#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 3.43 0.31 -1.40 1.75 -1.26 -4.98 119.30 117.15 1r2a s MET 2 Ca 0.00 0.92 0.07 0.00 -1.25 0.00 0.00 55.69 55.44 1r2a s MET 2 Cb 0.00 -4.09 -0.06 0.00 2.84 0.00 0.00 34.83 33.52 1r2a s MET 2 CO 0.00 -1.74 -0.06 0.20 -0.65 0.00 0.00 175.02 172.77 1r2a s GLY 3 N 4.63 1.99 0.41 2.11 0.00 -1.26 -5.16 107.32 110.03 1r2a s GLY 3 Ca 0.63 -1.99 0.03 0.00 0.00 0.00 0.00 44.72 43.40 1r2a s GLY 3 CO 0.31 -1.91 0.10 0.30 0.00 0.00 0.00 173.10 171.90 1r2a s HIS 4 N -2.90 1.84 -0.34 1.90 3.76 -1.26 -5.12 115.29 113.17 1r2a s HIS 4 Ca 0.31 -1.17 -0.07 0.00 -0.15 0.00 0.00 55.06 53.99 1r2a s HIS 4 Cb 0.04 -1.25 0.04 0.00 1.11 0.00 0.00 32.58 32.51 1r2a s HIS 4 CO 0.14 -0.15 0.11 0.42 -0.85 0.00 0.00 174.74 174.40 1r2a s ILE 5 N -3.18 3.85 -0.75 0.60 1.09 -1.26 -5.03 121.20 116.52 1r2a s ILE 5 Ca 0.24 -1.08 -0.00 0.00 -1.10 0.00 0.00 60.65 58.71 1r2a s ILE 5 Cb 0.04 -3.16 0.19 0.00 -1.06 0.00 0.00 42.46 38.46 1r2a s ILE 5 CO 0.13 -0.16 0.58 -1.10 -0.10 0.00 0.00 174.94 174.29 1r2a s GLN 6 N 1.42 2.80 0.53 2.79 -1.52 -1.26 -5.08 119.66 119.35 1r2a s GLN 6 Ca -0.01 -3.03 -0.21 0.00 -1.95 0.00 0.00 55.36 50.15 1r2a s GLN 6 Cb -0.19 -3.73 -0.05 0.00 -0.22 0.00 0.00 33.01 28.81 1r2a s GLN 6 CO 0.03 -1.23 1.23 0.96 -0.25 0.00 0.00 175.29 176.03 1r2a s ILE 7 N -0.93 2.66 -0.14 1.08 -5.25 -1.26 -4.93 121.20 112.44 1r2a s ILE 7 Ca 0.23 0.46 -0.29 0.00 -0.99 0.00 0.00 60.65 60.06 1r2a s ILE 7 Cb -0.12 -3.22 -0.03 0.00 2.95 0.00 0.00 42.46 42.05 1r2a s ILE 7 CO -0.10 -0.04 1.43 -2.16 -1.79 0.00 0.00 174.94 172.28 1r2a s PRO 8 N -3.00 4.16 0.72 0.37 0.04 -1.26 -5.00 135.00 131.03 1r2a s PRO 8 Ca 0.71 1.81 -0.12 0.00 0.04 0.00 0.00 61.00 63.45 1r2a s PRO 8 Cb -0.32 -3.87 0.03 0.00 0.04 0.00 0.00 34.50 30.38 1r2a s PRO 8 CO 0.37 -0.83 1.09 -1.25 0.04 0.00 0.00 177.00 176.42 1r2a s PRO 9 N 3.83 2.56 0.00 0.56 0.04 -1.26 -3.90 135.00 136.82 1r2a s PRO 9 Ca 0.63 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1r2a s PRO 9 Cb -0.26 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1r2a s PRO 9 CO 0.21 -1.41 0.00 0.41 0.04 0.00 0.00 177.00 176.25 1r2a n GLY 10 N -1.22 2.64 0.25 0.56 0.00 -1.26 -4.87 105.19 101.28 1r2a n GLY 10 Ca 0.09 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.52 0.99 6.46 -2.00 -2.57 115.31 117.66 1r2a h LEU 11 Ca 0.00 0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.81 1r2a h LEU 11 Cb 0.00 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 39.88 1r2a h LEU 11 CO 0.00 0.10 0.25 0.74 -0.62 0.00 0.00 178.44 178.91 1r2a h THR 12 N 0.00 0.93 -0.68 1.05 2.02 -1.89 -0.10 112.91 114.24 1r2a h THR 12 Ca -0.00 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 1r2a h THR 12 Cb 0.18 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1r2a h THR 12 CO 0.01 0.09 0.42 -0.33 0.37 0.00 0.00 175.52 176.08 1r2a h GLU 13 N 0.49 0.91 -0.06 6.66 5.08 -1.88 0.72 114.58 126.49 1r2a h GLU 13 Ca 0.24 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1r2a h GLU 13 Cb 0.17 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1r2a h GLU 13 CO -0.18 0.63 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.27 1r2a h LEU 14 N 0.93 0.21 0.61 1.33 4.07 -1.31 -2.47 115.31 118.68 1r2a h LEU 14 Ca 0.25 -0.56 -0.03 0.00 0.08 0.00 0.00 57.88 57.62 1r2a h LEU 14 Cb -0.06 -0.06 0.01 0.00 1.08 0.00 0.00 40.66 41.63 1r2a h LEU 14 CO -0.05 0.73 -0.29 -0.07 -1.08 0.00 0.00 178.44 177.68 1r2a h LEU 15 N -0.31 -0.70 -1.85 1.67 -0.00 -0.82 -2.57 115.31 110.74 1r2a h LEU 15 Ca 0.00 -0.02 0.12 0.00 -0.00 0.00 0.00 57.88 57.98 1r2a h LEU 15 Cb 0.69 0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.52 1r2a h LEU 15 CO 0.03 -0.34 0.52 -0.61 -0.00 0.00 0.00 178.44 178.03 1r2a h GLN 16 N -1.09 0.00 0.53 1.13 4.15 -0.98 -0.94 115.11 117.91 1r2a h GLN 16 Ca -0.08 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 1r2a h GLN 16 Cb 0.68 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.37 1r2a h GLN 16 CO 0.14 0.00 -0.26 0.78 -1.93 0.00 0.00 178.83 177.56 1r2a h GLY 17 N 0.00 -0.74 -0.20 2.39 0.00 -1.03 -2.78 103.07 100.70 1r2a h GLY 17 Ca 0.19 0.28 0.28 0.00 0.00 0.00 0.00 47.33 48.08 1r2a h GLY 17 CO -0.00 -0.27 0.69 -1.82 0.00 0.00 0.00 176.54 175.14 1r2a h TYR 18 N -1.01 0.59 -0.75 5.60 3.20 -1.00 0.43 116.97 124.03 1r2a h TYR 18 Ca -0.07 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.78 1r2a h TYR 18 Cb 0.62 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 1r2a h TYR 18 CO 0.01 0.04 0.30 1.15 -1.64 0.00 0.00 178.16 178.02 1r2a h THR 19 N 0.34 1.25 0.00 1.81 2.02 -1.33 0.18 112.91 117.18 1r2a h THR 19 Ca 0.60 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 1r2a h THR 19 Cb 1.63 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1r2a h THR 19 CO -0.28 0.32 -0.24 0.58 0.37 0.00 0.00 175.52 176.27 1r2a h VAL 20 N 1.09 0.25 0.00 3.16 2.07 0.04 -2.99 116.25 119.87 1r2a h VAL 20 Ca 0.25 -1.36 -0.08 0.00 0.82 0.00 0.00 66.70 66.33 1r2a h VAL 20 Cb 0.20 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1r2a h VAL 20 CO -0.02 0.14 -0.62 -0.33 0.02 0.00 0.00 177.57 176.76 1r2a h GLU 21 N 0.00 0.00 -0.40 1.57 5.08 -0.65 -2.06 114.58 118.12 1r2a h GLU 21 Ca -0.01 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1r2a h GLU 21 Cb 1.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1r2a h GLU 21 CO 0.02 0.49 0.28 0.28 -1.00 0.00 0.00 179.01 179.08 1r2a h VAL 22 N -1.00 0.87 0.13 3.13 2.07 -0.80 0.48 116.25 121.12 1r2a h VAL 22 Ca -0.12 -0.05 -0.32 0.00 0.82 0.00 0.00 66.70 67.03 1r2a h VAL 22 Cb 0.78 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1r2a h VAL 22 CO -0.07 0.02 -1.68 -0.07 0.02 0.00 0.00 177.57 175.79 1r2a h LEU 23 N 0.14 0.43 0.14 2.57 3.38 -1.67 -1.94 115.31 118.36 1r2a h LEU 23 Ca 0.18 -0.89 -0.01 0.00 0.09 0.00 0.00 57.88 57.26 1r2a h LEU 23 Cb 0.56 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1r2a h LEU 23 CO -0.02 1.73 -0.06 -0.09 0.09 0.00 0.00 178.44 180.08 1r2a h ARG 24 N -0.12 -0.17 -0.05 1.13 2.43 -0.95 -3.30 114.38 113.33 1r2a h ARG 24 Ca -0.36 0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 58.63 1r2a h ARG 24 Cb 1.91 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 31.49 1r2a h ARG 24 CO 0.08 0.28 -0.80 0.37 -1.51 0.00 0.00 179.97 178.39 1r2a h GLN 25 N -0.78 0.41 -6.14 0.20 4.15 -0.25 -3.48 115.11 109.23 1r2a h GLN 25 Ca -0.02 -0.37 -0.35 0.00 0.77 0.00 0.00 58.65 58.68 1r2a h GLN 25 Cb 0.54 0.09 0.06 0.00 0.21 0.00 0.00 27.48 28.37 1r2a h GLN 25 CO 0.03 1.02 -0.78 1.04 -1.93 0.00 0.00 178.83 178.22 1r2a n GLN 26 N -3.81 -1.32 -2.17 1.69 6.02 -0.73 -4.91 117.38 112.16 1r2a n GLN 26 Ca -0.05 0.74 -0.34 0.00 -0.01 0.00 0.00 57.00 57.34 1r2a n GLN 26 Cb 0.75 -4.13 0.01 0.00 1.02 0.00 0.00 30.24 27.89 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 -5.12 3.27 0.48 -1.09 0.04 -1.26 -4.93 135.00 126.39 1r2a s PRO 27 Ca 0.28 1.52 0.27 0.00 0.04 0.00 0.00 61.00 63.12 1r2a s PRO 27 Cb -0.10 -2.00 1.04 0.00 0.04 0.00 0.00 34.50 33.48 1r2a s PRO 27 CO 0.84 -0.90 1.87 -1.00 0.04 0.00 0.00 177.00 177.86 1r2a h PRO 28 N 0.95 0.00 -3.68 0.56 0.13 -1.99 -3.41 132.00 124.56 1r2a h PRO 28 Ca -0.49 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.17 1r2a h PRO 28 Cb 1.25 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.00 1r2a h PRO 28 CO 0.56 0.14 -0.77 0.16 -0.23 0.00 0.00 178.00 177.87 1r2a s ASP 29 N -6.03 2.12 0.07 1.44 1.47 -1.26 -5.01 116.67 109.47 1r2a s ASP 29 Ca 0.01 -0.37 -0.02 0.00 1.18 0.00 0.00 52.55 53.34 1r2a s ASP 29 Cb 0.10 -0.53 -0.27 0.00 -0.34 0.00 0.00 42.92 41.88 1r2a s ASP 29 CO 0.61 -0.23 1.13 0.25 0.68 0.00 0.00 175.17 177.61 1r2a h LEU 30 N 8.29 0.35 0.07 2.11 5.85 -1.99 -3.14 115.31 126.84 1r2a h LEU 30 Ca -0.19 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.14 1r2a h LEU 30 Cb 1.12 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1r2a h LEU 30 CO 0.30 1.31 -0.20 0.58 -0.34 0.00 0.00 178.44 180.08 1r2a h VAL 31 N 0.06 0.00 -0.97 1.05 2.07 -1.99 0.78 116.25 117.26 1r2a h VAL 31 Ca -0.13 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.52 1r2a h VAL 31 Cb 1.95 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.63 1r2a h VAL 31 CO 0.19 0.00 0.60 -0.78 0.02 0.00 0.00 177.57 177.59 1r2a h ASP 32 N -0.30 0.86 0.48 0.57 1.82 -1.99 -1.06 116.42 116.80 1r2a h ASP 32 Ca -0.01 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.67 1r2a h ASP 32 Cb 0.30 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.20 1r2a h ASP 32 CO -0.10 0.44 -0.23 0.15 -1.61 0.00 0.00 179.24 177.89 1r2a h PHE 33 N 0.92 -0.60 -0.96 0.28 3.57 -1.31 0.58 116.94 119.41 1r2a h PHE 33 Ca 0.49 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 62.14 1r2a h PHE 33 Cb 0.53 0.20 -0.09 0.00 2.79 0.00 0.00 35.95 39.38 1r2a h PHE 33 CO -0.02 -0.35 0.61 0.00 -2.23 0.00 0.00 178.31 176.32 1r2a h ALA 34 N -0.19 1.75 0.00 2.41 0.00 0.13 0.87 119.26 124.22 1r2a h ALA 34 Ca -0.07 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1r2a h ALA 34 Cb 0.52 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1r2a h ALA 34 CO 0.11 -0.04 -0.62 0.28 0.00 0.00 0.00 179.25 178.98 1r2a h VAL 35 N 0.76 1.15 0.00 0.00 2.07 -0.77 -2.94 116.25 116.52 1r2a h VAL 35 Ca 0.51 -2.36 -0.04 0.00 0.82 0.00 0.00 66.70 65.63 1r2a h VAL 35 Cb 0.78 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1r2a h VAL 35 CO -0.28 0.60 -0.22 -0.08 0.02 0.00 0.00 177.57 177.61 1r2a h GLU 36 N 0.00 0.00 0.47 1.57 4.57 0.33 -2.95 114.58 118.57 1r2a h GLU 36 Ca -0.01 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1r2a h GLU 36 Cb 1.34 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.92 1r2a h GLU 36 CO 0.08 0.81 -0.35 -0.92 -1.18 0.00 0.00 179.01 177.45 1r2a h TYR 37 N -1.00 -0.94 -0.14 0.92 3.20 0.48 -1.66 116.97 117.83 1r2a h TYR 37 Ca -0.06 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.86 1r2a h TYR 37 Cb 0.88 0.35 -0.05 0.00 1.54 0.00 0.00 36.73 39.44 1r2a h TYR 37 CO 0.19 -0.49 -0.18 0.74 -1.64 0.00 0.00 178.16 176.78 1r2a h PHE 38 N -0.78 -0.46 -0.33 -3.82 0.04 -1.71 0.70 116.94 110.58 1r2a h PHE 38 Ca -0.06 0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.83 1r2a h PHE 38 Cb 0.65 0.23 -0.01 0.00 2.20 0.00 0.00 35.95 39.01 1r2a h PHE 38 CO -0.10 -0.25 0.40 1.15 -0.60 0.00 0.00 178.31 178.91 1r2a h THR 39 N -0.22 0.33 0.00 -1.55 2.02 -1.46 0.49 112.91 112.52 1r2a h THR 39 Ca 0.10 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.17 1r2a h THR 39 Cb 0.37 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1r2a h THR 39 CO -0.27 0.00 -0.53 -0.09 0.37 0.00 0.00 175.52 175.00 1r2a h ARG 40 N 0.00 0.00 0.00 6.66 2.43 0.13 -3.17 114.38 120.43 1r2a h ARG 40 Ca 0.16 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1r2a h ARG 40 Cb 0.96 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1r2a h ARG 40 CO -0.00 0.53 -0.36 -0.07 -1.51 0.00 0.00 179.97 178.56 1r2a h LEU 41 N 0.00 0.00 -0.94 3.80 3.38 0.41 -2.94 115.31 119.02 1r2a h LEU 41 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1r2a h LEU 41 Cb 1.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 1r2a h LEU 41 CO 0.07 0.36 -0.50 -0.09 0.09 0.00 0.00 178.44 178.37 1r2a h ARG 42 N 0.00 0.00 -0.32 1.13 2.43 -1.48 -2.97 114.38 113.17 1r2a h ARG 42 Ca -0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 1r2a h ARG 42 Cb 0.96 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 1r2a h ARG 42 CO 0.05 0.50 -0.16 0.93 -1.51 0.00 0.00 179.97 179.77 1r2a h GLU 43 N 0.00 0.57 0.47 0.20 5.08 -1.60 -2.89 114.58 116.40 1r2a h GLU 43 Ca -0.01 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1r2a h GLU 43 Cb 0.94 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1r2a h GLU 43 CO 0.07 0.71 -0.22 0.00 -1.00 0.00 0.00 179.01 178.56 1r2a h ALA 44 N 1.31 -1.16 -0.43 3.43 0.00 -1.59 -3.32 119.26 117.49 1r2a h ALA 44 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1r2a h ALA 44 Cb 0.58 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1r2a h ALA 44 CO 0.04 -1.12 0.00 0.54 0.00 0.00 0.00 179.25 178.71 1r2a n ARG 45 N -3.69 0.00 0.00 0.00 5.12 -1.23 -5.17 116.66 111.69 1r2a n ARG 45 Ca -0.08 0.68 0.14 0.00 -1.93 0.00 0.00 57.85 56.67 1r2a n ARG 45 Cb 0.25 -1.43 0.58 0.00 -1.16 0.00 0.00 32.46 30.70 1r2a n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57