#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 2.98 0.28 0.00 1.02 -1.26 -4.94 119.74 117.82 2oka s LYS 5 Ca 0.00 1.30 -0.30 0.00 0.02 0.00 0.00 55.97 56.99 2oka s LYS 5 Cb 0.00 -1.98 -0.13 0.00 -0.52 0.00 0.00 37.83 35.20 2oka s LYS 5 CO 0.00 -1.10 1.32 -2.30 -0.92 0.00 0.00 175.35 172.36 2oka n PRO 6 N -2.33 2.00 -4.32 -1.68 -0.02 -1.26 -4.11 135.00 123.27 2oka n PRO 6 Ca 0.10 0.71 -0.34 0.00 -2.02 0.00 0.00 63.50 61.94 2oka n PRO 6 Cb 0.52 -2.31 -0.12 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.10 3.70 -0.14 -0.52 2.12 -1.26 -0.70 118.70 120.79 2oka s GLU 7 Ca 0.62 -0.50 -0.05 0.00 0.36 0.00 0.00 54.97 55.40 2oka s GLU 7 Cb -0.62 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 2oka s GLU 7 CO 0.56 0.22 0.05 0.42 -0.54 0.00 0.00 175.26 175.97 2oka s ILE 8 N 0.43 4.70 -0.10 -3.70 -1.09 -0.56 -0.39 121.20 120.48 2oka s ILE 8 Ca -0.03 -0.08 0.02 0.00 -2.23 0.00 0.00 60.65 58.33 2oka s ILE 8 Cb -0.14 -3.06 0.01 0.00 -1.58 0.00 0.00 42.46 37.69 2oka s ILE 8 CO 0.03 0.53 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.43 2oka s VAL 9 N -0.25 1.46 -0.32 2.92 1.01 -0.24 -0.09 120.40 124.89 2oka s VAL 9 Ca 0.08 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 2oka s VAL 9 Cb -0.12 -1.34 0.06 0.00 0.00 0.00 0.00 36.38 34.98 2oka s VAL 9 CO 0.02 0.43 0.05 -0.63 0.00 0.00 0.00 175.10 174.97 2oka s ILE 10 N 0.95 3.20 -0.30 2.22 1.01 0.77 -1.10 121.20 127.96 2oka s ILE 10 Ca -0.07 -1.42 -0.13 0.00 0.00 0.00 0.00 60.65 59.02 2oka s ILE 10 Cb -0.15 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 2oka s ILE 10 CO -0.01 -0.21 0.28 -0.89 0.00 0.00 0.00 174.94 174.12 2oka s THR 11 N 1.27 5.24 0.12 2.92 2.01 0.05 0.04 115.64 127.29 2oka s THR 11 Ca -0.03 0.15 0.07 0.00 0.31 0.00 0.00 61.69 62.20 2oka s THR 11 Cb -0.20 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 2oka s THR 11 CO -0.01 0.10 -0.17 -0.72 -0.69 0.00 0.00 174.62 173.13 2oka s TYR 12 N 1.88 1.61 -0.23 4.92 1.13 -0.80 -1.45 117.35 124.41 2oka s TYR 12 Ca 0.10 -0.48 -0.29 0.00 -1.41 0.00 0.00 57.07 54.99 2oka s TYR 12 Cb -0.16 -0.85 -0.01 0.00 -1.10 0.00 0.00 41.96 39.84 2oka s TYR 12 CO 0.11 0.20 1.28 0.00 -2.51 0.00 0.00 175.55 174.62 2oka h THR 14 N 5.70 1.31 0.00 0.00 1.35 -1.79 -3.00 112.91 116.48 2oka h THR 14 Ca -0.26 -1.67 -0.04 0.00 -0.55 0.00 0.00 66.41 63.89 2oka h THR 14 Cb 1.10 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 69.33 2oka h THR 14 CO 1.00 0.52 -0.21 1.56 -0.25 0.00 0.00 175.52 178.15 2oka h GLN 15 N 0.39 0.00 0.00 4.72 1.08 -1.92 -1.68 115.11 117.70 2oka h GLN 15 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2oka h GLN 15 Cb 1.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 2oka h GLN 15 CO 0.10 0.21 0.00 0.00 -0.95 0.00 0.00 178.83 178.19 2oka n GLN 17 N -1.21 -5.26 -0.31 0.00 1.13 -0.63 -4.93 117.38 106.16 2oka n GLN 17 Ca 0.12 0.55 0.11 0.00 -1.94 0.00 0.00 57.00 55.85 2oka n GLN 17 Cb 0.15 -4.75 0.29 0.00 0.11 0.00 0.00 30.24 26.04 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 -4.10 0.82 -0.12 1.08 8.01 -1.14 -4.34 117.44 117.65 2oka n TRP 18 Ca -0.01 -0.41 -0.07 0.00 -1.31 0.00 0.00 57.50 55.70 2oka n TRP 18 Cb 0.54 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 29.86 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 4.15 0.31 0.07 -0.99 5.85 -1.88 -1.36 115.31 121.46 2oka h LEU 19 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.75 2oka h LEU 19 Cb 0.94 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 2oka h LEU 19 CO 0.00 0.23 -0.51 -0.07 -0.34 0.00 0.00 178.44 177.75 2oka h LEU 20 N 0.42 -1.56 -1.62 2.25 4.07 -1.99 0.15 115.31 117.03 2oka h LEU 20 Ca 0.16 0.17 -0.04 0.00 0.08 0.00 0.00 57.88 58.24 2oka h LEU 20 Cb 0.04 0.58 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 2oka h LEU 20 CO -0.09 -0.52 -0.20 0.08 -1.08 0.00 0.00 178.44 176.62 2oka h ARG 21 N -0.70 0.00 -0.31 1.13 0.11 -1.83 -0.70 114.38 112.08 2oka h ARG 21 Ca 0.00 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.96 2oka h ARG 21 Cb 0.72 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.79 2oka h ARG 21 CO -0.30 0.20 -0.26 0.00 0.10 0.00 0.00 179.97 179.71 2oka h ALA 22 N 1.80 0.45 0.00 0.08 0.00 -0.42 -1.64 119.26 119.52 2oka h ALA 22 Ca -0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 2oka h ALA 22 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2oka h ALA 22 CO 0.03 0.44 -0.56 0.00 0.00 0.00 0.00 179.25 179.16 2oka h ALA 23 N 0.73 1.02 -0.02 0.00 0.00 -0.36 -1.51 119.26 119.12 2oka h ALA 23 Ca 0.06 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2oka h ALA 23 Cb 0.82 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2oka h ALA 23 CO 0.07 0.70 -0.00 2.35 0.00 0.00 0.00 179.25 182.36 2oka h TRP 24 N 0.00 0.04 -0.56 0.00 7.01 -0.98 -1.82 115.95 119.64 2oka h TRP 24 Ca -0.01 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 2oka h TRP 24 Cb 1.02 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 28.05 2oka h TRP 24 CO 0.00 0.37 0.19 -0.07 -2.79 0.00 0.00 178.44 176.14 2oka h LEU 25 N -0.29 0.77 -0.60 0.65 3.38 -1.20 -0.26 115.31 117.75 2oka h LEU 25 Ca 0.01 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2oka h LEU 25 Cb 0.35 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2oka h LEU 25 CO 0.00 0.71 0.36 0.00 0.09 0.00 0.00 178.44 179.61 2oka h ALA 26 N 1.40 0.77 -0.34 1.53 0.00 -1.17 -1.06 119.26 120.38 2oka h ALA 26 Ca 0.19 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2oka h ALA 26 Cb 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2oka h ALA 26 CO -0.01 0.25 -0.31 1.96 0.00 0.00 0.00 179.25 181.13 2oka h GLN 27 N 0.81 0.74 -0.63 0.00 4.20 -0.88 0.13 115.11 119.48 2oka h GLN 27 Ca 0.22 -0.34 0.04 0.00 0.06 0.00 0.00 58.65 58.62 2oka h GLN 27 Cb -0.02 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 2oka h GLN 27 CO -0.04 0.96 0.38 0.93 -0.67 0.00 0.00 178.83 180.38 2oka h GLU 28 N 0.63 0.71 -0.12 1.46 4.39 -0.65 -1.36 114.58 119.64 2oka h GLU 28 Ca 0.07 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 2oka h GLU 28 Cb 0.84 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2oka h GLU 28 CO 0.07 0.47 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.23 2oka h LEU 29 N 0.73 0.29 -1.89 1.33 3.38 -0.92 -3.04 115.31 115.19 2oka h LEU 29 Ca 0.26 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 2oka h LEU 29 Cb 0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2oka h LEU 29 CO -0.13 0.68 -0.13 -0.07 0.09 0.00 0.00 178.44 178.89 2oka h LEU 30 N -0.10 0.00 0.00 1.67 3.38 -0.81 -0.50 115.31 118.94 2oka h LEU 30 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2oka h LEU 30 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2oka h LEU 30 CO 0.02 0.13 -0.84 0.77 0.09 0.00 0.00 178.44 178.61 2oka h SER 31 N 0.00 0.00 0.13 -0.43 4.64 -1.27 -2.65 113.55 113.97 2oka h SER 31 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2oka h SER 31 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 2oka h SER 31 CO 0.02 0.30 -1.90 0.35 -0.87 0.00 0.00 176.83 174.72 2oka n THR 32 N -2.95 0.22 -1.83 2.95 -2.24 -1.04 -4.41 114.28 104.99 2oka n THR 32 Ca -0.02 -0.54 -0.03 0.00 -2.27 0.00 0.00 64.05 61.19 2oka n THR 32 Cb 0.68 -0.10 0.13 0.00 -2.10 0.00 0.00 70.33 68.95 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 -2.37 0.86 -0.33 4.78 3.72 -0.22 -4.87 117.46 119.03 2oka n PHE 33 Ca -0.06 -1.67 0.17 0.00 -0.05 0.00 0.00 57.45 55.84 2oka n PHE 33 Cb 0.62 -0.27 0.37 0.00 -0.94 0.00 0.00 39.48 39.26 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 1.41 1.70 0.00 4.37 0.00 -1.66 -1.76 119.26 123.31 2oka h ALA 34 Ca 0.09 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 2oka h ALA 34 Cb 1.23 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2oka h ALA 34 CO 0.24 -0.31 -0.83 -0.44 0.00 0.00 0.00 179.25 177.90 2oka h ASP 35 N 0.51 0.00 0.06 0.00 3.32 -1.89 -3.37 116.42 115.05 2oka h ASP 35 Ca 0.63 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.68 2oka h ASP 35 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 2oka h ASP 35 CO -0.50 0.39 -0.55 0.47 -1.72 0.00 0.00 179.24 177.33 2oka n ASP 36 N -3.01 1.55 -4.63 6.45 8.00 -0.73 -4.94 116.55 119.26 2oka n ASP 36 Ca -0.02 -1.23 -0.35 0.00 0.71 0.00 0.00 54.79 53.91 2oka n ASP 36 Cb 0.72 0.51 -0.10 0.00 -0.02 0.00 0.00 41.12 42.23 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 -2.62 3.61 -0.03 0.64 1.02 -0.82 -4.23 118.68 116.25 2oka s LEU 37 Ca 0.17 0.06 -0.21 0.00 0.02 0.00 0.00 54.13 54.17 2oka s LEU 37 Cb 0.18 -1.87 -0.14 0.00 0.02 0.00 0.00 46.19 44.37 2oka s LEU 37 CO 0.63 0.25 0.93 1.23 0.02 0.00 0.00 176.35 179.42 2oka h GLY 38 N 6.10 -0.40 -4.72 -3.19 0.00 -1.07 -3.47 103.07 96.32 2oka h GLY 38 Ca -0.41 0.15 0.10 0.00 0.00 0.00 0.00 47.33 47.17 2oka h GLY 38 CO 0.63 -0.15 0.59 -1.59 0.00 0.00 0.00 176.54 176.01 2oka s LYS 39 N -3.82 0.50 -0.19 4.80 -2.85 -1.23 -5.01 119.74 111.94 2oka s LYS 39 Ca -0.12 0.21 -0.04 0.00 -1.00 0.00 0.00 55.97 55.01 2oka s LYS 39 Cb 0.01 0.24 -0.02 0.00 -2.06 0.00 0.00 37.83 36.00 2oka s LYS 39 CO 0.44 -0.14 -0.02 0.08 0.10 0.00 0.00 175.35 175.81 2oka s VAL 40 N -0.82 3.74 -0.02 1.79 1.01 -1.26 -1.50 120.40 123.34 2oka s VAL 40 Ca 0.01 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2oka s VAL 40 Cb -0.01 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 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 -1.19 3.51 -0.25 0.00 1.43 -1.26 -0.16 118.68 120.75 2oka s LEU 42 Ca 0.15 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2oka s LEU 42 Cb -0.11 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 44.26 2oka s LEU 42 CO 0.05 0.05 -0.10 -0.70 0.23 0.00 0.00 176.35 175.88 2oka s GLU 43 N 1.13 2.08 0.31 1.70 2.12 0.11 -4.94 118.70 121.21 2oka s GLU 43 Ca 0.04 -1.25 -0.30 0.00 0.36 0.00 0.00 54.97 53.82 2oka s GLU 43 Cb -0.14 -2.81 -0.11 0.00 0.26 0.00 0.00 34.13 31.32 2oka s GLU 43 CO 0.03 -0.58 1.59 -0.35 -0.54 0.00 0.00 175.26 175.41 2oka n PRO 44 N 4.49 2.73 -0.74 4.30 -0.04 -1.26 -1.91 135.00 142.58 2oka n PRO 44 Ca -0.14 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 2oka n PRO 44 Cb 0.43 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 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 1.87 5.10 3.45 0.55 0.00 0.30 -4.82 105.19 111.64 2oka n GLY 45 Ca 0.07 -1.62 -0.16 0.00 0.00 0.00 0.00 46.02 44.30 2oka n GLY 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2oka s THR 46 N -1.05 0.00 -1.18 2.61 -4.23 -1.26 -2.14 115.64 108.39 2oka s THR 46 Ca 0.00 -1.69 -0.15 0.00 -1.18 0.00 0.00 61.69 58.67 2oka s THR 46 Cb 0.00 -2.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.19 2oka s THR 46 CO 0.00 0.00 0.75 0.61 -0.54 0.00 0.00 174.62 175.44 2oka n GLY 47 N -0.60 -0.84 2.32 3.99 0.00 -1.26 -2.50 105.19 106.30 2oka n GLY 47 Ca 0.03 0.39 -0.17 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.68 0.99 3.76 -0.02 0.00 -1.26 -4.94 105.19 102.04 2oka n GLY 48 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.54 3.84 -0.42 1.61 0.11 -1.04 -4.90 120.40 117.05 2oka s VAL 49 Ca 0.00 1.78 0.07 0.00 -2.93 0.00 0.00 61.98 60.90 2oka s VAL 49 Cb 0.00 -4.10 0.18 0.00 -1.53 0.00 0.00 36.38 30.93 2oka s VAL 49 CO 0.00 0.37 0.61 0.12 -3.33 0.00 0.00 175.10 172.87 2oka s PHE 50 N -1.26 -1.49 0.09 1.54 5.36 -1.23 -1.10 117.98 119.89 2oka s PHE 50 Ca 0.45 -0.07 0.08 0.00 -0.96 0.00 0.00 56.93 56.43 2oka s PHE 50 Cb -0.27 0.21 -0.03 0.00 -0.34 0.00 0.00 43.02 42.58 2oka s PHE 50 CO 0.34 -1.16 -0.21 0.50 -1.46 0.00 0.00 175.22 173.23 2oka s ARG 51 N 1.60 1.15 -0.06 10.12 3.52 -0.53 -1.22 118.95 133.53 2oka s ARG 51 Ca 0.19 -1.12 0.01 0.00 -0.13 0.00 0.00 55.73 54.68 2oka s ARG 51 Cb -0.05 -1.39 0.02 0.00 -1.56 0.00 0.00 34.95 31.97 2oka s ARG 51 CO -0.06 0.33 -0.08 0.42 -0.81 0.00 0.00 175.30 175.09 2oka s ILE 52 N -1.10 0.86 0.15 4.11 1.01 0.41 -0.77 121.20 125.87 2oka s ILE 52 Ca 0.06 -0.29 0.10 0.00 0.00 0.00 0.00 60.65 60.53 2oka s ILE 52 Cb -0.10 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 2oka s ILE 52 CO 0.04 0.30 -0.24 0.42 0.00 0.00 0.00 174.94 175.47 2oka s THR 53 N 0.97 2.12 -0.22 2.92 -4.23 -0.25 0.48 115.64 117.42 2oka s THR 53 Ca -0.10 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 58.59 2oka s THR 53 Cb -0.15 -1.93 0.06 0.00 1.34 0.00 0.00 72.50 71.82 2oka s THR 53 CO 0.00 -0.06 -0.07 0.00 -0.54 0.00 0.00 174.62 173.95 2oka n ASP 55 N 4.68 -4.02 0.00 0.00 8.00 0.48 -1.37 116.55 124.32 2oka n ASP 55 Ca -0.13 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.54 2oka n ASP 55 Cb 0.45 -3.68 0.00 0.00 -0.02 0.00 0.00 41.12 37.87 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 -1.65 3.07 3.67 0.44 0.00 -1.26 -5.01 105.19 104.45 2oka n GLY 56 Ca -0.00 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 -1.75 4.89 0.11 1.61 1.01 -0.47 -4.96 120.40 120.84 2oka s VAL 57 Ca 0.00 1.64 -0.31 0.00 0.00 0.00 0.00 61.98 63.31 2oka s VAL 57 Cb 0.00 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 2oka s VAL 57 CO 0.00 0.04 1.75 -1.58 0.00 0.00 0.00 175.10 175.31 2oka s GLN 58 N 2.07 4.16 -0.00 2.72 0.74 -1.26 -0.13 119.66 127.95 2oka s GLN 58 Ca 0.39 2.50 0.09 0.00 0.05 0.00 0.00 55.36 58.38 2oka s GLN 58 Cb -0.17 -3.54 -0.10 0.00 1.10 0.00 0.00 33.01 30.30 2oka s GLN 58 CO 0.13 -0.79 0.35 0.28 -0.55 0.00 0.00 175.29 174.71 2oka n VAL 59 N 4.65 0.00 -3.61 1.34 0.31 0.18 -4.90 118.33 116.29 2oka n VAL 59 Ca 0.17 -0.29 -0.09 0.00 -0.01 0.00 0.00 64.34 64.12 2oka n VAL 59 Cb 0.39 0.93 -0.06 0.00 -0.91 0.00 0.00 33.84 34.19 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 -1.89 -0.37 -0.19 3.52 -0.11 -0.97 -4.95 118.94 113.99 2oka s TRP 60 Ca 0.03 0.79 -0.08 0.00 1.22 0.00 0.00 56.10 58.06 2oka s TRP 60 Cb 0.06 0.42 0.08 0.00 -1.50 0.00 0.00 33.47 32.53 2oka s TRP 60 CO 0.35 -0.24 0.43 -2.00 -4.62 0.00 0.00 176.95 170.86 2oka s GLU 61 N -0.39 0.36 0.14 5.86 -6.30 -1.26 -0.45 118.70 116.67 2oka s GLU 61 Ca 0.02 0.94 -0.26 0.00 -2.50 0.00 0.00 54.97 53.17 2oka s GLU 61 Cb -0.03 0.18 -0.06 0.00 0.00 0.00 0.00 34.13 34.22 2oka s GLU 61 CO -0.04 -0.21 1.39 -2.13 0.02 0.00 0.00 175.26 174.29 2oka n ARG 62 N 4.90 -0.37 0.23 4.30 0.63 -0.36 -0.71 116.66 125.29 2oka n ARG 62 Ca -0.15 1.36 -0.15 0.00 -0.92 0.00 0.00 57.85 57.99 2oka n ARG 62 Cb 0.52 -2.00 -0.08 0.00 0.45 0.00 0.00 32.46 31.34 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 -0.55 -0.37 -0.14 1.57 -1.88 0.37 116.57 115.57 2oka h LYS 63 Ca 0.14 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.03 2oka h LYS 63 Cb 0.35 0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 2oka h LYS 63 CO -0.80 -0.30 -0.09 0.00 -0.57 0.00 0.00 179.45 177.69 2oka h ALA 64 N -0.16 0.25 -0.14 3.86 0.00 -1.88 -2.09 119.26 119.09 2oka h ALA 64 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2oka h ALA 64 Cb 0.50 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2oka h ALA 64 CO 0.10 -0.46 0.00 -0.25 0.00 0.00 0.00 179.25 178.64 2oka n ASP 65 N -5.29 1.95 -2.96 0.00 8.00 0.12 -4.99 116.55 113.37 2oka n ASP 65 Ca 0.02 -1.71 -0.04 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 41.24 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 -1.10 0.00 0.44 0.00 0.10 -4.87 105.19 100.97 2oka n GLY 66 Ca 0.17 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -1.56 0.14 3.57 -0.02 0.00 0.45 -5.02 105.19 102.76 2oka n GLY 67 Ca -0.02 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 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 2.83 0.51 1.61 0.40 -1.26 -4.24 117.98 117.83 2oka s PHE 68 Ca 0.00 -0.07 -0.21 0.00 -0.60 0.00 0.00 56.93 56.05 2oka s PHE 68 Cb 0.00 -1.59 -0.07 0.00 0.51 0.00 0.00 43.02 41.87 2oka s PHE 68 CO 0.00 0.35 1.13 -1.25 0.70 0.00 0.00 175.22 176.15 2oka s PRO 69 N -1.39 3.54 0.34 0.24 0.04 -1.26 -5.04 135.00 131.47 2oka s PRO 69 Ca 0.16 1.63 -0.19 0.00 0.04 0.00 0.00 61.00 62.64 2oka s PRO 69 Cb -0.11 -2.14 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 2oka s PRO 69 CO 0.07 -0.70 0.83 -1.21 0.04 0.00 0.00 177.00 176.03 2oka s GLU 70 N -3.09 4.21 0.19 4.56 0.41 -1.26 -4.92 118.70 118.80 2oka s GLU 70 Ca 0.69 0.95 -0.12 0.00 -0.41 0.00 0.00 54.97 56.07 2oka s GLU 70 Cb -0.24 -2.50 0.22 0.00 -1.78 0.00 0.00 34.13 29.83 2oka s GLU 70 CO 0.28 0.16 1.70 0.00 -0.49 0.00 0.00 175.26 176.92 2oka h ALA 71 N 2.51 0.56 -0.26 5.21 0.00 -1.99 -1.54 119.26 123.76 2oka h ALA 71 Ca -0.48 0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.60 2oka h ALA 71 Cb 1.18 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 2oka h ALA 71 CO 0.64 -0.34 0.04 -0.22 0.00 0.00 0.00 179.25 179.37 2oka h LYS 72 N 0.19 0.12 -0.61 0.00 3.64 -1.99 -0.41 116.57 117.51 2oka h LYS 72 Ca 0.27 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.67 2oka h LYS 72 Cb 0.39 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 2oka h LYS 72 CO -0.38 0.08 0.36 0.00 -2.27 0.00 0.00 179.45 177.25 2oka h ALA 73 N 1.20 0.80 -0.53 5.00 0.00 -1.78 -0.80 119.26 123.15 2oka h ALA 73 Ca 0.12 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2oka h ALA 73 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2oka h ALA 73 CO -0.17 0.09 -0.11 1.25 0.00 0.00 0.00 179.25 180.30 2oka h LEU 74 N 0.71 0.99 -0.83 0.00 5.85 -0.94 -2.38 115.31 118.71 2oka h LEU 74 Ca 0.25 -0.32 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 2oka h LEU 74 Cb 0.06 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 2oka h LEU 74 CO -0.12 1.10 0.07 0.11 -0.34 0.00 0.00 178.44 179.26 2oka h LYS 75 N 0.88 0.95 -0.65 1.25 1.57 -0.62 -1.83 116.57 118.13 2oka h LYS 75 Ca 0.14 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 2oka h LYS 75 Cb 0.66 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.83 2oka h LYS 75 CO 0.05 0.89 0.23 1.96 -0.57 0.00 0.00 179.45 182.01 2oka h GLN 76 N 0.89 0.98 -0.21 3.15 4.20 -0.97 0.26 115.11 123.41 2oka h GLN 76 Ca 0.18 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 2oka h GLN 76 Cb 0.42 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 2oka h GLN 76 CO 0.01 0.84 -0.34 0.00 -0.67 0.00 0.00 178.83 178.67 2oka h ARG 77 N 0.92 0.45 -0.04 1.46 3.08 -1.19 -1.04 114.38 118.03 2oka h ARG 77 Ca 0.21 -0.20 -0.22 0.00 0.07 0.00 0.00 59.98 59.84 2oka h ARG 77 Cb 0.24 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2oka h ARG 77 CO -0.01 0.74 -0.89 0.28 -1.07 0.00 0.00 179.97 179.02 2oka h VAL 78 N 0.39 1.36 -0.07 2.04 2.07 -1.03 -3.16 116.25 117.84 2oka h VAL 78 Ca 0.04 -2.29 -0.00 0.00 0.82 0.00 0.00 66.70 65.28 2oka h VAL 78 Cb 0.78 2.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 2oka h VAL 78 CO 0.06 0.69 0.04 -0.09 0.02 0.00 0.00 177.57 178.29 2oka h ARG 79 N 0.31 0.10 -0.76 1.57 1.12 -0.23 -0.08 114.38 116.41 2oka h ARG 79 Ca -0.07 -0.01 0.18 0.00 -1.11 0.00 0.00 59.98 58.96 2oka h ARG 79 Cb 1.52 -0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 31.41 2oka h ARG 79 CO 0.16 0.14 0.52 -0.44 -3.11 0.00 0.00 179.97 177.24 2oka h ASP 80 N 0.03 0.26 0.57 -3.80 3.32 -1.23 0.51 116.42 116.09 2oka h ASP 80 Ca 0.03 0.02 -0.22 0.00 0.02 0.00 0.00 57.03 56.88 2oka h ASP 80 Cb 0.07 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 2oka h ASP 80 CO -0.00 0.13 -1.59 0.54 -1.72 0.00 0.00 179.24 176.60 2oka n ARG 81 N -4.44 0.63 -0.10 3.56 1.74 -1.01 -3.80 116.66 113.24 2oka n ARG 81 Ca 0.15 0.22 -0.10 0.00 -0.77 0.00 0.00 57.85 57.35 2oka n ARG 81 Cb 0.64 -1.78 -0.16 0.00 -1.02 0.00 0.00 32.46 30.14 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 -2.92 1.39 -2.82 0.55 -0.00 -0.07 -4.79 119.36 110.69 2oka n ILE 82 Ca -0.13 -0.84 -0.09 0.00 -0.00 0.00 0.00 62.75 61.68 2oka n ILE 82 Cb 0.92 -0.50 0.02 0.00 -0.00 0.00 0.00 39.64 40.09 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 -2.76 -2.74 -0.30 4.38 -0.08 0.17 -5.04 116.55 110.18 2oka n ASP 83 Ca -0.33 -3.09 0.01 0.00 -1.51 0.00 0.00 54.79 49.87 2oka n ASP 83 Cb 1.15 1.51 0.06 0.00 2.34 0.00 0.00 41.12 46.17 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 2.11 -0.15 -3.12 -0.67 -0.02 -1.01 -3.62 135.00 128.52 2oka n PRO 84 Ca 0.14 1.22 -0.44 0.00 -2.02 0.00 0.00 63.50 62.40 2oka n PRO 84 Cb 0.59 -1.81 -0.06 0.00 -0.02 0.00 0.00 33.50 32.20 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 -5.83 3.13 -0.30 -0.52 -2.07 -1.26 -4.69 119.66 108.11 2oka s GLN 85 Ca -0.11 -0.90 -0.18 0.00 -1.82 0.00 0.00 55.36 52.35 2oka s GLN 85 Cb 0.18 -4.12 0.19 0.00 -1.09 0.00 0.00 33.01 28.16 2oka s GLN 85 CO 0.58 -1.30 1.19 0.50 -1.32 0.00 0.00 175.29 174.94 2oka s ARG 86 N 2.77 0.12 0.00 9.60 3.00 -1.24 -5.15 118.95 128.05 2oka s ARG 86 Ca 0.16 0.29 0.29 0.00 -1.00 0.00 0.00 55.73 55.47 2oka s ARG 86 Cb -0.19 0.16 1.37 0.00 0.00 0.00 0.00 34.95 36.29 2oka s ARG 86 CO 0.12 -0.04 1.93 -3.47 0.00 0.00 0.00 175.30 173.83