#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 4.89 3.06 3.03 0.00 -1.26 -4.87 105.19 110.04 2dk9 n GLY -7 Ca 0.00 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 2dk9 n GLY -7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2dk9 s HIS -6 N -3.25 3.46 0.09 1.61 5.65 -1.26 -5.07 115.29 116.52 2dk9 s HIS -6 Ca 0.45 -2.89 -0.31 0.00 0.25 0.00 0.00 55.06 52.56 2dk9 s HIS -6 Cb 0.41 -3.11 -0.08 0.00 -1.18 0.00 0.00 32.58 28.62 2dk9 s HIS -6 CO -0.00 -0.78 1.42 -1.01 -0.65 0.00 0.00 174.74 173.72 2dk9 s HIS -5 N -0.44 3.09 -0.32 3.88 4.02 -1.26 -5.00 115.29 119.27 2dk9 s HIS -5 Ca 0.19 0.86 -0.08 0.00 1.02 0.00 0.00 55.06 57.05 2dk9 s HIS -5 Cb -0.18 -3.71 0.01 0.00 -1.02 0.00 0.00 32.58 27.68 2dk9 s HIS -5 CO -0.05 -2.57 0.13 -1.01 1.02 0.00 0.00 174.74 172.26 2dk9 s HIS -4 N 1.47 3.18 -0.25 1.40 0.09 -1.26 -5.06 115.29 114.87 2dk9 s HIS -4 Ca 0.65 -0.86 -0.26 0.00 -0.00 0.00 0.00 55.06 54.59 2dk9 s HIS -4 Cb -0.36 -2.32 0.08 0.00 -0.00 0.00 0.00 32.58 29.97 2dk9 s HIS -4 CO 0.30 -0.56 0.78 -1.58 -0.00 0.00 0.00 174.74 173.68 2dk9 s HIS -3 N 1.54 -0.71 0.00 1.40 5.65 -1.26 -5.03 115.29 116.88 2dk9 s HIS -3 Ca 0.03 1.68 0.00 0.00 0.25 0.00 0.00 55.06 57.02 2dk9 s HIS -3 Cb -0.18 0.31 0.00 0.00 -1.18 0.00 0.00 32.58 31.53 2dk9 s HIS -3 CO 0.05 -0.38 0.00 -2.39 -0.65 0.00 0.00 174.74 171.37 2dk9 n HIS -2 N 2.37 0.00 -2.18 3.88 -0.00 -1.26 -5.00 115.22 113.02 2dk9 n HIS -2 Ca -0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.45 2dk9 n HIS -2 Cb 0.55 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.53 2dk9 n HIS -2 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2dk9 n HIS -1 N -0.31 -0.57 -1.34 -1.40 -0.00 -1.26 -4.77 115.22 105.57 2dk9 n HIS -1 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.88 2dk9 n HIS -1 Cb 0.00 -2.81 -0.06 0.00 -0.00 0.00 0.00 29.99 27.12 2dk9 n HIS -1 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2dk9 n MET 0 N -2.27 -2.74 0.00 1.57 2.00 -1.26 -5.04 117.12 109.37 2dk9 n MET 0 Ca -0.15 2.05 0.00 0.00 0.00 0.00 0.00 57.70 59.59 2dk9 n MET 0 Cb 0.60 -3.34 0.00 0.00 0.00 0.00 0.00 33.22 30.48 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 -4.01 -2.12 0.24 3.03 0.00 -1.26 -4.93 105.19 96.14 2dk9 n GLY 1 Ca -0.03 0.69 -0.11 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 0.82 0.54 1.61 0.87 -2.00 -3.06 113.55 112.34 2dk9 h SER 2 Ca 0.00 -0.39 -0.15 0.00 -1.23 0.00 0.00 61.79 60.03 2dk9 h SER 2 Cb 0.00 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 2dk9 h SER 2 CO 0.00 1.13 -0.66 0.00 -0.53 0.00 0.00 176.83 176.77 2dk9 h ALA 3 N 0.90 0.84 0.06 6.23 0.00 -1.98 -2.88 119.26 122.43 2dk9 h ALA 3 Ca 0.04 -0.59 0.01 0.00 0.00 0.00 0.00 54.91 54.37 2dk9 h ALA 3 Cb 0.99 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2dk9 h ALA 3 CO 0.09 0.80 -0.07 0.78 0.00 0.00 0.00 179.25 180.85 2dk9 h GLY 4 N 1.77 -0.13 1.49 0.00 0.00 -1.89 -0.83 103.07 103.48 2dk9 h GLY 4 Ca -0.01 0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.29 2dk9 h GLY 4 CO 0.09 -0.08 -0.28 -0.91 0.00 0.00 0.00 176.54 175.36 2dk9 h THR 5 N -0.15 1.28 -0.22 4.70 1.35 -1.60 -2.82 112.91 115.44 2dk9 h THR 5 Ca 0.01 -1.37 -0.04 0.00 -0.55 0.00 0.00 66.41 64.46 2dk9 h THR 5 Cb 0.16 1.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 2dk9 h THR 5 CO -0.03 0.44 -0.04 -0.61 -0.25 0.00 0.00 175.52 175.02 2dk9 h GLN 6 N 0.50 0.33 -0.28 4.72 4.15 -1.26 -2.62 115.11 120.66 2dk9 h GLN 6 Ca 0.07 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2dk9 h GLN 6 Cb 0.75 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 2dk9 h GLN 6 CO 0.06 0.39 0.13 1.49 -1.93 0.00 0.00 178.83 178.97 2dk9 h GLU 7 N 0.32 0.40 -0.24 1.69 4.81 -0.89 0.25 114.58 120.91 2dk9 h GLU 7 Ca 0.07 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2dk9 h GLU 7 Cb 0.29 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2dk9 h GLU 7 CO 0.01 0.40 -0.19 1.05 -0.73 0.00 0.00 179.01 179.55 2dk9 h GLU 8 N 0.31 0.43 -0.04 1.92 4.11 -1.52 -0.11 114.58 119.67 2dk9 h GLU 8 Ca 0.09 -0.14 -0.07 0.00 0.07 0.00 0.00 59.36 59.31 2dk9 h GLU 8 Cb 0.13 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2dk9 h GLU 8 CO -0.01 0.61 -0.26 -0.07 0.07 0.00 0.00 179.01 179.34 2dk9 h LEU 9 N 0.39 0.30 -0.32 3.06 3.38 -1.21 -2.57 115.31 118.34 2dk9 h LEU 9 Ca 0.07 -0.68 -0.02 0.00 0.09 0.00 0.00 57.88 57.34 2dk9 h LEU 9 Cb 0.56 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2dk9 h LEU 9 CO 0.04 0.93 0.12 -0.07 0.09 0.00 0.00 178.44 179.55 2dk9 h LEU 10 N -0.31 0.45 -0.77 1.67 4.07 -0.43 -1.67 115.31 118.32 2dk9 h LEU 10 Ca -0.02 -0.18 0.01 0.00 0.08 0.00 0.00 57.88 57.77 2dk9 h LEU 10 Cb 0.94 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.52 2dk9 h LEU 10 CO 0.05 0.50 0.51 0.08 -1.08 0.00 0.00 178.44 178.50 2dk9 h ARG 11 N 0.36 1.00 -0.45 1.13 0.11 -1.10 0.45 114.38 115.88 2dk9 h ARG 11 Ca 0.10 -0.06 -0.03 0.00 0.10 0.00 0.00 59.98 60.09 2dk9 h ARG 11 Cb 0.20 -0.22 -0.02 0.00 1.11 0.00 0.00 29.97 31.04 2dk9 h ARG 11 CO -0.01 0.66 0.15 2.35 0.10 0.00 0.00 179.97 183.23 2dk9 h TRP 12 N 1.03 0.71 -0.33 4.08 7.01 -1.29 -0.93 115.95 126.24 2dk9 h TRP 12 Ca 0.29 -0.07 -0.03 0.00 2.11 0.00 0.00 58.89 61.19 2dk9 h TRP 12 Cb -0.09 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 26.74 2dk9 h TRP 12 CO -0.02 0.63 0.08 0.00 -2.79 0.00 0.00 178.44 176.34 2dk9 h GLN 14 N 0.38 1.15 -0.27 0.00 -0.00 -0.80 0.73 115.11 116.30 2dk9 h GLN 14 Ca 0.10 -0.12 -0.04 0.00 -0.00 0.00 0.00 58.65 58.59 2dk9 h GLN 14 Cb 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 27.48 27.53 2dk9 h GLN 14 CO 0.00 0.82 -0.00 1.49 0.00 0.00 0.00 178.83 181.14 2dk9 h GLU 15 N 1.15 0.48 0.00 1.69 4.57 -1.00 -0.56 114.58 120.91 2dk9 h GLU 15 Ca 0.30 -0.15 -0.12 0.00 -1.18 0.00 0.00 59.36 58.20 2dk9 h GLU 15 Cb -0.01 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 2dk9 h GLU 15 CO -0.05 0.64 -0.56 1.96 -1.18 0.00 0.00 179.01 179.82 2dk9 h GLN 16 N 0.26 0.00 -0.32 1.92 7.50 -0.87 -2.82 115.11 120.78 2dk9 h GLN 16 Ca 0.08 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.23 2dk9 h GLN 16 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.96 2dk9 h GLN 16 CO 0.01 0.56 0.00 2.41 -1.50 0.00 0.00 178.83 180.32 2dk9 n THR 17 N -3.71 0.42 -2.78 -0.54 -1.04 0.25 -4.83 114.28 102.05 2dk9 n THR 17 Ca -0.01 -0.49 -0.37 0.00 -2.04 0.00 0.00 64.05 61.14 2dk9 n THR 17 Cb 0.60 0.37 -0.06 0.00 -1.82 0.00 0.00 70.33 69.42 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 -1.58 3.23 0.00 2.41 0.00 -0.23 -4.26 121.76 121.33 2dk9 s ALA 18 Ca 0.30 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2dk9 s ALA 18 Cb 0.16 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 20.10 2dk9 s ALA 18 CO 0.23 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.58 2dk9 n GLY 19 N 0.67 2.87 3.71 0.00 0.00 -1.26 -5.04 105.19 106.14 2dk9 n GLY 19 Ca 0.01 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.17 3.13 -0.70 1.61 1.51 -1.26 -4.89 117.35 116.58 2dk9 s TYR 20 Ca 0.00 0.94 -0.20 0.00 -1.01 0.00 0.00 57.07 56.80 2dk9 s TYR 20 Cb 0.00 -3.65 -0.16 0.00 -0.11 0.00 0.00 41.96 38.04 2dk9 s TYR 20 CO 0.00 -2.30 1.90 -0.35 -1.11 0.00 0.00 175.55 173.69 2dk9 n PRO 21 N 4.40 1.41 0.00 -1.71 -0.04 -1.26 -2.76 135.00 135.04 2dk9 n PRO 21 Ca 0.12 -1.68 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 2dk9 n PRO 21 Cb 0.43 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 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 4.45 0.00 3.18 0.55 0.00 -1.26 -5.15 105.19 106.97 2dk9 n GLY 22 Ca 0.47 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.16 2dk9 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk9 s VAL 23 N 0.00 2.42 -0.61 1.61 0.11 -1.11 -5.04 120.40 117.78 2dk9 s VAL 23 Ca 0.00 -0.82 0.06 0.00 -2.93 0.00 0.00 61.98 58.29 2dk9 s VAL 23 Cb 0.00 -2.04 0.26 0.00 -1.53 0.00 0.00 36.38 33.07 2dk9 s VAL 23 CO 0.00 0.51 0.76 1.57 -3.33 0.00 0.00 175.10 174.61 2dk9 n HIS 24 N 4.59 3.43 -2.15 1.54 -0.00 -1.26 -4.99 115.22 116.37 2dk9 n HIS 24 Ca -0.20 -4.10 -0.33 0.00 0.46 0.00 0.00 57.72 53.55 2dk9 n HIS 24 Cb 0.50 -0.54 -0.04 0.00 -0.12 0.00 0.00 29.99 29.80 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 -2.68 3.51 0.00 3.57 1.01 -1.26 -4.53 120.40 120.02 2dk9 s VAL 25 Ca 0.41 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.21 2dk9 s VAL 25 Cb 0.17 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.37 2dk9 s VAL 25 CO -0.04 -1.14 0.81 -1.20 0.00 0.00 0.00 175.10 173.53 2dk9 n SER 26 N 12.57 0.01 -3.93 3.32 7.64 -1.26 -4.54 113.62 127.42 2dk9 n SER 26 Ca 0.30 -1.60 -0.13 0.00 1.01 0.00 0.00 58.87 58.45 2dk9 n SER 26 Cb 0.49 -0.11 -0.13 0.00 -1.01 0.00 0.00 64.21 63.45 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 -0.64 0.31 -0.61 6.43 1.11 -1.26 -5.04 116.67 116.97 2dk9 s ASP 27 Ca 0.01 -0.16 -0.01 0.00 0.18 0.00 0.00 52.55 52.57 2dk9 s ASP 27 Cb 0.01 -0.00 0.44 0.00 1.07 0.00 0.00 42.92 44.44 2dk9 s ASP 27 CO -0.01 -0.05 2.02 -0.11 1.18 0.00 0.00 175.17 178.21 2dk9 n LEU 28 N 2.65 7.50 0.00 1.23 0.00 -1.26 -4.21 117.00 122.91 2dk9 n LEU 28 Ca -0.15 -4.12 0.00 0.00 0.00 0.00 0.00 56.01 51.73 2dk9 n LEU 28 Cb 0.58 -0.97 0.00 0.00 0.00 0.00 0.00 43.42 43.03 2dk9 n LEU 28 CO 0.24 1.41 0.00 -1.20 0.00 0.00 0.00 177.39 177.84 2dk9 n SER 29 N -0.80 0.00 -0.33 1.96 7.64 -1.26 -4.87 113.62 115.96 2dk9 n SER 29 Ca 0.59 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.53 2dk9 n SER 29 Cb 0.73 0.07 0.25 0.00 -1.01 0.00 0.00 64.21 64.24 2dk9 n SER 29 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dk9 h SER 30 N 0.00 0.91 -0.19 6.43 0.02 -1.85 -0.48 113.55 118.38 2dk9 h SER 30 Ca 0.00 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.03 2dk9 h SER 30 Cb 0.00 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 2dk9 h SER 30 CO 0.00 0.54 0.27 0.28 -1.14 0.00 0.00 176.83 176.78 2dk9 h SER 31 N 1.00 0.00 -0.59 3.07 0.02 -1.93 0.35 113.55 115.47 2dk9 h SER 31 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 2dk9 h SER 31 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2dk9 h SER 31 CO -0.19 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.29 2dk9 n TRP 32 N -3.55 1.35 0.23 3.45 7.02 -0.19 -4.15 117.44 121.60 2dk9 n TRP 32 Ca 0.02 -0.62 -0.15 0.00 -1.02 0.00 0.00 57.50 55.72 2dk9 n TRP 32 Cb 0.39 -0.23 -0.08 0.00 -2.42 0.00 0.00 31.31 28.97 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 3.73 -0.56 -0.30 6.99 0.00 -0.26 -2.49 119.26 126.37 2dk9 h ALA 33 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2dk9 h ALA 33 Cb 1.39 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2dk9 h ALA 33 CO 0.21 -0.82 0.00 -0.40 0.00 0.00 0.00 179.25 178.24 2dk9 n ASP 34 N -5.35 1.60 -1.77 0.00 5.68 -1.26 -4.51 116.55 110.93 2dk9 n ASP 34 Ca -0.10 -2.00 -0.15 0.00 -0.50 0.00 0.00 54.79 52.03 2dk9 n ASP 34 Cb 0.25 -0.20 -0.00 0.00 -1.14 0.00 0.00 41.12 40.03 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 0.97 -0.23 0.16 6.12 0.00 -0.94 -4.63 105.19 106.65 2dk9 n GLY 35 Ca 0.10 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.17 0.40 -0.14 0.99 -0.00 -1.82 -1.67 115.31 112.90 2dk9 h LEU 36 Ca -0.36 -0.28 -0.04 0.00 -0.00 0.00 0.00 57.88 57.20 2dk9 h LEU 36 Cb 1.26 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 41.80 2dk9 h LEU 36 CO 0.41 1.02 -0.08 0.00 -0.00 0.00 0.00 178.44 179.79 2dk9 h ALA 37 N 0.97 0.20 -0.18 1.53 0.00 -1.91 0.12 119.26 119.99 2dk9 h ALA 37 Ca -0.03 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 2dk9 h ALA 37 Cb 1.34 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2dk9 h ALA 37 CO 0.13 0.01 -0.12 -0.07 0.00 0.00 0.00 179.25 179.20 2dk9 h LEU 38 N -0.05 0.42 -0.42 0.00 4.07 -1.94 -2.55 115.31 114.84 2dk9 h LEU 38 Ca 0.03 -0.44 -0.07 0.00 0.08 0.00 0.00 57.88 57.48 2dk9 h LEU 38 Cb 0.57 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 2dk9 h LEU 38 CO 0.02 0.77 -0.01 0.00 -1.08 0.00 0.00 178.44 178.14 2dk9 h ALA 40 N 0.89 0.63 0.04 0.00 0.00 -0.77 0.71 119.26 120.76 2dk9 h ALA 40 Ca 0.12 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dk9 h ALA 40 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2dk9 h ALA 40 CO 0.02 -0.12 -0.02 -0.07 0.00 0.00 0.00 179.25 179.07 2dk9 h LEU 41 N 0.47 -0.05 -1.09 0.00 3.38 -1.38 -0.72 115.31 115.92 2dk9 h LEU 41 Ca 0.22 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.03 2dk9 h LEU 41 Cb 0.14 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2dk9 h LEU 41 CO -0.16 0.17 0.62 0.58 0.09 0.00 0.00 178.44 179.73 2dk9 h VAL 42 N -0.27 1.15 -0.40 1.22 2.07 -1.14 -1.89 116.25 116.99 2dk9 h VAL 42 Ca -0.01 -0.40 -0.14 0.00 0.82 0.00 0.00 66.70 66.97 2dk9 h VAL 42 Cb 0.24 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 2dk9 h VAL 42 CO 0.01 0.21 -0.31 0.22 0.02 0.00 0.00 177.57 177.72 2dk9 h TYR 43 N 1.17 1.09 -0.05 1.57 3.20 -0.73 0.85 116.97 124.06 2dk9 h TYR 43 Ca 0.38 -0.31 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 2dk9 h TYR 43 Cb 0.03 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 2dk9 h TYR 43 CO -0.00 1.12 -0.11 -0.09 -1.64 0.00 0.00 178.16 177.44 2dk9 h ARG 44 N 0.74 0.08 0.00 1.82 9.65 -0.56 0.17 114.38 126.28 2dk9 h ARG 44 Ca 0.08 -0.01 -0.29 0.00 -1.10 0.00 0.00 59.98 58.65 2dk9 h ARG 44 Cb 0.90 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.42 2dk9 h ARG 44 CO 0.08 0.20 -1.63 1.28 2.80 0.00 0.00 179.97 182.70 2dk9 n LEU 45 N -4.36 1.89 -3.30 3.80 4.77 -0.76 -4.67 117.00 114.37 2dk9 n LEU 45 Ca -0.02 0.40 -0.27 0.00 -0.03 0.00 0.00 56.01 56.10 2dk9 n LEU 45 Cb 0.21 -0.92 -0.07 0.00 -2.33 0.00 0.00 43.42 40.32 2dk9 n LEU 45 CO 0.36 0.34 0.08 0.00 -1.33 0.00 0.00 177.39 176.84 2dk9 n GLN 46 N -4.38 2.62 0.21 3.23 10.64 0.29 -4.88 117.38 125.11 2dk9 n GLN 46 Ca -0.38 -4.65 0.06 0.00 -1.83 0.00 0.00 57.00 50.20 2dk9 n GLN 46 Cb 0.73 -2.21 0.44 0.00 -0.86 0.00 0.00 30.24 28.34 2dk9 n GLN 46 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 2dk9 h PRO 47 N 3.87 0.00 0.00 2.61 0.13 -0.79 -2.51 132.00 135.32 2dk9 h PRO 47 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2dk9 h PRO 47 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 2dk9 h PRO 47 CO 0.82 0.31 0.00 0.78 -0.23 0.00 0.00 178.00 179.68 2dk9 h GLY 48 N 1.34 0.00 -3.11 1.56 0.00 -1.90 -3.08 103.07 97.89 2dk9 h GLY 48 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 2dk9 h GLY 48 CO 0.04 0.00 -0.85 1.04 0.00 0.00 0.00 176.54 176.77 2dk9 n LEU 49 N -2.37 2.51 -3.79 3.11 4.77 -0.96 -5.06 117.00 115.21 2dk9 n LEU 49 Ca 0.02 -3.40 -0.10 0.00 -0.03 0.00 0.00 56.01 52.50 2dk9 n LEU 49 Cb 0.25 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.14 2dk9 n LEU 49 CO 0.21 1.24 -0.02 -0.22 -1.33 0.00 0.00 177.39 177.28 2dk9 s LEU 50 N -2.57 1.11 -0.43 2.23 1.98 -1.11 -5.00 118.68 114.89 2dk9 s LEU 50 Ca 0.38 -0.47 0.07 0.00 -2.89 0.00 0.00 54.13 51.21 2dk9 s LEU 50 Cb 0.37 1.25 0.24 0.00 0.66 0.00 0.00 46.19 48.71 2dk9 s LEU 50 CO -0.07 -0.72 0.66 -0.62 -1.89 0.00 0.00 176.35 173.71 2dk9 n GLU 51 N 0.09 0.69 -0.14 1.98 1.02 -1.26 -4.88 120.64 118.14 2dk9 n GLU 51 Ca -0.16 -2.61 -0.05 0.00 -0.02 0.00 0.00 57.16 54.32 2dk9 n GLU 51 Cb 0.62 -1.35 0.04 0.00 -0.02 0.00 0.00 31.44 30.73 2dk9 n GLU 51 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2dk9 h PRO 52 N 4.15 0.36 -0.68 3.49 0.13 -1.98 -1.80 132.00 135.68 2dk9 h PRO 52 Ca 0.00 -0.02 0.17 0.00 -0.87 0.00 0.00 66.00 65.28 2dk9 h PRO 52 Cb 0.95 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.96 2dk9 h PRO 52 CO 0.39 0.24 0.47 0.66 -0.23 0.00 0.00 178.00 179.52 2dk9 h SER 53 N 0.37 0.17 0.01 1.44 4.64 -1.96 1.22 113.55 119.43 2dk9 h SER 53 Ca 0.21 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2dk9 h SER 53 Cb 0.18 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2dk9 h SER 53 CO -0.19 0.08 -0.01 -0.08 -0.87 0.00 0.00 176.83 175.77 2dk9 h GLU 54 N 0.18 -0.02 -0.00 4.77 4.81 -1.76 -3.26 114.58 119.31 2dk9 h GLU 54 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2dk9 h GLU 54 Cb 1.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2dk9 h GLU 54 CO -0.06 0.54 -0.21 1.28 -0.73 0.00 0.00 179.01 179.83 2dk9 n LEU 55 N -4.83 0.24 -0.21 1.64 7.99 -0.78 -2.89 117.00 118.16 2dk9 n LEU 55 Ca -0.09 0.26 -0.00 0.00 -0.01 0.00 0.00 56.01 56.17 2dk9 n LEU 55 Cb 0.29 -0.38 0.23 0.00 -0.11 0.00 0.00 43.42 43.45 2dk9 n LEU 55 CO 0.33 0.06 1.20 -0.61 -1.51 0.00 0.00 177.39 176.86 2dk9 h GLN 56 N 0.04 0.99 0.00 3.23 4.15 0.14 -3.29 115.11 120.37 2dk9 h GLN 56 Ca 0.00 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 2dk9 h GLN 56 Cb 0.49 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2dk9 h GLN 56 CO 0.00 0.69 -1.22 0.41 -1.93 0.00 0.00 178.83 176.78 2dk9 n GLY 57 N -1.33 -0.18 0.42 2.39 0.00 -1.25 -4.65 105.19 100.59 2dk9 n GLY 57 Ca 0.08 -0.07 0.23 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 0.35 0.00 0.99 4.07 -1.62 -3.45 115.31 115.65 2dk9 h LEU 58 Ca -0.06 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2dk9 h LEU 58 Cb 0.83 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.56 2dk9 h LEU 58 CO 0.00 0.10 0.00 0.61 -1.08 0.00 0.00 178.44 178.08 2dk9 n GLY 59 N -1.54 2.46 0.11 0.83 0.00 -1.24 -4.98 105.19 100.83 2dk9 n GLY 59 Ca 0.22 -0.46 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.17 -0.79 4.61 0.00 -1.82 -2.27 119.26 118.81 2dk9 h ALA 60 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.86 2dk9 h ALA 60 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2dk9 h ALA 60 CO 0.00 -0.16 0.52 -0.07 0.00 0.00 0.00 179.25 179.54 2dk9 h LEU 61 N -1.03 0.84 -0.50 0.00 3.38 -1.92 -1.57 115.31 114.51 2dk9 h LEU 61 Ca -0.02 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 2dk9 h LEU 61 Cb 0.22 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2dk9 h LEU 61 CO 0.03 0.58 -0.14 -0.33 0.09 0.00 0.00 178.44 178.67 2dk9 h GLU 62 N 0.98 0.99 -0.55 1.13 3.07 -1.94 -1.86 114.58 116.38 2dk9 h GLU 62 Ca 0.32 -0.39 -0.04 0.00 -0.50 0.00 0.00 59.36 58.75 2dk9 h GLU 62 Cb 0.04 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 2dk9 h GLU 62 CO -0.09 1.06 0.19 0.00 -1.40 0.00 0.00 179.01 178.77 2dk9 h ALA 63 N 0.89 0.73 -0.22 3.43 0.00 -0.75 0.16 119.26 123.51 2dk9 h ALA 63 Ca 0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2dk9 h ALA 63 Cb 0.71 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2dk9 h ALA 63 CO 0.05 0.38 0.03 1.15 0.00 0.00 0.00 179.25 180.86 2dk9 h THR 64 N 0.77 1.23 -0.41 0.00 2.02 -1.24 0.44 112.91 115.72 2dk9 h THR 64 Ca 0.18 -0.76 -0.07 0.00 0.77 0.00 0.00 66.41 66.53 2dk9 h THR 64 Cb 0.26 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2dk9 h THR 64 CO -0.01 0.24 0.00 0.00 0.37 0.00 0.00 175.52 176.12 2dk9 h ALA 65 N 0.84 0.55 -0.00 6.16 0.00 -1.24 0.96 119.26 126.53 2dk9 h ALA 65 Ca 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2dk9 h ALA 65 Cb 0.33 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2dk9 h ALA 65 CO 0.00 0.33 0.00 2.35 0.00 0.00 0.00 179.25 181.94 2dk9 h TRP 66 N 0.56 0.00 -0.67 0.00 7.01 -0.63 -0.43 115.95 121.79 2dk9 h TRP 66 Ca 0.12 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.04 2dk9 h TRP 66 Cb 0.48 -0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.51 2dk9 h TRP 66 CO 0.04 0.27 0.14 0.00 -2.79 0.00 0.00 178.44 176.09 2dk9 h ALA 67 N 0.74 0.98 -0.34 2.65 0.00 -0.91 -1.14 119.26 121.23 2dk9 h ALA 67 Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2dk9 h ALA 67 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2dk9 h ALA 67 CO 0.00 0.65 0.05 1.25 0.00 0.00 0.00 179.25 181.20 2dk9 h LEU 68 N 1.02 0.56 -0.12 0.00 5.85 -0.74 0.42 115.31 122.30 2dk9 h LEU 68 Ca 0.21 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2dk9 h LEU 68 Cb 0.39 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2dk9 h LEU 68 CO 0.01 0.68 0.02 0.50 -0.34 0.00 0.00 178.44 179.31 2dk9 h LYS 69 N 0.41 0.19 -0.32 1.25 3.11 -0.94 -1.80 116.57 118.46 2dk9 h LYS 69 Ca 0.10 -0.05 -0.09 0.00 -2.81 0.00 0.00 60.65 57.79 2dk9 h LYS 69 Cb 0.37 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.57 2dk9 h LYS 69 CO 0.01 0.40 -0.17 -0.39 -2.81 0.00 0.00 179.45 176.49 2dk9 h VAL 70 N -0.04 1.29 -0.53 2.00 -1.51 -1.20 -0.35 116.25 115.90 2dk9 h VAL 70 Ca 0.03 -1.28 0.07 0.00 -1.23 0.00 0.00 66.70 64.29 2dk9 h VAL 70 Cb 0.30 1.44 -0.06 0.00 -2.13 0.00 0.00 31.29 30.84 2dk9 h VAL 70 CO 0.00 0.41 0.22 0.00 -1.23 0.00 0.00 177.57 176.97 2dk9 h ALA 71 N 0.76 0.67 -0.27 5.19 0.00 -0.14 0.89 119.26 126.36 2dk9 h ALA 71 Ca 0.07 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 2dk9 h ALA 71 Cb 0.70 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2dk9 h ALA 71 CO 0.05 -0.17 -0.42 1.05 0.00 0.00 0.00 179.25 179.76 2dk9 h GLU 72 N 0.41 0.67 -0.34 0.00 4.11 -1.27 0.23 114.58 118.39 2dk9 h GLU 72 Ca 0.25 -0.36 -0.14 0.00 0.07 0.00 0.00 59.36 59.19 2dk9 h GLU 72 Cb 0.25 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2dk9 h GLU 72 CO -0.23 0.97 -0.33 -0.91 0.07 0.00 0.00 179.01 178.58 2dk9 h ASN 73 N 0.55 0.88 0.19 3.06 4.21 -0.02 1.04 115.58 125.49 2dk9 h ASN 73 Ca 0.04 -0.46 -0.27 0.00 1.21 0.00 0.00 56.30 56.82 2dk9 h ASN 73 Cb 0.95 -0.25 0.03 0.00 -1.12 0.00 0.00 38.32 37.93 2dk9 h ASN 73 CO 0.09 1.16 -1.19 -0.33 -1.29 0.00 0.00 177.43 175.87 2dk9 h GLU 74 N 0.61 0.40 0.05 0.81 3.07 0.79 -3.38 114.58 116.94 2dk9 h GLU 74 Ca 0.06 -0.69 -0.32 0.00 -0.50 0.00 0.00 59.36 57.90 2dk9 h GLU 74 Cb 0.91 0.26 -0.04 0.00 -0.84 0.00 0.00 28.75 29.04 2dk9 h GLU 74 CO 0.08 1.33 -1.86 -0.11 -1.40 0.00 0.00 179.01 177.05 2dk9 n LEU 75 N -3.91 1.56 0.00 1.33 -0.00 0.81 -5.00 117.00 111.78 2dk9 n LEU 75 Ca -0.17 0.31 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 2dk9 n LEU 75 Cb 0.96 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 44.05 2dk9 n LEU 75 CO 0.53 0.58 0.00 0.61 -0.00 0.00 0.00 177.39 179.11 2dk9 n GLY 76 N 1.74 1.18 3.66 -3.96 0.00 0.36 -5.01 105.19 103.16 2dk9 n GLY 76 Ca -0.24 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 2dk9 n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dk9 s ILE 77 N -2.00 5.33 0.14 -0.61 1.01 -1.15 -5.00 121.20 118.92 2dk9 s ILE 77 Ca 0.00 0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.61 2dk9 s ILE 77 Cb 0.00 -3.54 -0.07 0.00 0.01 0.00 0.00 42.46 38.86 2dk9 s ILE 77 CO 0.00 0.33 1.17 0.28 0.00 0.00 0.00 174.94 176.72 2dk9 s THR 78 N 1.10 3.82 0.49 2.92 -1.32 -1.26 -4.21 115.64 117.18 2dk9 s THR 78 Ca 0.09 1.46 -0.23 0.00 -1.21 0.00 0.00 61.69 61.81 2dk9 s THR 78 Cb -0.14 -3.94 -0.08 0.00 -1.51 0.00 0.00 72.50 66.84 2dk9 s THR 78 CO 0.05 0.20 1.09 -2.65 -2.21 0.00 0.00 174.62 171.10 2dk9 n PRO 79 N 2.93 1.40 -0.01 7.08 -0.02 -1.26 -4.94 135.00 140.17 2dk9 n PRO 79 Ca 0.05 0.51 -0.01 0.00 -2.02 0.00 0.00 63.50 62.04 2dk9 n PRO 79 Cb 0.46 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 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 -0.83 0.12 -4.15 -1.45 0.31 -1.26 -5.07 118.33 106.00 2dk9 n VAL 80 Ca 0.10 -0.09 -0.10 0.00 -0.01 0.00 0.00 64.34 64.24 2dk9 n VAL 80 Cb 0.42 -0.62 -0.10 0.00 -0.91 0.00 0.00 33.84 32.63 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 -2.08 0.63 0.44 2.52 1.01 -1.26 -5.07 120.40 116.59 2dk9 s VAL 81 Ca -0.01 -1.85 -0.09 0.00 0.00 0.00 0.00 61.98 60.02 2dk9 s VAL 81 Cb 0.01 -1.58 -0.06 0.00 0.00 0.00 0.00 36.38 34.76 2dk9 s VAL 81 CO 0.09 -0.84 0.80 -0.55 0.00 0.00 0.00 175.10 174.60 2dk9 s SER 82 N -2.91 6.44 0.17 3.32 0.15 -1.26 -4.99 113.70 114.63 2dk9 s SER 82 Ca 0.09 1.12 -0.13 0.00 0.70 0.00 0.00 55.95 57.73 2dk9 s SER 82 Cb 0.04 -2.32 0.07 0.00 -1.71 0.00 0.00 66.02 62.10 2dk9 s SER 82 CO -0.05 -0.48 1.77 0.00 1.20 0.00 0.00 173.24 175.68 2dk9 h ALA 83 N 0.90 0.73 -0.88 5.45 0.00 -1.95 -2.45 119.26 121.06 2dk9 h ALA 83 Ca -0.47 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.44 2dk9 h ALA 83 Cb 1.19 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 2dk9 h ALA 83 CO 0.63 0.27 0.57 1.96 0.00 0.00 0.00 179.25 182.68 2dk9 h GLN 84 N 0.77 0.79 -0.29 0.00 1.08 -1.95 0.21 115.11 115.72 2dk9 h GLN 84 Ca 0.20 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.27 2dk9 h GLN 84 Cb 0.09 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 2dk9 h GLN 84 CO -0.03 0.52 -0.15 0.00 -0.95 0.00 0.00 178.83 178.23 2dk9 h ALA 85 N 1.57 0.41 0.07 3.87 0.00 -1.84 0.02 119.26 123.36 2dk9 h ALA 85 Ca 0.42 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2dk9 h ALA 85 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2dk9 h ALA 85 CO -0.18 0.31 -0.03 0.28 0.00 0.00 0.00 179.25 179.62 2dk9 h VAL 86 N 0.37 1.17 -0.52 0.00 2.07 -0.89 0.30 116.25 118.75 2dk9 h VAL 86 Ca 0.06 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 2dk9 h VAL 86 Cb 0.67 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 2dk9 h VAL 86 CO 0.04 0.21 0.16 0.58 0.02 0.00 0.00 177.57 178.59 2dk9 h VAL 87 N -0.48 1.21 0.00 2.57 2.07 -0.68 -2.05 116.25 118.89 2dk9 h VAL 87 Ca -0.01 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2dk9 h VAL 87 Cb 0.41 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2dk9 h VAL 87 CO 0.02 0.27 -0.28 0.00 0.02 0.00 0.00 177.57 177.60 2dk9 n ALA 88 N -2.46 2.66 -2.18 1.67 0.00 -0.01 -4.49 120.51 115.70 2dk9 n ALA 88 Ca 0.04 -0.15 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 2dk9 n ALA 88 Cb 0.19 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 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 0.03 2.16 0.00 0.00 0.95 -4.88 105.19 104.83 2dk9 n GLY 89 Ca 0.05 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 2dk9 n GLY 89 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dk9 n SER 90 N -1.33 4.08 -2.74 1.61 2.88 -0.52 -4.52 113.62 113.07 2dk9 n SER 90 Ca -0.21 -3.52 -0.08 0.00 -1.33 0.00 0.00 58.87 53.74 2dk9 n SER 90 Cb 0.65 -0.83 0.05 0.00 -0.75 0.00 0.00 64.21 63.33 2dk9 n SER 90 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2dk9 n ASP 91 N -1.01 -2.75 -0.31 -3.46 8.00 -1.25 -4.99 116.55 110.78 2dk9 n ASP 91 Ca 0.56 -3.20 -0.05 0.00 0.71 0.00 0.00 54.79 52.81 2dk9 n ASP 91 Cb 1.51 1.75 0.07 0.00 -0.02 0.00 0.00 41.12 44.43 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 3.88 1.18 -0.70 -0.24 0.13 -1.89 -2.46 132.00 131.88 2dk9 h PRO 92 Ca -0.16 -0.16 0.05 0.00 -0.87 0.00 0.00 66.00 64.86 2dk9 h PRO 92 Cb 1.05 -0.22 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 2dk9 h PRO 92 CO 0.28 0.89 0.46 -0.07 -0.23 0.00 0.00 178.00 179.33 2dk9 h LEU 93 N 1.17 0.70 -0.24 1.56 4.07 -1.98 -2.16 115.31 118.42 2dk9 h LEU 93 Ca 0.29 -0.00 -0.21 0.00 0.08 0.00 0.00 57.88 58.03 2dk9 h LEU 93 Cb 0.08 -0.16 0.01 0.00 1.08 0.00 0.00 40.66 41.67 2dk9 h LEU 93 CO -0.04 0.47 -0.74 1.23 -1.08 0.00 0.00 178.44 178.28 2dk9 h GLY 94 N 0.80 0.79 1.01 0.83 0.00 -1.88 -2.56 103.07 102.07 2dk9 h GLY 94 Ca 0.29 -1.09 0.01 0.00 0.00 0.00 0.00 47.33 46.54 2dk9 h GLY 94 CO -0.09 0.97 0.45 1.41 0.00 0.00 0.00 176.54 179.28 2dk9 h LEU 95 N 0.50 0.78 -0.17 3.11 4.07 -0.98 0.22 115.31 122.84 2dk9 h LEU 95 Ca -0.04 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.86 2dk9 h LEU 95 Cb 1.36 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 42.89 2dk9 h LEU 95 CO 0.15 0.57 -0.05 0.40 -1.08 0.00 0.00 178.44 178.42 2dk9 h ILE 96 N 0.92 1.30 -0.81 1.22 1.08 -1.46 -0.28 117.51 119.49 2dk9 h ILE 96 Ca 0.25 -1.05 0.01 0.00 -0.39 0.00 0.00 64.86 63.68 2dk9 h ILE 96 Cb -0.11 1.64 -0.04 0.00 -3.07 0.00 0.00 36.82 35.25 2dk9 h ILE 96 CO -0.05 0.31 0.53 0.00 -0.69 0.00 0.00 178.15 178.25 2dk9 h ALA 97 N 0.70 1.03 -0.08 1.87 0.00 -1.24 0.17 119.26 121.71 2dk9 h ALA 97 Ca 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2dk9 h ALA 97 Cb 0.50 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2dk9 h ALA 97 CO 0.02 0.43 -0.05 -0.92 0.00 0.00 0.00 179.25 178.72 2dk9 h TYR 98 N 1.09 0.20 -0.83 0.00 3.20 -0.91 -2.67 116.97 117.06 2dk9 h TYR 98 Ca 0.30 -0.06 0.04 0.00 3.14 0.00 0.00 58.73 62.16 2dk9 h TYR 98 Cb -0.12 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.05 2dk9 h TYR 98 CO -0.02 0.58 0.52 1.25 -1.64 0.00 0.00 178.16 178.85 2dk9 h LEU 99 N -0.23 0.84 -1.18 2.82 6.46 -0.84 -1.39 115.31 121.79 2dk9 h LEU 99 Ca 0.02 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 2dk9 h LEU 99 Cb 0.53 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.25 2dk9 h LEU 99 CO 0.01 0.57 0.30 -1.28 -0.62 0.00 0.00 178.44 177.42 2dk9 h SER 100 N 0.99 0.78 -0.37 1.25 0.87 -0.95 -1.06 113.55 115.06 2dk9 h SER 100 Ca 0.34 -0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.72 2dk9 h SER 100 Cb 0.07 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 2dk9 h SER 100 CO -0.14 0.66 -0.19 -0.74 -0.53 0.00 0.00 176.83 175.89 2dk9 h HIS 101 N 0.87 0.90 -0.24 2.24 2.76 -0.95 0.11 115.15 120.85 2dk9 h HIS 101 Ca 0.22 -0.23 -0.02 0.00 -2.20 0.00 0.00 60.37 58.13 2dk9 h HIS 101 Cb 0.08 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 2dk9 h HIS 101 CO 0.01 0.98 0.06 0.74 -1.30 0.00 0.00 177.93 178.41 2dk9 h PHE 102 N 0.57 0.39 0.09 5.26 0.04 -0.91 0.27 116.94 122.65 2dk9 h PHE 102 Ca 0.08 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 2dk9 h PHE 102 Cb 0.75 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.79 2dk9 h PHE 102 CO 0.06 0.47 -0.04 1.25 -0.60 0.00 0.00 178.31 179.45 2dk9 h HIS 103 N 0.20 -0.11 -0.61 -0.55 2.76 -1.20 -0.52 115.15 115.12 2dk9 h HIS 103 Ca 0.07 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 2dk9 h HIS 103 Cb 0.28 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 2dk9 h HIS 103 CO 0.01 0.21 0.24 0.66 -1.30 0.00 0.00 177.93 177.75 2dk9 h SER 104 N -0.44 0.84 -0.35 3.26 4.64 -0.99 0.76 113.55 121.27 2dk9 h SER 104 Ca -0.01 -0.18 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 2dk9 h SER 104 Cb 0.37 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2dk9 h SER 104 CO 0.02 0.79 0.02 0.00 -0.87 0.00 0.00 176.83 176.79 2dk9 h ALA 105 N 1.09 0.47 -0.03 5.18 0.00 -0.48 -2.62 119.26 122.87 2dk9 h ALA 105 Ca 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2dk9 h ALA 105 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2dk9 h ALA 105 CO -0.02 0.22 0.00 1.19 0.00 0.00 0.00 179.25 180.64 2dk9 n PHE 106 N -4.53 0.04 0.02 0.00 3.72 -0.21 -3.48 117.46 113.02 2dk9 n PHE 106 Ca -0.02 -0.02 -0.08 0.00 -0.05 0.00 0.00 57.45 57.28 2dk9 n PHE 106 Cb 0.26 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.67 2dk9 n PHE 106 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2dk9 h LYS 107 N 0.87 0.02 -1.10 -1.08 1.79 -0.45 -3.32 116.57 113.29 2dk9 h LYS 107 Ca 0.00 -0.03 -0.57 0.00 -2.18 0.00 0.00 60.65 57.87 2dk9 h LYS 107 Cb 0.19 0.01 -0.26 0.00 -1.58 0.00 0.00 32.23 30.59 2dk9 h LYS 107 CO 0.00 0.75 0.74 0.43 -1.08 0.00 0.00 179.45 180.29 2dk9 n SER 108 N -3.20 6.75 -0.56 0.86 7.64 -1.21 -5.08 113.62 118.82 2dk9 n SER 108 Ca -0.10 -3.58 0.14 0.00 1.01 0.00 0.00 58.87 56.34 2dk9 n SER 108 Cb 1.00 -0.96 0.46 0.00 -1.01 0.00 0.00 64.21 63.70 2dk9 n SER 108 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83