#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 0.06 -0.41 3.85 -1.26 -4.83 117.12 114.53 1l6e n MET 2 Ca 0.00 -0.39 0.06 0.00 -1.00 0.00 0.00 57.70 56.37 1l6e n MET 2 Cb 0.00 -0.39 0.28 0.00 -1.05 0.00 0.00 33.22 32.06 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 0.00 -0.83 1.67 3.17 0.00 -1.26 -1.93 105.19 106.01 1l6e n GLY 3 Ca 0.00 0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.78 2.07 -2.50 1.61 -0.00 -1.26 -4.65 115.22 108.71 1l6e n HIS 4 Ca 0.01 -2.07 0.02 0.00 -0.00 0.00 0.00 57.72 55.68 1l6e n HIS 4 Cb 0.09 -0.39 0.04 0.00 -0.00 0.00 0.00 29.99 29.73 1l6e n HIS 4 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 1l6e n ILE 5 N -0.84 0.60 -2.73 3.57 0.00 -0.81 -4.89 119.36 114.25 1l6e n ILE 5 Ca 0.39 -1.79 -0.09 0.00 0.00 0.00 0.00 62.75 61.26 1l6e n ILE 5 Cb 0.90 0.91 0.10 0.00 0.00 0.00 0.00 39.64 41.54 1l6e n ILE 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1l6e n GLN 6 N 0.04 1.09 -1.66 9.51 6.02 -1.26 -4.97 117.38 126.15 1l6e n GLN 6 Ca 0.09 -1.98 -0.14 0.00 -0.01 0.00 0.00 57.00 54.96 1l6e n GLN 6 Cb 1.02 -0.68 0.07 0.00 1.02 0.00 0.00 30.24 31.67 1l6e n GLN 6 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1l6e n ILE 7 N -0.03 2.34 -2.43 5.09 -0.00 -1.26 -5.05 119.36 118.02 1l6e n ILE 7 Ca 0.03 -3.83 -0.40 0.00 -0.00 0.00 0.00 62.75 58.55 1l6e n ILE 7 Cb 0.76 -0.74 -0.04 0.00 -0.00 0.00 0.00 39.64 39.62 1l6e n ILE 7 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1l6e s PRO 8 N -3.44 4.60 -0.27 6.28 0.04 -1.26 -4.99 135.00 135.96 1l6e s PRO 8 Ca 0.46 1.86 -0.28 0.00 0.04 0.00 0.00 61.00 63.07 1l6e s PRO 8 Cb 0.39 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.77 1l6e s PRO 8 CO 0.00 0.15 1.02 -1.25 0.04 0.00 0.00 177.00 176.96 1l6e s PRO 9 N -1.40 4.16 -0.28 0.56 0.04 -1.26 -3.89 135.00 132.93 1l6e s PRO 9 Ca 0.46 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1l6e s PRO 9 Cb -0.33 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1l6e s PRO 9 CO 0.42 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1l6e n GLY 10 N 3.62 0.25 0.14 0.56 0.00 -1.26 -4.68 105.19 103.82 1l6e n GLY 10 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 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 0.58 -1.17 0.99 6.46 -1.98 -3.33 115.31 116.86 1l6e h LEU 11 Ca -0.05 -0.93 0.35 0.00 -0.12 0.00 0.00 57.88 57.13 1l6e h LEU 11 Cb 0.36 -0.19 -0.14 0.00 -0.73 0.00 0.00 40.66 39.97 1l6e h LEU 11 CO 0.08 1.77 0.66 0.74 -0.62 0.00 0.00 178.44 181.07 1l6e h THR 12 N 0.05 0.27 0.15 1.05 2.02 -1.83 0.32 112.91 114.94 1l6e h THR 12 Ca -0.34 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1l6e h THR 12 Cb 2.05 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1l6e h THR 12 CO 0.16 0.05 -0.07 -0.08 0.37 0.00 0.00 175.52 175.94 1l6e h GLU 13 N 0.25 -0.20 -0.74 6.66 4.81 -1.95 0.11 114.58 123.52 1l6e h GLU 13 Ca 0.74 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.96 1l6e h GLU 13 Cb 1.93 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 31.32 1l6e h GLU 13 CO -0.52 0.04 0.37 -0.07 -0.73 0.00 0.00 179.01 178.10 1l6e h LEU 14 N -0.42 0.96 0.31 1.64 4.07 -0.67 -3.01 115.31 118.20 1l6e h LEU 14 Ca -0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 57.88 57.80 1l6e h LEU 14 Cb 0.33 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.83 1l6e h LEU 14 CO 0.03 0.81 -0.15 -0.07 -1.08 0.00 0.00 178.44 177.99 1l6e h LEU 15 N 1.04 -0.35 -0.63 1.67 4.07 -0.48 -2.43 115.31 118.20 1l6e h LEU 15 Ca 0.26 -0.09 0.06 0.00 0.08 0.00 0.00 57.88 58.18 1l6e h LEU 15 Cb 0.10 0.09 -0.08 0.00 1.08 0.00 0.00 40.66 41.85 1l6e h LEU 15 CO -0.03 -0.12 -0.37 1.67 -1.08 0.00 0.00 178.44 178.50 1l6e n GLN 16 N -5.20 -0.28 -0.12 1.13 7.27 0.37 0.05 117.38 120.60 1l6e n GLN 16 Ca -0.10 1.31 -0.08 0.00 0.07 0.00 0.00 57.00 58.20 1l6e n GLN 16 Cb 0.23 -1.93 -0.02 0.00 2.41 0.00 0.00 30.24 30.93 1l6e n GLN 16 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1l6e h GLY 17 N 0.00 -0.26 -0.67 1.69 0.00 -1.53 -1.73 103.07 100.58 1l6e h GLY 17 Ca 0.10 0.42 0.06 0.00 0.00 0.00 0.00 47.33 47.91 1l6e h GLY 17 CO -0.59 -0.21 -0.39 2.98 0.00 0.00 0.00 176.54 178.33 1l6e n TYR 18 N -5.42 -0.29 -0.28 5.60 9.36 0.11 0.19 117.16 126.43 1l6e n TYR 18 Ca 0.01 0.83 0.24 0.00 3.32 0.00 0.00 57.90 62.31 1l6e n TYR 18 Cb 0.34 -0.54 0.58 0.00 -0.63 0.00 0.00 39.34 39.09 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 0.56 0.00 2.97 2.02 -0.39 0.86 112.91 118.92 1l6e h THR 19 Ca 0.11 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1l6e h THR 19 Cb 0.27 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1l6e h THR 19 CO -0.63 0.05 0.00 0.58 0.37 0.00 0.00 175.52 175.89 1l6e h VAL 20 N 0.27 0.00 0.07 3.16 2.07 0.25 -2.94 116.25 119.12 1l6e h VAL 20 Ca 0.53 -0.64 -0.37 0.00 0.82 0.00 0.00 66.70 67.03 1l6e h VAL 20 Cb 1.55 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.90 1l6e h VAL 20 CO -0.17 0.00 -2.17 -0.62 0.02 0.00 0.00 177.57 174.63 1l6e n GLU 21 N -2.65 0.71 0.13 1.57 1.02 0.28 -2.60 120.64 119.10 1l6e n GLU 21 Ca 0.04 0.21 -0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1l6e n GLU 21 Cb 0.43 -1.64 0.28 0.00 -0.02 0.00 0.00 31.44 30.49 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 0.04 1.29 0.04 2.62 2.07 -0.98 -1.64 116.25 119.68 1l6e h VAL 22 Ca -0.48 -1.40 -0.31 0.00 0.82 0.00 0.00 66.70 65.33 1l6e h VAL 22 Cb 1.99 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 33.38 1l6e h VAL 22 CO 0.02 0.41 -1.80 0.18 0.02 0.00 0.00 177.57 176.40 1l6e n LEU 23 N -4.06 1.37 0.01 2.57 4.77 -1.11 -2.37 117.00 118.18 1l6e n LEU 23 Ca -0.01 0.35 -0.01 0.00 -0.03 0.00 0.00 56.01 56.31 1l6e n LEU 23 Cb 0.44 -0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1l6e n LEU 23 CO 0.40 0.52 0.11 -0.09 -1.33 0.00 0.00 177.39 177.01 1l6e h ARG 24 N 0.02 -0.04 0.00 3.23 2.43 -1.45 -3.35 114.38 115.21 1l6e h ARG 24 Ca -0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1l6e h ARG 24 Cb 2.02 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 1l6e h ARG 24 CO 0.08 -0.03 0.00 0.37 -1.51 0.00 0.00 179.97 178.88 1l6e h GLN 25 N -0.16 0.00 -6.48 0.20 5.75 -1.52 -3.48 115.11 109.42 1l6e h GLN 25 Ca -0.00 0.00 -0.39 0.00 -0.15 0.00 0.00 58.65 58.11 1l6e h GLN 25 Cb 0.03 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.59 1l6e h GLN 25 CO 0.01 0.00 -1.02 1.04 -2.65 0.00 0.00 178.83 176.21 1l6e n GLN 26 N -3.05 -1.72 -1.20 1.69 6.02 -1.00 -4.89 117.38 113.22 1l6e n GLN 26 Ca 0.03 1.15 -0.30 0.00 -0.01 0.00 0.00 57.00 57.86 1l6e n GLN 26 Cb 0.43 -2.68 0.12 0.00 1.02 0.00 0.00 30.24 29.13 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 -3.73 1.69 -0.02 -1.09 0.04 -1.26 -4.99 135.00 125.65 1l6e s PRO 27 Ca 0.16 1.02 -0.23 0.00 0.04 0.00 0.00 61.00 61.99 1l6e s PRO 27 Cb -0.02 -1.84 -0.15 0.00 0.04 0.00 0.00 34.50 32.53 1l6e s PRO 27 CO 0.87 -2.00 1.03 -1.00 0.04 0.00 0.00 177.00 175.95 1l6e h PRO 28 N -1.38 -0.38 -5.14 0.56 0.13 -1.99 -3.43 132.00 120.38 1l6e h PRO 28 Ca -0.47 0.03 -0.66 0.00 -0.87 0.00 0.00 66.00 64.03 1l6e h PRO 28 Cb 1.26 0.09 -0.31 0.00 0.13 0.00 0.00 31.00 32.17 1l6e h PRO 28 CO 0.52 -0.03 -0.80 -0.51 -0.23 0.00 0.00 178.00 176.95 1l6e s ASP 29 N -5.17 3.65 -0.04 1.44 1.01 -1.26 -5.03 116.67 111.28 1l6e s ASP 29 Ca -0.13 -0.49 -0.16 0.00 0.71 0.00 0.00 52.55 52.48 1l6e s ASP 29 Cb 0.01 -1.57 -0.09 0.00 1.01 0.00 0.00 42.92 42.28 1l6e s ASP 29 CO 0.48 0.05 0.65 0.25 0.21 0.00 0.00 175.17 176.81 1l6e h LEU 30 N 7.55 -0.42 -0.24 1.23 7.12 -1.99 -2.71 115.31 125.85 1l6e h LEU 30 Ca -0.37 -0.03 0.02 0.00 0.13 0.00 0.00 57.88 57.64 1l6e h LEU 30 Cb 1.18 0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 41.39 1l6e h LEU 30 CO 0.59 0.03 -0.14 0.52 -0.13 0.00 0.00 178.44 179.31 1l6e n VAL 31 N -5.11 -0.16 -0.29 1.05 0.31 -1.26 0.17 118.33 113.04 1l6e n VAL 31 Ca -0.07 1.30 0.08 0.00 -0.01 0.00 0.00 64.34 65.65 1l6e n VAL 31 Cb 0.22 -1.68 0.24 0.00 -0.91 0.00 0.00 33.84 31.71 1l6e n VAL 31 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 1l6e h ASP 32 N 0.00 0.45 0.07 4.52 2.03 -2.00 -0.79 116.42 120.70 1l6e h ASP 32 Ca 0.04 0.11 0.01 0.00 -0.73 0.00 0.00 57.03 56.45 1l6e h ASP 32 Cb 0.10 0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 38.64 1l6e h ASP 32 CO -0.22 0.15 -0.09 0.15 -1.03 0.00 0.00 179.24 178.20 1l6e h PHE 33 N 0.54 -0.22 -1.01 4.15 3.57 0.21 0.98 116.94 125.16 1l6e h PHE 33 Ca 0.48 0.00 0.24 0.00 3.53 0.00 0.00 57.97 62.23 1l6e h PHE 33 Cb 0.75 0.09 -0.09 0.00 2.79 0.00 0.00 35.95 39.49 1l6e h PHE 33 CO -0.11 -0.14 0.65 0.00 -2.23 0.00 0.00 178.31 176.48 1l6e h ALA 34 N 0.73 2.13 0.00 2.41 0.00 0.12 0.36 119.26 125.01 1l6e h ALA 34 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1l6e h ALA 34 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1l6e h ALA 34 CO -0.04 -0.51 -0.16 0.28 0.00 0.00 0.00 179.25 178.82 1l6e h VAL 35 N 0.46 0.45 -0.89 0.00 2.07 -0.59 -2.47 116.25 115.28 1l6e h VAL 35 Ca 0.57 -1.37 0.19 0.00 0.82 0.00 0.00 66.70 66.91 1l6e h VAL 35 Cb 1.35 0.88 -0.11 0.00 -1.52 0.00 0.00 31.29 31.89 1l6e h VAL 35 CO -0.30 0.15 0.44 -0.33 0.02 0.00 0.00 177.57 177.56 1l6e h GLU 36 N -1.00 0.53 0.19 1.57 4.39 0.14 1.47 114.58 121.86 1l6e h GLU 36 Ca -0.02 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1l6e h GLU 36 Cb 0.38 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1l6e h GLU 36 CO -0.01 0.35 -0.09 -0.92 -1.16 0.00 0.00 179.01 177.17 1l6e h TYR 37 N 0.54 -0.24 -0.87 4.33 3.20 -0.43 -2.99 116.97 120.51 1l6e h TYR 37 Ca 0.52 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.47 1l6e h TYR 37 Cb 0.87 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 39.16 1l6e h TYR 37 CO -0.10 -0.15 0.56 0.74 -1.64 0.00 0.00 178.16 177.58 1l6e h PHE 38 N -0.54 0.95 -0.91 -3.82 0.04 -1.27 -1.37 116.94 110.02 1l6e h PHE 38 Ca -0.03 0.03 0.10 0.00 2.80 0.00 0.00 57.97 60.87 1l6e h PHE 38 Cb 0.20 -0.31 -0.08 0.00 2.20 0.00 0.00 35.95 37.96 1l6e h PHE 38 CO 0.05 0.46 0.55 1.15 -0.60 0.00 0.00 178.31 179.92 1l6e h THR 39 N 0.90 0.94 0.00 -1.55 2.02 0.20 -0.42 112.91 115.00 1l6e h THR 39 Ca 0.39 -0.31 -0.11 0.00 0.77 0.00 0.00 66.41 67.15 1l6e h THR 39 Cb 0.33 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 1l6e h THR 39 CO -0.16 0.17 -0.53 0.03 0.37 0.00 0.00 175.52 175.40 1l6e h ARG 40 N 0.91 0.00 -0.66 6.66 3.08 -1.10 -3.13 114.38 120.14 1l6e h ARG 40 Ca 0.43 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.42 1l6e h ARG 40 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1l6e h ARG 40 CO -0.24 0.53 0.15 1.25 -1.07 0.00 0.00 179.97 180.59 1l6e h LEU 41 N 0.00 1.01 -1.10 3.04 6.46 -0.68 -1.86 115.31 122.18 1l6e h LEU 41 Ca -0.01 -0.24 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1l6e h LEU 41 Cb 1.00 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.67 1l6e h LEU 41 CO 0.07 0.98 0.08 0.54 -0.62 0.00 0.00 178.44 179.49 1l6e n ARG 42 N -4.28 0.11 -0.26 1.25 5.12 -0.99 -0.14 116.66 117.47 1l6e n ARG 42 Ca 0.04 0.59 0.07 0.00 -1.93 0.00 0.00 57.85 56.62 1l6e n ARG 42 Cb 0.26 -1.93 0.19 0.00 -1.16 0.00 0.00 32.46 29.82 1l6e n ARG 42 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1l6e n GLU 43 N -2.09 2.93 0.00 5.56 1.02 -0.71 -4.79 120.64 122.56 1l6e n GLU 43 Ca -0.01 -2.28 0.00 0.00 -0.02 0.00 0.00 57.16 54.85 1l6e n GLU 43 Cb 0.10 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1l6e n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1l6e n ALA 44 N 0.45 2.77 -0.53 0.62 0.00 0.80 -5.05 120.51 119.57 1l6e n ALA 44 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.38 1l6e n ALA 44 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.15 0.00 0.00 0.00 0.63 -0.95 -5.11 116.66 109.07 1l6e n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1l6e n ARG 45 Cb 0.00 -0.46 0.00 0.00 0.45 0.00 0.00 32.46 32.45 1l6e n ARG 45 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66