#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 -1.85 2.71 -5.12 0.00 -1.26 -4.92 105.19 94.76 2dk9 n GLY -7 Ca 0.00 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.59 2dk9 n GLY -7 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2dk9 n HIS -6 N -2.79 -3.36 -2.79 1.61 -0.00 -1.26 -5.05 115.22 101.58 2dk9 n HIS -6 Ca -0.00 -1.70 -0.06 0.00 -0.00 0.00 0.00 57.72 55.95 2dk9 n HIS -6 Cb 0.29 1.35 0.01 0.00 -0.00 0.00 0.00 29.99 31.64 2dk9 n HIS -6 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2dk9 n HIS -5 N 2.52 -3.56 -1.68 1.57 -0.00 -1.26 -5.16 115.22 107.65 2dk9 n HIS -5 Ca 0.17 -1.57 -0.30 0.00 -0.00 0.00 0.00 57.72 56.02 2dk9 n HIS -5 Cb 0.57 1.42 0.21 0.00 -0.00 0.00 0.00 29.99 32.20 2dk9 n HIS -5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2dk9 s HIS -4 N 0.77 1.08 -0.02 1.57 5.04 -1.26 -5.02 115.29 117.44 2dk9 s HIS -4 Ca 0.31 0.31 -0.17 0.00 -1.54 0.00 0.00 55.06 53.97 2dk9 s HIS -4 Cb 0.05 -3.99 -0.09 0.00 0.04 0.00 0.00 32.58 28.59 2dk9 s HIS -4 CO -0.10 -3.13 0.72 1.25 -2.34 0.00 0.00 174.74 171.14 2dk9 h HIS -3 N -2.00 -0.56 -3.31 3.88 -0.00 -2.04 -3.44 115.15 107.67 2dk9 h HIS -3 Ca -0.44 -0.01 -0.66 0.00 -0.00 0.00 0.00 60.37 59.26 2dk9 h HIS -3 Cb 1.24 0.19 -0.28 0.00 -0.00 0.00 0.00 27.41 28.56 2dk9 h HIS -3 CO -1.68 -0.35 -0.78 -3.38 -0.00 0.00 0.00 177.93 171.74 2dk9 s HIS -2 N -3.54 2.80 -0.15 5.26 -0.00 -1.26 -5.00 115.29 113.39 2dk9 s HIS -2 Ca -0.09 -0.78 -0.09 0.00 -0.00 0.00 0.00 55.06 54.10 2dk9 s HIS -2 Cb 0.01 -1.86 -0.06 0.00 -0.00 0.00 0.00 32.58 30.66 2dk9 s HIS -2 CO 0.27 -0.31 -0.21 0.72 -0.00 0.00 0.00 174.74 175.21 2dk9 n HIS -1 N 3.72 0.00 -2.57 0.38 -0.00 -1.26 -5.04 115.22 110.45 2dk9 n HIS -1 Ca -0.18 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.30 2dk9 n HIS -1 Cb 0.52 -0.54 0.04 0.00 -0.00 0.00 0.00 29.99 30.01 2dk9 n HIS -1 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2dk9 s MET 0 N -2.33 2.65 0.00 -0.41 -2.45 -1.26 -4.71 119.30 110.79 2dk9 s MET 0 Ca -0.22 -0.45 0.00 0.00 -1.25 0.00 0.00 55.69 53.77 2dk9 s MET 0 Cb 0.08 -2.39 0.00 0.00 1.25 0.00 0.00 34.83 33.77 2dk9 s MET 0 CO 0.28 -0.73 0.00 0.41 1.05 0.00 0.00 175.02 176.03 2dk9 n GLY 1 N -2.46 1.14 0.12 2.11 0.00 -1.26 -4.95 105.19 99.89 2dk9 n GLY 1 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 2dk9 n GLY 1 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dk9 n SER 2 N 0.00 1.53 0.10 1.61 7.64 -1.26 -3.79 113.62 119.46 2dk9 n SER 2 Ca 0.00 0.12 -0.04 0.00 1.01 0.00 0.00 58.87 59.96 2dk9 n SER 2 Cb 0.00 -0.31 0.07 0.00 -1.01 0.00 0.00 64.21 62.95 2dk9 n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dk9 h ALA 3 N 0.37 0.74 0.02 -0.43 0.00 -1.92 -2.87 119.26 115.17 2dk9 h ALA 3 Ca -0.46 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 53.78 2dk9 h ALA 3 Cb 2.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2dk9 h ALA 3 CO 0.03 0.90 -0.01 0.78 0.00 0.00 0.00 179.25 180.95 2dk9 h GLY 4 N 2.07 -0.03 1.00 0.00 0.00 -1.97 -1.86 103.07 102.28 2dk9 h GLY 4 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2dk9 h GLY 4 CO 0.10 -0.01 0.32 -0.91 0.00 0.00 0.00 176.54 176.04 2dk9 h THR 5 N -0.52 1.13 -0.23 4.70 1.35 -1.66 -1.82 112.91 115.87 2dk9 h THR 5 Ca -0.00 -0.25 -0.04 0.00 -0.55 0.00 0.00 66.41 65.57 2dk9 h THR 5 Cb 0.49 0.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 2dk9 h THR 5 CO 0.01 0.13 -0.04 -0.61 -0.25 0.00 0.00 175.52 174.75 2dk9 h GLN 6 N 0.67 0.34 -0.15 4.72 4.15 -1.56 -2.13 115.11 121.15 2dk9 h GLN 6 Ca 0.18 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.49 2dk9 h GLN 6 Cb -0.07 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 2dk9 h GLN 6 CO -0.04 0.41 -0.08 0.93 -1.93 0.00 0.00 178.83 178.12 2dk9 h GLU 7 N 0.33 0.31 -0.11 1.69 5.08 -0.68 -2.47 114.58 118.74 2dk9 h GLU 7 Ca 0.07 -0.14 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2dk9 h GLU 7 Cb 0.29 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2dk9 h GLU 7 CO 0.01 0.64 -0.21 1.05 -1.00 0.00 0.00 179.01 179.50 2dk9 h GLU 8 N -0.02 0.19 -0.20 2.33 -0.00 -1.18 -2.35 114.58 113.34 2dk9 h GLU 8 Ca 0.03 -0.05 -0.04 0.00 -0.00 0.00 0.00 59.36 59.30 2dk9 h GLU 8 Cb 0.55 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 29.27 2dk9 h GLU 8 CO 0.02 0.40 -0.04 -0.07 -0.00 0.00 0.00 179.01 179.32 2dk9 h LEU 9 N 0.17 0.39 -1.25 3.06 3.38 -1.31 -2.40 115.31 117.35 2dk9 h LEU 9 Ca 0.03 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 2dk9 h LEU 9 Cb 0.48 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2dk9 h LEU 9 CO 0.03 0.65 0.06 0.25 0.09 0.00 0.00 178.44 179.52 2dk9 h LEU 10 N 0.12 0.53 -0.76 1.67 6.46 -1.25 -2.30 115.31 119.78 2dk9 h LEU 10 Ca 0.05 -0.09 -0.09 0.00 -0.12 0.00 0.00 57.88 57.64 2dk9 h LEU 10 Cb 0.47 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 2dk9 h LEU 10 CO 0.02 0.56 -0.03 0.03 -0.62 0.00 0.00 178.44 178.40 2dk9 h ARG 11 N 0.56 0.91 -0.48 1.25 3.08 -1.29 -0.79 114.38 117.62 2dk9 h ARG 11 Ca 0.13 -0.28 -0.12 0.00 0.07 0.00 0.00 59.98 59.77 2dk9 h ARG 11 Cb 0.26 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2dk9 h ARG 11 CO 0.00 0.93 -0.17 2.35 -1.07 0.00 0.00 179.97 182.00 2dk9 h TRP 12 N 0.84 1.08 -0.19 3.04 7.01 -0.96 -1.87 115.95 124.90 2dk9 h TRP 12 Ca 0.15 -0.24 -0.07 0.00 2.11 0.00 0.00 58.89 60.84 2dk9 h TRP 12 Cb 0.54 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 27.34 2dk9 h TRP 12 CO 0.03 1.04 -0.16 0.00 -2.79 0.00 0.00 178.44 176.56 2dk9 h GLN 14 N 0.10 1.15 -0.27 0.00 4.15 -1.11 0.86 115.11 119.98 2dk9 h GLN 14 Ca 0.03 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 59.30 2dk9 h GLN 14 Cb 0.69 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 2dk9 h GLN 14 CO 0.04 0.81 -0.01 1.49 -1.93 0.00 0.00 178.83 179.23 2dk9 h GLU 15 N 1.17 0.49 0.00 1.69 4.81 -1.30 -1.39 114.58 120.05 2dk9 h GLU 15 Ca 0.30 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 2dk9 h GLU 15 Cb -0.04 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2dk9 h GLU 15 CO -0.06 0.65 -0.34 1.96 -0.73 0.00 0.00 179.01 180.50 2dk9 h GLN 16 N 0.27 0.00 -0.16 1.92 1.08 -1.05 -2.30 115.11 114.87 2dk9 h GLN 16 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2dk9 h GLN 16 Cb 0.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.87 2dk9 h GLN 16 CO 0.02 0.34 0.00 2.41 -0.95 0.00 0.00 178.83 180.64 2dk9 n THR 17 N -3.85 0.20 -2.96 -0.54 -1.04 0.27 -4.66 114.28 101.70 2dk9 n THR 17 Ca -0.01 -0.38 -0.40 0.00 -2.04 0.00 0.00 64.05 61.22 2dk9 n THR 17 Cb 0.41 0.50 -0.05 0.00 -1.82 0.00 0.00 70.33 69.37 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 -1.80 3.36 0.00 2.41 0.00 -0.54 -4.25 121.76 120.93 2dk9 s ALA 18 Ca 0.34 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2dk9 s ALA 18 Cb 0.19 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2dk9 s ALA 18 CO 0.28 0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.50 2dk9 n GLY 19 N 2.39 1.24 3.80 0.00 0.00 -1.26 -5.02 105.19 106.34 2dk9 n GLY 19 Ca -0.02 0.00 -0.38 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 -0.17 3.79 -0.74 1.61 1.51 -1.26 -4.95 117.35 117.14 2dk9 s TYR 20 Ca 0.00 1.45 -0.10 0.00 -1.01 0.00 0.00 57.07 57.41 2dk9 s TYR 20 Cb 0.00 -2.64 -0.08 0.00 -0.11 0.00 0.00 41.96 39.13 2dk9 s TYR 20 CO 0.00 0.48 1.91 -0.35 -1.11 0.00 0.00 175.55 176.48 2dk9 n PRO 21 N 1.32 1.62 0.00 -1.71 -0.04 -1.26 -2.72 135.00 132.21 2dk9 n PRO 21 Ca -0.06 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 2dk9 n PRO 21 Cb 0.50 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 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 3.62 0.55 0.00 -1.26 -5.14 105.19 106.98 2dk9 n GLY 22 Ca 0.40 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 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 5.10 -0.51 1.61 0.11 -1.10 -5.00 120.40 120.61 2dk9 s VAL 23 Ca 0.00 0.82 0.06 0.00 -2.93 0.00 0.00 61.98 59.93 2dk9 s VAL 23 Cb 0.00 -3.80 0.21 0.00 -1.53 0.00 0.00 36.38 31.26 2dk9 s VAL 23 CO 0.00 0.12 0.52 1.57 -3.33 0.00 0.00 175.10 173.98 2dk9 n HIS 24 N 5.35 1.04 -3.30 1.54 -0.00 -1.26 -5.05 115.22 113.55 2dk9 n HIS 24 Ca -0.05 -3.76 -0.47 0.00 0.46 0.00 0.00 57.72 53.90 2dk9 n HIS 24 Cb 0.50 -0.28 -0.02 0.00 -0.12 0.00 0.00 29.99 30.07 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 -1.20 5.53 0.00 3.57 1.01 -1.26 -4.68 120.40 123.37 2dk9 s VAL 25 Ca 0.34 -2.36 0.02 0.00 0.00 0.00 0.00 61.98 59.98 2dk9 s VAL 25 Cb 0.09 -4.49 0.03 0.00 0.00 0.00 0.00 36.38 32.02 2dk9 s VAL 25 CO -0.12 -1.06 0.86 -1.20 0.00 0.00 0.00 175.10 173.57 2dk9 n SER 26 N 4.22 0.03 -4.00 3.32 7.64 -1.26 -4.64 113.62 118.93 2dk9 n SER 26 Ca 0.13 -1.69 -0.11 0.00 1.01 0.00 0.00 58.87 58.22 2dk9 n SER 26 Cb 0.47 -0.12 -0.12 0.00 -1.01 0.00 0.00 64.21 63.43 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 -0.76 0.50 -0.63 6.43 1.01 -1.26 -5.05 116.67 116.90 2dk9 s ASP 27 Ca 0.02 -0.46 -0.01 0.00 0.71 0.00 0.00 52.55 52.82 2dk9 s ASP 27 Cb 0.03 0.06 0.45 0.00 1.01 0.00 0.00 42.92 44.46 2dk9 s ASP 27 CO -0.01 -0.21 1.95 0.18 0.21 0.00 0.00 175.17 177.28 2dk9 n LEU 28 N 1.74 7.43 0.00 1.23 4.32 -1.26 -4.31 117.00 126.15 2dk9 n LEU 28 Ca -0.22 -4.35 0.00 0.00 -0.02 0.00 0.00 56.01 51.42 2dk9 n LEU 28 Cb 0.55 -0.92 0.00 0.00 -1.62 0.00 0.00 43.42 41.44 2dk9 n LEU 28 CO 0.21 1.54 0.00 -0.24 -1.22 0.00 0.00 177.39 177.68 2dk9 n SER 29 N -0.89 0.00 0.28 -1.43 2.88 -1.26 -4.87 113.62 108.33 2dk9 n SER 29 Ca 0.61 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 58.33 2dk9 n SER 29 Cb 0.68 0.00 0.94 0.00 -0.75 0.00 0.00 64.21 65.08 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 0.24 -3.46 0.02 -1.91 0.01 113.55 108.45 2dk9 h SER 30 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 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 -0.28 0.28 -1.14 0.00 0.00 176.83 175.69 2dk9 h SER 31 N 0.00 0.07 -0.54 3.07 0.02 -1.90 -2.22 113.55 112.06 2dk9 h SER 31 Ca 0.04 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2dk9 h SER 31 Cb 0.44 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2dk9 h SER 31 CO -0.00 0.35 0.00 0.79 -1.14 0.00 0.00 176.83 176.83 2dk9 n TRP 32 N -4.19 1.08 0.30 3.45 7.02 -0.01 -4.49 117.44 120.61 2dk9 n TRP 32 Ca -0.02 -0.45 -0.17 0.00 -1.02 0.00 0.00 57.50 55.84 2dk9 n TRP 32 Cb 0.34 -0.15 -0.09 0.00 -2.42 0.00 0.00 31.31 28.99 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 3.89 -0.98 0.00 6.99 0.00 -1.42 -2.05 119.26 125.70 2dk9 h ALA 33 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2dk9 h ALA 33 Cb 1.09 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2dk9 h ALA 33 CO 0.14 -1.08 0.00 -0.40 0.00 0.00 0.00 179.25 177.91 2dk9 n ASP 34 N -5.53 0.00 -1.61 0.00 5.68 -1.26 -4.58 116.55 109.25 2dk9 n ASP 34 Ca -0.12 -0.66 -0.13 0.00 -0.50 0.00 0.00 54.79 53.39 2dk9 n ASP 34 Cb 0.42 -0.11 0.01 0.00 -1.14 0.00 0.00 41.12 40.30 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 1.04 -0.09 0.20 6.12 0.00 -0.77 -4.49 105.19 107.20 2dk9 n GLY 35 Ca 0.20 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.36 0.89 -0.28 0.99 3.38 -1.83 -2.44 115.31 115.66 2dk9 h LEU 36 Ca -0.30 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 56.97 2dk9 h LEU 36 Cb 1.22 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2dk9 h LEU 36 CO 0.34 1.46 0.18 0.00 0.09 0.00 0.00 178.44 180.51 2dk9 h ALA 37 N 0.45 0.35 -0.23 1.53 0.00 -1.92 0.34 119.26 119.78 2dk9 h ALA 37 Ca -0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2dk9 h ALA 37 Cb 1.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2dk9 h ALA 37 CO 0.18 -0.18 -0.03 1.25 0.00 0.00 0.00 179.25 180.47 2dk9 h LEU 38 N 0.38 0.42 -0.60 0.00 6.46 -1.96 -2.56 115.31 117.45 2dk9 h LEU 38 Ca 0.10 -0.34 -0.05 0.00 -0.12 0.00 0.00 57.88 57.47 2dk9 h LEU 38 Cb -0.04 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 39.75 2dk9 h LEU 38 CO -0.02 0.66 0.19 0.00 -0.62 0.00 0.00 178.44 178.64 2dk9 h ALA 40 N 1.06 0.47 0.22 0.00 0.00 -0.28 0.17 119.26 120.89 2dk9 h ALA 40 Ca 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2dk9 h ALA 40 Cb 0.29 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2dk9 h ALA 40 CO -0.01 -0.19 -0.12 -0.07 0.00 0.00 0.00 179.25 178.86 2dk9 h LEU 41 N 0.37 -0.30 -0.69 0.00 3.38 -1.32 -0.99 115.31 115.76 2dk9 h LEU 41 Ca 0.17 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.17 2dk9 h LEU 41 Cb 0.10 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2dk9 h LEU 41 CO -0.13 -0.20 0.44 0.58 0.09 0.00 0.00 178.44 179.22 2dk9 h VAL 42 N -0.32 1.14 -0.82 1.22 2.07 -1.23 -2.01 116.25 116.29 2dk9 h VAL 42 Ca -0.02 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.21 2dk9 h VAL 42 Cb 0.26 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 2dk9 h VAL 42 CO 0.03 0.16 0.54 0.22 0.02 0.00 0.00 177.57 178.54 2dk9 h TYR 43 N 0.89 1.00 -0.66 1.57 3.20 -0.43 0.70 116.97 123.25 2dk9 h TYR 43 Ca 0.26 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 2dk9 h TYR 43 Cb -0.05 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 37.86 2dk9 h TYR 43 CO -0.03 0.61 0.28 -0.09 -1.64 0.00 0.00 178.16 177.28 2dk9 h ARG 44 N 1.06 0.97 0.11 1.82 2.43 -0.46 0.93 114.38 121.25 2dk9 h ARG 44 Ca 0.31 -0.17 -0.27 0.00 -0.81 0.00 0.00 59.98 59.04 2dk9 h ARG 44 Cb -0.04 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2dk9 h ARG 44 CO -0.08 0.80 -1.19 -0.07 -1.51 0.00 0.00 179.97 177.92 2dk9 h LEU 45 N 0.92 0.56 -5.95 3.80 -0.00 -0.97 -3.41 115.31 110.26 2dk9 h LEU 45 Ca 0.22 -0.55 -0.47 0.00 -0.00 0.00 0.00 57.88 57.09 2dk9 h LEU 45 Cb 0.18 -0.18 -0.32 0.00 -0.00 0.00 0.00 40.66 40.34 2dk9 h LEU 45 CO -0.02 1.39 -0.85 0.00 -0.00 0.00 0.00 178.44 178.96 2dk9 n GLN 46 N -3.65 0.33 -0.09 1.13 1.13 0.24 -4.99 117.38 111.48 2dk9 n GLN 46 Ca -0.10 -2.85 -0.14 0.00 -1.94 0.00 0.00 57.00 51.97 2dk9 n GLN 46 Cb 0.98 -1.58 -0.04 0.00 0.11 0.00 0.00 30.24 29.71 2dk9 n GLN 46 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2dk9 h PRO 47 N 5.29 0.89 -0.09 -1.09 0.13 0.74 -3.13 132.00 134.74 2dk9 h PRO 47 Ca 0.19 -0.53 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2dk9 h PRO 47 Cb 0.96 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 2dk9 h PRO 47 CO 0.29 1.17 0.06 0.78 -0.23 0.00 0.00 178.00 180.07 2dk9 h GLY 48 N 0.68 0.12 -3.35 1.56 0.00 -1.94 -1.10 103.07 99.03 2dk9 h GLY 48 Ca 0.03 -0.04 -0.20 0.00 0.00 0.00 0.00 47.33 47.11 2dk9 h GLY 48 CO 0.11 0.04 0.26 1.04 0.00 0.00 0.00 176.54 177.99 2dk9 n LEU 49 N -4.53 5.45 -3.99 3.11 7.99 -1.18 -4.93 117.00 118.92 2dk9 n LEU 49 Ca -0.02 -2.83 -0.10 0.00 -0.01 0.00 0.00 56.01 53.05 2dk9 n LEU 49 Cb 0.09 -0.71 -0.04 0.00 -0.11 0.00 0.00 43.42 42.64 2dk9 n LEU 49 CO 0.34 0.75 0.23 -0.76 -1.51 0.00 0.00 177.39 176.44 2dk9 s LEU 50 N -2.46 0.41 -0.45 2.23 1.02 -0.42 -4.96 118.68 114.05 2dk9 s LEU 50 Ca 0.45 -1.07 0.07 0.00 0.02 0.00 0.00 54.13 53.60 2dk9 s LEU 50 Cb 0.36 1.88 0.33 0.00 0.02 0.00 0.00 46.19 48.78 2dk9 s LEU 50 CO 0.11 -1.26 1.12 -0.62 0.02 0.00 0.00 176.35 175.72 2dk9 n GLU 51 N -0.45 1.03 -0.11 1.70 1.02 -1.26 -4.91 120.64 117.66 2dk9 n GLU 51 Ca -0.02 -2.01 0.22 0.00 -0.02 0.00 0.00 57.16 55.34 2dk9 n GLU 51 Cb 0.61 -0.99 0.65 0.00 -0.02 0.00 0.00 31.44 31.69 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 2.92 0.11 -0.50 3.49 0.13 -1.93 -1.81 132.00 134.41 2dk9 h PRO 52 Ca -0.10 -0.01 0.08 0.00 -0.87 0.00 0.00 66.00 65.10 2dk9 h PRO 52 Cb 1.11 -0.03 -0.07 0.00 0.13 0.00 0.00 31.00 32.15 2dk9 h PRO 52 CO 0.14 0.07 0.12 1.03 -0.23 0.00 0.00 178.00 179.13 2dk9 h SER 53 N 0.12 0.04 0.01 1.44 0.87 -1.99 0.89 113.55 114.94 2dk9 h SER 53 Ca 0.35 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 61.00 2dk9 h SER 53 Cb 1.23 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2dk9 h SER 53 CO -0.04 0.05 -0.00 -0.33 -0.53 0.00 0.00 176.83 175.97 2dk9 h GLU 54 N 0.26 -0.01 0.00 2.24 5.08 -1.77 -3.16 114.58 117.22 2dk9 h GLU 54 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2dk9 h GLU 54 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2dk9 h GLU 54 CO -0.31 0.57 0.00 1.28 -1.00 0.00 0.00 179.01 179.55 2dk9 n LEU 55 N -4.82 0.00 -0.36 1.33 4.77 -1.09 -1.88 117.00 114.96 2dk9 n LEU 55 Ca -0.09 0.49 -0.02 0.00 -0.03 0.00 0.00 56.01 56.36 2dk9 n LEU 55 Cb 0.29 -0.49 0.11 0.00 -2.33 0.00 0.00 43.42 41.01 2dk9 n LEU 55 CO 0.33 -0.23 1.26 -0.61 -1.33 0.00 0.00 177.39 176.81 2dk9 h GLN 56 N 0.00 1.29 0.00 3.23 4.15 0.86 -3.29 115.11 121.35 2dk9 h GLN 56 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.32 2dk9 h GLN 56 Cb 0.26 -0.28 0.00 0.00 0.21 0.00 0.00 27.48 27.67 2dk9 h GLN 56 CO 0.00 0.88 -0.41 0.41 -1.93 0.00 0.00 178.83 177.78 2dk9 n GLY 57 N -1.31 0.59 0.27 2.39 0.00 -1.19 -4.65 105.19 101.28 2dk9 n GLY 57 Ca 0.11 0.00 0.10 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 0.00 0.00 0.99 4.07 -1.45 -3.46 115.31 115.46 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 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2dk9 h LEU 58 CO 0.00 0.01 0.00 0.61 -1.08 0.00 0.00 178.44 177.98 2dk9 n GLY 59 N -1.44 2.99 0.11 0.83 0.00 -1.24 -4.96 105.19 101.48 2dk9 n GLY 59 Ca -0.03 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.15 -0.73 4.61 0.00 -1.81 -2.52 119.26 118.66 2dk9 h ALA 60 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2dk9 h ALA 60 Cb 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2dk9 h ALA 60 CO 0.00 -0.17 0.44 -0.07 0.00 0.00 0.00 179.25 179.44 2dk9 h LEU 61 N -0.97 0.88 -0.35 0.00 -0.00 -1.88 -1.32 115.31 111.67 2dk9 h LEU 61 Ca -0.02 -0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 57.78 2dk9 h LEU 61 Cb 0.43 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 2dk9 h LEU 61 CO 0.03 0.68 0.09 -0.08 -0.00 0.00 0.00 178.44 179.16 2dk9 h GLU 62 N 1.01 0.55 -0.49 1.13 4.81 -1.94 0.11 114.58 119.75 2dk9 h GLU 62 Ca 0.26 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2dk9 h GLU 62 Cb -0.03 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2dk9 h GLU 62 CO -0.05 0.59 0.17 0.00 -0.73 0.00 0.00 179.01 178.99 2dk9 h ALA 63 N 0.93 0.64 -0.26 2.92 0.00 -1.05 0.20 119.26 122.65 2dk9 h ALA 63 Ca 0.11 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2dk9 h ALA 63 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2dk9 h ALA 63 CO -0.00 0.28 -0.06 1.15 0.00 0.00 0.00 179.25 180.62 2dk9 h THR 64 N 0.66 1.28 -0.46 0.00 2.02 -1.15 -0.50 112.91 114.76 2dk9 h THR 64 Ca 0.16 -1.08 -0.04 0.00 0.77 0.00 0.00 66.41 66.22 2dk9 h THR 64 Cb 0.24 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 2dk9 h THR 64 CO -0.01 0.34 0.13 0.00 0.37 0.00 0.00 175.52 176.34 2dk9 h ALA 65 N 0.77 0.61 0.00 6.16 0.00 -0.70 0.13 119.26 126.22 2dk9 h ALA 65 Ca 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2dk9 h ALA 65 Cb 0.53 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2dk9 h ALA 65 CO 0.03 0.28 -0.00 2.35 0.00 0.00 0.00 179.25 181.90 2dk9 h TRP 66 N 0.61 -0.00 -0.84 0.00 7.01 -0.95 -1.63 115.95 120.15 2dk9 h TRP 66 Ca 0.15 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 2dk9 h TRP 66 Cb 0.30 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.32 2dk9 h TRP 66 CO 0.02 0.35 0.40 0.00 -2.79 0.00 0.00 178.44 176.41 2dk9 h ALA 67 N 0.65 1.08 -0.33 2.65 0.00 -1.07 -0.33 119.26 121.90 2dk9 h ALA 67 Ca -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2dk9 h ALA 67 Cb 0.35 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2dk9 h ALA 67 CO 0.00 0.65 0.10 1.25 0.00 0.00 0.00 179.25 181.25 2dk9 h LEU 68 N 1.19 0.49 -0.09 0.00 5.85 -0.72 0.56 115.31 122.59 2dk9 h LEU 68 Ca 0.29 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2dk9 h LEU 68 Cb 0.12 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 2dk9 h LEU 68 CO -0.04 0.57 -0.01 0.50 -0.34 0.00 0.00 178.44 179.12 2dk9 h LYS 69 N 0.39 0.17 -0.41 1.25 3.64 -1.10 -2.55 116.57 117.95 2dk9 h LYS 69 Ca 0.11 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 2dk9 h LYS 69 Cb 0.26 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2dk9 h LYS 69 CO -0.00 0.46 -0.27 0.28 -2.27 0.00 0.00 179.45 177.65 2dk9 h VAL 70 N -0.14 1.27 -0.50 2.00 2.07 -1.05 -1.53 116.25 118.37 2dk9 h VAL 70 Ca 0.02 -1.42 0.06 0.00 0.82 0.00 0.00 66.70 66.18 2dk9 h VAL 70 Cb 0.39 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 2dk9 h VAL 70 CO 0.01 0.48 0.22 0.00 0.02 0.00 0.00 177.57 178.30 2dk9 h ALA 71 N 0.94 0.63 -0.26 1.67 0.00 0.14 0.90 119.26 123.28 2dk9 h ALA 71 Ca 0.09 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 2dk9 h ALA 71 Cb 0.82 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2dk9 h ALA 71 CO 0.07 -0.15 -0.44 1.05 0.00 0.00 0.00 179.25 179.77 2dk9 h GLU 72 N 0.43 0.67 -0.34 0.00 4.11 -1.38 0.39 114.58 118.46 2dk9 h GLU 72 Ca 0.23 -0.37 -0.14 0.00 0.07 0.00 0.00 59.36 59.15 2dk9 h GLU 72 Cb 0.19 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2dk9 h GLU 72 CO -0.20 0.98 -0.34 -0.91 0.07 0.00 0.00 179.01 178.61 2dk9 h ASN 73 N 0.54 0.88 0.19 3.06 4.21 -0.42 0.87 115.58 124.91 2dk9 h ASN 73 Ca 0.04 -0.47 -0.27 0.00 1.21 0.00 0.00 56.30 56.80 2dk9 h ASN 73 Cb 0.98 -0.25 0.02 0.00 -1.12 0.00 0.00 38.32 37.96 2dk9 h ASN 73 CO 0.09 1.17 -1.24 -0.33 -1.29 0.00 0.00 177.43 175.83 2dk9 h GLU 74 N 0.61 0.40 0.03 0.81 3.07 0.82 -3.40 114.58 116.93 2dk9 h GLU 74 Ca 0.05 -0.68 -0.38 0.00 -0.50 0.00 0.00 59.36 57.86 2dk9 h GLU 74 Cb 0.93 0.25 -0.05 0.00 -0.84 0.00 0.00 28.75 29.03 2dk9 h GLU 74 CO 0.08 1.32 -2.31 1.28 -1.40 0.00 0.00 179.01 177.99 2dk9 n LEU 75 N -3.89 2.54 0.00 1.33 4.77 0.14 -5.02 117.00 116.86 2dk9 n LEU 75 Ca -0.18 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2dk9 n LEU 75 Cb 0.97 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2dk9 n LEU 75 CO 0.53 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 2dk9 n GLY 76 N 2.12 1.25 3.67 -0.72 0.00 0.30 -5.00 105.19 106.82 2dk9 n GLY 76 Ca -0.40 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 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 5.14 0.03 -0.61 -1.09 -1.24 -4.99 121.20 116.44 2dk9 s ILE 77 Ca 0.00 0.90 -0.30 0.00 -2.23 0.00 0.00 60.65 59.02 2dk9 s ILE 77 Cb 0.00 -3.81 -0.05 0.00 -1.58 0.00 0.00 42.46 37.02 2dk9 s ILE 77 CO 0.00 0.22 1.22 -0.89 -1.23 0.00 0.00 174.94 174.26 2dk9 s THR 78 N 1.39 4.04 0.42 2.92 2.01 -1.26 -4.27 115.64 120.89 2dk9 s THR 78 Ca 0.23 1.45 -0.24 0.00 0.31 0.00 0.00 61.69 63.44 2dk9 s THR 78 Cb -0.15 -3.93 -0.10 0.00 0.01 0.00 0.00 72.50 68.33 2dk9 s THR 78 CO 0.09 0.08 1.04 -2.65 -0.69 0.00 0.00 174.62 172.49 2dk9 n PRO 79 N 4.29 1.40 -0.01 4.92 -0.02 -1.26 -4.93 135.00 139.39 2dk9 n PRO 79 Ca 0.10 0.50 0.02 0.00 -2.02 0.00 0.00 63.50 62.10 2dk9 n PRO 79 Cb 0.46 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.80 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 -0.48 0.12 -3.87 -1.45 0.31 -1.26 -5.05 118.33 106.65 2dk9 n VAL 80 Ca 0.09 -0.20 -0.11 0.00 -0.01 0.00 0.00 64.34 64.12 2dk9 n VAL 80 Cb 0.39 0.05 -0.09 0.00 -0.91 0.00 0.00 33.84 33.28 2dk9 n VAL 80 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2dk9 s VAL 81 N -2.43 0.10 0.45 2.52 -7.23 -1.26 -5.05 120.40 107.50 2dk9 s VAL 81 Ca -0.03 -0.86 -0.22 0.00 -1.81 0.00 0.00 61.98 59.06 2dk9 s VAL 81 Cb 0.04 -0.74 -0.09 0.00 0.56 0.00 0.00 36.38 36.15 2dk9 s VAL 81 CO 0.30 -0.47 1.02 -0.94 -0.31 0.00 0.00 175.10 174.70 2dk9 s SER 82 N -1.84 6.59 0.20 4.85 1.04 -1.26 -4.94 113.70 118.34 2dk9 s SER 82 Ca -0.09 1.92 -0.10 0.00 0.48 0.00 0.00 55.95 58.16 2dk9 s SER 82 Cb -0.03 -2.56 0.19 0.00 0.10 0.00 0.00 66.02 63.71 2dk9 s SER 82 CO -0.02 -0.61 1.84 0.00 0.98 0.00 0.00 173.24 175.43 2dk9 h ALA 83 N 1.93 0.89 -1.00 5.32 0.00 -1.97 -1.99 119.26 122.44 2dk9 h ALA 83 Ca -0.49 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.52 2dk9 h ALA 83 Cb 1.21 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 2dk9 h ALA 83 CO 0.60 0.18 0.63 1.96 0.00 0.00 0.00 179.25 182.62 2dk9 h GLN 84 N 0.82 0.98 -0.24 0.00 4.20 -1.96 0.37 115.11 119.27 2dk9 h GLN 84 Ca 0.28 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.86 2dk9 h GLN 84 Cb 0.04 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 2dk9 h GLN 84 CO -0.12 0.65 -0.12 0.00 -0.67 0.00 0.00 178.83 178.57 2dk9 h ALA 85 N 1.53 0.34 -0.26 3.87 0.00 -1.77 -2.28 119.26 120.70 2dk9 h ALA 85 Ca 0.49 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2dk9 h ALA 85 Cb 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2dk9 h ALA 85 CO -0.25 0.21 0.14 0.28 0.00 0.00 0.00 179.25 179.63 2dk9 h VAL 86 N 0.24 1.12 -0.39 0.00 2.07 -0.71 0.20 116.25 118.78 2dk9 h VAL 86 Ca 0.05 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2dk9 h VAL 86 Cb 0.63 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2dk9 h VAL 86 CO 0.04 0.12 0.19 0.58 0.02 0.00 0.00 177.57 178.51 2dk9 h VAL 87 N 0.31 1.14 0.00 2.57 2.07 -0.97 -1.58 116.25 119.79 2dk9 h VAL 87 Ca 0.09 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2dk9 h VAL 87 Cb 0.06 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2dk9 h VAL 87 CO -0.01 0.15 -0.41 0.00 0.02 0.00 0.00 177.57 177.32 2dk9 n ALA 88 N -2.47 2.83 -3.23 1.67 0.00 -0.86 -4.49 120.51 113.96 2dk9 n ALA 88 Ca 0.03 -0.20 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 2dk9 n ALA 88 Cb 0.12 -1.26 0.03 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.52 2.09 0.00 0.00 0.67 -4.88 105.19 103.93 2dk9 n GLY 89 Ca 0.05 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.57 5.56 -2.73 1.61 7.64 -1.09 -4.59 113.62 117.45 2dk9 n SER 90 Ca -0.07 -3.74 -0.08 0.00 1.01 0.00 0.00 58.87 55.99 2dk9 n SER 90 Cb 0.59 -0.80 0.08 0.00 -1.01 0.00 0.00 64.21 63.07 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 -2.41 -0.30 6.43 8.00 -1.26 -5.01 116.55 121.01 2dk9 n ASP 91 Ca 0.55 -3.37 0.06 0.00 0.71 0.00 0.00 54.79 52.75 2dk9 n ASP 91 Cb 1.01 1.80 0.22 0.00 -0.02 0.00 0.00 41.12 44.13 2dk9 n ASP 91 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2dk9 h PRO 92 N 3.28 0.67 -0.82 -0.24 0.11 -1.90 -1.10 132.00 132.01 2dk9 h PRO 92 Ca -0.14 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.97 2dk9 h PRO 92 Cb 1.09 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 32.00 2dk9 h PRO 92 CO 0.17 0.44 0.51 1.25 -0.21 0.00 0.00 178.00 180.17 2dk9 h LEU 93 N 0.69 0.84 -1.01 2.35 7.12 -1.98 -1.94 115.31 121.37 2dk9 h LEU 93 Ca 0.46 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 58.41 2dk9 h LEU 93 Cb 0.59 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.52 2dk9 h LEU 93 CO -0.33 0.56 0.09 1.23 -0.13 0.00 0.00 178.44 179.86 2dk9 h GLY 94 N 0.98 0.87 1.00 3.75 0.00 -1.63 -2.49 103.07 105.55 2dk9 h GLY 94 Ca 0.34 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2dk9 h GLY 94 CO -0.13 0.49 0.37 1.41 0.00 0.00 0.00 176.54 178.68 2dk9 h LEU 95 N 0.77 0.84 -0.60 3.11 -0.00 -0.91 -0.71 115.31 117.81 2dk9 h LEU 95 Ca 0.17 -0.09 -0.05 0.00 -0.00 0.00 0.00 57.88 57.91 2dk9 h LEU 95 Cb 0.34 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.76 2dk9 h LEU 95 CO 0.00 0.68 0.18 0.40 -0.00 0.00 0.00 178.44 179.71 2dk9 h ILE 96 N 0.92 1.24 -0.48 1.22 1.08 -1.19 -2.04 117.51 118.27 2dk9 h ILE 96 Ca 0.24 -0.84 -0.08 0.00 -0.39 0.00 0.00 64.86 63.78 2dk9 h ILE 96 Cb 0.03 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 2dk9 h ILE 96 CO -0.04 0.32 -0.04 0.00 -0.69 0.00 0.00 178.15 177.70 2dk9 h ALA 97 N 1.05 1.03 -0.14 1.87 0.00 -1.13 -2.50 119.26 119.44 2dk9 h ALA 97 Ca 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2dk9 h ALA 97 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2dk9 h ALA 97 CO -0.00 0.59 0.05 -0.92 0.00 0.00 0.00 179.25 178.97 2dk9 h TYR 98 N 0.75 0.23 -0.93 0.00 5.03 -0.88 -2.61 116.97 118.56 2dk9 h TYR 98 Ca 0.14 -0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.47 2dk9 h TYR 98 Cb 0.51 -0.07 -0.06 0.00 1.55 0.00 0.00 36.73 38.67 2dk9 h TYR 98 CO 0.03 0.33 0.61 -0.07 -1.32 0.00 0.00 178.16 177.74 2dk9 h LEU 99 N 0.05 0.99 -0.93 2.82 3.38 -1.27 -1.48 115.31 118.87 2dk9 h LEU 99 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2dk9 h LEU 99 Cb 0.21 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2dk9 h LEU 99 CO -0.00 0.67 0.56 0.28 0.09 0.00 0.00 178.44 180.03 2dk9 h SER 100 N 1.14 1.11 -0.22 -0.43 0.02 -1.24 0.29 113.55 114.22 2dk9 h SER 100 Ca 0.38 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.20 2dk9 h SER 100 Cb 0.06 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 2dk9 h SER 100 CO -0.12 0.86 -0.10 -0.74 -1.14 0.00 0.00 176.83 175.58 2dk9 h HIS 101 N 1.28 0.53 -0.47 3.45 6.17 -0.97 -2.57 115.15 122.57 2dk9 h HIS 101 Ca 0.33 -0.13 -0.10 0.00 0.71 0.00 0.00 60.37 61.18 2dk9 h HIS 101 Cb -0.05 -0.12 -0.02 0.00 2.52 0.00 0.00 27.41 29.74 2dk9 h HIS 101 CO 0.00 0.73 -0.12 0.74 0.71 0.00 0.00 177.93 179.99 2dk9 h PHE 102 N 0.17 0.96 -0.86 5.26 -1.00 -1.04 -2.95 116.94 117.48 2dk9 h PHE 102 Ca 0.05 -0.19 0.01 0.00 2.81 0.00 0.00 57.97 60.65 2dk9 h PHE 102 Cb 0.59 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.87 2dk9 h PHE 102 CO 0.06 0.93 0.57 1.25 -1.61 0.00 0.00 178.31 179.51 2dk9 h HIS 103 N 0.77 1.08 -0.65 -0.55 2.76 -0.37 0.18 115.15 118.37 2dk9 h HIS 103 Ca 0.12 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.35 2dk9 h HIS 103 Cb 0.64 -0.36 -0.04 0.00 1.55 0.00 0.00 27.41 29.19 2dk9 h HIS 103 CO 0.04 0.68 0.40 0.77 -1.30 0.00 0.00 177.93 178.51 2dk9 h SER 104 N 1.16 0.65 -0.14 3.26 0.02 -1.29 0.24 113.55 117.45 2dk9 h SER 104 Ca 0.31 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.05 2dk9 h SER 104 Cb -0.13 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.28 2dk9 h SER 104 CO -0.07 0.45 -0.77 0.00 -1.14 0.00 0.00 176.83 175.30 2dk9 h ALA 105 N 1.28 0.28 -0.08 3.77 0.00 -1.37 -3.10 119.26 120.04 2dk9 h ALA 105 Ca 0.26 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2dk9 h ALA 105 Cb 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2dk9 h ALA 105 CO -0.11 0.65 -0.24 0.74 0.00 0.00 0.00 179.25 180.28 2dk9 h PHE 106 N 0.49 0.15 -0.41 0.00 -1.00 -0.33 -2.62 116.94 113.22 2dk9 h PHE 106 Ca -0.06 -0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.59 2dk9 h PHE 106 Cb 1.40 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.90 2dk9 h PHE 106 CO 0.09 0.38 -0.18 -0.22 -1.61 0.00 0.00 178.31 176.78 2dk9 h LYS 107 N 0.13 0.77 -1.01 1.51 3.11 -0.50 -2.81 116.57 117.77 2dk9 h LYS 107 Ca 0.02 -0.29 -0.52 0.00 -2.81 0.00 0.00 60.65 57.06 2dk9 h LYS 107 Cb 0.51 -0.05 -0.29 0.00 -1.00 0.00 0.00 32.23 31.40 2dk9 h LYS 107 CO 0.04 0.90 0.66 0.43 -2.81 0.00 0.00 179.45 178.66 2dk9 n SER 108 N -4.13 4.36 0.00 4.20 7.64 -1.01 -5.11 113.62 119.57 2dk9 n SER 108 Ca 0.01 -3.56 0.00 0.00 1.01 0.00 0.00 58.87 56.33 2dk9 n SER 108 Cb 0.41 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 2dk9 n SER 108 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26