#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l6e s MET 2 N 0.00 0.84 0.42 -0.41 1.00 -1.26 -5.13 119.30 114.77 1l6e s MET 2 Ca 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 55.69 55.07 1l6e s MET 2 Cb 0.00 -2.19 -0.03 0.00 0.00 0.00 0.00 34.83 32.60 1l6e s MET 2 CO 0.00 -0.67 0.68 0.20 0.00 0.00 0.00 175.02 175.23 1l6e s GLY 3 N 1.75 1.42 -0.23 -0.03 0.00 -1.26 -5.08 107.32 103.90 1l6e s GLY 3 Ca -0.01 -0.69 -0.01 0.00 0.00 0.00 0.00 44.72 44.00 1l6e s GLY 3 CO -0.09 -0.58 0.02 0.30 0.00 0.00 0.00 173.10 172.75 1l6e s HIS 4 N -2.55 1.61 -0.16 1.90 3.76 -1.26 -5.11 115.29 113.48 1l6e s HIS 4 Ca 0.44 -1.31 -0.02 0.00 -0.15 0.00 0.00 55.06 54.02 1l6e s HIS 4 Cb -0.10 -1.33 -0.02 0.00 1.11 0.00 0.00 32.58 32.24 1l6e s HIS 4 CO 0.41 -0.71 -0.08 -1.50 -0.85 0.00 0.00 174.74 172.01 1l6e s ILE 5 N 1.66 3.42 0.00 0.60 -1.16 -1.26 -5.08 121.20 119.39 1l6e s ILE 5 Ca -0.01 -0.52 -0.01 0.00 -0.51 0.00 0.00 60.65 59.61 1l6e s ILE 5 Cb -0.18 -2.48 0.00 0.00 0.61 0.00 0.00 42.46 40.41 1l6e s ILE 5 CO -0.10 0.49 0.03 0.00 -2.81 0.00 0.00 174.94 172.56 1l6e n GLN 6 N 3.76 0.02 -3.39 3.50 6.02 -1.26 -5.14 117.38 120.88 1l6e n GLN 6 Ca -0.18 -0.04 -0.15 0.00 -0.01 0.00 0.00 57.00 56.63 1l6e n GLN 6 Cb 0.52 0.05 -0.09 0.00 1.02 0.00 0.00 30.24 31.74 1l6e n GLN 6 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1l6e s ILE 7 N -2.49 -0.46 0.15 5.09 -1.09 -1.26 -5.13 121.20 116.02 1l6e s ILE 7 Ca 0.01 -0.31 -0.30 0.00 -2.23 0.00 0.00 60.65 57.81 1l6e s ILE 7 Cb -0.00 -0.90 -0.08 0.00 -1.58 0.00 0.00 42.46 39.90 1l6e s ILE 7 CO 0.00 -0.33 1.30 -2.16 -1.23 0.00 0.00 174.94 172.53 1l6e s PRO 8 N 2.42 4.39 0.40 2.79 0.04 -1.26 -4.99 135.00 138.78 1l6e s PRO 8 Ca 0.10 2.00 -0.25 0.00 0.04 0.00 0.00 61.00 62.89 1l6e s PRO 8 Cb -0.14 -3.24 -0.09 0.00 0.04 0.00 0.00 34.50 31.08 1l6e s PRO 8 CO -0.26 -0.29 1.12 -1.25 0.04 0.00 0.00 177.00 176.36 1l6e s PRO 9 N 0.39 4.10 0.00 0.56 0.04 -1.26 -3.02 135.00 135.81 1l6e s PRO 9 Ca 0.59 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1l6e s PRO 9 Cb -0.35 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.56 1l6e s PRO 9 CO 0.34 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.55 1l6e n GLY 10 N 0.54 3.11 0.00 0.56 0.00 -1.26 -4.91 105.19 103.24 1l6e n GLY 10 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1l6e n GLY 10 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1l6e n LEU 11 N 0.00 0.00 -0.00 0.99 7.94 -1.17 -0.90 117.00 123.86 1l6e n LEU 11 Ca 0.00 0.80 -0.02 0.00 -1.11 0.00 0.00 56.01 55.68 1l6e n LEU 11 Cb 0.00 -0.30 -0.01 0.00 0.53 0.00 0.00 43.42 43.63 1l6e n LEU 11 CO 0.00 -0.30 0.50 0.74 -1.11 0.00 0.00 177.39 177.22 1l6e h THR 12 N 0.00 0.00 -0.97 1.96 2.02 -1.91 0.45 112.91 114.46 1l6e h THR 12 Ca 0.00 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.43 1l6e h THR 12 Cb 0.00 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 66.23 1l6e h THR 12 CO 0.00 0.00 -0.04 -1.84 0.37 0.00 0.00 175.52 174.01 1l6e n GLU 13 N -3.00 -0.08 0.19 6.66 0.28 -1.25 0.23 120.64 123.66 1l6e n GLU 13 Ca -0.01 1.47 0.03 0.00 -0.16 0.00 0.00 57.16 58.50 1l6e n GLU 13 Cb 0.06 -2.31 0.42 0.00 1.43 0.00 0.00 31.44 31.04 1l6e n GLU 13 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1l6e h LEU 14 N 0.00 0.05 0.10 -1.84 3.38 -0.04 -2.31 115.31 114.65 1l6e h LEU 14 Ca 0.56 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.51 1l6e h LEU 14 Cb 1.10 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1l6e h LEU 14 CO -0.94 0.31 -0.05 0.25 0.09 0.00 0.00 178.44 178.10 1l6e h LEU 15 N 0.05 -0.11 -1.63 1.67 7.12 0.51 -1.79 115.31 121.12 1l6e h LEU 15 Ca 0.01 0.00 0.38 0.00 0.13 0.00 0.00 57.88 58.40 1l6e h LEU 15 Cb 0.47 0.03 -0.09 0.00 -0.53 0.00 0.00 40.66 40.54 1l6e h LEU 15 CO 0.03 0.04 0.88 1.56 -0.13 0.00 0.00 178.44 180.82 1l6e h GLN 16 N -0.37 0.13 -0.06 1.25 4.20 -1.25 0.69 115.11 119.71 1l6e h GLN 16 Ca -0.01 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1l6e h GLN 16 Cb 0.10 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1l6e h GLN 16 CO 0.02 0.09 -0.18 0.78 -0.67 0.00 0.00 178.83 178.87 1l6e h GLY 17 N 0.14 0.24 0.92 3.46 0.00 -1.46 -1.82 103.07 104.56 1l6e h GLY 17 Ca 0.71 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 47.62 1l6e h GLY 17 CO -0.22 0.29 -0.20 -1.82 0.00 0.00 0.00 176.54 174.58 1l6e h TYR 18 N -0.30 0.75 -0.56 5.60 3.20 0.46 -2.80 116.97 123.32 1l6e h TYR 18 Ca -0.01 -0.21 0.01 0.00 3.14 0.00 0.00 58.73 61.67 1l6e h TYR 18 Cb 0.81 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 1l6e h TYR 18 CO 0.13 0.91 0.37 1.15 -1.64 0.00 0.00 178.16 179.08 1l6e h THR 19 N 0.37 1.12 0.00 1.81 2.02 0.12 -0.36 112.91 117.99 1l6e h THR 19 Ca 0.05 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 1l6e h THR 19 Cb 0.75 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1l6e h THR 19 CO 0.05 0.13 -0.29 0.58 0.37 0.00 0.00 175.52 176.37 1l6e h VAL 20 N 0.72 0.97 0.00 3.16 2.07 -1.12 -0.37 116.25 121.68 1l6e h VAL 20 Ca 0.21 -1.08 -0.11 0.00 0.82 0.00 0.00 66.70 66.54 1l6e h VAL 20 Cb -0.03 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1l6e h VAL 20 CO -0.05 0.28 -0.53 -0.33 0.02 0.00 0.00 177.57 176.96 1l6e h GLU 21 N 0.00 0.00 0.17 1.57 5.08 -0.82 -2.91 114.58 117.68 1l6e h GLU 21 Ca -0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 1l6e h GLU 21 Cb 0.60 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.86 1l6e h GLU 21 CO 0.04 0.53 -1.70 0.28 -1.00 0.00 0.00 179.01 177.16 1l6e h VAL 22 N 0.00 0.94 -0.76 3.13 2.07 -0.96 -1.84 116.25 118.83 1l6e h VAL 22 Ca -0.01 -2.49 -0.02 0.00 0.82 0.00 0.00 66.70 65.01 1l6e h VAL 22 Cb 1.22 2.75 -0.04 0.00 -1.52 0.00 0.00 31.29 33.70 1l6e h VAL 22 CO 0.07 0.84 0.39 -0.07 0.02 0.00 0.00 177.57 178.81 1l6e h LEU 23 N 0.03 0.96 0.00 2.57 3.38 -1.14 2.16 115.31 123.27 1l6e h LEU 23 Ca -0.34 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 1l6e h LEU 23 Cb 2.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 1l6e h LEU 23 CO 0.16 0.80 -0.36 0.03 0.09 0.00 0.00 178.44 179.16 1l6e h ARG 24 N 1.07 0.00 -0.01 1.13 -0.00 -1.64 -3.35 114.38 111.58 1l6e h ARG 24 Ca 0.27 0.00 -0.14 0.00 -0.50 0.00 0.00 59.98 59.60 1l6e h ARG 24 Cb 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.02 1l6e h ARG 24 CO -0.04 0.89 -0.66 1.96 0.00 0.00 0.00 179.97 182.12 1l6e h GLN 25 N -1.00 0.05 -6.85 0.04 1.08 -1.33 -3.47 115.11 103.63 1l6e h GLN 25 Ca -0.09 -0.04 -0.55 0.00 -1.45 0.00 0.00 58.65 56.52 1l6e h GLN 25 Cb 0.98 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.41 1l6e h GLN 25 CO -0.06 0.69 -1.05 1.04 -0.95 0.00 0.00 178.83 178.50 1l6e n GLN 26 N -3.77 -0.83 -1.27 1.46 1.13 0.73 -4.87 117.38 109.96 1l6e n GLN 26 Ca -0.01 0.39 -0.31 0.00 -1.94 0.00 0.00 57.00 55.12 1l6e n GLN 26 Cb 0.65 -2.43 0.09 0.00 0.11 0.00 0.00 30.24 28.66 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 -6.30 2.25 0.54 -1.09 0.04 -1.26 -4.93 135.00 124.25 1l6e s PRO 27 Ca 0.27 1.19 0.32 0.00 0.04 0.00 0.00 61.00 62.82 1l6e s PRO 27 Cb -0.15 -1.90 1.37 0.00 0.04 0.00 0.00 34.50 33.87 1l6e s PRO 27 CO 0.94 -1.65 1.99 -1.00 0.04 0.00 0.00 177.00 177.32 1l6e h PRO 28 N -1.09 0.00 -3.52 0.56 0.13 -2.00 -3.41 132.00 122.67 1l6e h PRO 28 Ca -0.44 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.29 1l6e h PRO 28 Cb 1.23 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.98 1l6e h PRO 28 CO 0.51 0.05 -0.75 -0.51 -0.23 0.00 0.00 178.00 177.07 1l6e s ASP 29 N -5.79 1.34 -0.04 1.44 1.01 -1.26 -5.06 116.67 108.32 1l6e s ASP 29 Ca 0.00 -0.01 -0.00 0.00 0.71 0.00 0.00 52.55 53.25 1l6e s ASP 29 Cb 0.10 -0.29 -0.00 0.00 1.01 0.00 0.00 42.92 43.73 1l6e s ASP 29 CO 0.55 -0.22 -0.01 0.25 0.21 0.00 0.00 175.17 175.96 1l6e h LEU 30 N 8.35 0.00 -0.40 1.23 6.46 -1.98 -2.74 115.31 126.23 1l6e h LEU 30 Ca -0.17 0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.65 1l6e h LEU 30 Cb 1.12 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.99 1l6e h LEU 30 CO 0.21 0.20 -0.15 0.52 -0.62 0.00 0.00 178.44 178.60 1l6e n VAL 31 N -3.04 -0.21 -0.04 1.05 0.31 -1.26 0.26 118.33 115.40 1l6e n VAL 31 Ca -0.00 0.93 -0.12 0.00 -0.01 0.00 0.00 64.34 65.14 1l6e n VAL 31 Cb 0.01 -1.24 -0.07 0.00 -0.91 0.00 0.00 33.84 31.64 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 0.20 -0.43 4.52 1.82 -1.99 -0.58 116.42 119.96 1l6e h ASP 32 Ca 0.14 -0.31 -0.03 0.00 -0.39 0.00 0.00 57.03 56.43 1l6e h ASP 32 Cb 0.24 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 1l6e h ASP 32 CO -0.40 0.47 0.15 0.15 -1.61 0.00 0.00 179.24 178.00 1l6e h PHE 33 N -0.07 0.68 0.00 0.28 3.04 0.39 0.31 116.94 121.58 1l6e h PHE 33 Ca 0.03 -0.06 -0.02 0.00 3.98 0.00 0.00 57.97 61.90 1l6e h PHE 33 Cb 0.37 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 38.67 1l6e h PHE 33 CO 0.03 0.61 -0.09 0.00 -2.02 0.00 0.00 178.31 176.85 1l6e h ALA 34 N 0.99 1.27 0.03 2.41 0.00 0.21 -1.83 119.26 122.35 1l6e h ALA 34 Ca 0.14 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 1l6e h ALA 34 Cb 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1l6e h ALA 34 CO -0.01 0.11 -1.11 0.28 0.00 0.00 0.00 179.25 178.53 1l6e h VAL 35 N 0.00 1.08 -0.75 0.00 2.07 -0.33 -3.03 116.25 115.28 1l6e h VAL 35 Ca -0.00 -2.27 0.08 0.00 0.82 0.00 0.00 66.70 65.33 1l6e h VAL 35 Cb 0.28 2.56 -0.07 0.00 -1.52 0.00 0.00 31.29 32.54 1l6e h VAL 35 CO 0.01 0.48 0.42 -0.08 0.02 0.00 0.00 177.57 178.43 1l6e h GLU 36 N -0.79 0.72 0.45 1.57 4.81 -0.27 0.70 114.58 121.78 1l6e h GLU 36 Ca -0.28 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 1l6e h GLU 36 Cb 1.39 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1l6e h GLU 36 CO -0.10 0.47 -0.22 -0.92 -0.73 0.00 0.00 179.01 177.52 1l6e h TYR 37 N 0.74 -0.57 0.87 0.92 3.20 -1.49 -2.14 116.97 118.50 1l6e h TYR 37 Ca 0.35 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.17 1l6e h TYR 37 Cb 0.28 0.19 0.01 0.00 1.54 0.00 0.00 36.73 38.75 1l6e h TYR 37 CO -0.07 -0.24 -0.42 0.74 -1.64 0.00 0.00 178.16 176.53 1l6e h PHE 38 N -0.95 -1.08 -0.99 -3.82 0.04 -1.38 -2.71 116.94 106.05 1l6e h PHE 38 Ca -0.06 -0.03 0.34 0.00 2.80 0.00 0.00 57.97 61.02 1l6e h PHE 38 Cb 0.58 0.36 -0.16 0.00 2.20 0.00 0.00 35.95 38.92 1l6e h PHE 38 CO 0.01 -0.67 0.48 1.15 -0.60 0.00 0.00 178.31 178.69 1l6e h THR 39 N -1.25 0.19 -0.87 -1.55 2.02 0.30 0.92 112.91 112.67 1l6e h THR 39 Ca -0.12 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.02 1l6e h THR 39 Cb 0.89 -0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 1l6e h THR 39 CO 0.20 0.03 0.57 0.03 0.37 0.00 0.00 175.52 176.72 1l6e h ARG 40 N 0.19 1.08 -0.79 6.66 3.08 -1.08 -1.56 114.38 121.96 1l6e h ARG 40 Ca 0.74 -0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.79 1l6e h ARG 40 Cb 1.75 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 31.51 1l6e h ARG 40 CO -0.68 0.72 0.52 -0.07 -1.07 0.00 0.00 179.97 179.38 1l6e h LEU 41 N 1.11 0.75 0.00 3.04 4.07 0.12 0.63 115.31 125.03 1l6e h LEU 41 Ca 0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.30 1l6e h LEU 41 Cb -0.03 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.55 1l6e h LEU 41 CO -0.10 0.48 0.00 0.54 -1.08 0.00 0.00 178.44 178.28 1l6e n ARG 42 N -4.48 0.02 0.00 1.13 5.12 -0.59 -2.37 116.66 115.49 1l6e n ARG 42 Ca 0.12 0.30 0.00 0.00 -1.93 0.00 0.00 57.85 56.34 1l6e n ARG 42 Cb 0.22 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 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 -1.47 -0.26 0.00 5.56 1.02 0.75 -4.94 120.64 121.31 1l6e n GLU 43 Ca 0.03 -0.39 0.00 0.00 -0.02 0.00 0.00 57.16 56.78 1l6e n GLU 43 Cb 0.11 -0.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 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 -0.04 2.66 0.00 0.62 0.00 0.18 -4.98 120.51 118.96 1l6e n ALA 44 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1l6e n ALA 44 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 -1.99 0.00 0.00 0.00 3.00 -1.05 -5.02 116.66 111.59 1l6e n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1l6e n ARG 45 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1l6e n ARG 45 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50