#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk9 n GLY -7 N 0.00 -1.01 3.53 3.03 0.00 -1.26 -4.98 105.19 104.50 2dk9 n GLY -7 Ca 0.00 -0.31 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 2dk9 n GLY -7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dk9 s HIS -6 N -2.63 0.12 0.02 1.61 0.09 -1.26 -5.09 115.29 108.16 2dk9 s HIS -6 Ca -0.09 0.47 -0.13 0.00 -0.00 0.00 0.00 55.06 55.30 2dk9 s HIS -6 Cb 0.07 -3.36 0.02 0.00 -0.00 0.00 0.00 32.58 29.31 2dk9 s HIS -6 CO 0.84 -4.18 0.29 -3.38 -0.00 0.00 0.00 174.74 168.30 2dk9 s HIS -5 N -2.87 -0.11 -0.25 1.40 0.00 -1.26 -5.05 115.29 107.16 2dk9 s HIS -5 Ca 0.71 0.04 -0.06 0.00 -3.00 0.00 0.00 55.06 52.74 2dk9 s HIS -5 Cb -0.09 0.08 0.02 0.00 -4.00 0.00 0.00 32.58 28.59 2dk9 s HIS -5 CO 0.56 -0.45 0.12 0.72 -1.00 0.00 0.00 174.74 174.69 2dk9 n HIS -4 N 0.84 -4.23 0.58 0.38 -0.00 -1.26 -4.88 115.22 106.65 2dk9 n HIS -4 Ca -0.20 2.18 0.13 0.00 -0.00 0.00 0.00 57.72 59.83 2dk9 n HIS -4 Cb 0.58 -3.96 0.43 0.00 -0.00 0.00 0.00 29.99 27.05 2dk9 n HIS -4 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2dk9 n HIS -3 N 1.19 0.86 0.00 4.41 -0.00 -1.26 -4.91 115.22 115.51 2dk9 n HIS -3 Ca -0.21 0.27 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 2dk9 n HIS -3 Cb 0.33 -0.94 0.00 0.00 -0.00 0.00 0.00 29.99 29.37 2dk9 n HIS -3 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2dk9 n HIS -2 N -2.23 0.00 -1.25 4.41 -0.00 -1.26 -3.68 115.22 111.21 2dk9 n HIS -2 Ca 0.05 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.08 2dk9 n HIS -2 Cb 0.37 0.00 0.21 0.00 -0.12 0.00 0.00 29.99 30.45 2dk9 n HIS -2 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2dk9 n HIS -1 N 0.00 2.36 -2.21 1.57 -0.00 -1.26 -4.38 115.22 111.29 2dk9 n HIS -1 Ca 0.00 -1.64 -0.01 0.00 -0.00 0.00 0.00 57.72 56.07 2dk9 n HIS -1 Cb 0.00 -0.76 0.01 0.00 -0.00 0.00 0.00 29.99 29.24 2dk9 n HIS -1 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 2dk9 n MET 0 N -0.96 0.22 0.00 -1.40 0.00 -1.24 -4.99 117.12 108.75 2dk9 n MET 0 Ca 0.48 -0.28 0.00 0.00 -0.00 0.00 0.00 57.70 57.90 2dk9 n MET 0 Cb 1.43 0.25 0.00 0.00 0.00 0.00 0.00 33.22 34.90 2dk9 n MET 0 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2dk9 n GLY 1 N -0.25 -0.68 0.20 -5.12 0.00 -1.26 -4.60 105.19 93.49 2dk9 n GLY 1 Ca -0.05 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2dk9 n GLY 1 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dk9 h SER 2 N 0.00 0.17 0.02 1.61 0.02 -1.95 -0.19 113.55 113.22 2dk9 h SER 2 Ca 0.00 -0.06 -0.27 0.00 -0.84 0.00 0.00 61.79 60.62 2dk9 h SER 2 Cb 0.00 -0.05 0.02 0.00 0.14 0.00 0.00 62.40 62.52 2dk9 h SER 2 CO 0.00 0.50 -1.08 0.00 -1.14 0.00 0.00 176.83 175.11 2dk9 h ALA 3 N 1.52 0.10 0.00 3.77 0.00 -1.92 -3.14 119.26 119.59 2dk9 h ALA 3 Ca 0.02 -0.71 -0.12 0.00 0.00 0.00 0.00 54.91 54.10 2dk9 h ALA 3 Cb 0.66 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2dk9 h ALA 3 CO 0.05 0.68 -0.58 0.78 0.00 0.00 0.00 179.25 180.18 2dk9 h GLY 4 N 0.37 0.00 2.00 0.00 0.00 -1.83 -3.07 103.07 100.55 2dk9 h GLY 4 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 2dk9 h GLY 4 CO 0.21 0.00 -0.14 -0.91 0.00 0.00 0.00 176.54 175.70 2dk9 h THR 5 N 0.00 0.33 -0.52 4.70 1.35 -1.08 -3.08 112.91 114.61 2dk9 h THR 5 Ca -0.01 -0.97 0.09 0.00 -0.55 0.00 0.00 66.41 64.98 2dk9 h THR 5 Cb 1.20 1.74 -0.03 0.00 -1.73 0.00 0.00 68.15 69.33 2dk9 h THR 5 CO 0.08 0.14 0.35 1.56 -0.25 0.00 0.00 175.52 177.40 2dk9 h GLN 6 N 0.00 0.32 -0.26 4.72 4.20 -1.48 -0.69 115.11 121.93 2dk9 h GLN 6 Ca -0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2dk9 h GLN 6 Cb 0.73 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2dk9 h GLN 6 CO 0.02 0.21 0.12 1.49 -0.67 0.00 0.00 178.83 180.00 2dk9 h GLU 7 N 0.33 0.38 -0.05 1.46 4.81 -1.72 0.34 114.58 120.13 2dk9 h GLU 7 Ca 0.24 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.28 2dk9 h GLU 7 Cb 0.51 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2dk9 h GLU 7 CO -0.06 0.39 -0.58 1.05 -0.73 0.00 0.00 179.01 179.09 2dk9 h GLU 8 N 0.28 0.14 -0.11 1.92 4.11 -1.54 -2.45 114.58 116.93 2dk9 h GLU 8 Ca 0.09 -0.09 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 2dk9 h GLU 8 Cb 0.14 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2dk9 h GLU 8 CO -0.01 0.68 -0.06 -0.07 0.07 0.00 0.00 179.01 179.63 2dk9 h LEU 9 N 0.11 0.25 -1.23 3.06 -0.00 -0.90 -2.37 115.31 114.23 2dk9 h LEU 9 Ca -0.00 -0.41 -0.04 0.00 -0.00 0.00 0.00 57.88 57.42 2dk9 h LEU 9 Cb 1.05 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.62 2dk9 h LEU 9 CO 0.08 0.61 0.05 0.25 -0.00 0.00 0.00 178.44 179.43 2dk9 h LEU 10 N -0.11 0.54 -0.79 1.67 5.85 -0.93 -2.35 115.31 119.19 2dk9 h LEU 10 Ca 0.03 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 2dk9 h LEU 10 Cb 0.51 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2dk9 h LEU 10 CO 0.02 0.57 -0.04 0.03 -0.34 0.00 0.00 178.44 178.68 2dk9 h ARG 11 N 0.56 0.88 -0.47 1.25 3.08 -1.36 -2.24 114.38 116.08 2dk9 h ARG 11 Ca 0.13 -0.27 -0.12 0.00 0.07 0.00 0.00 59.98 59.79 2dk9 h ARG 11 Cb 0.28 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2dk9 h ARG 11 CO 0.00 0.90 -0.18 2.35 -1.07 0.00 0.00 179.97 181.97 2dk9 h TRP 12 N 0.81 1.04 -0.32 3.04 7.01 -0.95 -1.07 115.95 125.50 2dk9 h TRP 12 Ca 0.15 -0.23 -0.03 0.00 2.11 0.00 0.00 58.89 60.88 2dk9 h TRP 12 Cb 0.53 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 2dk9 h TRP 12 CO 0.03 1.02 0.07 0.00 -2.79 0.00 0.00 178.44 176.77 2dk9 h GLN 14 N 0.37 0.93 -0.26 0.00 -0.00 -1.35 -0.62 115.11 114.18 2dk9 h GLN 14 Ca 0.10 -0.36 -0.04 0.00 -0.00 0.00 0.00 58.65 58.35 2dk9 h GLN 14 Cb 0.31 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.73 2dk9 h GLN 14 CO 0.00 1.02 -0.01 1.49 0.00 0.00 0.00 178.83 181.33 2dk9 h GLU 15 N 0.82 0.46 -0.07 1.69 4.81 -1.06 -1.64 114.58 119.59 2dk9 h GLU 15 Ca 0.12 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 2dk9 h GLU 15 Cb 0.70 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2dk9 h GLU 15 CO 0.05 0.64 -0.30 1.96 -0.73 0.00 0.00 179.01 180.63 2dk9 h GLN 16 N 0.24 0.13 -0.24 1.92 1.08 -0.89 -1.94 115.11 115.42 2dk9 h GLN 16 Ca 0.07 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2dk9 h GLN 16 Cb 0.43 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2dk9 h GLN 16 CO 0.01 0.42 0.00 2.41 -0.95 0.00 0.00 178.83 180.73 2dk9 n THR 17 N -4.15 0.31 -2.73 -0.54 -1.04 -0.25 -4.80 114.28 101.08 2dk9 n THR 17 Ca -0.01 -0.37 -0.42 0.00 -2.04 0.00 0.00 64.05 61.21 2dk9 n THR 17 Cb 0.37 0.25 -0.03 0.00 -1.82 0.00 0.00 70.33 69.10 2dk9 n THR 17 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dk9 s ALA 18 N -1.69 3.23 0.00 2.41 0.00 -0.64 -4.11 121.76 120.97 2dk9 s ALA 18 Ca 0.26 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.69 2dk9 s ALA 18 Cb 0.14 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.93 2dk9 s ALA 18 CO 0.20 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2dk9 n GLY 19 N 2.97 1.15 3.65 0.00 0.00 -1.26 -5.04 105.19 106.66 2dk9 n GLY 19 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2dk9 n GLY 19 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dk9 s TYR 20 N 0.00 3.35 -0.61 1.61 1.51 -1.26 -4.94 117.35 117.00 2dk9 s TYR 20 Ca 0.00 1.13 -0.06 0.00 -1.01 0.00 0.00 57.07 57.13 2dk9 s TYR 20 Cb 0.00 -3.00 -0.06 0.00 -0.11 0.00 0.00 41.96 38.79 2dk9 s TYR 20 CO 0.00 -0.33 1.76 -2.30 -1.11 0.00 0.00 175.55 173.58 2dk9 n PRO 21 N 5.66 1.38 0.00 -1.71 -0.02 -1.26 -2.77 135.00 136.28 2dk9 n PRO 21 Ca 0.04 -1.20 0.00 0.00 -2.02 0.00 0.00 63.50 60.32 2dk9 n PRO 21 Cb 0.48 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 2dk9 n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dk9 n GLY 22 N 3.94 0.00 2.70 -1.23 0.00 -1.26 -5.15 105.19 104.19 2dk9 n GLY 22 Ca 0.32 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.15 2dk9 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dk9 s VAL 23 N 0.00 -0.13 -0.11 1.61 1.01 -1.12 -5.14 120.40 116.53 2dk9 s VAL 23 Ca 0.00 0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.41 2dk9 s VAL 23 Cb 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.22 2dk9 s VAL 23 CO 0.00 0.17 -0.20 -1.00 0.00 0.00 0.00 175.10 174.07 2dk9 s HIS 24 N 2.10 2.27 -0.37 5.22 3.76 -1.26 -4.88 115.29 122.14 2dk9 s HIS 24 Ca 0.04 -1.01 0.04 0.00 -0.15 0.00 0.00 55.06 53.97 2dk9 s HIS 24 Cb -0.12 -1.57 0.11 0.00 1.11 0.00 0.00 32.58 32.11 2dk9 s HIS 24 CO -0.03 -0.46 0.09 0.08 -0.85 0.00 0.00 174.74 173.56 2dk9 s VAL 25 N 0.66 2.21 0.00 -0.90 1.01 -1.26 -4.85 120.40 117.27 2dk9 s VAL 25 Ca -0.12 -2.43 0.04 0.00 0.00 0.00 0.00 61.98 59.46 2dk9 s VAL 25 Cb -0.16 -2.62 0.06 0.00 0.00 0.00 0.00 36.38 33.66 2dk9 s VAL 25 CO 0.03 -0.64 0.84 -0.24 0.00 0.00 0.00 175.10 175.09 2dk9 n SER 26 N 4.11 -0.10 -4.00 3.32 2.88 -1.26 -4.20 113.62 114.37 2dk9 n SER 26 Ca 0.04 -1.62 -0.12 0.00 -1.33 0.00 0.00 58.87 55.84 2dk9 n SER 26 Cb 0.40 -0.02 -0.12 0.00 -0.75 0.00 0.00 64.21 63.73 2dk9 n SER 26 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2dk9 s ASP 27 N -0.77 0.50 -0.49 -3.46 1.11 -1.26 -5.04 116.67 107.25 2dk9 s ASP 27 Ca 0.05 -0.44 -0.00 0.00 0.18 0.00 0.00 52.55 52.34 2dk9 s ASP 27 Cb 0.06 0.05 0.42 0.00 1.07 0.00 0.00 42.92 44.52 2dk9 s ASP 27 CO -0.03 -0.20 1.95 0.18 1.18 0.00 0.00 175.17 178.25 2dk9 n LEU 28 N 1.81 6.90 0.00 1.23 7.99 -1.26 -4.19 117.00 129.49 2dk9 n LEU 28 Ca -0.21 -3.72 0.00 0.00 -0.01 0.00 0.00 56.01 52.07 2dk9 n LEU 28 Cb 0.56 -0.94 0.00 0.00 -0.11 0.00 0.00 43.42 42.93 2dk9 n LEU 28 CO 0.21 1.25 0.00 -0.24 -1.51 0.00 0.00 177.39 177.10 2dk9 n SER 29 N -0.59 0.00 0.13 -1.43 2.88 -1.26 -4.78 113.62 108.57 2dk9 n SER 29 Ca 0.51 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 58.24 2dk9 n SER 29 Cb 0.89 0.00 0.77 0.00 -0.75 0.00 0.00 64.21 65.12 2dk9 n SER 29 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dk9 h SER 30 N 0.00 0.00 0.37 -3.46 0.02 -1.87 0.16 113.55 108.77 2dk9 h SER 30 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2dk9 h SER 30 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2dk9 h SER 30 CO 0.00 0.00 -0.24 0.28 -1.14 0.00 0.00 176.83 175.73 2dk9 h SER 31 N 0.00 0.00 -0.28 3.07 0.02 -1.89 -2.57 113.55 111.90 2dk9 h SER 31 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2dk9 h SER 31 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2dk9 h SER 31 CO -0.00 0.24 0.00 0.79 -1.14 0.00 0.00 176.83 176.72 2dk9 n TRP 32 N -3.94 0.87 0.28 3.45 7.02 0.54 -3.93 117.44 121.73 2dk9 n TRP 32 Ca -0.02 -0.80 -0.16 0.00 -1.02 0.00 0.00 57.50 55.49 2dk9 n TRP 32 Cb 0.32 -0.26 -0.08 0.00 -2.42 0.00 0.00 31.31 28.86 2dk9 n TRP 32 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2dk9 h ALA 33 N 1.88 -0.79 -0.22 6.99 0.00 -1.07 -2.38 119.26 123.67 2dk9 h ALA 33 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2dk9 h ALA 33 Cb 1.32 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2dk9 h ALA 33 CO 0.19 -0.96 0.00 -0.40 0.00 0.00 0.00 179.25 178.07 2dk9 n ASP 34 N -5.45 1.39 -1.47 0.00 5.68 -1.26 -4.51 116.55 110.92 2dk9 n ASP 34 Ca -0.11 -1.85 -0.13 0.00 -0.50 0.00 0.00 54.79 52.19 2dk9 n ASP 34 Cb 0.35 -0.14 -0.01 0.00 -1.14 0.00 0.00 41.12 40.18 2dk9 n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dk9 n GLY 35 N 0.98 -0.07 0.19 6.12 0.00 -0.90 -4.51 105.19 107.02 2dk9 n GLY 35 Ca 0.12 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 2dk9 n GLY 35 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dk9 h LEU 36 N 0.00 0.81 -0.24 0.99 3.38 -1.82 -2.51 115.31 115.92 2dk9 h LEU 36 Ca -0.31 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.04 2dk9 h LEU 36 Cb 1.21 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2dk9 h LEU 36 CO 0.37 1.41 0.13 0.00 0.09 0.00 0.00 178.44 180.44 2dk9 h ALA 37 N 0.55 0.30 -0.27 1.53 0.00 -1.92 0.62 119.26 120.09 2dk9 h ALA 37 Ca -0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2dk9 h ALA 37 Cb 1.57 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2dk9 h ALA 37 CO 0.18 -0.17 0.03 1.25 0.00 0.00 0.00 179.25 180.54 2dk9 h LEU 38 N 0.27 0.44 -0.96 0.00 5.85 -1.92 -2.56 115.31 116.43 2dk9 h LEU 38 Ca 0.08 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.43 2dk9 h LEU 38 Cb 0.07 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2dk9 h LEU 38 CO -0.01 0.61 -0.24 0.00 -0.34 0.00 0.00 178.44 178.46 2dk9 h ALA 40 N 1.33 0.80 0.15 0.00 0.00 0.44 0.27 119.26 122.26 2dk9 h ALA 40 Ca 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2dk9 h ALA 40 Cb 0.65 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2dk9 h ALA 40 CO 0.05 0.24 -0.07 -0.07 0.00 0.00 0.00 179.25 179.39 2dk9 h LEU 41 N 0.85 -0.18 -0.26 0.00 4.07 -1.28 -2.33 115.31 116.18 2dk9 h LEU 41 Ca 0.23 -0.25 0.02 0.00 0.08 0.00 0.00 57.88 57.95 2dk9 h LEU 41 Cb -0.09 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.67 2dk9 h LEU 41 CO -0.05 0.17 0.13 0.58 -1.08 0.00 0.00 178.44 178.19 2dk9 h VAL 42 N -0.54 0.99 -0.90 1.22 2.07 -1.34 -2.16 116.25 115.59 2dk9 h VAL 42 Ca -0.02 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.52 2dk9 h VAL 42 Cb 0.42 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 2dk9 h VAL 42 CO 0.03 0.05 0.58 0.22 0.02 0.00 0.00 177.57 178.47 2dk9 h TYR 43 N 0.28 0.93 -0.57 1.57 3.20 -0.48 0.67 116.97 122.57 2dk9 h TYR 43 Ca 0.11 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 2dk9 h TYR 43 Cb 0.03 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 2dk9 h TYR 43 CO -0.10 0.40 0.23 -0.09 -1.64 0.00 0.00 178.16 176.97 2dk9 h ARG 44 N 0.84 0.84 0.03 1.82 1.12 -0.82 0.82 114.38 119.04 2dk9 h ARG 44 Ca 0.43 -0.15 -0.22 0.00 -1.11 0.00 0.00 59.98 58.93 2dk9 h ARG 44 Cb 0.50 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.32 2dk9 h ARG 44 CO -0.19 0.73 -0.99 -0.07 -3.11 0.00 0.00 179.97 176.33 2dk9 h LEU 45 N 0.78 0.31 -5.70 3.80 -0.00 -0.82 -3.41 115.31 110.27 2dk9 h LEU 45 Ca 0.19 -0.28 -0.34 0.00 -0.00 0.00 0.00 57.88 57.46 2dk9 h LEU 45 Cb 0.19 -0.10 -0.26 0.00 -0.00 0.00 0.00 40.66 40.50 2dk9 h LEU 45 CO -0.02 1.13 -0.70 -1.10 -0.00 0.00 0.00 178.44 177.75 2dk9 s GLN 46 N -3.02 0.96 0.19 1.13 -1.52 0.22 -5.00 119.66 112.61 2dk9 s GLN 46 Ca -0.03 -1.42 -0.04 0.00 -1.95 0.00 0.00 55.36 51.92 2dk9 s GLN 46 Cb 0.09 -0.63 0.12 0.00 -0.22 0.00 0.00 33.01 32.37 2dk9 s GLN 46 CO 0.85 -1.33 1.53 -1.00 -0.25 0.00 0.00 175.29 175.08 2dk9 h PRO 47 N 5.53 0.65 0.00 2.91 0.13 0.50 -3.06 132.00 138.66 2dk9 h PRO 47 Ca 0.14 -0.36 -0.04 0.00 -0.87 0.00 0.00 66.00 64.87 2dk9 h PRO 47 Cb 1.03 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2dk9 h PRO 47 CO 0.17 0.97 -0.19 0.78 -0.23 0.00 0.00 178.00 179.50 2dk9 h GLY 48 N 0.98 0.00 -3.15 1.56 0.00 -1.95 -2.14 103.07 98.38 2dk9 h GLY 48 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.21 2dk9 h GLY 48 CO 0.09 0.00 0.20 1.04 0.00 0.00 0.00 176.54 177.87 2dk9 n LEU 49 N -4.20 5.06 -3.95 3.11 7.99 -1.16 -4.93 117.00 118.92 2dk9 n LEU 49 Ca -0.02 -2.62 -0.11 0.00 -0.01 0.00 0.00 56.01 53.24 2dk9 n LEU 49 Cb 0.26 -0.69 -0.02 0.00 -0.11 0.00 0.00 43.42 42.86 2dk9 n LEU 49 CO 0.36 0.68 0.31 -0.76 -1.51 0.00 0.00 177.39 176.48 2dk9 s LEU 50 N -2.23 0.43 -0.45 2.23 1.02 -0.80 -4.98 118.68 113.88 2dk9 s LEU 50 Ca 0.42 -1.20 0.07 0.00 0.02 0.00 0.00 54.13 53.44 2dk9 s LEU 50 Cb 0.33 2.12 0.31 0.00 0.02 0.00 0.00 46.19 48.97 2dk9 s LEU 50 CO 0.10 -1.42 1.02 -0.62 0.02 0.00 0.00 176.35 175.46 2dk9 n GLU 51 N -0.51 0.97 -0.20 1.70 -0.58 -1.26 -4.93 120.64 115.83 2dk9 n GLU 51 Ca -0.03 -2.09 0.17 0.00 -0.42 0.00 0.00 57.16 54.78 2dk9 n GLU 51 Cb 0.61 -1.18 0.51 0.00 -0.57 0.00 0.00 31.44 30.80 2dk9 n GLU 51 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2dk9 h PRO 52 N 3.18 0.40 -0.61 3.49 0.13 -1.93 -1.39 132.00 135.28 2dk9 h PRO 52 Ca -0.08 -0.02 0.07 0.00 -0.87 0.00 0.00 66.00 65.09 2dk9 h PRO 52 Cb 1.07 -0.09 -0.06 0.00 0.13 0.00 0.00 31.00 32.05 2dk9 h PRO 52 CO 0.21 0.27 0.29 0.66 -0.23 0.00 0.00 178.00 179.20 2dk9 h SER 53 N 0.42 0.38 0.01 1.44 4.64 -1.98 0.72 113.55 119.17 2dk9 h SER 53 Ca 0.41 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2dk9 h SER 53 Cb 0.97 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2dk9 h SER 53 CO -0.14 0.24 -0.00 -0.33 -0.87 0.00 0.00 176.83 175.73 2dk9 h GLU 54 N 0.53 -0.01 0.00 4.77 5.08 -1.70 -3.13 114.58 120.12 2dk9 h GLU 54 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2dk9 h GLU 54 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2dk9 h GLU 54 CO -0.23 0.56 0.00 1.28 -1.00 0.00 0.00 179.01 179.62 2dk9 n LEU 55 N -4.82 0.62 -0.35 1.33 4.77 -0.93 -1.19 117.00 116.43 2dk9 n LEU 55 Ca -0.09 0.68 -0.03 0.00 -0.03 0.00 0.00 56.01 56.55 2dk9 n LEU 55 Cb 0.29 -0.63 0.11 0.00 -2.33 0.00 0.00 43.42 40.86 2dk9 n LEU 55 CO 0.33 -0.63 1.24 -0.61 -1.33 0.00 0.00 177.39 176.39 2dk9 h GLN 56 N 0.00 1.27 0.00 3.23 4.15 0.52 -3.30 115.11 120.98 2dk9 h GLN 56 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.31 2dk9 h GLN 56 Cb 0.28 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.70 2dk9 h GLN 56 CO 0.00 0.88 -0.92 0.41 -1.93 0.00 0.00 178.83 177.27 2dk9 n GLY 57 N -1.27 0.04 0.39 2.39 0.00 -1.13 -4.62 105.19 101.00 2dk9 n GLY 57 Ca 0.11 -0.09 0.21 0.00 0.00 0.00 0.00 46.02 46.25 2dk9 n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dk9 h LEU 58 N 0.00 0.05 0.00 0.99 4.07 -1.23 -3.46 115.31 115.74 2dk9 h LEU 58 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2dk9 h LEU 58 Cb 0.14 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.87 2dk9 h LEU 58 CO 0.00 0.03 0.00 0.61 -1.08 0.00 0.00 178.44 178.00 2dk9 n GLY 59 N -1.64 3.71 0.10 0.83 0.00 -1.25 -4.92 105.19 102.03 2dk9 n GLY 59 Ca 0.12 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 45.09 2dk9 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dk9 h ALA 60 N 0.00 -0.13 -0.77 4.61 0.00 -1.82 -1.82 119.26 119.32 2dk9 h ALA 60 Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.72 2dk9 h ALA 60 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 2dk9 h ALA 60 CO 0.00 -0.16 0.51 -0.07 0.00 0.00 0.00 179.25 179.52 2dk9 h LEU 61 N -0.96 0.84 -0.18 0.00 4.07 -1.92 0.35 115.31 117.51 2dk9 h LEU 61 Ca -0.01 -0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.85 2dk9 h LEU 61 Cb 0.47 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.00 2dk9 h LEU 61 CO 0.02 0.59 -0.20 -0.33 -1.08 0.00 0.00 178.44 177.44 2dk9 h GLU 62 N 0.98 0.45 -0.46 1.13 5.08 -1.92 -0.44 114.58 119.40 2dk9 h GLU 62 Ca 0.30 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2dk9 h GLU 62 Cb -0.01 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2dk9 h GLU 62 CO -0.08 0.82 0.16 0.00 -1.00 0.00 0.00 179.01 178.91 2dk9 h ALA 63 N 0.62 0.60 -0.13 3.43 0.00 -0.91 0.31 119.26 123.18 2dk9 h ALA 63 Ca 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2dk9 h ALA 63 Cb 0.75 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2dk9 h ALA 63 CO 0.05 0.24 -0.04 0.00 0.00 0.00 0.00 179.25 179.50 2dk9 h THR 64 N 0.60 1.29 -0.39 0.00 1.03 -0.97 0.71 112.91 115.19 2dk9 h THR 64 Ca 0.15 -1.00 -0.07 0.00 -0.01 0.00 0.00 66.41 65.49 2dk9 h THR 64 Cb 0.25 1.69 -0.01 0.00 -1.07 0.00 0.00 68.15 69.00 2dk9 h THR 64 CO -0.01 0.29 -0.01 0.00 -0.01 0.00 0.00 175.52 175.78 2dk9 h ALA 65 N 0.69 0.53 -0.48 0.00 0.00 -1.02 0.21 119.26 119.18 2dk9 h ALA 65 Ca 0.03 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 2dk9 h ALA 65 Cb 0.47 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2dk9 h ALA 65 CO 0.01 0.32 -0.06 2.35 0.00 0.00 0.00 179.25 181.87 2dk9 h TRP 66 N 0.52 0.99 -0.27 0.00 7.01 -0.41 -1.67 115.95 122.13 2dk9 h TRP 66 Ca 0.11 -0.20 -0.16 0.00 2.11 0.00 0.00 58.89 60.76 2dk9 h TRP 66 Cb 0.49 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 2dk9 h TRP 66 CO 0.04 0.95 -0.47 0.00 -2.79 0.00 0.00 178.44 176.17 2dk9 h ALA 67 N 0.90 0.65 -0.59 2.65 0.00 -0.77 -1.71 119.26 120.39 2dk9 h ALA 67 Ca 0.13 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 2dk9 h ALA 67 Cb 0.60 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2dk9 h ALA 67 CO 0.04 0.67 0.05 -0.07 0.00 0.00 0.00 179.25 179.94 2dk9 h LEU 68 N 0.58 0.98 -0.06 0.00 3.38 -0.49 0.47 115.31 120.17 2dk9 h LEU 68 Ca 0.03 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 2dk9 h LEU 68 Cb 1.03 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 2dk9 h LEU 68 CO 0.10 1.02 -0.08 0.11 0.09 0.00 0.00 178.44 179.68 2dk9 h LYS 69 N 0.91 0.15 -0.37 1.13 1.57 -1.27 -2.55 116.57 116.13 2dk9 h LYS 69 Ca 0.17 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.76 2dk9 h LYS 69 Cb 0.48 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2dk9 h LYS 69 CO 0.02 0.63 -0.17 -0.39 -0.57 0.00 0.00 179.45 178.97 2dk9 h VAL 70 N -0.32 1.28 -0.70 0.50 -1.51 -1.30 -0.95 116.25 113.25 2dk9 h VAL 70 Ca 0.01 -1.29 0.08 0.00 -1.23 0.00 0.00 66.70 64.26 2dk9 h VAL 70 Cb 0.61 1.33 -0.06 0.00 -2.13 0.00 0.00 31.29 31.04 2dk9 h VAL 70 CO 0.02 0.43 0.37 0.00 -1.23 0.00 0.00 177.57 177.16 2dk9 h ALA 71 N 0.80 0.96 -0.28 5.19 0.00 -0.12 0.91 119.26 126.72 2dk9 h ALA 71 Ca 0.08 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 2dk9 h ALA 71 Cb 0.71 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2dk9 h ALA 71 CO 0.05 0.01 -0.42 1.49 0.00 0.00 0.00 179.25 180.38 2dk9 h GLU 72 N 0.65 0.69 -0.27 0.00 4.81 -1.35 0.44 114.58 119.57 2dk9 h GLU 72 Ca 0.33 -0.37 -0.16 0.00 -0.13 0.00 0.00 59.36 59.04 2dk9 h GLU 72 Cb 0.29 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 2dk9 h GLU 72 CO -0.23 0.98 -0.45 -0.97 -0.73 0.00 0.00 179.01 177.62 2dk9 h ASN 73 N 0.57 0.85 0.19 1.04 -0.00 0.12 0.91 115.58 119.25 2dk9 h ASN 73 Ca 0.04 -0.52 -0.27 0.00 -0.00 0.00 0.00 56.30 55.55 2dk9 h ASN 73 Cb 0.96 -0.24 0.02 0.00 -0.00 0.00 0.00 38.32 39.06 2dk9 h ASN 73 CO 0.09 1.21 -1.22 -0.08 -0.00 0.00 0.00 177.43 177.44 2dk9 h GLU 74 N 0.52 0.40 0.04 6.67 4.22 0.80 -3.38 114.58 123.86 2dk9 h GLU 74 Ca 0.02 -0.68 -0.33 0.00 0.08 0.00 0.00 59.36 58.46 2dk9 h GLU 74 Cb 1.05 0.25 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 2dk9 h GLU 74 CO 0.10 1.32 -1.88 -0.11 -2.18 0.00 0.00 179.01 176.27 2dk9 n LEU 75 N -3.90 1.50 -0.21 1.64 0.00 0.16 -5.01 117.00 111.17 2dk9 n LEU 75 Ca -0.17 0.30 0.00 0.00 0.00 0.00 0.00 56.01 56.14 2dk9 n LEU 75 Cb 0.96 -0.29 0.00 0.00 0.00 0.00 0.00 43.42 44.09 2dk9 n LEU 75 CO 0.53 0.57 0.00 0.61 0.00 0.00 0.00 177.39 179.10 2dk9 n GLY 76 N 1.74 0.79 3.43 -3.96 0.00 0.31 -5.00 105.19 102.51 2dk9 n GLY 76 Ca -0.24 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 2dk9 n GLY 76 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2dk9 s ILE 77 N -2.42 3.54 -0.07 -0.61 2.07 -1.22 -5.03 121.20 117.47 2dk9 s ILE 77 Ca 0.00 -0.48 -0.30 0.00 -1.41 0.00 0.00 60.65 58.46 2dk9 s ILE 77 Cb 0.00 -2.54 -0.03 0.00 0.13 0.00 0.00 42.46 40.02 2dk9 s ILE 77 CO 0.00 0.50 1.26 -0.89 -1.91 0.00 0.00 174.94 173.90 2dk9 s THR 78 N 0.47 4.14 0.78 4.00 2.01 -1.26 -4.35 115.64 121.42 2dk9 s THR 78 Ca -0.06 1.46 -0.15 0.00 0.31 0.00 0.00 61.69 63.26 2dk9 s THR 78 Cb -0.15 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.44 2dk9 s THR 78 CO 0.03 -0.03 0.86 -2.65 -0.69 0.00 0.00 174.62 172.14 2dk9 n PRO 79 N 5.56 0.25 0.00 4.92 -0.02 -1.26 -4.96 135.00 139.49 2dk9 n PRO 79 Ca 0.12 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 2dk9 n PRO 79 Cb 0.45 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2dk9 n PRO 79 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2dk9 n VAL 80 N -2.86 0.00 -3.92 -1.45 0.31 -1.26 -5.07 118.33 104.08 2dk9 n VAL 80 Ca 0.12 -0.34 -0.08 0.00 -0.01 0.00 0.00 64.34 64.02 2dk9 n VAL 80 Cb 0.50 1.25 -0.08 0.00 -0.91 0.00 0.00 33.84 34.60 2dk9 n VAL 80 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2dk9 s VAL 81 N -0.13 0.16 0.50 2.52 1.01 -1.26 -4.96 120.40 118.24 2dk9 s VAL 81 Ca 0.00 -1.31 -0.09 0.00 0.00 0.00 0.00 61.98 60.58 2dk9 s VAL 81 Cb 0.00 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 2dk9 s VAL 81 CO 0.00 -0.72 0.86 -0.44 0.00 0.00 0.00 175.10 174.80 2dk9 s SER 82 N -2.75 6.36 0.14 3.32 0.01 -1.26 -4.98 113.70 114.55 2dk9 s SER 82 Ca 0.04 1.17 -0.14 0.00 1.31 0.00 0.00 55.95 58.33 2dk9 s SER 82 Cb 0.05 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.93 2dk9 s SER 82 CO -0.10 -0.60 1.63 0.00 0.41 0.00 0.00 173.24 174.58 2dk9 h ALA 83 N 0.44 0.59 -0.24 1.44 0.00 -1.96 -2.36 119.26 117.16 2dk9 h ALA 83 Ca -0.46 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.18 2dk9 h ALA 83 Cb 1.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2dk9 h ALA 83 CO 0.62 0.30 -0.09 -0.56 0.00 0.00 0.00 179.25 179.52 2dk9 h GLN 84 N 0.60 0.38 -0.18 0.00 -0.00 -1.95 -2.09 115.11 111.87 2dk9 h GLN 84 Ca 0.14 -0.09 -0.05 0.00 -0.00 0.00 0.00 58.65 58.64 2dk9 h GLN 84 Cb 0.36 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.48 27.78 2dk9 h GLN 84 CO 0.01 0.49 -0.09 0.00 -0.00 0.00 0.00 178.83 179.24 2dk9 h ALA 85 N 1.55 0.25 -0.66 0.06 0.00 -1.90 -1.12 119.26 117.44 2dk9 h ALA 85 Ca 0.07 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2dk9 h ALA 85 Cb 0.39 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2dk9 h ALA 85 CO 0.02 0.07 0.17 -0.39 0.00 0.00 0.00 179.25 179.13 2dk9 h VAL 86 N 0.06 1.26 -0.10 0.00 -1.51 -1.28 0.47 116.25 115.15 2dk9 h VAL 86 Ca 0.04 -0.92 -0.12 0.00 -1.23 0.00 0.00 66.70 64.47 2dk9 h VAL 86 Cb 0.57 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.31 2dk9 h VAL 86 CO 0.03 0.35 -0.47 0.58 -1.23 0.00 0.00 177.57 176.83 2dk9 h VAL 87 N 0.98 1.33 0.00 7.19 2.07 -1.38 -2.92 116.25 123.52 2dk9 h VAL 87 Ca 0.21 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 66.07 2dk9 h VAL 87 Cb 0.35 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2dk9 h VAL 87 CO -0.00 0.49 -0.61 0.00 0.02 0.00 0.00 177.57 177.48 2dk9 n ALA 88 N -2.47 3.10 -2.57 1.67 0.00 -0.43 -4.51 120.51 115.30 2dk9 n ALA 88 Ca -0.02 -0.28 -0.21 0.00 0.00 0.00 0.00 53.44 52.93 2dk9 n ALA 88 Cb 0.52 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2dk9 n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dk9 n GLY 89 N 1.38 -0.51 2.17 0.00 0.00 0.16 -4.87 105.19 103.53 2dk9 n GLY 89 Ca 0.04 0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 2dk9 n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dk9 n SER 90 N -2.13 4.45 -2.80 1.61 7.64 -1.04 -4.58 113.62 116.77 2dk9 n SER 90 Ca -0.20 -3.54 -0.07 0.00 1.01 0.00 0.00 58.87 56.06 2dk9 n SER 90 Cb 0.66 -0.85 0.02 0.00 -1.01 0.00 0.00 64.21 63.03 2dk9 n SER 90 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2dk9 n ASP 91 N -0.98 -2.97 -0.23 6.43 8.00 -1.26 -5.02 116.55 120.52 2dk9 n ASP 91 Ca 0.56 -3.04 -0.07 0.00 0.71 0.00 0.00 54.79 52.96 2dk9 n ASP 91 Cb 1.41 1.59 0.04 0.00 -0.02 0.00 0.00 41.12 44.14 2dk9 n ASP 91 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2dk9 h PRO 92 N 4.59 0.90 -0.72 -0.24 0.13 -1.88 -2.10 132.00 132.68 2dk9 h PRO 92 Ca -0.01 -0.12 -0.05 0.00 -0.87 0.00 0.00 66.00 64.95 2dk9 h PRO 92 Cb 1.06 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 2dk9 h PRO 92 CO 0.17 0.71 0.27 -0.07 -0.23 0.00 0.00 178.00 178.84 2dk9 h LEU 93 N 0.87 1.00 -0.36 1.56 3.38 -1.99 -2.34 115.31 117.42 2dk9 h LEU 93 Ca 0.22 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 2dk9 h LEU 93 Cb 0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2dk9 h LEU 93 CO -0.03 0.91 0.01 1.23 0.09 0.00 0.00 178.44 180.65 2dk9 h GLY 94 N 1.10 0.68 1.00 0.83 0.00 -1.86 -1.11 103.07 103.72 2dk9 h GLY 94 Ca 0.24 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.09 2dk9 h GLY 94 CO -0.02 0.45 0.48 -2.00 0.00 0.00 0.00 176.54 175.46 2dk9 h LEU 95 N 0.45 0.83 -0.47 3.11 5.85 -1.22 -1.21 115.31 122.66 2dk9 h LEU 95 Ca 0.10 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 2dk9 h LEU 95 Cb 0.44 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2dk9 h LEU 95 CO 0.02 0.60 -0.14 0.40 -0.34 0.00 0.00 178.44 178.98 2dk9 h ILE 96 N 0.98 1.27 -0.65 4.05 2.04 -1.33 -1.32 117.51 122.56 2dk9 h ILE 96 Ca 0.27 -1.27 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 2dk9 h ILE 96 Cb -0.11 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 2dk9 h ILE 96 CO -0.06 0.44 0.40 0.00 0.00 0.00 0.00 178.15 178.93 2dk9 h ALA 97 N 0.87 0.82 -0.43 1.87 0.00 -0.82 -1.66 119.26 119.92 2dk9 h ALA 97 Ca 0.12 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 2dk9 h ALA 97 Cb 0.69 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2dk9 h ALA 97 CO 0.05 0.29 -0.32 -0.92 0.00 0.00 0.00 179.25 178.35 2dk9 h TYR 98 N 0.88 1.15 -0.89 0.00 3.20 -1.15 -3.07 116.97 117.08 2dk9 h TYR 98 Ca 0.23 -0.32 0.03 0.00 3.14 0.00 0.00 58.73 61.82 2dk9 h TYR 98 Cb -0.04 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 37.92 2dk9 h TYR 98 CO -0.02 1.15 0.58 -0.07 -1.64 0.00 0.00 178.16 178.16 2dk9 h LEU 99 N 0.81 0.97 -1.30 2.82 3.38 -0.90 -1.70 115.31 119.38 2dk9 h LEU 99 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2dk9 h LEU 99 Cb 0.91 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2dk9 h LEU 99 CO 0.08 0.67 0.42 -1.28 0.09 0.00 0.00 178.44 178.42 2dk9 h SER 100 N 1.13 0.78 -0.47 -0.43 0.87 -1.23 -2.03 113.55 112.18 2dk9 h SER 100 Ca 0.35 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.81 2dk9 h SER 100 Cb -0.02 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 2dk9 h SER 100 CO -0.11 0.59 0.02 0.45 -0.53 0.00 0.00 176.83 177.24 2dk9 h HIS 101 N 0.91 0.89 -0.49 2.24 3.86 -1.25 -2.67 115.15 118.64 2dk9 h HIS 101 Ca 0.24 -0.15 -0.03 0.00 -1.16 0.00 0.00 60.37 59.27 2dk9 h HIS 101 Cb -0.07 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.15 2dk9 h HIS 101 CO 0.00 0.85 0.17 0.74 0.86 0.00 0.00 177.93 180.55 2dk9 h PHE 102 N 0.68 0.73 -0.62 2.45 0.04 -0.93 -2.59 116.94 116.69 2dk9 h PHE 102 Ca 0.14 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.81 2dk9 h PHE 102 Cb 0.48 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 2dk9 h PHE 102 CO 0.04 0.59 0.18 1.25 -0.60 0.00 0.00 178.31 179.76 2dk9 h HIS 103 N 0.71 1.02 -0.90 -0.55 2.76 -1.15 0.37 115.15 117.40 2dk9 h HIS 103 Ca 0.17 -0.11 0.08 0.00 -2.20 0.00 0.00 60.37 58.30 2dk9 h HIS 103 Cb 0.19 -0.29 -0.07 0.00 1.55 0.00 0.00 27.41 28.79 2dk9 h HIS 103 CO 0.01 0.84 0.56 0.77 -1.30 0.00 0.00 177.93 178.81 2dk9 h SER 104 N 0.90 0.86 0.23 3.26 0.02 -1.13 0.77 113.55 118.45 2dk9 h SER 104 Ca 0.20 0.03 -0.34 0.00 -0.84 0.00 0.00 61.79 60.84 2dk9 h SER 104 Cb 0.32 -0.15 0.03 0.00 0.14 0.00 0.00 62.40 62.74 2dk9 h SER 104 CO -0.00 0.52 -1.56 0.00 -1.14 0.00 0.00 176.83 174.65 2dk9 h ALA 105 N 1.44 -0.05 -0.58 3.77 0.00 -1.39 -2.73 119.26 119.72 2dk9 h ALA 105 Ca 0.41 -0.96 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 2dk9 h ALA 105 Cb 0.25 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2dk9 h ALA 105 CO -0.20 0.80 0.01 0.74 0.00 0.00 0.00 179.25 180.60 2dk9 h PHE 106 N 0.11 1.07 -0.10 0.00 -1.00 0.07 -1.23 116.94 115.86 2dk9 h PHE 106 Ca -0.29 -0.17 -0.06 0.00 2.81 0.00 0.00 57.97 60.26 2dk9 h PHE 106 Cb 2.13 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 41.40 2dk9 h PHE 106 CO 0.12 0.95 -0.19 -0.22 -1.61 0.00 0.00 178.31 177.36 2dk9 h LYS 107 N 0.92 0.30 0.43 1.51 3.64 0.43 -3.35 116.57 120.46 2dk9 h LYS 107 Ca 0.17 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2dk9 h LYS 107 Cb 0.51 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2dk9 h LYS 107 CO 0.03 0.78 -0.21 0.77 -2.27 0.00 0.00 179.45 178.55 2dk9 h SER 108 N -0.14 -0.49 0.00 4.20 0.02 -1.43 -3.51 113.55 112.19 2dk9 h SER 108 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2dk9 h SER 108 Cb 0.77 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2dk9 h SER 108 CO 0.04 -0.35 0.00 0.23 -1.14 0.00 0.00 176.83 175.61