#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 n THR 11 N 0.00 1.85 0.12 8.89 -1.04 -1.26 -3.40 114.28 119.44 1q86 n THR 11 Ca 0.00 0.46 0.19 0.00 -2.04 0.00 0.00 64.05 62.66 1q86 n THR 11 Cb 0.00 -1.43 0.76 0.00 -1.82 0.00 0.00 70.33 67.84 1q86 n THR 11 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1q86 h GLY 12 N 0.30 0.00 2.00 3.41 0.00 -1.95 -0.43 103.07 106.41 1q86 h GLY 12 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1q86 h GLY 12 CO 0.00 0.00 -0.06 0.07 0.00 0.00 0.00 176.54 176.55 1q86 h ARG 13 N 0.00 0.00 0.00 4.80 0.11 -2.04 -2.58 114.38 114.67 1q86 h ARG 13 Ca 0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.24 1q86 h ARG 13 Cb 0.82 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.90 1q86 h ARG 13 CO -0.00 0.06 0.00 1.19 0.10 0.00 0.00 179.97 181.31 1q86 n PHE 14 N -3.52 0.00 -2.12 4.08 0.99 -0.17 -5.00 117.46 111.72 1q86 n PHE 14 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 1q86 n PHE 14 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.65 1q86 n PHE 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1q86 n GLY 15 N 0.54 1.95 1.96 1.37 0.00 -0.98 -1.65 105.19 108.39 1q86 n GLY 15 Ca 0.09 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 1q86 n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1q86 n PRO 16 N 13.55 3.38 -3.14 1.61 -0.04 -1.26 -4.95 135.00 144.15 1q86 n PRO 16 Ca 0.00 -2.84 -0.21 0.00 -0.04 0.00 0.00 63.50 60.41 1q86 n PRO 16 Cb 0.00 -2.15 0.01 0.00 -0.04 0.00 0.00 33.50 31.32 1q86 n PRO 16 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1q86 s ARG 17 N -2.83 3.06 0.00 0.54 0.52 -0.66 -4.63 118.95 114.95 1q86 s ARG 17 Ca 0.51 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 1q86 s ARG 17 Cb 0.41 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 33.24 1q86 s ARG 17 CO 0.12 -0.17 0.00 0.66 0.02 0.00 0.00 175.30 175.93 1q86 n TYR 18 N -1.94 0.00 0.00 -0.53 0.53 -1.26 -4.89 117.16 109.07 1q86 n TYR 18 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.89 1q86 n TYR 18 Cb 0.58 -0.13 0.00 0.00 -1.03 0.00 0.00 39.34 38.76 1q86 n TYR 18 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1q86 n GLY 19 N -1.75 -0.76 0.00 2.72 0.00 -1.26 -4.51 105.19 99.62 1q86 n GLY 19 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1q86 n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q86 n LEU 20 N -1.45 0.00 -0.32 0.99 4.77 -1.26 -2.80 117.00 116.93 1q86 n LEU 20 Ca 0.00 0.41 -0.08 0.00 -0.03 0.00 0.00 56.01 56.30 1q86 n LEU 20 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1q86 n LEU 20 CO 0.00 0.00 0.39 0.29 -1.33 0.00 0.00 177.39 176.74 1q86 n LYS 21 N -0.58 -0.34 -0.08 3.23 5.02 -1.26 -0.79 118.16 123.36 1q86 n LYS 21 Ca 0.00 1.19 -0.08 0.00 -2.02 0.00 0.00 58.31 57.40 1q86 n LYS 21 Cb 0.00 -1.76 -0.06 0.00 -0.02 0.00 0.00 35.03 33.20 1q86 n LYS 21 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1q86 h ILE 22 N 0.00 0.00 0.00 -0.18 2.04 -1.79 -1.42 117.51 116.16 1q86 h ILE 22 Ca 0.12 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.89 1q86 h ILE 22 Cb 0.31 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1q86 h ILE 22 CO -0.72 0.00 -0.46 0.08 0.00 0.00 0.00 178.15 177.05 1q86 h ARG 23 N -0.23 0.00 -0.56 2.37 0.11 -1.18 -2.58 114.38 112.30 1q86 h ARG 23 Ca 0.04 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.11 1q86 h ARG 23 Cb 0.35 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.40 1q86 h ARG 23 CO -0.35 0.46 0.32 0.28 0.10 0.00 0.00 179.97 180.78 1q86 h VAL 24 N 0.00 1.18 0.00 0.08 2.07 -0.52 -1.00 116.25 118.06 1q86 h VAL 24 Ca -0.00 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.04 1q86 h VAL 24 Cb 0.85 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1q86 h VAL 24 CO 0.06 0.19 -0.19 0.03 0.02 0.00 0.00 177.57 177.68 1q86 h ARG 25 N 0.75 0.00 -0.21 1.57 3.08 -1.10 0.27 114.38 118.74 1q86 h ARG 25 Ca 0.20 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.11 1q86 h ARG 25 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1q86 h ARG 25 CO -0.03 0.19 -0.42 0.28 -1.07 0.00 0.00 179.97 178.92 1q86 h VAL 26 N 0.00 1.32 0.12 2.04 2.07 -0.88 -0.28 116.25 120.64 1q86 h VAL 26 Ca -0.00 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 1q86 h VAL 26 Cb 0.47 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1q86 h VAL 26 CO 0.02 0.51 -0.06 0.00 0.02 0.00 0.00 177.57 178.07 1q86 h ALA 27 N 0.61 -0.17 0.02 1.67 0.00 -0.67 0.80 119.26 121.52 1q86 h ALA 27 Ca 0.01 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1q86 h ALA 27 Cb 1.02 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1q86 h ALA 27 CO 0.09 -0.46 -0.41 -0.44 0.00 0.00 0.00 179.25 178.03 1q86 h ASP 28 N -0.43 -1.24 -0.44 0.00 5.19 -0.97 0.98 116.42 119.50 1q86 h ASP 28 Ca -0.02 0.15 0.02 0.00 -0.62 0.00 0.00 57.03 56.56 1q86 h ASP 28 Cb 0.35 0.48 -0.03 0.00 0.18 0.00 0.00 39.33 40.31 1q86 h ASP 28 CO 0.03 -0.46 0.27 0.58 -3.12 0.00 0.00 179.24 176.54 1q86 h VAL 29 N -0.58 1.06 0.00 -1.35 2.07 -1.03 -2.56 116.25 113.86 1q86 h VAL 29 Ca 0.04 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1q86 h VAL 29 Cb 0.65 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1q86 h VAL 29 CO -0.30 0.10 -0.35 -0.33 0.02 0.00 0.00 177.57 176.70 1q86 h GLU 30 N 0.54 0.00 -0.01 1.57 5.08 -0.34 0.76 114.58 122.18 1q86 h GLU 30 Ca 0.17 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1q86 h GLU 30 Cb -0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1q86 h GLU 30 CO -0.07 0.35 -0.01 0.97 -1.00 0.00 0.00 179.01 179.25 1q86 h ILE 31 N 0.00 1.39 -0.54 3.13 2.10 0.13 0.27 117.51 123.99 1q86 h ILE 31 Ca -0.00 -1.17 -0.00 0.00 1.08 0.00 0.00 64.86 64.77 1q86 h ILE 31 Cb 0.87 2.16 -0.03 0.00 -1.09 0.00 0.00 36.82 38.74 1q86 h ILE 31 CO 0.05 0.31 0.34 0.11 -1.08 0.00 0.00 178.15 177.87 1q86 h LYS 32 N -0.46 0.73 -0.75 2.19 1.57 -1.44 -1.92 116.57 116.49 1q86 h LYS 32 Ca 0.00 -0.06 0.17 0.00 -1.87 0.00 0.00 60.65 58.89 1q86 h LYS 32 Cb 0.50 -0.16 -0.13 0.00 0.08 0.00 0.00 32.23 32.53 1q86 h LYS 32 CO 0.00 0.52 0.05 1.25 -0.57 0.00 0.00 179.45 180.70 1q86 h HIS 33 N 0.73 0.02 -0.38 -1.35 2.76 -0.67 -1.67 115.15 114.59 1q86 h HIS 33 Ca 0.20 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 1q86 h HIS 33 Cb -0.03 0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.03 1q86 h HIS 33 CO -0.03 -0.21 0.00 1.63 -1.30 0.00 0.00 177.93 178.02 1q86 n LYS 34 N -5.30 2.13 -0.83 5.26 5.02 0.07 -4.76 118.16 119.75 1q86 n LYS 34 Ca 0.14 -1.74 -0.29 0.00 -2.02 0.00 0.00 58.31 54.40 1q86 n LYS 34 Cb 0.48 -1.43 0.20 0.00 -0.02 0.00 0.00 35.03 34.26 1q86 n LYS 34 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1q86 s LYS 35 N -1.50 0.13 0.06 1.97 1.02 -0.63 -4.95 119.74 115.84 1q86 s LYS 35 Ca 0.35 0.91 -0.30 0.00 0.02 0.00 0.00 55.97 56.94 1q86 s LYS 35 Cb 0.19 -1.67 -0.05 0.00 -0.52 0.00 0.00 37.83 35.78 1q86 s LYS 35 CO 0.26 -3.04 1.06 0.15 -0.92 0.00 0.00 175.35 172.86 1q86 s LYS 36 N -4.68 4.55 -0.02 1.68 1.02 -1.26 -4.94 119.74 116.07 1q86 s LYS 36 Ca 0.66 1.56 0.07 0.00 0.02 0.00 0.00 55.97 58.29 1q86 s LYS 36 Cb -0.22 -3.39 -0.02 0.00 -0.52 0.00 0.00 37.83 33.68 1q86 s LYS 36 CO 0.61 -0.06 -0.25 -1.01 -0.92 0.00 0.00 175.35 173.72 1q86 s HIS 37 N 0.73 2.38 -0.39 3.18 3.76 -1.25 -4.99 115.29 118.70 1q86 s HIS 37 Ca 0.53 -0.41 -0.29 0.00 -0.15 0.00 0.00 55.06 54.74 1q86 s HIS 37 Cb -0.25 -1.52 0.02 0.00 1.11 0.00 0.00 32.58 31.94 1q86 s HIS 37 CO 0.29 -0.02 1.18 0.15 -0.85 0.00 0.00 174.74 175.50 1q86 s LYS 38 N -0.62 3.84 0.21 1.40 1.02 -1.26 -1.96 119.74 122.37 1q86 s LYS 38 Ca 0.10 0.88 -0.32 0.00 0.02 0.00 0.00 55.97 56.65 1q86 s LYS 38 Cb -0.10 -3.87 -0.14 0.00 -0.52 0.00 0.00 37.83 33.20 1q86 s LYS 38 CO -0.01 -1.22 1.41 0.00 -0.92 0.00 0.00 175.35 174.62 1q86 h PRO 40 N 4.48 0.32 0.00 0.00 0.11 -1.94 -3.36 132.00 131.60 1q86 h PRO 40 Ca -0.45 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.52 1q86 h PRO 40 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1q86 h PRO 40 CO 0.78 0.64 0.00 0.28 -0.21 0.00 0.00 178.00 179.49 1q86 n VAL 41 N -4.64 0.00 -0.16 3.15 0.31 -1.26 -4.78 118.33 110.95 1q86 n VAL 41 Ca -0.06 1.38 0.00 0.00 -0.01 0.00 0.00 64.34 65.65 1q86 n VAL 41 Cb 0.30 -2.37 0.00 0.00 -0.91 0.00 0.00 33.84 30.85 1q86 n VAL 41 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1q86 n GLY 43 N 5.00 -0.05 3.77 0.00 0.00 -1.26 -4.64 105.19 108.01 1q86 n GLY 43 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1q86 n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q86 s PHE 44 N -0.34 3.44 -1.45 1.61 0.40 -1.26 -4.55 117.98 115.82 1q86 s PHE 44 Ca 0.00 1.68 -0.12 0.00 -0.60 0.00 0.00 56.93 57.90 1q86 s PHE 44 Cb 0.00 -3.18 0.04 0.00 0.51 0.00 0.00 43.02 40.39 1q86 s PHE 44 CO 0.00 -0.52 2.33 1.63 0.70 0.00 0.00 175.22 179.35 1q86 n LYS 45 N 0.52 3.27 -2.65 0.44 5.02 -1.26 -0.65 118.16 122.85 1q86 n LYS 45 Ca 0.02 -2.74 -0.10 0.00 -2.02 0.00 0.00 58.31 53.47 1q86 n LYS 45 Cb 0.48 -3.09 0.03 0.00 -0.02 0.00 0.00 35.03 32.43 1q86 n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1q86 n LYS 46 N 4.93 1.62 -4.15 1.97 5.02 -1.01 -4.52 118.16 122.01 1q86 n LYS 46 Ca 0.56 -3.49 -0.34 0.00 -2.02 0.00 0.00 58.31 53.02 1q86 n LYS 46 Cb 0.34 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 1q86 n LYS 46 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1q86 s LEU 47 N -3.31 3.62 -0.00 -0.35 1.43 -0.83 -0.78 118.68 118.47 1q86 s LEU 47 Ca 0.30 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1q86 s LEU 47 Cb 0.43 -1.90 -0.00 0.00 0.03 0.00 0.00 46.19 44.75 1q86 s LEU 47 CO -0.00 0.18 -0.04 -0.54 0.23 0.00 0.00 176.35 176.18 1q86 s LYS 48 N 0.29 0.35 0.16 1.70 1.02 0.33 -3.83 119.74 119.76 1q86 s LYS 48 Ca 0.01 -0.14 -0.31 0.00 0.02 0.00 0.00 55.97 55.55 1q86 s LYS 48 Cb -0.13 -0.34 -0.11 0.00 -0.52 0.00 0.00 37.83 36.73 1q86 s LYS 48 CO 0.01 0.08 1.71 0.50 -0.92 0.00 0.00 175.35 176.73 1q86 s ARG 49 N -0.04 4.16 -0.01 1.68 3.52 -1.26 -1.88 118.95 125.12 1q86 s ARG 49 Ca 0.01 2.52 0.18 0.00 -0.13 0.00 0.00 55.73 58.31 1q86 s ARG 49 Cb -0.02 -3.31 -0.19 0.00 -1.56 0.00 0.00 34.95 29.86 1q86 s ARG 49 CO -0.00 -0.75 0.60 0.00 -0.81 0.00 0.00 175.30 174.34 1q86 n ALA 50 N 4.69 2.01 0.00 6.12 0.00 0.21 -4.93 120.51 128.61 1q86 n ALA 50 Ca 0.16 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1q86 n ALA 50 Cb 0.37 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1q86 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q86 n GLY 51 N 1.44 -1.32 3.49 0.00 0.00 -1.12 -4.98 105.19 102.71 1q86 n GLY 51 Ca -0.14 -0.94 -0.44 0.00 0.00 0.00 0.00 46.02 44.51 1q86 n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1q86 n THR 52 N 1.16 0.08 -0.97 2.61 -1.04 -1.26 -0.85 114.28 114.01 1q86 n THR 52 Ca 0.00 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1q86 n THR 52 Cb 0.00 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 1q86 n THR 52 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1q86 n GLY 53 N 6.35 0.91 3.53 3.41 0.00 -1.23 -4.98 105.19 113.19 1q86 n GLY 53 Ca 0.44 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.12 1q86 n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q86 s ILE 54 N -3.72 4.17 0.13 -0.61 1.01 -0.03 -1.61 121.20 120.55 1q86 s ILE 54 Ca 0.00 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.47 1q86 s ILE 54 Cb 0.00 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 1q86 s ILE 54 CO 0.00 0.47 -0.16 0.26 0.00 0.00 0.00 174.94 175.51 1q86 s TRP 55 N 0.46 1.55 0.01 3.97 0.52 -0.63 0.66 118.94 125.49 1q86 s TRP 55 Ca -0.01 -0.51 -0.15 0.00 0.02 0.00 0.00 56.10 55.45 1q86 s TRP 55 Cb -0.14 -0.80 0.02 0.00 -1.15 0.00 0.00 33.47 31.40 1q86 s TRP 55 CO 0.02 0.20 0.31 1.41 0.02 0.00 0.00 176.95 178.91 1q86 s MET 56 N -2.59 0.75 -0.34 4.98 1.75 -0.79 0.37 119.30 123.44 1q86 s MET 56 Ca 0.10 -0.34 -0.13 0.00 -1.25 0.00 0.00 55.69 54.07 1q86 s MET 56 Cb -0.06 0.33 -0.02 0.00 2.84 0.00 0.00 34.83 37.92 1q86 s MET 56 CO 0.04 -0.23 0.25 0.00 -0.65 0.00 0.00 175.02 174.43 1q86 h GLY 58 N 8.50 0.00 0.00 0.00 0.00 -1.29 1.14 103.07 111.42 1q86 h GLY 58 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1q86 h GLY 58 CO 0.63 0.00 0.00 1.57 0.00 0.00 0.00 176.54 178.74 1q86 n HIS 59 N -3.39 0.00 1.11 5.60 -0.00 -1.26 -4.39 115.22 112.90 1q86 n HIS 59 Ca -0.02 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.83 1q86 n HIS 59 Cb 0.17 -0.28 0.33 0.00 -0.00 0.00 0.00 29.99 30.21 1q86 n HIS 59 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1q86 n GLY 61 N 1.43 1.67 3.56 0.00 0.00 0.39 -4.99 105.19 107.25 1q86 n GLY 61 Ca 0.08 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.62 1q86 n GLY 61 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1q86 n TYR 62 N -2.00 1.07 -4.02 1.61 9.36 -1.25 -4.44 117.16 117.49 1q86 n TYR 62 Ca 0.00 0.74 -0.33 0.00 3.32 0.00 0.00 57.90 61.63 1q86 n TYR 62 Cb 0.00 -2.23 -0.15 0.00 -0.63 0.00 0.00 39.34 36.33 1q86 n TYR 62 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1q86 s LYS 63 N -0.62 2.31 0.38 2.98 2.20 -1.26 -0.58 119.74 125.15 1q86 s LYS 63 Ca 0.71 -1.31 0.08 0.00 -0.36 0.00 0.00 55.97 55.08 1q86 s LYS 63 Cb -0.86 -2.97 -0.02 0.00 -1.51 0.00 0.00 37.83 32.47 1q86 s LYS 63 CO 0.54 -0.58 0.37 0.96 -0.36 0.00 0.00 175.35 176.28 1q86 s ILE 64 N 1.15 3.14 -0.24 5.43 -4.36 0.16 -4.95 121.20 121.53 1q86 s ILE 64 Ca -0.08 -1.30 -0.05 0.00 -0.26 0.00 0.00 60.65 58.97 1q86 s ILE 64 Cb -0.20 -3.10 -0.01 0.00 1.25 0.00 0.00 42.46 40.40 1q86 s ILE 64 CO -0.04 -0.08 0.00 0.00 0.24 0.00 0.00 174.94 175.06 1q86 s ALA 65 N -2.37 2.93 0.00 2.27 0.00 -1.26 -1.60 121.76 121.73 1q86 s ALA 65 Ca 0.46 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1q86 s ALA 65 Cb -0.05 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1q86 s ALA 65 CO 0.28 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1q86 n GLY 66 N 4.83 5.78 0.12 0.00 0.00 -0.63 -4.99 105.19 110.29 1q86 n GLY 66 Ca -0.17 -1.59 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 1q86 n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q86 n GLY 67 N 1.30 -3.19 0.13 -0.02 0.00 0.14 -4.67 105.19 98.90 1q86 n GLY 67 Ca 0.00 -1.33 -0.22 0.00 0.00 0.00 0.00 46.02 44.47 1q86 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q86 n TYR 69 N -3.77 0.00 -3.99 0.00 4.02 -1.26 -3.60 117.16 108.56 1q86 n TYR 69 Ca -0.24 -0.12 -0.13 0.00 -0.01 0.00 0.00 57.90 57.41 1q86 n TYR 69 Cb 0.99 -0.01 -0.13 0.00 -0.02 0.00 0.00 39.34 40.16 1q86 n TYR 69 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1q86 s GLN 70 N -0.23 0.22 0.26 -0.72 -0.21 -1.26 -3.58 119.66 114.13 1q86 s GLN 70 Ca 0.00 -0.21 0.03 0.00 0.02 0.00 0.00 55.36 55.20 1q86 s GLN 70 Cb 0.00 -0.13 0.35 0.00 1.00 0.00 0.00 33.01 34.23 1q86 s GLN 70 CO 0.00 0.03 1.65 -1.00 -2.12 0.00 0.00 175.29 173.85 1q86 h PRO 71 N 5.74 0.38 -6.05 2.91 0.13 -1.93 0.41 132.00 133.59 1q86 h PRO 71 Ca -0.27 -0.19 -0.69 0.00 -0.87 0.00 0.00 66.00 63.98 1q86 h PRO 71 Cb 1.20 -0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 1q86 h PRO 71 CO 0.48 0.73 -0.87 -1.21 -0.23 0.00 0.00 178.00 176.90 1q86 s GLU 72 N -4.19 2.56 0.05 0.86 2.02 -1.26 -2.44 118.70 116.29 1q86 s GLU 72 Ca -0.06 -0.88 0.04 0.00 0.02 0.00 0.00 54.97 54.10 1q86 s GLU 72 Cb 0.13 -2.20 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 1q86 s GLU 72 CO 0.79 0.41 -0.06 0.95 0.02 0.00 0.00 175.26 177.37 1q86 s THR 73 N -0.22 3.66 0.40 3.63 -4.23 -1.26 -4.77 115.64 112.85 1q86 s THR 73 Ca -0.02 -0.94 0.23 0.00 -1.18 0.00 0.00 61.69 59.78 1q86 s THR 73 Cb -0.13 -2.66 0.41 0.00 1.34 0.00 0.00 72.50 71.47 1q86 s THR 73 CO 0.03 0.27 1.65 0.58 -0.54 0.00 0.00 174.62 176.61 1q86 h VAL 74 N 3.44 0.22 0.00 2.29 2.07 -2.00 1.48 116.25 123.75 1q86 h VAL 74 Ca -0.48 -0.07 -0.15 0.00 0.82 0.00 0.00 66.70 66.82 1q86 h VAL 74 Cb 1.17 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1q86 h VAL 74 CO 0.55 0.03 -0.72 0.00 0.02 0.00 0.00 177.57 177.45 1q86 h ALA 75 N 1.72 0.63 -0.27 1.67 0.00 -2.00 -3.03 119.26 117.97 1q86 h ALA 75 Ca 0.77 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1q86 h ALA 75 Cb 2.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1q86 h ALA 75 CO -0.49 0.90 -0.17 0.78 0.00 0.00 0.00 179.25 180.27 1q86 h GLY 76 N 2.82 0.51 1.05 0.00 0.00 0.17 -3.01 103.07 104.60 1q86 h GLY 76 Ca -0.01 -0.38 -0.17 0.00 0.00 0.00 0.00 47.33 46.78 1q86 h GLY 76 CO 0.09 0.35 -0.54 0.50 0.00 0.00 0.00 176.54 176.94 1q86 h LYS 77 N 0.43 0.73 -0.04 4.80 1.57 -1.29 -2.86 116.57 119.91 1q86 h LYS 77 Ca 0.07 -0.51 0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1q86 h LYS 77 Cb 0.55 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1q86 h LYS 77 CO 0.04 1.13 0.10 0.00 -0.57 0.00 0.00 179.45 180.15 1q86 h ALA 78 N 0.60 1.30 0.43 3.86 0.00 -1.41 -2.43 119.26 121.62 1q86 h ALA 78 Ca -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1q86 h ALA 78 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1q86 h ALA 78 CO 0.12 -0.12 -0.21 0.28 0.00 0.00 0.00 179.25 179.32 1q86 h VAL 79 N 0.00 0.44 -0.91 0.00 2.07 -1.42 -3.00 116.25 113.42 1q86 h VAL 79 Ca 0.02 -0.52 0.24 0.00 0.82 0.00 0.00 66.70 67.25 1q86 h VAL 79 Cb 0.22 0.63 -0.16 0.00 -1.52 0.00 0.00 31.29 30.46 1q86 h VAL 79 CO -0.00 0.07 0.05 0.24 0.02 0.00 0.00 177.57 177.95 1q86 h MET 80 N -0.94 0.06 0.00 1.57 2.07 -1.49 -2.96 114.93 113.25 1q86 h MET 80 Ca -0.06 -0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.57 1q86 h MET 80 Cb 0.57 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.28 1q86 h MET 80 CO 0.10 0.04 0.00 1.63 1.07 0.00 0.00 176.91 179.75 1q86 n LYS 81 N -5.42 0.00 0.00 1.72 5.02 -1.22 -5.17 118.16 113.09 1q86 n LYS 81 Ca 0.20 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1q86 n LYS 81 Cb 0.67 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 1q86 n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88