#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 2.51 0.00 -0.41 -0.00 -1.26 -5.03 117.12 112.93 1l6e n MET 2 Ca 0.00 -3.12 0.00 0.00 -0.00 0.00 0.00 57.70 54.58 1l6e n MET 2 Cb 0.00 -2.22 0.00 0.00 -0.00 0.00 0.00 33.22 31.00 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 -0.94 -1.75 0.00 3.17 0.00 -1.26 -5.02 105.19 99.39 1l6e n GLY 3 Ca 0.60 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1l6e n GLY 3 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1l6e n HIS 4 N 0.00 0.00 -3.94 1.61 -0.00 -1.26 -5.12 115.22 106.51 1l6e n HIS 4 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.42 1l6e n HIS 4 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 29.85 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 -1.33 2.20 0.03 0.61 -1.09 -1.26 -5.08 121.20 115.27 1l6e s ILE 5 Ca 0.00 -2.66 -0.05 0.00 -2.23 0.00 0.00 60.65 55.71 1l6e s ILE 5 Cb 0.00 -2.58 -0.01 0.00 -1.58 0.00 0.00 42.46 38.29 1l6e s ILE 5 CO 0.00 -0.71 0.08 -1.10 -1.23 0.00 0.00 174.94 171.99 1l6e s GLN 6 N 0.46 0.54 -0.91 2.79 -1.52 -1.26 -5.09 119.66 114.66 1l6e s GLN 6 Ca 0.14 -0.69 -0.04 0.00 -1.95 0.00 0.00 55.36 52.82 1l6e s GLN 6 Cb -0.22 0.21 0.23 0.00 -0.22 0.00 0.00 33.01 33.01 1l6e s GLN 6 CO -0.06 -0.13 0.82 0.42 -0.25 0.00 0.00 175.29 176.09 1l6e s ILE 7 N -2.32 4.67 0.13 1.08 -1.09 -1.26 -5.05 121.20 117.36 1l6e s ILE 7 Ca -0.07 -3.67 -0.31 0.00 -2.23 0.00 0.00 60.65 54.37 1l6e s ILE 7 Cb -0.03 -3.88 -0.08 0.00 -1.58 0.00 0.00 42.46 36.89 1l6e s ILE 7 CO -0.03 -1.09 1.32 -2.16 -1.23 0.00 0.00 174.94 171.75 1l6e s PRO 8 N -1.19 4.37 0.88 2.79 0.04 -1.26 -5.01 135.00 135.62 1l6e s PRO 8 Ca 0.27 2.00 -0.12 0.00 0.04 0.00 0.00 61.00 63.19 1l6e s PRO 8 Cb -0.09 -3.25 0.12 0.00 0.04 0.00 0.00 34.50 31.32 1l6e s PRO 8 CO -0.11 -0.33 1.10 -1.25 0.04 0.00 0.00 177.00 176.45 1l6e s PRO 9 N 0.69 1.41 0.00 0.56 0.04 -1.26 -4.52 135.00 131.92 1l6e s PRO 9 Ca 0.61 0.59 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1l6e s PRO 9 Cb -0.35 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1l6e s PRO 9 CO 0.33 -2.08 0.00 0.41 0.04 0.00 0.00 177.00 175.70 1l6e n GLY 10 N -1.72 1.43 0.05 0.56 0.00 -1.26 -4.99 105.19 99.27 1l6e n GLY 10 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.00 0.99 6.46 -1.98 -3.18 115.31 117.60 1l6e h LEU 11 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1l6e h LEU 11 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1l6e h LEU 11 CO 0.00 0.52 0.00 0.41 -0.62 0.00 0.00 178.44 178.75 1l6e n THR 12 N -4.65 0.00 -0.34 1.05 -1.04 -1.26 0.13 114.28 108.16 1l6e n THR 12 Ca -0.01 0.96 0.08 0.00 -2.04 0.00 0.00 64.05 63.05 1l6e n THR 12 Cb 0.04 -1.46 0.18 0.00 -1.82 0.00 0.00 70.33 67.27 1l6e n THR 12 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1l6e n GLU 13 N -0.94 -0.08 -0.34 -2.82 4.71 -1.26 0.13 120.64 120.03 1l6e n GLU 13 Ca 0.00 1.49 -0.01 0.00 -0.01 0.00 0.00 57.16 58.63 1l6e n GLU 13 Cb 0.00 -2.27 0.11 0.00 -1.01 0.00 0.00 31.44 28.27 1l6e n GLU 13 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1l6e h LEU 14 N 0.00 1.02 0.30 -4.62 5.85 -1.05 -2.32 115.31 114.48 1l6e h LEU 14 Ca 0.50 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.19 1l6e h LEU 14 Cb 0.86 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1l6e h LEU 14 CO -0.97 0.71 -0.14 -0.07 -0.34 0.00 0.00 178.44 177.63 1l6e h LEU 15 N 1.19 -0.34 -0.99 2.25 3.38 0.93 -2.90 115.31 118.83 1l6e h LEU 15 Ca 0.36 0.01 0.30 0.00 0.09 0.00 0.00 57.88 58.64 1l6e h LEU 15 Cb -0.04 0.09 -0.18 0.00 0.09 0.00 0.00 40.66 40.61 1l6e h LEU 15 CO -0.11 -0.18 0.12 0.00 0.09 0.00 0.00 178.44 178.36 1l6e n GLN 16 N -3.39 -0.07 -0.15 1.13 6.02 -0.57 0.11 117.38 120.46 1l6e n GLN 16 Ca -0.05 1.46 -0.03 0.00 -0.01 0.00 0.00 57.00 58.37 1l6e n GLN 16 Cb 0.16 -2.37 0.05 0.00 1.02 0.00 0.00 30.24 29.10 1l6e n GLN 16 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1l6e h GLY 17 N 0.00 0.55 0.44 1.08 0.00 -1.37 0.70 103.07 104.47 1l6e h GLY 17 Ca 0.65 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.94 1l6e h GLY 17 CO -0.90 -0.06 -0.15 -1.82 0.00 0.00 0.00 176.54 173.61 1l6e h TYR 18 N 0.22 -0.40 -0.62 5.60 3.20 0.10 -2.78 116.97 122.29 1l6e h TYR 18 Ca 0.23 -0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.27 1l6e h TYR 18 Cb 0.30 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1l6e h TYR 18 CO -0.22 -0.10 0.58 1.15 -1.64 0.00 0.00 178.16 177.93 1l6e h THR 19 N -1.00 0.39 -0.02 1.81 2.02 -0.62 0.63 112.91 116.12 1l6e h THR 19 Ca -0.04 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.99 1l6e h THR 19 Cb 0.48 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1l6e h THR 19 CO 0.07 0.00 -0.68 0.58 0.37 0.00 0.00 175.52 175.86 1l6e h VAL 20 N 0.00 1.46 -0.02 3.16 2.07 0.56 -2.62 116.25 120.86 1l6e h VAL 20 Ca 0.30 -2.26 -0.18 0.00 0.82 0.00 0.00 66.70 65.38 1l6e h VAL 20 Cb 1.46 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 33.43 1l6e h VAL 20 CO -0.00 0.65 -0.78 -0.33 0.02 0.00 0.00 177.57 177.13 1l6e h GLU 21 N 0.06 0.23 -0.25 1.57 5.08 0.54 -1.77 114.58 120.05 1l6e h GLU 21 Ca -0.01 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 57.99 1l6e h GLU 21 Cb 1.21 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1l6e h GLU 21 CO 0.10 0.90 -0.41 0.28 -1.00 0.00 0.00 179.01 178.88 1l6e h VAL 22 N 0.14 1.31 -0.00 3.13 2.07 -1.36 0.22 116.25 121.75 1l6e h VAL 22 Ca -0.03 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1l6e h VAL 22 Cb 1.37 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1l6e h VAL 22 CO 0.12 0.51 -0.03 0.18 0.02 0.00 0.00 177.57 178.37 1l6e n LEU 23 N -4.19 0.05 -0.11 2.57 4.32 -0.99 0.83 117.00 119.48 1l6e n LEU 23 Ca -0.05 0.37 -0.14 0.00 -0.02 0.00 0.00 56.01 56.17 1l6e n LEU 23 Cb 0.54 -0.39 -0.14 0.00 -1.62 0.00 0.00 43.42 41.81 1l6e n LEU 23 CO 0.47 0.01 -1.24 -1.14 -1.22 0.00 0.00 177.39 174.27 1l6e n ARG 24 N -1.39 0.70 -0.00 3.23 3.00 -0.67 -4.61 116.66 116.92 1l6e n ARG 24 Ca 0.10 0.07 0.03 0.00 -0.00 0.00 0.00 57.85 58.05 1l6e n ARG 24 Cb 0.30 -1.51 -0.04 0.00 0.00 0.00 0.00 32.46 31.21 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 -2.99 2.15 -3.47 -0.14 10.64 0.74 -5.05 117.38 119.27 1l6e n GLN 25 Ca -0.39 -0.03 -0.34 0.00 -1.83 0.00 0.00 57.00 54.41 1l6e n GLN 25 Cb 1.06 -1.01 0.03 0.00 -0.86 0.00 0.00 30.24 29.47 1l6e n GLN 25 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 1l6e n GLN 26 N -1.49 -1.93 -1.11 2.61 0.00 0.24 -4.91 117.38 110.80 1l6e n GLN 26 Ca -0.00 1.43 -0.29 0.00 -0.00 0.00 0.00 57.00 58.14 1l6e n GLN 26 Cb 0.14 -2.49 0.19 0.00 0.00 0.00 0.00 30.24 28.08 1l6e n GLN 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1l6e s PRO 27 N -2.74 0.02 0.50 3.69 0.04 -1.26 -4.92 135.00 130.33 1l6e s PRO 27 Ca 0.33 0.43 0.28 0.00 0.04 0.00 0.00 61.00 62.08 1l6e s PRO 27 Cb -0.04 -1.70 1.21 0.00 0.04 0.00 0.00 34.50 34.02 1l6e s PRO 27 CO 0.87 -2.99 1.94 -1.00 0.04 0.00 0.00 177.00 175.86 1l6e h PRO 28 N -2.07 0.00 -2.68 0.56 0.13 -2.00 -3.42 132.00 122.51 1l6e h PRO 28 Ca -0.54 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.45 1l6e h PRO 28 Cb 1.33 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.18 1l6e h PRO 28 CO 0.54 0.13 -0.39 -0.51 -0.23 0.00 0.00 178.00 177.55 1l6e s ASP 29 N -6.00 -0.23 -0.05 1.44 1.01 -1.26 -5.08 116.67 106.50 1l6e s ASP 29 Ca -0.00 0.83 -0.01 0.00 0.71 0.00 0.00 52.55 54.08 1l6e s ASP 29 Cb 0.11 0.91 -0.00 0.00 1.01 0.00 0.00 42.92 44.95 1l6e s ASP 29 CO 0.59 -0.21 -0.02 0.25 0.21 0.00 0.00 175.17 175.99 1l6e h LEU 30 N 7.71 0.00 -0.57 1.23 7.12 -1.97 -2.53 115.31 126.30 1l6e h LEU 30 Ca -0.26 0.00 0.05 0.00 0.13 0.00 0.00 57.88 57.80 1l6e h LEU 30 Cb 1.14 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 41.20 1l6e h LEU 30 CO 0.21 0.25 -0.34 0.52 -0.13 0.00 0.00 178.44 178.95 1l6e n VAL 31 N -3.25 -0.39 -0.19 1.05 0.31 -1.26 0.21 118.33 114.80 1l6e n VAL 31 Ca -0.01 1.43 -0.08 0.00 -0.01 0.00 0.00 64.34 65.67 1l6e n VAL 31 Cb 0.03 -1.77 0.02 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 0.74 -0.42 4.52 1.82 -2.00 -1.65 116.42 119.43 1l6e h ASP 32 Ca 0.09 -0.16 -0.03 0.00 -0.39 0.00 0.00 57.03 56.54 1l6e h ASP 32 Cb 0.23 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.04 1l6e h ASP 32 CO -0.54 0.69 0.16 0.15 -1.61 0.00 0.00 179.24 178.09 1l6e h PHE 33 N 0.73 0.65 0.00 0.28 3.57 0.21 0.23 116.94 122.61 1l6e h PHE 33 Ca 0.18 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1l6e h PHE 33 Cb 0.18 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1l6e h PHE 33 CO 0.00 0.58 -0.08 0.00 -2.23 0.00 0.00 178.31 176.59 1l6e h ALA 34 N 1.00 1.77 0.04 2.41 0.00 0.26 -2.44 119.26 122.30 1l6e h ALA 34 Ca 0.14 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1l6e h ALA 34 Cb 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1l6e h ALA 34 CO -0.01 0.10 -0.68 0.28 0.00 0.00 0.00 179.25 178.94 1l6e h VAL 35 N 0.00 1.40 -0.90 0.00 2.07 -0.65 -3.10 116.25 115.08 1l6e h VAL 35 Ca -0.00 -2.35 0.22 0.00 0.82 0.00 0.00 66.70 65.39 1l6e h VAL 35 Cb 0.15 2.96 -0.06 0.00 -1.52 0.00 0.00 31.29 32.82 1l6e h VAL 35 CO 0.01 0.57 0.61 -0.33 0.02 0.00 0.00 177.57 178.45 1l6e h GLU 36 N -0.78 0.30 0.23 1.57 5.08 -0.40 0.74 114.58 121.32 1l6e h GLU 36 Ca -0.16 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1l6e h GLU 36 Cb 1.31 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1l6e h GLU 36 CO -0.02 0.20 -0.11 -0.92 -1.00 0.00 0.00 179.01 177.16 1l6e h TYR 37 N 0.31 -0.28 0.05 4.33 3.20 -1.54 -2.53 116.97 120.51 1l6e h TYR 37 Ca 0.47 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.33 1l6e h TYR 37 Cb 1.30 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 1l6e h TYR 37 CO -0.00 -0.18 -0.07 0.74 -1.64 0.00 0.00 178.16 177.01 1l6e h PHE 38 N -0.70 -0.18 -0.83 -3.82 0.04 -1.39 0.24 116.94 110.30 1l6e h PHE 38 Ca -0.03 0.00 0.19 0.00 2.80 0.00 0.00 57.97 60.93 1l6e h PHE 38 Cb 0.24 0.07 -0.12 0.00 2.20 0.00 0.00 35.95 38.34 1l6e h PHE 38 CO 0.03 -0.11 0.31 1.15 -0.60 0.00 0.00 178.31 179.09 1l6e h THR 39 N -0.15 0.50 0.00 -1.55 2.02 0.35 0.57 112.91 114.65 1l6e h THR 39 Ca 0.01 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 1l6e h THR 39 Cb 0.15 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 1l6e h THR 39 CO -0.03 0.07 -0.39 0.03 0.37 0.00 0.00 175.52 175.57 1l6e h ARG 40 N 0.36 0.00 -0.96 6.66 3.08 -0.96 -3.21 114.38 119.36 1l6e h ARG 40 Ca 0.50 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.69 1l6e h ARG 40 Cb 0.90 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.86 1l6e h ARG 40 CO -0.52 0.39 0.58 1.25 -1.07 0.00 0.00 179.97 180.60 1l6e h LEU 41 N 0.00 0.80 -1.78 3.04 7.12 0.36 0.19 115.31 125.03 1l6e h LEU 41 Ca -0.00 0.07 0.13 0.00 0.13 0.00 0.00 57.88 58.21 1l6e h LEU 41 Cb 1.12 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 41.15 1l6e h LEU 41 CO 0.05 0.38 0.58 0.03 -0.13 0.00 0.00 178.44 179.34 1l6e h ARG 42 N 0.85 0.00 0.00 1.25 3.08 -1.52 0.53 114.38 118.57 1l6e h ARG 42 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.55 1l6e h ARG 42 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1l6e h ARG 42 CO -0.31 0.00 -1.80 -0.85 -1.07 0.00 0.00 179.97 175.93 1l6e n GLU 43 N -3.50 0.59 0.06 0.04 0.28 0.61 -4.58 120.64 114.14 1l6e n GLU 43 Ca 0.09 -0.15 -0.02 0.00 -0.16 0.00 0.00 57.16 56.91 1l6e n GLU 43 Cb 0.76 -1.55 -0.01 0.00 1.43 0.00 0.00 31.44 32.07 1l6e n GLU 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1l6e h ALA 44 N 2.10 -0.83 0.00 -1.84 0.00 0.63 -3.45 119.26 115.87 1l6e h ALA 44 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1l6e h ALA 44 Cb 0.95 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1l6e h ALA 44 CO 0.00 -0.82 0.00 0.54 0.00 0.00 0.00 179.25 178.97 1l6e n ARG 45 N -2.52 0.00 0.00 0.00 5.12 -1.14 -5.11 116.66 113.01 1l6e n ARG 45 Ca -0.02 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 55.97 1l6e n ARG 45 Cb 0.06 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.42 1l6e n ARG 45 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59