#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l6e s MET 2 N 0.00 1.13 0.00 -1.40 1.75 -1.26 -5.07 119.30 114.46 1l6e s MET 2 Ca 0.00 -0.45 0.00 0.00 -1.25 0.00 0.00 55.69 53.99 1l6e s MET 2 Cb 0.00 -1.95 0.00 0.00 2.84 0.00 0.00 34.83 35.72 1l6e s MET 2 CO 0.00 -0.48 0.00 0.41 -0.65 0.00 0.00 175.02 174.30 1l6e n GLY 3 N 4.94 -0.61 3.47 2.11 0.00 -1.26 -5.15 105.19 108.69 1l6e n GLY 3 Ca -0.10 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 1l6e n GLY 3 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1l6e s HIS 4 N -4.00 -0.59 0.25 1.61 0.00 -1.26 -5.18 115.29 106.13 1l6e s HIS 4 Ca 0.00 1.26 0.01 0.00 -3.00 0.00 0.00 55.06 53.33 1l6e s HIS 4 Cb 0.00 0.26 -0.04 0.00 -4.00 0.00 0.00 32.58 28.80 1l6e s HIS 4 CO 0.00 -0.41 0.14 -1.50 -1.00 0.00 0.00 174.74 171.97 1l6e s ILE 5 N -0.38 0.23 -0.43 -5.38 1.10 -1.26 -5.11 121.20 109.98 1l6e s ILE 5 Ca -0.05 -2.00 0.08 0.00 -0.51 0.00 0.00 60.65 58.17 1l6e s ILE 5 Cb -0.03 -2.54 0.27 0.00 0.15 0.00 0.00 42.46 40.31 1l6e s ILE 5 CO 0.04 0.00 0.74 1.67 -2.11 0.00 0.00 174.94 175.28 1l6e n GLN 6 N -0.43 0.81 -2.83 3.50 7.27 -1.26 -5.12 117.38 119.33 1l6e n GLN 6 Ca 0.02 -2.64 -0.41 0.00 0.07 0.00 0.00 57.00 54.04 1l6e n GLN 6 Cb 0.66 -1.35 -0.04 0.00 2.41 0.00 0.00 30.24 31.91 1l6e n GLN 6 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1l6e s ILE 7 N -0.64 4.64 0.82 1.69 1.09 -1.26 -5.03 121.20 122.50 1l6e s ILE 7 Ca 0.33 1.89 -0.11 0.00 -1.10 0.00 0.00 60.65 61.66 1l6e s ILE 7 Cb 0.23 -4.24 0.08 0.00 -1.06 0.00 0.00 42.46 37.47 1l6e s ILE 7 CO -0.14 0.32 1.09 -2.16 -0.10 0.00 0.00 174.94 173.95 1l6e s PRO 8 N 0.10 1.92 0.72 2.79 0.04 -1.26 -5.00 135.00 134.31 1l6e s PRO 8 Ca 0.44 0.94 -0.11 0.00 0.04 0.00 0.00 61.00 62.31 1l6e s PRO 8 Cb -0.22 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1l6e s PRO 8 CO 0.27 -1.81 1.07 -1.25 0.04 0.00 0.00 177.00 175.31 1l6e s PRO 9 N -4.97 2.75 0.00 0.56 0.04 -1.26 -3.61 135.00 128.52 1l6e s PRO 9 Ca 0.62 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1l6e s PRO 9 Cb -0.17 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1l6e s PRO 9 CO 0.56 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.78 1l6e n GLY 10 N -1.89 2.07 0.15 0.56 0.00 -1.26 -4.71 105.19 100.11 1l6e n GLY 10 Ca 0.08 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 1l6e n GLY 10 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1l6e h LEU 11 N 0.00 0.62 0.00 0.99 3.38 -1.97 -3.35 115.31 114.98 1l6e h LEU 11 Ca 0.00 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1l6e h LEU 11 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1l6e h LEU 11 CO 0.00 1.38 0.00 0.41 0.09 0.00 0.00 178.44 180.32 1l6e n THR 12 N -3.71 0.00 -0.29 0.22 -1.04 -1.26 0.17 114.28 108.38 1l6e n THR 12 Ca -0.09 1.26 0.02 0.00 -2.04 0.00 0.00 64.05 63.20 1l6e n THR 12 Cb 0.93 -1.81 0.07 0.00 -1.82 0.00 0.00 70.33 67.70 1l6e n THR 12 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1l6e n GLU 13 N -1.98 -0.12 0.17 -2.82 2.13 -1.26 0.18 120.64 116.94 1l6e n GLU 13 Ca 0.00 1.20 -0.07 0.00 0.66 0.00 0.00 57.16 58.95 1l6e n GLU 13 Cb 0.00 -1.78 -0.03 0.00 0.27 0.00 0.00 31.44 29.89 1l6e n GLU 13 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1l6e h LEU 14 N 0.00 -0.39 -0.05 4.31 3.38 -1.18 -2.13 115.31 119.25 1l6e h LEU 14 Ca 0.32 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.34 1l6e h LEU 14 Cb 0.52 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 1l6e h LEU 14 CO -0.78 -0.18 -0.42 -0.07 0.09 0.00 0.00 178.44 177.08 1l6e h LEU 15 N -0.65 -1.28 -0.66 1.67 3.38 0.31 -1.37 115.31 116.71 1l6e h LEU 15 Ca -0.05 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.17 1l6e h LEU 15 Cb 0.35 0.51 -0.11 0.00 0.09 0.00 0.00 40.66 41.50 1l6e h LEU 15 CO 0.08 -0.44 -0.48 -0.61 0.09 0.00 0.00 178.44 177.08 1l6e h GLN 16 N -0.54 -0.19 -0.65 1.13 4.15 0.19 0.41 115.11 119.60 1l6e h GLN 16 Ca 0.06 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.63 1l6e h GLN 16 Cb 0.64 0.04 -0.11 0.00 0.21 0.00 0.00 27.48 28.26 1l6e h GLN 16 CO -0.35 -0.13 -0.03 0.78 -1.93 0.00 0.00 178.83 177.18 1l6e h GLY 17 N -0.20 0.66 -0.85 2.39 0.00 -0.72 -1.31 103.07 103.04 1l6e h GLY 17 Ca 0.17 0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.69 1l6e h GLY 17 CO -0.74 -0.23 -0.50 2.98 0.00 0.00 0.00 176.54 178.05 1l6e n TYR 18 N -5.33 -0.37 -0.24 5.60 9.36 0.14 0.76 117.16 127.08 1l6e n TYR 18 Ca 0.10 1.06 0.04 0.00 3.32 0.00 0.00 57.90 62.42 1l6e n TYR 18 Cb 0.38 -0.57 0.17 0.00 -0.63 0.00 0.00 39.34 38.69 1l6e n TYR 18 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 1l6e h THR 19 N 0.00 0.61 0.00 2.97 2.02 -1.02 0.54 112.91 118.03 1l6e h THR 19 Ca 0.14 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1l6e h THR 19 Cb 0.35 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1l6e h THR 19 CO -0.80 0.06 -0.04 0.58 0.37 0.00 0.00 175.52 175.70 1l6e h VAL 20 N 0.35 0.77 0.00 3.16 2.07 0.62 -0.46 116.25 122.76 1l6e h VAL 20 Ca 0.40 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.71 1l6e h VAL 20 Cb 0.62 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1l6e h VAL 20 CO -0.43 0.04 -0.59 -0.33 0.02 0.00 0.00 177.57 176.27 1l6e h GLU 21 N 0.00 0.00 -0.01 1.57 5.08 0.24 -3.05 114.58 118.41 1l6e h GLU 21 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1l6e h GLU 21 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1l6e h GLU 21 CO 0.00 0.38 0.14 0.28 -1.00 0.00 0.00 179.01 178.81 1l6e h VAL 22 N -1.00 0.02 0.06 3.13 2.07 -0.28 0.04 116.25 120.29 1l6e h VAL 22 Ca -0.10 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.21 1l6e h VAL 22 Cb 0.69 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1l6e h VAL 22 CO -0.06 0.00 -1.10 -0.07 0.02 0.00 0.00 177.57 176.36 1l6e h LEU 23 N 0.00 0.21 0.26 2.57 4.07 -1.21 -0.82 115.31 120.40 1l6e h LEU 23 Ca 0.00 -0.79 -0.01 0.00 0.08 0.00 0.00 57.88 57.16 1l6e h LEU 23 Cb 0.27 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1l6e h LEU 23 CO -0.00 1.47 -0.13 0.03 -1.08 0.00 0.00 178.44 178.73 1l6e h ARG 24 N -0.62 -0.34 0.00 1.13 -0.00 -1.27 -3.25 114.38 110.04 1l6e h ARG 24 Ca -0.26 0.02 -0.16 0.00 -0.50 0.00 0.00 59.98 59.09 1l6e h ARG 24 Cb 1.50 0.08 -0.02 0.00 0.00 0.00 0.00 29.97 31.52 1l6e h ARG 24 CO -0.02 0.00 -0.76 1.96 0.00 0.00 0.00 179.97 181.16 1l6e h GLN 25 N -0.76 0.00 -6.58 0.04 1.08 -1.21 -3.48 115.11 104.20 1l6e h GLN 25 Ca -0.04 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.72 1l6e h GLN 25 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1l6e h GLN 25 CO 0.06 0.76 -1.02 0.94 -0.95 0.00 0.00 178.83 178.62 1l6e n GLN 26 N -3.42 -1.43 -1.21 1.46 7.27 -0.31 -4.88 117.38 114.88 1l6e n GLN 26 Ca 0.00 0.71 -0.30 0.00 0.07 0.00 0.00 57.00 57.48 1l6e n GLN 26 Cb 0.79 -1.99 0.13 0.00 2.41 0.00 0.00 30.24 31.59 1l6e n GLN 26 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1l6e s PRO 27 N -4.56 1.36 0.17 3.69 0.04 -1.26 -4.96 135.00 129.48 1l6e s PRO 27 Ca 0.02 0.86 -0.08 0.00 0.04 0.00 0.00 61.00 61.84 1l6e s PRO 27 Cb -0.00 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.76 1l6e s PRO 27 CO 0.81 -2.18 1.52 -1.00 0.04 0.00 0.00 177.00 176.19 1l6e h PRO 28 N -1.51 0.86 -5.72 0.56 0.13 -1.99 -3.44 132.00 120.89 1l6e h PRO 28 Ca -0.49 -0.43 -0.49 0.00 -0.87 0.00 0.00 66.00 63.72 1l6e h PRO 28 Cb 1.28 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.18 1l6e h PRO 28 CO 0.54 1.07 -0.81 -0.51 -0.23 0.00 0.00 178.00 178.07 1l6e s ASP 29 N -6.83 2.07 -0.17 1.44 1.01 -1.26 -5.07 116.67 107.87 1l6e s ASP 29 Ca -0.10 -0.59 -0.14 0.00 0.71 0.00 0.00 52.55 52.44 1l6e s ASP 29 Cb 0.12 -0.12 -0.09 0.00 1.01 0.00 0.00 42.92 43.84 1l6e s ASP 29 CO 0.87 0.03 -0.03 0.25 0.21 0.00 0.00 175.17 176.50 1l6e h LEU 30 N 4.47 0.00 -0.73 1.23 7.12 -1.98 -3.19 115.31 122.22 1l6e h LEU 30 Ca -0.42 -0.19 0.07 0.00 0.13 0.00 0.00 57.88 57.46 1l6e h LEU 30 Cb 1.18 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 41.22 1l6e h LEU 30 CO 0.41 1.03 -0.42 0.52 -0.13 0.00 0.00 178.44 179.86 1l6e n VAL 31 N -4.55 -0.49 -0.03 1.05 0.31 -1.26 0.86 118.33 114.23 1l6e n VAL 31 Ca -0.17 1.76 -0.10 0.00 -0.01 0.00 0.00 64.34 65.82 1l6e n VAL 31 Cb 0.42 -2.18 -0.04 0.00 -0.91 0.00 0.00 33.84 31.13 1l6e n VAL 31 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1l6e h ASP 32 N 0.00 0.14 -0.63 4.52 1.82 -2.01 -1.47 116.42 118.79 1l6e h ASP 32 Ca 0.13 0.00 0.11 0.00 -0.39 0.00 0.00 57.03 56.88 1l6e h ASP 32 Cb 0.31 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.26 1l6e h ASP 32 CO -0.69 0.11 0.42 0.15 -1.61 0.00 0.00 179.24 177.62 1l6e h PHE 33 N 0.19 0.43 0.03 0.28 3.57 0.48 -0.61 116.94 121.31 1l6e h PHE 33 Ca 0.06 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1l6e h PHE 33 Cb 0.00 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1l6e h PHE 33 CO -0.08 0.20 -0.01 0.00 -2.23 0.00 0.00 178.31 176.18 1l6e h ALA 34 N 1.69 -0.04 -0.71 2.41 0.00 0.13 -1.44 119.26 121.30 1l6e h ALA 34 Ca 0.30 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1l6e h ALA 34 Cb 0.62 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1l6e h ALA 34 CO -0.08 -0.40 0.33 0.28 0.00 0.00 0.00 179.25 179.38 1l6e h VAL 35 N -0.29 1.23 -0.43 0.00 2.07 -0.74 -2.05 116.25 116.04 1l6e h VAL 35 Ca -0.00 -0.67 -0.11 0.00 0.82 0.00 0.00 66.70 66.73 1l6e h VAL 35 Cb 0.27 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1l6e h VAL 35 CO 0.01 0.28 -0.19 1.05 0.02 0.00 0.00 177.57 178.74 1l6e h GLU 36 N 1.01 0.85 0.00 1.57 4.11 -1.01 -2.04 114.58 119.07 1l6e h GLU 36 Ca 0.24 -0.33 0.00 0.00 0.07 0.00 0.00 59.36 59.34 1l6e h GLU 36 Cb 0.13 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1l6e h GLU 36 CO -0.03 0.97 0.00 0.98 0.07 0.00 0.00 179.01 181.00 1l6e n TYR 37 N -4.12 0.00 0.12 2.06 9.36 -0.55 -2.65 117.16 121.37 1l6e n TYR 37 Ca 0.00 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 61.08 1l6e n TYR 37 Cb 0.42 -0.47 -0.09 0.00 -0.63 0.00 0.00 39.34 38.58 1l6e n TYR 37 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1l6e h PHE 38 N 0.00 -1.32 -0.87 2.98 0.04 -1.52 -0.33 116.94 115.92 1l6e h PHE 38 Ca 0.00 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.89 1l6e h PHE 38 Cb 0.00 0.56 -0.11 0.00 2.20 0.00 0.00 35.95 38.59 1l6e h PHE 38 CO 0.08 -0.53 -0.57 1.15 -0.60 0.00 0.00 178.31 177.84 1l6e h THR 39 N -0.68 0.00 -0.46 -1.55 2.02 -1.54 1.92 112.91 112.62 1l6e h THR 39 Ca -0.01 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.30 1l6e h THR 39 Cb 0.67 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1l6e h THR 39 CO -0.22 0.00 0.39 -0.09 0.37 0.00 0.00 175.52 175.97 1l6e h ARG 40 N -0.09 0.00 0.19 6.66 1.12 -1.23 -1.28 114.38 119.75 1l6e h ARG 40 Ca 0.15 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.01 1l6e h ARG 40 Cb 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.42 1l6e h ARG 40 CO -0.87 0.00 -0.09 -0.07 -3.11 0.00 0.00 179.97 175.84 1l6e h LEU 41 N 0.00 -0.21 -0.75 3.80 3.38 0.47 2.15 115.31 124.16 1l6e h LEU 41 Ca 0.22 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1l6e h LEU 41 Cb 1.00 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 1l6e h LEU 41 CO -0.00 0.26 0.45 0.03 0.09 0.00 0.00 178.44 179.27 1l6e h ARG 42 N -0.75 0.81 -0.68 1.13 3.08 -0.19 -1.76 114.38 116.02 1l6e h ARG 42 Ca -0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1l6e h ARG 42 Cb 0.51 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1l6e h ARG 42 CO 0.04 0.54 0.00 0.39 -1.07 0.00 0.00 179.97 179.87 1l6e n GLU 43 N -4.69 3.25 -0.00 0.04 -0.58 -0.57 -4.76 120.64 113.33 1l6e n GLU 43 Ca 0.10 -2.77 -0.00 0.00 -0.42 0.00 0.00 57.16 54.06 1l6e n GLU 43 Cb 0.15 -1.73 -0.00 0.00 -0.57 0.00 0.00 31.44 29.29 1l6e n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1l6e n ALA 44 N 1.34 -0.01 -0.97 0.62 0.00 0.73 -4.33 120.51 117.89 1l6e n ALA 44 Ca 0.25 0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.36 1l6e n ALA 44 Cb 0.76 0.01 0.03 0.00 0.00 0.00 0.00 19.45 20.25 1l6e n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1l6e n ARG 45 N -2.88 0.00 0.00 0.00 1.74 -1.26 -4.99 116.66 109.27 1l6e n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1l6e n ARG 45 Cb 0.00 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 1l6e n ARG 45 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65