#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 4.27 -3.11 -0.41 2.00 -1.26 -5.01 117.12 113.60 1l6e n MET 2 Ca 0.00 -4.57 -0.40 0.00 0.00 0.00 0.00 57.70 52.72 1l6e n MET 2 Cb 0.00 -2.36 -0.06 0.00 0.00 0.00 0.00 33.22 30.81 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 -2.15 2.05 0.00 3.03 0.00 -1.26 -5.04 107.32 103.95 1l6e s GLY 3 Ca 0.44 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.90 1l6e s GLY 3 CO -0.17 1.32 0.00 1.42 0.00 0.00 0.00 173.10 175.66 1l6e n HIS 4 N 5.06 0.00 -3.69 1.90 8.25 -1.26 -5.12 115.22 120.36 1l6e n HIS 4 Ca -0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.17 1l6e n HIS 4 Cb 0.50 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.44 1l6e n HIS 4 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1l6e s ILE 5 N 3.30 0.36 0.00 1.59 -1.16 -1.26 -5.11 121.20 118.92 1l6e s ILE 5 Ca 0.00 -0.59 0.00 0.00 -0.51 0.00 0.00 60.65 59.55 1l6e s ILE 5 Cb 0.00 -1.00 0.00 0.00 0.61 0.00 0.00 42.46 42.07 1l6e s ILE 5 CO 0.00 -0.34 0.00 1.67 -2.81 0.00 0.00 174.94 173.46 1l6e n GLN 6 N 5.10 0.00 -1.32 3.50 7.27 -1.26 -5.12 117.38 125.56 1l6e n GLN 6 Ca -0.07 0.00 -0.51 0.00 0.07 0.00 0.00 57.00 56.49 1l6e n GLN 6 Cb 0.46 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.05 1l6e n GLN 6 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 1l6e n ILE 7 N -0.01 0.24 -2.38 1.69 -6.64 -1.26 -4.77 119.36 106.24 1l6e n ILE 7 Ca 0.00 -0.06 -0.43 0.00 -1.77 0.00 0.00 62.75 60.49 1l6e n ILE 7 Cb 0.00 0.00 -0.02 0.00 -1.44 0.00 0.00 39.64 38.18 1l6e n ILE 7 CO 0.00 0.00 0.00 -2.16 -1.77 0.00 0.00 176.55 172.62 1l6e s PRO 8 N -0.12 3.66 0.87 6.28 0.04 -1.26 -5.01 135.00 139.46 1l6e s PRO 8 Ca 0.77 0.99 -0.15 0.00 0.04 0.00 0.00 61.00 62.66 1l6e s PRO 8 Cb -1.08 -3.99 0.21 0.00 0.04 0.00 0.00 34.50 29.68 1l6e s PRO 8 CO 0.50 -1.46 0.91 -0.35 0.04 0.00 0.00 177.00 176.65 1l6e n PRO 9 N 7.89 -2.01 -1.02 0.56 -0.04 -1.26 -4.18 135.00 134.95 1l6e n PRO 9 Ca 0.16 -1.44 -0.01 0.00 -0.04 0.00 0.00 63.50 62.17 1l6e n PRO 9 Cb 0.48 -1.18 -0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 -2.55 0.43 0.17 0.55 0.00 -1.26 -4.87 105.19 97.65 1l6e n GLY 10 Ca 0.12 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.09 1l6e n GLY 10 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1l6e h LEU 11 N 0.00 0.00 0.34 0.99 3.38 -2.01 -3.34 115.31 114.67 1l6e h LEU 11 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1l6e h LEU 11 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1l6e h LEU 11 CO 0.02 0.45 -0.17 0.74 0.09 0.00 0.00 178.44 179.57 1l6e h THR 12 N 0.00 0.00 -0.76 0.22 2.02 -1.94 -2.85 112.91 109.60 1l6e h THR 12 Ca -0.00 -0.03 0.17 0.00 0.77 0.00 0.00 66.41 67.32 1l6e h THR 12 Cb 1.08 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.35 1l6e h THR 12 CO 0.06 0.00 -0.12 -1.84 0.37 0.00 0.00 175.52 173.99 1l6e n GLU 13 N -3.33 -0.07 0.25 6.66 0.28 -1.25 0.86 120.64 124.04 1l6e n GLU 13 Ca -0.06 1.17 -0.14 0.00 -0.16 0.00 0.00 57.16 57.97 1l6e n GLU 13 Cb 0.18 -1.78 -0.08 0.00 1.43 0.00 0.00 31.44 31.19 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 -1.04 0.52 -1.84 3.38 -1.66 0.71 115.31 115.37 1l6e h LEU 14 Ca 0.40 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.42 1l6e h LEU 14 Cb 0.69 0.33 0.01 0.00 0.09 0.00 0.00 40.66 41.78 1l6e h LEU 14 CO -0.76 -0.53 -0.25 -0.07 0.09 0.00 0.00 178.44 176.92 1l6e h LEU 15 N -0.82 -0.59 -0.79 1.67 3.38 -0.44 -2.75 115.31 114.98 1l6e h LEU 15 Ca -0.06 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 57.95 1l6e h LEU 15 Cb 0.69 0.15 -0.12 0.00 0.09 0.00 0.00 40.66 41.48 1l6e h LEU 15 CO -0.02 -0.26 -0.51 -0.61 0.09 0.00 0.00 178.44 177.14 1l6e h GLN 16 N -0.93 -0.12 -0.67 1.13 4.15 0.44 0.48 115.11 119.59 1l6e h GLN 16 Ca -0.07 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.49 1l6e h GLN 16 Cb 0.61 0.03 -0.13 0.00 0.21 0.00 0.00 27.48 28.20 1l6e h GLN 16 CO 0.12 -0.08 -0.19 0.78 -1.93 0.00 0.00 178.83 177.53 1l6e h GLY 17 N -0.12 0.43 -0.56 2.39 0.00 -0.84 -1.07 103.07 103.29 1l6e h GLY 17 Ca 0.19 0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.81 1l6e h GLY 17 CO -0.83 -0.25 -0.40 -1.82 0.00 0.00 0.00 176.54 173.24 1l6e h TYR 18 N -0.02 -1.27 -0.62 5.60 3.20 0.27 1.66 116.97 125.78 1l6e h TYR 18 Ca 0.32 0.08 0.18 0.00 3.14 0.00 0.00 58.73 62.44 1l6e h TYR 18 Cb 0.50 0.63 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 1l6e h TYR 18 CO -0.55 -0.28 0.77 0.00 -1.64 0.00 0.00 178.16 176.45 1l6e h THR 19 N -0.09 0.18 0.05 1.81 1.03 -0.85 0.48 112.91 115.52 1l6e h THR 19 Ca 0.09 0.00 -0.32 0.00 -0.01 0.00 0.00 66.41 66.17 1l6e h THR 19 Cb 0.33 0.36 -0.04 0.00 -1.07 0.00 0.00 68.15 67.73 1l6e h THR 19 CO -0.57 0.00 -1.78 0.58 -0.01 0.00 0.00 175.52 173.73 1l6e h VAL 20 N 0.00 0.80 -0.07 0.00 2.07 0.25 -3.02 116.25 116.28 1l6e h VAL 20 Ca 0.29 -2.60 -0.13 0.00 0.82 0.00 0.00 66.70 65.09 1l6e h VAL 20 Cb 1.84 2.48 0.01 0.00 -1.52 0.00 0.00 31.29 34.09 1l6e h VAL 20 CO -0.00 0.66 -0.46 -0.33 0.02 0.00 0.00 177.57 177.45 1l6e h GLU 21 N 0.03 0.44 0.22 1.57 5.08 0.37 -2.74 114.58 119.56 1l6e h GLU 21 Ca -0.33 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 57.65 1l6e h GLU 21 Cb 2.02 0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.35 1l6e h GLU 21 CO 0.09 1.02 -0.11 0.28 -1.00 0.00 0.00 179.01 179.29 1l6e h VAL 22 N -0.01 0.83 -0.31 3.13 2.07 -0.95 -2.38 116.25 118.64 1l6e h VAL 22 Ca -0.04 -0.33 0.09 0.00 0.82 0.00 0.00 66.70 67.24 1l6e h VAL 22 Cb 1.12 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1l6e h VAL 22 CO 0.09 0.08 0.29 0.25 0.02 0.00 0.00 177.57 178.30 1l6e h LEU 23 N -0.47 0.00 -0.72 2.57 5.85 -1.61 2.86 115.31 123.79 1l6e h LEU 23 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1l6e h LEU 23 Cb 0.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1l6e h LEU 23 CO 0.05 0.00 0.00 0.54 -0.34 0.00 0.00 178.44 178.69 1l6e n ARG 24 N -3.98 0.13 -0.22 1.25 5.12 -0.90 -3.68 116.66 114.38 1l6e n ARG 24 Ca 0.05 0.47 0.00 0.00 -1.93 0.00 0.00 57.85 56.43 1l6e n ARG 24 Cb 0.44 -1.80 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 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 -2.04 0.00 -3.53 5.56 10.64 0.10 -5.02 117.38 123.09 1l6e n GLN 25 Ca 0.01 -0.05 -0.13 0.00 -1.83 0.00 0.00 57.00 55.00 1l6e n GLN 25 Cb 0.14 -0.04 -0.01 0.00 -0.86 0.00 0.00 30.24 29.47 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 0.00 -0.87 -2.20 2.61 6.02 0.92 -4.72 117.38 119.14 1l6e n GLN 26 Ca 0.00 -0.19 -0.43 0.00 -0.01 0.00 0.00 57.00 56.37 1l6e n GLN 26 Cb 0.51 -0.52 -0.02 0.00 1.02 0.00 0.00 30.24 31.22 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 -5.21 4.17 0.00 -1.09 0.04 -1.25 -4.86 135.00 126.80 1l6e s PRO 27 Ca 0.09 1.90 0.16 0.00 0.04 0.00 0.00 61.00 63.20 1l6e s PRO 27 Cb -0.05 -3.89 0.94 0.00 0.04 0.00 0.00 34.50 31.54 1l6e s PRO 27 CO 0.31 -0.82 1.39 -0.35 0.04 0.00 0.00 177.00 177.57 1l6e n PRO 28 N 6.94 0.46 -1.15 0.56 -0.04 -1.26 -2.70 135.00 137.81 1l6e n PRO 28 Ca 0.16 0.02 -0.17 0.00 -0.04 0.00 0.00 63.50 63.47 1l6e n PRO 28 Cb 0.44 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.63 1l6e n PRO 28 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1l6e n ASP 29 N -1.05 4.12 -0.17 3.54 8.00 -1.26 -4.76 116.55 124.97 1l6e n ASP 29 Ca 0.11 -3.48 -0.05 0.00 0.71 0.00 0.00 54.79 52.09 1l6e n ASP 29 Cb 0.07 -0.80 -0.04 0.00 -0.02 0.00 0.00 41.12 40.32 1l6e n ASP 29 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1l6e n LEU 30 N -0.79 -0.44 -0.08 0.64 7.94 -1.10 0.18 117.00 123.36 1l6e n LEU 30 Ca 0.53 0.82 -0.03 0.00 -1.11 0.00 0.00 56.01 56.22 1l6e n LEU 30 Cb 1.56 -0.14 -0.02 0.00 0.53 0.00 0.00 43.42 45.35 1l6e n LEU 30 CO 0.54 -0.64 0.50 0.58 -1.11 0.00 0.00 177.39 177.26 1l6e h VAL 31 N 0.00 0.00 -0.60 1.96 2.07 -1.92 0.80 116.25 118.57 1l6e h VAL 31 Ca 0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.71 1l6e h VAL 31 Cb 0.17 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.83 1l6e h VAL 31 CO -0.39 0.00 -0.03 -0.78 0.02 0.00 0.00 177.57 176.39 1l6e h ASP 32 N -0.02 -0.33 -0.10 0.57 1.82 -0.65 -0.49 116.42 117.21 1l6e h ASP 32 Ca 0.03 0.16 0.03 0.00 -0.39 0.00 0.00 57.03 56.86 1l6e h ASP 32 Cb 0.10 0.29 -0.06 0.00 0.68 0.00 0.00 39.33 40.34 1l6e h ASP 32 CO -0.19 -0.13 -0.50 0.15 -1.61 0.00 0.00 179.24 176.96 1l6e h PHE 33 N 0.09 -1.46 -0.96 0.28 3.04 0.33 0.61 116.94 118.87 1l6e h PHE 33 Ca 0.31 0.05 0.17 0.00 3.98 0.00 0.00 57.97 62.49 1l6e h PHE 33 Cb 0.49 0.65 -0.17 0.00 2.56 0.00 0.00 35.95 39.48 1l6e h PHE 33 CO -0.39 -0.53 -0.31 0.00 -2.02 0.00 0.00 178.31 175.06 1l6e h ALA 34 N -0.17 0.41 0.47 2.41 0.00 0.21 0.82 119.26 123.40 1l6e h ALA 34 Ca 0.04 0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1l6e h ALA 34 Cb 0.68 0.85 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1l6e h ALA 34 CO -0.40 -0.49 -0.22 0.28 0.00 0.00 0.00 179.25 178.41 1l6e h VAL 35 N -0.01 0.46 -0.99 0.00 2.07 -0.51 -1.89 116.25 115.38 1l6e h VAL 35 Ca 0.41 -0.41 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1l6e h VAL 35 Cb 0.65 0.62 -0.13 0.00 -1.52 0.00 0.00 31.29 30.91 1l6e h VAL 35 CO -0.98 0.06 -0.53 -0.62 0.02 0.00 0.00 177.57 175.53 1l6e n GLU 36 N -5.26 -0.38 0.00 1.57 1.02 0.20 0.11 120.64 117.90 1l6e n GLU 36 Ca -0.11 1.50 0.00 0.00 -0.02 0.00 0.00 57.16 58.53 1l6e n GLU 36 Cb 0.30 -2.21 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 1l6e n GLU 36 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1l6e n TYR 37 N -5.30 0.00 -0.31 -0.32 9.36 -0.07 -2.22 117.16 118.31 1l6e n TYR 37 Ca 0.04 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.15 1l6e n TYR 37 Cb 0.30 -0.15 -0.09 0.00 -0.63 0.00 0.00 39.34 38.76 1l6e n TYR 37 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1l6e h PHE 38 N 0.00 -1.73 -1.00 2.98 0.04 -1.21 0.25 116.94 116.28 1l6e h PHE 38 Ca 0.00 0.11 0.22 0.00 2.80 0.00 0.00 57.97 61.10 1l6e h PHE 38 Cb 0.00 0.86 -0.19 0.00 2.20 0.00 0.00 35.95 38.82 1l6e h PHE 38 CO 0.06 -0.39 -0.17 2.41 -0.60 0.00 0.00 178.31 179.62 1l6e n THR 39 N -5.15 -0.42 -0.36 -1.55 -1.04 0.30 0.24 114.28 106.30 1l6e n THR 39 Ca 0.00 2.25 0.07 0.00 -2.04 0.00 0.00 64.05 64.34 1l6e n THR 39 Cb 0.27 -3.17 0.25 0.00 -1.82 0.00 0.00 70.33 65.86 1l6e n THR 39 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1l6e h ARG 40 N 0.00 0.96 0.00 -2.82 2.43 -0.03 0.43 114.38 115.34 1l6e h ARG 40 Ca 0.51 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.60 1l6e h ARG 40 Cb 0.87 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1l6e h ARG 40 CO -1.00 0.63 -0.10 -0.07 -1.51 0.00 0.00 179.97 177.92 1l6e h LEU 41 N 0.98 0.00 -0.86 3.80 4.07 0.36 -2.42 115.31 121.24 1l6e h LEU 41 Ca 0.49 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 58.34 1l6e h LEU 41 Cb 0.50 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 1l6e h LEU 41 CO -0.26 0.10 -0.55 0.03 -1.08 0.00 0.00 178.44 176.68 1l6e h ARG 42 N 0.00 0.00 0.00 1.13 2.47 0.13 -2.60 114.38 115.52 1l6e h ARG 42 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1l6e h ARG 42 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.85 1l6e h ARG 42 CO 0.01 0.55 0.00 0.93 0.56 0.00 0.00 179.97 182.02 1l6e h GLU 43 N 0.00 0.00 0.00 0.04 4.39 -1.12 -3.34 114.58 114.55 1l6e h GLU 43 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1l6e h GLU 43 Cb 1.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1l6e h GLU 43 CO 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.92 1l6e n ALA 44 N -1.83 -0.00 -0.19 3.43 0.00 -0.98 -4.75 120.51 116.19 1l6e n ALA 44 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1l6e n ALA 44 Cb 0.26 0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.12 0.00 -0.52 0.00 5.12 -1.26 -5.17 116.66 113.72 1l6e n ARG 45 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1l6e n ARG 45 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1l6e n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57