#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 1.79 3.51 3.03 0.00 -1.26 -5.10 105.19 107.17 2dk9 n GLY -7 Ca 0.00 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 2dk9 n GLY -7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2dk9 s HIS -6 N 0.00 -0.09 -0.01 1.61 0.00 -1.26 -5.07 115.29 110.46 2dk9 s HIS -6 Ca 0.00 0.41 0.01 0.00 -3.00 0.00 0.00 55.06 52.48 2dk9 s HIS -6 Cb 0.00 -3.36 0.01 0.00 -4.00 0.00 0.00 32.58 25.22 2dk9 s HIS -6 CO 0.00 -4.31 -0.03 -3.38 -1.00 0.00 0.00 174.74 166.02 2dk9 s HIS -5 N -2.86 0.42 0.00 0.38 -0.00 -1.26 -4.96 115.29 107.01 2dk9 s HIS -5 Ca 0.71 -0.07 0.00 0.00 -0.00 0.00 0.00 55.06 55.70 2dk9 s HIS -5 Cb -0.08 -0.34 0.00 0.00 -0.00 0.00 0.00 32.58 32.16 2dk9 s HIS -5 CO 0.56 -0.05 0.00 1.58 -0.00 0.00 0.00 174.74 176.82 2dk9 n HIS -4 N 3.35 -0.41 0.00 0.38 -0.00 -1.26 -5.03 115.22 112.26 2dk9 n HIS -4 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 2dk9 n HIS -4 Cb 0.56 0.08 0.00 0.00 -0.00 0.00 0.00 29.99 30.63 2dk9 n HIS -4 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2dk9 n HIS -3 N -1.88 -1.28 -0.98 1.57 -0.00 -1.26 -4.99 115.22 106.40 2dk9 n HIS -3 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.37 2dk9 n HIS -3 Cb 0.00 0.26 -0.04 0.00 -0.00 0.00 0.00 29.99 30.20 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 -2.01 1.65 -4.09 1.57 -0.00 -1.26 -4.88 115.22 106.21 2dk9 n HIS -2 Ca 0.00 -1.83 -0.33 0.00 -0.00 0.00 0.00 57.72 55.56 2dk9 n HIS -2 Cb 0.00 -1.67 -0.07 0.00 -0.00 0.00 0.00 29.99 28.25 2dk9 n HIS -2 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2dk9 s HIS -1 N 4.45 3.29 -0.21 1.57 5.04 -1.26 -4.99 115.29 123.18 2dk9 s HIS -1 Ca 0.50 0.21 0.02 0.00 -1.54 0.00 0.00 55.06 54.24 2dk9 s HIS -1 Cb 0.13 -1.74 0.04 0.00 0.04 0.00 0.00 32.58 31.05 2dk9 s HIS -1 CO 0.06 0.55 -0.15 1.41 -2.34 0.00 0.00 174.74 174.27 2dk9 s MET 0 N -1.79 2.58 0.00 2.88 -2.45 -1.26 -4.57 119.30 114.70 2dk9 s MET 0 Ca 0.23 -1.01 0.00 0.00 -1.25 0.00 0.00 55.69 53.67 2dk9 s MET 0 Cb -0.12 -2.65 0.00 0.00 1.25 0.00 0.00 34.83 33.31 2dk9 s MET 0 CO 0.15 -0.37 0.00 0.41 1.05 0.00 0.00 175.02 176.26 2dk9 n GLY 1 N 4.56 3.60 0.09 2.11 0.00 -1.26 -4.91 105.19 109.38 2dk9 n GLY 1 Ca -0.18 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 2dk9 n GLY 1 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dk9 h SER 2 N 0.17 0.19 -0.00 1.61 0.87 -2.02 -3.28 113.55 111.08 2dk9 h SER 2 Ca 0.00 -0.78 -0.05 0.00 -1.23 0.00 0.00 61.79 59.73 2dk9 h SER 2 Cb 0.00 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2dk9 h SER 2 CO 0.00 0.95 -0.11 0.00 -0.53 0.00 0.00 176.83 177.14 2dk9 h ALA 3 N 0.24 1.51 -0.06 6.23 0.00 -1.91 -2.23 119.26 123.04 2dk9 h ALA 3 Ca -0.03 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.70 2dk9 h ALA 3 Cb 0.98 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2dk9 h ALA 3 CO 0.04 0.35 0.11 0.78 0.00 0.00 0.00 179.25 180.54 2dk9 h GLY 4 N 0.73 0.00 0.12 0.00 0.00 -1.89 0.16 103.07 102.20 2dk9 h GLY 4 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.99 2dk9 h GLY 4 CO 0.02 0.00 -2.32 -1.30 0.00 0.00 0.00 176.54 172.93 2dk9 n THR 5 N -3.46 1.56 0.07 4.70 -2.24 -0.88 -4.14 114.28 109.89 2dk9 n THR 5 Ca -0.01 -0.52 0.02 0.00 -2.27 0.00 0.00 64.05 61.27 2dk9 n THR 5 Cb 0.20 -1.60 0.39 0.00 -2.10 0.00 0.00 70.33 67.22 2dk9 n THR 5 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2dk9 h GLN 6 N -0.22 0.37 -0.59 -0.78 5.75 -1.10 -2.46 115.11 116.08 2dk9 h GLN 6 Ca -0.56 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 57.80 2dk9 h GLN 6 Cb 1.84 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 30.31 2dk9 h GLN 6 CO -0.12 0.39 0.04 1.49 -2.65 0.00 0.00 178.83 177.98 2dk9 h GLU 7 N 0.36 1.00 -0.30 1.69 4.57 -1.17 -0.24 114.58 120.49 2dk9 h GLU 7 Ca 0.08 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 2dk9 h GLU 7 Cb 0.23 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2dk9 h GLU 7 CO 0.00 0.96 0.14 0.93 -1.18 0.00 0.00 179.01 179.87 2dk9 h GLU 8 N 0.93 0.44 -0.26 1.92 5.08 -1.60 -0.69 114.58 120.39 2dk9 h GLU 8 Ca 0.18 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.33 2dk9 h GLU 8 Cb 0.48 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2dk9 h GLU 8 CO 0.02 0.42 -0.40 -0.07 -1.00 0.00 0.00 179.01 177.98 2dk9 h LEU 9 N 0.35 0.66 -0.30 1.33 4.07 -1.41 -2.38 115.31 117.64 2dk9 h LEU 9 Ca 0.10 -0.29 -0.02 0.00 0.08 0.00 0.00 57.88 57.75 2dk9 h LEU 9 Cb 0.12 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 2dk9 h LEU 9 CO -0.01 0.98 0.11 -0.07 -1.08 0.00 0.00 178.44 178.37 2dk9 h LEU 10 N 0.51 0.42 -1.19 1.67 3.38 -0.81 -1.42 115.31 117.87 2dk9 h LEU 10 Ca 0.04 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 2dk9 h LEU 10 Cb 0.92 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2dk9 h LEU 10 CO 0.08 0.49 -0.24 0.08 0.09 0.00 0.00 178.44 178.94 2dk9 h ARG 11 N 0.33 0.26 -0.03 1.13 0.11 -1.10 -1.56 114.38 113.53 2dk9 h ARG 11 Ca 0.10 -0.08 -0.01 0.00 0.10 0.00 0.00 59.98 60.09 2dk9 h ARG 11 Cb 0.21 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.26 2dk9 h ARG 11 CO -0.01 0.49 -0.01 2.35 0.10 0.00 0.00 179.97 182.90 2dk9 h TRP 12 N 0.24 0.06 -0.38 4.08 7.01 -1.14 -1.37 115.95 124.45 2dk9 h TRP 12 Ca 0.04 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 2dk9 h TRP 12 Cb 0.56 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.59 2dk9 h TRP 12 CO 0.01 0.43 0.17 0.00 -2.79 0.00 0.00 178.44 176.26 2dk9 h GLN 14 N 0.48 0.86 -0.26 0.00 4.15 -1.31 0.70 115.11 119.73 2dk9 h GLN 14 Ca 0.13 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 2dk9 h GLN 14 Cb 0.15 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 2dk9 h GLN 14 CO -0.01 0.61 -0.00 1.49 -1.93 0.00 0.00 178.83 178.99 2dk9 h GLU 15 N 0.85 0.46 0.00 1.69 4.57 -1.06 -1.97 114.58 119.11 2dk9 h GLU 15 Ca 0.23 -0.15 -0.10 0.00 -1.18 0.00 0.00 59.36 58.16 2dk9 h GLU 15 Cb -0.02 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 2dk9 h GLU 15 CO -0.04 0.63 -0.46 1.96 -1.18 0.00 0.00 179.01 179.92 2dk9 h GLN 16 N 0.23 0.00 -0.23 1.92 4.20 -0.81 -2.61 115.11 117.82 2dk9 h GLN 16 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2dk9 h GLN 16 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2dk9 h GLN 16 CO 0.01 0.46 0.00 2.41 -0.67 0.00 0.00 178.83 181.04 2dk9 n THR 17 N -3.78 0.30 -2.96 -0.54 -1.04 0.24 -4.73 114.28 101.78 2dk9 n THR 17 Ca -0.01 -0.35 -0.39 0.00 -2.04 0.00 0.00 64.05 61.26 2dk9 n THR 17 Cb 0.51 0.23 -0.06 0.00 -1.82 0.00 0.00 70.33 69.19 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 -1.70 3.42 0.00 2.41 0.00 -0.76 -4.29 121.76 120.84 2dk9 s ALA 18 Ca 0.25 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2dk9 s ALA 18 Cb 0.13 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2dk9 s ALA 18 CO 0.19 0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.64 2dk9 n GLY 19 N 1.38 1.29 3.82 0.00 0.00 -1.26 -5.05 105.19 105.37 2dk9 n GLY 19 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.59 3.62 -0.73 1.61 1.51 -1.26 -4.95 117.35 116.57 2dk9 s TYR 20 Ca 0.00 1.34 -0.10 0.00 -1.01 0.00 0.00 57.07 57.31 2dk9 s TYR 20 Cb 0.00 -2.59 -0.08 0.00 -0.11 0.00 0.00 41.96 39.18 2dk9 s TYR 20 CO 0.00 0.32 1.90 -0.35 -1.11 0.00 0.00 175.55 176.31 2dk9 n PRO 21 N 0.62 1.60 0.00 -1.71 -0.04 -1.26 -2.76 135.00 131.45 2dk9 n PRO 21 Ca -0.02 -1.41 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 2dk9 n PRO 21 Cb 0.51 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 2dk9 n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dk9 n GLY 22 N 4.02 0.00 3.64 0.55 0.00 -1.26 -5.14 105.19 107.00 2dk9 n GLY 22 Ca 0.40 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 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 4.97 -0.24 1.61 1.01 -1.11 -4.90 120.40 121.74 2dk9 s VAL 23 Ca 0.00 1.21 0.21 0.00 0.00 0.00 0.00 61.98 63.39 2dk9 s VAL 23 Cb 0.00 -3.96 0.47 0.00 0.00 0.00 0.00 36.38 32.89 2dk9 s VAL 23 CO 0.00 0.03 1.19 1.57 0.00 0.00 0.00 175.10 177.89 2dk9 n HIS 24 N 5.60 0.50 -1.86 5.22 -0.00 -1.26 -5.06 115.22 118.35 2dk9 n HIS 24 Ca 0.00 -1.84 -0.34 0.00 0.46 0.00 0.00 57.72 56.01 2dk9 n HIS 24 Cb 0.49 0.12 -0.04 0.00 -0.12 0.00 0.00 29.99 30.44 2dk9 n HIS 24 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2dk9 s VAL 25 N -2.59 3.24 0.00 3.57 1.01 -1.26 -4.59 120.40 119.78 2dk9 s VAL 25 Ca 0.24 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.27 2dk9 s VAL 25 Cb 0.34 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 33.14 2dk9 s VAL 25 CO -0.07 -0.59 0.87 -1.20 0.00 0.00 0.00 175.10 174.11 2dk9 n SER 26 N 14.38 0.03 -3.98 3.32 7.64 -1.26 -4.41 113.62 129.33 2dk9 n SER 26 Ca 0.30 -1.72 -0.12 0.00 1.01 0.00 0.00 58.87 58.35 2dk9 n SER 26 Cb 0.51 -0.14 -0.12 0.00 -1.01 0.00 0.00 64.21 63.46 2dk9 n SER 26 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2dk9 s ASP 27 N -0.78 0.44 -0.65 6.43 1.01 -1.26 -5.05 116.67 116.82 2dk9 s ASP 27 Ca 0.02 -0.38 -0.02 0.00 0.71 0.00 0.00 52.55 52.89 2dk9 s ASP 27 Cb 0.02 0.04 0.46 0.00 1.01 0.00 0.00 42.92 44.45 2dk9 s ASP 27 CO -0.01 -0.17 2.03 0.18 0.21 0.00 0.00 175.17 177.41 2dk9 n LEU 28 N 1.99 7.62 0.00 1.23 4.32 -1.26 -4.22 117.00 126.69 2dk9 n LEU 28 Ca -0.20 -4.22 0.00 0.00 -0.02 0.00 0.00 56.01 51.57 2dk9 n LEU 28 Cb 0.56 -0.97 0.00 0.00 -1.62 0.00 0.00 43.42 41.39 2dk9 n LEU 28 CO 0.22 1.44 0.00 -1.20 -1.22 0.00 0.00 177.39 176.63 2dk9 n SER 29 N -0.89 0.00 0.26 -1.43 7.64 -1.26 -4.84 113.62 113.10 2dk9 n SER 29 Ca 0.62 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.67 2dk9 n SER 29 Cb 0.72 0.00 0.91 0.00 -1.01 0.00 0.00 64.21 64.83 2dk9 n SER 29 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dk9 h SER 30 N 0.00 0.00 0.25 6.43 0.87 -1.86 -0.57 113.55 118.67 2dk9 h SER 30 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 2dk9 h SER 30 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2dk9 h SER 30 CO 0.00 0.00 -0.39 -1.28 -0.53 0.00 0.00 176.83 174.63 2dk9 h SER 31 N 0.00 0.20 -0.47 6.23 0.87 -1.93 -2.56 113.55 115.89 2dk9 h SER 31 Ca 0.04 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2dk9 h SER 31 Cb 0.30 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2dk9 h SER 31 CO -0.00 0.58 0.00 0.79 -0.53 0.00 0.00 176.83 177.67 2dk9 n TRP 32 N -4.05 1.07 0.19 2.24 7.02 -0.23 -4.36 117.44 119.32 2dk9 n TRP 32 Ca -0.01 -0.43 -0.15 0.00 -1.02 0.00 0.00 57.50 55.89 2dk9 n TRP 32 Cb 0.45 -0.18 -0.07 0.00 -2.42 0.00 0.00 31.31 29.09 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 3.72 -0.72 -0.03 6.99 0.00 -1.39 -2.08 119.26 125.75 2dk9 h ALA 33 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2dk9 h ALA 33 Cb 1.10 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2dk9 h ALA 33 CO 0.16 -0.95 0.00 -0.40 0.00 0.00 0.00 179.25 178.07 2dk9 n ASP 34 N -5.45 1.00 -1.87 0.00 5.68 -1.26 -4.39 116.55 110.25 2dk9 n ASP 34 Ca -0.09 -1.37 -0.12 0.00 -0.50 0.00 0.00 54.79 52.71 2dk9 n ASP 34 Cb 0.36 -0.01 0.03 0.00 -1.14 0.00 0.00 41.12 40.35 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 1.10 0.08 0.18 6.12 0.00 -0.78 -4.40 105.19 107.48 2dk9 n GLY 35 Ca 0.20 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.98 0.63 -0.13 0.99 -0.00 -1.83 -2.56 115.31 111.42 2dk9 h LEU 36 Ca -0.29 -0.47 -0.04 0.00 -0.00 0.00 0.00 57.88 57.08 2dk9 h LEU 36 Cb 1.20 -0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 41.66 2dk9 h LEU 36 CO 0.30 1.25 -0.08 0.00 -0.00 0.00 0.00 178.44 179.92 2dk9 h ALA 37 N 0.72 0.19 -0.29 1.53 0.00 -1.92 0.17 119.26 119.66 2dk9 h ALA 37 Ca -0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2dk9 h ALA 37 Cb 1.50 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2dk9 h ALA 37 CO 0.16 -0.00 0.09 1.25 0.00 0.00 0.00 179.25 180.74 2dk9 h LEU 38 N -0.06 0.42 -0.41 0.00 5.85 -1.96 -2.39 115.31 116.76 2dk9 h LEU 38 Ca 0.03 -0.20 -0.17 0.00 0.84 0.00 0.00 57.88 58.38 2dk9 h LEU 38 Cb 0.55 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2dk9 h LEU 38 CO 0.02 0.51 -0.45 0.00 -0.34 0.00 0.00 178.44 178.18 2dk9 h ALA 40 N 0.81 1.46 0.12 0.00 0.00 -0.55 0.40 119.26 121.50 2dk9 h ALA 40 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2dk9 h ALA 40 Cb 1.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2dk9 h ALA 40 CO 0.10 0.37 -0.06 -0.07 0.00 0.00 0.00 179.25 179.59 2dk9 h LEU 41 N 1.10 -0.14 -1.37 0.00 3.38 -1.35 -2.21 115.31 114.73 2dk9 h LEU 41 Ca 0.44 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2dk9 h LEU 41 Cb 0.26 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2dk9 h LEU 41 CO -0.19 0.35 0.44 0.58 0.09 0.00 0.00 178.44 179.71 2dk9 h VAL 42 N -0.67 1.12 -0.49 1.22 2.07 -1.13 -1.69 116.25 116.68 2dk9 h VAL 42 Ca -0.02 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 2dk9 h VAL 42 Cb 0.51 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2dk9 h VAL 42 CO 0.03 0.15 -0.06 0.22 0.02 0.00 0.00 177.57 177.93 2dk9 h TYR 43 N 0.84 0.94 -0.62 1.57 5.03 -0.19 0.71 116.97 125.24 2dk9 h TYR 43 Ca 0.26 -0.16 -0.03 0.00 2.58 0.00 0.00 58.73 61.38 2dk9 h TYR 43 Cb 0.01 -0.25 -0.03 0.00 1.55 0.00 0.00 36.73 38.02 2dk9 h TYR 43 CO -0.00 0.89 0.28 -0.09 -1.32 0.00 0.00 178.16 177.92 2dk9 h ARG 44 N 0.79 0.91 0.14 1.82 9.65 -0.66 0.43 114.38 127.45 2dk9 h ARG 44 Ca 0.14 -0.14 -0.28 0.00 -1.10 0.00 0.00 59.98 58.59 2dk9 h ARG 44 Cb 0.56 -0.16 0.01 0.00 -1.39 0.00 0.00 29.97 28.99 2dk9 h ARG 44 CO 0.03 0.74 -1.30 -0.07 2.80 0.00 0.00 179.97 182.18 2dk9 h LEU 45 N 0.86 0.47 -6.56 3.80 -0.00 -1.28 -3.42 115.31 109.18 2dk9 h LEU 45 Ca 0.21 -0.51 -0.52 0.00 -0.00 0.00 0.00 57.88 57.06 2dk9 h LEU 45 Cb 0.15 -0.15 -0.37 0.00 -0.00 0.00 0.00 40.66 40.28 2dk9 h LEU 45 CO -0.02 1.40 -0.80 -1.10 -0.00 0.00 0.00 178.44 177.92 2dk9 s GLN 46 N -2.65 0.50 0.04 1.13 -0.21 0.24 -5.02 119.66 113.69 2dk9 s GLN 46 Ca -0.05 -1.06 -0.25 0.00 0.02 0.00 0.00 55.36 54.03 2dk9 s GLN 46 Cb 0.07 -1.13 -0.17 0.00 1.00 0.00 0.00 33.01 32.77 2dk9 s GLN 46 CO 0.89 -1.17 1.49 -1.00 -2.12 0.00 0.00 175.29 173.38 2dk9 h PRO 47 N 7.30 -0.09 0.00 2.91 0.13 -1.10 -2.76 132.00 138.39 2dk9 h PRO 47 Ca 0.01 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2dk9 h PRO 47 Cb 1.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2dk9 h PRO 47 CO 0.28 0.15 0.00 0.78 -0.23 0.00 0.00 178.00 178.98 2dk9 h GLY 48 N -0.32 0.00 0.13 1.56 0.00 -1.94 -3.19 103.07 99.30 2dk9 h GLY 48 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2dk9 h GLY 48 CO 0.02 0.00 -0.19 -2.00 0.00 0.00 0.00 176.54 174.37 2dk9 h LEU 49 N 0.00 -0.53 -8.41 3.11 6.46 -1.84 -3.45 115.31 110.66 2dk9 h LEU 49 Ca 0.00 0.05 -0.25 0.00 -0.12 0.00 0.00 57.88 57.56 2dk9 h LEU 49 Cb 0.10 0.18 -0.16 0.00 -0.73 0.00 0.00 40.66 40.05 2dk9 h LEU 49 CO 0.00 -0.23 -0.71 -0.76 -0.62 0.00 0.00 178.44 176.12 2dk9 s LEU 50 N -6.59 2.45 -0.92 2.25 1.02 -1.21 -5.08 118.68 110.60 2dk9 s LEU 50 Ca -0.06 -0.90 -0.04 0.00 0.02 0.00 0.00 54.13 53.15 2dk9 s LEU 50 Cb 0.02 -0.14 0.23 0.00 0.02 0.00 0.00 46.19 46.32 2dk9 s LEU 50 CO 0.22 -0.39 0.83 -1.61 0.02 0.00 0.00 176.35 175.42 2dk9 s GLU 51 N -3.30 3.45 0.52 1.70 0.41 -1.26 -4.87 118.70 115.35 2dk9 s GLU 51 Ca 0.07 -3.20 0.29 0.00 -0.41 0.00 0.00 54.97 51.72 2dk9 s GLU 51 Cb 0.01 -4.09 1.41 0.00 -1.78 0.00 0.00 34.13 29.68 2dk9 s GLU 51 CO -0.03 -1.25 1.90 -1.00 -0.49 0.00 0.00 175.26 174.39 2dk9 h PRO 52 N 6.27 0.06 -0.38 0.39 0.13 -1.93 -1.53 132.00 135.01 2dk9 h PRO 52 Ca 0.15 -0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.34 2dk9 h PRO 52 Cb 0.84 -0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.90 2dk9 h PRO 52 CO 0.88 0.04 0.03 1.03 -0.23 0.00 0.00 178.00 179.74 2dk9 h SER 53 N 0.06 -0.10 0.01 1.44 0.87 -1.99 0.93 113.55 114.77 2dk9 h SER 53 Ca 0.41 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 61.05 2dk9 h SER 53 Cb 1.53 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.62 2dk9 h SER 53 CO -0.03 -0.01 -0.00 -0.33 -0.53 0.00 0.00 176.83 175.92 2dk9 h GLU 54 N 0.13 -0.01 0.00 2.24 5.08 -1.72 -3.15 114.58 117.15 2dk9 h GLU 54 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2dk9 h GLU 54 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2dk9 h GLU 54 CO -0.28 0.55 0.00 1.28 -1.00 0.00 0.00 179.01 179.56 2dk9 n LEU 55 N -4.82 0.03 -0.35 1.33 4.77 -1.08 -1.87 117.00 115.01 2dk9 n LEU 55 Ca -0.09 0.51 -0.03 0.00 -0.03 0.00 0.00 56.01 56.37 2dk9 n LEU 55 Cb 0.29 -0.50 0.10 0.00 -2.33 0.00 0.00 43.42 40.98 2dk9 n LEU 55 CO 0.33 -0.24 1.23 -0.61 -1.33 0.00 0.00 177.39 176.78 2dk9 h GLN 56 N 0.00 1.29 0.00 3.23 4.15 0.94 -3.30 115.11 121.42 2dk9 h GLN 56 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.30 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 0.90 -0.96 0.41 -1.93 0.00 0.00 178.83 177.25 2dk9 n GLY 57 N -1.25 0.02 0.37 2.39 0.00 -1.19 -4.63 105.19 100.90 2dk9 n GLY 57 Ca 0.11 -0.07 0.17 0.00 0.00 0.00 0.00 46.02 46.23 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 0.19 0.00 0.99 4.07 -1.45 -3.44 115.31 115.67 2dk9 h LEU 58 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2dk9 h LEU 58 Cb 0.12 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.83 2dk9 h LEU 58 CO 0.00 0.10 0.00 0.61 -1.08 0.00 0.00 178.44 178.07 2dk9 n GLY 59 N -1.58 1.80 0.23 0.83 0.00 -1.24 -4.98 105.19 100.25 2dk9 n GLY 59 Ca 0.11 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.15 -0.66 4.61 0.00 -1.83 0.75 119.26 120.97 2dk9 h ALA 60 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2dk9 h ALA 60 Cb 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2dk9 h ALA 60 CO 0.00 -1.11 0.32 1.25 0.00 0.00 0.00 179.25 179.71 2dk9 h LEU 61 N -0.59 0.84 -0.49 0.00 6.46 -1.92 -2.46 115.31 117.15 2dk9 h LEU 61 Ca -0.06 -0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.63 2dk9 h LEU 61 Cb 0.45 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.14 2dk9 h LEU 61 CO 0.10 0.71 0.31 -0.33 -0.62 0.00 0.00 178.44 178.61 2dk9 h GLU 62 N 0.94 0.61 -0.48 1.25 3.07 -1.92 0.22 114.58 118.27 2dk9 h GLU 62 Ca 0.23 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 59.02 2dk9 h GLU 62 Cb 0.09 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 2dk9 h GLU 62 CO -0.03 0.40 0.16 0.00 -1.40 0.00 0.00 179.01 178.15 2dk9 h ALA 63 N 1.19 0.63 0.04 3.43 0.00 -0.52 -0.33 119.26 123.70 2dk9 h ALA 63 Ca 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2dk9 h ALA 63 Cb -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2dk9 h ALA 63 CO -0.06 0.27 -0.02 1.15 0.00 0.00 0.00 179.25 180.59 2dk9 h THR 64 N 0.64 1.21 -0.63 0.00 2.02 -1.16 -0.82 112.91 114.16 2dk9 h THR 64 Ca 0.16 -0.82 0.01 0.00 0.77 0.00 0.00 66.41 66.53 2dk9 h THR 64 Cb 0.25 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 2dk9 h THR 64 CO -0.01 0.21 0.41 0.00 0.37 0.00 0.00 175.52 176.50 2dk9 h ALA 65 N 0.52 0.81 -0.45 6.16 0.00 -0.55 0.20 119.26 125.95 2dk9 h ALA 65 Ca -0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2dk9 h ALA 65 Cb 0.38 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2dk9 h ALA 65 CO 0.01 0.22 -0.14 2.35 0.00 0.00 0.00 179.25 181.68 2dk9 h TRP 66 N 0.84 0.93 -0.26 0.00 7.01 -1.07 -0.95 115.95 122.45 2dk9 h TRP 66 Ca 0.24 -0.19 -0.13 0.00 2.11 0.00 0.00 58.89 60.91 2dk9 h TRP 66 Cb -0.08 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 26.75 2dk9 h TRP 66 CO -0.03 0.92 -0.36 0.00 -2.79 0.00 0.00 178.44 176.18 2dk9 h ALA 67 N 1.09 0.39 -0.32 2.65 0.00 -0.69 -1.51 119.26 120.87 2dk9 h ALA 67 Ca 0.12 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2dk9 h ALA 67 Cb 0.65 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2dk9 h ALA 67 CO 0.05 0.46 -0.20 -0.07 0.00 0.00 0.00 179.25 179.49 2dk9 h LEU 68 N 0.43 0.73 -0.06 0.00 3.38 -0.56 0.11 115.31 119.34 2dk9 h LEU 68 Ca 0.03 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 2dk9 h LEU 68 Cb 0.94 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2dk9 h LEU 68 CO 0.08 1.00 -0.05 0.50 0.09 0.00 0.00 178.44 180.06 2dk9 h LYS 69 N 0.46 0.14 -0.25 1.13 3.64 -1.22 -2.42 116.57 118.05 2dk9 h LYS 69 Ca 0.07 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2dk9 h LYS 69 Cb 0.74 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2dk9 h LYS 69 CO 0.06 0.55 -0.14 0.28 -2.27 0.00 0.00 179.45 177.93 2dk9 h VAL 70 N -0.27 1.30 -0.98 2.00 2.07 -1.34 -1.41 116.25 117.63 2dk9 h VAL 70 Ca 0.01 -1.24 0.11 0.00 0.82 0.00 0.00 66.70 66.41 2dk9 h VAL 70 Cb 0.52 1.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.77 2dk9 h VAL 70 CO 0.01 0.39 0.62 0.00 0.02 0.00 0.00 177.57 178.61 2dk9 h ALA 71 N 0.72 1.54 -0.27 1.67 0.00 -0.84 1.02 119.26 123.11 2dk9 h ALA 71 Ca 0.05 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2dk9 h ALA 71 Cb 0.65 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2dk9 h ALA 71 CO 0.04 0.24 -0.43 1.49 0.00 0.00 0.00 179.25 180.59 2dk9 h GLU 72 N 0.99 0.66 -0.05 0.00 4.81 -1.29 0.60 114.58 120.31 2dk9 h GLU 72 Ca 0.47 -0.36 -0.20 0.00 -0.13 0.00 0.00 59.36 59.15 2dk9 h GLU 72 Cb 0.44 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.85 2dk9 h GLU 72 CO -0.23 0.96 -0.75 -0.91 -0.73 0.00 0.00 179.01 177.36 2dk9 h ASN 73 N 0.54 0.74 0.18 1.04 2.35 0.22 0.38 115.58 121.01 2dk9 h ASN 73 Ca 0.04 -0.71 -0.26 0.00 -0.55 0.00 0.00 56.30 54.82 2dk9 h ASN 73 Cb 0.97 -0.22 0.02 0.00 0.05 0.00 0.00 38.32 39.14 2dk9 h ASN 73 CO 0.09 1.34 -1.21 -0.33 -1.65 0.00 0.00 177.43 175.67 2dk9 h GLU 74 N 0.20 0.38 0.00 0.81 3.07 0.95 -3.36 114.58 116.62 2dk9 h GLU 74 Ca -0.08 -0.64 -0.27 0.00 -0.50 0.00 0.00 59.36 57.87 2dk9 h GLU 74 Cb 1.41 0.24 -0.04 0.00 -0.84 0.00 0.00 28.75 29.52 2dk9 h GLU 74 CO 0.15 1.31 -1.50 1.25 -1.40 0.00 0.00 179.01 178.82 2dk9 h LEU 75 N -0.16 0.01 0.00 1.33 6.46 0.07 -3.49 115.31 119.54 2dk9 h LEU 75 Ca -0.22 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 2dk9 h LEU 75 Cb 1.87 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.80 2dk9 h LEU 75 CO 0.18 1.02 0.00 0.61 -0.62 0.00 0.00 178.44 179.63 2dk9 n GLY 76 N 1.50 0.77 3.50 3.75 0.00 0.13 -4.99 105.19 109.85 2dk9 n GLY 76 Ca -0.12 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.00 4.15 0.18 -0.61 2.07 -1.12 -5.00 121.20 118.87 2dk9 s ILE 77 Ca 0.00 -0.25 -0.30 0.00 -1.41 0.00 0.00 60.65 58.69 2dk9 s ILE 77 Cb 0.00 -2.87 -0.08 0.00 0.13 0.00 0.00 42.46 39.64 2dk9 s ILE 77 CO 0.00 0.44 1.15 -0.89 -1.91 0.00 0.00 174.94 173.72 2dk9 s THR 78 N 0.81 3.74 0.90 4.00 2.01 -1.26 -3.97 115.64 121.87 2dk9 s THR 78 Ca 0.01 1.48 -0.12 0.00 0.31 0.00 0.00 61.69 63.37 2dk9 s THR 78 Cb -0.14 -3.94 0.10 0.00 0.01 0.00 0.00 72.50 68.52 2dk9 s THR 78 CO 0.02 0.24 0.94 -2.65 -0.69 0.00 0.00 174.62 172.49 2dk9 n PRO 79 N 2.47 -0.26 -0.00 4.92 -0.02 -1.26 -4.98 135.00 135.87 2dk9 n PRO 79 Ca 0.04 -0.01 -0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2dk9 n PRO 79 Cb 0.45 -2.23 -0.01 0.00 -0.02 0.00 0.00 33.50 31.69 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 -3.81 0.06 -3.94 -1.45 0.31 -1.26 -5.07 118.33 103.17 2dk9 n VAL 80 Ca 0.11 -0.05 -0.08 0.00 -0.01 0.00 0.00 64.34 64.30 2dk9 n VAL 80 Cb 0.52 -0.41 -0.08 0.00 -0.91 0.00 0.00 33.84 32.95 2dk9 n VAL 80 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2dk9 s VAL 81 N -2.06 0.16 0.38 2.52 0.11 -1.26 -4.92 120.40 115.33 2dk9 s VAL 81 Ca -0.01 -1.33 -0.24 0.00 -2.93 0.00 0.00 61.98 57.47 2dk9 s VAL 81 Cb 0.01 -1.29 -0.10 0.00 -1.53 0.00 0.00 36.38 33.47 2dk9 s VAL 81 CO 0.06 -0.73 0.99 -0.44 -3.33 0.00 0.00 175.10 171.65 2dk9 s SER 82 N -2.70 6.99 0.20 3.54 0.01 -1.26 -4.97 113.70 115.51 2dk9 s SER 82 Ca 0.03 1.89 -0.12 0.00 1.31 0.00 0.00 55.95 59.07 2dk9 s SER 82 Cb 0.04 -2.57 0.14 0.00 0.21 0.00 0.00 66.02 63.84 2dk9 s SER 82 CO -0.09 -0.32 1.85 0.00 0.41 0.00 0.00 173.24 175.09 2dk9 h ALA 83 N 2.59 0.83 -0.93 1.44 0.00 -1.95 -2.13 119.26 119.12 2dk9 h ALA 83 Ca -0.48 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.52 2dk9 h ALA 83 Cb 1.20 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 2dk9 h ALA 83 CO 0.63 0.20 0.59 0.37 0.00 0.00 0.00 179.25 181.05 2dk9 h GLN 84 N 0.83 0.82 -0.43 0.00 4.15 -1.93 0.67 115.11 119.22 2dk9 h GLN 84 Ca 0.25 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.50 2dk9 h GLN 84 Cb -0.04 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.45 2dk9 h GLN 84 CO -0.08 0.54 -0.21 0.00 -1.93 0.00 0.00 178.83 177.16 2dk9 h ALA 85 N 1.57 0.60 -0.06 3.38 0.00 -1.79 -1.87 119.26 121.09 2dk9 h ALA 85 Ca 0.45 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2dk9 h ALA 85 Cb 0.55 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2dk9 h ALA 85 CO -0.22 0.57 -0.01 0.28 0.00 0.00 0.00 179.25 179.88 2dk9 h VAL 86 N 0.72 1.27 -0.44 0.00 2.07 -0.81 0.10 116.25 119.17 2dk9 h VAL 86 Ca 0.10 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 2dk9 h VAL 86 Cb 0.78 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 2dk9 h VAL 86 CO 0.06 0.23 0.21 1.62 0.02 0.00 0.00 177.57 179.72 2dk9 h VAL 87 N -0.20 1.15 0.00 2.57 3.04 -0.94 -1.48 116.25 120.39 2dk9 h VAL 87 Ca 0.02 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 2dk9 h VAL 87 Cb 0.38 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 2dk9 h VAL 87 CO 0.00 0.17 -0.27 0.00 -1.01 0.00 0.00 177.57 176.46 2dk9 n ALA 88 N -2.47 2.66 -2.16 3.17 0.00 -0.70 -4.66 120.51 116.35 2dk9 n ALA 88 Ca 0.03 -0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.13 2dk9 n ALA 88 Cb 0.12 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 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 1.37 0.19 1.95 0.00 0.00 -0.00 -4.85 105.19 103.85 2dk9 n GLY 89 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.75 3.70 -2.75 1.61 7.64 -1.03 -4.62 113.62 116.41 2dk9 n SER 90 Ca -0.22 -3.68 -0.08 0.00 1.01 0.00 0.00 58.87 55.90 2dk9 n SER 90 Cb 0.66 -0.79 0.05 0.00 -1.01 0.00 0.00 64.21 63.12 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 -1.12 -2.93 -0.28 6.43 8.00 -1.26 -5.02 116.55 120.38 2dk9 n ASP 91 Ca 0.53 -3.28 -0.05 0.00 0.71 0.00 0.00 54.79 52.70 2dk9 n ASP 91 Cb 1.42 1.81 0.06 0.00 -0.02 0.00 0.00 41.12 44.40 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 4.08 1.07 -0.69 -0.24 0.13 -1.88 -2.42 132.00 132.04 2dk9 h PRO 92 Ca -0.13 -0.14 0.05 0.00 -0.87 0.00 0.00 66.00 64.90 2dk9 h PRO 92 Cb 1.03 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 2dk9 h PRO 92 CO 0.31 0.82 0.46 1.25 -0.23 0.00 0.00 178.00 180.60 2dk9 h LEU 93 N 1.05 0.68 -0.16 1.56 6.46 -1.98 -1.96 115.31 120.96 2dk9 h LEU 93 Ca 0.26 -0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.80 2dk9 h LEU 93 Cb 0.08 -0.15 0.01 0.00 -0.73 0.00 0.00 40.66 39.87 2dk9 h LEU 93 CO -0.04 0.45 -0.78 1.23 -0.62 0.00 0.00 178.44 178.69 2dk9 h GLY 94 N 0.78 0.88 1.00 3.75 0.00 -1.85 -2.56 103.07 105.06 2dk9 h GLY 94 Ca 0.29 -1.24 -0.01 0.00 0.00 0.00 0.00 47.33 46.37 2dk9 h GLY 94 CO -0.09 1.10 0.38 -2.00 0.00 0.00 0.00 176.54 175.93 2dk9 h LEU 95 N 0.54 0.79 -0.48 3.11 6.46 -0.95 -1.95 115.31 122.83 2dk9 h LEU 95 Ca -0.05 -0.07 -0.10 0.00 -0.12 0.00 0.00 57.88 57.53 2dk9 h LEU 95 Cb 1.41 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 41.12 2dk9 h LEU 95 CO 0.16 0.63 -0.10 0.40 -0.62 0.00 0.00 178.44 178.92 2dk9 h ILE 96 N 0.88 1.27 -0.93 4.05 1.08 -1.42 -2.28 117.51 120.17 2dk9 h ILE 96 Ca 0.23 -1.23 0.03 0.00 -0.39 0.00 0.00 64.86 63.51 2dk9 h ILE 96 Cb 0.00 1.07 -0.05 0.00 -3.07 0.00 0.00 36.82 34.77 2dk9 h ILE 96 CO -0.04 0.42 0.61 0.00 -0.69 0.00 0.00 178.15 178.45 2dk9 h ALA 97 N 0.89 1.40 -0.32 1.87 0.00 -1.15 -0.94 119.26 121.00 2dk9 h ALA 97 Ca 0.12 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2dk9 h ALA 97 Cb 0.65 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2dk9 h ALA 97 CO 0.04 0.52 -0.26 -0.92 0.00 0.00 0.00 179.25 178.63 2dk9 h TYR 98 N 1.18 0.88 -0.37 0.00 5.03 -1.20 -3.04 116.97 119.44 2dk9 h TYR 98 Ca 0.36 -0.25 -0.04 0.00 2.58 0.00 0.00 58.73 61.39 2dk9 h TYR 98 Cb -0.01 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.06 2dk9 h TYR 98 CO -0.00 1.00 0.08 1.25 -1.32 0.00 0.00 178.16 179.17 2dk9 h LEU 99 N 0.51 0.50 -0.90 2.82 6.46 -0.89 -2.34 115.31 121.47 2dk9 h LEU 99 Ca 0.06 -0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.76 2dk9 h LEU 99 Cb 0.83 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.58 2dk9 h LEU 99 CO 0.07 0.51 0.60 0.28 -0.62 0.00 0.00 178.44 179.28 2dk9 h SER 100 N 0.54 1.02 -0.19 1.25 0.02 -1.08 0.69 113.55 115.80 2dk9 h SER 100 Ca 0.12 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 2dk9 h SER 100 Cb 0.22 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 2dk9 h SER 100 CO -0.00 0.73 -0.21 -0.74 -1.14 0.00 0.00 176.83 175.47 2dk9 h HIS 101 N 1.20 0.59 -0.41 3.45 2.76 -1.41 -0.84 115.15 120.49 2dk9 h HIS 101 Ca 0.34 -0.18 -0.11 0.00 -2.20 0.00 0.00 60.37 58.21 2dk9 h HIS 101 Cb -0.11 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 2dk9 h HIS 101 CO -0.01 0.86 -0.19 0.74 -1.30 0.00 0.00 177.93 178.02 2dk9 h PHE 102 N 0.15 0.97 -0.42 5.26 -1.00 -1.13 -1.30 116.94 119.47 2dk9 h PHE 102 Ca 0.03 -0.24 -0.06 0.00 2.81 0.00 0.00 57.97 60.51 2dk9 h PHE 102 Cb 0.76 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 40.08 2dk9 h PHE 102 CO 0.08 1.01 0.05 1.25 -1.61 0.00 0.00 178.31 179.09 2dk9 h HIS 103 N 0.66 0.77 -0.56 -0.55 2.76 0.37 0.19 115.15 118.80 2dk9 h HIS 103 Ca 0.09 -0.11 -0.08 0.00 -2.20 0.00 0.00 60.37 58.06 2dk9 h HIS 103 Cb 0.75 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.48 2dk9 h HIS 103 CO 0.06 0.75 0.01 0.77 -1.30 0.00 0.00 177.93 178.22 2dk9 h SER 104 N 0.56 0.91 0.10 3.26 0.02 -1.11 -1.88 113.55 115.42 2dk9 h SER 104 Ca 0.13 -0.24 -0.21 0.00 -0.84 0.00 0.00 61.79 60.63 2dk9 h SER 104 Cb 0.41 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2dk9 h SER 104 CO 0.01 0.96 -0.80 0.00 -1.14 0.00 0.00 176.83 175.86 2dk9 h ALA 105 N 1.13 0.43 -0.16 3.77 0.00 -1.07 -3.17 119.26 120.18 2dk9 h ALA 105 Ca 0.16 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 2dk9 h ALA 105 Cb 0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2dk9 h ALA 105 CO 0.02 0.74 -0.21 0.74 0.00 0.00 0.00 179.25 180.54 2dk9 h PHE 106 N 0.38 0.31 -0.07 0.00 -1.00 -0.45 -2.45 116.94 113.65 2dk9 h PHE 106 Ca -0.05 -0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.65 2dk9 h PHE 106 Cb 1.41 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.88 2dk9 h PHE 106 CO 0.07 0.48 -0.11 0.87 -1.61 0.00 0.00 178.31 178.00 2dk9 h LYS 107 N 0.26 0.10 -0.73 1.51 1.57 -1.31 -2.56 116.57 115.42 2dk9 h LYS 107 Ca 0.05 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2dk9 h LYS 107 Cb 0.52 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 2dk9 h LYS 107 CO 0.03 0.22 0.48 0.77 -0.57 0.00 0.00 179.45 180.38 2dk9 h SER 108 N 0.10 0.84 -0.00 0.86 0.02 -1.48 -3.52 113.55 110.37 2dk9 h SER 108 Ca 0.02 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2dk9 h SER 108 Cb 0.26 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2dk9 h SER 108 CO 0.02 0.62 0.00 0.23 -1.14 0.00 0.00 176.83 176.56