#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 0.61 0.00 -0.41 0.00 -1.26 -5.12 117.12 110.95 1r2a n MET 2 Ca 0.00 -1.98 0.00 0.00 -0.00 0.00 0.00 57.70 55.72 1r2a n MET 2 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 33.22 31.75 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 2.52 0.81 3.43 -5.12 0.00 -1.26 -4.98 105.19 100.59 1r2a n GLY 3 Ca 0.15 -1.36 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 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 0.00 0.69 0.09 1.61 2.46 -1.26 -5.17 115.29 113.71 1r2a s HIS 4 Ca 0.00 -0.99 0.07 0.00 0.47 0.00 0.00 55.06 54.61 1r2a s HIS 4 Cb 0.00 -0.12 -0.04 0.00 -0.13 0.00 0.00 32.58 32.30 1r2a s HIS 4 CO 0.00 -0.85 -0.13 0.42 -2.47 0.00 0.00 174.74 171.72 1r2a s ILE 5 N -4.08 3.20 0.02 0.89 1.09 -1.26 -5.13 121.20 115.93 1r2a s ILE 5 Ca 0.29 -1.27 0.04 0.00 -1.10 0.00 0.00 60.65 58.61 1r2a s ILE 5 Cb 0.02 -2.46 -0.02 0.00 -1.06 0.00 0.00 42.46 38.95 1r2a s ILE 5 CO 0.10 0.16 -0.12 -1.10 -0.10 0.00 0.00 174.94 173.88 1r2a s GLN 6 N -2.03 0.89 -0.39 2.79 -1.52 -1.26 -5.06 119.66 113.08 1r2a s GLN 6 Ca 0.19 -0.60 0.11 0.00 -1.95 0.00 0.00 55.36 53.11 1r2a s GLN 6 Cb -0.11 -0.87 0.36 0.00 -0.22 0.00 0.00 33.01 32.17 1r2a s GLN 6 CO 0.11 0.22 0.90 0.44 -0.25 0.00 0.00 175.29 176.72 1r2a n ILE 7 N 2.27 0.02 -2.29 1.08 -6.64 -1.26 -5.12 119.36 107.41 1r2a n ILE 7 Ca -0.16 -3.36 -0.37 0.00 -1.77 0.00 0.00 62.75 57.08 1r2a n ILE 7 Cb 0.55 0.42 -0.01 0.00 -1.44 0.00 0.00 39.64 39.15 1r2a n ILE 7 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 1r2a s PRO 8 N -1.59 3.87 0.19 6.28 0.04 -1.26 -5.04 135.00 137.49 1r2a s PRO 8 Ca 0.32 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 63.10 1r2a s PRO 8 Cb 0.35 -2.49 0.05 0.00 0.04 0.00 0.00 34.50 32.45 1r2a s PRO 8 CO -0.06 -0.46 0.21 -0.35 0.04 0.00 0.00 177.00 176.38 1r2a n PRO 9 N -0.31 -0.87 0.00 0.56 -0.04 -1.26 -4.31 135.00 128.77 1r2a n PRO 9 Ca 0.06 -0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 1r2a n PRO 9 Cb 0.48 -0.26 0.00 0.00 -0.04 0.00 0.00 33.50 33.67 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 2.22 2.24 0.17 0.55 0.00 -1.26 -4.70 105.19 104.40 1r2a n GLY 10 Ca 0.03 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 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 0.77 -0.97 0.99 5.85 -2.00 -3.28 115.31 116.67 1r2a h LEU 11 Ca 0.00 -0.69 -0.05 0.00 0.84 0.00 0.00 57.88 57.98 1r2a h LEU 11 Cb 0.00 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1r2a h LEU 11 CO 0.00 1.51 0.20 0.74 -0.34 0.00 0.00 178.44 180.54 1r2a h THR 12 N 0.26 1.23 -0.88 1.05 2.02 -1.84 -2.61 112.91 112.15 1r2a h THR 12 Ca -0.16 -0.80 0.12 0.00 0.77 0.00 0.00 66.41 66.34 1r2a h THR 12 Cb 1.84 0.54 -0.08 0.00 -1.74 0.00 0.00 68.15 68.71 1r2a h THR 12 CO 0.22 0.31 0.51 -0.33 0.37 0.00 0.00 175.52 176.60 1r2a h GLU 13 N 0.92 0.77 -0.24 6.66 5.08 -1.94 0.48 114.58 126.31 1r2a h GLU 13 Ca 0.21 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1r2a h GLU 13 Cb 0.26 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1r2a h GLU 13 CO -0.01 0.51 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.23 1r2a h LEU 14 N 0.79 0.60 0.10 1.33 3.38 -1.57 -2.70 115.31 117.23 1r2a h LEU 14 Ca 0.45 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1r2a h LEU 14 Cb 0.50 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1r2a h LEU 14 CO -0.29 0.94 -0.05 -0.07 0.09 0.00 0.00 178.44 179.06 1r2a h LEU 15 N 0.26 -0.11 -1.54 1.67 3.38 -1.07 -2.91 115.31 114.99 1r2a h LEU 15 Ca 0.04 -0.33 0.24 0.00 0.09 0.00 0.00 57.88 57.93 1r2a h LEU 15 Cb 0.76 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.47 1r2a h LEU 15 CO 0.05 0.28 0.65 -0.61 0.09 0.00 0.00 178.44 178.91 1r2a h GLN 16 N -0.52 0.32 0.84 1.13 4.15 -0.14 -0.94 115.11 119.95 1r2a h GLN 16 Ca -0.01 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.35 1r2a h GLN 16 Cb 0.43 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1r2a h GLN 16 CO 0.02 0.21 -0.43 0.78 -1.93 0.00 0.00 178.83 177.48 1r2a h GLY 17 N 0.33 -1.23 -0.24 2.39 0.00 -1.28 -2.61 103.07 100.42 1r2a h GLY 17 Ca 0.52 0.47 0.20 0.00 0.00 0.00 0.00 47.33 48.52 1r2a h GLY 17 CO -0.19 -0.44 0.25 -1.82 0.00 0.00 0.00 176.54 174.34 1r2a h TYR 18 N -1.16 0.39 -0.15 5.60 3.20 -1.10 0.94 116.97 124.69 1r2a h TYR 18 Ca -0.11 0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.85 1r2a h TYR 18 Cb 0.90 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 39.07 1r2a h TYR 18 CO -0.04 -0.12 -0.36 1.15 -1.64 0.00 0.00 178.16 177.16 1r2a h THR 19 N 0.28 0.23 -0.44 1.81 2.02 -1.10 1.22 112.91 116.94 1r2a h THR 19 Ca 0.50 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.65 1r2a h THR 19 Cb 0.94 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1r2a h THR 19 CO -0.57 0.00 0.15 0.58 0.37 0.00 0.00 175.52 176.05 1r2a h VAL 20 N -0.42 1.22 0.03 3.16 2.07 -0.69 -2.14 116.25 119.47 1r2a h VAL 20 Ca 0.09 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1r2a h VAL 20 Cb 0.58 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1r2a h VAL 20 CO -0.38 0.25 -0.05 -0.08 0.02 0.00 0.00 177.57 177.33 1r2a h GLU 21 N 0.57 -0.08 -0.21 1.57 4.81 0.27 0.97 114.58 122.49 1r2a h GLU 21 Ca 0.14 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.44 1r2a h GLU 21 Cb 0.24 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1r2a h GLU 21 CO -0.01 -0.05 0.42 0.28 -0.73 0.00 0.00 179.01 178.92 1r2a h VAL 22 N -0.08 0.17 0.00 0.32 2.07 0.14 0.68 116.25 119.55 1r2a h VAL 22 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1r2a h VAL 22 Cb 0.08 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1r2a h VAL 22 CO -0.02 0.00 -0.38 -0.07 0.02 0.00 0.00 177.57 177.12 1r2a h LEU 23 N 0.00 0.00 0.00 2.57 3.38 -0.49 -3.06 115.31 117.70 1r2a h LEU 23 Ca 0.10 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1r2a h LEU 23 Cb 0.95 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1r2a h LEU 23 CO -0.00 0.10 -1.44 -1.14 0.09 0.00 0.00 178.44 176.05 1r2a n ARG 24 N -3.01 0.50 -0.24 1.13 0.63 0.21 -4.57 116.66 111.31 1r2a n ARG 24 Ca 0.02 0.21 -0.01 0.00 -0.92 0.00 0.00 57.85 57.14 1r2a n ARG 24 Cb 0.58 -1.37 0.10 0.00 0.45 0.00 0.00 32.46 32.22 1r2a n ARG 24 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1r2a h GLN 25 N -0.91 0.73 -6.14 -0.14 7.50 -0.97 -3.46 115.11 111.72 1r2a h GLN 25 Ca -0.22 -0.04 -0.42 0.00 0.50 0.00 0.00 58.65 58.46 1r2a h GLN 25 Cb 1.14 -0.16 0.05 0.00 0.05 0.00 0.00 27.48 28.56 1r2a h GLN 25 CO -0.14 0.48 -0.87 0.94 -1.50 0.00 0.00 178.83 177.75 1r2a n GLN 26 N -4.74 -3.67 -1.73 1.46 0.00 -1.16 -4.93 117.38 102.61 1r2a n GLN 26 Ca 0.09 0.57 -0.32 0.00 -0.00 0.00 0.00 57.00 57.33 1r2a n GLN 26 Cb 0.16 -4.90 0.05 0.00 0.00 0.00 0.00 30.24 25.55 1r2a n GLN 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1r2a s PRO 27 N -5.96 2.85 0.30 3.69 0.04 -1.26 -4.95 135.00 129.71 1r2a s PRO 27 Ca 0.13 1.27 0.11 0.00 0.04 0.00 0.00 61.00 62.56 1r2a s PRO 27 Cb -0.04 -1.96 0.44 0.00 0.04 0.00 0.00 34.50 32.98 1r2a s PRO 27 CO 0.83 -1.20 1.66 -1.00 0.04 0.00 0.00 177.00 177.33 1r2a h PRO 28 N -0.13 0.00 -4.65 0.56 0.13 -2.02 -3.41 132.00 122.49 1r2a h PRO 28 Ca -0.46 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.07 1r2a h PRO 28 Cb 1.23 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.00 1r2a h PRO 28 CO 0.55 0.56 -0.83 -0.51 -0.23 0.00 0.00 178.00 177.53 1r2a s ASP 29 N -6.85 2.72 -0.01 1.44 1.11 -1.26 -5.01 116.67 108.81 1r2a s ASP 29 Ca -0.02 -0.51 -0.18 0.00 0.18 0.00 0.00 52.55 52.02 1r2a s ASP 29 Cb 0.13 -1.17 -0.34 0.00 1.07 0.00 0.00 42.92 42.61 1r2a s ASP 29 CO 0.75 -0.06 0.93 0.25 1.18 0.00 0.00 175.17 178.21 1r2a h LEU 30 N 8.05 0.68 0.07 1.23 5.85 -1.98 -2.78 115.31 126.43 1r2a h LEU 30 Ca -0.37 -0.93 0.02 0.00 0.84 0.00 0.00 57.88 57.43 1r2a h LEU 30 Cb 1.13 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 1r2a h LEU 30 CO 0.52 1.59 -0.53 0.58 -0.34 0.00 0.00 178.44 180.26 1r2a h VAL 31 N -0.07 0.01 -0.53 1.05 2.07 -1.99 0.83 116.25 117.61 1r2a h VAL 31 Ca -0.22 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1r2a h VAL 31 Cb 1.95 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 1r2a h VAL 31 CO 0.22 0.00 0.23 -0.78 0.02 0.00 0.00 177.57 177.26 1r2a h ASP 32 N -0.72 0.68 -0.39 0.57 1.82 -2.01 -2.47 116.42 113.90 1r2a h ASP 32 Ca 0.00 -0.07 -0.05 0.00 -0.39 0.00 0.00 57.03 56.52 1r2a h ASP 32 Cb 0.74 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.57 1r2a h ASP 32 CO -0.32 0.60 0.05 0.15 -1.61 0.00 0.00 179.24 178.11 1r2a h PHE 33 N 0.75 0.70 -0.73 0.28 3.57 -0.93 -0.02 116.94 120.57 1r2a h PHE 33 Ca 0.18 -0.11 0.07 0.00 3.53 0.00 0.00 57.97 61.65 1r2a h PHE 33 Cb 0.12 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 1r2a h PHE 33 CO 0.01 0.71 0.48 0.00 -2.23 0.00 0.00 178.31 177.27 1r2a h ALA 34 N 0.91 1.75 0.07 2.41 0.00 0.11 -0.93 119.26 123.58 1r2a h ALA 34 Ca 0.12 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 1r2a h ALA 34 Cb 0.40 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.03 1r2a h ALA 34 CO 0.01 0.12 -0.65 0.28 0.00 0.00 0.00 179.25 179.01 1r2a h VAL 35 N 0.71 1.50 -0.07 0.00 2.07 -1.16 -2.90 116.25 116.39 1r2a h VAL 35 Ca 0.32 -2.31 0.01 0.00 0.82 0.00 0.00 66.70 65.55 1r2a h VAL 35 Cb 0.33 2.95 -0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1r2a h VAL 35 CO -0.11 0.66 0.05 -0.33 0.02 0.00 0.00 177.57 177.86 1r2a h GLU 36 N -0.31 0.04 0.14 1.57 4.39 -0.55 0.43 114.58 120.28 1r2a h GLU 36 Ca -0.10 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1r2a h GLU 36 Cb 1.44 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 1r2a h GLU 36 CO 0.12 0.03 -0.07 -0.92 -1.16 0.00 0.00 179.01 177.01 1r2a h TYR 37 N 0.04 -0.17 -0.45 4.33 3.20 -1.23 -2.97 116.97 119.72 1r2a h TYR 37 Ca 0.03 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 1r2a h TYR 37 Cb 0.08 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1r2a h TYR 37 CO -0.00 0.04 0.05 0.74 -1.64 0.00 0.00 178.16 177.34 1r2a h PHE 38 N -1.02 0.82 -0.65 -3.82 0.04 -1.42 -2.86 116.94 108.03 1r2a h PHE 38 Ca -0.02 -0.12 0.09 0.00 2.80 0.00 0.00 57.97 60.71 1r2a h PHE 38 Cb 0.29 -0.22 -0.07 0.00 2.20 0.00 0.00 35.95 38.15 1r2a h PHE 38 CO 0.04 0.78 0.30 1.15 -0.60 0.00 0.00 178.31 179.98 1r2a h THR 39 N 0.62 0.83 -0.17 -1.55 2.02 -0.29 0.21 112.91 114.57 1r2a h THR 39 Ca 0.13 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1r2a h THR 39 Cb 0.42 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1r2a h THR 39 CO 0.01 0.09 0.01 -0.09 0.37 0.00 0.00 175.52 175.92 1r2a h ARG 40 N 0.52 0.24 0.00 6.66 9.65 -1.36 -1.32 114.38 128.77 1r2a h ARG 40 Ca 0.32 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 59.12 1r2a h ARG 40 Cb 0.34 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 1r2a h ARG 40 CO -0.27 0.26 -0.25 -0.07 2.80 0.00 0.00 179.97 182.44 1r2a h LEU 41 N 0.24 0.00 -1.12 3.80 4.07 -0.74 -2.33 115.31 119.23 1r2a h LEU 41 Ca 0.06 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.93 1r2a h LEU 41 Cb 0.15 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 1r2a h LEU 41 CO 0.00 0.25 -0.42 0.03 -1.08 0.00 0.00 178.44 177.22 1r2a h ARG 42 N 0.00 0.03 -0.19 1.13 2.47 -0.89 -2.80 114.38 114.13 1r2a h ARG 42 Ca -0.00 -0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.60 1r2a h ARG 42 Cb 0.49 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 1r2a h ARG 42 CO 0.03 0.45 -0.32 1.49 0.56 0.00 0.00 179.97 182.18 1r2a h GLU 43 N 0.03 0.40 0.17 0.04 4.81 -1.42 -3.25 114.58 115.35 1r2a h GLU 43 Ca -0.00 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1r2a h GLU 43 Cb 0.76 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 1r2a h GLU 43 CO 0.06 0.68 -0.29 0.00 -0.73 0.00 0.00 179.01 178.72 1r2a h ALA 44 N 1.32 -0.89 -2.09 2.92 0.00 -1.50 -3.42 119.26 115.60 1r2a h ALA 44 Ca 0.04 -0.08 -0.53 0.00 0.00 0.00 0.00 54.91 54.34 1r2a h ALA 44 Cb 0.74 0.62 0.22 0.00 0.00 0.00 0.00 17.79 19.37 1r2a h ALA 44 CO 0.06 -0.94 -0.97 0.54 0.00 0.00 0.00 179.25 177.94 1r2a n ARG 45 N -4.12 -0.27 0.00 0.00 3.00 -1.23 -5.17 116.66 108.87 1r2a n ARG 45 Ca -0.06 -0.05 0.00 0.00 -0.01 0.00 0.00 57.85 57.73 1r2a n ARG 45 Cb 0.25 -1.61 0.00 0.00 0.00 0.00 0.00 32.46 31.09 1r2a n ARG 45 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52