#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 -4.16 1.57 0.00 -1.26 -5.14 117.12 108.13 1l6e n MET 2 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 57.70 57.44 1l6e n MET 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.15 1l6e n MET 2 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1l6e s GLY 3 N -0.98 1.69 0.05 3.03 0.00 -1.26 -5.13 107.32 104.72 1l6e s GLY 3 Ca 0.00 -1.34 -0.07 0.00 0.00 0.00 0.00 44.72 43.31 1l6e s GLY 3 CO 0.00 -1.36 0.13 0.30 0.00 0.00 0.00 173.10 172.17 1l6e s HIS 4 N -1.81 0.17 -0.44 1.90 3.76 -1.26 -5.07 115.29 112.55 1l6e s HIS 4 Ca 0.29 -0.48 0.05 0.00 -0.15 0.00 0.00 55.06 54.77 1l6e s HIS 4 Cb -0.09 -0.11 0.42 0.00 1.11 0.00 0.00 32.58 33.91 1l6e s HIS 4 CO 0.21 -0.41 1.17 1.51 -0.85 0.00 0.00 174.74 176.37 1l6e n ILE 5 N 0.59 2.46 -4.13 0.60 0.13 -1.26 -5.03 119.36 112.73 1l6e n ILE 5 Ca -0.18 -4.77 -0.11 0.00 -1.10 0.00 0.00 62.75 56.59 1l6e n ILE 5 Cb 0.59 -1.25 -0.08 0.00 -0.84 0.00 0.00 39.64 38.07 1l6e n ILE 5 CO 0.00 0.00 0.00 -1.58 2.80 0.00 0.00 176.55 177.77 1l6e s GLN 6 N -3.58 1.35 -0.03 9.51 2.00 -1.26 -5.16 119.66 122.49 1l6e s GLN 6 Ca 0.49 -1.50 0.07 0.00 -2.00 0.00 0.00 55.36 52.42 1l6e s GLN 6 Cb 0.40 0.35 -0.02 0.00 0.80 0.00 0.00 33.01 34.55 1l6e s GLN 6 CO -0.16 -0.49 -0.23 0.42 -0.50 0.00 0.00 175.29 174.32 1l6e s ILE 7 N -4.08 1.87 0.85 -2.34 1.01 -1.26 -5.12 121.20 112.13 1l6e s ILE 7 Ca 0.33 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 1l6e s ILE 7 Cb 0.04 -1.56 0.10 0.00 0.01 0.00 0.00 42.46 41.05 1l6e s ILE 7 CO 0.11 0.53 1.09 -2.16 0.00 0.00 0.00 174.94 174.51 1l6e s PRO 8 N -0.42 1.63 -0.02 2.79 0.04 -1.26 -4.99 135.00 132.77 1l6e s PRO 8 Ca 0.05 0.99 -0.29 0.00 0.04 0.00 0.00 61.00 61.79 1l6e s PRO 8 Cb -0.10 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1l6e s PRO 8 CO 0.00 -2.03 0.95 -1.25 0.04 0.00 0.00 177.00 174.72 1l6e s PRO 9 N -4.90 4.52 -0.08 0.56 0.04 -1.26 -3.89 135.00 129.99 1l6e s PRO 9 Ca 0.63 1.35 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1l6e s PRO 9 Cb -0.18 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.89 1l6e s PRO 9 CO 0.57 -0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.94 1l6e n GLY 10 N 2.96 0.04 0.15 0.56 0.00 -1.26 -4.64 105.19 102.99 1l6e n GLY 10 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.12 0.99 6.46 -1.97 -3.29 115.31 115.38 1l6e h LEU 11 Ca -0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 1l6e h LEU 11 Cb 0.10 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.03 1l6e h LEU 11 CO 0.02 0.12 -0.07 0.74 -0.62 0.00 0.00 178.44 178.63 1l6e h THR 12 N 0.00 0.67 0.00 1.05 2.02 -1.82 -0.22 112.91 114.60 1l6e h THR 12 Ca -0.02 -0.28 -0.06 0.00 0.77 0.00 0.00 66.41 66.83 1l6e h THR 12 Cb 1.11 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1l6e h THR 12 CO 0.01 0.07 -0.42 -0.33 0.37 0.00 0.00 175.52 175.22 1l6e h GLU 13 N 0.00 0.00 -0.16 6.66 4.39 -1.95 -2.95 114.58 120.57 1l6e h GLU 13 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1l6e h GLU 13 Cb 0.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1l6e h GLU 13 CO 0.01 0.54 0.10 -0.07 -1.16 0.00 0.00 179.01 178.43 1l6e h LEU 14 N -1.00 0.20 0.56 1.33 3.38 -1.64 -2.69 115.31 115.44 1l6e h LEU 14 Ca -0.09 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1l6e h LEU 14 Cb 0.72 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.43 1l6e h LEU 14 CO -0.05 0.19 -0.27 0.25 0.09 0.00 0.00 178.44 178.64 1l6e h LEU 15 N 0.19 -0.64 -0.98 1.67 5.85 -1.22 -2.51 115.31 117.68 1l6e h LEU 15 Ca 0.06 -0.01 0.33 0.00 0.84 0.00 0.00 57.88 59.11 1l6e h LEU 15 Cb 0.02 0.16 -0.17 0.00 0.37 0.00 0.00 40.66 41.05 1l6e h LEU 15 CO -0.01 -0.40 0.34 1.56 -0.34 0.00 0.00 178.44 179.59 1l6e h GLN 16 N -0.82 0.07 0.11 1.25 4.20 -1.47 0.12 115.11 118.57 1l6e h GLN 16 Ca -0.08 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1l6e h GLN 16 Cb 0.60 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1l6e h GLN 16 CO 0.13 0.05 -0.23 0.78 -0.67 0.00 0.00 178.83 178.88 1l6e h GLY 17 N 0.08 -1.12 -0.92 3.46 0.00 -1.10 -0.27 103.07 103.20 1l6e h GLY 17 Ca 0.72 0.53 0.09 0.00 0.00 0.00 0.00 47.33 48.67 1l6e h GLY 17 CO -0.78 -0.36 -0.51 2.98 0.00 0.00 0.00 176.54 177.87 1l6e n TYR 18 N -3.77 -0.32 -0.26 5.60 9.36 0.40 0.25 117.16 128.41 1l6e n TYR 18 Ca -0.04 1.15 0.22 0.00 3.32 0.00 0.00 57.90 62.54 1l6e n TYR 18 Cb 0.19 -0.62 0.54 0.00 -0.63 0.00 0.00 39.34 38.82 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 0.62 0.00 2.97 2.02 -1.06 0.87 112.91 118.32 1l6e h THR 19 Ca 0.18 -0.12 -0.12 0.00 0.77 0.00 0.00 66.41 67.12 1l6e h THR 19 Cb 0.41 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1l6e h THR 19 CO -0.87 0.06 -0.74 0.58 0.37 0.00 0.00 175.52 174.92 1l6e h VAL 20 N 0.34 0.76 0.02 3.16 2.07 0.50 -2.96 116.25 120.15 1l6e h VAL 20 Ca 0.50 -2.14 -0.20 0.00 0.82 0.00 0.00 66.70 65.68 1l6e h VAL 20 Cb 1.35 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 33.41 1l6e h VAL 20 CO -0.18 0.43 -1.05 -0.33 0.02 0.00 0.00 177.57 176.46 1l6e h GLU 21 N 0.00 0.05 -0.68 1.57 5.08 0.41 -2.88 114.58 118.12 1l6e h GLU 21 Ca -0.04 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1l6e h GLU 21 Cb 1.43 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.67 1l6e h GLU 21 CO 0.06 1.04 0.45 0.28 -1.00 0.00 0.00 179.01 179.84 1l6e h VAL 22 N -0.84 1.17 -0.03 3.13 2.07 0.39 -1.94 116.25 120.19 1l6e h VAL 22 Ca -0.27 -0.31 -0.21 0.00 0.82 0.00 0.00 66.70 66.72 1l6e h VAL 22 Cb 1.34 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1l6e h VAL 22 CO -0.11 0.17 -0.85 -0.07 0.02 0.00 0.00 177.57 176.72 1l6e h LEU 23 N 0.92 0.52 0.00 2.57 4.07 -1.66 2.17 115.31 123.89 1l6e h LEU 23 Ca 0.25 -0.38 0.00 0.00 0.08 0.00 0.00 57.88 57.83 1l6e h LEU 23 Cb -0.10 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.49 1l6e h LEU 23 CO -0.06 1.16 0.00 -1.14 -1.08 0.00 0.00 178.44 177.32 1l6e n ARG 24 N -3.78 0.04 -2.29 1.13 3.00 -0.78 -3.56 116.66 110.41 1l6e n ARG 24 Ca -0.06 0.25 -0.03 0.00 -0.00 0.00 0.00 57.85 58.01 1l6e n ARG 24 Cb 0.78 -1.50 0.08 0.00 0.00 0.00 0.00 32.46 31.83 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 -1.46 1.06 0.00 -0.14 10.64 -0.88 -5.07 117.38 121.54 1l6e n GLN 25 Ca 0.04 -1.17 0.00 0.00 -1.83 0.00 0.00 57.00 54.04 1l6e n GLN 25 Cb 0.15 0.44 0.00 0.00 -0.86 0.00 0.00 30.24 29.96 1l6e n GLN 25 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1l6e n GLN 26 N -1.20 0.00 -1.22 2.61 6.02 0.73 -4.76 117.38 119.56 1l6e n GLN 26 Ca -0.20 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.49 1l6e n GLN 26 Cb 0.84 0.00 0.12 0.00 1.02 0.00 0.00 30.24 32.22 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 0.00 1.74 0.14 -1.09 0.04 -1.25 -4.96 135.00 129.61 1l6e s PRO 27 Ca 0.00 1.01 -0.11 0.00 0.04 0.00 0.00 61.00 61.94 1l6e s PRO 27 Cb 0.00 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1l6e s PRO 27 CO 0.00 -1.96 1.49 -1.00 0.04 0.00 0.00 177.00 175.57 1l6e h PRO 28 N -1.35 0.95 -3.89 0.56 0.13 -1.99 -3.44 132.00 122.96 1l6e h PRO 28 Ca -0.46 -0.47 -0.35 0.00 -0.87 0.00 0.00 66.00 63.84 1l6e h PRO 28 Cb 1.26 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.06 1l6e h PRO 28 CO 0.53 1.13 -0.75 -0.51 -0.23 0.00 0.00 178.00 178.16 1l6e s ASP 29 N -6.78 0.57 -0.12 1.44 1.01 -1.26 -5.05 116.67 106.48 1l6e s ASP 29 Ca -0.11 -0.06 -0.28 0.00 0.71 0.00 0.00 52.55 52.80 1l6e s ASP 29 Cb 0.11 -0.25 -0.25 0.00 1.01 0.00 0.00 42.92 43.54 1l6e s ASP 29 CO 0.88 -0.06 0.84 -0.07 0.21 0.00 0.00 175.17 176.97 1l6e h LEU 30 N 7.00 -0.00 -0.29 1.23 3.38 -1.98 -3.23 115.31 121.41 1l6e h LEU 30 Ca -0.39 -0.91 0.03 0.00 0.09 0.00 0.00 57.88 56.70 1l6e h LEU 30 Cb 1.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 1l6e h LEU 30 CO 0.48 0.91 -0.17 0.52 0.09 0.00 0.00 178.44 180.27 1l6e n VAL 31 N -4.65 -0.20 0.10 1.22 0.31 -1.26 0.20 118.33 114.05 1l6e n VAL 31 Ca -0.10 0.83 -0.13 0.00 -0.01 0.00 0.00 64.34 64.93 1l6e n VAL 31 Cb 0.44 -1.03 -0.08 0.00 -0.91 0.00 0.00 33.84 32.25 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 -0.17 -0.20 4.52 3.04 -2.00 -2.15 116.42 119.46 1l6e h ASP 32 Ca 0.05 -0.13 0.04 0.00 -3.24 0.00 0.00 57.03 53.75 1l6e h ASP 32 Cb 0.12 0.05 -0.04 0.00 -1.04 0.00 0.00 39.33 38.42 1l6e h ASP 32 CO -0.28 0.02 -0.06 0.15 -2.04 0.00 0.00 179.24 177.03 1l6e h PHE 33 N -0.37 -0.14 -0.53 4.15 3.57 0.79 0.33 116.94 124.74 1l6e h PHE 33 Ca -0.02 0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.65 1l6e h PHE 33 Cb 0.29 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1l6e h PHE 33 CO -0.02 -0.11 0.42 0.00 -2.23 0.00 0.00 178.31 176.38 1l6e h ALA 34 N 1.17 2.42 0.00 2.41 0.00 0.23 0.67 119.26 126.16 1l6e h ALA 34 Ca 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1l6e h ALA 34 Cb 0.17 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1l6e h ALA 34 CO -0.22 -0.70 -0.25 0.28 0.00 0.00 0.00 179.25 178.37 1l6e h VAL 35 N 0.00 0.53 -0.96 0.00 2.07 -0.18 -2.72 116.25 114.98 1l6e h VAL 35 Ca 0.25 -1.45 0.18 0.00 0.82 0.00 0.00 66.70 66.50 1l6e h VAL 35 Cb 1.09 1.05 -0.09 0.00 -1.52 0.00 0.00 31.29 31.83 1l6e h VAL 35 CO -0.00 0.18 0.61 -0.08 0.02 0.00 0.00 177.57 178.29 1l6e h GLU 36 N -1.00 0.67 0.20 1.57 4.57 -0.02 0.70 114.58 121.27 1l6e h GLU 36 Ca -0.04 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1l6e h GLU 36 Cb 0.49 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1l6e h GLU 36 CO -0.02 0.45 -0.10 -0.92 -1.18 0.00 0.00 179.01 177.23 1l6e h TYR 37 N 0.69 -0.25 0.39 0.92 3.20 -1.01 -2.92 116.97 117.99 1l6e h TYR 37 Ca 0.52 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.36 1l6e h TYR 37 Cb 0.89 0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.25 1l6e h TYR 37 CO -0.00 0.12 -0.19 0.74 -1.64 0.00 0.00 178.16 177.19 1l6e h PHE 38 N -0.93 -0.49 -0.98 -3.82 0.04 -1.14 -1.46 116.94 108.17 1l6e h PHE 38 Ca -0.03 -0.01 0.30 0.00 2.80 0.00 0.00 57.97 61.03 1l6e h PHE 38 Cb 0.49 0.16 -0.15 0.00 2.20 0.00 0.00 35.95 38.65 1l6e h PHE 38 CO 0.07 -0.16 0.51 1.15 -0.60 0.00 0.00 178.31 179.28 1l6e h THR 39 N -0.90 0.31 -0.17 -1.55 2.02 0.24 0.66 112.91 113.52 1l6e h THR 39 Ca -0.05 -0.11 -0.18 0.00 0.77 0.00 0.00 66.41 66.84 1l6e h THR 39 Cb 0.55 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1l6e h THR 39 CO 0.09 0.06 -0.63 -0.09 0.37 0.00 0.00 175.52 175.32 1l6e h ARG 40 N 0.31 0.61 -0.44 6.66 9.65 -1.41 -3.24 114.38 126.52 1l6e h ARG 40 Ca 0.70 -0.42 0.09 0.00 -1.10 0.00 0.00 59.98 59.25 1l6e h ARG 40 Cb 1.56 0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 30.11 1l6e h ARG 40 CO -0.61 1.04 -0.22 1.25 2.80 0.00 0.00 179.97 184.23 1l6e h LEU 41 N 0.45 -0.75 -1.70 3.80 5.85 0.14 2.64 115.31 125.75 1l6e h LEU 41 Ca -0.01 0.17 0.17 0.00 0.84 0.00 0.00 57.88 59.05 1l6e h LEU 41 Cb 1.20 0.40 -0.05 0.00 0.37 0.00 0.00 40.66 42.59 1l6e h LEU 41 CO 0.12 -0.25 0.51 0.03 -0.34 0.00 0.00 178.44 178.51 1l6e h ARG 42 N -0.13 0.28 0.00 1.25 2.47 -1.52 -0.00 114.38 116.72 1l6e h ARG 42 Ca 0.21 -0.02 -0.22 0.00 -1.26 0.00 0.00 59.98 58.69 1l6e h ARG 42 Cb 0.46 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.68 1l6e h ARG 42 CO -0.52 0.18 -1.80 -1.91 0.56 0.00 0.00 179.97 176.48 1l6e n GLU 43 N -4.44 0.65 0.00 0.04 4.07 0.95 -4.59 120.64 117.31 1l6e n GLU 43 Ca 0.15 0.11 -0.00 0.00 -0.06 0.00 0.00 57.16 57.36 1l6e n GLU 43 Cb 0.62 -1.69 -0.00 0.00 -0.06 0.00 0.00 31.44 30.31 1l6e n GLU 43 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1l6e h ALA 44 N 1.33 -0.19 0.00 4.31 0.00 0.57 -3.46 119.26 121.82 1l6e h ALA 44 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1l6e h ALA 44 Cb 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1l6e h ALA 44 CO 0.04 -0.19 0.00 -2.13 0.00 0.00 0.00 179.25 176.97 1l6e n ARG 45 N -2.05 0.00 -0.51 0.00 3.00 -0.14 -5.04 116.66 111.91 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