#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 0.64 -2.88 1.57 0.00 -1.26 -4.98 117.12 110.21 1r2a n MET 2 Ca 0.00 -1.68 -0.38 0.00 -0.00 0.00 0.00 57.70 55.64 1r2a n MET 2 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 33.22 33.25 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 -0.40 5.64 3.28 -5.12 0.00 -1.26 -4.98 105.19 102.35 1r2a n GLY 3 Ca -0.12 -2.66 -0.11 0.00 0.00 0.00 0.00 46.02 43.13 1r2a n GLY 3 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1r2a s HIS 4 N -3.55 -0.12 -1.02 1.61 5.65 -1.26 -5.06 115.29 111.53 1r2a s HIS 4 Ca 0.38 -0.10 -0.01 0.00 0.25 0.00 0.00 55.06 55.58 1r2a s HIS 4 Cb 0.15 0.14 0.32 0.00 -1.18 0.00 0.00 32.58 32.01 1r2a s HIS 4 CO -0.04 -0.58 1.82 1.51 -0.65 0.00 0.00 174.74 176.79 1r2a n ILE 5 N 0.22 6.08 -3.44 0.89 0.13 -1.26 -4.98 119.36 117.00 1r2a n ILE 5 Ca -0.17 -5.98 -0.04 0.00 -1.10 0.00 0.00 62.75 55.46 1r2a n ILE 5 Cb 0.61 -1.55 0.00 0.00 -0.84 0.00 0.00 39.64 37.86 1r2a n ILE 5 CO 0.00 0.00 0.00 1.67 2.80 0.00 0.00 176.55 181.02 1r2a n GLN 6 N -0.05 1.28 -3.49 9.51 7.27 -1.26 -5.10 117.38 125.54 1r2a n GLN 6 Ca 0.47 -0.52 -0.38 0.00 0.07 0.00 0.00 57.00 56.64 1r2a n GLN 6 Cb 0.26 0.04 -0.06 0.00 2.41 0.00 0.00 30.24 32.89 1r2a n GLN 6 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1r2a s ILE 7 N -0.23 5.07 0.54 1.69 1.09 -1.26 -5.06 121.20 123.04 1r2a s ILE 7 Ca 0.06 0.82 -0.19 0.00 -1.10 0.00 0.00 60.65 60.24 1r2a s ILE 7 Cb -0.00 -3.71 -0.06 0.00 -1.06 0.00 0.00 42.46 37.63 1r2a s ILE 7 CO 0.04 0.54 1.09 -2.16 -0.10 0.00 0.00 174.94 174.35 1r2a s PRO 8 N -0.81 3.44 1.06 2.79 0.04 -1.26 -5.03 135.00 135.23 1r2a s PRO 8 Ca 0.23 1.46 -0.15 0.00 0.04 0.00 0.00 61.00 62.57 1r2a s PRO 8 Cb -0.16 -2.03 0.22 0.00 0.04 0.00 0.00 34.50 32.56 1r2a s PRO 8 CO 0.12 -0.74 1.14 -1.25 0.04 0.00 0.00 177.00 176.30 1r2a s PRO 9 N -3.44 -0.07 0.00 0.56 0.04 -1.26 -4.05 135.00 126.78 1r2a s PRO 9 Ca 0.69 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1r2a s PRO 9 Cb -0.20 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1r2a s PRO 9 CO 0.27 -2.98 0.00 0.41 0.04 0.00 0.00 177.00 174.74 1r2a n GLY 10 N -1.59 2.63 0.14 0.56 0.00 -1.26 -4.75 105.19 100.93 1r2a n GLY 10 Ca 0.10 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.17 0.99 5.85 -1.99 -3.21 115.31 116.77 1r2a h LEU 11 Ca 0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 1r2a h LEU 11 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1r2a h LEU 11 CO 0.00 0.58 -0.37 0.74 -0.34 0.00 0.00 178.44 179.05 1r2a h THR 12 N 0.00 1.34 -0.87 1.05 2.02 -1.85 -2.91 112.91 111.68 1r2a h THR 12 Ca -0.01 -1.62 0.15 0.00 0.77 0.00 0.00 66.41 65.70 1r2a h THR 12 Cb 1.13 1.94 -0.07 0.00 -1.74 0.00 0.00 68.15 69.42 1r2a h THR 12 CO 0.08 0.49 0.57 -0.33 0.37 0.00 0.00 175.52 176.70 1r2a h GLU 13 N 0.20 0.62 0.02 6.66 5.08 -1.95 0.28 114.58 125.49 1r2a h GLU 13 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1r2a h GLU 13 Cb 0.97 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1r2a h GLU 13 CO 0.08 0.41 -0.01 1.25 -1.00 0.00 0.00 179.01 179.74 1r2a h LEU 14 N 0.63 -0.02 -0.06 1.33 5.85 -1.58 -2.45 115.31 119.02 1r2a h LEU 14 Ca 0.44 -0.52 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1r2a h LEU 14 Cb 0.77 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 1r2a h LEU 14 CO -0.19 0.52 0.01 -0.07 -0.34 0.00 0.00 178.44 178.37 1r2a h LEU 15 N -0.57 0.09 -1.53 2.25 3.38 -1.21 -2.61 115.31 115.11 1r2a h LEU 15 Ca -0.00 -0.23 0.16 0.00 0.09 0.00 0.00 57.88 57.89 1r2a h LEU 15 Cb 0.54 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1r2a h LEU 15 CO 0.00 0.30 0.53 -0.61 0.09 0.00 0.00 178.44 178.75 1r2a h GLN 16 N -0.12 0.44 0.03 1.13 4.15 -0.55 -1.01 115.11 119.17 1r2a h GLN 16 Ca 0.02 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.44 1r2a h GLN 16 Cb 0.25 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 1r2a h GLN 16 CO 0.00 0.29 -0.18 0.78 -1.93 0.00 0.00 178.83 177.79 1r2a h GLY 17 N 0.45 -0.26 -0.28 2.39 0.00 -1.04 -0.61 103.07 103.72 1r2a h GLY 17 Ca 0.39 0.21 0.28 0.00 0.00 0.00 0.00 47.33 48.22 1r2a h GLY 17 CO -0.14 -0.17 0.65 -1.82 0.00 0.00 0.00 176.54 175.07 1r2a h TYR 18 N -0.31 0.79 -0.20 5.60 3.20 -1.11 0.65 116.97 125.59 1r2a h TYR 18 Ca 0.05 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 1r2a h TYR 18 Cb 0.36 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1r2a h TYR 18 CO -0.22 0.01 -0.19 1.15 -1.64 0.00 0.00 178.16 177.28 1r2a h THR 19 N 0.42 1.23 0.00 1.81 2.02 -1.01 -0.84 112.91 116.53 1r2a h THR 19 Ca 0.65 -1.03 -0.16 0.00 0.77 0.00 0.00 66.41 66.64 1r2a h THR 19 Cb 1.54 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 69.21 1r2a h THR 19 CO -0.40 0.32 -0.83 0.58 0.37 0.00 0.00 175.52 175.56 1r2a h VAL 20 N 0.31 1.17 0.00 3.16 2.07 0.68 -2.89 116.25 120.75 1r2a h VAL 20 Ca 0.06 -2.70 -0.01 0.00 0.82 0.00 0.00 66.70 64.87 1r2a h VAL 20 Cb 0.51 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1r2a h VAL 20 CO 0.03 0.67 -0.06 -0.33 0.02 0.00 0.00 177.57 177.90 1r2a h GLU 21 N 0.00 0.00 -0.46 1.57 5.08 -0.88 -2.86 114.58 117.03 1r2a h GLU 21 Ca -0.03 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 1r2a h GLU 21 Cb 1.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.81 1r2a h GLU 21 CO 0.09 0.31 0.32 0.28 -1.00 0.00 0.00 179.01 179.01 1r2a h VAL 22 N -1.00 0.88 -0.00 3.13 2.07 -1.32 1.26 116.25 121.27 1r2a h VAL 22 Ca -0.01 -0.08 -0.17 0.00 0.82 0.00 0.00 66.70 67.27 1r2a h VAL 22 Cb 0.34 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1r2a h VAL 22 CO -0.01 0.04 -0.77 0.25 0.02 0.00 0.00 177.57 177.10 1r2a h LEU 23 N 0.22 0.07 0.00 2.57 5.85 -1.61 -0.87 115.31 121.54 1r2a h LEU 23 Ca 0.21 -0.05 -0.31 0.00 0.84 0.00 0.00 57.88 58.57 1r2a h LEU 23 Cb 0.56 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 1r2a h LEU 23 CO -0.04 0.81 -1.84 -1.14 -0.34 0.00 0.00 178.44 175.90 1r2a n ARG 24 N -3.66 0.57 0.05 1.25 3.00 -0.17 -4.48 116.66 113.23 1r2a n ARG 24 Ca -0.01 0.38 -0.08 0.00 -0.00 0.00 0.00 57.85 58.13 1r2a n ARG 24 Cb 0.74 -1.58 0.06 0.00 0.00 0.00 0.00 32.46 31.68 1r2a n ARG 24 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1r2a h GLN 25 N -1.00 0.38 -5.92 -0.14 4.15 0.14 -3.48 115.11 109.23 1r2a h GLN 25 Ca -0.47 -0.28 -0.20 0.00 0.77 0.00 0.00 58.65 58.47 1r2a h GLN 25 Cb 1.38 0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.12 1r2a h GLN 25 CO -0.29 0.90 -0.49 0.94 -1.93 0.00 0.00 178.83 177.96 1r2a n GLN 26 N -3.87 -1.52 -1.31 1.69 7.27 -0.33 -4.95 117.38 114.36 1r2a n GLN 26 Ca -0.03 1.28 -0.29 0.00 0.07 0.00 0.00 57.00 58.03 1r2a n GLN 26 Cb 0.66 -4.32 0.16 0.00 2.41 0.00 0.00 30.24 29.15 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 -3.64 0.68 0.17 3.69 0.04 -1.26 -4.96 135.00 129.73 1r2a s PRO 27 Ca 0.04 0.42 -0.07 0.00 0.04 0.00 0.00 61.00 61.44 1r2a s PRO 27 Cb -0.01 -1.77 0.06 0.00 0.04 0.00 0.00 34.50 32.82 1r2a s PRO 27 CO 0.81 -2.54 1.51 -1.00 0.04 0.00 0.00 177.00 175.82 1r2a h PRO 28 N -1.75 0.75 -3.41 0.56 0.13 -2.00 -3.45 132.00 122.82 1r2a h PRO 28 Ca -0.53 -0.41 -0.15 0.00 -0.87 0.00 0.00 66.00 64.04 1r2a h PRO 28 Cb 1.33 0.02 -0.22 0.00 0.13 0.00 0.00 31.00 32.27 1r2a h PRO 28 CO 0.59 1.04 -0.47 0.34 -0.23 0.00 0.00 178.00 179.27 1r2a s ASP 29 N -6.87 -0.04 -0.04 1.44 -1.08 -1.26 -5.06 116.67 103.76 1r2a s ASP 29 Ca -0.09 -0.07 -0.14 0.00 -0.52 0.00 0.00 52.55 51.73 1r2a s ASP 29 Cb 0.11 0.25 -0.32 0.00 -1.46 0.00 0.00 42.92 41.51 1r2a s ASP 29 CO 0.86 -0.32 0.75 -0.07 0.52 0.00 0.00 175.17 176.90 1r2a h LEU 30 N 4.51 0.63 0.15 -1.34 3.38 -1.97 -2.81 115.31 117.85 1r2a h LEU 30 Ca -0.30 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 56.75 1r2a h LEU 30 Cb 1.19 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1r2a h LEU 30 CO 0.40 1.71 -0.36 0.58 0.09 0.00 0.00 178.44 180.87 1r2a h VAL 31 N 0.00 0.00 -0.98 1.22 2.07 -1.98 1.27 116.25 117.86 1r2a h VAL 31 Ca -0.30 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.24 1r2a h VAL 31 Cb 2.02 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 1r2a h VAL 31 CO 0.18 0.00 0.65 -0.78 0.02 0.00 0.00 177.57 177.64 1r2a h ASP 32 N -0.56 1.11 0.12 0.57 3.58 -2.00 -1.83 116.42 117.40 1r2a h ASP 32 Ca -0.01 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 1r2a h ASP 32 Cb 0.54 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1r2a h ASP 32 CO -0.15 0.79 -0.06 0.15 -2.88 0.00 0.00 179.24 177.09 1r2a h PHE 33 N 1.30 -0.15 -0.68 0.28 3.57 -1.11 0.73 116.94 120.89 1r2a h PHE 33 Ca 0.37 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.99 1r2a h PHE 33 Cb -0.11 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 1r2a h PHE 33 CO -0.00 0.03 0.46 0.00 -2.23 0.00 0.00 178.31 176.57 1r2a h ALA 34 N 0.56 2.08 0.01 2.41 0.00 0.20 0.16 119.26 124.68 1r2a h ALA 34 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1r2a h ALA 34 Cb 0.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1r2a h ALA 34 CO 0.03 -0.25 -0.01 0.28 0.00 0.00 0.00 179.25 179.30 1r2a h VAL 35 N 0.41 1.53 0.00 0.00 2.07 -0.87 -2.17 116.25 117.21 1r2a h VAL 35 Ca 0.32 -1.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.07 1r2a h VAL 35 Cb 0.71 2.70 -0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1r2a h VAL 35 CO -0.10 0.45 -0.11 -0.33 0.02 0.00 0.00 177.57 177.50 1r2a h GLU 36 N -0.79 0.00 0.08 1.57 4.39 -0.31 0.55 114.58 120.08 1r2a h GLU 36 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1r2a h GLU 36 Cb 0.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1r2a h GLU 36 CO 0.00 0.11 -0.04 -0.92 -1.16 0.00 0.00 179.01 177.00 1r2a h TYR 37 N 0.00 -0.10 -0.67 4.33 3.20 -0.74 -2.83 116.97 120.17 1r2a h TYR 37 Ca -0.00 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1r2a h TYR 37 Cb 0.21 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 1r2a h TYR 37 CO 0.00 -0.06 0.41 0.74 -1.64 0.00 0.00 178.16 177.61 1r2a h PHE 38 N -0.72 0.77 -0.45 -3.82 0.04 -1.40 -0.33 116.94 111.03 1r2a h PHE 38 Ca -0.01 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.82 1r2a h PHE 38 Cb 0.08 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 37.94 1r2a h PHE 38 CO 0.01 0.44 0.23 1.15 -0.60 0.00 0.00 178.31 179.54 1r2a h THR 39 N 0.81 0.97 0.00 -1.55 2.02 -1.03 -1.15 112.91 112.98 1r2a h THR 39 Ca 0.27 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 1r2a h THR 39 Cb 0.02 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1r2a h THR 39 CO -0.11 0.08 -0.10 -0.09 0.37 0.00 0.00 175.52 175.68 1r2a h ARG 40 N 0.46 0.00 0.00 6.66 2.43 -1.19 -2.79 114.38 119.95 1r2a h ARG 40 Ca 0.19 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1r2a h ARG 40 Cb 0.09 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1r2a h ARG 40 CO -0.13 0.10 -0.03 1.25 -1.51 0.00 0.00 179.97 179.65 1r2a h LEU 41 N 0.00 0.00 -0.09 3.80 6.46 0.16 -3.08 115.31 122.56 1r2a h LEU 41 Ca -0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.70 1r2a h LEU 41 Cb 0.68 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.60 1r2a h LEU 41 CO 0.01 0.03 -0.29 -0.09 -0.62 0.00 0.00 178.44 177.48 1r2a h ARG 42 N 0.00 0.00 0.00 1.25 2.43 -1.11 -3.01 114.38 113.94 1r2a h ARG 42 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1r2a h ARG 42 Cb 0.88 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1r2a h ARG 42 CO 0.00 0.29 0.00 0.93 -1.51 0.00 0.00 179.97 179.68 1r2a h GLU 43 N 0.00 0.00 0.00 0.20 4.39 -1.60 -3.26 114.58 114.31 1r2a h GLU 43 Ca -0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1r2a h GLU 43 Cb 1.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1r2a h GLU 43 CO 0.04 0.00 -0.59 0.00 -1.16 0.00 0.00 179.01 177.30 1r2a h ALA 44 N 2.05 0.06 -0.98 3.43 0.00 -1.62 -3.35 119.26 118.85 1r2a h ALA 44 Ca 0.00 -0.60 0.29 0.00 0.00 0.00 0.00 54.91 54.60 1r2a h ALA 44 Cb 0.91 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 1r2a h ALA 44 CO 0.00 0.47 0.82 -0.09 0.00 0.00 0.00 179.25 180.45 1r2a h ARG 45 N -1.00 0.00 0.00 0.00 9.65 -1.67 -3.53 114.38 117.84 1r2a h ARG 45 Ca -0.08 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1r2a h ARG 45 Cb 0.64 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 1r2a h ARG 45 CO -0.05 0.00 0.00 0.54 2.80 0.00 0.00 179.97 183.26