#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oka s LYS 5 N 0.00 1.39 0.24 0.00 1.02 -1.26 -4.91 119.74 116.21 2oka s LYS 5 Ca 0.00 1.64 -0.31 0.00 0.02 0.00 0.00 55.97 57.32 2oka s LYS 5 Cb 0.00 -1.76 -0.14 0.00 -0.52 0.00 0.00 37.83 35.41 2oka s LYS 5 CO 0.00 -2.38 1.25 -2.30 -0.92 0.00 0.00 175.35 171.00 2oka n PRO 6 N -3.73 1.64 -4.25 -1.68 -0.02 -1.26 -4.05 135.00 121.65 2oka n PRO 6 Ca 0.13 0.58 -0.34 0.00 -2.02 0.00 0.00 63.50 61.85 2oka n PRO 6 Cb 0.51 -2.13 -0.12 0.00 -0.02 0.00 0.00 33.50 31.74 2oka n PRO 6 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2oka s GLU 7 N -0.74 3.69 -0.16 -0.52 2.12 -1.26 -0.77 118.70 121.05 2oka s GLU 7 Ca 0.67 -0.50 -0.07 0.00 0.36 0.00 0.00 54.97 55.43 2oka s GLU 7 Cb -0.71 -3.00 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 2oka s GLU 7 CO 0.53 0.18 0.06 0.42 -0.54 0.00 0.00 175.26 175.91 2oka s ILE 8 N 0.56 4.74 -0.12 -3.70 -1.09 -0.55 -0.44 121.20 120.60 2oka s ILE 8 Ca -0.02 -0.06 0.02 0.00 -2.23 0.00 0.00 60.65 58.37 2oka s ILE 8 Cb -0.14 -3.11 0.01 0.00 -1.58 0.00 0.00 42.46 37.64 2oka s ILE 8 CO 0.02 0.49 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.36 2oka s VAL 9 N 0.10 1.73 -0.31 2.92 1.01 -0.25 0.19 120.40 125.79 2oka s VAL 9 Ca 0.05 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 2oka s VAL 9 Cb -0.12 -1.55 0.04 0.00 0.00 0.00 0.00 36.38 34.75 2oka s VAL 9 CO 0.01 0.49 0.03 -0.63 0.00 0.00 0.00 175.10 175.00 2oka s ILE 10 N 0.89 3.29 -0.26 2.22 1.01 0.85 -1.11 121.20 128.09 2oka s ILE 10 Ca -0.07 -1.26 -0.13 0.00 0.00 0.00 0.00 60.65 59.19 2oka s ILE 10 Cb -0.15 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 2oka s ILE 10 CO -0.01 -0.11 0.29 -0.89 0.00 0.00 0.00 174.94 174.22 2oka s THR 11 N 1.32 5.24 0.06 2.92 2.01 0.33 -0.10 115.64 127.42 2oka s THR 11 Ca -0.04 0.42 0.05 0.00 0.31 0.00 0.00 61.69 62.43 2oka s THR 11 Cb -0.19 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 2oka s THR 11 CO 0.00 0.22 -0.15 -0.72 -0.69 0.00 0.00 174.62 173.29 2oka s TYR 12 N 1.77 1.26 -0.28 4.92 1.13 -0.82 -1.31 117.35 124.00 2oka s TYR 12 Ca 0.12 -0.41 -0.29 0.00 -1.41 0.00 0.00 57.07 55.08 2oka s TYR 12 Cb -0.15 -0.72 -0.00 0.00 -1.10 0.00 0.00 41.96 39.98 2oka s TYR 12 CO 0.09 0.05 1.31 0.00 -2.51 0.00 0.00 175.55 174.50 2oka h THR 14 N 5.92 1.31 0.00 0.00 1.35 -1.81 -2.96 112.91 116.72 2oka h THR 14 Ca -0.26 -1.48 -0.04 0.00 -0.55 0.00 0.00 66.41 64.08 2oka h THR 14 Cb 1.10 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 69.15 2oka h THR 14 CO 1.03 0.47 -0.20 1.56 -0.25 0.00 0.00 175.52 178.13 2oka h GLN 15 N 0.41 0.00 0.00 4.72 1.08 -1.92 -1.64 115.11 117.77 2oka h GLN 15 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2oka h GLN 15 Cb 0.88 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 2oka h GLN 15 CO 0.07 0.20 0.00 0.00 -0.95 0.00 0.00 178.83 178.15 2oka n GLN 17 N -1.27 -5.27 -0.27 0.00 1.13 -0.62 -4.93 117.38 106.16 2oka n GLN 17 Ca 0.11 0.55 0.11 0.00 -1.94 0.00 0.00 57.00 55.83 2oka n GLN 17 Cb 0.17 -4.74 0.27 0.00 0.11 0.00 0.00 30.24 26.05 2oka n GLN 17 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 2oka n TRP 18 N -4.16 0.71 -0.09 1.08 8.01 -1.13 -4.31 117.44 117.55 2oka n TRP 18 Ca 0.01 -0.35 -0.08 0.00 -1.31 0.00 0.00 57.50 55.76 2oka n TRP 18 Cb 0.54 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.84 2oka n TRP 18 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 2oka h LEU 19 N 3.83 0.26 0.03 -0.99 5.85 -1.88 -1.38 115.31 121.03 2oka h LEU 19 Ca 0.00 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.75 2oka h LEU 19 Cb 0.86 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 2oka h LEU 19 CO 0.00 0.19 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.77 2oka h LEU 20 N 0.35 -1.41 -1.74 2.25 4.07 -1.99 0.26 115.31 117.10 2oka h LEU 20 Ca 0.13 0.16 -0.03 0.00 0.08 0.00 0.00 57.88 58.21 2oka h LEU 20 Cb 0.03 0.53 -0.00 0.00 1.08 0.00 0.00 40.66 42.29 2oka h LEU 20 CO -0.08 -0.46 -0.15 0.08 -1.08 0.00 0.00 178.44 176.75 2oka h ARG 21 N -0.59 0.00 -0.23 1.13 0.11 -1.83 -0.40 114.38 112.57 2oka h ARG 21 Ca 0.01 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 2oka h ARG 21 Cb 0.63 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.70 2oka h ARG 21 CO -0.29 0.15 -0.30 0.00 0.10 0.00 0.00 179.97 179.63 2oka h ALA 22 N 1.85 0.34 -0.08 0.08 0.00 -0.34 -1.85 119.26 119.26 2oka h ALA 22 Ca -0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 2oka h ALA 22 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2oka h ALA 22 CO 0.02 0.36 -0.41 0.00 0.00 0.00 0.00 179.25 179.22 2oka h ALA 23 N 0.64 1.16 0.08 0.00 0.00 -0.09 -1.46 119.26 119.59 2oka h ALA 23 Ca 0.03 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2oka h ALA 23 Cb 0.87 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2oka h ALA 23 CO 0.07 0.57 -0.04 2.35 0.00 0.00 0.00 179.25 182.21 2oka h TRP 24 N 0.15 -0.09 -0.38 0.00 7.01 -0.96 -1.73 115.95 119.94 2oka h TRP 24 Ca 0.01 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 2oka h TRP 24 Cb 0.79 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.86 2oka h TRP 24 CO 0.01 0.15 0.08 -0.07 -2.79 0.00 0.00 178.44 175.82 2oka h LEU 25 N -0.33 0.53 -0.46 0.65 3.38 -1.23 -0.41 115.31 117.43 2oka h LEU 25 Ca -0.01 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2oka h LEU 25 Cb 0.29 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2oka h LEU 25 CO 0.02 0.55 0.21 0.00 0.09 0.00 0.00 178.44 179.30 2oka h ALA 26 N 1.53 0.60 -0.43 1.53 0.00 -1.13 -1.26 119.26 120.11 2oka h ALA 26 Ca 0.13 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2oka h ALA 26 Cb 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2oka h ALA 26 CO -0.00 0.18 -0.20 1.96 0.00 0.00 0.00 179.25 181.20 2oka h GLN 27 N 0.61 0.84 -0.71 0.00 4.20 -0.87 -0.24 115.11 118.93 2oka h GLN 27 Ca 0.16 -0.33 0.04 0.00 0.06 0.00 0.00 58.65 58.57 2oka h GLN 27 Cb 0.15 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 2oka h GLN 27 CO -0.02 0.97 0.44 0.93 -0.67 0.00 0.00 178.83 180.48 2oka h GLU 28 N 0.74 0.81 -0.13 1.46 4.39 -0.73 -1.46 114.58 119.65 2oka h GLU 28 Ca 0.11 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 2oka h GLU 28 Cb 0.72 -0.18 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2oka h GLU 28 CO 0.06 0.54 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.22 2oka h LEU 29 N 0.83 0.36 -1.97 1.33 3.38 -0.95 -3.05 115.31 115.25 2oka h LEU 29 Ca 0.30 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2oka h LEU 29 Cb 0.08 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2oka h LEU 29 CO -0.13 0.79 -0.10 -0.07 0.09 0.00 0.00 178.44 179.01 2oka h LEU 30 N -0.05 0.00 0.00 1.67 3.38 -0.86 -0.62 115.31 118.84 2oka h LEU 30 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 2oka h LEU 30 Cb 0.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2oka h LEU 30 CO 0.04 0.10 -1.12 0.77 0.09 0.00 0.00 178.44 178.32 2oka h SER 31 N 0.00 0.00 0.22 -0.43 4.64 -1.29 -2.74 113.55 113.95 2oka h SER 31 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2oka h SER 31 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2oka h SER 31 CO 0.01 0.50 -1.60 0.35 -0.87 0.00 0.00 176.83 175.23 2oka n THR 32 N -2.96 0.12 -1.91 2.95 -2.24 -1.06 -4.37 114.28 104.80 2oka n THR 32 Ca -0.05 -0.42 -0.01 0.00 -2.27 0.00 0.00 64.05 61.29 2oka n THR 32 Cb 0.78 0.09 0.13 0.00 -2.10 0.00 0.00 70.33 69.23 2oka n THR 32 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2oka n PHE 33 N -2.20 0.70 -0.30 4.78 3.72 -0.26 -4.88 117.46 119.02 2oka n PHE 33 Ca -0.02 -1.55 0.14 0.00 -0.05 0.00 0.00 57.45 55.97 2oka n PHE 33 Cb 0.52 -0.25 0.31 0.00 -0.94 0.00 0.00 39.48 39.12 2oka n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2oka h ALA 34 N 1.37 1.42 0.00 4.37 0.00 -1.68 -1.85 119.26 122.89 2oka h ALA 34 Ca 0.04 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 2oka h ALA 34 Cb 1.28 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 2oka h ALA 34 CO 0.20 -0.40 -0.90 -0.44 0.00 0.00 0.00 179.25 177.71 2oka h ASP 35 N 0.34 0.00 0.11 0.00 3.32 -1.89 -3.36 116.42 114.93 2oka h ASP 35 Ca 0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.62 2oka h ASP 35 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2oka h ASP 35 CO -0.57 0.67 -0.34 0.47 -1.72 0.00 0.00 179.24 177.75 2oka n ASP 36 N -3.17 1.52 -4.57 6.45 8.00 -0.76 -4.92 116.55 119.10 2oka n ASP 36 Ca -0.02 -1.21 -0.34 0.00 0.71 0.00 0.00 54.79 53.93 2oka n ASP 36 Cb 0.83 0.28 -0.11 0.00 -0.02 0.00 0.00 41.12 42.10 2oka n ASP 36 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2oka s LEU 37 N -2.47 3.30 -0.04 0.64 1.02 -0.82 -4.26 118.68 116.06 2oka s LEU 37 Ca 0.22 -0.02 -0.21 0.00 0.02 0.00 0.00 54.13 54.14 2oka s LEU 37 Cb 0.19 -1.76 -0.14 0.00 0.02 0.00 0.00 46.19 44.50 2oka s LEU 37 CO 0.53 0.29 0.90 1.23 0.02 0.00 0.00 176.35 179.32 2oka h GLY 38 N 5.82 -0.34 -4.61 -3.19 0.00 -1.09 -3.47 103.07 96.19 2oka h GLY 38 Ca -0.42 0.12 0.11 0.00 0.00 0.00 0.00 47.33 47.15 2oka h GLY 38 CO 0.57 -0.12 0.62 -1.59 0.00 0.00 0.00 176.54 176.02 2oka s LYS 39 N -3.65 0.48 -0.20 4.80 -2.85 -1.23 -5.01 119.74 112.09 2oka s LYS 39 Ca -0.12 0.14 -0.04 0.00 -1.00 0.00 0.00 55.97 54.95 2oka s LYS 39 Cb 0.01 0.23 -0.02 0.00 -2.06 0.00 0.00 37.83 35.99 2oka s LYS 39 CO 0.44 -0.15 -0.04 0.08 0.10 0.00 0.00 175.35 175.79 2oka s VAL 40 N -1.00 3.57 -0.02 1.79 1.01 -1.26 -1.48 120.40 123.00 2oka s VAL 40 Ca 0.01 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.57 2oka s VAL 40 Cb -0.01 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 2oka s VAL 40 CO -0.01 0.44 -0.07 0.00 0.00 0.00 0.00 175.10 175.46 2oka s LEU 42 N -1.21 3.46 -0.26 0.00 1.43 -1.26 -0.10 118.68 120.73 2oka s LEU 42 Ca 0.15 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 2oka s LEU 42 Cb -0.11 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.25 2oka s LEU 42 CO 0.05 0.00 -0.10 -0.70 0.23 0.00 0.00 176.35 175.84 2oka s GLU 43 N 1.40 2.25 0.30 1.70 2.12 0.86 -4.95 118.70 122.39 2oka s GLU 43 Ca 0.05 -1.34 -0.30 0.00 0.36 0.00 0.00 54.97 53.74 2oka s GLU 43 Cb -0.15 -2.92 -0.12 0.00 0.26 0.00 0.00 34.13 31.21 2oka s GLU 43 CO 0.03 -0.58 1.51 -0.35 -0.54 0.00 0.00 175.26 175.34 2oka n PRO 44 N 4.45 2.52 -0.62 4.30 -0.04 -1.26 -1.94 135.00 142.40 2oka n PRO 44 Ca -0.14 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 2oka n PRO 44 Cb 0.42 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 2oka n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oka n GLY 45 N 1.70 5.13 3.34 0.55 0.00 0.31 -4.80 105.19 111.42 2oka n GLY 45 Ca 0.07 -1.59 -0.14 0.00 0.00 0.00 0.00 46.02 44.36 2oka n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2oka n THR 46 N 0.00 0.00 -3.71 2.61 -2.24 -1.26 -2.22 114.28 107.46 2oka n THR 46 Ca 0.00 -1.76 -0.24 0.00 -2.27 0.00 0.00 64.05 59.78 2oka n THR 46 Cb 0.00 1.09 0.03 0.00 -2.10 0.00 0.00 70.33 69.34 2oka n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oka n GLY 47 N -0.57 -0.52 2.54 3.38 0.00 -1.26 -2.55 105.19 106.20 2oka n GLY 47 Ca 0.01 0.25 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 2oka n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oka n GLY 48 N -1.66 1.27 3.75 -0.02 0.00 -1.26 -4.95 105.19 102.32 2oka n GLY 48 Ca -0.23 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 2oka n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oka s VAL 49 N -2.84 3.74 -0.38 1.61 0.11 -1.06 -4.90 120.40 116.68 2oka s VAL 49 Ca 0.00 1.66 0.05 0.00 -2.93 0.00 0.00 61.98 60.76 2oka s VAL 49 Cb 0.00 -4.06 0.16 0.00 -1.53 0.00 0.00 36.38 30.96 2oka s VAL 49 CO 0.00 0.36 0.47 0.12 -3.33 0.00 0.00 175.10 172.72 2oka s PHE 50 N -0.85 -0.83 0.06 1.54 5.36 -1.24 -1.38 117.98 120.65 2oka s PHE 50 Ca 0.45 -0.40 0.08 0.00 -0.96 0.00 0.00 56.93 56.11 2oka s PHE 50 Cb -0.30 -0.14 -0.03 0.00 -0.34 0.00 0.00 43.02 42.21 2oka s PHE 50 CO 0.37 -1.04 -0.23 0.50 -1.46 0.00 0.00 175.22 173.35 2oka s ARG 51 N 1.62 1.48 -0.06 10.12 3.52 -0.43 -1.04 118.95 134.16 2oka s ARG 51 Ca 0.16 -1.07 0.01 0.00 -0.13 0.00 0.00 55.73 54.70 2oka s ARG 51 Cb -0.11 -1.68 0.02 0.00 -1.56 0.00 0.00 34.95 31.62 2oka s ARG 51 CO -0.06 0.42 -0.05 0.42 -0.81 0.00 0.00 175.30 175.23 2oka s ILE 52 N -0.88 0.60 0.14 4.11 1.01 0.29 -0.51 121.20 125.96 2oka s ILE 52 Ca 0.09 -0.13 0.09 0.00 0.00 0.00 0.00 60.65 60.71 2oka s ILE 52 Cb -0.09 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 2oka s ILE 52 CO 0.03 0.25 -0.22 0.42 0.00 0.00 0.00 174.94 175.42 2oka s THR 53 N 1.12 1.98 -0.22 2.92 -4.23 -0.27 0.63 115.64 117.57 2oka s THR 53 Ca -0.08 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 58.65 2oka s THR 53 Cb -0.14 -1.84 0.05 0.00 1.34 0.00 0.00 72.50 71.92 2oka s THR 53 CO -0.01 -0.12 -0.08 0.00 -0.54 0.00 0.00 174.62 173.87 2oka n ASP 55 N 4.66 -3.74 0.00 0.00 8.00 0.42 -1.00 116.55 124.89 2oka n ASP 55 Ca -0.13 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.50 2oka n ASP 55 Cb 0.45 -3.53 0.00 0.00 -0.02 0.00 0.00 41.12 38.02 2oka n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2oka n GLY 56 N -1.63 3.15 3.67 0.44 0.00 -1.26 -5.01 105.19 104.55 2oka n GLY 56 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2oka n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oka s VAL 57 N -1.77 4.94 0.10 1.61 1.01 -0.17 -4.97 120.40 121.15 2oka s VAL 57 Ca 0.00 1.43 -0.31 0.00 0.00 0.00 0.00 61.98 63.10 2oka s VAL 57 Cb 0.00 -4.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.23 2oka s VAL 57 CO 0.00 0.06 1.81 -1.58 0.00 0.00 0.00 175.10 175.40 2oka s GLN 58 N 2.04 4.15 -0.00 2.72 0.74 -1.26 -0.11 119.66 127.93 2oka s GLN 58 Ca 0.34 2.54 0.10 0.00 0.05 0.00 0.00 55.36 58.39 2oka s GLN 58 Cb -0.16 -3.68 -0.12 0.00 1.10 0.00 0.00 33.01 30.15 2oka s GLN 58 CO 0.11 -0.84 0.42 0.28 -0.55 0.00 0.00 175.29 174.72 2oka n VAL 59 N 4.86 0.00 -3.61 1.34 0.31 0.20 -4.90 118.33 116.53 2oka n VAL 59 Ca 0.18 -0.26 -0.09 0.00 -0.01 0.00 0.00 64.34 64.16 2oka n VAL 59 Cb 0.39 0.95 -0.06 0.00 -0.91 0.00 0.00 33.84 34.21 2oka n VAL 59 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 2oka s TRP 60 N -2.03 -0.36 -0.20 3.52 -0.11 -0.97 -4.95 118.94 113.85 2oka s TRP 60 Ca 0.03 0.76 -0.08 0.00 1.22 0.00 0.00 56.10 58.03 2oka s TRP 60 Cb 0.08 0.42 0.08 0.00 -1.50 0.00 0.00 33.47 32.55 2oka s TRP 60 CO 0.42 -0.24 0.44 -2.00 -4.62 0.00 0.00 176.95 170.95 2oka s GLU 61 N -0.44 0.37 0.11 5.86 -6.30 -1.26 -0.54 118.70 116.51 2oka s GLU 61 Ca 0.02 0.97 -0.22 0.00 -2.50 0.00 0.00 54.97 53.24 2oka s GLU 61 Cb -0.03 0.21 -0.05 0.00 0.00 0.00 0.00 34.13 34.26 2oka s GLU 61 CO -0.04 -0.21 1.25 -2.13 0.02 0.00 0.00 175.26 174.15 2oka n ARG 62 N 4.93 -0.31 0.28 4.30 0.63 -0.20 -0.86 116.66 125.43 2oka n ARG 62 Ca -0.15 1.23 -0.16 0.00 -0.92 0.00 0.00 57.85 57.85 2oka n ARG 62 Cb 0.52 -1.81 -0.08 0.00 0.45 0.00 0.00 32.46 31.53 2oka n ARG 62 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2oka h LYS 63 N 0.00 -0.65 -0.38 -0.14 1.57 -1.88 0.34 116.57 115.43 2oka h LYS 63 Ca 0.11 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.01 2oka h LYS 63 Cb 0.29 0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.68 2oka h LYS 63 CO -0.66 -0.40 -0.06 0.00 -0.57 0.00 0.00 179.45 177.76 2oka h ALA 64 N -0.28 0.29 -0.13 3.86 0.00 -1.87 -2.18 119.26 118.96 2oka h ALA 64 Ca -0.07 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2oka h ALA 64 Cb 0.55 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2oka h ALA 64 CO 0.11 -0.44 0.00 -0.25 0.00 0.00 0.00 179.25 178.68 2oka n ASP 65 N -5.26 1.94 -2.92 0.00 8.00 -0.04 -5.00 116.55 113.28 2oka n ASP 65 Ca 0.02 -1.70 -0.05 0.00 0.71 0.00 0.00 54.79 53.77 2oka n ASP 65 Cb 0.21 -0.08 0.02 0.00 -0.02 0.00 0.00 41.12 41.25 2oka n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2oka n GLY 66 N 1.21 -1.04 0.00 0.44 0.00 0.93 -4.87 105.19 101.86 2oka n GLY 66 Ca 0.17 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.61 2oka n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oka n GLY 67 N -1.52 0.12 3.58 -0.02 0.00 0.31 -5.02 105.19 102.64 2oka n GLY 67 Ca -0.02 -2.01 -0.33 0.00 0.00 0.00 0.00 46.02 43.66 2oka n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2oka s PHE 68 N 0.00 2.89 0.52 1.61 0.40 -1.26 -4.24 117.98 117.89 2oka s PHE 68 Ca 0.00 -0.03 -0.21 0.00 -0.60 0.00 0.00 56.93 56.09 2oka s PHE 68 Cb 0.00 -1.64 -0.06 0.00 0.51 0.00 0.00 43.02 41.83 2oka s PHE 68 CO 0.00 0.35 1.15 -1.25 0.70 0.00 0.00 175.22 176.17 2oka s PRO 69 N -1.19 3.48 0.35 0.24 0.04 -1.26 -5.04 135.00 131.62 2oka s PRO 69 Ca 0.15 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 62.72 2oka s PRO 69 Cb -0.11 -2.15 -0.10 0.00 0.04 0.00 0.00 34.50 32.18 2oka s PRO 69 CO 0.05 -0.77 0.80 -1.21 0.04 0.00 0.00 177.00 175.92 2oka s GLU 70 N -3.06 4.10 0.19 4.56 0.41 -1.26 -4.92 118.70 118.72 2oka s GLU 70 Ca 0.70 0.83 -0.12 0.00 -0.41 0.00 0.00 54.97 55.97 2oka s GLU 70 Cb -0.26 -2.39 0.20 0.00 -1.78 0.00 0.00 34.13 29.90 2oka s GLU 70 CO 0.30 0.12 1.73 0.00 -0.49 0.00 0.00 175.26 176.92 2oka h ALA 71 N 2.24 0.60 -0.17 5.21 0.00 -1.99 -1.60 119.26 123.55 2oka h ALA 71 Ca -0.48 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.55 2oka h ALA 71 Cb 1.18 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2oka h ALA 71 CO 0.64 -0.28 -0.02 -0.22 0.00 0.00 0.00 179.25 179.38 2oka h LYS 72 N 0.28 0.03 -0.51 0.00 3.64 -1.99 -0.48 116.57 117.55 2oka h LYS 72 Ca 0.26 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.67 2oka h LYS 72 Cb 0.33 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 2oka h LYS 72 CO -0.31 0.02 0.27 0.00 -2.27 0.00 0.00 179.45 177.16 2oka h ALA 73 N 1.16 0.65 -0.58 5.00 0.00 -1.82 -0.74 119.26 122.92 2oka h ALA 73 Ca 0.08 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2oka h ALA 73 Cb 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2oka h ALA 73 CO -0.15 -0.06 0.02 1.25 0.00 0.00 0.00 179.25 180.30 2oka h LEU 74 N 0.53 0.97 -0.81 0.00 5.85 -0.98 -2.30 115.31 118.57 2oka h LEU 74 Ca 0.22 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 2oka h LEU 74 Cb 0.10 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2oka h LEU 74 CO -0.14 1.01 0.06 0.11 -0.34 0.00 0.00 178.44 179.15 2oka h LYS 75 N 0.92 0.96 -0.63 1.25 1.57 -0.64 -1.78 116.57 118.21 2oka h LYS 75 Ca 0.17 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2oka h LYS 75 Cb 0.51 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 2oka h LYS 75 CO 0.02 0.91 0.32 1.96 -0.57 0.00 0.00 179.45 182.09 2oka h GLN 76 N 0.90 0.90 -0.12 3.15 4.20 -0.88 0.27 115.11 123.52 2oka h GLN 76 Ca 0.18 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 2oka h GLN 76 Cb 0.44 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2oka h GLN 76 CO 0.01 0.70 -0.40 0.00 -0.67 0.00 0.00 178.83 178.48 2oka h ARG 77 N 0.86 0.27 0.06 1.46 3.08 -1.14 -0.82 114.38 118.16 2oka h ARG 77 Ca 0.22 -0.12 -0.25 0.00 0.07 0.00 0.00 59.98 59.90 2oka h ARG 77 Cb 0.09 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2oka h ARG 77 CO -0.03 0.63 -1.07 0.28 -1.07 0.00 0.00 179.97 178.70 2oka h VAL 78 N 0.23 1.44 0.04 2.04 2.07 -0.99 -3.18 116.25 117.90 2oka h VAL 78 Ca 0.02 -2.71 -0.00 0.00 0.82 0.00 0.00 66.70 64.83 2oka h VAL 78 Cb 0.80 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 2oka h VAL 78 CO 0.06 0.80 -0.02 -0.09 0.02 0.00 0.00 177.57 178.34 2oka h ARG 79 N 0.16 -0.05 -0.69 1.57 1.12 -0.20 -0.06 114.38 116.23 2oka h ARG 79 Ca -0.10 0.00 0.17 0.00 -1.11 0.00 0.00 59.98 58.94 2oka h ARG 79 Cb 1.75 0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 31.68 2oka h ARG 79 CO 0.18 -0.02 0.48 -0.44 -3.11 0.00 0.00 179.97 177.06 2oka h ASP 80 N -0.07 0.15 0.52 -3.80 3.32 -1.20 0.42 116.42 115.77 2oka h ASP 80 Ca -0.01 0.01 -0.20 0.00 0.02 0.00 0.00 57.03 56.86 2oka h ASP 80 Cb 0.06 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 2oka h ASP 80 CO 0.01 0.07 -1.64 0.54 -1.72 0.00 0.00 179.24 176.51 2oka n ARG 81 N -4.40 0.63 -0.09 3.56 1.74 -1.01 -3.85 116.66 113.24 2oka n ARG 81 Ca 0.13 0.17 -0.08 0.00 -0.77 0.00 0.00 57.85 57.30 2oka n ARG 81 Cb 0.65 -1.74 -0.15 0.00 -1.02 0.00 0.00 32.46 30.20 2oka n ARG 81 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2oka n ILE 82 N -2.84 1.19 -2.81 0.55 -0.00 -0.07 -4.79 119.36 110.59 2oka n ILE 82 Ca -0.13 -0.77 -0.09 0.00 -0.00 0.00 0.00 62.75 61.76 2oka n ILE 82 Cb 0.89 -0.46 0.02 0.00 -0.00 0.00 0.00 39.64 40.10 2oka n ILE 82 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2oka n ASP 83 N -2.66 -2.76 -0.28 4.38 -0.08 0.14 -5.04 116.55 110.25 2oka n ASP 83 Ca -0.29 -3.12 0.00 0.00 -1.51 0.00 0.00 54.79 49.88 2oka n ASP 83 Cb 1.07 1.55 0.04 0.00 2.34 0.00 0.00 41.12 46.12 2oka n ASP 83 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2oka n PRO 84 N 2.05 -0.16 -3.13 -0.67 -0.02 -1.04 -3.63 135.00 128.42 2oka n PRO 84 Ca 0.13 1.15 -0.44 0.00 -2.02 0.00 0.00 63.50 62.33 2oka n PRO 84 Cb 0.60 -1.71 -0.06 0.00 -0.02 0.00 0.00 33.50 32.31 2oka n PRO 84 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2oka s GLN 85 N -5.75 3.15 -0.30 -0.52 -2.07 -1.26 -4.69 119.66 108.23 2oka s GLN 85 Ca -0.10 -0.80 -0.21 0.00 -1.82 0.00 0.00 55.36 52.42 2oka s GLN 85 Cb 0.16 -4.08 0.21 0.00 -1.09 0.00 0.00 33.01 28.20 2oka s GLN 85 CO 0.54 -1.23 1.39 0.50 -1.32 0.00 0.00 175.29 175.17 2oka s ARG 86 N 2.76 0.02 0.00 9.60 3.00 -1.24 -5.15 118.95 127.94 2oka s ARG 86 Ca 0.17 0.02 0.26 0.00 -1.00 0.00 0.00 55.73 55.18 2oka s ARG 86 Cb -0.18 0.01 0.54 0.00 0.00 0.00 0.00 34.95 35.32 2oka s ARG 86 CO 0.13 -0.00 1.46 -0.25 0.00 0.00 0.00 175.30 176.64