#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 -0.41 1.56 -1.26 -5.15 117.12 111.86 1l6e n MET 2 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1l6e n MET 2 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1l6e n MET 2 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1l6e n GLY 3 N -1.35 0.27 0.69 -5.12 0.00 -1.26 -4.03 105.19 94.39 1l6e n GLY 3 Ca 0.00 -0.58 0.07 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.15 0.26 -3.67 1.61 -0.00 -1.26 -4.81 115.22 107.20 1l6e n HIS 4 Ca 0.00 -0.22 -0.38 0.00 -0.00 0.00 0.00 57.72 57.13 1l6e n HIS 4 Cb 0.00 -0.01 -0.09 0.00 -0.00 0.00 0.00 29.99 29.89 1l6e n HIS 4 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1l6e s ILE 5 N -1.12 3.93 -0.17 3.57 1.09 -1.26 -5.03 121.20 122.21 1l6e s ILE 5 Ca 0.23 -2.88 -0.10 0.00 -1.10 0.00 0.00 60.65 56.79 1l6e s ILE 5 Cb 0.14 -3.54 0.06 0.00 -1.06 0.00 0.00 42.46 38.05 1l6e s ILE 5 CO 0.19 -0.89 0.42 0.00 -0.10 0.00 0.00 174.94 174.56 1l6e s GLN 6 N -0.01 0.41 -0.02 2.79 -2.07 -1.26 -5.02 119.66 114.48 1l6e s GLN 6 Ca 0.17 0.78 -0.00 0.00 -1.82 0.00 0.00 55.36 54.49 1l6e s GLN 6 Cb -0.19 0.01 0.02 0.00 -1.09 0.00 0.00 33.01 31.76 1l6e s GLN 6 CO -0.04 -0.15 0.03 0.42 -1.32 0.00 0.00 175.29 174.23 1l6e s ILE 7 N 1.29 -0.04 0.35 3.63 1.01 -1.26 -5.13 121.20 121.04 1l6e s ILE 7 Ca -0.09 0.15 -0.27 0.00 0.00 0.00 0.00 60.65 60.44 1l6e s ILE 7 Cb -0.08 -0.07 -0.09 0.00 0.01 0.00 0.00 42.46 42.23 1l6e s ILE 7 CO -0.12 0.06 1.17 -2.16 0.00 0.00 0.00 174.94 173.89 1l6e s PRO 8 N 0.73 4.30 0.82 2.79 0.04 -1.26 -5.03 135.00 137.38 1l6e s PRO 8 Ca -0.06 1.88 -0.14 0.00 0.04 0.00 0.00 61.00 62.73 1l6e s PRO 8 Cb -0.09 -2.90 0.20 0.00 0.04 0.00 0.00 34.50 31.75 1l6e s PRO 8 CO -0.02 -0.12 0.84 -0.35 0.04 0.00 0.00 177.00 177.38 1l6e n PRO 9 N 0.54 -1.99 0.00 0.56 -0.04 -1.26 -4.13 135.00 128.68 1l6e n PRO 9 Ca 0.02 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.16 1l6e n PRO 9 Cb 0.45 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 -2.18 1.94 0.06 0.55 0.00 -1.26 -4.73 105.19 99.57 1l6e n GLY 10 Ca 0.11 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.01 -2.00 0.99 5.85 -2.00 -2.63 115.31 115.51 1l6e h LEU 11 Ca 0.00 -0.34 0.10 0.00 0.84 0.00 0.00 57.88 58.49 1l6e h LEU 11 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1l6e h LEU 11 CO 0.00 0.33 0.41 0.74 -0.34 0.00 0.00 178.44 179.58 1l6e h THR 12 N -0.36 0.34 0.15 1.05 2.02 -1.85 -2.35 112.91 111.91 1l6e h THR 12 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1l6e h THR 12 Cb 0.35 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1l6e h THR 12 CO 0.00 0.00 -0.07 -0.33 0.37 0.00 0.00 175.52 175.49 1l6e h GLU 13 N 0.00 -0.19 -0.65 6.66 5.08 -1.86 -2.07 114.58 121.56 1l6e h GLU 13 Ca 0.17 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.67 1l6e h GLU 13 Cb 0.99 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 30.16 1l6e h GLU 13 CO -0.00 -0.13 -0.22 -0.07 -1.00 0.00 0.00 179.01 177.59 1l6e h LEU 14 N -0.75 -0.79 0.16 1.33 4.07 -1.25 -0.85 115.31 117.23 1l6e h LEU 14 Ca -0.02 0.21 -0.01 0.00 0.08 0.00 0.00 57.88 58.14 1l6e h LEU 14 Cb 0.15 0.47 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1l6e h LEU 14 CO 0.03 -0.25 -0.08 -0.07 -1.08 0.00 0.00 178.44 177.00 1l6e h LEU 15 N -0.05 -0.18 -0.84 1.67 3.38 -1.56 -2.71 115.31 115.01 1l6e h LEU 15 Ca 0.30 -0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.42 1l6e h LEU 15 Cb 0.51 0.05 -0.16 0.00 0.09 0.00 0.00 40.66 41.15 1l6e h LEU 15 CO -0.69 -0.11 -0.24 -0.61 0.09 0.00 0.00 178.44 176.88 1l6e h GLN 16 N -0.23 -0.01 0.30 1.13 4.15 -0.43 0.54 115.11 120.55 1l6e h GLN 16 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1l6e h GLN 16 Cb 0.18 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 1l6e h GLN 16 CO 0.04 -0.01 -0.51 0.78 -1.93 0.00 0.00 178.83 177.20 1l6e h GLY 17 N -0.01 -1.17 -1.00 2.39 0.00 -1.06 -1.69 103.07 100.52 1l6e h GLY 17 Ca 0.39 0.61 0.11 0.00 0.00 0.00 0.00 47.33 48.43 1l6e h GLY 17 CO -0.87 -0.32 -0.54 -1.82 0.00 0.00 0.00 176.54 172.99 1l6e h TYR 18 N -0.86 -1.71 -0.95 5.60 3.20 -0.67 1.22 116.97 122.80 1l6e h TYR 18 Ca -0.03 0.12 0.20 0.00 3.14 0.00 0.00 58.73 62.17 1l6e h TYR 18 Cb 0.81 0.88 -0.11 0.00 1.54 0.00 0.00 36.73 39.84 1l6e h TYR 18 CO -0.36 -0.38 0.53 1.15 -1.64 0.00 0.00 178.16 177.46 1l6e h THR 19 N -0.00 0.62 0.00 1.81 2.02 -0.94 0.71 112.91 117.13 1l6e h THR 19 Ca 0.20 -0.21 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 1l6e h THR 19 Cb 0.46 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1l6e h THR 19 CO -0.95 0.11 -0.41 0.58 0.37 0.00 0.00 175.52 175.22 1l6e h VAL 20 N 0.61 1.07 0.00 3.16 2.07 0.22 -2.69 116.25 120.70 1l6e h VAL 20 Ca 0.57 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1l6e h VAL 20 Cb 0.97 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1l6e h VAL 20 CO -0.44 0.40 -0.09 -0.33 0.02 0.00 0.00 177.57 177.13 1l6e h GLU 21 N 0.00 0.00 -1.02 1.57 5.08 0.37 -2.78 114.58 117.81 1l6e h GLU 21 Ca -0.00 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 58.65 1l6e h GLU 21 Cb 0.83 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 1l6e h GLU 21 CO 0.05 0.00 1.15 0.28 -1.00 0.00 0.00 179.01 179.49 1l6e h VAL 22 N -0.22 0.04 0.04 3.13 2.07 -0.02 1.38 116.25 122.67 1l6e h VAL 22 Ca 0.00 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.21 1l6e h VAL 22 Cb 0.09 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.90 1l6e h VAL 22 CO 0.00 0.00 -1.77 0.25 0.02 0.00 0.00 177.57 176.07 1l6e h LEU 23 N 0.00 0.12 -1.27 2.57 5.85 -1.62 -2.97 115.31 118.00 1l6e h LEU 23 Ca 0.48 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1l6e h LEU 23 Cb 2.77 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 43.76 1l6e h LEU 23 CO -0.01 1.24 0.00 -1.14 -0.34 0.00 0.00 178.44 178.19 1l6e n ARG 24 N -3.17 1.85 -2.38 1.25 3.00 0.46 -4.22 116.66 113.45 1l6e n ARG 24 Ca -0.21 -1.10 -0.03 0.00 -0.00 0.00 0.00 57.85 56.52 1l6e n ARG 24 Cb 1.05 -1.34 0.06 0.00 0.00 0.00 0.00 32.46 32.23 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 0.34 0.74 0.00 -0.14 -0.00 -0.61 -5.03 117.38 112.69 1l6e n GLN 25 Ca 0.10 -0.93 0.00 0.00 -0.00 0.00 0.00 57.00 56.17 1l6e n GLN 25 Cb 0.32 0.13 0.00 0.00 -0.00 0.00 0.00 30.24 30.70 1l6e n GLN 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1l6e n GLN 26 N -0.75 0.00 -2.32 2.61 1.13 -1.12 -4.74 117.38 112.19 1l6e n GLN 26 Ca -0.12 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.57 1l6e n GLN 26 Cb 0.73 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 31.07 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 0.00 3.74 0.55 -1.09 0.04 -1.26 -4.93 135.00 132.05 1l6e s PRO 27 Ca 0.00 1.67 0.33 0.00 0.04 0.00 0.00 61.00 63.05 1l6e s PRO 27 Cb 0.00 -2.32 1.36 0.00 0.04 0.00 0.00 34.50 33.58 1l6e s PRO 27 CO 0.00 -0.54 1.98 -1.00 0.04 0.00 0.00 177.00 177.48 1l6e h PRO 28 N 1.91 0.00 -1.67 0.56 0.13 -2.00 -3.42 132.00 127.51 1l6e h PRO 28 Ca -0.49 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.72 1l6e h PRO 28 Cb 1.24 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.17 1l6e h PRO 28 CO 0.60 0.01 -0.17 0.16 -0.23 0.00 0.00 178.00 178.37 1l6e s ASP 29 N -5.72 -1.23 0.01 1.44 1.47 -1.26 -5.07 116.67 106.31 1l6e s ASP 29 Ca 0.01 1.35 -0.11 0.00 1.18 0.00 0.00 52.55 54.98 1l6e s ASP 29 Cb 0.09 2.26 -0.06 0.00 -0.34 0.00 0.00 42.92 44.87 1l6e s ASP 29 CO 0.55 -0.23 0.93 0.25 0.68 0.00 0.00 175.17 177.35 1l6e h LEU 30 N 8.00 -0.33 -0.19 2.11 5.85 -1.99 -2.27 115.31 126.49 1l6e h LEU 30 Ca -0.20 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.55 1l6e h LEU 30 Cb 1.12 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1l6e h LEU 30 CO 0.15 -0.20 -0.11 0.52 -0.34 0.00 0.00 178.44 178.46 1l6e n VAL 31 N -3.31 -0.13 0.10 1.05 0.31 -1.26 0.24 118.33 115.34 1l6e n VAL 31 Ca -0.05 0.58 -0.12 0.00 -0.01 0.00 0.00 64.34 64.73 1l6e n VAL 31 Cb 0.16 -0.72 -0.06 0.00 -0.91 0.00 0.00 33.84 32.30 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 0.10 4.52 3.58 -1.99 -0.09 116.42 122.05 1l6e h ASP 32 Ca 0.03 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1l6e h ASP 32 Cb 0.08 0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 1l6e h ASP 32 CO -0.18 -0.26 -0.23 0.15 -2.88 0.00 0.00 179.24 175.85 1l6e h PHE 33 N -0.35 -0.65 -1.53 0.28 3.04 0.37 1.40 116.94 119.50 1l6e h PHE 33 Ca 0.02 0.01 0.46 0.00 3.98 0.00 0.00 57.97 62.44 1l6e h PHE 33 Cb 0.37 0.27 -0.08 0.00 2.56 0.00 0.00 35.95 39.06 1l6e h PHE 33 CO -0.18 -0.27 1.07 0.00 -2.02 0.00 0.00 178.31 176.91 1l6e h ALA 34 N -1.19 3.26 0.00 2.41 0.00 -0.01 0.53 119.26 124.25 1l6e h ALA 34 Ca -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1l6e h ALA 34 Cb 0.35 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1l6e h ALA 34 CO -0.10 -1.78 -0.27 0.28 0.00 0.00 0.00 179.25 177.39 1l6e h VAL 35 N 0.05 0.67 -0.82 0.00 2.07 0.11 -2.58 116.25 115.75 1l6e h VAL 35 Ca 0.78 -1.57 0.10 0.00 0.82 0.00 0.00 66.70 66.83 1l6e h VAL 35 Cb 2.90 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 33.95 1l6e h VAL 35 CO -0.14 0.23 0.53 -0.08 0.02 0.00 0.00 177.57 178.13 1l6e h GLU 36 N -1.00 0.73 0.22 1.57 4.81 0.34 0.32 114.58 121.56 1l6e h GLU 36 Ca -0.05 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1l6e h GLU 36 Cb 0.57 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1l6e h GLU 36 CO -0.03 0.48 -0.10 -0.92 -0.73 0.00 0.00 179.01 177.71 1l6e h TYR 37 N 0.75 -0.27 0.34 0.92 3.20 -0.15 -2.51 116.97 119.24 1l6e h TYR 37 Ca 0.38 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.24 1l6e h TYR 37 Cb 0.47 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 1l6e h TYR 37 CO -0.00 -0.17 -0.30 0.74 -1.64 0.00 0.00 178.16 176.79 1l6e h PHE 38 N -0.66 -0.81 -0.46 -3.82 0.04 -1.37 0.89 116.94 110.75 1l6e h PHE 38 Ca -0.03 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.83 1l6e h PHE 38 Cb 0.22 0.31 -0.10 0.00 2.20 0.00 0.00 35.95 38.59 1l6e h PHE 38 CO 0.04 -0.44 -0.29 1.15 -0.60 0.00 0.00 178.31 178.17 1l6e h THR 39 N -0.66 0.27 0.00 -1.55 2.02 -0.53 0.69 112.91 113.15 1l6e h THR 39 Ca -0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1l6e h THR 39 Cb 0.59 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1l6e h THR 39 CO -0.04 0.00 -0.06 -0.09 0.37 0.00 0.00 175.52 175.70 1l6e h ARG 40 N -0.19 0.00 -0.01 6.66 2.43 -1.17 -1.80 114.38 120.30 1l6e h ARG 40 Ca 0.20 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.22 1l6e h ARG 40 Cb 0.51 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1l6e h ARG 40 CO -0.57 0.06 -0.71 1.25 -1.51 0.00 0.00 179.97 178.49 1l6e h LEU 41 N 0.00 0.08 -2.40 3.80 5.85 0.29 -2.94 115.31 119.98 1l6e h LEU 41 Ca -0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1l6e h LEU 41 Cb 0.22 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1l6e h LEU 41 CO 0.01 0.76 0.01 0.03 -0.34 0.00 0.00 178.44 178.90 1l6e h ARG 42 N 0.04 0.00 0.00 1.25 3.08 -0.26 0.14 114.38 118.64 1l6e h ARG 42 Ca -0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1l6e h ARG 42 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 1l6e h ARG 42 CO 0.10 0.00 -0.36 1.49 -1.07 0.00 0.00 179.97 180.13 1l6e h GLU 43 N 0.00 0.00 0.00 0.04 4.81 -1.63 -3.37 114.58 114.43 1l6e h GLU 43 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1l6e h GLU 43 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1l6e h GLU 43 CO 0.00 0.12 0.00 0.00 -0.73 0.00 0.00 179.01 178.40 1l6e n ALA 44 N -2.16 -0.16 -0.92 2.92 0.00 0.04 -4.22 120.51 116.00 1l6e n ALA 44 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 1l6e n ALA 44 Cb 0.59 0.28 -0.09 0.00 0.00 0.00 0.00 19.45 20.22 1l6e n ALA 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1l6e n ARG 45 N -2.29 0.00 0.00 0.00 1.74 -1.26 -5.18 116.66 109.66 1l6e n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1l6e n ARG 45 Cb 0.00 -0.72 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 1l6e n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98