#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 1.11 0.00 -0.41 0.00 -1.26 -5.15 117.12 111.41 1l6e n MET 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 1l6e n MET 2 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 33.22 33.13 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 4.10 2.88 -5.12 0.00 -1.26 -5.11 105.19 100.68 1l6e n GLY 3 Ca 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 46.02 44.82 1l6e n GLY 3 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1l6e s HIS 4 N -2.00 -1.55 -0.47 1.61 4.02 -1.26 -5.03 115.29 110.61 1l6e s HIS 4 Ca 0.00 -0.30 0.05 0.00 1.02 0.00 0.00 55.06 55.83 1l6e s HIS 4 Cb 0.00 0.30 0.40 0.00 -1.02 0.00 0.00 32.58 32.26 1l6e s HIS 4 CO 0.00 -1.17 1.08 1.51 1.02 0.00 0.00 174.74 177.18 1l6e n ILE 5 N 3.34 2.54 -2.33 0.60 0.00 -1.26 -4.69 119.36 117.57 1l6e n ILE 5 Ca 0.15 -5.08 -0.02 0.00 0.00 0.00 0.00 62.75 57.80 1l6e n ILE 5 Cb 0.57 -1.30 0.04 0.00 0.00 0.00 0.00 39.64 38.95 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 -0.43 0.53 -3.62 9.51 10.64 -1.26 -5.11 117.38 127.63 1l6e n GLN 6 Ca 0.37 -0.66 -0.07 0.00 -1.83 0.00 0.00 57.00 54.81 1l6e n GLN 6 Cb 0.60 0.33 -0.08 0.00 -0.86 0.00 0.00 30.24 30.23 1l6e n GLN 6 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1l6e s ILE 7 N 0.05 -0.73 0.57 -0.39 -1.09 -1.26 -5.15 121.20 113.21 1l6e s ILE 7 Ca 0.03 0.12 -0.18 0.00 -2.23 0.00 0.00 60.65 58.39 1l6e s ILE 7 Cb 0.17 -0.75 -0.04 0.00 -1.58 0.00 0.00 42.46 40.26 1l6e s ILE 7 CO -0.05 0.04 1.10 -2.16 -1.23 0.00 0.00 174.94 172.64 1l6e s PRO 8 N 2.67 3.29 0.00 2.79 0.04 -1.26 -5.05 135.00 137.48 1l6e s PRO 8 Ca -0.01 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1l6e s PRO 8 Cb -0.12 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1l6e s PRO 8 CO -0.14 -0.87 0.00 -0.35 0.04 0.00 0.00 177.00 175.68 1l6e n PRO 9 N -1.65 -0.46 0.00 0.56 -0.04 -1.26 -4.22 135.00 127.92 1l6e n PRO 9 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 1l6e n PRO 9 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 1l6e n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1l6e n GLY 10 N 3.49 1.62 0.17 0.55 0.00 -1.26 -4.61 105.19 105.15 1l6e n GLY 10 Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 -1.31 0.99 7.12 -2.00 -2.90 115.31 117.21 1l6e h LEU 11 Ca 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.95 1l6e h LEU 11 Cb 0.00 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 1l6e h LEU 11 CO 0.00 0.46 -0.26 0.74 -0.13 0.00 0.00 178.44 179.25 1l6e h THR 12 N 0.00 0.76 -0.01 1.05 2.02 -1.83 -2.84 112.91 112.06 1l6e h THR 12 Ca -0.00 -1.10 -0.18 0.00 0.77 0.00 0.00 66.41 65.90 1l6e h THR 12 Cb 0.98 1.68 0.01 0.00 -1.74 0.00 0.00 68.15 69.08 1l6e h THR 12 CO 0.06 0.26 -0.71 -0.08 0.37 0.00 0.00 175.52 175.42 1l6e h GLU 13 N 0.00 0.49 -0.37 6.66 4.81 -1.89 -2.38 114.58 121.89 1l6e h GLU 13 Ca -0.00 -0.52 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 1l6e h GLU 13 Cb 0.66 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 1l6e h GLU 13 CO 0.03 1.16 0.18 -0.07 -0.73 0.00 0.00 179.01 179.59 1l6e h LEU 14 N 0.04 0.49 0.66 1.64 4.07 -1.54 -2.85 115.31 117.82 1l6e h LEU 14 Ca -0.09 -0.12 -0.03 0.00 0.08 0.00 0.00 57.88 57.72 1l6e h LEU 14 Cb 1.40 -0.13 0.01 0.00 1.08 0.00 0.00 40.66 43.02 1l6e h LEU 14 CO 0.14 0.47 -0.32 -0.07 -1.08 0.00 0.00 178.44 177.58 1l6e h LEU 15 N 0.47 -0.75 -0.35 1.67 4.07 -1.59 -2.53 115.31 116.29 1l6e h LEU 15 Ca 0.13 0.03 0.03 0.00 0.08 0.00 0.00 57.88 58.15 1l6e h LEU 15 Cb 0.11 0.19 -0.04 0.00 1.08 0.00 0.00 40.66 42.00 1l6e h LEU 15 CO -0.02 -0.39 -0.21 1.67 -1.08 0.00 0.00 178.44 178.42 1l6e n GLN 16 N -5.22 -0.15 -0.27 1.13 7.27 -0.90 0.10 117.38 119.34 1l6e n GLN 16 Ca -0.11 1.09 0.08 0.00 0.07 0.00 0.00 57.00 58.13 1l6e n GLN 16 Cb 0.35 -1.62 0.21 0.00 2.41 0.00 0.00 30.24 31.58 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 1.03 -0.47 1.69 0.00 -1.59 -0.95 103.07 102.78 1l6e h GLY 17 Ca 0.06 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.50 1l6e h GLY 17 CO -0.33 -0.32 -0.44 -1.82 0.00 0.00 0.00 176.54 173.63 1l6e h TYR 18 N 0.14 -1.39 -0.91 5.60 3.20 0.12 0.66 116.97 124.39 1l6e h TYR 18 Ca 0.47 0.08 0.24 0.00 3.14 0.00 0.00 58.73 62.65 1l6e h TYR 18 Cb 0.87 0.67 -0.05 0.00 1.54 0.00 0.00 36.73 39.75 1l6e h TYR 18 CO -0.37 -0.35 0.63 1.15 -1.64 0.00 0.00 178.16 177.58 1l6e h THR 19 N -0.21 0.59 0.00 1.81 2.02 -0.56 0.66 112.91 117.23 1l6e h THR 19 Ca 0.08 -0.06 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1l6e h THR 19 Cb 0.42 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1l6e h THR 19 CO -0.56 0.03 -0.16 0.58 0.37 0.00 0.00 175.52 175.79 1l6e h VAL 20 N 0.19 0.33 0.00 3.16 2.07 0.60 -2.87 116.25 119.73 1l6e h VAL 20 Ca 0.46 -1.11 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 1l6e h VAL 20 Cb 1.49 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 1l6e h VAL 20 CO -0.10 0.16 -0.90 -0.62 0.02 0.00 0.00 177.57 176.13 1l6e n GLU 21 N -3.22 0.50 -0.11 1.57 1.02 0.21 -2.56 120.64 118.05 1l6e n GLU 21 Ca 0.01 0.50 0.26 0.00 -0.02 0.00 0.00 57.16 57.92 1l6e n GLU 21 Cb 0.47 -1.67 0.72 0.00 -0.02 0.00 0.00 31.44 30.94 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 0.49 0.05 2.62 2.07 -1.09 0.12 116.25 119.52 1l6e h VAL 22 Ca -0.14 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.06 1l6e h VAL 22 Cb 0.85 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1l6e h VAL 22 CO -0.09 0.00 -1.76 -0.07 0.02 0.00 0.00 177.57 175.68 1l6e h LEU 23 N 0.00 0.18 0.04 2.57 3.38 -1.67 -2.34 115.31 117.48 1l6e h LEU 23 Ca 0.37 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1l6e h LEU 23 Cb 1.59 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1l6e h LEU 23 CO -0.00 1.33 -0.02 -0.09 0.09 0.00 0.00 178.44 179.75 1l6e h ARG 24 N 0.03 -0.05 0.00 1.13 9.65 -0.57 -3.36 114.38 121.21 1l6e h ARG 24 Ca -0.32 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.45 1l6e h ARG 24 Cb 2.01 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 30.59 1l6e h ARG 24 CO 0.09 -0.04 -0.55 0.37 2.80 0.00 0.00 179.97 182.65 1l6e h GLN 25 N -0.13 0.00 -6.49 0.20 5.75 -1.25 -3.48 115.11 109.70 1l6e h GLN 25 Ca -0.01 0.00 -0.39 0.00 -0.15 0.00 0.00 58.65 58.11 1l6e h GLN 25 Cb 0.04 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.60 1l6e h GLN 25 CO 0.01 0.55 -1.04 0.94 -2.65 0.00 0.00 178.83 176.65 1l6e n GLN 26 N -3.34 -1.74 -1.22 1.69 7.27 -0.88 -4.91 117.38 114.24 1l6e n GLN 26 Ca 0.01 1.17 -0.29 0.00 0.07 0.00 0.00 57.00 57.96 1l6e n GLN 26 Cb 0.70 -2.63 0.18 0.00 2.41 0.00 0.00 30.24 30.90 1l6e n GLN 26 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1l6e s PRO 27 N -3.65 0.35 -0.01 3.69 0.04 -1.26 -4.98 135.00 129.18 1l6e s PRO 27 Ca 0.17 0.41 -0.25 0.00 0.04 0.00 0.00 61.00 61.38 1l6e s PRO 27 Cb -0.02 -1.74 -0.19 0.00 0.04 0.00 0.00 34.50 32.59 1l6e s PRO 27 CO 0.87 -2.76 1.28 -1.00 0.04 0.00 0.00 177.00 175.43 1l6e h PRO 28 N -1.91 0.06 -6.79 0.56 0.13 -2.00 -3.45 132.00 118.60 1l6e h PRO 28 Ca -0.54 -0.03 -0.69 0.00 -0.87 0.00 0.00 66.00 63.87 1l6e h PRO 28 Cb 1.33 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.22 1l6e h PRO 28 CO 0.57 0.52 -0.86 -0.51 -0.23 0.00 0.00 178.00 177.49 1l6e s ASP 29 N -5.76 3.33 -0.15 1.44 1.01 -1.26 -5.05 116.67 110.24 1l6e s ASP 29 Ca -0.16 -0.64 -0.22 0.00 0.71 0.00 0.00 52.55 52.25 1l6e s ASP 29 Cb 0.02 -0.31 -0.24 0.00 1.01 0.00 0.00 42.92 43.40 1l6e s ASP 29 CO 0.69 0.22 0.52 0.25 0.21 0.00 0.00 175.17 177.05 1l6e h LEU 30 N 4.33 0.15 -0.07 1.23 7.12 -1.98 -3.21 115.31 122.89 1l6e h LEU 30 Ca -0.49 -0.78 0.01 0.00 0.13 0.00 0.00 57.88 56.75 1l6e h LEU 30 Cb 1.16 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.23 1l6e h LEU 30 CO 0.42 1.40 -0.06 0.58 -0.13 0.00 0.00 178.44 180.65 1l6e h VAL 31 N -0.73 0.00 -1.01 1.05 2.07 -1.99 0.91 116.25 116.54 1l6e h VAL 31 Ca -0.23 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.54 1l6e h VAL 31 Cb 1.39 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.07 1l6e h VAL 31 CO -0.04 0.00 0.66 -2.24 0.02 0.00 0.00 177.57 175.96 1l6e h ASP 32 N -0.02 0.45 -0.38 0.57 2.03 -2.00 0.21 116.42 117.28 1l6e h ASP 32 Ca 0.01 0.07 -0.07 0.00 -0.73 0.00 0.00 57.03 56.32 1l6e h ASP 32 Cb 0.05 -0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.54 1l6e h ASP 32 CO -0.08 0.11 -0.04 0.15 -1.03 0.00 0.00 179.24 178.36 1l6e h PHE 33 N 0.41 0.76 -0.09 4.15 3.57 -0.29 0.49 116.94 125.95 1l6e h PHE 33 Ca 0.57 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.92 1l6e h PHE 33 Cb 1.42 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 1l6e h PHE 33 CO -0.00 0.80 0.05 0.00 -2.23 0.00 0.00 178.31 176.93 1l6e h ALA 34 N 0.86 1.92 0.03 2.41 0.00 0.38 0.80 119.26 125.65 1l6e h ALA 34 Ca 0.10 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 1l6e h ALA 34 Cb 0.52 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1l6e h ALA 34 CO 0.03 0.07 -1.31 0.28 0.00 0.00 0.00 179.25 178.32 1l6e h VAL 35 N 0.12 1.36 0.05 0.00 2.07 -0.93 -3.03 116.25 115.89 1l6e h VAL 35 Ca 0.03 -3.09 -0.25 0.00 0.82 0.00 0.00 66.70 64.21 1l6e h VAL 35 Cb 0.01 2.71 0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1l6e h VAL 35 CO -0.01 0.81 -1.07 1.05 0.02 0.00 0.00 177.57 178.37 1l6e h GLU 36 N 0.02 0.40 0.28 1.57 4.11 -0.07 -2.33 114.58 118.56 1l6e h GLU 36 Ca -0.14 -0.50 -0.01 0.00 0.07 0.00 0.00 59.36 58.78 1l6e h GLU 36 Cb 1.89 0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.30 1l6e h GLU 36 CO 0.12 1.17 -0.13 -0.92 0.07 0.00 0.00 179.01 179.33 1l6e h TYR 37 N 0.19 -0.34 0.27 2.06 3.20 -0.99 -2.70 116.97 118.66 1l6e h TYR 37 Ca -0.11 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.74 1l6e h TYR 37 Cb 1.73 0.11 0.00 0.00 1.54 0.00 0.00 36.73 40.12 1l6e h TYR 37 CO 0.07 -0.09 -0.13 0.74 -1.64 0.00 0.00 178.16 177.11 1l6e h PHE 38 N -1.04 -0.33 -0.42 -3.82 0.04 -1.68 -1.75 116.94 107.94 1l6e h PHE 38 Ca -0.04 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.81 1l6e h PHE 38 Cb 0.41 0.11 -0.09 0.00 2.20 0.00 0.00 35.95 38.57 1l6e h PHE 38 CO 0.03 -0.16 -0.28 1.15 -0.60 0.00 0.00 178.31 178.46 1l6e h THR 39 N -0.42 0.29 -0.13 -1.55 2.02 -1.56 0.74 112.91 112.29 1l6e h THR 39 Ca -0.04 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.18 1l6e h THR 39 Cb 0.32 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1l6e h THR 39 CO 0.06 0.00 0.14 -0.09 0.37 0.00 0.00 175.52 176.00 1l6e h ARG 40 N -0.20 0.00 -0.87 6.66 2.43 -1.32 -0.99 114.38 120.09 1l6e h ARG 40 Ca 0.19 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1l6e h ARG 40 Cb 0.51 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 1l6e h ARG 40 CO -0.54 0.00 0.49 1.25 -1.51 0.00 0.00 179.97 179.67 1l6e h LEU 41 N 0.00 1.07 -2.01 3.80 7.12 0.14 -1.40 115.31 124.03 1l6e h LEU 41 Ca 0.06 -0.09 0.10 0.00 0.13 0.00 0.00 57.88 58.08 1l6e h LEU 41 Cb 0.35 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 40.19 1l6e h LEU 41 CO -0.00 0.85 0.40 0.03 -0.13 0.00 0.00 178.44 179.59 1l6e h ARG 42 N 1.21 0.00 0.00 1.25 -0.00 -0.96 0.28 114.38 116.15 1l6e h ARG 42 Ca 0.31 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.73 1l6e h ARG 42 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.97 1l6e h ARG 42 CO -0.05 0.00 -0.27 1.49 0.00 0.00 0.00 179.97 181.14 1l6e h GLU 43 N 0.00 0.00 0.01 0.04 4.57 -1.37 -3.27 114.58 114.57 1l6e h GLU 43 Ca 0.16 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1l6e h GLU 43 Cb 0.96 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 1l6e h GLU 43 CO -0.00 0.27 -0.01 0.00 -1.18 0.00 0.00 179.01 178.09 1l6e h ALA 44 N 1.73 -0.93 -1.41 2.92 0.00 -0.55 -3.44 119.26 117.58 1l6e h ALA 44 Ca -0.00 -0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.39 1l6e h ALA 44 Cb 0.52 0.01 0.25 0.00 0.00 0.00 0.00 17.79 18.57 1l6e h ALA 44 CO 0.03 -0.93 -2.32 -2.13 0.00 0.00 0.00 179.25 173.91 1l6e n ARG 45 N -2.04 -0.08 -0.36 0.00 0.63 -1.23 -5.18 116.66 108.39 1l6e n ARG 45 Ca -0.00 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1l6e n ARG 45 Cb 0.01 -1.05 0.00 0.00 0.45 0.00 0.00 32.46 31.86 1l6e n ARG 45 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99