#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l6e h MET 2 N 0.00 0.33 0.00 -0.41 0.00 -2.15 -3.46 114.93 109.25 1l6e h MET 2 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 59.70 59.68 1l6e h MET 2 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 31.60 31.52 1l6e h MET 2 CO 0.00 0.22 0.00 0.41 0.00 0.00 0.00 176.91 177.54 1l6e n GLY 3 N -1.30 0.06 3.34 8.32 0.00 -1.26 -4.91 105.19 109.44 1l6e n GLY 3 Ca 0.30 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 45.20 1l6e n GLY 3 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1l6e s HIS 4 N 0.00 1.60 -0.08 1.61 5.65 -1.26 -5.15 115.29 117.65 1l6e s HIS 4 Ca 0.00 -1.07 0.05 0.00 0.25 0.00 0.00 55.06 54.29 1l6e s HIS 4 Cb 0.00 -0.96 -0.00 0.00 -1.18 0.00 0.00 32.58 30.44 1l6e s HIS 4 CO 0.00 -0.20 -0.23 0.42 -0.65 0.00 0.00 174.74 174.09 1l6e s ILE 5 N -3.59 1.93 -0.36 0.89 1.09 -1.26 -5.08 121.20 114.82 1l6e s ILE 5 Ca 0.34 -0.97 0.04 0.00 -1.10 0.00 0.00 60.65 58.96 1l6e s ILE 5 Cb 0.07 -1.66 0.16 0.00 -1.06 0.00 0.00 42.46 39.98 1l6e s ILE 5 CO 0.12 0.53 0.43 -1.10 -0.10 0.00 0.00 174.94 174.82 1l6e s GLN 6 N 0.17 0.61 -0.14 2.79 -1.52 -1.26 -5.10 119.66 115.20 1l6e s GLN 6 Ca -0.12 -0.49 -0.29 0.00 -1.95 0.00 0.00 55.36 52.50 1l6e s GLN 6 Cb -0.16 -0.47 -0.05 0.00 -0.22 0.00 0.00 33.01 32.10 1l6e s GLN 6 CO 0.06 -1.15 1.96 0.42 -0.25 0.00 0.00 175.29 176.33 1l6e s ILE 7 N 1.80 3.21 0.03 1.08 -1.09 -1.26 -4.92 121.20 120.06 1l6e s ILE 7 Ca 0.15 0.24 -0.30 0.00 -2.23 0.00 0.00 60.65 58.50 1l6e s ILE 7 Cb -0.12 -3.22 -0.06 0.00 -1.58 0.00 0.00 42.46 37.48 1l6e s ILE 7 CO -0.11 -0.10 1.35 -2.16 -1.23 0.00 0.00 174.94 172.69 1l6e s PRO 8 N 5.29 4.32 0.00 2.79 0.04 -1.26 -5.02 135.00 141.16 1l6e s PRO 8 Ca 0.88 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.86 1l6e s PRO 8 Cb -0.33 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1l6e s PRO 8 CO 0.35 -0.48 0.00 -0.35 0.04 0.00 0.00 177.00 176.56 1l6e n PRO 9 N 4.79 -0.41 0.00 0.56 -0.04 -1.26 -4.21 135.00 134.43 1l6e n PRO 9 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1l6e n PRO 9 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 3.45 1.50 0.30 0.55 0.00 -1.26 -4.65 105.19 105.08 1l6e n GLY 10 Ca 0.00 -0.12 0.16 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.99 5.85 -2.01 -3.22 115.31 116.92 1l6e h LEU 11 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1l6e h LEU 11 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1l6e h LEU 11 CO 0.00 0.01 0.00 0.41 -0.34 0.00 0.00 178.44 178.52 1l6e n THR 12 N -3.70 0.00 -0.25 1.05 -1.04 -1.26 -0.19 114.28 108.88 1l6e n THR 12 Ca -0.03 1.39 0.07 0.00 -2.04 0.00 0.00 64.05 63.44 1l6e n THR 12 Cb 0.09 -1.88 0.15 0.00 -1.82 0.00 0.00 70.33 66.87 1l6e n THR 12 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1l6e n GLU 13 N -2.59 -0.06 0.00 -2.82 -0.58 -1.22 0.62 120.64 114.00 1l6e n GLU 13 Ca 0.00 1.09 0.00 0.00 -0.42 0.00 0.00 57.16 57.83 1l6e n GLU 13 Cb 0.00 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1l6e n GLU 13 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1l6e n LEU 14 N -5.07 0.07 -0.27 -4.62 4.32 0.73 -0.74 117.00 111.41 1l6e n LEU 14 Ca 0.14 0.59 0.01 0.00 -0.02 0.00 0.00 56.01 56.72 1l6e n LEU 14 Cb 0.45 -0.10 0.07 0.00 -1.62 0.00 0.00 43.42 42.22 1l6e n LEU 14 CO -0.07 -0.10 0.68 -0.07 -1.22 0.00 0.00 177.39 176.61 1l6e h LEU 15 N 0.00 -0.89 -0.67 2.23 4.07 -0.52 0.41 115.31 119.94 1l6e h LEU 15 Ca 0.00 0.24 0.14 0.00 0.08 0.00 0.00 57.88 58.35 1l6e h LEU 15 Cb 0.00 0.53 -0.12 0.00 1.08 0.00 0.00 40.66 42.16 1l6e h LEU 15 CO 0.00 -0.27 -0.02 -0.61 -1.08 0.00 0.00 178.44 176.45 1l6e h GLN 16 N -0.03 0.09 -0.38 1.13 4.15 0.16 0.25 115.11 120.49 1l6e h GLN 16 Ca 0.35 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.84 1l6e h GLN 16 Cb 0.58 -0.02 -0.09 0.00 0.21 0.00 0.00 27.48 28.16 1l6e h GLN 16 CO -0.81 0.06 -0.33 0.78 -1.93 0.00 0.00 178.83 176.60 1l6e h GLY 17 N 0.09 -0.28 -0.94 2.39 0.00 0.20 -0.90 103.07 103.64 1l6e h GLY 17 Ca 0.35 0.42 0.12 0.00 0.00 0.00 0.00 47.33 48.22 1l6e h GLY 17 CO -0.60 -0.21 -0.48 -1.82 0.00 0.00 0.00 176.54 173.43 1l6e h TYR 18 N -0.27 -1.47 -0.57 5.60 3.20 -0.66 0.50 116.97 123.29 1l6e h TYR 18 Ca 0.16 0.11 0.11 0.00 3.14 0.00 0.00 58.73 62.26 1l6e h TYR 18 Cb 0.54 0.77 -0.11 0.00 1.54 0.00 0.00 36.73 39.48 1l6e h TYR 18 CO -0.53 -0.39 -0.15 1.15 -1.64 0.00 0.00 178.16 176.60 1l6e h THR 19 N -0.03 0.42 -0.04 1.81 2.02 -1.02 1.17 112.91 117.24 1l6e h THR 19 Ca 0.25 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.44 1l6e h THR 19 Cb 0.51 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1l6e h THR 19 CO -0.93 0.00 0.03 0.58 0.37 0.00 0.00 175.52 175.57 1l6e h VAL 20 N -0.00 0.76 0.00 3.16 2.07 0.36 0.88 116.25 123.48 1l6e h VAL 20 Ca 0.28 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.61 1l6e h VAL 20 Cb 0.42 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1l6e h VAL 20 CO -0.59 0.00 -1.04 -0.33 0.02 0.00 0.00 177.57 175.63 1l6e h GLU 21 N 0.00 0.00 -0.72 1.57 5.08 0.19 -2.99 114.58 117.71 1l6e h GLU 21 Ca 0.02 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1l6e h GLU 21 Cb 0.09 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1l6e h GLU 21 CO -0.00 0.92 0.47 0.28 -1.00 0.00 0.00 179.01 179.68 1l6e h VAL 22 N -1.00 1.04 -0.17 3.13 2.07 0.12 1.98 116.25 123.42 1l6e h VAL 22 Ca -0.28 -0.26 -0.17 0.00 0.82 0.00 0.00 66.70 66.81 1l6e h VAL 22 Cb 1.20 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1l6e h VAL 22 CO -0.17 0.14 -0.55 -0.07 0.02 0.00 0.00 177.57 176.94 1l6e h LEU 23 N 0.77 0.77 0.07 2.57 3.38 -0.98 1.28 115.31 123.17 1l6e h LEU 23 Ca 0.30 -0.60 -0.16 0.00 0.09 0.00 0.00 57.88 57.52 1l6e h LEU 23 Cb 0.22 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 40.76 1l6e h LEU 23 CO -0.10 1.24 -0.66 -0.09 0.09 0.00 0.00 178.44 178.92 1l6e h ARG 24 N 0.35 0.33 0.04 1.13 9.65 -1.18 -3.33 114.38 121.37 1l6e h ARG 24 Ca -0.02 -0.44 -0.24 0.00 -1.10 0.00 0.00 59.98 58.17 1l6e h ARG 24 Cb 1.18 0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.88 1l6e h ARG 24 CO 0.12 1.15 -1.18 1.96 2.80 0.00 0.00 179.97 184.82 1l6e h GLN 25 N -0.29 0.09 -6.85 0.20 1.08 0.30 -3.48 115.11 106.16 1l6e h GLN 25 Ca -0.10 -0.15 -0.58 0.00 -1.45 0.00 0.00 58.65 56.38 1l6e h GLN 25 Cb 1.44 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 28.87 1l6e h GLN 25 CO 0.13 1.01 -0.98 1.04 -0.95 0.00 0.00 178.83 179.07 1l6e n GLN 26 N -3.37 -0.81 -1.32 1.46 1.13 0.44 -4.88 117.38 110.03 1l6e n GLN 26 Ca -0.05 0.15 -0.31 0.00 -1.94 0.00 0.00 57.00 54.85 1l6e n GLN 26 Cb 0.98 -3.16 0.08 0.00 0.11 0.00 0.00 30.24 28.25 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 -7.18 2.36 0.26 -1.09 0.04 -1.26 -4.95 135.00 123.17 1l6e s PRO 27 Ca 0.32 1.16 0.03 0.00 0.04 0.00 0.00 61.00 62.56 1l6e s PRO 27 Cb -0.17 -1.91 0.32 0.00 0.04 0.00 0.00 34.50 32.79 1l6e s PRO 27 CO 0.96 -1.57 1.63 -1.00 0.04 0.00 0.00 177.00 177.06 1l6e h PRO 28 N -1.01 0.35 -3.77 0.56 0.13 -1.99 -3.43 132.00 122.83 1l6e h PRO 28 Ca -0.44 -0.19 -0.33 0.00 -0.87 0.00 0.00 66.00 64.18 1l6e h PRO 28 Cb 1.23 0.01 -0.33 0.00 0.13 0.00 0.00 31.00 32.04 1l6e h PRO 28 CO 0.52 0.74 -0.74 -0.51 -0.23 0.00 0.00 178.00 177.78 1l6e s ASP 29 N -6.88 0.37 -0.07 1.44 1.01 -1.26 -5.04 116.67 106.24 1l6e s ASP 29 Ca -0.05 -0.03 -0.24 0.00 0.71 0.00 0.00 52.55 52.94 1l6e s ASP 29 Cb 0.13 -0.17 -0.26 0.00 1.01 0.00 0.00 42.92 43.62 1l6e s ASP 29 CO 0.80 -0.07 0.94 -0.07 0.21 0.00 0.00 175.17 176.97 1l6e h LEU 30 N 7.00 0.26 -0.08 1.23 3.38 -1.99 -3.28 115.31 121.83 1l6e h LEU 30 Ca -0.40 -0.87 0.01 0.00 0.09 0.00 0.00 57.88 56.71 1l6e h LEU 30 Cb 1.15 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1l6e h LEU 30 CO 0.48 1.11 -0.05 0.52 0.09 0.00 0.00 178.44 180.60 1l6e n VAL 31 N -4.40 -0.05 -0.10 1.22 0.31 -1.26 0.12 118.33 114.16 1l6e n VAL 31 Ca -0.11 0.87 -0.06 0.00 -0.01 0.00 0.00 64.34 65.03 1l6e n VAL 31 Cb 0.60 -1.14 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 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 -0.41 0.07 4.52 2.03 -2.00 -1.41 116.42 119.22 1l6e h ASP 32 Ca 0.01 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1l6e h ASP 32 Cb 0.03 0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.77 1l6e h ASP 32 CO -0.07 -0.15 -0.17 0.15 -1.03 0.00 0.00 179.24 177.97 1l6e h PHE 33 N -0.04 -0.49 -1.91 4.15 3.04 0.83 0.71 116.94 123.23 1l6e h PHE 33 Ca 0.17 0.01 0.56 0.00 3.98 0.00 0.00 57.97 62.70 1l6e h PHE 33 Cb 0.30 0.21 -0.08 0.00 2.56 0.00 0.00 35.95 38.93 1l6e h PHE 33 CO -0.34 -0.20 1.37 0.00 -2.02 0.00 0.00 178.31 177.11 1l6e n ALA 34 N -2.57 1.84 -0.06 2.41 0.00 0.22 -0.21 120.51 122.14 1l6e n ALA 34 Ca -0.03 0.67 -0.02 0.00 0.00 0.00 0.00 53.44 54.06 1l6e n ALA 34 Cb 0.14 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 1l6e n ALA 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1l6e h VAL 35 N 0.00 0.00 -1.00 0.00 2.07 0.40 -2.37 116.25 115.34 1l6e h VAL 35 Ca 0.93 -1.00 0.25 0.00 0.82 0.00 0.00 66.70 67.70 1l6e h VAL 35 Cb 3.67 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 33.36 1l6e h VAL 35 CO -0.05 0.00 0.65 -0.08 0.02 0.00 0.00 177.57 178.11 1l6e h GLU 36 N -1.00 0.38 0.08 1.57 4.81 0.22 0.80 114.58 121.45 1l6e h GLU 36 Ca 0.00 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1l6e h GLU 36 Cb 0.21 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1l6e h GLU 36 CO 0.00 0.25 -0.04 -0.92 -0.73 0.00 0.00 179.01 177.57 1l6e h TYR 37 N 0.39 -0.10 -0.48 0.92 3.20 -0.73 -2.99 116.97 117.19 1l6e h TYR 37 Ca 0.55 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.45 1l6e h TYR 37 Cb 1.41 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.68 1l6e h TYR 37 CO -0.00 -0.06 0.27 0.74 -1.64 0.00 0.00 178.16 177.46 1l6e h PHE 38 N -0.64 0.50 -0.64 -3.82 0.04 -1.17 -1.04 116.94 110.16 1l6e h PHE 38 Ca -0.01 0.02 0.11 0.00 2.80 0.00 0.00 57.97 60.88 1l6e h PHE 38 Cb 0.08 -0.16 -0.08 0.00 2.20 0.00 0.00 35.95 38.00 1l6e h PHE 38 CO 0.01 0.27 0.22 1.15 -0.60 0.00 0.00 178.31 179.37 1l6e h THR 39 N 0.53 0.72 0.00 -1.55 2.02 0.46 0.31 112.91 115.41 1l6e h THR 39 Ca 0.20 -0.13 -0.08 0.00 0.77 0.00 0.00 66.41 67.16 1l6e h THR 39 Cb 0.06 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1l6e h THR 39 CO -0.11 0.07 -0.40 0.03 0.37 0.00 0.00 175.52 175.48 1l6e h ARG 40 N 0.39 0.00 0.00 6.66 3.08 -1.25 -2.67 114.38 120.58 1l6e h ARG 40 Ca 0.33 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.24 1l6e h ARG 40 Cb 0.44 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1l6e h ARG 40 CO -0.34 0.40 -0.66 -0.07 -1.07 0.00 0.00 179.97 178.23 1l6e h LEU 41 N 0.00 0.00 -0.23 3.04 3.38 0.46 -3.20 115.31 118.76 1l6e h LEU 41 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1l6e h LEU 41 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1l6e h LEU 41 CO 0.05 0.66 -0.11 -0.09 0.09 0.00 0.00 178.44 179.04 1l6e h ARG 42 N 0.00 0.47 0.00 1.13 9.65 -0.17 -2.54 114.38 122.92 1l6e h ARG 42 Ca -0.01 -0.21 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 1l6e h ARG 42 Cb 1.38 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.95 1l6e h ARG 42 CO 0.09 0.74 0.00 0.39 2.80 0.00 0.00 179.97 183.99 1l6e n GLU 43 N -4.52 0.06 0.00 0.20 4.71 -1.14 -3.65 120.64 116.29 1l6e n GLU 43 Ca -0.04 0.35 0.00 0.00 -0.01 0.00 0.00 57.16 57.46 1l6e n GLU 43 Cb 0.33 -1.62 0.00 0.00 -1.01 0.00 0.00 31.44 29.15 1l6e n GLU 43 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1l6e n ALA 44 N -1.58 -0.13 -0.16 0.62 0.00 -0.96 -4.72 120.51 113.58 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 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -1.72 0.00 0.00 0.00 5.12 -1.22 -5.14 116.66 113.70 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 0.54 -1.93 0.00 0.00 177.63 176.24