#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2a h MET 2 N 0.00 0.00 0.00 -0.41 4.05 -2.13 -3.49 114.93 112.95 1r2a h MET 2 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1r2a h MET 2 Cb 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1r2a h MET 2 CO 0.00 0.66 0.00 0.41 0.23 0.00 0.00 176.91 178.21 1r2a n GLY 3 N 1.31 2.55 2.26 1.39 0.00 -1.26 -5.07 105.19 106.36 1r2a n GLY 3 Ca -0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 1r2a n GLY 3 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1r2a n HIS 4 N 0.00 -1.00 -4.75 1.61 -0.00 -1.26 -5.11 115.22 104.71 1r2a n HIS 4 Ca 0.00 -1.44 -0.33 0.00 -0.00 0.00 0.00 57.72 55.95 1r2a n HIS 4 Cb 0.00 0.96 -0.13 0.00 -0.00 0.00 0.00 29.99 30.82 1r2a n HIS 4 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 1r2a s ILE 5 N -0.49 3.22 -0.41 0.61 2.07 -1.26 -5.01 121.20 119.93 1r2a s ILE 5 Ca 0.11 -0.63 0.09 0.00 -1.41 0.00 0.00 60.65 58.82 1r2a s ILE 5 Cb 0.33 -2.33 0.38 0.00 0.13 0.00 0.00 42.46 40.96 1r2a s ILE 5 CO -0.09 0.55 1.20 0.00 -1.91 0.00 0.00 174.94 174.69 1r2a n GLN 6 N 3.02 1.13 -3.91 3.50 10.64 -1.26 -5.07 117.38 125.43 1r2a n GLN 6 Ca -0.18 -2.12 -0.30 0.00 -1.83 0.00 0.00 57.00 52.57 1r2a n GLN 6 Cb 0.53 -0.57 -0.14 0.00 -0.86 0.00 0.00 30.24 29.19 1r2a n GLN 6 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1r2a s ILE 7 N -0.34 2.09 0.27 -0.39 -1.09 -1.26 -5.09 121.20 115.38 1r2a s ILE 7 Ca 0.24 -2.62 -0.29 0.00 -2.23 0.00 0.00 60.65 55.75 1r2a s ILE 7 Cb 0.37 -2.50 -0.09 0.00 -1.58 0.00 0.00 42.46 38.66 1r2a s ILE 7 CO -0.06 -0.73 1.14 -2.16 -1.23 0.00 0.00 174.94 171.90 1r2a s PRO 8 N 0.47 4.59 0.00 2.79 0.04 -1.26 -5.04 135.00 136.59 1r2a s PRO 8 Ca 0.14 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1r2a s PRO 8 Cb -0.22 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1r2a s PRO 8 CO -0.06 0.12 0.00 -0.35 0.04 0.00 0.00 177.00 176.75 1r2a n PRO 9 N 1.30 -0.56 0.00 0.56 -0.04 -1.26 -4.45 135.00 130.55 1r2a n PRO 9 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1r2a n PRO 9 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 1r2a n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r2a n GLY 10 N 3.46 2.99 0.16 0.55 0.00 -1.26 -4.77 105.19 106.33 1r2a n GLY 10 Ca 0.00 -0.81 0.03 0.00 0.00 0.00 0.00 46.02 45.24 1r2a n GLY 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1r2a h LEU 11 N 0.00 0.00 -0.18 0.99 6.46 -2.02 -3.22 115.31 117.34 1r2a h LEU 11 Ca 0.00 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1r2a h LEU 11 Cb 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1r2a h LEU 11 CO 0.00 0.48 0.03 0.74 -0.62 0.00 0.00 178.44 179.07 1r2a h THR 12 N 0.00 1.22 -0.53 1.05 2.02 -1.89 -2.55 112.91 112.24 1r2a h THR 12 Ca -0.00 -0.73 0.06 0.00 0.77 0.00 0.00 66.41 66.51 1r2a h THR 12 Cb 1.04 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 1r2a h THR 12 CO 0.06 0.22 0.35 -0.08 0.37 0.00 0.00 175.52 176.45 1r2a h GLU 13 N 0.10 0.45 0.58 6.66 4.81 -1.96 -0.18 114.58 125.04 1r2a h GLU 13 Ca 0.06 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1r2a h GLU 13 Cb 0.31 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.60 1r2a h GLU 13 CO 0.00 0.30 -0.28 1.25 -0.73 0.00 0.00 179.01 179.55 1r2a h LEU 14 N 0.46 -0.66 -0.88 1.64 5.85 -1.51 -2.79 115.31 117.42 1r2a h LEU 14 Ca 0.23 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.01 1r2a h LEU 14 Cb 0.33 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 1r2a h LEU 14 CO -0.06 -0.28 0.54 -0.07 -0.34 0.00 0.00 178.44 178.23 1r2a h LEU 15 N -1.13 0.83 -0.95 2.25 3.38 -1.22 -0.94 115.31 117.54 1r2a h LEU 15 Ca -0.08 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.10 1r2a h LEU 15 Cb 0.64 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 1r2a h LEU 15 CO 0.13 0.51 0.54 1.56 0.09 0.00 0.00 178.44 181.27 1r2a h GLN 16 N 0.95 0.66 0.59 1.13 7.50 -1.01 -0.56 115.11 124.37 1r2a h GLN 16 Ca 0.39 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.48 1r2a h GLN 16 Cb 0.23 -0.15 -0.01 0.00 0.05 0.00 0.00 27.48 27.60 1r2a h GLN 16 CO -0.20 0.44 -0.44 0.78 -1.50 0.00 0.00 178.83 177.92 1r2a h GLY 17 N 0.68 -1.21 -0.13 3.46 0.00 -0.88 -1.10 103.07 103.89 1r2a h GLY 17 Ca 0.54 0.52 0.14 0.00 0.00 0.00 0.00 47.33 48.54 1r2a h GLY 17 CO -0.39 -0.39 0.03 -1.82 0.00 0.00 0.00 176.54 173.96 1r2a h TYR 18 N -0.98 -0.00 -0.20 5.60 3.20 -1.24 1.17 116.97 124.52 1r2a h TYR 18 Ca -0.08 0.05 0.06 0.00 3.14 0.00 0.00 58.73 61.90 1r2a h TYR 18 Cb 0.81 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 39.12 1r2a h TYR 18 CO -0.15 -0.17 -0.30 1.15 -1.64 0.00 0.00 178.16 177.05 1r2a h THR 19 N 0.13 0.31 -0.48 1.81 2.02 -0.72 0.84 112.91 116.83 1r2a h THR 19 Ca 0.36 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.53 1r2a h THR 19 Cb 0.60 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1r2a h THR 19 CO -0.56 0.00 0.27 0.58 0.37 0.00 0.00 175.52 176.18 1r2a h VAL 20 N -0.34 1.16 0.07 3.16 2.07 0.22 -1.64 116.25 120.96 1r2a h VAL 20 Ca 0.12 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.25 1r2a h VAL 20 Cb 0.52 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1r2a h VAL 20 CO -0.38 0.17 -0.26 -0.08 0.02 0.00 0.00 177.57 177.03 1r2a h GLU 21 N 0.63 -0.37 -0.47 1.57 4.81 0.36 -0.06 114.58 121.05 1r2a h GLU 21 Ca 0.17 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.56 1r2a h GLU 21 Cb 0.03 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1r2a h GLU 21 CO -0.03 -0.24 0.36 0.28 -0.73 0.00 0.00 179.01 178.64 1r2a h VAL 22 N -0.38 0.69 0.00 0.32 2.07 0.66 1.14 116.25 120.75 1r2a h VAL 22 Ca -0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 1r2a h VAL 22 Cb 0.38 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1r2a h VAL 22 CO -0.14 0.00 -0.35 -0.07 0.02 0.00 0.00 177.57 177.03 1r2a h LEU 23 N 0.00 0.00 0.00 2.57 -0.00 -0.19 -3.18 115.31 114.51 1r2a h LEU 23 Ca 0.22 0.00 -0.35 0.00 -0.00 0.00 0.00 57.88 57.76 1r2a h LEU 23 Cb 0.93 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.54 1r2a h LEU 23 CO -0.00 0.35 -2.14 0.54 -0.00 0.00 0.00 178.44 177.19 1r2a n ARG 24 N -3.48 0.46 -1.33 1.13 3.00 0.79 -4.58 116.66 112.65 1r2a n ARG 24 Ca 0.00 0.20 -0.22 0.00 -0.01 0.00 0.00 57.85 57.82 1r2a n ARG 24 Cb 0.51 -1.27 -0.10 0.00 0.00 0.00 0.00 32.46 31.61 1r2a n ARG 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1r2a n GLN 25 N -3.98 2.41 -1.45 5.56 6.02 0.36 -4.93 117.38 121.37 1r2a n GLN 25 Ca -0.41 -1.90 -0.32 0.00 -0.01 0.00 0.00 57.00 54.35 1r2a n GLN 25 Cb 0.78 -2.14 -0.18 0.00 1.02 0.00 0.00 30.24 29.73 1r2a n GLN 25 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1r2a n GLN 26 N 1.61 0.00 -3.21 -1.09 6.02 -1.20 -4.74 117.38 114.77 1r2a n GLN 26 Ca 0.48 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 57.17 1r2a n GLN 26 Cb 0.66 -1.26 -0.04 0.00 1.02 0.00 0.00 30.24 30.62 1r2a n GLN 26 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1r2a s PRO 27 N 7.95 3.73 0.35 -1.09 0.04 -1.26 -4.99 135.00 139.73 1r2a s PRO 27 Ca 1.30 0.23 0.16 0.00 0.04 0.00 0.00 61.00 62.72 1r2a s PRO 27 Cb -1.06 -2.56 0.62 0.00 0.04 0.00 0.00 34.50 31.54 1r2a s PRO 27 CO 0.50 0.16 1.73 -1.00 0.04 0.00 0.00 177.00 178.44 1r2a h PRO 28 N 1.78 0.00 -3.43 0.56 0.13 -2.02 -3.41 132.00 125.61 1r2a h PRO 28 Ca -0.47 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.22 1r2a h PRO 28 Cb 1.18 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.92 1r2a h PRO 28 CO 0.66 0.44 -0.76 -0.51 -0.23 0.00 0.00 178.00 177.60 1r2a s ASP 29 N -6.64 1.91 0.20 1.44 1.01 -1.26 -5.02 116.67 108.31 1r2a s ASP 29 Ca -0.01 -0.31 -0.06 0.00 0.71 0.00 0.00 52.55 52.88 1r2a s ASP 29 Cb 0.12 -0.35 0.14 0.00 1.01 0.00 0.00 42.92 43.84 1r2a s ASP 29 CO 0.71 -0.26 1.61 0.25 0.21 0.00 0.00 175.17 177.69 1r2a h LEU 30 N 8.36 0.86 0.16 1.23 6.46 -1.98 -1.74 115.31 128.66 1r2a h LEU 30 Ca -0.16 -0.31 -0.00 0.00 -0.12 0.00 0.00 57.88 57.29 1r2a h LEU 30 Cb 1.13 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 1r2a h LEU 30 CO 0.25 1.04 -0.22 0.58 -0.62 0.00 0.00 178.44 179.47 1r2a h VAL 31 N 0.74 0.00 -0.64 1.05 2.07 -1.99 0.89 116.25 118.38 1r2a h VAL 31 Ca 0.10 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.70 1r2a h VAL 31 Cb 0.73 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1r2a h VAL 31 CO 0.06 0.00 0.42 -0.78 0.02 0.00 0.00 177.57 177.29 1r2a h ASP 32 N -0.40 0.49 -0.33 0.57 3.58 -2.00 -1.41 116.42 116.92 1r2a h ASP 32 Ca -0.02 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.38 1r2a h ASP 32 Cb 0.36 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1r2a h ASP 32 CO -0.06 0.31 -0.03 0.15 -2.88 0.00 0.00 179.24 176.72 1r2a h PHE 33 N 0.55 0.67 -0.05 0.28 3.57 -0.55 -0.78 116.94 120.63 1r2a h PHE 33 Ca 0.28 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 1r2a h PHE 33 Cb 0.40 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1r2a h PHE 33 CO -0.00 0.75 -0.10 0.00 -2.23 0.00 0.00 178.31 176.73 1r2a h ALA 34 N 0.83 1.75 0.01 2.41 0.00 0.18 -2.20 119.26 122.24 1r2a h ALA 34 Ca 0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1r2a h ALA 34 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1r2a h ALA 34 CO 0.02 0.19 -0.18 0.28 0.00 0.00 0.00 179.25 179.56 1r2a h VAL 35 N 0.07 1.60 -0.05 0.00 2.07 -1.01 -2.89 116.25 116.04 1r2a h VAL 35 Ca 0.02 -2.00 0.01 0.00 0.82 0.00 0.00 66.70 65.55 1r2a h VAL 35 Cb 0.22 2.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1r2a h VAL 35 CO 0.01 0.54 0.05 -0.33 0.02 0.00 0.00 177.57 177.86 1r2a h GLU 36 N -0.64 0.00 0.01 1.57 4.39 -0.94 0.75 114.58 119.72 1r2a h GLU 36 Ca -0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 1r2a h GLU 36 Cb 0.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1r2a h GLU 36 CO 0.03 0.00 -0.01 -0.92 -1.16 0.00 0.00 179.01 176.96 1r2a h TYR 37 N 0.00 -0.02 -0.56 4.33 3.20 -1.42 -2.99 116.97 119.52 1r2a h TYR 37 Ca 0.02 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.94 1r2a h TYR 37 Cb 0.13 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 1r2a h TYR 37 CO 0.00 -0.01 0.29 0.74 -1.64 0.00 0.00 178.16 177.53 1r2a h PHE 38 N -0.16 0.52 -0.73 -3.82 0.04 -1.51 -1.80 116.94 109.48 1r2a h PHE 38 Ca -0.00 0.02 0.11 0.00 2.80 0.00 0.00 57.97 60.90 1r2a h PHE 38 Cb 0.01 -0.15 -0.08 0.00 2.20 0.00 0.00 35.95 37.93 1r2a h PHE 38 CO 0.02 0.25 0.35 1.15 -0.60 0.00 0.00 178.31 179.47 1r2a h THR 39 N 0.55 0.78 -0.13 -1.55 2.02 -1.02 0.66 112.91 114.23 1r2a h THR 39 Ca 0.25 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 67.16 1r2a h THR 39 Cb 0.16 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1r2a h THR 39 CO -0.17 0.10 -0.24 -0.09 0.37 0.00 0.00 175.52 175.49 1r2a h ARG 40 N 0.56 0.23 -0.69 6.66 2.43 -1.20 -2.75 114.38 119.62 1r2a h ARG 40 Ca 0.38 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.40 1r2a h ARG 40 Cb 0.47 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 1r2a h ARG 40 CO -0.31 0.46 0.14 -0.07 -1.51 0.00 0.00 179.97 178.68 1r2a h LEU 41 N 0.21 1.08 -0.99 3.80 4.07 -0.12 -1.36 115.31 122.00 1r2a h LEU 41 Ca 0.03 -0.25 -0.01 0.00 0.08 0.00 0.00 57.88 57.74 1r2a h LEU 41 Cb 0.54 -0.29 -0.04 0.00 1.08 0.00 0.00 40.66 41.96 1r2a h LEU 41 CO 0.04 1.05 0.50 0.03 -1.08 0.00 0.00 178.44 178.98 1r2a h ARG 42 N 1.06 1.21 0.00 1.13 2.47 -1.08 -1.85 114.38 117.32 1r2a h ARG 42 Ca 0.21 -0.12 -0.03 0.00 -1.26 0.00 0.00 59.98 58.77 1r2a h ARG 42 Cb 0.41 -0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 1r2a h ARG 42 CO 0.01 0.86 -0.17 0.93 0.56 0.00 0.00 179.97 182.17 1r2a h GLU 43 N 1.22 0.00 0.38 0.04 5.08 -1.40 -3.34 114.58 116.56 1r2a h GLU 43 Ca 0.31 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1r2a h GLU 43 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1r2a h GLU 43 CO -0.05 0.17 -0.18 0.00 -1.00 0.00 0.00 179.01 177.94 1r2a h ALA 44 N 1.83 -1.02 -1.72 3.43 0.00 -0.38 -3.42 119.26 117.98 1r2a h ALA 44 Ca -0.00 -0.11 -0.68 0.00 0.00 0.00 0.00 54.91 54.12 1r2a h ALA 44 Cb 0.96 0.20 0.05 0.00 0.00 0.00 0.00 17.79 19.00 1r2a h ALA 44 CO 0.02 -0.99 0.52 -2.13 0.00 0.00 0.00 179.25 176.68 1r2a n ARG 45 N -3.51 1.24 -0.33 0.00 3.00 -1.18 -5.12 116.66 110.77 1r2a n ARG 45 Ca -0.06 0.45 0.00 0.00 -0.00 0.00 0.00 57.85 58.23 1r2a n ARG 45 Cb 0.20 -2.11 0.00 0.00 0.00 0.00 0.00 32.46 30.56 1r2a n ARG 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50