#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2obk n PRO 6 N 0.00 -0.38 -4.18 1.97 -0.04 -1.26 -3.84 135.00 127.27 2obk n PRO 6 Ca 0.00 -0.06 -0.16 0.00 -0.04 0.00 0.00 63.50 63.23 2obk n PRO 6 Cb 0.00 -1.99 -0.11 0.00 -0.04 0.00 0.00 33.50 31.36 2obk n PRO 6 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2obk s GLU 7 N -3.90 0.84 0.00 0.54 2.02 -1.26 0.70 118.70 117.64 2obk s GLU 7 Ca 0.59 -1.07 0.06 0.00 0.02 0.00 0.00 54.97 54.57 2obk s GLU 7 Cb -0.21 -0.68 -0.02 0.00 0.10 0.00 0.00 34.13 33.32 2obk s GLU 7 CO 0.65 0.13 -0.18 0.08 0.02 0.00 0.00 175.26 175.96 2obk s VAL 8 N -1.90 1.41 -0.03 2.63 1.01 -0.55 -1.16 120.40 121.80 2obk s VAL 8 Ca 0.02 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.21 2obk s VAL 8 Cb -0.06 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.12 2obk s VAL 8 CO 0.01 0.32 -0.20 0.27 0.00 0.00 0.00 175.10 175.51 2obk s ILE 9 N -0.52 1.61 -0.38 2.22 -4.36 -0.80 0.58 121.20 119.55 2obk s ILE 9 Ca 0.06 -0.85 0.03 0.00 -0.26 0.00 0.00 60.65 59.64 2obk s ILE 9 Cb -0.07 -1.36 0.11 0.00 1.25 0.00 0.00 42.46 42.39 2obk s ILE 9 CO -0.00 0.46 0.11 -0.63 0.24 0.00 0.00 174.94 175.12 2obk s ILE 10 N -0.27 2.18 0.19 8.37 1.01 0.58 -1.39 121.20 131.88 2obk s ILE 10 Ca 0.03 -2.49 -0.30 0.00 0.00 0.00 0.00 60.65 57.89 2obk s ILE 10 Cb -0.10 -2.59 -0.08 0.00 0.01 0.00 0.00 42.46 39.70 2obk s ILE 10 CO 0.01 -0.66 1.04 -0.89 0.00 0.00 0.00 174.94 174.43 2obk s THR 11 N 0.68 3.98 -0.05 2.92 2.01 -0.14 -2.28 115.64 122.77 2obk s THR 11 Ca 0.12 1.79 -0.06 0.00 0.31 0.00 0.00 61.69 63.86 2obk s THR 11 Cb -0.21 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.17 2obk s THR 11 CO -0.07 0.35 0.15 -0.72 -0.69 0.00 0.00 174.62 173.63 2obk s TYR 12 N -0.53 -0.12 -0.04 4.92 -0.85 -0.05 -2.75 117.35 117.92 2obk s TYR 12 Ca 0.46 0.30 -0.30 0.00 -0.52 0.00 0.00 57.07 57.01 2obk s TYR 12 Cb -0.28 0.03 -0.05 0.00 0.38 0.00 0.00 41.96 42.05 2obk s TYR 12 CO 0.34 -0.12 1.48 0.00 -1.52 0.00 0.00 175.55 175.73 2obk h THR 14 N 5.22 0.00 -0.22 0.00 2.02 -1.23 -3.09 112.91 115.61 2obk h THR 14 Ca -0.37 -0.34 0.06 0.00 0.77 0.00 0.00 66.41 66.53 2obk h THR 14 Cb 1.17 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 2obk h THR 14 CO 0.93 0.00 0.23 1.56 0.37 0.00 0.00 175.52 178.61 2obk h GLN 15 N -1.09 0.00 0.00 6.66 1.08 -1.93 0.12 115.11 119.95 2obk h GLN 15 Ca -0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2obk h GLN 15 Cb 0.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2obk h GLN 15 CO 0.13 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.01 2obk n GLN 17 N -1.40 -4.71 -0.14 0.00 1.13 0.41 -4.92 117.38 107.75 2obk n GLN 17 Ca 0.05 0.56 0.11 0.00 -1.94 0.00 0.00 57.00 55.77 2obk n GLN 17 Cb 0.13 -4.74 0.28 0.00 0.11 0.00 0.00 30.24 26.02 2obk n GLN 17 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 2obk n TRP 18 N -4.13 0.38 -0.24 1.08 8.01 -1.17 -4.33 117.44 117.04 2obk n TRP 18 Ca -0.01 -0.19 -0.00 0.00 -1.31 0.00 0.00 57.50 55.98 2obk n TRP 18 Cb 0.55 0.00 0.12 0.00 -2.01 0.00 0.00 31.31 29.97 2obk n TRP 18 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 2obk h LEU 19 N 3.38 0.54 -0.04 -0.99 5.85 -1.86 -1.98 115.31 120.20 2obk h LEU 19 Ca 0.00 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2obk h LEU 19 Cb 0.75 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 2obk h LEU 19 CO 0.00 0.33 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.02 2obk h LEU 20 N 0.67 -1.04 -0.92 2.25 3.38 -1.99 0.14 115.31 117.81 2obk h LEU 20 Ca 0.32 0.14 -0.11 0.00 0.09 0.00 0.00 57.88 58.32 2obk h LEU 20 Cb 0.25 0.42 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2obk h LEU 20 CO -0.21 -0.39 -0.47 0.08 0.09 0.00 0.00 178.44 177.53 2obk h ARG 21 N -0.47 0.15 -0.58 1.13 0.11 -1.85 -0.27 114.38 112.61 2obk h ARG 21 Ca 0.07 -0.08 -0.10 0.00 0.10 0.00 0.00 59.98 59.97 2obk h ARG 21 Cb 0.57 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.64 2obk h ARG 21 CO -0.31 0.60 -0.03 0.00 0.10 0.00 0.00 179.97 180.33 2obk h ALA 22 N 1.39 0.85 0.00 0.08 0.00 -0.91 -0.87 119.26 119.80 2obk h ALA 22 Ca 0.01 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 2obk h ALA 22 Cb 0.88 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2obk h ALA 22 CO 0.07 0.66 -0.71 0.00 0.00 0.00 0.00 179.25 179.27 2obk h ALA 23 N 1.02 0.60 0.36 0.00 0.00 -0.52 -2.54 119.26 118.17 2obk h ALA 23 Ca 0.16 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2obk h ALA 23 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2obk h ALA 23 CO 0.04 0.89 -0.17 2.35 0.00 0.00 0.00 179.25 182.35 2obk h TRP 24 N 0.00 -0.45 -1.08 0.00 7.01 -0.84 -1.65 115.95 118.93 2obk h TRP 24 Ca -0.01 -0.01 0.31 0.00 2.11 0.00 0.00 58.89 61.29 2obk h TRP 24 Cb 1.47 0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 28.64 2obk h TRP 24 CO 0.00 -0.28 0.78 -0.07 -2.79 0.00 0.00 178.44 176.08 2obk h LEU 25 N -0.72 0.02 -0.67 0.65 3.38 -1.26 0.50 115.31 117.21 2obk h LEU 25 Ca -0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2obk h LEU 25 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2obk h LEU 25 CO 0.08 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 178.46 2obk h ALA 26 N 1.46 0.86 0.19 1.53 0.00 -1.23 -1.31 119.26 120.77 2obk h ALA 26 Ca 0.52 -0.35 -0.31 0.00 0.00 0.00 0.00 54.91 54.76 2obk h ALA 26 Cb 2.05 -0.17 0.03 0.00 0.00 0.00 0.00 17.79 19.70 2obk h ALA 26 CO -0.02 0.64 -1.34 1.96 0.00 0.00 0.00 179.25 180.49 2obk h GLN 27 N 0.77 0.58 -0.99 0.00 4.20 0.88 -2.09 115.11 118.45 2obk h GLN 27 Ca 0.12 -0.87 0.15 0.00 0.06 0.00 0.00 58.65 58.10 2obk h GLN 27 Cb 0.68 0.31 -0.09 0.00 0.30 0.00 0.00 27.48 28.68 2obk h GLN 27 CO 0.05 1.41 0.61 0.93 -0.67 0.00 0.00 178.83 181.16 2obk h GLU 28 N 0.18 0.86 0.04 1.46 4.39 -0.85 0.22 114.58 120.89 2obk h GLU 28 Ca -0.22 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 2obk h GLU 28 Cb 2.02 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.48 2obk h GLU 28 CO 0.25 0.57 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.58 2obk h LEU 29 N 0.89 -0.05 -1.75 1.33 3.38 -1.20 -3.15 115.31 114.75 2obk h LEU 29 Ca 0.52 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2obk h LEU 29 Cb 0.64 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2obk h LEU 29 CO -0.31 0.38 -0.16 -0.07 0.09 0.00 0.00 178.44 178.37 2obk h LEU 30 N -0.49 0.00 -0.06 1.67 3.38 -0.62 -0.25 115.31 118.94 2obk h LEU 30 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2obk h LEU 30 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2obk h LEU 30 CO 0.01 0.16 -0.21 0.77 0.09 0.00 0.00 178.44 179.26 2obk h SER 31 N 0.00 0.29 1.21 -0.43 4.64 -0.64 -2.43 113.55 116.20 2obk h SER 31 Ca -0.00 -0.62 -0.11 0.00 -0.47 0.00 0.00 61.79 60.58 2obk h SER 31 Cb 0.39 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 2obk h SER 31 CO 0.02 0.87 -0.54 0.71 -0.87 0.00 0.00 176.83 177.02 2obk h THR 32 N -0.26 1.00 -0.71 2.95 1.35 -1.49 -3.32 112.91 112.42 2obk h THR 32 Ca -0.01 -2.18 -0.51 0.00 -0.55 0.00 0.00 66.41 63.16 2obk h THR 32 Cb 0.84 2.33 -0.36 0.00 -1.73 0.00 0.00 68.15 69.23 2obk h THR 32 CO 0.04 0.53 -0.49 0.49 -0.25 0.00 0.00 175.52 175.85 2obk n PHE 33 N -3.34 2.54 0.19 4.73 0.99 -0.11 -4.79 117.46 117.66 2obk n PHE 33 Ca 0.01 -2.26 0.18 0.00 -0.00 0.00 0.00 57.45 55.38 2obk n PHE 33 Cb 0.69 -0.52 0.82 0.00 -1.00 0.00 0.00 39.48 39.47 2obk n PHE 33 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2obk h SER 34 N 2.00 0.00 0.00 4.37 4.64 -1.54 -2.27 113.55 120.75 2obk h SER 34 Ca 0.37 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.68 2obk h SER 34 Cb 1.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.49 2obk h SER 34 CO 0.82 0.00 -1.74 0.47 -0.87 0.00 0.00 176.83 175.51 2obk n ASP 35 N -3.69 1.35 0.06 4.97 8.00 -1.26 -4.62 116.55 121.37 2obk n ASP 35 Ca 0.03 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.54 2obk n ASP 35 Cb 0.40 1.70 -0.06 0.00 -0.02 0.00 0.00 41.12 43.14 2obk n ASP 35 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2obk h ASP 36 N 0.00 0.00 -3.18 -2.24 3.32 -1.78 -3.47 116.42 109.07 2obk h ASP 36 Ca -0.01 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.39 2obk h ASP 36 Cb 0.77 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.18 2obk h ASP 36 CO 0.00 0.53 -0.57 -0.76 -1.72 0.00 0.00 179.24 176.72 2obk s LEU 37 N -5.90 3.83 0.05 1.55 1.43 -1.02 -4.19 118.68 114.43 2obk s LEU 37 Ca -0.01 0.16 -0.22 0.00 -1.03 0.00 0.00 54.13 53.03 2obk s LEU 37 Cb 0.08 -1.93 -0.13 0.00 0.03 0.00 0.00 46.19 44.24 2obk s LEU 37 CO 0.80 0.27 1.47 1.23 0.23 0.00 0.00 176.35 180.35 2obk h GLY 38 N 5.96 0.24 -5.45 -3.19 0.00 0.17 -3.47 103.07 97.33 2obk h GLY 38 Ca -0.44 -0.18 0.07 0.00 0.00 0.00 0.00 47.33 46.78 2obk h GLY 38 CO 0.64 0.17 0.50 -1.59 0.00 0.00 0.00 176.54 176.25 2obk s LYS 39 N -4.93 0.46 -0.19 4.80 -2.85 -1.24 -5.04 119.74 110.75 2obk s LYS 39 Ca -0.14 0.55 -0.05 0.00 -1.00 0.00 0.00 55.97 55.33 2obk s LYS 39 Cb 0.05 0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 36.02 2obk s LYS 39 CO 0.71 -0.05 -0.00 0.08 0.10 0.00 0.00 175.35 176.18 2obk s VAL 40 N 0.21 4.02 -0.01 1.79 1.01 -1.26 -1.49 120.40 124.67 2obk s VAL 40 Ca 0.04 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.76 2obk s VAL 40 Cb -0.05 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2obk s VAL 40 CO -0.07 0.44 -0.11 -0.44 0.00 0.00 0.00 175.10 174.92 2obk s SER 41 N 0.81 4.32 -0.26 3.32 0.01 0.20 -4.96 113.70 117.14 2obk s SER 41 Ca 0.00 -0.19 -0.10 0.00 1.31 0.00 0.00 55.95 56.97 2obk s SER 41 Cb -0.14 -0.94 -0.04 0.00 0.21 0.00 0.00 66.02 65.10 2obk s SER 41 CO 0.02 0.30 0.14 -0.76 0.41 0.00 0.00 173.24 173.35 2obk s LEU 42 N -1.16 3.85 -0.19 2.44 1.43 -1.26 -0.31 118.68 123.47 2obk s LEU 42 Ca 0.15 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 2obk s LEU 42 Cb -0.11 -2.05 0.04 0.00 0.03 0.00 0.00 46.19 44.10 2obk s LEU 42 CO 0.04 -0.01 -0.12 -0.70 0.23 0.00 0.00 176.35 175.79 2obk s GLU 43 N 1.49 2.21 0.60 1.70 2.12 -0.96 -4.96 118.70 120.88 2obk s GLU 43 Ca 0.07 -0.80 -0.19 0.00 0.36 0.00 0.00 54.97 54.40 2obk s GLU 43 Cb -0.15 -2.38 -0.03 0.00 0.26 0.00 0.00 34.13 31.83 2obk s GLU 43 CO 0.07 -0.36 1.28 -2.14 -0.54 0.00 0.00 175.26 173.56 2obk s PRO 44 N 1.39 2.88 0.22 4.30 0.02 -1.26 -0.87 135.00 141.68 2obk s PRO 44 Ca 0.01 2.02 -0.08 0.00 0.02 0.00 0.00 61.00 62.97 2obk s PRO 44 Cb -0.15 -2.00 0.03 0.00 0.02 0.00 0.00 34.50 32.40 2obk s PRO 44 CO -0.09 -1.33 0.44 0.00 -0.33 0.00 0.00 177.00 175.69 2obk n ALA 45 N -1.53 -0.95 -4.18 -1.55 0.00 0.83 -4.70 120.51 108.43 2obk n ALA 45 Ca 0.13 -0.74 -0.22 0.00 0.00 0.00 0.00 53.44 52.62 2obk n ALA 45 Cb 0.48 0.59 -0.07 0.00 0.00 0.00 0.00 19.45 20.45 2obk n ALA 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2obk n THR 46 N -0.31 0.00 -3.27 0.00 -2.24 -1.26 -0.65 114.28 106.55 2obk n THR 46 Ca -0.05 -2.22 -0.12 0.00 -2.27 0.00 0.00 64.05 59.39 2obk n THR 46 Cb 0.34 1.07 0.01 0.00 -2.10 0.00 0.00 70.33 69.65 2obk n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2obk n GLY 47 N -0.58 -1.13 2.32 3.38 0.00 -1.26 -2.89 105.19 105.03 2obk n GLY 47 Ca 0.06 0.72 -0.01 0.00 0.00 0.00 0.00 46.02 46.79 2obk n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2obk n GLY 48 N -1.32 -0.43 3.72 -0.02 0.00 -1.26 -4.88 105.19 101.00 2obk n GLY 48 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2obk n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2obk s ALA 49 N -1.92 3.27 -0.35 4.61 0.00 -1.14 -4.90 121.76 121.32 2obk s ALA 49 Ca 0.00 0.34 0.04 0.00 0.00 0.00 0.00 51.96 52.34 2obk s ALA 49 Cb 0.00 -3.13 0.16 0.00 0.00 0.00 0.00 23.12 20.16 2obk s ALA 49 CO 0.00 -0.12 0.44 0.12 0.00 0.00 0.00 175.76 176.20 2obk s PHE 50 N 0.68 -0.86 -0.04 0.00 5.36 -1.26 0.09 117.98 121.95 2obk s PHE 50 Ca 0.44 -0.18 0.03 0.00 -0.96 0.00 0.00 56.93 56.26 2obk s PHE 50 Cb -0.20 -0.16 0.01 0.00 -0.34 0.00 0.00 43.02 42.32 2obk s PHE 50 CO 0.23 -1.02 -0.11 0.50 -1.46 0.00 0.00 175.22 173.37 2obk s ARG 51 N 1.93 1.28 -0.04 10.12 3.52 -1.11 -0.71 118.95 133.93 2obk s ARG 51 Ca 0.14 -0.36 0.06 0.00 -0.13 0.00 0.00 55.73 55.43 2obk s ARG 51 Cb -0.12 -1.14 -0.02 0.00 -1.56 0.00 0.00 34.95 32.12 2obk s ARG 51 CO -0.14 0.09 -0.21 0.42 -0.81 0.00 0.00 175.30 174.65 2obk s ILE 52 N 0.36 2.45 0.14 4.11 1.01 0.11 -0.97 121.20 128.42 2obk s ILE 52 Ca -0.07 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 59.65 2obk s ILE 52 Cb -0.12 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 2obk s ILE 52 CO 0.02 0.58 -0.03 0.42 0.00 0.00 0.00 174.94 175.93 2obk s THR 53 N -0.55 0.66 -0.25 2.92 -4.23 -0.48 -1.42 115.64 112.29 2obk s THR 53 Ca 0.08 -1.96 -0.04 0.00 -1.18 0.00 0.00 61.69 58.60 2obk s THR 53 Cb -0.11 -1.91 0.08 0.00 1.34 0.00 0.00 72.50 71.90 2obk s THR 53 CO 0.00 -0.66 0.10 0.00 -0.54 0.00 0.00 174.62 173.52 2obk n ASP 55 N 5.16 -4.80 0.00 0.00 9.92 -0.31 -2.39 116.55 124.14 2obk n ASP 55 Ca -0.06 -0.29 0.00 0.00 -0.53 0.00 0.00 54.79 53.91 2obk n ASP 55 Cb 0.45 -3.49 0.00 0.00 -0.64 0.00 0.00 41.12 37.44 2obk n ASP 55 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2obk n GLY 56 N -1.41 2.96 3.71 0.44 0.00 -1.26 -5.00 105.19 104.64 2obk n GLY 56 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 2obk n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2obk s VAL 57 N -1.64 4.91 0.08 1.61 1.01 -1.00 -4.97 120.40 120.40 2obk s VAL 57 Ca 0.00 1.83 -0.31 0.00 0.00 0.00 0.00 61.98 63.50 2obk s VAL 57 Cb 0.00 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 2obk s VAL 57 CO 0.00 0.21 1.30 -1.58 0.00 0.00 0.00 175.10 175.03 2obk s GLN 58 N 0.85 4.37 0.00 2.72 0.74 -1.26 -0.37 119.66 126.71 2obk s GLN 58 Ca 0.46 1.93 0.00 0.00 0.05 0.00 0.00 55.36 57.80 2obk s GLN 58 Cb -0.20 -3.31 0.00 0.00 1.10 0.00 0.00 33.01 30.60 2obk s GLN 58 CO 0.24 -0.36 0.23 0.44 -0.55 0.00 0.00 175.29 175.29 2obk n ILE 59 N 3.98 0.00 -3.64 -2.34 -5.35 -0.51 -4.94 119.36 106.56 2obk n ILE 59 Ca 0.10 -0.42 -0.06 0.00 -0.27 0.00 0.00 62.75 62.10 2obk n ILE 59 Cb 0.44 1.08 -0.07 0.00 -1.74 0.00 0.00 39.64 39.36 2obk n ILE 59 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 2obk s TRP 60 N -0.39 -0.53 -0.23 4.28 -0.11 -1.13 -4.97 118.94 115.86 2obk s TRP 60 Ca 0.00 1.14 -0.04 0.00 1.22 0.00 0.00 56.10 58.43 2obk s TRP 60 Cb 0.00 0.36 0.12 0.00 -1.50 0.00 0.00 33.47 32.46 2obk s TRP 60 CO 0.00 -0.26 0.39 -2.00 -4.62 0.00 0.00 176.95 170.46 2obk s GLU 61 N 0.81 0.34 0.00 5.86 -6.30 -1.26 0.09 118.70 118.25 2obk s GLU 61 Ca -0.03 0.66 0.00 0.00 -2.50 0.00 0.00 54.97 53.10 2obk s GLU 61 Cb -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 34.13 33.82 2obk s GLU 61 CO -0.11 -0.55 0.00 -2.13 0.02 0.00 0.00 175.26 172.49 2obk n ARG 62 N 5.37 0.00 0.34 4.30 0.00 0.11 -0.81 116.66 125.97 2obk n ARG 62 Ca -0.05 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.62 2obk n ARG 62 Cb 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.86 2obk n ARG 62 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2obk h LYS 63 N 0.00 -1.02 -1.00 -0.14 1.57 -1.87 0.14 116.57 114.24 2obk h LYS 63 Ca 0.00 0.07 0.17 0.00 -1.87 0.00 0.00 60.65 59.02 2obk h LYS 63 Cb 0.00 0.23 -0.10 0.00 0.08 0.00 0.00 32.23 32.44 2obk h LYS 63 CO 0.00 -0.68 0.62 0.00 -0.57 0.00 0.00 179.45 178.82 2obk h ALA 64 N -0.91 1.63 -0.38 3.86 0.00 -1.56 -1.77 119.26 120.13 2obk h ALA 64 Ca -0.08 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2obk h ALA 64 Cb 0.89 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2obk h ALA 64 CO 0.00 0.04 0.00 -0.25 0.00 0.00 0.00 179.25 179.05 2obk n ASP 65 N -4.71 3.46 -1.63 0.00 8.00 0.01 -4.99 116.55 116.68 2obk n ASP 65 Ca 0.22 -2.00 -0.10 0.00 0.71 0.00 0.00 54.79 53.62 2obk n ASP 65 Cb 0.50 -0.24 0.02 0.00 -0.02 0.00 0.00 41.12 41.38 2obk n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2obk n GLY 66 N 1.51 0.20 0.00 0.44 0.00 0.15 -4.84 105.19 102.64 2obk n GLY 66 Ca 0.19 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2obk n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2obk n GLY 67 N -1.13 0.39 3.27 -0.02 0.00 0.26 -5.02 105.19 102.94 2obk n GLY 67 Ca -0.03 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 2obk n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2obk s PHE 68 N -0.23 2.26 0.75 1.61 0.08 -1.26 -4.20 117.98 117.00 2obk s PHE 68 Ca 0.00 -0.54 -0.13 0.00 0.12 0.00 0.00 56.93 56.38 2obk s PHE 68 Cb 0.00 -1.47 0.05 0.00 -0.57 0.00 0.00 43.02 41.03 2obk s PHE 68 CO 0.00 -0.12 1.14 -1.25 -0.10 0.00 0.00 175.22 174.89 2obk s PRO 69 N -0.37 2.15 0.32 0.24 0.04 -1.26 -5.03 135.00 131.09 2obk s PRO 69 Ca 0.03 1.47 -0.10 0.00 0.04 0.00 0.00 61.00 62.45 2obk s PRO 69 Cb -0.11 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 2obk s PRO 69 CO 0.01 -1.77 0.66 -1.21 0.04 0.00 0.00 177.00 174.74 2obk s GLU 70 N -4.34 3.78 0.20 4.56 2.02 -1.26 -4.95 118.70 118.72 2obk s GLU 70 Ca 0.68 0.34 -0.11 0.00 0.02 0.00 0.00 54.97 55.89 2obk s GLU 70 Cb -0.23 -2.52 0.14 0.00 0.10 0.00 0.00 34.13 31.63 2obk s GLU 70 CO 0.49 0.13 1.87 0.00 0.02 0.00 0.00 175.26 177.78 2obk h ALA 71 N 1.80 0.91 -0.21 5.21 0.00 -2.00 -2.03 119.26 122.93 2obk h ALA 71 Ca -0.47 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 2obk h ALA 71 Cb 1.18 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2obk h ALA 71 CO 0.66 0.33 -0.23 1.57 0.00 0.00 0.00 179.25 181.58 2obk h LYS 72 N 0.97 0.37 0.19 0.00 2.10 -2.00 -2.68 116.57 115.53 2obk h LYS 72 Ca 0.26 -0.13 -0.01 0.00 -2.00 0.00 0.00 60.65 58.77 2obk h LYS 72 Cb -0.11 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.19 2obk h LYS 72 CO -0.06 0.59 -0.09 0.28 -2.00 0.00 0.00 179.45 178.17 2obk h VAL 73 N 0.34 0.91 -0.75 0.07 2.07 -1.83 -2.35 116.25 114.71 2obk h VAL 73 Ca 0.05 -0.71 0.07 0.00 0.82 0.00 0.00 66.70 66.93 2obk h VAL 73 Cb 0.59 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 2obk h VAL 73 CO 0.04 0.16 0.43 0.25 0.02 0.00 0.00 177.57 178.47 2obk h LEU 74 N -0.62 0.64 -0.58 2.57 5.85 -1.37 -0.53 115.31 121.27 2obk h LEU 74 Ca -0.03 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2obk h LEU 74 Cb 0.45 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2obk h LEU 74 CO 0.04 0.40 0.38 0.11 -0.34 0.00 0.00 178.44 179.03 2obk h LYS 75 N 0.77 0.78 -0.28 1.25 1.57 -1.49 -1.66 116.57 117.50 2obk h LYS 75 Ca 0.34 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.88 2obk h LYS 75 Cb 0.22 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 2obk h LYS 75 CO -0.19 0.53 -0.53 0.37 -0.57 0.00 0.00 179.45 179.06 2obk h GLN 76 N 0.79 0.83 -0.41 3.15 5.75 -0.85 -0.92 115.11 123.45 2obk h GLN 76 Ca 0.21 -0.51 -0.03 0.00 -0.15 0.00 0.00 58.65 58.17 2obk h GLN 76 Cb -0.07 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 2obk h GLN 76 CO -0.04 1.15 0.13 0.00 -2.65 0.00 0.00 178.83 177.41 2obk h ARG 77 N 0.64 0.60 -0.01 1.69 3.08 -0.93 0.22 114.38 119.67 2obk h ARG 77 Ca 0.02 -0.09 -0.17 0.00 0.07 0.00 0.00 59.98 59.80 2obk h ARG 77 Cb 1.12 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 2obk h ARG 77 CO 0.12 0.53 -0.78 0.28 -1.07 0.00 0.00 179.97 179.04 2obk h VAL 78 N 0.59 1.49 0.10 2.04 2.07 -1.16 -1.69 116.25 119.70 2obk h VAL 78 Ca 0.14 -2.49 -0.01 0.00 0.82 0.00 0.00 66.70 65.17 2obk h VAL 78 Cb 0.18 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2obk h VAL 78 CO -0.01 0.72 -0.05 -0.09 0.02 0.00 0.00 177.57 178.16 2obk h ARG 79 N 0.08 -0.13 -0.83 1.57 9.65 0.28 0.56 114.38 125.56 2obk h ARG 79 Ca -0.02 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.89 2obk h ARG 79 Cb 1.37 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.94 2obk h ARG 79 CO 0.11 0.03 0.53 -0.44 2.80 0.00 0.00 179.97 183.01 2obk h ASP 80 N -0.27 0.90 0.16 -3.80 3.45 -0.53 -2.69 116.42 113.63 2obk h ASP 80 Ca -0.01 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.43 2obk h ASP 80 Cb 0.22 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.79 2obk h ASP 80 CO 0.02 0.63 -0.08 -0.61 -1.57 0.00 0.00 179.24 177.64 2obk h GLN 81 N 1.06 -0.20 -0.43 3.56 5.75 -1.02 -2.91 115.11 120.92 2obk h GLN 81 Ca 0.32 0.01 0.12 0.00 -0.15 0.00 0.00 58.65 58.96 2obk h GLN 81 Cb -0.03 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 2obk h GLN 81 CO -0.10 -0.00 0.44 0.82 -2.65 0.00 0.00 178.83 177.34 2obk h ILE 82 N -0.38 0.40 0.00 2.39 2.04 -0.58 -3.43 117.51 117.95 2obk h ILE 82 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2obk h ILE 82 Cb 0.30 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2obk h ILE 82 CO 0.04 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.52 2obk n ASP 83 N -3.76 0.00 0.00 1.72 -0.08 -1.06 -5.10 116.55 108.26 2obk n ASP 83 Ca 0.08 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.38 2obk n ASP 83 Cb 0.63 0.00 0.15 0.00 2.34 0.00 0.00 41.12 44.23 2obk n ASP 83 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67