 Ca 0.00 -1.69 0.06 0.00 0.02 0.00 0.00 54.97 53.36 1fdm s GLU 2 Cb 0.00 -1.69 0.42 0.00 0.10 0.00 0.00 34.13 32.96 1fdm s GLU 2 CO 0.00 -1.22 1.10 0.41 0.02 0.00 0.00 175.26 175.57 1fdm n GLY 3 N 3.69 5.71 2.93 -1.39 0.00 -1.26 -5.02 105.19 109.84 1fdm n GLY 3 Ca 0.13 -2.67 -0.16 0.00 0.00 0.00 0.00 46.02 43.32 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 -3.51 0.59 -0.39 1.61 2.15 -1.26 -5.07 116.67 110.79 1fdm s ASP 4 Ca 0.47 -0.08 0.08 0.00 0.43 0.00 0.00 52.55 53.45 1fdm s ASP 4 Cb 0.40 -0.13 0.26 0.00 -0.30 0.00 0.00 42.92 43.15 1fdm s ASP 4 CO -0.17 0.02 0.56 0.47 -0.17 0.00 0.00 175.17 175.87 1fdm n ASP 5 N 3.26 0.16 -4.10 -0.34 8.00 -1.26 -4.97 116.55 117.30 1fdm n ASP 5 Ca -0.16 -2.75 -0.41 0.00 0.71 0.00 0.00 54.79 52.18 1fdm n ASP 5 Cb 0.56 -0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 41.08 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 1.28 2.73 -2.27 -0.24 -0.04 -1.26 -3.94 135.00 131.26 1fdm n PRO 6 Ca 0.21 -2.76 -0.05 0.00 -0.04 0.00 0.00 63.50 60.87 1fdm n PRO 6 Cb 0.55 -3.36 0.00 0.00 -0.04 0.00 0.00 33.50 30.65 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 7.77 -0.18 0.28 0.55 0.00 -1.26 -4.89 120.51 122.78 1fdm n ALA 7 Ca 0.50 0.05 0.12 0.00 0.00 0.00 0.00 53.44 54.12 1fdm n ALA 7 Cb 0.42 -1.10 0.58 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.17 0.00 0.00 0.00 3.64 -1.94 -2.26 116.57 115.84 1fdm h LYS 8 Ca -0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1fdm h LYS 8 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1fdm h LYS 8 CO 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.31 1fdm n ALA 9 N -1.81 0.00 -0.16 5.00 0.00 -1.26 -1.44 120.51 120.84 1fdm n ALA 9 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1fdm n ALA 9 Cb 0.14 0.05 -0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -2.06 0.62 -0.93 0.00 0.00 -1.99 -2.74 119.26 112.16 1fdm h ALA 10 Ca 0.00 -0.29 0.25 0.00 0.00 0.00 0.00 54.91 54.87 1fdm h ALA 10 Cb 0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 17.79 17.45 1fdm h ALA 10 CO 0.00 0.44 0.06 0.35 0.00 0.00 0.00 179.25 180.10 1fdm h PHE 11 N 0.67 0.01 -0.43 0.00 3.57 -1.49 1.50 116.94 120.77 1fdm h PHE 11 Ca 0.13 0.07 -0.14 0.00 3.53 0.00 0.00 57.97 61.55 1fdm h PHE 11 Cb 0.54 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1fdm h PHE 11 CO 0.04 -0.37 -0.28 0.22 -2.23 0.00 0.00 178.31 175.69 1fdm h ASP 12 N 0.05 0.98 0.00 0.41 3.58 -1.03 -1.70 116.42 118.72 1fdm h ASP 12 Ca 0.56 -0.40 0.00 0.00 0.42 0.00 0.00 57.03 57.61 1fdm h ASP 12 Cb 1.14 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.92 1fdm h ASP 12 CO -0.84 1.19 0.00 -1.20 -2.88 0.00 0.00 179.24 175.51 1fdm n SER 13 N -4.09 0.00 -0.22 2.28 7.64 0.45 -0.45 113.62 119.23 1fdm n SER 13 Ca -0.01 0.41 -0.06 0.00 1.01 0.00 0.00 58.87 60.23 1fdm n SER 13 Cb 0.49 -0.25 -0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 -1.29 -1.26 -3.43 3.38 0.03 0.54 115.31 113.29 1fdm h LEU 14 Ca 0.00 0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.22 1fdm h LEU 14 Cb 0.00 0.63 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1fdm h LEU 14 CO 0.00 -0.31 0.50 -0.61 0.09 0.00 0.00 178.44 178.11 1fdm h GLN 15 N -0.17 0.99 0.00 1.13 5.75 -1.37 -3.09 115.11 118.35 1fdm h GLN 15 Ca 0.23 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 1fdm h GLN 15 Cb 0.56 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.88 1fdm h GLN 15 CO -0.71 0.66 0.00 0.00 -2.65 0.00 0.00 178.83 176.12 1fdm n ALA 16 N -2.42 -0.12 -2.14 3.38 0.00 0.19 -1.32 120.51 118.08 1fdm n ALA 16 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 1fdm n ALA 16 Cb 0.04 0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1fdm n ALA 16 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1fdm n SER 17 N -2.42 4.40 -1.56 0.00 7.64 -1.00 -3.31 113.62 117.36 1fdm n SER 17 Ca 0.00 -2.88 -0.11 0.00 1.01 0.00 0.00 58.87 56.88 1fdm n SER 17 Cb 0.00 -1.70 0.19 0.00 -1.01 0.00 0.00 64.21 61.70 1fdm n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fdm n ALA 18 N 7.11 4.79 -0.21 -0.43 0.00 -0.90 -4.93 120.51 125.94 1fdm n ALA 18 Ca 0.50 -3.05 0.00 0.00 0.00 0.00 0.00 53.44 50.89 1fdm n ALA 18 Cb 0.42 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.12 0.00 0.00 0.00 5.66 -1.26 -3.36 114.28 114.19 1fdm n THR 19 Ca 0.43 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.43 1fdm n THR 19 Cb 1.27 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.05 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 -2.60 120.64 117.87 1fdm n GLU 20 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.26 1fdm n GLU 20 Cb 0.00 0.00 0.56 0.00 0.00 0.00 0.00 31.44 32.00 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 -4.01 -1.84 0.18 -1.26 -4.85 117.16 105.38 1fdm n TYR 21 Ca 0.00 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.49 1fdm n TYR 21 Cb 0.00 -0.10 -0.01 0.00 -0.38 0.00 0.00 39.34 38.85 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 -1.10 -2.47 -2.17 -3.48 3.06 -1.07 -1.39 119.36 110.74 1fdm n ILE 22 Ca 0.13 -0.30 -0.03 0.00 -2.50 0.00 0.00 62.75 60.05 1fdm n ILE 22 Cb 0.10 -2.49 -0.00 0.00 0.54 0.00 0.00 39.64 37.79 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 -1.76 -0.38 4.08 4.50 0.00 -0.43 -0.66 105.19 110.54 1fdm n GLY 23 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.02 -1.22 0.00 1.61 4.19 -0.49 -4.54 117.16 114.69 1fdm n TYR 24 Ca 0.01 0.13 0.00 0.00 3.31 0.00 0.00 57.90 61.34 1fdm n TYR 24 Cb 0.38 -2.50 0.00 0.00 0.49 0.00 0.00 39.34 37.71 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 -4.65 0.72 -0.17 2.98 0.00 0.17 -4.66 120.51 114.90 1fdm n ALA 25 Ca -0.13 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.56 1fdm n ALA 25 Cb 0.53 0.02 0.39 0.00 0.00 0.00 0.00 19.45 20.39 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 -0.49 0.00 0.00 0.00 -0.00 -1.24 -0.90 117.44 114.81 1fdm n TRP 26 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1fdm n TRP 26 Cb 0.04 -0.23 0.00 0.00 -0.00 0.00 0.00 31.31 31.12 1fdm n TRP 26 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1fdm n ALA 27 N -2.16 2.99 -0.32 -1.67 0.00 -1.26 -4.70 120.51 113.38 1fdm n ALA 27 Ca 0.21 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.98 1fdm n ALA 27 Cb 1.44 0.00 0.71 0.00 0.00 0.00 0.00 19.45 21.60 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 0.00 0.07 0.03 0.00 4.05 -1.84 -0.23 114.93 117.01 1fdm h MET 28 Ca 0.00 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1fdm h MET 28 Cb 0.00 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 1fdm h MET 28 CO 0.00 0.05 -0.10 -0.24 0.23 0.00 0.00 176.91 176.85 1fdm h VAL 29 N 0.07 0.77 0.32 -5.77 3.04 -1.29 -0.54 116.25 112.85 1fdm h VAL 29 Ca 0.57 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 66.25 1fdm h VAL 29 Cb 2.13 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 32.17 1fdm h VAL 29 CO -0.07 0.00 -0.20 0.58 -1.01 0.00 0.00 177.57 176.87 1fdm h VAL 30 N -0.18 0.58 -1.26 1.51 2.07 -1.18 0.33 116.25 118.12 1fdm h VAL 30 Ca 0.03 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.91 1fdm h VAL 30 Cb 0.21 0.58 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 1fdm h VAL 30 CO -0.08 0.00 0.86 0.58 0.02 0.00 0.00 177.57 178.95 1fdm h VAL 31 N -0.50 0.33 0.11 2.57 2.07 -1.28 0.62 116.25 120.18 1fdm h VAL 31 Ca -0.03 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1fdm h VAL 31 Cb 0.42 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1fdm h VAL 31 CO 0.03 0.03 -0.06 -0.29 0.02 0.00 0.00 177.57 177.30 1fdm h ILE 32 N 0.14 1.07 -1.54 4.57 2.10 0.70 -2.18 117.51 122.37 1fdm h ILE 32 Ca 0.67 -0.79 0.45 0.00 1.08 0.00 0.00 64.86 66.27 1fdm h ILE 32 Cb 2.26 1.56 -0.06 0.00 -1.09 0.00 0.00 36.82 39.49 1fdm h ILE 32 CO -0.19 0.19 1.23 0.58 -1.08 0.00 0.00 178.15 178.87 1fdm h VAL 33 N -0.53 0.09 0.36 2.19 2.07 0.12 3.00 116.25 123.55 1fdm h VAL 33 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1fdm h VAL 33 Cb 0.43 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1fdm h VAL 33 CO 0.03 0.00 -0.17 1.23 0.02 0.00 0.00 177.57 178.67 1fdm h GLY 34 N 0.00 -0.50 0.91 2.17 0.00 -1.08 -0.50 103.07 104.07 1fdm h GLY 34 Ca 0.73 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 48.23 1fdm h GLY 34 CO -0.01 -0.18 -0.25 0.00 0.00 0.00 0.00 176.54 176.10 1fdm h ALA 35 N -0.41 -0.63 0.26 3.60 0.00 0.52 -1.69 119.26 120.92 1fdm h ALA 35 Ca -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1fdm h ALA 35 Cb 0.53 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1fdm h ALA 35 CO 0.08 -0.86 -0.47 1.15 0.00 0.00 0.00 179.25 179.15 1fdm h THR 36 N -0.63 0.00 -0.21 0.00 2.02 0.15 0.14 112.91 114.37 1fdm h THR 36 Ca -0.05 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.19 1fdm h THR 36 Cb 0.51 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1fdm h THR 36 CO 0.06 0.00 0.54 0.40 0.37 0.00 0.00 175.52 176.88 1fdm h ILE 37 N -0.78 0.11 0.07 3.11 1.08 -1.07 0.41 117.51 120.44 1fdm h ILE 37 Ca -0.03 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1fdm h ILE 37 Cb 0.73 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 34.99 1fdm h ILE 37 CO -0.17 0.00 -0.03 1.23 -0.69 0.00 0.00 178.15 178.49 1fdm h GLY 38 N 0.00 -0.09 1.69 5.37 0.00 0.20 -2.78 103.07 107.46 1fdm h GLY 38 Ca 0.10 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1fdm h GLY 38 CO -0.00 -0.03 0.00 1.39 0.00 0.00 0.00 176.54 177.89 1fdm n ILE 39 N -4.78 0.70 0.00 2.60 5.41 -0.15 -2.25 119.36 120.89 1fdm n ILE 39 Ca -0.07 0.18 -0.00 0.00 1.00 0.00 0.00 62.75 63.86 1fdm n ILE 39 Cb 0.27 -0.93 -0.00 0.00 -0.71 0.00 0.00 39.64 38.27 1fdm n ILE 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1fdm h LYS 40 N 0.00 -0.01 -0.42 0.38 3.11 -0.12 -0.10 116.57 119.41 1fdm h LYS 40 Ca 0.00 0.00 0.12 0.00 -2.81 0.00 0.00 60.65 57.96 1fdm h LYS 40 Cb 0.17 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.38 1fdm h LYS 40 CO 0.00 -0.00 0.34 1.37 -2.81 0.00 0.00 179.45 178.34 1fdm h LEU 41 N -0.05 0.00 0.00 5.20 8.10 -1.52 1.02 115.31 128.06 1fdm h LEU 41 Ca -0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 1fdm h LEU 41 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.22 1fdm h LEU 41 CO 0.00 0.00 -0.00 0.15 -4.11 0.00 0.00 178.44 174.48 1fdm h PHE 42 N 0.00 -0.00 -0.06 0.17 3.57 -1.55 -3.31 116.94 115.75 1fdm h PHE 42 Ca 0.20 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1fdm h PHE 42 Cb 0.87 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1fdm h PHE 42 CO 0.00 -0.00 0.03 1.17 -2.23 0.00 0.00 178.31 177.28 1fdm n LYS 43 N -2.05 1.14 0.22 1.11 4.81 -0.05 -4.11 118.16 119.23 1fdm n LYS 43 Ca -0.00 -0.22 0.06 0.00 -0.87 0.00 0.00 58.31 57.28 1fdm n LYS 43 Cb 0.00 -1.22 0.49 0.00 0.02 0.00 0.00 35.03 34.33 1fdm n LYS 43 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1fdm h LYS 44 N 0.13 0.00 -0.94 1.64 3.64 0.99 -2.02 116.57 120.02 1fdm h LYS 44 Ca 0.03 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 1fdm h LYS 44 Cb 0.99 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.74 1fdm h LYS 44 CO 0.07 0.26 0.15 1.19 -2.27 0.00 0.00 179.45 178.85 1fdm n PHE 45 N -3.98 1.00 -1.44 1.91 3.01 -1.26 -4.78 117.46 111.93 1fdm n PHE 45 Ca -0.02 -0.72 -0.10 0.00 1.01 0.00 0.00 57.45 57.63 1fdm n PHE 45 Cb 0.33 -0.41 -0.03 0.00 -0.01 0.00 0.00 39.48 39.35 1fdm n PHE 45 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1fdm n THR 46 N 0.02 -0.08 -3.63 4.37 -1.04 -0.76 -4.95 114.28 108.20 1fdm n THR 46 Ca 0.18 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.15 1fdm n THR 46 Cb 0.81 -1.26 -0.04 0.00 -1.82 0.00 0.00 70.33 68.01 1fdm n THR 46 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1fdm s SER 47 N -2.84 -0.09 0.45 8.00 0.01 -1.22 -5.01 113.70 113.00 1fdm s SER 47 Ca 0.00 0.11 0.25 0.00 1.31 0.00 0.00 55.95 57.62 1fdm s SER 47 Cb 0.00 0.08 0.73 0.00 0.21 0.00 0.00 66.02 67.05 1fdm s SER 47 CO 0.00 -0.08 1.75 0.07 0.41 0.00 0.00 173.24 175.38 1fdm h LYS 48 N 2.21 0.00 -0.97 12.44 2.10 -1.87 -3.15 116.57 127.33 1fdm h LYS 48 Ca -0.11 0.00 0.28 0.00 -2.00 0.00 0.00 60.65 58.82 1fdm h LYS 48 Cb 1.18 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.47 1fdm h LYS 48 CO 0.23 0.12 0.86 0.00 -2.00 0.00 0.00 179.45 178.66 1fdm h ALA 49 N 1.88 2.84 -0.00 0.07 0.00 -1.95 -3.45 119.26 118.65 1fdm h ALA 49 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1fdm h ALA 49 Cb 0.85 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1fdm h ALA 49 CO 0.02 -1.36 0.00 0.45 0.00 0.00 0.00 179.25 178.36