#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 -2.23 -0.41 0.00 -1.26 -4.86 117.12 108.37 1l6e n MET 2 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.34 1l6e n MET 2 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 33.22 33.22 1l6e n MET 2 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1l6e s GLY 3 N 0.00 2.72 0.00 3.03 0.00 -1.26 -4.95 107.32 106.86 1l6e s GLY 3 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 44.72 45.63 1l6e s GLY 3 CO 0.00 1.32 0.00 1.42 0.00 0.00 0.00 173.10 175.84 1l6e n HIS 4 N -0.93 0.00 -4.04 1.90 -0.00 -1.26 -5.13 115.22 105.77 1l6e n HIS 4 Ca 0.10 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.60 1l6e n HIS 4 Cb 0.49 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 30.31 1l6e n HIS 4 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 1l6e s ILE 5 N 0.00 0.57 -0.27 1.59 1.10 -1.26 -5.11 121.20 117.83 1l6e s ILE 5 Ca 0.00 -0.09 -0.03 0.00 -0.51 0.00 0.00 60.65 60.02 1l6e s ILE 5 Cb 0.00 -0.63 0.09 0.00 0.15 0.00 0.00 42.46 42.07 1l6e s ILE 5 CO 0.00 0.26 0.10 0.00 -2.11 0.00 0.00 174.94 173.19 1l6e s GLN 6 N 1.31 0.37 -0.11 3.50 -2.07 -1.26 -5.12 119.66 116.29 1l6e s GLN 6 Ca -0.05 -0.61 0.01 0.00 -1.82 0.00 0.00 55.36 52.90 1l6e s GLN 6 Cb -0.14 -1.58 -0.02 0.00 -1.09 0.00 0.00 33.01 30.19 1l6e s GLN 6 CO -0.02 -0.92 -0.14 0.96 -1.32 0.00 0.00 175.29 173.84 1l6e s ILE 7 N 1.95 2.97 0.31 3.63 -5.25 -1.26 -5.09 121.20 118.45 1l6e s ILE 7 Ca 0.07 -0.71 -0.29 0.00 -0.99 0.00 0.00 60.65 58.73 1l6e s ILE 7 Cb -0.16 -2.22 -0.10 0.00 2.95 0.00 0.00 42.46 42.93 1l6e s ILE 7 CO -0.27 0.54 1.23 -2.16 -1.79 0.00 0.00 174.94 172.49 1l6e s PRO 8 N 0.09 4.46 0.29 0.37 0.04 -1.26 -4.99 135.00 134.00 1l6e s PRO 8 Ca -0.06 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 1l6e s PRO 8 Cb -0.15 -3.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.18 1l6e s PRO 8 CO 0.05 -0.04 1.15 -1.25 0.04 0.00 0.00 177.00 176.95 1l6e s PRO 9 N -1.59 4.57 0.00 0.56 0.04 -1.26 -2.88 135.00 134.44 1l6e s PRO 9 Ca 0.48 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1l6e s PRO 9 Cb -0.37 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1l6e s PRO 9 CO 0.48 0.11 0.00 0.41 0.04 0.00 0.00 177.00 178.04 1l6e n GLY 10 N 1.14 3.12 0.42 0.56 0.00 -1.26 -4.88 105.19 104.29 1l6e n GLY 10 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.31 0.00 0.99 7.12 -1.93 0.18 115.31 120.37 1l6e h LEU 11 Ca 0.00 0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.14 1l6e h LEU 11 Cb 0.00 0.46 0.00 0.00 -0.53 0.00 0.00 40.66 40.59 1l6e h LEU 11 CO 0.00 -0.52 0.00 0.41 -0.13 0.00 0.00 178.44 178.20 1l6e n THR 12 N -5.06 0.00 -0.33 1.05 -1.04 -1.26 -1.23 114.28 106.41 1l6e n THR 12 Ca -0.08 1.33 0.13 0.00 -2.04 0.00 0.00 64.05 63.39 1l6e n THR 12 Cb 0.37 -2.21 0.27 0.00 -1.82 0.00 0.00 70.33 66.94 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 -1.68 -0.08 0.15 -2.82 2.13 -1.23 -1.25 120.64 115.87 1l6e n GLU 13 Ca 0.00 1.42 -0.07 0.00 0.66 0.00 0.00 57.16 59.17 1l6e n GLU 13 Cb 0.00 -2.24 -0.03 0.00 0.27 0.00 0.00 31.44 29.43 1l6e n GLU 13 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1l6e h LEU 14 N 0.00 -0.43 -0.60 4.31 5.85 -0.37 -2.54 115.31 121.53 1l6e h LEU 14 Ca 0.56 0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.41 1l6e h LEU 14 Cb 1.14 0.12 -0.11 0.00 0.37 0.00 0.00 40.66 42.18 1l6e h LEU 14 CO -0.89 -0.26 -0.36 -0.07 -0.34 0.00 0.00 178.44 176.51 1l6e h LEU 15 N -0.42 -1.23 -0.97 2.25 4.07 0.11 -0.26 115.31 118.85 1l6e h LEU 15 Ca -0.04 0.23 0.13 0.00 0.08 0.00 0.00 57.88 58.29 1l6e h LEU 15 Cb 0.34 0.60 -0.15 0.00 1.08 0.00 0.00 40.66 42.53 1l6e h LEU 15 CO 0.04 -0.31 -0.45 1.56 -1.08 0.00 0.00 178.44 178.20 1l6e h GLN 16 N -0.17 -0.02 -0.53 1.13 7.50 -1.10 0.31 115.11 122.23 1l6e h GLN 16 Ca 0.22 0.00 0.08 0.00 0.50 0.00 0.00 58.65 59.45 1l6e h GLN 16 Cb 0.56 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 27.99 1l6e h GLN 16 CO -0.69 -0.01 -0.45 0.78 -1.50 0.00 0.00 178.83 176.96 1l6e h GLY 17 N -0.02 -0.56 -0.53 3.46 0.00 -0.61 -1.17 103.07 103.64 1l6e h GLY 17 Ca 0.29 0.58 0.05 0.00 0.00 0.00 0.00 47.33 48.25 1l6e h GLY 17 CO -0.96 -0.16 -0.31 2.98 0.00 0.00 0.00 176.54 178.09 1l6e n TYR 18 N -5.40 -0.23 -0.19 5.60 9.36 0.11 0.26 117.16 126.65 1l6e n TYR 18 Ca 0.01 0.67 0.21 0.00 3.32 0.00 0.00 57.90 62.10 1l6e n TYR 18 Cb 0.35 -0.52 0.58 0.00 -0.63 0.00 0.00 39.34 39.12 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 0.66 0.00 2.97 2.02 -1.08 0.71 112.91 118.20 1l6e h THR 19 Ca 0.09 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1l6e h THR 19 Cb 0.22 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1l6e h THR 19 CO -0.50 0.05 -0.27 0.58 0.37 0.00 0.00 175.52 175.75 1l6e h VAL 20 N 0.26 0.53 0.00 3.16 2.07 0.46 -2.91 116.25 119.82 1l6e h VAL 20 Ca 0.42 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1l6e h VAL 20 Cb 1.25 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1l6e h VAL 20 CO -0.11 0.26 -0.61 -0.62 0.02 0.00 0.00 177.57 176.51 1l6e n GLU 21 N -3.27 0.42 -0.35 1.57 1.02 0.21 -2.65 120.64 117.59 1l6e n GLU 21 Ca 0.01 0.37 0.31 0.00 -0.02 0.00 0.00 57.16 57.84 1l6e n GLU 21 Cb 0.54 -1.47 0.65 0.00 -0.02 0.00 0.00 31.44 31.14 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 -0.88 0.41 0.18 2.62 2.07 -0.55 0.39 116.25 120.50 1l6e h VAL 22 Ca 0.00 -0.06 -0.35 0.00 0.82 0.00 0.00 66.70 67.11 1l6e h VAL 22 Cb 0.61 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1l6e h VAL 22 CO 0.00 0.03 -1.80 -0.07 0.02 0.00 0.00 177.57 175.75 1l6e h LEU 23 N 0.16 0.58 -1.14 2.57 3.38 -1.68 0.28 115.31 119.47 1l6e h LEU 23 Ca 0.61 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1l6e h LEU 23 Cb 2.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1l6e h LEU 23 CO -0.16 1.81 0.00 -1.14 0.09 0.00 0.00 178.44 179.03 1l6e n ARG 24 N -3.58 1.73 -0.41 1.13 0.63 -0.01 -3.94 116.66 112.21 1l6e n ARG 24 Ca -0.26 -0.81 -0.00 0.00 -0.92 0.00 0.00 57.85 55.85 1l6e n ARG 24 Cb 1.07 -1.38 -0.00 0.00 0.45 0.00 0.00 32.46 32.60 1l6e n ARG 24 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1l6e n GLN 25 N 0.14 0.00 0.00 -0.14 10.64 0.12 -4.97 117.38 123.17 1l6e n GLN 25 Ca 0.07 -0.05 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 1l6e n GLN 25 Cb 0.31 0.03 0.00 0.00 -0.86 0.00 0.00 30.24 29.72 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 -1.08 2.61 6.02 0.09 -4.77 117.38 120.24 1l6e n GLN 26 Ca -0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.69 1l6e n GLN 26 Cb 0.39 0.00 0.19 0.00 1.02 0.00 0.00 30.24 31.84 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 0.10 0.27 -1.09 0.04 -1.26 -4.95 135.00 128.11 1l6e s PRO 27 Ca 0.00 0.50 0.04 0.00 0.04 0.00 0.00 61.00 61.58 1l6e s PRO 27 Cb 0.00 -1.70 0.38 0.00 0.04 0.00 0.00 34.50 33.22 1l6e s PRO 27 CO 0.00 -2.95 1.67 -1.00 0.04 0.00 0.00 177.00 174.76 1l6e h PRO 28 N -2.05 0.35 -3.78 0.56 0.13 -2.00 -3.45 132.00 121.76 1l6e h PRO 28 Ca -0.56 -0.17 -0.16 0.00 -0.87 0.00 0.00 66.00 64.25 1l6e h PRO 28 Cb 1.33 -0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.26 1l6e h PRO 28 CO 0.56 0.70 -0.60 -0.51 -0.23 0.00 0.00 178.00 177.92 1l6e s ASP 29 N -6.86 0.15 0.00 1.44 1.01 -1.26 -5.10 116.67 106.05 1l6e s ASP 29 Ca -0.05 -0.39 0.00 0.00 0.71 0.00 0.00 52.55 52.82 1l6e s ASP 29 Cb 0.13 0.15 0.00 0.00 1.01 0.00 0.00 42.92 44.21 1l6e s ASP 29 CO 0.79 -0.34 0.00 -0.11 0.21 0.00 0.00 175.17 175.71 1l6e n LEU 30 N 1.47 0.06 -0.14 1.23 -0.00 -1.26 -3.13 117.00 115.22 1l6e n LEU 30 Ca -0.23 0.23 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 1l6e n LEU 30 Cb 0.55 -0.48 -0.03 0.00 -0.00 0.00 0.00 43.42 43.46 1l6e n LEU 30 CO 0.21 -0.48 0.37 0.52 -0.00 0.00 0.00 177.39 178.00 1l6e n VAL 31 N -2.22 -0.23 -0.31 1.96 0.31 -1.26 0.22 118.33 116.80 1l6e n VAL 31 Ca 0.00 1.44 0.11 0.00 -0.01 0.00 0.00 64.34 65.88 1l6e n VAL 31 Cb 0.00 -1.84 0.34 0.00 -0.91 0.00 0.00 33.84 31.43 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 -0.63 4.52 3.58 -2.00 0.42 116.42 123.05 1l6e h ASP 32 Ca 0.06 0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.50 1l6e h ASP 32 Cb 0.14 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 1l6e h ASP 32 CO -0.32 0.36 0.18 0.15 -2.88 0.00 0.00 179.24 176.72 1l6e h PHE 33 N 0.77 1.05 0.00 0.28 3.57 0.26 0.15 116.94 123.03 1l6e h PHE 33 Ca 0.48 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.85 1l6e h PHE 33 Cb 0.71 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 1l6e h PHE 33 CO -0.00 0.85 -0.11 0.00 -2.23 0.00 0.00 178.31 176.82 1l6e h ALA 34 N 1.21 1.21 0.00 2.41 0.00 0.21 -1.59 119.26 122.71 1l6e h ALA 34 Ca 0.21 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.81 1l6e h ALA 34 Cb 0.32 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1l6e h ALA 34 CO -0.00 0.13 -1.19 0.28 0.00 0.00 0.00 179.25 178.47 1l6e h VAL 35 N 0.00 0.87 -0.64 0.00 2.07 -0.79 -3.04 116.25 114.72 1l6e h VAL 35 Ca -0.00 -2.11 0.07 0.00 0.82 0.00 0.00 66.70 65.48 1l6e h VAL 35 Cb 0.36 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 1l6e h VAL 35 CO 0.01 0.29 0.43 -0.08 0.02 0.00 0.00 177.57 178.24 1l6e h GLU 36 N -1.00 0.59 0.27 1.57 4.81 -0.72 1.14 114.58 121.25 1l6e h GLU 36 Ca -0.32 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 1l6e h GLU 36 Cb 1.25 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1l6e h GLU 36 CO -0.19 0.39 -0.13 -0.92 -0.73 0.00 0.00 179.01 177.43 1l6e h TYR 37 N 0.61 -0.34 -0.55 0.92 3.20 -1.45 -2.98 116.97 116.38 1l6e h TYR 37 Ca 0.28 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 1l6e h TYR 37 Cb 0.32 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1l6e h TYR 37 CO -0.00 -0.11 0.08 0.74 -1.64 0.00 0.00 178.16 177.23 1l6e h PHE 38 N -1.05 0.98 -0.89 -3.82 0.04 -1.39 -2.19 116.94 108.61 1l6e h PHE 38 Ca -0.04 -0.14 0.15 0.00 2.80 0.00 0.00 57.97 60.74 1l6e h PHE 38 Cb 0.38 -0.27 -0.10 0.00 2.20 0.00 0.00 35.95 38.16 1l6e h PHE 38 CO 0.02 0.87 0.49 1.15 -0.60 0.00 0.00 178.31 180.24 1l6e h THR 39 N 0.81 0.75 -0.25 -1.55 2.02 0.12 -0.52 112.91 114.28 1l6e h THR 39 Ca 0.17 -0.24 -0.19 0.00 0.77 0.00 0.00 66.41 66.92 1l6e h THR 39 Cb 0.42 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1l6e h THR 39 CO 0.01 0.13 -0.60 0.03 0.37 0.00 0.00 175.52 175.46 1l6e h ARG 40 N 0.69 0.83 -0.83 6.66 3.08 -1.34 -3.15 114.38 120.32 1l6e h ARG 40 Ca 0.49 -0.55 0.18 0.00 0.07 0.00 0.00 59.98 60.16 1l6e h ARG 40 Cb 0.68 0.08 -0.11 0.00 0.08 0.00 0.00 29.97 30.69 1l6e h ARG 40 CO -0.36 1.18 0.33 1.25 -1.07 0.00 0.00 179.97 181.31 1l6e h LEU 41 N 0.62 0.27 -1.97 3.04 7.12 -0.47 0.49 115.31 124.41 1l6e h LEU 41 Ca -0.00 0.14 0.21 0.00 0.13 0.00 0.00 57.88 58.36 1l6e h LEU 41 Cb 1.20 0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 41.43 1l6e h LEU 41 CO 0.13 0.04 0.58 0.03 -0.13 0.00 0.00 178.44 179.09 1l6e h ARG 42 N 0.40 0.00 0.00 1.25 2.47 -1.42 0.70 114.38 117.79 1l6e h ARG 42 Ca 0.49 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.21 1l6e h ARG 42 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.17 1l6e h ARG 42 CO -0.48 0.00 0.00 0.93 0.56 0.00 0.00 179.97 180.98 1l6e h GLU 43 N 0.00 0.00 0.01 0.04 5.08 -0.16 -3.34 114.58 116.21 1l6e h GLU 43 Ca 0.35 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1l6e h GLU 43 Cb 1.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1l6e h GLU 43 CO -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 178.00 1l6e h ALA 44 N 2.27 -0.90 -0.12 3.43 0.00 0.42 -3.36 119.26 121.00 1l6e h ALA 44 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1l6e h ALA 44 Cb 0.62 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1l6e h ALA 44 CO 0.00 -0.90 0.00 0.54 0.00 0.00 0.00 179.25 178.89 1l6e n ARG 45 N -2.05 0.00 0.00 0.00 5.12 -1.25 -5.17 116.66 113.32 1l6e n ARG 45 Ca -0.00 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.07 1l6e n ARG 45 Cb 0.01 -0.02 0.65 0.00 -1.16 0.00 0.00 32.46 31.93 1l6e n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57