#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 2.83 0.24 0.00 1.02 -1.26 -4.97 119.74 117.59 2oka s LYS 5 Ca 0.00 1.00 -0.31 0.00 0.02 0.00 0.00 55.97 56.68 2oka s LYS 5 Cb 0.00 -1.97 -0.14 0.00 -0.52 0.00 0.00 37.83 35.20 2oka s LYS 5 CO 0.00 -1.19 1.27 -2.30 -0.92 0.00 0.00 175.35 172.21 2oka n PRO 6 N -3.16 1.70 -4.21 -1.68 -0.02 -1.26 -4.02 135.00 122.34 2oka n PRO 6 Ca 0.08 0.60 -0.34 0.00 -2.02 0.00 0.00 63.50 61.82 2oka n PRO 6 Cb 0.53 -2.17 -0.11 0.00 -0.02 0.00 0.00 33.50 31.73 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 -0.70 3.76 -0.13 -0.52 2.12 -1.26 -0.86 118.70 121.11 2oka s GLU 7 Ca 0.67 -0.46 -0.05 0.00 0.36 0.00 0.00 54.97 55.49 2oka s GLU 7 Cb -0.71 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 2oka s GLU 7 CO 0.53 0.21 0.04 0.42 -0.54 0.00 0.00 175.26 175.92 2oka s ILE 8 N 0.48 4.61 -0.10 -3.70 -1.09 -0.53 -0.49 121.20 120.38 2oka s ILE 8 Ca -0.01 -0.12 0.01 0.00 -2.23 0.00 0.00 60.65 58.31 2oka s ILE 8 Cb -0.14 -3.01 0.02 0.00 -1.58 0.00 0.00 42.46 37.75 2oka s ILE 8 CO 0.02 0.54 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.45 2oka s VAL 9 N -0.31 1.34 -0.31 2.92 1.01 -0.35 -0.11 120.40 124.59 2oka s VAL 9 Ca 0.08 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 2oka s VAL 9 Cb -0.12 -1.25 0.04 0.00 0.00 0.00 0.00 36.38 35.05 2oka s VAL 9 CO 0.02 0.41 0.05 -0.63 0.00 0.00 0.00 175.10 174.94 2oka s ILE 10 N 1.09 3.41 -0.28 2.22 1.01 0.82 -1.03 121.20 128.44 2oka s ILE 10 Ca -0.05 -1.17 -0.11 0.00 0.00 0.00 0.00 60.65 59.32 2oka s ILE 10 Cb -0.14 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 2oka s ILE 10 CO -0.02 -0.08 0.18 -0.89 0.00 0.00 0.00 174.94 174.13 2oka s THR 11 N 1.35 5.20 0.07 2.92 2.01 0.13 0.03 115.64 127.36 2oka s THR 11 Ca -0.02 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.12 2oka s THR 11 Cb -0.19 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 2oka s THR 11 CO 0.01 0.22 -0.17 -0.72 -0.69 0.00 0.00 174.62 173.27 2oka s TYR 12 N 1.74 1.45 -0.27 4.92 1.13 -0.74 -1.51 117.35 124.07 2oka s TYR 12 Ca 0.07 -0.42 -0.29 0.00 -1.41 0.00 0.00 57.07 55.02 2oka s TYR 12 Cb -0.16 -0.82 -0.01 0.00 -1.10 0.00 0.00 41.96 39.87 2oka s TYR 12 CO 0.10 0.10 1.36 0.00 -2.51 0.00 0.00 175.55 174.61 2oka h THR 14 N 5.95 1.31 0.00 0.00 1.35 -1.76 -3.00 112.91 116.75 2oka h THR 14 Ca -0.28 -1.49 -0.03 0.00 -0.55 0.00 0.00 66.41 64.06 2oka h THR 14 Cb 1.11 1.64 -0.00 0.00 -1.73 0.00 0.00 68.15 69.17 2oka h THR 14 CO 1.02 0.47 -0.14 1.56 -0.25 0.00 0.00 175.52 178.18 2oka h GLN 15 N 0.42 0.00 0.00 4.72 1.08 -1.92 -1.59 115.11 117.82 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 0.89 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 2oka h GLN 15 CO 0.08 0.14 0.00 0.00 -0.95 0.00 0.00 178.83 178.10 2oka n GLN 17 N -1.19 -5.98 -0.41 0.00 1.13 -0.60 -4.92 117.38 105.41 2oka n GLN 17 Ca 0.15 0.63 0.11 0.00 -1.94 0.00 0.00 57.00 55.95 2oka n GLN 17 Cb 0.17 -5.07 0.32 0.00 0.11 0.00 0.00 30.24 25.77 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 -4.32 1.05 -0.12 1.08 8.01 -1.15 -4.37 117.44 117.63 2oka n TRP 18 Ca -0.01 -0.50 -0.09 0.00 -1.31 0.00 0.00 57.50 55.59 2oka n TRP 18 Cb 0.55 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.31 29.79 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 4.12 0.46 0.12 -0.99 5.85 -1.88 -1.63 115.31 121.35 2oka h LEU 19 Ca 0.00 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2oka h LEU 19 Cb 1.05 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 2oka h LEU 19 CO 0.05 0.42 -0.53 -0.07 -0.34 0.00 0.00 178.44 177.97 2oka h LEU 20 N 0.46 -1.60 -1.63 2.25 4.07 -2.00 0.19 115.31 117.06 2oka h LEU 20 Ca 0.13 0.17 -0.04 0.00 0.08 0.00 0.00 57.88 58.21 2oka h LEU 20 Cb 0.07 0.59 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 2oka h LEU 20 CO -0.02 -0.56 -0.20 0.08 -1.08 0.00 0.00 178.44 176.66 2oka h ARG 21 N -0.75 0.00 -0.27 1.13 0.11 -1.84 -0.30 114.38 112.45 2oka h ARG 21 Ca -0.00 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 2oka h ARG 21 Cb 0.76 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.84 2oka h ARG 21 CO -0.29 0.20 -0.26 0.00 0.10 0.00 0.00 179.97 179.72 2oka h ALA 22 N 1.80 0.39 -0.07 0.08 0.00 -0.50 -1.60 119.26 119.36 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 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2oka h ALA 22 CO 0.03 0.38 -0.49 0.00 0.00 0.00 0.00 179.25 179.17 2oka h ALA 23 N 0.70 1.04 0.05 0.00 0.00 -0.29 -1.70 119.26 119.06 2oka h ALA 23 Ca 0.04 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 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 0.06 0.64 -0.02 2.35 0.00 0.00 0.00 179.25 182.28 2oka h TRP 24 N 0.15 -0.06 -0.59 0.00 7.01 -0.92 -1.74 115.95 119.80 2oka h TRP 24 Ca 0.01 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.98 2oka h TRP 24 Cb 0.92 0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.97 2oka h TRP 24 CO 0.01 0.14 0.25 -0.07 -2.79 0.00 0.00 178.44 175.98 2oka h LEU 25 N -0.25 0.77 -0.54 0.65 3.38 -1.20 -0.32 115.31 117.81 2oka h LEU 25 Ca -0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2oka h LEU 25 Cb 0.23 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2oka h LEU 25 CO 0.01 0.68 0.28 0.00 0.09 0.00 0.00 178.44 179.51 2oka h ALA 26 N 1.43 0.70 -0.34 1.53 0.00 -1.19 -1.40 119.26 119.99 2oka h ALA 26 Ca 0.20 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2oka h ALA 26 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2oka h ALA 26 CO -0.02 0.23 -0.33 1.96 0.00 0.00 0.00 179.25 181.10 2oka h GLN 27 N 0.73 0.74 -0.57 0.00 4.20 -0.81 -0.05 115.11 119.35 2oka h GLN 27 Ca 0.19 -0.35 0.05 0.00 0.06 0.00 0.00 58.65 58.60 2oka h GLN 27 Cb 0.07 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 2oka h GLN 27 CO -0.03 0.96 0.30 0.93 -0.67 0.00 0.00 178.83 180.32 2oka h GLU 28 N 0.63 0.55 -0.08 1.46 4.39 -0.72 -1.23 114.58 119.58 2oka h GLU 28 Ca 0.07 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2oka h GLU 28 Cb 0.85 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2oka h GLU 28 CO 0.07 0.37 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.17 2oka h LEU 29 N 0.57 0.18 -2.07 1.33 3.38 -1.01 -2.99 115.31 114.70 2oka h LEU 29 Ca 0.25 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2oka h LEU 29 Cb 0.15 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2oka h LEU 29 CO -0.17 0.57 -0.08 -0.07 0.09 0.00 0.00 178.44 178.78 2oka h LEU 30 N -0.22 0.00 0.00 1.67 3.38 -0.84 -0.49 115.31 118.81 2oka h LEU 30 Ca 0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 2oka h LEU 30 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2oka h LEU 30 CO 0.01 0.08 -1.08 0.77 0.09 0.00 0.00 178.44 178.32 2oka h SER 31 N 0.00 0.00 0.33 -0.43 4.64 -1.23 -2.69 113.55 114.17 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 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2oka h SER 31 CO 0.01 0.58 -1.60 0.35 -0.87 0.00 0.00 176.83 175.30 2oka n THR 32 N -3.03 0.20 -1.80 2.95 -2.24 -1.02 -4.39 114.28 104.95 2oka n THR 32 Ca -0.05 -0.48 0.02 0.00 -2.27 0.00 0.00 64.05 61.27 2oka n THR 32 Cb 0.81 -0.06 0.16 0.00 -2.10 0.00 0.00 70.33 69.14 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 -2.34 0.33 -0.33 4.78 3.72 -0.22 -4.88 117.46 118.52 2oka n PHE 33 Ca -0.02 -1.45 0.18 0.00 -0.05 0.00 0.00 57.45 56.10 2oka n PHE 33 Cb 0.55 -0.25 0.38 0.00 -0.94 0.00 0.00 39.48 39.23 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 1.17 1.70 0.00 4.37 0.00 -1.66 -1.58 119.26 123.25 2oka h ALA 34 Ca 0.01 0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 2oka h ALA 34 Cb 1.19 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2oka h ALA 34 CO 0.10 -0.40 -0.97 -0.44 0.00 0.00 0.00 179.25 177.54 2oka h ASP 35 N 0.42 0.00 0.15 0.00 3.32 -1.89 -3.36 116.42 115.06 2oka h ASP 35 Ca 0.64 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.69 2oka h ASP 35 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2oka h ASP 35 CO -0.55 0.69 -0.41 0.47 -1.72 0.00 0.00 179.24 177.73 2oka n ASP 36 N -3.15 1.33 -4.57 6.45 8.00 -0.67 -4.92 116.55 119.02 2oka n ASP 36 Ca -0.03 -1.07 -0.34 0.00 0.71 0.00 0.00 54.79 54.06 2oka n ASP 36 Cb 0.84 0.32 -0.11 0.00 -0.02 0.00 0.00 41.12 42.15 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 -2.57 3.32 -0.03 0.64 1.02 -0.78 -4.25 118.68 116.04 2oka s LEU 37 Ca 0.20 -0.03 -0.21 0.00 0.02 0.00 0.00 54.13 54.11 2oka s LEU 37 Cb 0.18 -1.77 -0.14 0.00 0.02 0.00 0.00 46.19 44.48 2oka s LEU 37 CO 0.58 0.27 0.95 1.23 0.02 0.00 0.00 176.35 179.39 2oka h GLY 38 N 5.95 -0.41 -4.62 -3.19 0.00 -1.13 -3.47 103.07 96.19 2oka h GLY 38 Ca -0.41 0.15 0.10 0.00 0.00 0.00 0.00 47.33 47.18 2oka h GLY 38 CO 0.58 -0.15 0.59 -1.59 0.00 0.00 0.00 176.54 175.98 2oka s LYS 39 N -3.86 0.51 -0.19 4.80 -2.85 -1.23 -5.00 119.74 111.92 2oka s LYS 39 Ca -0.12 0.17 -0.03 0.00 -1.00 0.00 0.00 55.97 54.99 2oka s LYS 39 Cb 0.01 0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 36.01 2oka s LYS 39 CO 0.44 -0.15 -0.06 0.08 0.10 0.00 0.00 175.35 175.77 2oka s VAL 40 N -0.95 3.45 -0.03 1.79 1.01 -1.26 -1.45 120.40 122.96 2oka s VAL 40 Ca 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2oka s VAL 40 Cb -0.01 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 2oka s VAL 40 CO -0.01 0.46 -0.08 0.00 0.00 0.00 0.00 175.10 175.47 2oka s LEU 42 N -1.09 3.50 -0.25 0.00 1.43 -1.26 -0.13 118.68 120.88 2oka s LEU 42 Ca 0.14 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 2oka s LEU 42 Cb -0.11 -1.93 0.05 0.00 0.03 0.00 0.00 46.19 44.23 2oka s LEU 42 CO 0.04 -0.01 -0.12 -0.70 0.23 0.00 0.00 176.35 175.79 2oka s GLU 43 N 1.45 2.37 0.34 1.70 2.12 0.10 -4.95 118.70 121.83 2oka s GLU 43 Ca 0.06 -1.26 -0.29 0.00 0.36 0.00 0.00 54.97 53.84 2oka s GLU 43 Cb -0.15 -2.84 -0.11 0.00 0.26 0.00 0.00 34.13 31.29 2oka s GLU 43 CO 0.04 -0.51 1.53 -1.25 -0.54 0.00 0.00 175.26 174.53 2oka s PRO 44 N 1.14 4.12 0.00 4.30 0.04 -1.26 -1.79 135.00 141.55 2oka s PRO 44 Ca -0.07 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.54 2oka s PRO 44 Cb -0.19 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2oka s PRO 44 CO -0.06 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.82 2oka n GLY 45 N 1.23 4.77 3.44 0.56 0.00 0.25 -4.80 105.19 110.64 2oka n GLY 45 Ca 0.04 -1.56 -0.16 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.35 0.00 -1.26 2.61 -4.23 -1.26 -2.02 115.64 108.13 2oka s THR 46 Ca 0.00 -1.69 -0.04 0.00 -1.18 0.00 0.00 61.69 58.78 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 0.71 0.61 -0.54 0.00 0.00 174.62 175.40 2oka n GLY 47 N -0.61 -0.47 2.51 3.99 0.00 -1.26 -2.44 105.19 106.90 2oka n GLY 47 Ca 0.03 0.22 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.59 1.33 3.76 -0.02 0.00 -1.26 -4.95 105.19 102.46 2oka n GLY 48 Ca -0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.77 3.69 -0.41 1.61 0.11 -1.02 -4.89 120.40 116.71 2oka s VAL 49 Ca 0.00 1.70 0.07 0.00 -2.93 0.00 0.00 61.98 60.82 2oka s VAL 49 Cb 0.00 -4.08 0.18 0.00 -1.53 0.00 0.00 36.38 30.95 2oka s VAL 49 CO 0.00 0.40 0.59 0.12 -3.33 0.00 0.00 175.10 172.88 2oka s PHE 50 N -1.18 -1.45 0.10 1.54 5.36 -1.22 -1.03 117.98 120.09 2oka s PHE 50 Ca 0.43 -0.02 0.08 0.00 -0.96 0.00 0.00 56.93 56.46 2oka s PHE 50 Cb -0.30 0.18 -0.03 0.00 -0.34 0.00 0.00 43.02 42.53 2oka s PHE 50 CO 0.38 -1.15 -0.21 0.50 -1.46 0.00 0.00 175.22 173.28 2oka s ARG 51 N 1.68 1.15 -0.06 10.12 3.52 -0.57 -1.04 118.95 133.76 2oka s ARG 51 Ca 0.17 -1.14 0.01 0.00 -0.13 0.00 0.00 55.73 54.65 2oka s ARG 51 Cb -0.06 -1.41 0.02 0.00 -1.56 0.00 0.00 34.95 31.95 2oka s ARG 51 CO -0.06 0.33 -0.07 0.42 -0.81 0.00 0.00 175.30 175.11 2oka s ILE 52 N -1.12 0.74 0.14 4.11 1.01 0.48 -0.69 121.20 125.87 2oka s ILE 52 Ca 0.07 -0.22 0.10 0.00 0.00 0.00 0.00 60.65 60.59 2oka s ILE 52 Cb -0.10 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 2oka s ILE 52 CO 0.04 0.28 -0.23 0.42 0.00 0.00 0.00 174.94 175.45 2oka s THR 53 N 1.00 2.04 -0.22 2.92 -4.23 -0.19 0.48 115.64 117.43 2oka s THR 53 Ca -0.09 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 2oka s THR 53 Cb -0.14 -1.87 0.05 0.00 1.34 0.00 0.00 72.50 71.88 2oka s THR 53 CO -0.00 -0.08 -0.07 0.00 -0.54 0.00 0.00 174.62 173.93 2oka n ASP 55 N 4.70 -3.54 0.00 0.00 8.00 0.36 -1.21 116.55 124.86 2oka n ASP 55 Ca -0.13 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.50 2oka n ASP 55 Cb 0.45 -3.51 0.00 0.00 -0.02 0.00 0.00 41.12 38.04 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 3.19 3.68 0.44 0.00 -1.26 -5.02 105.19 104.58 2oka n GLY 56 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.85 5.01 0.08 1.61 1.01 -0.35 -4.98 120.40 120.94 2oka s VAL 57 Ca 0.00 1.30 -0.31 0.00 0.00 0.00 0.00 61.98 62.97 2oka s VAL 57 Cb 0.00 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.30 2oka s VAL 57 CO 0.00 0.13 1.74 -1.58 0.00 0.00 0.00 175.10 175.39 2oka s GLN 58 N 1.68 4.17 -0.00 2.72 0.74 -1.26 -0.06 119.66 127.64 2oka s GLN 58 Ca 0.32 2.44 0.11 0.00 0.05 0.00 0.00 55.36 58.27 2oka s GLN 58 Cb -0.16 -3.65 -0.13 0.00 1.10 0.00 0.00 33.01 30.17 2oka s GLN 58 CO 0.12 -0.79 0.40 0.28 -0.55 0.00 0.00 175.29 174.75 2oka n VAL 59 N 4.81 0.00 -3.61 1.34 0.31 0.18 -4.91 118.33 116.45 2oka n VAL 59 Ca 0.17 -0.25 -0.10 0.00 -0.01 0.00 0.00 64.34 64.15 2oka n VAL 59 Cb 0.40 0.82 -0.06 0.00 -0.91 0.00 0.00 33.84 34.08 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 -2.19 -0.42 -0.19 3.52 -0.11 -0.97 -4.95 118.94 113.62 2oka s TRP 60 Ca 0.02 0.92 -0.08 0.00 1.22 0.00 0.00 56.10 58.18 2oka s TRP 60 Cb 0.08 0.40 0.08 0.00 -1.50 0.00 0.00 33.47 32.53 2oka s TRP 60 CO 0.44 -0.27 0.42 -2.00 -4.62 0.00 0.00 176.95 170.92 2oka s GLU 61 N -0.32 0.36 0.10 5.86 -6.30 -1.26 -0.39 118.70 116.74 2oka s GLU 61 Ca 0.01 0.94 -0.20 0.00 -2.50 0.00 0.00 54.97 53.23 2oka s GLU 61 Cb -0.03 0.19 -0.04 0.00 0.00 0.00 0.00 34.13 34.24 2oka s GLU 61 CO -0.03 -0.21 1.20 -2.13 0.02 0.00 0.00 175.26 174.11 2oka n ARG 62 N 4.93 -0.28 0.20 4.30 0.63 -0.20 -0.74 116.66 125.50 2oka n ARG 62 Ca -0.14 1.18 -0.15 0.00 -0.92 0.00 0.00 57.85 57.82 2oka n ARG 62 Cb 0.52 -1.74 -0.08 0.00 0.45 0.00 0.00 32.46 31.60 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 -0.46 -0.38 -0.14 1.57 -1.88 0.36 116.57 115.64 2oka h LYS 63 Ca 0.10 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.98 2oka h LYS 63 Cb 0.26 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.62 2oka h LYS 63 CO -0.60 -0.24 0.00 0.00 -0.57 0.00 0.00 179.45 178.05 2oka h ALA 64 N 0.00 0.34 -0.16 3.86 0.00 -1.88 -2.32 119.26 119.12 2oka h ALA 64 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2oka h ALA 64 Cb 0.44 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2oka h ALA 64 CO 0.08 -0.39 0.00 -0.25 0.00 0.00 0.00 179.25 178.69 2oka n ASP 65 N -5.19 1.98 -2.99 0.00 8.00 0.08 -4.99 116.55 113.45 2oka n ASP 65 Ca 0.02 -1.73 -0.07 0.00 0.71 0.00 0.00 54.79 53.72 2oka n ASP 65 Cb 0.19 -0.10 0.03 0.00 -0.02 0.00 0.00 41.12 41.23 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 0.98 -4.85 105.19 101.92 2oka n GLY 66 Ca 0.17 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -1.46 0.22 3.44 -0.02 0.00 0.41 -5.02 105.19 102.76 2oka n GLY 67 Ca -0.03 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 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 2.55 0.46 1.61 0.08 -1.26 -4.21 117.98 117.20 2oka s PHE 68 Ca 0.00 -0.27 -0.23 0.00 0.12 0.00 0.00 56.93 56.56 2oka s PHE 68 Cb 0.00 -1.49 -0.07 0.00 -0.57 0.00 0.00 43.02 40.89 2oka s PHE 68 CO 0.00 0.21 1.15 -1.25 -0.10 0.00 0.00 175.22 175.23 2oka s PRO 69 N -1.24 3.76 0.38 0.24 0.04 -1.26 -5.03 135.00 131.88 2oka s PRO 69 Ca 0.14 1.73 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 2oka s PRO 69 Cb -0.10 -2.38 -0.10 0.00 0.04 0.00 0.00 34.50 31.95 2oka s PRO 69 CO 0.04 -0.54 0.89 -1.21 0.04 0.00 0.00 177.00 176.22 2oka s GLU 70 N -2.74 4.24 0.20 4.56 0.41 -1.26 -4.91 118.70 119.20 2oka s GLU 70 Ca 0.64 1.04 -0.10 0.00 -0.41 0.00 0.00 54.97 56.14 2oka s GLU 70 Cb -0.27 -2.36 0.26 0.00 -1.78 0.00 0.00 34.13 29.97 2oka s GLU 70 CO 0.33 0.08 1.75 0.00 -0.49 0.00 0.00 175.26 176.93 2oka h ALA 71 N 2.25 0.77 -0.09 5.21 0.00 -1.99 -1.60 119.26 123.81 2oka h ALA 71 Ca -0.48 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.52 2oka h ALA 71 Cb 1.18 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2oka h ALA 71 CO 0.63 -0.17 -0.03 -0.22 0.00 0.00 0.00 179.25 179.45 2oka h LYS 72 N 0.43 -0.02 -0.67 0.00 3.64 -1.99 -0.45 116.57 117.51 2oka h LYS 72 Ca 0.30 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.71 2oka h LYS 72 Cb 0.34 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 2oka h LYS 72 CO -0.28 -0.01 0.41 0.00 -2.27 0.00 0.00 179.45 177.30 2oka h ALA 73 N 1.07 0.87 -0.45 5.00 0.00 -1.84 -0.97 119.26 122.96 2oka h ALA 73 Ca 0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2oka h ALA 73 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2oka h ALA 73 CO -0.11 0.16 -0.15 1.25 0.00 0.00 0.00 179.25 180.41 2oka h LEU 74 N 0.80 0.84 -0.85 0.00 5.85 -1.00 -2.30 115.31 118.64 2oka h LEU 74 Ca 0.27 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2oka h LEU 74 Cb 0.04 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2oka h LEU 74 CO -0.11 0.99 -0.08 0.11 -0.34 0.00 0.00 178.44 179.00 2oka h LYS 75 N 0.75 0.77 -0.56 1.25 1.57 -0.65 -1.82 116.57 117.87 2oka h LYS 75 Ca 0.12 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 2oka h LYS 75 Cb 0.66 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 2oka h LYS 75 CO 0.05 0.83 0.22 1.96 -0.57 0.00 0.00 179.45 181.94 2oka h GLN 76 N 0.70 0.84 -0.21 3.15 4.20 -0.96 0.21 115.11 123.05 2oka h GLN 76 Ca 0.12 -0.16 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 2oka h GLN 76 Cb 0.55 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2oka h GLN 76 CO 0.03 0.74 -0.34 0.00 -0.67 0.00 0.00 178.83 178.59 2oka h ARG 77 N 0.77 0.44 0.01 1.46 3.08 -1.15 -0.89 114.38 118.11 2oka h ARG 77 Ca 0.19 -0.20 -0.23 0.00 0.07 0.00 0.00 59.98 59.81 2oka h ARG 77 Cb 0.21 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2oka h ARG 77 CO -0.01 0.73 -0.98 0.28 -1.07 0.00 0.00 179.97 178.92 2oka h VAL 78 N 0.38 1.40 0.16 2.04 2.07 -1.09 -3.16 116.25 118.05 2oka h VAL 78 Ca 0.04 -2.49 -0.01 0.00 0.82 0.00 0.00 66.70 65.07 2oka h VAL 78 Cb 0.78 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 2oka h VAL 78 CO 0.06 0.74 -0.08 -0.09 0.02 0.00 0.00 177.57 178.23 2oka h ARG 79 N 0.22 -0.21 -0.75 1.57 1.12 -0.30 -0.24 114.38 115.80 2oka h ARG 79 Ca -0.09 0.01 0.20 0.00 -1.11 0.00 0.00 59.98 58.99 2oka h ARG 79 Cb 1.62 0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 31.59 2oka h ARG 79 CO 0.17 -0.13 0.52 -0.44 -3.11 0.00 0.00 179.97 176.98 2oka h ASP 80 N -0.22 0.13 0.49 -3.80 3.32 -1.20 0.46 116.42 115.61 2oka h ASP 80 Ca -0.02 0.01 -0.23 0.00 0.02 0.00 0.00 57.03 56.81 2oka h ASP 80 Cb 0.17 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 2oka h ASP 80 CO 0.04 0.06 -1.69 0.54 -1.72 0.00 0.00 179.24 176.47 2oka n ARG 81 N -4.38 0.64 -0.10 3.56 1.74 -1.02 -3.83 116.66 113.27 2oka n ARG 81 Ca 0.15 0.19 -0.11 0.00 -0.77 0.00 0.00 57.85 57.31 2oka n ARG 81 Cb 0.73 -1.74 -0.15 0.00 -1.02 0.00 0.00 32.46 30.27 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 -2.88 1.40 -2.84 0.55 -0.00 -0.13 -4.79 119.36 110.66 2oka n ILE 82 Ca -0.15 -0.82 -0.10 0.00 -0.00 0.00 0.00 62.75 61.68 2oka n ILE 82 Cb 0.94 -0.57 0.01 0.00 -0.00 0.00 0.00 39.64 40.02 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 -2.81 -2.60 -0.28 4.38 -0.08 0.16 -5.04 116.55 110.28 2oka n ASP 83 Ca -0.34 -3.06 0.00 0.00 -1.51 0.00 0.00 54.79 49.88 2oka n ASP 83 Cb 1.14 1.40 0.04 0.00 2.34 0.00 0.00 41.12 46.04 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 -3.21 -0.67 -0.02 -1.04 -3.59 135.00 128.42 2oka n PRO 84 Ca 0.14 1.16 -0.43 0.00 -2.02 0.00 0.00 63.50 62.35 2oka n PRO 84 Cb 0.59 -1.72 -0.07 0.00 -0.02 0.00 0.00 33.50 32.28 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 3.13 -0.30 -0.52 -2.07 -1.26 -4.67 119.66 108.22 2oka s GLN 85 Ca -0.10 -0.80 -0.18 0.00 -1.82 0.00 0.00 55.36 52.46 2oka s GLN 85 Cb 0.16 -4.04 0.19 0.00 -1.09 0.00 0.00 33.01 28.23 2oka s GLN 85 CO 0.54 -1.07 1.21 0.50 -1.32 0.00 0.00 175.29 175.15 2oka s ARG 86 N 2.46 0.11 0.00 9.60 3.00 -1.24 -5.14 118.95 127.74 2oka s ARG 86 Ca 0.15 0.24 0.26 0.00 -1.00 0.00 0.00 55.73 55.39 2oka s ARG 86 Cb -0.18 0.12 0.72 0.00 0.00 0.00 0.00 34.95 35.61 2oka s ARG 86 CO 0.13 -0.03 1.56 -3.47 0.00 0.00 0.00 175.30 173.49