#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nh4 h ALA 7 N 0.00 0.64 -0.72 0.00 0.00 -2.05 -2.73 119.26 114.40 1nh4 h ALA 7 Ca 0.00 -0.49 0.14 0.00 0.00 0.00 0.00 54.91 54.55 1nh4 h ALA 7 Cb 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.61 1nh4 h ALA 7 CO 0.00 0.68 0.27 -0.22 0.00 0.00 0.00 179.25 179.98 1nh4 h LYS 8 N 0.55 0.40 -0.09 0.00 3.64 -2.03 0.71 116.57 119.75 1nh4 h LYS 8 Ca 0.02 -0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 1nh4 h LYS 8 Cb 1.06 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1nh4 h LYS 8 CO 0.10 0.26 -0.64 0.00 -2.27 0.00 0.00 179.45 176.90 1nh4 h ALA 9 N 1.53 0.73 -0.16 5.00 0.00 -1.95 0.20 119.26 124.62 1nh4 h ALA 9 Ca 0.39 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1nh4 h ALA 9 Cb 0.59 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1nh4 h ALA 9 CO -0.40 0.74 -0.06 0.00 0.00 0.00 0.00 179.25 179.53 1nh4 h ALA 10 N 1.07 0.22 -0.10 0.00 0.00 -0.62 1.33 119.26 121.15 1nh4 h ALA 10 Ca -0.01 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 1nh4 h ALA 10 Cb 1.18 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1nh4 h ALA 10 CO 0.11 0.01 -0.58 0.35 0.00 0.00 0.00 179.25 179.13 1nh4 h PHE 11 N 0.00 0.78 -0.18 0.00 3.57 0.30 -1.78 116.94 119.64 1nh4 h PHE 11 Ca 0.04 -0.35 -0.20 0.00 3.53 0.00 0.00 57.97 60.99 1nh4 h PHE 11 Cb 0.52 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1nh4 h PHE 11 CO 0.06 1.15 -0.67 0.22 -2.23 0.00 0.00 178.31 176.83 1nh4 h ASP 12 N 0.19 0.81 -0.34 0.41 3.58 -0.63 -1.79 116.42 118.66 1nh4 h ASP 12 Ca -0.04 -0.49 -0.04 0.00 0.42 0.00 0.00 57.03 56.88 1nh4 h ASP 12 Cb 1.23 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 1nh4 h ASP 12 CO 0.12 1.26 0.07 -1.28 -2.88 0.00 0.00 179.24 176.53 1nh4 h SER 13 N 0.50 0.52 -0.15 2.28 0.87 0.17 -1.83 113.55 115.92 1nh4 h SER 13 Ca -0.02 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1nh4 h SER 13 Cb 1.27 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 1nh4 h SER 13 CO 0.13 0.64 0.03 0.25 -0.53 0.00 0.00 176.83 177.35 1nh4 h LEU 14 N 0.39 0.24 -0.92 2.23 5.85 -1.34 0.12 115.31 121.88 1nh4 h LEU 14 Ca 0.10 -0.24 0.11 0.00 0.84 0.00 0.00 57.88 58.69 1nh4 h LEU 14 Cb 0.33 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 1nh4 h LEU 14 CO 0.00 0.42 0.55 -0.61 -0.34 0.00 0.00 178.44 178.47 1nh4 h GLN 15 N 0.04 0.86 -0.03 1.25 4.15 -1.26 0.40 115.11 120.52 1nh4 h GLN 15 Ca 0.05 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1nh4 h GLN 15 Cb 0.28 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1nh4 h GLN 15 CO 0.00 0.57 -0.09 0.00 -1.93 0.00 0.00 178.83 177.38 1nh4 h ALA 16 N 1.50 0.05 0.18 3.38 0.00 -1.15 0.22 119.26 123.45 1nh4 h ALA 16 Ca 0.45 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1nh4 h ALA 16 Cb 0.44 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1nh4 h ALA 16 CO -0.26 -0.07 -0.24 0.77 0.00 0.00 0.00 179.25 179.45 1nh4 h SER 17 N -0.46 -0.65 0.47 0.00 0.02 -0.20 2.07 113.55 114.81 1nh4 h SER 17 Ca -0.00 0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 1nh4 h SER 17 Cb 0.72 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 1nh4 h SER 17 CO 0.02 -0.34 -0.49 0.00 -1.14 0.00 0.00 176.83 174.88 1nh4 h ALA 18 N 0.24 1.17 0.06 3.77 0.00 -0.31 -0.35 119.26 123.84 1nh4 h ALA 18 Ca 0.01 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1nh4 h ALA 18 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1nh4 h ALA 18 CO -0.09 0.62 -0.03 1.15 0.00 0.00 0.00 179.25 180.90 1nh4 h THR 19 N 0.02 1.23 -0.67 0.00 2.02 0.04 -1.81 112.91 113.74 1nh4 h THR 19 Ca -0.00 -1.47 -0.02 0.00 0.77 0.00 0.00 66.41 65.68 1nh4 h THR 19 Cb 0.88 2.12 -0.03 0.00 -1.74 0.00 0.00 68.15 69.38 1nh4 h THR 19 CO 0.06 0.34 0.33 -0.33 0.37 0.00 0.00 175.52 176.29 1nh4 h GLU 20 N -0.80 0.96 -0.56 6.66 5.08 0.33 -2.53 114.58 123.73 1nh4 h GLU 20 Ca -0.01 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.15 1nh4 h GLU 20 Cb 0.62 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1nh4 h GLU 20 CO 0.01 0.76 0.08 1.98 -1.00 0.00 0.00 179.01 180.84 1nh4 h MET 21 N 0.93 0.90 -0.44 2.33 4.05 -1.15 -2.37 114.93 119.18 1nh4 h MET 21 Ca 0.23 -0.22 0.07 0.00 -0.28 0.00 0.00 59.70 59.50 1nh4 h MET 21 Cb 0.11 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 1nh4 h MET 21 CO -0.03 0.85 0.30 0.97 0.23 0.00 0.00 176.91 179.23 1nh4 h ILE 22 N 0.85 0.94 -0.08 1.77 2.10 -0.89 0.02 117.51 122.21 1nh4 h ILE 22 Ca 0.17 -0.11 -0.14 0.00 1.08 0.00 0.00 64.86 65.86 1nh4 h ILE 22 Cb 0.40 0.60 -0.01 0.00 -1.09 0.00 0.00 36.82 36.71 1nh4 h ILE 22 CO 0.01 0.06 -0.57 1.23 -1.08 0.00 0.00 178.15 177.80 1nh4 h GLY 23 N 0.32 0.28 0.86 8.18 0.00 -1.23 -2.79 103.07 108.68 1nh4 h GLY 23 Ca 0.20 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1nh4 h GLY 23 CO -0.04 0.29 0.03 -0.97 0.00 0.00 0.00 176.54 175.85 1nh4 h TYR 24 N 0.19 0.44 -0.12 5.60 0.05 -0.90 0.35 116.97 122.59 1nh4 h TYR 24 Ca -0.00 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1nh4 h TYR 24 Cb 1.06 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.68 1nh4 h TYR 24 CO 0.02 0.54 0.07 0.00 -1.05 0.00 0.00 178.16 177.74 1nh4 h ALA 25 N 0.85 0.15 -0.60 3.88 0.00 -1.42 0.66 119.26 122.78 1nh4 h ALA 25 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1nh4 h ALA 25 Cb 0.34 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1nh4 h ALA 25 CO 0.01 -0.37 0.29 2.35 0.00 0.00 0.00 179.25 181.52 1nh4 h TRP 26 N 0.15 0.86 -0.21 0.00 2.91 -1.44 1.14 115.95 119.36 1nh4 h TRP 26 Ca 0.04 -0.04 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 1nh4 h TRP 26 Cb -0.01 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 28.37 1nh4 h TRP 26 CO -0.08 0.65 -0.02 0.00 -1.03 0.00 0.00 178.44 177.97 1nh4 h ALA 27 N 1.12 0.29 -0.01 2.65 0.00 -0.61 0.60 119.26 123.30 1nh4 h ALA 27 Ca 0.20 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1nh4 h ALA 27 Cb 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1nh4 h ALA 27 CO -0.03 0.03 -0.01 1.98 0.00 0.00 0.00 179.25 181.23 1nh4 h MET 28 N 0.13 0.02 -0.08 0.00 1.85 0.50 -1.31 114.93 116.05 1nh4 h MET 28 Ca 0.06 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.13 1nh4 h MET 28 Cb 0.44 -0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.47 1nh4 h MET 28 CO 0.01 0.46 0.03 0.28 -0.40 0.00 0.00 176.91 177.30 1nh4 h VAL 29 N -0.42 1.15 -0.83 -5.77 2.07 0.13 0.69 116.25 113.28 1nh4 h VAL 29 Ca 0.00 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.13 1nh4 h VAL 29 Cb 0.46 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 1nh4 h VAL 29 CO 0.00 0.13 0.50 0.58 0.02 0.00 0.00 177.57 178.81 1nh4 h VAL 30 N -0.04 1.02 -0.04 2.57 2.07 0.16 1.07 116.25 123.07 1nh4 h VAL 30 Ca 0.03 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1nh4 h VAL 30 Cb 0.18 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1nh4 h VAL 30 CO -0.00 0.17 -0.21 0.58 0.02 0.00 0.00 177.57 178.13 1nh4 h VAL 31 N 0.92 1.48 0.14 2.57 2.07 -1.04 1.00 116.25 123.38 1nh4 h VAL 31 Ca 0.36 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 1nh4 h VAL 31 Cb 0.18 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1nh4 h VAL 31 CO -0.18 0.47 -0.07 0.40 0.02 0.00 0.00 177.57 178.22 1nh4 h ILE 32 N -0.37 0.91 -0.01 4.57 2.04 0.74 4.46 117.51 129.84 1nh4 h ILE 32 Ca -0.02 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 1nh4 h ILE 32 Cb 0.88 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1nh4 h ILE 32 CO 0.04 0.05 -0.19 0.58 0.00 0.00 0.00 178.15 178.63 1nh4 h VAL 33 N -0.28 1.53 0.07 1.67 2.07 0.11 0.33 116.25 121.74 1nh4 h VAL 33 Ca -0.02 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 65.68 1nh4 h VAL 33 Cb 0.22 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1nh4 h VAL 33 CO 0.03 0.50 -0.03 1.23 0.02 0.00 0.00 177.57 179.31 1nh4 h GLY 34 N -0.49 -0.10 0.45 2.17 0.00 0.10 0.60 103.07 105.81 1nh4 h GLY 34 Ca -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1nh4 h GLY 34 CO 0.04 -0.03 -0.11 0.00 0.00 0.00 0.00 176.54 176.44 1nh4 h ALA 35 N -0.09 -0.30 0.42 3.60 0.00 0.86 1.91 119.26 125.66 1nh4 h ALA 35 Ca -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1nh4 h ALA 35 Cb 0.62 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1nh4 h ALA 35 CO 0.02 -0.39 -0.20 1.15 0.00 0.00 0.00 179.25 179.82 1nh4 h THR 36 N -0.86 0.56 -0.09 0.00 2.02 0.39 0.94 112.91 115.87 1nh4 h THR 36 Ca -0.03 -0.30 -0.21 0.00 0.77 0.00 0.00 66.41 66.64 1nh4 h THR 36 Cb 0.51 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1nh4 h THR 36 CO 0.05 0.05 -0.79 0.40 0.37 0.00 0.00 175.52 175.61 1nh4 h ILE 37 N -0.75 1.34 -0.14 3.11 2.04 0.36 -2.56 117.51 120.91 1nh4 h ILE 37 Ca -0.06 -2.12 -0.03 0.00 1.00 0.00 0.00 64.86 63.65 1nh4 h ILE 37 Cb 0.52 2.11 -0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1nh4 h ILE 37 CO 0.10 0.65 -0.05 1.23 0.00 0.00 0.00 178.15 180.08 1nh4 h GLY 38 N 0.97 0.31 0.92 5.37 0.00 0.36 -2.74 103.07 108.26 1nh4 h GLY 38 Ca -0.05 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.04 1nh4 h GLY 38 CO 0.15 0.24 0.48 -2.22 0.00 0.00 0.00 176.54 175.18 1nh4 h ILE 39 N -0.03 1.13 -0.56 2.60 1.08 0.97 -2.36 117.51 120.34 1nh4 h ILE 39 Ca 0.03 -0.32 0.06 0.00 -0.39 0.00 0.00 64.86 64.24 1nh4 h ILE 39 Cb 0.49 0.11 -0.05 0.00 -3.07 0.00 0.00 36.82 34.29 1nh4 h ILE 39 CO 0.02 0.17 0.28 0.50 -0.69 0.00 0.00 178.15 178.43 1nh4 h LYS 40 N 0.95 0.51 -0.70 2.37 3.64 -1.40 -0.83 116.57 121.11 1nh4 h LYS 40 Ca 0.29 -0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.78 1nh4 h LYS 40 Cb -0.03 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 1nh4 h LYS 40 CO -0.09 0.34 0.47 1.25 -2.27 0.00 0.00 179.45 179.14 1nh4 h LEU 41 N 0.52 0.35 -0.50 5.20 5.85 -1.11 -0.04 115.31 125.59 1nh4 h LEU 41 Ca 0.26 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1nh4 h LEU 41 Cb 0.20 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1nh4 h LEU 41 CO -0.19 0.19 0.27 0.15 -0.34 0.00 0.00 178.44 178.52 1nh4 h PHE 42 N 0.38 0.70 -0.22 1.25 3.57 -0.99 3.09 116.94 124.73 1nh4 h PHE 42 Ca 0.34 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.70 1nh4 h PHE 42 Cb 0.79 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 1nh4 h PHE 42 CO -0.00 0.52 -0.32 0.87 -2.23 0.00 0.00 178.31 177.15 1nh4 h LYS 43 N 0.67 0.60 -0.05 1.11 1.57 -1.00 1.44 116.57 120.91 1nh4 h LYS 43 Ca 0.18 -0.36 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 1nh4 h LYS 43 Cb 0.07 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.41 1nh4 h LYS 43 CO -0.03 0.96 -0.40 0.87 -0.57 0.00 0.00 179.45 180.29 1nh4 h LYS 44 N 0.29 0.35 -0.05 3.15 1.57 -0.90 0.67 116.57 121.65 1nh4 h LYS 44 Ca 0.02 -0.32 -0.18 0.00 -1.87 0.00 0.00 60.65 58.30 1nh4 h LYS 44 Cb 0.90 0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.30 1nh4 h LYS 44 CO 0.07 0.98 -0.66 0.35 -0.57 0.00 0.00 179.45 179.62 1nh4 h PHE 45 N -0.16 0.77 -0.03 -1.35 3.57 0.56 0.60 116.94 120.90 1nh4 h PHE 45 Ca -0.04 -0.38 -0.16 0.00 3.53 0.00 0.00 57.97 60.93 1nh4 h PHE 45 Cb 1.08 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.73 1nh4 h PHE 45 CO 0.14 1.19 -0.59 1.15 -2.23 0.00 0.00 178.31 177.97 1nh4 h THR 46 N 0.14 1.40 -0.04 4.41 2.02 0.20 0.53 112.91 121.56 1nh4 h THR 46 Ca -0.07 -2.00 -0.19 0.00 0.77 0.00 0.00 66.41 64.93 1nh4 h THR 46 Cb 1.33 2.45 0.01 0.00 -1.74 0.00 0.00 68.15 70.21 1nh4 h THR 46 CO 0.13 0.59 -0.70 -1.28 0.37 0.00 0.00 175.52 174.64 1nh4 h SER 47 N -0.01 0.69 -0.07 4.18 0.87 0.39 -3.30 113.55 116.30 1nh4 h SER 47 Ca -0.06 -0.71 -0.23 0.00 -1.23 0.00 0.00 61.79 59.55 1nh4 h SER 47 Cb 1.27 -0.21 0.02 0.00 -0.44 0.00 0.00 62.40 63.04 1nh4 h SER 47 CO 0.12 1.30 -0.87 0.11 -0.53 0.00 0.00 176.83 176.96 1nh4 h LYS 48 N 0.14 0.70 0.00 2.24 1.79 0.20 -3.49 116.57 118.15 1nh4 h LYS 48 Ca -0.07 -0.67 0.00 0.00 -2.18 0.00 0.00 60.65 57.73 1nh4 h LYS 48 Cb 1.37 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 32.19 1nh4 h LYS 48 CO 0.14 1.27 0.00 0.00 -1.08 0.00 0.00 179.45 179.77