#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l6e n MET 2 N 0.00 0.00 0.00 -0.41 0.00 -1.26 -5.15 117.12 110.30 1l6e n MET 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1l6e n MET 2 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 33.22 32.67 1l6e n MET 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1l6e n GLY 3 N 3.02 -2.63 0.00 3.03 0.00 -1.26 -4.91 105.19 102.44 1l6e n GLY 3 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1l6e n GLY 3 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1l6e n HIS 4 N -1.95 0.00 -4.15 1.61 -0.00 -1.26 -5.06 115.22 104.42 1l6e n HIS 4 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.44 1l6e n HIS 4 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.91 1l6e n HIS 4 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1l6e s ILE 5 N -0.15 3.96 -0.33 1.59 -1.09 -1.26 -5.04 121.20 118.88 1l6e s ILE 5 Ca 0.00 -1.17 0.17 0.00 -2.23 0.00 0.00 60.65 57.42 1l6e s ILE 5 Cb 0.00 -2.94 0.45 0.00 -1.58 0.00 0.00 42.46 38.39 1l6e s ILE 5 CO 0.00 0.00 1.05 1.67 -1.23 0.00 0.00 174.94 176.43 1l6e n GLN 6 N 0.19 1.22 -3.56 2.79 7.27 -1.26 -5.03 117.38 118.99 1l6e n GLN 6 Ca -0.10 -3.00 -0.29 0.00 0.07 0.00 0.00 57.00 53.68 1l6e n GLN 6 Cb 0.53 -1.05 -0.14 0.00 2.41 0.00 0.00 30.24 32.00 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 -2.58 0.28 -0.36 1.69 -1.09 -1.26 -5.09 121.20 112.78 1l6e s ILE 7 Ca 0.26 -1.30 -0.29 0.00 -2.23 0.00 0.00 60.65 57.09 1l6e s ILE 7 Cb 0.43 -1.22 -0.00 0.00 -1.58 0.00 0.00 42.46 40.09 1l6e s ILE 7 CO 0.01 -0.81 1.55 -2.16 -1.23 0.00 0.00 174.94 172.30 1l6e s PRO 8 N 1.56 3.53 0.40 2.79 0.04 -1.26 -4.99 135.00 137.08 1l6e s PRO 8 Ca 0.13 1.18 -0.24 0.00 0.04 0.00 0.00 61.00 62.11 1l6e s PRO 8 Cb -0.19 -4.08 -0.09 0.00 0.04 0.00 0.00 34.50 30.18 1l6e s PRO 8 CO -0.20 -1.62 1.04 -1.25 0.04 0.00 0.00 177.00 175.01 1l6e s PRO 9 N 5.11 4.16 -0.04 0.56 0.04 -1.26 -3.10 135.00 140.48 1l6e s PRO 9 Ca 0.68 1.47 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1l6e s PRO 9 Cb -0.18 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1l6e s PRO 9 CO 0.32 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.64 1l6e n GLY 10 N 0.25 0.10 0.14 0.56 0.00 -1.26 -4.80 105.19 100.19 1l6e n GLY 10 Ca 0.05 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 1l6e n GLY 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1l6e h LEU 11 N 0.00 0.45 0.00 0.99 7.12 -1.96 -3.29 115.31 118.62 1l6e h LEU 11 Ca -0.01 -0.93 0.00 0.00 0.13 0.00 0.00 57.88 57.08 1l6e h LEU 11 Cb 0.87 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.85 1l6e h LEU 11 CO 0.01 1.81 0.00 0.41 -0.13 0.00 0.00 178.44 180.54 1l6e n THR 12 N -3.59 0.00 -0.26 1.05 -1.04 -1.26 -1.34 114.28 107.84 1l6e n THR 12 Ca -0.30 1.47 -0.10 0.00 -2.04 0.00 0.00 64.05 63.08 1l6e n THR 12 Cb 1.03 -2.44 -0.08 0.00 -1.82 0.00 0.00 70.33 67.01 1l6e n THR 12 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1l6e h GLU 13 N 0.00 -0.11 -0.50 -2.82 4.57 -1.97 0.33 114.58 114.07 1l6e h GLU 13 Ca 0.00 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.24 1l6e h GLU 13 Cb 0.00 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.54 1l6e h GLU 13 CO 0.00 -0.07 -0.45 -0.07 -1.18 0.00 0.00 179.01 177.23 1l6e h LEU 14 N -0.11 -1.57 -0.36 1.64 3.38 -1.62 -0.08 115.31 116.58 1l6e h LEU 14 Ca 0.11 0.22 0.07 0.00 0.09 0.00 0.00 57.88 58.37 1l6e h LEU 14 Cb 0.39 0.67 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 1l6e h LEU 14 CO -0.67 -0.27 -0.11 -0.07 0.09 0.00 0.00 178.44 177.41 1l6e h LEU 15 N -0.19 -0.39 -0.64 1.67 3.38 -0.01 -2.48 115.31 116.64 1l6e h LEU 15 Ca 0.08 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.23 1l6e h LEU 15 Cb 0.41 0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.32 1l6e h LEU 15 CO -0.58 -0.14 -0.48 -0.61 0.09 0.00 0.00 178.44 176.72 1l6e h GLN 16 N -0.03 -0.12 -0.79 1.13 4.15 0.15 0.35 115.11 119.94 1l6e h GLN 16 Ca 0.17 0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.77 1l6e h GLN 16 Cb 0.29 0.03 -0.15 0.00 0.21 0.00 0.00 27.48 27.86 1l6e h GLN 16 CO -0.38 -0.08 -0.16 0.78 -1.93 0.00 0.00 178.83 177.06 1l6e h GLY 17 N -0.13 0.64 -0.62 2.39 0.00 -0.88 -0.77 103.07 103.70 1l6e h GLY 17 Ca 0.11 0.23 0.06 0.00 0.00 0.00 0.00 47.33 47.72 1l6e h GLY 17 CO -0.67 -0.31 -0.41 -1.82 0.00 0.00 0.00 176.54 173.32 1l6e h TYR 18 N 0.02 -1.32 -0.99 5.60 3.20 -0.09 0.93 116.97 124.32 1l6e h TYR 18 Ca 0.39 0.08 0.24 0.00 3.14 0.00 0.00 58.73 62.59 1l6e h TYR 18 Cb 0.63 0.66 -0.08 0.00 1.54 0.00 0.00 36.73 39.47 1l6e h TYR 18 CO -0.59 -0.28 0.65 1.15 -1.64 0.00 0.00 178.16 177.45 1l6e h THR 19 N -0.06 0.59 0.00 1.81 2.02 -0.89 0.68 112.91 117.06 1l6e h THR 19 Ca 0.10 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 1l6e h THR 19 Cb 0.32 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 1l6e h THR 19 CO -0.61 0.07 -0.24 0.58 0.37 0.00 0.00 175.52 175.69 1l6e h VAL 20 N 0.40 0.62 0.00 3.16 2.07 0.12 -2.85 116.25 119.77 1l6e h VAL 20 Ca 0.54 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1l6e h VAL 20 Cb 1.38 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1l6e h VAL 20 CO -0.24 0.23 -0.31 -0.62 0.02 0.00 0.00 177.57 176.66 1l6e n GLU 21 N -3.46 0.26 -0.22 1.57 1.02 0.22 -2.83 120.64 117.20 1l6e n GLU 21 Ca -0.00 0.39 0.31 0.00 -0.02 0.00 0.00 57.16 57.83 1l6e n GLU 21 Cb 0.41 -1.27 0.65 0.00 -0.02 0.00 0.00 31.44 31.22 1l6e n GLU 21 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1l6e h VAL 22 N -0.57 0.20 0.13 2.62 2.07 -1.17 0.15 116.25 119.68 1l6e h VAL 22 Ca 0.00 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.18 1l6e h VAL 22 Cb 0.31 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1l6e h VAL 22 CO 0.00 0.00 -1.81 -0.07 0.02 0.00 0.00 177.57 175.71 1l6e h LEU 23 N 0.00 0.44 0.00 2.57 4.07 -1.67 0.21 115.31 120.93 1l6e h LEU 23 Ca 0.48 -0.91 0.00 0.00 0.08 0.00 0.00 57.88 57.54 1l6e h LEU 23 Cb 2.36 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 43.96 1l6e h LEU 23 CO -0.01 1.79 0.00 -1.14 -1.08 0.00 0.00 178.44 178.00 1l6e n ARG 24 N -3.64 0.57 -0.53 1.13 3.00 0.44 -3.37 116.66 114.26 1l6e n ARG 24 Ca -0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.55 1l6e n ARG 24 Cb 1.01 -1.43 -0.00 0.00 0.00 0.00 0.00 32.46 32.03 1l6e n ARG 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1l6e n GLN 25 N -0.93 0.00 -0.02 -0.14 10.64 -0.70 -5.05 117.38 121.18 1l6e n GLN 25 Ca 0.12 -0.10 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 1l6e n GLN 25 Cb 0.05 0.01 0.00 0.00 -0.86 0.00 0.00 30.24 29.44 1l6e n GLN 25 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1l6e n GLN 26 N 0.00 0.00 -1.20 2.61 6.02 0.75 -4.75 117.38 120.80 1l6e n GLN 26 Ca -0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.67 1l6e n GLN 26 Cb 0.52 0.00 0.10 0.00 1.02 0.00 0.00 30.24 31.88 1l6e n GLN 26 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1l6e s PRO 27 N 0.00 2.04 0.00 -1.09 0.04 -1.25 -4.90 135.00 129.83 1l6e s PRO 27 Ca 0.00 1.17 0.14 0.00 0.04 0.00 0.00 61.00 62.35 1l6e s PRO 27 Cb 0.00 -1.87 0.64 0.00 0.04 0.00 0.00 34.50 33.31 1l6e s PRO 27 CO 0.00 -1.80 1.42 -0.35 0.04 0.00 0.00 177.00 176.31 1l6e n PRO 28 N -3.63 0.08 -3.64 0.56 -0.04 -1.26 -4.73 135.00 122.34 1l6e n PRO 28 Ca 0.09 0.22 -0.09 0.00 -0.04 0.00 0.00 63.50 63.68 1l6e n PRO 28 Cb 0.53 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 1l6e n PRO 28 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1l6e s ASP 29 N -2.84 -0.44 -0.08 3.54 1.01 -1.26 -5.09 116.67 111.51 1l6e s ASP 29 Ca 0.09 0.85 -0.02 0.00 0.71 0.00 0.00 52.55 54.18 1l6e s ASP 29 Cb 0.09 0.87 -0.01 0.00 1.01 0.00 0.00 42.92 44.89 1l6e s ASP 29 CO 0.24 -0.15 -0.03 0.25 0.21 0.00 0.00 175.17 175.69 1l6e h LEU 30 N 4.25 0.00 -0.45 1.23 5.85 -1.97 -2.74 115.31 121.48 1l6e h LEU 30 Ca -0.28 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1l6e h LEU 30 Cb 1.18 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 1l6e h LEU 30 CO 0.11 0.41 -0.26 0.52 -0.34 0.00 0.00 178.44 178.87 1l6e n VAL 31 N -3.97 -0.30 -0.32 1.05 0.31 -1.26 0.20 118.33 114.05 1l6e n VAL 31 Ca -0.01 1.49 -0.02 0.00 -0.01 0.00 0.00 64.34 65.79 1l6e n VAL 31 Cb 0.05 -1.88 0.11 0.00 -0.91 0.00 0.00 33.84 31.21 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 0.93 -0.19 4.52 1.82 -2.00 -1.23 116.42 120.27 1l6e h ASP 32 Ca 0.07 -0.01 -0.06 0.00 -0.39 0.00 0.00 57.03 56.64 1l6e h ASP 32 Cb 0.18 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.96 1l6e h ASP 32 CO -0.42 0.65 -0.06 0.15 -1.61 0.00 0.00 179.24 177.95 1l6e h PHE 33 N 1.09 0.54 -0.48 0.28 3.57 0.15 -0.63 116.94 121.47 1l6e h PHE 33 Ca 0.34 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.65 1l6e h PHE 33 Cb -0.01 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1l6e h PHE 33 CO -0.02 0.57 -0.19 0.00 -2.23 0.00 0.00 178.31 176.44 1l6e h ALA 34 N 1.46 0.75 -0.23 2.41 0.00 0.34 0.00 119.26 123.99 1l6e h ALA 34 Ca 0.10 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 1l6e h ALA 34 Cb 0.41 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1l6e h ALA 34 CO 0.02 0.67 -0.41 0.28 0.00 0.00 0.00 179.25 179.81 1l6e h VAL 35 N 0.83 1.31 0.27 0.00 2.07 -0.86 -2.01 116.25 117.86 1l6e h VAL 35 Ca 0.11 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 1l6e h VAL 35 Cb 0.76 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1l6e h VAL 35 CO 0.06 0.51 -0.13 -0.33 0.02 0.00 0.00 177.57 177.70 1l6e h GLU 36 N 0.40 -0.35 -0.23 1.57 4.39 -1.06 0.28 114.58 119.59 1l6e h GLU 36 Ca 0.01 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.78 1l6e h GLU 36 Cb 1.01 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.70 1l6e h GLU 36 CO 0.09 -0.00 -0.03 -0.92 -1.16 0.00 0.00 179.01 176.99 1l6e h TYR 37 N -0.82 -0.07 0.06 4.33 3.20 -1.09 -2.01 116.97 120.57 1l6e h TYR 37 Ca -0.04 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1l6e h TYR 37 Cb 0.51 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1l6e h TYR 37 CO 0.04 -0.07 -0.03 0.74 -1.64 0.00 0.00 178.16 177.20 1l6e h PHE 38 N 0.03 -0.08 -1.15 -3.82 0.04 -1.43 -1.63 116.94 108.91 1l6e h PHE 38 Ca 0.11 -0.00 0.35 0.00 2.80 0.00 0.00 57.97 61.23 1l6e h PHE 38 Cb 0.15 0.03 -0.12 0.00 2.20 0.00 0.00 35.95 38.21 1l6e h PHE 38 CO -0.21 0.40 0.73 1.15 -0.60 0.00 0.00 178.31 179.78 1l6e h THR 39 N -0.60 0.30 0.20 -1.55 2.02 -0.33 0.39 112.91 113.33 1l6e h THR 39 Ca -0.01 -0.08 -0.31 0.00 0.77 0.00 0.00 66.41 66.78 1l6e h THR 39 Cb 0.52 0.04 0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1l6e h THR 39 CO 0.01 0.04 -1.38 0.03 0.37 0.00 0.00 175.52 174.60 1l6e h ARG 40 N 0.24 0.46 -1.20 6.66 3.08 -1.27 -3.26 114.38 119.09 1l6e h ARG 40 Ca 0.72 -0.77 0.34 0.00 0.07 0.00 0.00 59.98 60.35 1l6e h ARG 40 Cb 2.02 0.28 -0.08 0.00 0.08 0.00 0.00 29.97 32.27 1l6e h ARG 40 CO -0.42 1.36 0.82 1.25 -1.07 0.00 0.00 179.97 181.92 1l6e h LEU 41 N 0.14 0.20 -1.73 3.04 5.85 0.78 0.84 115.31 124.43 1l6e h LEU 41 Ca -0.21 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1l6e h LEU 41 Cb 2.08 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 43.12 1l6e h LEU 41 CO 0.25 0.00 0.19 0.03 -0.34 0.00 0.00 178.44 178.57 1l6e h ARG 42 N 0.16 0.36 -0.60 1.25 -0.00 -1.55 -1.25 114.38 112.75 1l6e h ARG 42 Ca 0.64 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 60.10 1l6e h ARG 42 Cb 2.13 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 32.02 1l6e h ARG 42 CO -0.18 0.24 0.00 0.39 0.00 0.00 0.00 179.97 180.42 1l6e n GLU 43 N -4.49 2.75 -0.04 0.04 4.71 0.28 -4.71 120.64 119.18 1l6e n GLU 43 Ca 0.01 -2.46 -0.01 0.00 -0.01 0.00 0.00 57.16 54.69 1l6e n GLU 43 Cb 0.08 -1.48 -0.01 0.00 -1.01 0.00 0.00 31.44 29.03 1l6e n GLU 43 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1l6e n ALA 44 N 1.31 -0.06 -0.29 0.62 0.00 -0.47 0.42 120.51 122.03 1l6e n ALA 44 Ca 0.20 0.08 0.25 0.00 0.00 0.00 0.00 53.44 53.97 1l6e n ALA 44 Cb 0.56 0.42 0.43 0.00 0.00 0.00 0.00 19.45 20.86 1l6e n ALA 44 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1l6e n ARG 45 N -3.17 -0.03 0.00 0.00 3.00 -1.26 -5.09 116.66 110.11 1l6e n ARG 45 Ca 0.00 0.83 0.00 0.00 -0.00 0.00 0.00 57.85 58.68 1l6e n ARG 45 Cb 0.02 -1.61 0.00 0.00 0.00 0.00 0.00 32.46 30.87 1l6e n ARG 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50