#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 1.35 -1.46 1.57 2.00 -1.26 -5.09 117.12 114.23 1l6e n MET 2 Ca 0.00 -4.02 -0.49 0.00 0.00 0.00 0.00 57.70 53.19 1l6e n MET 2 Cb 0.00 -2.01 -0.04 0.00 0.00 0.00 0.00 33.22 31.17 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 2.01 -1.09 0.00 3.03 0.00 -1.26 -4.81 105.19 103.07 1l6e n GLY 3 Ca 0.24 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1l6e n GLY 3 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1l6e n HIS 4 N 0.44 0.00 -3.56 1.61 -0.00 -1.26 -5.14 115.22 107.31 1l6e n HIS 4 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.89 1l6e n HIS 4 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.22 1l6e n HIS 4 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 1l6e n ILE 5 N -1.48 0.00 -2.23 3.57 2.08 -1.26 -5.17 119.36 114.87 1l6e n ILE 5 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1l6e n ILE 5 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1l6e n ILE 5 CO 0.00 0.00 0.00 1.67 0.56 0.00 0.00 176.55 178.78 1l6e n GLN 6 N 0.00 2.30 -0.58 0.38 0.00 -1.26 -5.03 117.38 113.20 1l6e n GLN 6 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.00 57.03 1l6e n GLN 6 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 30.24 30.46 1l6e n GLN 6 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1l6e n ILE 7 N -0.33 2.37 -2.78 1.69 2.08 -1.26 -5.00 119.36 116.13 1l6e n ILE 7 Ca 0.00 -2.34 -0.42 0.00 0.56 0.00 0.00 62.75 60.55 1l6e n ILE 7 Cb 0.00 -0.28 -0.03 0.00 -0.75 0.00 0.00 39.64 38.57 1l6e n ILE 7 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1l6e s PRO 8 N -3.04 4.53 -0.21 0.38 0.04 -1.26 -5.01 135.00 130.43 1l6e s PRO 8 Ca 0.42 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 62.47 1l6e s PRO 8 Cb 0.37 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1l6e s PRO 8 CO 0.04 -0.04 1.14 -1.25 0.04 0.00 0.00 177.00 176.93 1l6e s PRO 9 N 1.01 4.22 0.00 0.56 0.04 -1.26 -3.01 135.00 136.56 1l6e s PRO 9 Ca 0.49 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1l6e s PRO 9 Cb -0.20 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.64 1l6e s PRO 9 CO 0.25 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1l6e n GLY 10 N 3.50 0.57 0.12 0.56 0.00 -1.26 -4.97 105.19 103.71 1l6e n GLY 10 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 0.34 -0.61 0.99 6.46 -1.96 -3.33 115.31 117.20 1l6e h LEU 11 Ca 0.00 -0.65 0.05 0.00 -0.12 0.00 0.00 57.88 57.17 1l6e h LEU 11 Cb 0.00 -0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 39.76 1l6e h LEU 11 CO 0.00 0.93 -0.36 0.41 -0.62 0.00 0.00 178.44 178.80 1l6e n THR 12 N -4.48 -0.41 -0.33 1.05 -1.04 -1.26 0.98 114.28 108.78 1l6e n THR 12 Ca -0.08 1.73 0.05 0.00 -2.04 0.00 0.00 64.05 63.71 1l6e n THR 12 Cb 0.47 -2.16 0.14 0.00 -1.82 0.00 0.00 70.33 66.96 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 0.00 0.11 -2.82 4.81 -1.98 0.77 114.58 115.47 1l6e h GLU 13 Ca 0.10 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1l6e h GLU 13 Cb 0.25 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1l6e h GLU 13 CO -0.57 0.00 -0.09 -0.07 -0.73 0.00 0.00 179.01 177.55 1l6e h LEU 14 N 0.00 -0.24 0.65 1.64 4.07 0.49 -0.42 115.31 121.50 1l6e h LEU 14 Ca 0.46 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.41 1l6e h LEU 14 Cb 0.71 0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.52 1l6e h LEU 14 CO -0.95 -0.13 -0.43 -0.07 -1.08 0.00 0.00 178.44 175.78 1l6e h LEU 15 N -0.19 -1.09 -0.99 1.67 4.07 -0.87 -2.29 115.31 115.62 1l6e h LEU 15 Ca -0.01 0.07 0.32 0.00 0.08 0.00 0.00 57.88 58.34 1l6e h LEU 15 Cb 0.16 0.33 -0.18 0.00 1.08 0.00 0.00 40.66 42.05 1l6e h LEU 15 CO 0.00 -0.65 0.24 -0.61 -1.08 0.00 0.00 178.44 176.34 1l6e h GLN 16 N -1.02 0.02 0.22 1.13 4.15 0.48 0.29 115.11 120.38 1l6e h GLN 16 Ca -0.08 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1l6e h GLN 16 Cb 0.84 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.48 1l6e h GLN 16 CO 0.06 0.01 -0.49 0.78 -1.93 0.00 0.00 178.83 177.27 1l6e h GLY 17 N 0.02 -1.19 -0.95 2.39 0.00 -0.47 -2.10 103.07 100.77 1l6e h GLY 17 Ca 0.69 0.62 0.12 0.00 0.00 0.00 0.00 47.33 48.77 1l6e h GLY 17 CO -0.85 -0.31 -0.44 2.98 0.00 0.00 0.00 176.54 177.92 1l6e n TYR 18 N -5.27 -0.14 -0.34 5.60 9.36 0.98 0.14 117.16 127.49 1l6e n TYR 18 Ca -0.09 1.18 0.19 0.00 3.32 0.00 0.00 57.90 62.49 1l6e n TYR 18 Cb 0.40 -0.75 0.40 0.00 -0.63 0.00 0.00 39.34 38.76 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 0.49 0.00 2.97 2.02 -1.14 0.78 112.91 118.04 1l6e h THR 19 Ca 0.26 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1l6e h THR 19 Cb 0.50 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1l6e h THR 19 CO -0.92 0.10 -0.06 0.58 0.37 0.00 0.00 175.52 175.58 1l6e h VAL 20 N 0.53 0.11 0.00 3.16 2.07 0.17 -2.75 116.25 119.55 1l6e h VAL 20 Ca 0.66 -1.01 -0.24 0.00 0.82 0.00 0.00 66.70 66.93 1l6e h VAL 20 Cb 1.31 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.97 1l6e h VAL 20 CO -0.50 0.06 -1.42 -0.62 0.02 0.00 0.00 177.57 175.11 1l6e n GLU 21 N -3.13 0.55 0.26 1.57 1.02 0.22 -2.57 120.64 118.56 1l6e n GLU 21 Ca 0.03 0.48 0.10 0.00 -0.02 0.00 0.00 57.16 57.75 1l6e n GLU 21 Cb 0.49 -1.67 0.72 0.00 -0.02 0.00 0.00 31.44 30.96 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 -1.00 0.86 0.02 2.62 2.07 -0.08 -2.04 116.25 118.70 1l6e h VAL 22 Ca -0.36 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 66.87 1l6e h VAL 22 Cb 1.23 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1l6e h VAL 22 CO -0.22 0.00 -1.66 0.25 0.02 0.00 0.00 177.57 175.97 1l6e h LEU 23 N 0.00 0.07 -3.77 2.57 5.85 -1.65 -1.39 115.31 116.98 1l6e h LEU 23 Ca 0.01 -0.14 -0.51 0.00 0.84 0.00 0.00 57.88 58.08 1l6e h LEU 23 Cb 0.05 -0.02 -0.25 0.00 0.37 0.00 0.00 40.66 40.81 1l6e h LEU 23 CO -0.00 1.12 0.66 0.54 -0.34 0.00 0.00 178.44 180.42 1l6e n ARG 24 N -3.15 2.26 0.00 1.25 3.00 -0.82 -4.43 116.66 114.77 1l6e n ARG 24 Ca -0.17 -2.67 0.00 0.00 -0.01 0.00 0.00 57.85 55.00 1l6e n ARG 24 Cb 1.04 -2.05 0.00 0.00 0.00 0.00 0.00 32.46 31.45 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 -0.70 0.00 -3.49 5.56 10.64 -0.92 -4.93 117.38 123.54 1l6e n GLN 25 Ca 0.52 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 55.31 1l6e n GLN 25 Cb 1.03 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 30.44 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 -0.39 -1.95 -1.20 2.61 1.13 -0.52 -4.90 117.38 112.16 1l6e n GLN 26 Ca 0.00 1.45 -0.29 0.00 -1.94 0.00 0.00 57.00 56.22 1l6e n GLN 26 Cb 0.00 -2.17 0.18 0.00 0.11 0.00 0.00 30.24 28.36 1l6e n GLN 26 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1l6e s PRO 27 N -2.47 0.27 0.45 -1.09 0.04 -1.26 -4.93 135.00 126.00 1l6e s PRO 27 Ca 0.38 0.40 0.24 0.00 0.04 0.00 0.00 61.00 62.06 1l6e s PRO 27 Cb -0.04 -1.73 1.01 0.00 0.04 0.00 0.00 34.50 33.78 1l6e s PRO 27 CO 0.87 -2.82 1.87 -1.00 0.04 0.00 0.00 177.00 175.97 1l6e h PRO 28 N -1.95 0.00 -3.39 0.56 0.13 -2.02 -3.43 132.00 121.90 1l6e h PRO 28 Ca -0.54 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.34 1l6e h PRO 28 Cb 1.33 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.15 1l6e h PRO 28 CO 0.56 0.23 -0.64 -0.51 -0.23 0.00 0.00 178.00 177.41 1l6e s ASP 29 N -6.24 -0.05 -0.03 1.44 1.01 -1.26 -5.08 116.67 106.46 1l6e s ASP 29 Ca -0.00 0.19 -0.01 0.00 0.71 0.00 0.00 52.55 53.44 1l6e s ASP 29 Cb 0.11 0.10 -0.00 0.00 1.01 0.00 0.00 42.92 44.14 1l6e s ASP 29 CO 0.63 -0.12 -0.02 0.25 0.21 0.00 0.00 175.17 176.12 1l6e h LEU 30 N 7.01 0.00 -0.25 1.23 6.46 -1.98 -3.03 115.31 124.74 1l6e h LEU 30 Ca -0.40 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.38 1l6e h LEU 30 Cb 1.15 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.05 1l6e h LEU 30 CO 0.45 0.14 -0.15 0.52 -0.62 0.00 0.00 178.44 178.78 1l6e n VAL 31 N -2.69 -0.17 -0.27 1.05 0.31 -1.26 0.21 118.33 115.51 1l6e n VAL 31 Ca -0.01 1.29 0.07 0.00 -0.01 0.00 0.00 64.34 65.68 1l6e n VAL 31 Cb 0.03 -1.65 0.21 0.00 -0.91 0.00 0.00 33.84 31.52 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 0.28 0.50 4.52 1.82 -2.00 -0.88 116.42 120.66 1l6e h ASP 32 Ca 0.04 0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 56.78 1l6e h ASP 32 Cb 0.10 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 1l6e h ASP 32 CO -0.24 0.08 -0.35 0.15 -1.61 0.00 0.00 179.24 177.27 1l6e h PHE 33 N 0.43 -0.95 -1.51 0.28 3.57 0.26 0.61 116.94 119.64 1l6e h PHE 33 Ca 0.45 -0.00 0.44 0.00 3.53 0.00 0.00 57.97 62.38 1l6e h PHE 33 Cb 0.73 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 39.75 1l6e h PHE 33 CO -0.17 -0.51 1.09 0.00 -2.23 0.00 0.00 178.31 176.50 1l6e h ALA 34 N -1.33 3.43 0.00 2.41 0.00 0.58 0.12 119.26 124.48 1l6e h ALA 34 Ca -0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1l6e h ALA 34 Cb 0.66 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1l6e h ALA 34 CO 0.04 -1.87 -0.13 0.28 0.00 0.00 0.00 179.25 177.57 1l6e h VAL 35 N 0.00 1.22 -0.67 0.00 2.07 0.20 -2.93 116.25 116.14 1l6e h VAL 35 Ca 0.72 -1.96 0.11 0.00 0.82 0.00 0.00 66.70 66.38 1l6e h VAL 35 Cb 2.89 2.35 -0.08 0.00 -1.52 0.00 0.00 31.29 34.93 1l6e h VAL 35 CO -0.01 0.41 0.26 -0.33 0.02 0.00 0.00 177.57 177.93 1l6e h GLU 36 N -1.00 0.42 0.00 1.57 4.39 0.26 0.67 114.58 120.90 1l6e h GLU 36 Ca -0.03 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1l6e h GLU 36 Cb 0.77 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1l6e h GLU 36 CO -0.02 0.28 0.00 0.98 -1.16 0.00 0.00 179.01 179.09 1l6e n TYR 37 N -4.99 0.00 -0.14 4.33 9.36 0.00 -1.60 117.16 124.12 1l6e n TYR 37 Ca 0.11 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.30 1l6e n TYR 37 Cb 0.32 -0.48 0.05 0.00 -0.63 0.00 0.00 39.34 38.60 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 0.06 -0.53 2.98 0.04 -1.48 -1.20 116.94 116.81 1l6e h PHE 38 Ca 0.00 0.03 0.10 0.00 2.80 0.00 0.00 57.97 60.91 1l6e h PHE 38 Cb 0.00 0.04 -0.09 0.00 2.20 0.00 0.00 35.95 38.11 1l6e h PHE 38 CO 0.17 -0.05 0.01 1.15 -0.60 0.00 0.00 178.31 178.98 1l6e h THR 39 N 0.17 0.58 0.00 -1.55 2.02 0.29 0.43 112.91 114.85 1l6e h THR 39 Ca 0.23 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 1l6e h THR 39 Cb 0.32 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1l6e h THR 39 CO -0.34 0.02 -0.09 -0.09 0.37 0.00 0.00 175.52 175.39 1l6e h ARG 40 N 0.12 0.00 0.00 6.66 2.43 -0.30 -2.04 114.38 121.25 1l6e h ARG 40 Ca 0.27 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.33 1l6e h ARG 40 Cb 0.42 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 1l6e h ARG 40 CO -0.44 0.09 -0.54 1.25 -1.51 0.00 0.00 179.97 178.82 1l6e h LEU 41 N 0.00 0.00 -1.81 3.80 5.85 0.97 -2.85 115.31 121.27 1l6e h LEU 41 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1l6e h LEU 41 Cb 0.32 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1l6e h LEU 41 CO 0.01 0.54 -0.05 0.03 -0.34 0.00 0.00 178.44 178.63 1l6e h ARG 42 N 0.00 0.00 0.00 1.25 2.47 -0.72 -2.01 114.38 115.36 1l6e h ARG 42 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1l6e h ARG 42 Cb 1.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 1l6e h ARG 42 CO 0.07 0.05 -0.05 0.93 0.56 0.00 0.00 179.97 181.53 1l6e h GLU 43 N 0.00 0.00 -0.17 0.04 5.08 -1.59 -3.36 114.58 114.58 1l6e h GLU 43 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1l6e h GLU 43 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1l6e h GLU 43 CO 0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 179.01 177.89 1l6e h ALA 44 N 2.36 -0.20 -1.48 3.43 0.00 -1.45 -3.41 119.26 118.51 1l6e h ALA 44 Ca 0.00 0.02 -0.52 0.00 0.00 0.00 0.00 54.91 54.41 1l6e h ALA 44 Cb 0.82 1.00 0.25 0.00 0.00 0.00 0.00 17.79 19.86 1l6e h ALA 44 CO 0.00 -0.28 -2.32 0.54 0.00 0.00 0.00 179.25 177.19 1l6e n ARG 45 N -3.41 -0.00 0.00 0.00 5.12 -1.26 -5.18 116.66 111.93 1l6e n ARG 45 Ca 0.00 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1l6e n ARG 45 Cb 0.06 -1.00 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 1l6e n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57