#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2a s MET 2 N 0.00 3.01 0.00 -0.41 -1.94 -1.26 -5.06 119.30 113.63 1r2a s MET 2 Ca 0.00 -1.07 0.00 0.00 -1.71 0.00 0.00 55.69 52.91 1r2a s MET 2 Cb 0.00 -4.03 0.00 0.00 2.01 0.00 0.00 34.83 32.81 1r2a s MET 2 CO 0.00 -0.89 0.00 0.41 -0.01 0.00 0.00 175.02 174.53 1r2a n GLY 3 N 5.17 -0.85 3.16 -0.03 0.00 -1.26 -5.10 105.19 106.27 1r2a n GLY 3 Ca -0.10 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 1r2a n GLY 3 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1r2a s HIS 4 N -0.36 -0.29 0.15 1.61 0.09 -1.26 -5.16 115.29 110.06 1r2a s HIS 4 Ca 0.00 0.71 0.03 0.00 -0.00 0.00 0.00 55.06 55.80 1r2a s HIS 4 Cb 0.00 0.10 -0.04 0.00 -0.00 0.00 0.00 32.58 32.64 1r2a s HIS 4 CO 0.00 -0.15 0.23 0.42 -0.00 0.00 0.00 174.74 175.24 1r2a s ILE 5 N 0.10 5.07 0.24 0.60 -1.09 -1.26 -5.10 121.20 119.76 1r2a s ILE 5 Ca -0.00 -0.78 -0.21 0.00 -2.23 0.00 0.00 60.65 57.43 1r2a s ILE 5 Cb -0.02 -3.59 0.07 0.00 -1.58 0.00 0.00 42.46 37.34 1r2a s ILE 5 CO 0.00 -0.08 0.96 -1.58 -1.23 0.00 0.00 174.94 173.02 1r2a s GLN 6 N -3.13 1.55 0.19 2.79 0.74 -1.26 -5.14 119.66 115.41 1r2a s GLN 6 Ca 0.33 -0.99 -0.30 0.00 0.05 0.00 0.00 55.36 54.46 1r2a s GLN 6 Cb -0.11 0.44 -0.08 0.00 1.10 0.00 0.00 33.01 34.36 1r2a s GLN 6 CO 0.27 -0.73 1.12 0.42 -0.55 0.00 0.00 175.29 175.82 1r2a s ILE 7 N -2.33 3.76 0.26 -2.34 -1.09 -1.26 -4.99 121.20 113.22 1r2a s ILE 7 Ca 0.19 1.54 -0.29 0.00 -2.23 0.00 0.00 60.65 59.86 1r2a s ILE 7 Cb -0.03 -3.98 -0.09 0.00 -1.58 0.00 0.00 42.46 36.77 1r2a s ILE 7 CO 0.07 0.27 1.21 -2.16 -1.23 0.00 0.00 174.94 173.10 1r2a s PRO 8 N -0.48 4.50 0.90 2.79 0.04 -1.26 -5.02 135.00 136.47 1r2a s PRO 8 Ca 0.49 1.96 -0.12 0.00 0.04 0.00 0.00 61.00 63.37 1r2a s PRO 8 Cb -0.30 -3.17 0.13 0.00 0.04 0.00 0.00 34.50 31.20 1r2a s PRO 8 CO 0.36 -0.03 1.11 -1.25 0.04 0.00 0.00 177.00 177.23 1r2a s PRO 9 N -1.04 1.21 0.00 0.56 0.04 -1.26 -4.03 135.00 130.48 1r2a s PRO 9 Ca 0.49 0.56 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1r2a s PRO 9 Cb -0.35 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1r2a s PRO 9 CO 0.42 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.67 1r2a n GLY 10 N -1.64 3.08 0.23 0.56 0.00 -1.26 -4.80 105.19 101.36 1r2a n GLY 10 Ca 0.06 -0.79 0.14 0.00 0.00 0.00 0.00 46.02 45.44 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 0.25 0.99 6.46 -2.00 -3.25 115.31 117.76 1r2a h LEU 11 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1r2a h LEU 11 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1r2a h LEU 11 CO 0.00 0.00 -0.12 0.74 -0.62 0.00 0.00 178.44 178.44 1r2a h THR 12 N 0.00 0.72 -0.88 1.05 2.02 -1.87 -2.70 112.91 111.24 1r2a h THR 12 Ca 0.00 -0.84 0.14 0.00 0.77 0.00 0.00 66.41 66.48 1r2a h THR 12 Cb 0.73 1.13 -0.07 0.00 -1.74 0.00 0.00 68.15 68.20 1r2a h THR 12 CO 0.00 0.16 0.57 -0.33 0.37 0.00 0.00 175.52 176.29 1r2a h GLU 13 N -0.83 0.67 0.81 6.66 5.08 -1.98 0.52 114.58 125.51 1r2a h GLU 13 Ca -0.03 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1r2a h GLU 13 Cb 0.51 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1r2a h GLU 13 CO 0.06 0.45 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.05 1r2a h LEU 14 N 0.69 -0.92 -0.15 1.33 3.38 -1.58 -1.11 115.31 116.95 1r2a h LEU 14 Ca 0.44 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.44 1r2a h LEU 14 Cb 0.70 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1r2a h LEU 14 CO -0.20 -0.58 0.07 -0.07 0.09 0.00 0.00 178.44 177.76 1r2a h LEU 15 N -1.24 0.11 -1.14 1.67 4.07 -1.13 -2.08 115.31 115.57 1r2a h LEU 15 Ca -0.11 0.01 0.15 0.00 0.08 0.00 0.00 57.88 58.01 1r2a h LEU 15 Cb 0.84 -0.01 -0.08 0.00 1.08 0.00 0.00 40.66 42.48 1r2a h LEU 15 CO 0.18 0.08 0.61 -0.61 -1.08 0.00 0.00 178.44 177.62 1r2a h GLN 16 N 0.16 0.77 0.08 1.13 4.15 -0.92 -1.08 115.11 119.40 1r2a h GLN 16 Ca 0.06 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.45 1r2a h GLN 16 Cb 0.01 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.51 1r2a h GLN 16 CO -0.04 0.51 -0.17 0.78 -1.93 0.00 0.00 178.83 177.97 1r2a h GLY 17 N 0.79 -0.29 -0.17 2.39 0.00 -0.48 -2.07 103.07 103.24 1r2a h GLY 17 Ca 0.50 0.20 0.15 0.00 0.00 0.00 0.00 47.33 48.18 1r2a h GLY 17 CO -0.27 -0.16 0.02 -1.82 0.00 0.00 0.00 176.54 174.31 1r2a h TYR 18 N -0.32 -0.01 -0.95 5.60 3.20 -0.99 0.17 116.97 123.67 1r2a h TYR 18 Ca 0.03 0.05 0.19 0.00 3.14 0.00 0.00 58.73 62.14 1r2a h TYR 18 Cb 0.35 0.11 -0.11 0.00 1.54 0.00 0.00 36.73 38.62 1r2a h TYR 18 CO -0.18 -0.18 0.54 1.15 -1.64 0.00 0.00 178.16 177.85 1r2a h THR 19 N 0.13 0.67 0.00 1.81 2.02 -1.01 0.61 112.91 117.13 1r2a h THR 19 Ca 0.36 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 67.22 1r2a h THR 19 Cb 0.61 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1r2a h THR 19 CO -0.57 0.12 -0.45 0.58 0.37 0.00 0.00 175.52 175.57 1r2a h VAL 20 N 0.67 0.85 0.00 3.16 2.07 -0.44 -2.85 116.25 119.72 1r2a h VAL 20 Ca 0.56 -1.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 1r2a h VAL 20 Cb 0.89 2.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1r2a h VAL 20 CO -0.40 0.44 -0.36 -0.33 0.02 0.00 0.00 177.57 176.94 1r2a h GLU 21 N 0.00 0.00 -0.52 1.57 5.08 0.37 -2.63 114.58 118.46 1r2a h GLU 21 Ca -0.00 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 1r2a h GLU 21 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1r2a h GLU 21 CO 0.06 0.09 0.50 0.28 -1.00 0.00 0.00 179.01 178.94 1r2a h VAL 22 N -1.00 0.41 0.15 3.13 2.07 -0.08 0.98 116.25 121.92 1r2a h VAL 22 Ca -0.02 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.16 1r2a h VAL 22 Cb 0.40 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1r2a h VAL 22 CO -0.01 0.00 -1.69 0.25 0.02 0.00 0.00 177.57 176.14 1r2a h LEU 23 N 0.00 0.51 0.00 2.57 5.85 -1.63 -2.83 115.31 119.78 1r2a h LEU 23 Ca 0.24 -0.77 -0.04 0.00 0.84 0.00 0.00 57.88 58.16 1r2a h LEU 23 Cb 1.24 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1r2a h LEU 23 CO -0.00 1.65 -0.28 -0.09 -0.34 0.00 0.00 178.44 179.37 1r2a h ARG 24 N 0.09 0.00 -0.78 1.25 1.12 -0.58 -3.35 114.38 112.12 1r2a h ARG 24 Ca -0.31 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.54 1r2a h ARG 24 Cb 2.07 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 31.99 1r2a h ARG 24 CO 0.17 0.65 0.43 1.96 -3.11 0.00 0.00 179.97 180.06 1r2a h GLN 25 N -1.00 1.09 -6.27 0.20 1.08 0.68 -3.47 115.11 107.43 1r2a h GLN 25 Ca -0.06 -0.13 -0.45 0.00 -1.45 0.00 0.00 58.65 56.56 1r2a h GLN 25 Cb 0.75 -0.21 0.05 0.00 -0.05 0.00 0.00 27.48 28.02 1r2a h GLN 25 CO -0.04 0.81 -0.91 0.94 -0.95 0.00 0.00 178.83 178.68 1r2a n GLN 26 N -4.43 -2.19 -1.77 1.46 7.27 -1.07 -4.92 117.38 111.74 1r2a n GLN 26 Ca 0.07 0.46 -0.33 0.00 0.07 0.00 0.00 57.00 57.28 1r2a n GLN 26 Cb 0.10 -4.36 0.04 0.00 2.41 0.00 0.00 30.24 28.43 1r2a n GLN 26 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1r2a s PRO 27 N -6.11 2.90 0.50 3.69 0.04 -1.26 -4.94 135.00 129.82 1r2a s PRO 27 Ca 0.30 1.28 0.29 0.00 0.04 0.00 0.00 61.00 62.91 1r2a s PRO 27 Cb -0.11 -1.97 1.11 0.00 0.04 0.00 0.00 34.50 33.58 1r2a s PRO 27 CO 0.86 -1.16 1.89 -1.00 0.04 0.00 0.00 177.00 177.64 1r2a h PRO 28 N -0.03 0.00 -3.50 0.56 0.13 -2.01 -3.41 132.00 123.74 1r2a h PRO 28 Ca -0.46 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.26 1r2a h PRO 28 Cb 1.23 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.98 1r2a h PRO 28 CO 0.55 0.09 -0.75 -0.51 -0.23 0.00 0.00 178.00 177.14 1r2a s ASP 29 N -5.93 1.43 0.10 1.44 1.01 -1.26 -5.01 116.67 108.46 1r2a s ASP 29 Ca 0.01 -0.04 0.07 0.00 0.71 0.00 0.00 52.55 53.30 1r2a s ASP 29 Cb 0.09 -0.30 -0.22 0.00 1.01 0.00 0.00 42.92 43.51 1r2a s ASP 29 CO 0.59 -0.23 1.22 0.25 0.21 0.00 0.00 175.17 177.21 1r2a h LEU 30 N 8.38 0.02 0.06 1.23 5.85 -1.99 -3.20 115.31 125.66 1r2a h LEU 30 Ca -0.16 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1r2a h LEU 30 Cb 1.12 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1r2a h LEU 30 CO 0.21 1.02 -0.21 0.58 -0.34 0.00 0.00 178.44 179.70 1r2a h VAL 31 N 0.00 0.00 -0.79 1.05 2.07 -1.99 0.68 116.25 117.27 1r2a h VAL 31 Ca -0.04 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.57 1r2a h VAL 31 Cb 1.80 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.50 1r2a h VAL 31 CO 0.13 0.00 0.45 -0.78 0.02 0.00 0.00 177.57 177.39 1r2a h ASP 32 N -0.31 0.64 -0.06 0.57 3.58 -2.01 -1.94 116.42 116.90 1r2a h ASP 32 Ca -0.00 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.51 1r2a h ASP 32 Cb 0.30 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 1r2a h ASP 32 CO -0.10 0.37 -0.03 0.15 -2.88 0.00 0.00 179.24 176.75 1r2a h PHE 33 N 0.76 -0.08 -0.97 0.28 3.57 -1.40 0.17 116.94 119.27 1r2a h PHE 33 Ca 0.38 0.01 0.15 0.00 3.53 0.00 0.00 57.97 62.03 1r2a h PHE 33 Cb 0.33 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 39.02 1r2a h PHE 33 CO -0.07 -0.05 0.59 0.00 -2.23 0.00 0.00 178.31 176.54 1r2a h ALA 34 N 1.03 1.51 -0.05 2.41 0.00 0.11 0.23 119.26 124.51 1r2a h ALA 34 Ca 0.04 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1r2a h ALA 34 Cb 0.08 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1r2a h ALA 34 CO -0.08 0.08 -0.33 0.28 0.00 0.00 0.00 179.25 179.20 1r2a h VAL 35 N 0.85 1.45 0.00 0.00 2.07 -0.84 -3.00 116.25 116.78 1r2a h VAL 35 Ca 0.51 -1.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 1r2a h VAL 35 Cb 0.64 2.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1r2a h VAL 35 CO -0.32 0.51 -0.09 -0.33 0.02 0.00 0.00 177.57 177.36 1r2a h GLU 36 N -0.23 0.00 0.06 1.57 4.39 -0.03 -0.84 114.58 119.50 1r2a h GLU 36 Ca -0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1r2a h GLU 36 Cb 1.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 1r2a h GLU 36 CO 0.07 0.09 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.06 1r2a h TYR 37 N 0.00 -0.08 0.04 4.33 3.20 -0.52 -2.79 116.97 121.16 1r2a h TYR 37 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1r2a h TYR 37 Cb 0.29 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1r2a h TYR 37 CO 0.00 -0.05 -0.05 0.74 -1.64 0.00 0.00 178.16 177.16 1r2a h PHE 38 N -0.21 -0.12 -1.00 -3.82 0.04 -1.56 -1.83 116.94 108.44 1r2a h PHE 38 Ca -0.01 0.00 0.26 0.00 2.80 0.00 0.00 57.97 61.02 1r2a h PHE 38 Cb 0.07 0.05 -0.07 0.00 2.20 0.00 0.00 35.95 38.19 1r2a h PHE 38 CO 0.06 -0.07 0.68 1.15 -0.60 0.00 0.00 178.31 179.53 1r2a h THR 39 N -0.10 0.55 0.00 -1.55 2.02 -1.31 0.81 112.91 113.33 1r2a h THR 39 Ca 0.00 -0.09 -0.09 0.00 0.77 0.00 0.00 66.41 67.01 1r2a h THR 39 Cb 0.10 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1r2a h THR 39 CO -0.02 0.05 -0.41 -0.09 0.37 0.00 0.00 175.52 175.42 1r2a h ARG 40 N 0.26 0.00 -0.69 6.66 2.43 -1.05 -3.14 114.38 118.85 1r2a h ARG 40 Ca 0.53 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.66 1r2a h ARG 40 Cb 1.59 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.11 1r2a h ARG 40 CO -0.16 0.41 0.27 1.25 -1.51 0.00 0.00 179.97 180.23 1r2a h LEU 41 N 0.00 0.92 -1.00 3.80 5.85 0.12 -2.38 115.31 122.62 1r2a h LEU 41 Ca -0.00 -0.13 0.20 0.00 0.84 0.00 0.00 57.88 58.79 1r2a h LEU 41 Cb 1.08 -0.24 -0.11 0.00 0.37 0.00 0.00 40.66 41.76 1r2a h LEU 41 CO 0.05 0.82 0.61 0.03 -0.34 0.00 0.00 178.44 179.62 1r2a h ARG 42 N 0.99 0.70 0.00 1.25 -0.00 -1.47 0.38 114.38 116.23 1r2a h ARG 42 Ca 0.23 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.98 59.58 1r2a h ARG 42 Cb 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 29.97 29.99 1r2a h ARG 42 CO -0.02 0.46 -0.44 0.93 0.00 0.00 0.00 179.97 180.91 1r2a h GLU 43 N 0.72 0.00 0.09 0.04 5.08 -1.60 -3.21 114.58 115.71 1r2a h GLU 43 Ca 0.60 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1r2a h GLU 43 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1r2a h GLU 43 CO -0.41 0.44 -0.04 0.00 -1.00 0.00 0.00 179.01 178.00 1r2a h ALA 44 N 1.56 -0.38 -3.00 3.43 0.00 -0.05 -3.40 119.26 117.43 1r2a h ALA 44 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1r2a h ALA 44 Cb 1.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1r2a h ALA 44 CO 0.06 -0.37 0.00 0.54 0.00 0.00 0.00 179.25 179.48 1r2a n ARG 45 N -2.81 0.00 0.00 0.00 5.12 -0.53 -5.11 116.66 113.32 1r2a n ARG 45 Ca -0.02 0.18 0.15 0.00 -1.93 0.00 0.00 57.85 56.23 1r2a n ARG 45 Cb 0.05 -0.90 0.67 0.00 -1.16 0.00 0.00 32.46 31.11 1r2a n ARG 45 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24