#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 -1.40 0.00 -1.26 -4.96 117.12 109.50 1l6e n MET 2 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 57.70 58.31 1l6e n MET 2 Cb 0.00 -1.16 0.00 0.00 0.00 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 -0.97 -1.77 1.30 -5.12 0.00 -1.26 -4.97 105.19 92.40 1l6e n GLY 3 Ca 0.00 0.76 -0.07 0.00 0.00 0.00 0.00 46.02 46.72 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 0.00 1.32 -4.75 1.61 8.25 -1.26 -4.99 115.22 115.40 1l6e n HIS 4 Ca 0.00 -1.65 -0.32 0.00 -0.26 0.00 0.00 57.72 55.48 1l6e n HIS 4 Cb 0.00 -0.55 -0.12 0.00 1.12 0.00 0.00 29.99 30.44 1l6e n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1l6e s ILE 5 N -3.28 3.16 0.09 1.59 -1.09 -1.26 -5.13 121.20 115.29 1l6e s ILE 5 Ca 0.46 -0.80 0.08 0.00 -2.23 0.00 0.00 60.65 58.16 1l6e s ILE 5 Cb 0.42 -2.29 -0.03 0.00 -1.58 0.00 0.00 42.46 38.98 1l6e s ILE 5 CO 0.01 0.51 -0.22 -1.10 -1.23 0.00 0.00 174.94 172.90 1l6e s GLN 6 N -1.00 1.27 -0.36 2.79 -0.21 -1.26 -4.88 119.66 116.02 1l6e s GLN 6 Ca 0.13 -1.12 -0.20 0.00 0.02 0.00 0.00 55.36 54.19 1l6e s GLN 6 Cb -0.11 -1.53 0.00 0.00 1.00 0.00 0.00 33.01 32.38 1l6e s GLN 6 CO 0.03 0.37 0.60 0.42 -2.12 0.00 0.00 175.29 174.59 1l6e s ILE 7 N -1.02 4.92 0.06 1.08 -1.09 -1.26 -5.02 121.20 118.87 1l6e s ILE 7 Ca 0.08 0.48 -0.31 0.00 -2.23 0.00 0.00 60.65 58.68 1l6e s ILE 7 Cb -0.10 -4.06 -0.06 0.00 -1.58 0.00 0.00 42.46 36.67 1l6e s ILE 7 CO 0.04 -0.31 1.31 -2.16 -1.23 0.00 0.00 174.94 172.59 1l6e s PRO 8 N 2.63 4.35 0.09 2.79 0.04 -1.26 -4.98 135.00 138.66 1l6e s PRO 8 Ca 0.23 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 1l6e s PRO 8 Cb -0.15 -3.37 -0.06 0.00 0.04 0.00 0.00 34.50 30.96 1l6e s PRO 8 CO 0.15 -0.40 1.19 -1.25 0.04 0.00 0.00 177.00 176.72 1l6e s PRO 9 N 1.42 4.46 0.00 0.56 0.04 -1.26 -2.86 135.00 137.36 1l6e s PRO 9 Ca 0.62 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1l6e s PRO 9 Cb -0.32 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 30.89 1l6e s PRO 9 CO 0.29 -0.20 0.00 0.41 0.04 0.00 0.00 177.00 177.54 1l6e n GLY 10 N 2.95 3.07 0.00 0.56 0.00 -1.26 -4.85 105.19 105.65 1l6e n GLY 10 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1l6e n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1l6e n LEU 11 N 0.00 0.34 -0.06 0.99 4.32 -1.13 -2.69 117.00 118.76 1l6e n LEU 11 Ca 0.00 0.50 -0.02 0.00 -0.02 0.00 0.00 56.01 56.48 1l6e n LEU 11 Cb 0.00 -0.43 -0.02 0.00 -1.62 0.00 0.00 43.42 41.35 1l6e n LEU 11 CO 0.00 -0.43 0.50 0.74 -1.22 0.00 0.00 177.39 176.97 1l6e h THR 12 N 0.00 0.00 -0.93 -5.08 2.02 -1.89 0.70 112.91 107.74 1l6e h THR 12 Ca 0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 1l6e h THR 12 Cb 0.00 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.27 1l6e h THR 12 CO 0.00 0.00 -0.43 -0.33 0.37 0.00 0.00 175.52 175.13 1l6e h GLU 13 N -0.01 -0.03 0.94 6.66 4.39 -1.88 0.58 114.58 125.23 1l6e h GLU 13 Ca 0.02 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1l6e h GLU 13 Cb 0.07 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1l6e h GLU 13 CO -0.14 -0.02 -0.45 1.25 -1.16 0.00 0.00 179.01 178.48 1l6e h LEU 14 N -0.04 -1.07 0.08 1.33 5.85 -0.79 -1.24 115.31 119.43 1l6e h LEU 14 Ca 0.28 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 1l6e h LEU 14 Cb 0.55 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1l6e h LEU 14 CO -0.93 -0.76 -0.10 -0.07 -0.34 0.00 0.00 178.44 176.24 1l6e h LEU 15 N -1.27 -0.27 -0.97 2.25 3.38 0.13 -2.22 115.31 116.34 1l6e h LEU 15 Ca -0.13 0.02 0.31 0.00 0.09 0.00 0.00 57.88 58.17 1l6e h LEU 15 Cb 0.97 0.09 -0.18 0.00 0.09 0.00 0.00 40.66 41.63 1l6e h LEU 15 CO 0.21 -0.12 0.18 0.00 0.09 0.00 0.00 178.44 178.80 1l6e n GLN 16 N -2.89 -0.07 -0.25 1.13 3.00 0.19 0.14 117.38 118.63 1l6e n GLN 16 Ca -0.02 1.42 0.04 0.00 -0.01 0.00 0.00 57.00 58.43 1l6e n GLN 16 Cb 0.08 -2.34 0.15 0.00 0.00 0.00 0.00 30.24 28.13 1l6e n GLN 16 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1l6e h GLY 17 N 0.00 0.82 0.53 1.08 0.00 -0.59 0.41 103.07 105.33 1l6e h GLY 17 Ca 0.66 0.10 -0.06 0.00 0.00 0.00 0.00 47.33 48.03 1l6e h GLY 17 CO -0.86 -0.27 -0.20 -1.82 0.00 0.00 0.00 176.54 173.39 1l6e h TYR 18 N 0.11 0.27 -0.96 5.60 3.20 0.14 -2.95 116.97 122.38 1l6e h TYR 18 Ca 0.40 -0.12 0.25 0.00 3.14 0.00 0.00 58.73 62.40 1l6e h TYR 18 Cb 0.69 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.86 1l6e h TYR 18 CO -0.40 0.85 0.66 1.15 -1.64 0.00 0.00 178.16 178.77 1l6e h THR 19 N -0.38 0.57 -0.04 1.81 2.02 0.47 0.12 112.91 117.47 1l6e h THR 19 Ca -0.02 -0.07 -0.20 0.00 0.77 0.00 0.00 66.41 66.89 1l6e h THR 19 Cb 0.88 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1l6e h THR 19 CO 0.04 0.04 -0.82 0.58 0.37 0.00 0.00 175.52 175.73 1l6e h VAL 20 N 0.22 1.40 0.26 3.16 2.07 -0.17 -3.08 116.25 120.11 1l6e h VAL 20 Ca 0.49 -2.32 -0.01 0.00 0.82 0.00 0.00 66.70 65.68 1l6e h VAL 20 Cb 1.56 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 33.60 1l6e h VAL 20 CO -0.13 0.69 -0.12 -0.33 0.02 0.00 0.00 177.57 177.70 1l6e h GLU 21 N 0.23 -0.33 -0.75 1.57 5.08 -0.61 -2.79 114.58 116.98 1l6e h GLU 21 Ca -0.05 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.50 1l6e h GLU 21 Cb 1.43 0.08 -0.12 0.00 0.50 0.00 0.00 28.75 30.64 1l6e h GLU 21 CO 0.14 -0.02 0.15 0.28 -1.00 0.00 0.00 179.01 178.56 1l6e h VAL 22 N -0.67 0.46 0.00 3.13 2.07 -1.50 0.71 116.25 120.45 1l6e h VAL 22 Ca -0.04 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1l6e h VAL 22 Cb 0.47 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1l6e h VAL 22 CO 0.06 0.04 -0.01 -0.07 0.02 0.00 0.00 177.57 177.61 1l6e h LEU 23 N 0.23 0.00 -2.22 2.57 3.38 -1.46 2.51 115.31 120.32 1l6e h LEU 23 Ca 0.43 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.32 1l6e h LEU 23 Cb 0.75 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 1l6e h LEU 23 CO -0.55 0.01 0.10 0.54 0.09 0.00 0.00 178.44 178.63 1l6e n ARG 24 N -4.47 1.93 0.00 1.13 5.12 0.25 -4.27 116.66 116.34 1l6e n ARG 24 Ca -0.03 -1.04 0.00 0.00 -1.93 0.00 0.00 57.85 54.85 1l6e n ARG 24 Cb 0.10 -1.60 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 1l6e n ARG 24 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1l6e n GLN 25 N 0.09 0.00 -2.94 5.56 10.64 -0.29 -5.05 117.38 125.39 1l6e n GLN 25 Ca 0.14 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.19 1l6e n GLN 25 Cb 0.71 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 30.11 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 -0.91 -2.36 -1.18 2.61 0.00 0.83 -4.97 117.38 111.39 1l6e n GLN 26 Ca 0.00 2.05 -0.29 0.00 -0.00 0.00 0.00 57.00 58.77 1l6e n GLN 26 Cb 0.00 -5.12 0.17 0.00 0.00 0.00 0.00 30.24 25.30 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 -2.53 0.47 0.00 3.69 0.04 -1.26 -4.90 135.00 130.51 1l6e s PRO 27 Ca 0.26 0.52 0.14 0.00 0.04 0.00 0.00 61.00 61.95 1l6e s PRO 27 Cb -0.06 -1.74 0.64 0.00 0.04 0.00 0.00 34.50 33.38 1l6e s PRO 27 CO 0.78 -2.71 1.41 -0.35 0.04 0.00 0.00 177.00 176.18 1l6e n PRO 28 N -4.16 0.09 -3.65 0.56 -0.04 -1.26 -4.69 135.00 121.86 1l6e n PRO 28 Ca 0.05 0.21 -0.01 0.00 -0.04 0.00 0.00 63.50 63.71 1l6e n PRO 28 Cb 0.57 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 1l6e n PRO 28 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1l6e s ASP 29 N -2.80 -0.39 -0.10 3.54 -4.77 -1.26 -5.07 116.67 105.82 1l6e s ASP 29 Ca 0.10 0.62 -0.14 0.00 -3.30 0.00 0.00 52.55 49.83 1l6e s ASP 29 Cb 0.09 1.15 -0.11 0.00 -1.09 0.00 0.00 42.92 42.96 1l6e s ASP 29 CO 0.23 -0.10 0.43 0.25 0.70 0.00 0.00 175.17 176.69 1l6e h LEU 30 N 5.80 -0.07 -0.13 2.11 5.85 -1.99 -3.21 115.31 123.67 1l6e h LEU 30 Ca -0.28 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.09 1l6e h LEU 30 Cb 1.18 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1l6e h LEU 30 CO 0.21 0.59 -0.08 0.52 -0.34 0.00 0.00 178.44 179.34 1l6e n VAL 31 N -4.78 -0.09 -0.29 1.05 0.31 -1.26 0.27 118.33 113.54 1l6e n VAL 31 Ca -0.05 0.83 0.07 0.00 -0.01 0.00 0.00 64.34 65.18 1l6e n VAL 31 Cb 0.21 -1.08 0.22 0.00 -0.91 0.00 0.00 33.84 32.27 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 0.50 -0.19 4.52 1.82 -2.00 -0.73 116.42 120.33 1l6e h ASP 32 Ca 0.02 0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 1l6e h ASP 32 Cb 0.05 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.07 1l6e h ASP 32 CO -0.12 0.21 0.08 0.15 -1.61 0.00 0.00 179.24 177.95 1l6e h PHE 33 N 0.60 0.29 -0.77 0.28 3.04 0.37 0.64 116.94 121.39 1l6e h PHE 33 Ca 0.45 -0.02 0.19 0.00 3.98 0.00 0.00 57.97 62.57 1l6e h PHE 33 Cb 0.64 -0.09 -0.04 0.00 2.56 0.00 0.00 35.95 39.02 1l6e h PHE 33 CO -0.10 0.33 0.53 0.00 -2.02 0.00 0.00 178.31 177.05 1l6e h ALA 34 N 0.94 2.40 0.00 2.41 0.00 0.19 0.12 119.26 125.31 1l6e h ALA 34 Ca 0.07 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1l6e h ALA 34 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1l6e h ALA 34 CO -0.01 -0.62 -0.73 0.28 0.00 0.00 0.00 179.25 178.17 1l6e h VAL 35 N 0.22 0.60 -0.97 0.00 2.07 -0.57 -3.05 116.25 114.56 1l6e h VAL 35 Ca 0.38 -1.67 0.19 0.00 0.82 0.00 0.00 66.70 66.42 1l6e h VAL 35 Cb 1.17 1.35 -0.09 0.00 -1.52 0.00 0.00 31.29 32.20 1l6e h VAL 35 CO -0.08 0.20 0.61 -0.08 0.02 0.00 0.00 177.57 178.24 1l6e h GLU 36 N -1.00 0.65 0.23 1.57 4.81 0.52 1.31 114.58 122.67 1l6e h GLU 36 Ca -0.15 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1l6e h GLU 36 Cb 0.86 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.10 1l6e h GLU 36 CO -0.09 0.43 -0.11 -0.92 -0.73 0.00 0.00 179.01 177.58 1l6e h TYR 37 N 0.67 -0.29 0.18 0.92 3.20 -0.92 -2.77 116.97 117.96 1l6e h TYR 37 Ca 0.53 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.38 1l6e h TYR 37 Cb 0.94 0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.31 1l6e h TYR 37 CO -0.00 0.08 -0.09 0.74 -1.64 0.00 0.00 178.16 177.25 1l6e h PHE 38 N -0.90 -0.23 -0.91 -3.82 0.04 -1.31 -3.00 116.94 106.82 1l6e h PHE 38 Ca -0.03 -0.01 0.25 0.00 2.80 0.00 0.00 57.97 60.98 1l6e h PHE 38 Cb 0.50 0.08 -0.14 0.00 2.20 0.00 0.00 35.95 38.59 1l6e h PHE 38 CO 0.06 0.16 0.31 1.15 -0.60 0.00 0.00 178.31 179.39 1l6e h THR 39 N -0.69 0.32 -0.86 -1.55 2.02 0.16 0.59 112.91 112.90 1l6e h THR 39 Ca -0.03 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 67.09 1l6e h THR 39 Cb 0.49 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 66.91 1l6e h THR 39 CO 0.04 0.04 0.56 0.03 0.37 0.00 0.00 175.52 176.56 1l6e h ARG 40 N 0.24 1.08 -0.83 6.66 3.08 -1.43 -1.36 114.38 121.82 1l6e h ARG 40 Ca 0.59 -0.06 0.09 0.00 0.07 0.00 0.00 59.98 60.67 1l6e h ARG 40 Cb 1.22 -0.24 -0.06 0.00 0.08 0.00 0.00 29.97 30.97 1l6e h ARG 40 CO -0.64 0.71 0.54 -0.07 -1.07 0.00 0.00 179.97 179.44 1l6e h LEU 41 N 1.11 0.73 -0.88 3.04 3.38 0.33 1.00 115.31 124.01 1l6e h LEU 41 Ca 0.33 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.22 1l6e h LEU 41 Cb -0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1l6e h LEU 41 CO -0.10 0.44 -0.47 0.03 0.09 0.00 0.00 178.44 178.43 1l6e h ARG 42 N 0.81 0.00 -0.02 1.13 2.47 -0.89 -2.84 114.38 115.04 1l6e h ARG 42 Ca 0.38 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.10 1l6e h ARG 42 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 1l6e h ARG 42 CO -0.15 0.47 -0.22 -1.91 0.56 0.00 0.00 179.97 178.72 1l6e n GLU 43 N -3.66 1.66 -0.13 0.04 4.07 0.20 -4.59 120.64 118.22 1l6e n GLU 43 Ca -0.01 -1.32 -0.03 0.00 -0.06 0.00 0.00 57.16 55.74 1l6e n GLU 43 Cb 0.55 -1.47 -0.03 0.00 -0.06 0.00 0.00 31.44 30.42 1l6e n GLU 43 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1l6e n ALA 44 N 0.48 -0.20 -0.55 4.31 0.00 0.32 -4.53 120.51 120.34 1l6e n ALA 44 Ca 0.12 0.27 -0.21 0.00 0.00 0.00 0.00 53.44 53.62 1l6e n ALA 44 Cb 0.50 0.23 -0.03 0.00 0.00 0.00 0.00 19.45 20.14 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 -3.68 0.00 0.00 0.00 3.00 -1.26 -5.09 116.66 109.63 1l6e n ARG 45 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 1l6e n ARG 45 Cb 0.08 -0.51 0.00 0.00 0.00 0.00 0.00 32.46 32.04 1l6e n ARG 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50