#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2a n MET 2 N 0.00 0.00 0.00 1.57 2.00 -1.26 -5.16 117.12 114.27 1r2a n MET 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1r2a n MET 2 Cb 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 33.22 32.78 1r2a n MET 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1r2a n GLY 3 N 1.98 2.27 2.67 3.03 0.00 -1.26 -5.09 105.19 108.79 1r2a n GLY 3 Ca 0.00 -1.34 -0.17 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.97 -0.20 -0.76 1.61 0.09 -1.26 -5.03 115.29 107.77 1r2a s HIS 4 Ca 0.00 -1.19 0.03 0.00 -0.00 0.00 0.00 55.06 53.90 1r2a s HIS 4 Cb 0.00 -0.39 0.32 0.00 -0.00 0.00 0.00 32.58 32.51 1r2a s HIS 4 CO 0.00 -1.00 1.22 1.51 -0.00 0.00 0.00 174.74 176.47 1r2a n ILE 5 N 3.57 4.06 -1.71 0.60 3.06 -1.26 -4.81 119.36 122.88 1r2a n ILE 5 Ca 0.18 -5.68 -0.30 0.00 -2.50 0.00 0.00 62.75 54.44 1r2a n ILE 5 Cb 0.48 -1.61 0.05 0.00 0.54 0.00 0.00 39.64 39.11 1r2a n ILE 5 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1r2a n GLN 6 N 0.10 3.11 -3.68 9.51 6.02 -1.26 -4.83 117.38 126.35 1r2a n GLN 6 Ca 0.35 -3.73 -0.28 0.00 -0.01 0.00 0.00 57.00 53.33 1r2a n GLN 6 Cb 0.35 -2.28 -0.12 0.00 1.02 0.00 0.00 30.24 29.21 1r2a n GLN 6 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1r2a s ILE 7 N -4.79 1.56 -0.27 5.09 -1.09 -1.26 -5.08 121.20 115.36 1r2a s ILE 7 Ca 0.58 -3.08 -0.29 0.00 -2.23 0.00 0.00 60.65 55.63 1r2a s ILE 7 Cb 0.46 -2.06 -0.01 0.00 -1.58 0.00 0.00 42.46 39.26 1r2a s ILE 7 CO -0.02 -1.01 1.50 -2.16 -1.23 0.00 0.00 174.94 172.02 1r2a s PRO 8 N -0.24 3.79 0.79 2.79 0.04 -1.26 -5.00 135.00 135.92 1r2a s PRO 8 Ca 0.24 1.46 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 1r2a s PRO 8 Cb -0.11 -3.99 0.07 0.00 0.04 0.00 0.00 34.50 30.50 1r2a s PRO 8 CO -0.10 -1.29 1.09 -1.25 0.04 0.00 0.00 177.00 175.49 1r2a s PRO 9 N 4.57 2.11 0.00 0.56 0.04 -1.26 -3.73 135.00 137.30 1r2a s PRO 9 Ca 0.66 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1r2a s PRO 9 Cb -0.21 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1r2a s PRO 9 CO 0.28 -1.66 0.00 0.41 0.04 0.00 0.00 177.00 176.07 1r2a n GLY 10 N -1.66 2.91 0.32 0.56 0.00 -1.26 -4.85 105.19 101.22 1r2a n GLY 10 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 0.96 0.47 0.99 6.46 -2.00 -2.81 115.31 119.38 1r2a h LEU 11 Ca 0.00 -0.17 -0.01 0.00 -0.12 0.00 0.00 57.88 57.57 1r2a h LEU 11 Cb 0.00 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.67 1r2a h LEU 11 CO 0.00 0.90 -0.33 0.74 -0.62 0.00 0.00 178.44 179.13 1r2a h THR 12 N 0.99 0.32 -0.45 1.05 2.02 -1.88 -1.35 112.91 113.61 1r2a h THR 12 Ca 0.22 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.49 1r2a h THR 12 Cb 0.29 0.32 -0.09 0.00 -1.74 0.00 0.00 68.15 66.93 1r2a h THR 12 CO -0.01 0.00 -0.13 -0.08 0.37 0.00 0.00 175.52 175.67 1r2a h GLU 13 N -0.78 -0.03 0.14 6.66 4.57 -1.96 0.48 114.58 123.67 1r2a h GLU 13 Ca -0.05 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1r2a h GLU 13 Cb 0.65 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 1r2a h GLU 13 CO 0.02 -0.02 -0.32 1.25 -1.18 0.00 0.00 179.01 178.77 1r2a h LEU 14 N -0.03 -0.91 0.17 1.64 5.85 -1.25 0.79 115.31 121.57 1r2a h LEU 14 Ca 0.22 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1r2a h LEU 14 Cb 0.36 0.34 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1r2a h LEU 14 CO -0.48 -0.41 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.06 1r2a h LEU 15 N -0.55 -0.19 -1.96 2.25 4.07 -0.58 -1.94 115.31 116.41 1r2a h LEU 15 Ca 0.03 -0.05 0.21 0.00 0.08 0.00 0.00 57.88 58.14 1r2a h LEU 15 Cb 0.57 0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.33 1r2a h LEU 15 CO -0.18 -0.07 0.53 -0.61 -1.08 0.00 0.00 178.44 177.04 1r2a h GLN 16 N -0.30 0.03 0.56 1.13 4.15 0.14 -1.05 115.11 119.78 1r2a h GLN 16 Ca -0.02 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1r2a h GLN 16 Cb 0.23 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 1r2a h GLN 16 CO 0.04 0.02 -0.35 0.78 -1.93 0.00 0.00 178.83 177.40 1r2a h GLY 17 N 0.04 -0.93 -0.27 2.39 0.00 -0.03 -1.82 103.07 102.45 1r2a h GLY 17 Ca 0.36 0.38 0.28 0.00 0.00 0.00 0.00 47.33 48.35 1r2a h GLY 17 CO -0.02 -0.33 0.64 -1.82 0.00 0.00 0.00 176.54 175.01 1r2a h TYR 18 N -0.86 0.82 -0.30 5.60 3.20 -1.10 0.74 116.97 125.06 1r2a h TYR 18 Ca -0.07 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 1r2a h TYR 18 Cb 0.70 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 1r2a h TYR 18 CO -0.10 0.01 -0.06 1.15 -1.64 0.00 0.00 178.16 177.52 1r2a h THR 19 N 0.43 1.21 0.00 1.81 2.02 -1.21 0.20 112.91 117.37 1r2a h THR 19 Ca 0.65 -0.87 -0.16 0.00 0.77 0.00 0.00 66.41 66.80 1r2a h THR 19 Cb 1.52 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 1r2a h THR 19 CO -0.41 0.29 -0.89 0.58 0.37 0.00 0.00 175.52 175.45 1r2a h VAL 20 N 0.45 1.08 0.00 3.16 2.07 0.99 -2.82 116.25 121.19 1r2a h VAL 20 Ca 0.09 -2.60 -0.00 0.00 0.82 0.00 0.00 66.70 65.00 1r2a h VAL 20 Cb 0.40 2.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1r2a h VAL 20 CO 0.02 0.61 -0.16 -0.33 0.02 0.00 0.00 177.57 177.73 1r2a h GLU 21 N 0.00 0.00 -0.60 1.57 5.08 -0.50 -2.47 114.58 117.66 1r2a h GLU 21 Ca -0.05 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.45 1r2a h GLU 21 Cb 1.59 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.80 1r2a h GLU 21 CO 0.08 0.07 0.41 0.28 -1.00 0.00 0.00 179.01 178.86 1r2a h VAL 22 N -1.00 0.79 0.00 3.13 2.07 -0.78 0.13 116.25 120.59 1r2a h VAL 22 Ca -0.01 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1r2a h VAL 22 Cb 0.21 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1r2a h VAL 22 CO -0.00 0.04 -0.59 0.25 0.02 0.00 0.00 177.57 177.28 1r2a h LEU 23 N 0.21 0.00 0.00 2.57 5.85 -1.62 -1.37 115.31 120.95 1r2a h LEU 23 Ca 0.29 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 1r2a h LEU 23 Cb 0.85 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1r2a h LEU 23 CO -0.05 0.25 -0.41 -0.09 -0.34 0.00 0.00 178.44 177.79 1r2a h ARG 24 N 0.00 0.00 0.00 1.25 9.65 -0.37 -3.39 114.38 121.52 1r2a h ARG 24 Ca -0.03 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.80 1r2a h ARG 24 Cb 1.21 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.78 1r2a h ARG 24 CO 0.03 0.14 -0.49 -0.56 2.80 0.00 0.00 179.97 181.88 1r2a h GLN 25 N -1.00 0.00 -5.72 0.20 3.07 -1.07 -3.49 115.11 107.10 1r2a h GLN 25 Ca -0.03 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.57 1r2a h GLN 25 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.03 1r2a h GLN 25 CO -0.02 0.19 -0.63 1.04 0.09 0.00 0.00 178.83 179.50 1r2a n GLN 26 N -3.04 -2.03 -1.92 0.06 6.02 -0.51 -4.92 117.38 111.03 1r2a n GLN 26 Ca 0.01 1.74 -0.33 0.00 -0.01 0.00 0.00 57.00 58.41 1r2a n GLN 26 Cb 0.63 -4.57 0.03 0.00 1.02 0.00 0.00 30.24 27.35 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 -2.83 3.02 0.35 -1.09 0.04 -1.26 -4.94 135.00 128.28 1r2a s PRO 27 Ca 0.22 1.41 0.15 0.00 0.04 0.00 0.00 61.00 62.82 1r2a s PRO 27 Cb -0.05 -1.98 0.63 0.00 0.04 0.00 0.00 34.50 33.14 1r2a s PRO 27 CO 0.80 -1.08 1.73 -1.00 0.04 0.00 0.00 177.00 177.49 1r2a h PRO 28 N 0.37 0.00 -2.93 0.56 0.13 -1.99 -3.43 132.00 124.72 1r2a h PRO 28 Ca -0.48 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.45 1r2a h PRO 28 Cb 1.25 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.07 1r2a h PRO 28 CO 0.55 0.44 -0.50 -0.51 -0.23 0.00 0.00 178.00 177.76 1r2a s ASP 29 N -6.66 0.01 0.17 1.44 1.11 -1.26 -5.02 116.67 106.45 1r2a s ASP 29 Ca -0.01 0.58 0.05 0.00 0.18 0.00 0.00 52.55 53.35 1r2a s ASP 29 Cb 0.12 0.57 -0.01 0.00 1.07 0.00 0.00 42.92 44.67 1r2a s ASP 29 CO 0.71 -0.20 1.38 -0.07 1.18 0.00 0.00 175.17 178.17 1r2a h LEU 30 N 7.71 0.13 0.39 1.23 4.07 -1.98 -2.43 115.31 124.43 1r2a h LEU 30 Ca -0.28 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.56 1r2a h LEU 30 Cb 1.14 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.81 1r2a h LEU 30 CO 0.26 0.94 -0.46 0.58 -1.08 0.00 0.00 178.44 178.68 1r2a h VAL 31 N 0.05 0.00 -0.29 1.22 2.07 -1.98 1.29 116.25 118.60 1r2a h VAL 31 Ca -0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1r2a h VAL 31 Cb 1.53 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1r2a h VAL 31 CO 0.12 0.00 0.04 -0.78 0.02 0.00 0.00 177.57 176.98 1r2a h ASP 32 N -0.87 0.47 -0.33 0.57 1.82 -2.01 -2.87 116.42 113.21 1r2a h ASP 32 Ca -0.05 -0.26 0.03 0.00 -0.39 0.00 0.00 57.03 56.36 1r2a h ASP 32 Cb 0.77 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.62 1r2a h ASP 32 CO -0.09 0.61 0.15 0.15 -1.61 0.00 0.00 179.24 178.45 1r2a h PHE 33 N 0.30 0.28 -0.88 0.28 3.57 -1.24 0.84 116.94 120.10 1r2a h PHE 33 Ca 0.09 0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.79 1r2a h PHE 33 Cb 0.34 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 1r2a h PHE 33 CO 0.02 0.15 0.58 0.00 -2.23 0.00 0.00 178.31 176.83 1r2a h ALA 34 N 1.18 2.16 0.00 2.41 0.00 0.18 0.11 119.26 125.30 1r2a h ALA 34 Ca 0.14 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1r2a h ALA 34 Cb 0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1r2a h ALA 34 CO -0.11 -0.43 -0.09 0.28 0.00 0.00 0.00 179.25 178.90 1r2a h VAL 35 N 0.43 1.30 -0.98 0.00 2.07 -1.04 -2.83 116.25 115.20 1r2a h VAL 35 Ca 0.45 -2.01 0.13 0.00 0.82 0.00 0.00 66.70 66.10 1r2a h VAL 35 Cb 1.09 2.49 -0.09 0.00 -1.52 0.00 0.00 31.29 33.26 1r2a h VAL 35 CO -0.17 0.44 0.61 -0.33 0.02 0.00 0.00 177.57 178.14 1r2a h GLU 36 N -1.00 0.89 0.09 1.57 5.08 -0.41 0.37 114.58 121.18 1r2a h GLU 36 Ca -0.02 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1r2a h GLU 36 Cb 0.78 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1r2a h GLU 36 CO -0.01 0.59 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.62 1r2a h TYR 37 N 0.92 -0.11 -0.88 4.33 3.20 -0.91 -2.50 116.97 121.02 1r2a h TYR 37 Ca 0.51 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.55 1r2a h TYR 37 Cb 0.57 0.04 -0.11 0.00 1.54 0.00 0.00 36.73 38.77 1r2a h TYR 37 CO -0.01 -0.07 0.43 0.74 -1.64 0.00 0.00 178.16 177.61 1r2a h PHE 38 N -0.21 0.74 -0.63 -3.82 0.04 -1.44 0.25 116.94 111.87 1r2a h PHE 38 Ca -0.01 0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.83 1r2a h PHE 38 Cb 0.09 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 1r2a h PHE 38 CO 0.09 0.09 0.42 1.15 -0.60 0.00 0.00 178.31 179.46 1r2a h THR 39 N 0.54 1.07 -0.47 -1.55 2.02 -0.33 -1.86 112.91 112.34 1r2a h THR 39 Ca 0.51 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 67.36 1r2a h THR 39 Cb 0.83 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1r2a h THR 39 CO -0.43 0.13 -0.02 -0.09 0.37 0.00 0.00 175.52 175.49 1r2a h ARG 40 N 0.73 0.84 -0.60 6.66 9.65 -0.04 -2.75 114.38 128.88 1r2a h ARG 40 Ca 0.26 -0.28 0.02 0.00 -1.10 0.00 0.00 59.98 58.88 1r2a h ARG 40 Cb 0.10 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.58 1r2a h ARG 40 CO -0.07 0.90 0.39 -0.07 2.80 0.00 0.00 179.97 183.92 1r2a h LEU 41 N 0.69 0.63 -1.17 3.80 3.38 -0.90 -1.62 115.31 120.11 1r2a h LEU 41 Ca 0.13 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.18 1r2a h LEU 41 Cb 0.53 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 1r2a h LEU 41 CO 0.03 0.44 0.59 0.03 0.09 0.00 0.00 178.44 179.61 1r2a h ARG 42 N 0.73 0.90 0.00 1.13 2.47 -1.15 0.19 114.38 118.65 1r2a h ARG 42 Ca 0.23 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.90 1r2a h ARG 42 Cb 0.03 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.15 1r2a h ARG 42 CO -0.06 0.60 0.00 0.93 0.56 0.00 0.00 179.97 182.00 1r2a h GLU 43 N 0.93 0.00 0.00 0.04 5.08 -1.32 -3.33 114.58 115.98 1r2a h GLU 43 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1r2a h GLU 43 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1r2a h GLU 43 CO -0.18 0.00 -0.34 0.00 -1.00 0.00 0.00 179.01 177.49 1r2a n ALA 44 N -1.80 0.30 -1.56 3.43 0.00 0.57 -4.91 120.51 116.54 1r2a n ALA 44 Ca 0.03 -0.32 -0.48 0.00 0.00 0.00 0.00 53.44 52.67 1r2a n ALA 44 Cb 0.29 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 1r2a n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1r2a n ARG 45 N -3.86 1.07 0.00 0.00 5.12 -0.66 -5.13 116.66 113.19 1r2a n ARG 45 Ca -0.05 0.38 0.11 0.00 -1.93 0.00 0.00 57.85 56.36 1r2a n ARG 45 Cb 0.18 -1.79 0.63 0.00 -1.16 0.00 0.00 32.46 30.31 1r2a n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57