#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 1.48 3.03 0.00 -1.26 -5.11 105.19 101.55 2dk9 n GLY -7 Ca 0.00 -1.88 0.10 0.00 0.00 0.00 0.00 46.02 44.24 2dk9 n GLY -7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dk9 n HIS -6 N 0.00 -4.02 0.08 1.61 -0.00 -1.26 -5.02 115.22 106.60 2dk9 n HIS -6 Ca 0.00 2.20 0.00 0.00 -0.00 0.00 0.00 57.72 59.92 2dk9 n HIS -6 Cb 0.00 -3.54 0.00 0.00 -0.00 0.00 0.00 29.99 26.45 2dk9 n HIS -6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2dk9 n HIS -5 N -3.59 -1.25 -3.98 4.41 8.25 -1.26 -5.04 115.22 112.76 2dk9 n HIS -5 Ca -0.06 0.22 -0.33 0.00 -0.26 0.00 0.00 57.72 57.30 2dk9 n HIS -5 Cb 0.60 0.44 -0.14 0.00 1.12 0.00 0.00 29.99 32.01 2dk9 n HIS -5 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2dk9 s HIS -4 N -2.00 3.46 -0.25 4.41 3.76 -1.26 -5.07 115.29 118.33 2dk9 s HIS -4 Ca 0.00 -2.43 -0.25 0.00 -0.15 0.00 0.00 55.06 52.22 2dk9 s HIS -4 Cb 0.00 -2.44 0.07 0.00 1.11 0.00 0.00 32.58 31.32 2dk9 s HIS -4 CO 0.00 -0.90 0.75 -1.01 -0.85 0.00 0.00 174.74 172.73 2dk9 s HIS -3 N 1.08 -0.75 0.32 1.40 4.02 -1.26 -5.18 115.29 114.93 2dk9 s HIS -3 Ca 0.00 1.80 0.08 0.00 1.02 0.00 0.00 55.06 57.96 2dk9 s HIS -3 Cb -0.20 0.29 -0.04 0.00 -1.02 0.00 0.00 32.58 31.61 2dk9 s HIS -3 CO -0.05 -0.38 0.16 -1.01 1.02 0.00 0.00 174.74 174.47 2dk9 s HIS -2 N 0.25 2.78 -0.24 1.40 3.76 -1.26 -5.08 115.29 116.89 2dk9 s HIS -2 Ca -0.01 -0.32 -0.29 0.00 -0.15 0.00 0.00 55.06 54.29 2dk9 s HIS -2 Cb -0.05 -1.59 0.00 0.00 1.11 0.00 0.00 32.58 32.06 2dk9 s HIS -2 CO 0.01 0.36 1.15 -1.01 -0.85 0.00 0.00 174.74 174.40 2dk9 s HIS -1 N -2.37 3.06 0.00 1.40 0.09 -1.26 -4.40 115.29 111.81 2dk9 s HIS -1 Ca 0.37 1.19 0.00 0.00 -0.00 0.00 0.00 55.06 56.62 2dk9 s HIS -1 Cb -0.04 -3.52 0.00 0.00 -0.00 0.00 0.00 32.58 29.01 2dk9 s HIS -1 CO 0.23 -1.07 0.00 -0.12 -0.00 0.00 0.00 174.74 173.78 2dk9 n MET 0 N 6.67 0.00 -0.46 1.40 0.00 -1.26 -4.97 117.12 118.51 2dk9 n MET 0 Ca 0.13 0.00 0.01 0.00 -0.00 0.00 0.00 57.70 57.83 2dk9 n MET 0 Cb 0.46 0.00 0.17 0.00 0.00 0.00 0.00 33.22 33.85 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 0.00 2.40 0.13 -5.12 0.00 -1.26 -3.33 105.19 98.01 2dk9 n GLY 1 Ca 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 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 0.19 2.41 -0.02 1.61 7.64 -1.26 -4.27 113.62 119.92 2dk9 n SER 2 Ca 0.16 -0.06 -0.08 0.00 1.01 0.00 0.00 58.87 59.90 2dk9 n SER 2 Cb 0.77 -0.33 -0.14 0.00 -1.01 0.00 0.00 64.21 63.51 2dk9 n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dk9 n ALA 3 N -3.15 1.51 0.23 -0.43 0.00 -1.25 -4.00 120.51 113.41 2dk9 n ALA 3 Ca -0.34 -0.75 0.11 0.00 0.00 0.00 0.00 53.44 52.45 2dk9 n ALA 3 Cb 0.85 -0.87 0.46 0.00 0.00 0.00 0.00 19.45 19.89 2dk9 n ALA 3 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2dk9 h GLY 4 N 3.51 0.00 0.85 0.00 0.00 -1.81 -3.13 103.07 102.49 2dk9 h GLY 4 Ca -0.28 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.09 2dk9 h GLY 4 CO 0.08 0.00 0.58 -0.91 0.00 0.00 0.00 176.54 176.29 2dk9 h THR 5 N 0.00 1.13 -0.23 4.70 1.35 -1.74 -1.47 112.91 116.65 2dk9 h THR 5 Ca -0.00 -0.38 -0.04 0.00 -0.55 0.00 0.00 66.41 65.43 2dk9 h THR 5 Cb 0.75 -0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.08 2dk9 h THR 5 CO 0.03 0.20 -0.04 -0.61 -0.25 0.00 0.00 175.52 174.85 2dk9 h GLN 6 N 1.12 0.35 -0.27 4.72 5.75 -1.76 -2.37 115.11 122.66 2dk9 h GLN 6 Ca 0.37 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.78 2dk9 h GLN 6 Cb 0.03 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 2dk9 h GLN 6 CO -0.13 0.42 0.12 0.93 -2.65 0.00 0.00 178.83 177.52 2dk9 h GLU 7 N 0.34 0.39 -0.10 1.69 5.08 -1.38 -1.22 114.58 119.38 2dk9 h GLU 7 Ca 0.07 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2dk9 h GLU 7 Cb 0.30 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2dk9 h GLU 7 CO 0.01 0.40 -0.32 1.05 -1.00 0.00 0.00 179.01 179.15 2dk9 h GLU 8 N 0.29 0.19 -0.23 2.33 4.11 -1.30 -2.46 114.58 117.52 2dk9 h GLU 8 Ca 0.09 -0.07 -0.05 0.00 0.07 0.00 0.00 59.36 59.40 2dk9 h GLU 8 Cb 0.14 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2dk9 h GLU 8 CO -0.01 0.49 -0.07 1.25 0.07 0.00 0.00 179.01 180.75 2dk9 h LEU 9 N 0.16 0.45 -1.24 3.06 7.12 -1.10 -2.44 115.31 121.32 2dk9 h LEU 9 Ca 0.02 -0.38 -0.04 0.00 0.13 0.00 0.00 57.88 57.61 2dk9 h LEU 9 Cb 0.65 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 40.64 2dk9 h LEU 9 CO 0.05 0.72 0.07 -0.07 -0.13 0.00 0.00 178.44 179.09 2dk9 h LEU 10 N 0.17 0.55 -0.75 2.25 3.38 -1.10 -2.31 115.31 117.51 2dk9 h LEU 10 Ca 0.06 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2dk9 h LEU 10 Cb 0.53 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2dk9 h LEU 10 CO 0.02 0.57 -0.02 0.03 0.09 0.00 0.00 178.44 179.13 2dk9 h ARG 11 N 0.58 0.94 -0.12 1.13 2.47 -1.31 -0.96 114.38 117.10 2dk9 h ARG 11 Ca 0.13 -0.29 -0.02 0.00 -1.26 0.00 0.00 59.98 58.55 2dk9 h ARG 11 Cb 0.26 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.48 2dk9 h ARG 11 CO 0.00 0.94 -0.00 2.35 0.56 0.00 0.00 179.97 183.82 2dk9 h TRP 12 N 0.86 0.22 -0.36 3.04 7.01 -0.97 0.17 115.95 125.93 2dk9 h TRP 12 Ca 0.15 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 2dk9 h TRP 12 Cb 0.54 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.52 2dk9 h TRP 12 CO 0.03 0.45 0.14 0.00 -2.79 0.00 0.00 178.44 176.27 2dk9 h GLN 14 N 0.43 0.49 -0.31 0.00 4.15 -1.17 -1.87 115.11 116.83 2dk9 h GLN 14 Ca 0.12 -0.20 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 2dk9 h GLN 14 Cb 0.20 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 2dk9 h GLN 14 CO -0.01 0.73 0.06 0.93 -1.93 0.00 0.00 178.83 178.62 2dk9 h GLU 15 N 0.43 0.51 -0.45 1.69 5.08 -0.40 0.14 114.58 121.58 2dk9 h GLU 15 Ca 0.06 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 2dk9 h GLU 15 Cb 0.73 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2dk9 h GLU 15 CO 0.06 0.59 -0.05 1.96 -1.00 0.00 0.00 179.01 180.57 2dk9 h GLN 16 N 0.34 0.77 -0.24 2.33 1.08 -1.15 -2.19 115.11 116.04 2dk9 h GLN 16 Ca 0.10 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 2dk9 h GLN 16 Cb 0.32 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 2dk9 h GLN 16 CO 0.00 0.81 0.00 -2.37 -0.95 0.00 0.00 178.83 176.33 2dk9 n THR 17 N -4.19 0.32 -2.80 -0.54 5.66 -0.71 -4.77 114.28 107.25 2dk9 n THR 17 Ca 0.02 -0.37 -0.42 0.00 -3.05 0.00 0.00 64.05 60.23 2dk9 n THR 17 Cb 0.33 0.24 -0.03 0.00 -1.55 0.00 0.00 70.33 69.32 2dk9 n THR 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dk9 s ALA 18 N -1.68 3.43 0.00 1.79 0.00 0.02 -3.92 121.76 121.40 2dk9 s ALA 18 Ca 0.26 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2dk9 s ALA 18 Cb 0.14 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2dk9 s ALA 18 CO 0.19 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.80 2dk9 n GLY 19 N 3.22 1.20 3.73 0.00 0.00 -1.26 -5.02 105.19 107.06 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 -0.36 3.59 -0.59 1.61 1.51 -1.25 -4.97 117.35 116.88 2dk9 s TYR 20 Ca 0.00 1.56 -0.27 0.00 -1.01 0.00 0.00 57.07 57.34 2dk9 s TYR 20 Cb 0.00 -3.26 0.00 0.00 -0.11 0.00 0.00 41.96 38.59 2dk9 s TYR 20 CO 0.00 -0.60 1.55 -1.25 -1.11 0.00 0.00 175.55 174.14 2dk9 s PRO 21 N 0.31 3.09 0.00 -1.71 0.04 -1.26 -2.95 135.00 132.52 2dk9 s PRO 21 Ca 0.52 0.46 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2dk9 s PRO 21 Cb -0.27 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.05 2dk9 s PRO 21 CO 0.31 -2.20 0.00 0.41 0.04 0.00 0.00 177.00 175.57 2dk9 n GLY 22 N 5.42 1.70 2.90 0.56 0.00 -1.26 -5.11 105.19 109.40 2dk9 n GLY 22 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 0.99 -0.47 1.61 1.01 -1.15 -5.06 120.40 115.33 2dk9 s VAL 23 Ca 0.00 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.76 2dk9 s VAL 23 Cb 0.00 -1.01 0.19 0.00 0.00 0.00 0.00 36.38 35.56 2dk9 s VAL 23 CO 0.00 0.36 0.43 1.41 0.00 0.00 0.00 175.10 177.30 2dk9 n HIS 24 N 4.88 0.13 -2.34 5.22 8.25 -1.26 -4.85 115.22 125.26 2dk9 n HIS 24 Ca -0.13 -3.57 -0.42 0.00 -0.26 0.00 0.00 57.72 53.34 2dk9 n HIS 24 Cb 0.50 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.54 2dk9 n HIS 24 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2dk9 s VAL 25 N -0.59 3.83 0.00 1.59 1.01 -1.26 -4.70 120.40 120.28 2dk9 s VAL 25 Ca 0.32 0.80 0.02 0.00 0.00 0.00 0.00 61.98 63.13 2dk9 s VAL 25 Cb 0.06 -4.24 0.04 0.00 0.00 0.00 0.00 36.38 32.24 2dk9 s VAL 25 CO -0.17 -0.87 0.78 -0.24 0.00 0.00 0.00 175.10 174.61 2dk9 n SER 26 N 9.24 -0.21 -4.06 3.32 2.88 -1.26 -4.36 113.62 119.17 2dk9 n SER 26 Ca 0.16 -1.54 -0.10 0.00 -1.33 0.00 0.00 58.87 56.06 2dk9 n SER 26 Cb 0.48 0.04 -0.11 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.63 0.63 -0.55 -3.46 1.11 -1.26 -5.02 116.67 107.49 2dk9 s ASP 27 Ca 0.03 -0.73 -0.01 0.00 0.18 0.00 0.00 52.55 52.02 2dk9 s ASP 27 Cb 0.04 0.11 0.45 0.00 1.07 0.00 0.00 42.92 44.58 2dk9 s ASP 27 CO -0.02 -0.38 1.99 0.18 1.18 0.00 0.00 175.17 178.12 2dk9 n LEU 28 N 0.88 7.21 0.00 1.23 7.99 -1.26 -4.25 117.00 128.80 2dk9 n LEU 28 Ca -0.19 -3.93 0.00 0.00 -0.01 0.00 0.00 56.01 51.88 2dk9 n LEU 28 Cb 0.57 -0.95 0.00 0.00 -0.11 0.00 0.00 43.42 42.93 2dk9 n LEU 28 CO 0.24 1.32 0.00 -0.24 -1.51 0.00 0.00 177.39 177.20 2dk9 n SER 29 N -0.73 0.00 0.23 -1.43 2.88 -1.26 -4.85 113.62 108.45 2dk9 n SER 29 Ca 0.56 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 58.28 2dk9 n SER 29 Cb 0.85 0.00 0.86 0.00 -0.75 0.00 0.00 64.21 65.17 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 0.25 -3.46 0.02 -1.82 0.28 113.55 108.82 2dk9 h SER 30 Ca 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 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 -0.32 0.28 -1.14 0.00 0.00 176.83 175.65 2dk9 h SER 31 N 0.00 0.11 -0.50 3.07 0.02 -1.92 -2.56 113.55 111.77 2dk9 h SER 31 Ca 0.08 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 2dk9 h SER 31 Cb 0.55 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2dk9 h SER 31 CO -0.00 0.43 0.01 0.79 -1.14 0.00 0.00 176.83 176.92 2dk9 n TRP 32 N -4.13 1.80 0.26 3.45 7.02 0.07 -4.41 117.44 121.50 2dk9 n TRP 32 Ca -0.02 -0.79 -0.16 0.00 -1.02 0.00 0.00 57.50 55.51 2dk9 n TRP 32 Cb 0.39 -0.47 -0.08 0.00 -2.42 0.00 0.00 31.31 28.73 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 3.36 -0.81 -0.02 6.99 0.00 -1.32 -2.19 119.26 125.28 2dk9 h ALA 33 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2dk9 h ALA 33 Cb 1.86 0.47 0.00 0.00 0.00 0.00 0.00 17.79 20.12 2dk9 h ALA 33 CO 0.43 -0.98 0.00 -0.40 0.00 0.00 0.00 179.25 178.30 2dk9 n ASP 34 N -5.47 0.46 -1.33 0.00 5.68 -1.26 -4.38 116.55 110.25 2dk9 n ASP 34 Ca -0.11 -1.25 -0.13 0.00 -0.50 0.00 0.00 54.79 52.80 2dk9 n ASP 34 Cb 0.37 -0.01 -0.02 0.00 -1.14 0.00 0.00 41.12 40.32 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 1.00 0.18 0.16 6.12 0.00 -0.82 -4.57 105.19 107.27 2dk9 n GLY 35 Ca 0.20 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 0.50 -0.25 0.99 3.38 -1.83 -2.57 115.31 115.53 2dk9 h LEU 36 Ca -0.29 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.30 2dk9 h LEU 36 Cb 1.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2dk9 h LEU 36 CO 0.36 1.15 0.13 0.00 0.09 0.00 0.00 178.44 180.17 2dk9 h ALA 37 N 0.82 0.32 -0.35 1.53 0.00 -1.91 0.50 119.26 120.17 2dk9 h ALA 37 Ca -0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2dk9 h ALA 37 Cb 1.47 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2dk9 h ALA 37 CO 0.15 -0.13 -0.03 1.25 0.00 0.00 0.00 179.25 180.48 2dk9 h LEU 38 N 0.28 0.63 -0.80 0.00 6.46 -1.95 -2.55 115.31 117.39 2dk9 h LEU 38 Ca 0.09 -0.33 -0.10 0.00 -0.12 0.00 0.00 57.88 57.41 2dk9 h LEU 38 Cb 0.09 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 2dk9 h LEU 38 CO -0.01 0.81 -0.20 0.00 -0.62 0.00 0.00 178.44 178.42 2dk9 h ALA 40 N 1.17 0.17 -0.24 0.00 0.00 0.13 -0.52 119.26 119.98 2dk9 h ALA 40 Ca 0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2dk9 h ALA 40 Cb 0.68 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2dk9 h ALA 40 CO 0.05 -0.35 0.14 -0.07 0.00 0.00 0.00 179.25 179.02 2dk9 h LEU 41 N 0.18 0.30 -0.86 0.00 3.38 -1.38 -2.21 115.31 114.72 2dk9 h LEU 41 Ca 0.05 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2dk9 h LEU 41 Cb -0.01 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 2dk9 h LEU 41 CO -0.02 0.28 0.54 0.58 0.09 0.00 0.00 178.44 179.91 2dk9 h VAL 42 N 0.30 1.09 -0.72 1.22 2.07 -1.26 -1.64 116.25 117.31 2dk9 h VAL 42 Ca 0.09 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2dk9 h VAL 42 Cb 0.04 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.75 2dk9 h VAL 42 CO -0.02 0.19 0.39 0.22 0.02 0.00 0.00 177.57 178.37 2dk9 h TYR 43 N 1.02 0.98 -0.81 1.57 3.20 -0.77 0.95 116.97 123.12 2dk9 h TYR 43 Ca 0.36 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.17 2dk9 h TYR 43 Cb 0.09 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.01 2dk9 h TYR 43 CO -0.03 0.69 0.35 -0.09 -1.64 0.00 0.00 178.16 177.44 2dk9 h ARG 44 N 1.01 1.19 0.04 1.82 1.12 -0.69 0.90 114.38 119.76 2dk9 h ARG 44 Ca 0.25 -0.20 -0.27 0.00 -1.11 0.00 0.00 59.98 58.66 2dk9 h ARG 44 Cb 0.03 -0.20 -0.03 0.00 -0.01 0.00 0.00 29.97 29.76 2dk9 h ARG 44 CO -0.04 0.94 -1.41 -0.07 -3.11 0.00 0.00 179.97 176.28 2dk9 h LEU 45 N 1.16 0.13 -5.97 3.80 -0.00 -1.01 -3.41 115.31 110.01 2dk9 h LEU 45 Ca 0.27 -0.18 -0.55 0.00 -0.00 0.00 0.00 57.88 57.42 2dk9 h LEU 45 Cb 0.17 -0.04 -0.38 0.00 -0.00 0.00 0.00 40.66 40.41 2dk9 h LEU 45 CO -0.03 1.15 -1.08 0.00 -0.00 0.00 0.00 178.44 178.48 2dk9 n GLN 46 N -3.28 0.69 0.20 1.13 10.64 0.33 -4.95 117.38 122.14 2dk9 n GLN 46 Ca -0.11 -3.16 0.06 0.00 -1.83 0.00 0.00 57.00 51.96 2dk9 n GLN 46 Cb 1.01 -1.24 0.43 0.00 -0.86 0.00 0.00 30.24 29.59 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 4.06 0.00 -0.00 2.61 0.13 0.68 -2.58 132.00 136.89 2dk9 h PRO 47 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 2dk9 h PRO 47 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2dk9 h PRO 47 CO 0.45 0.32 -0.03 0.41 -0.23 0.00 0.00 178.00 178.91 2dk9 n GLY 48 N -0.20 -1.11 1.89 1.56 0.00 -1.26 -3.64 105.19 102.43 2dk9 n GLY 48 Ca -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.80 2dk9 n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dk9 n LEU 49 N -1.12 2.05 -3.77 0.99 4.77 -0.98 -5.08 117.00 113.86 2dk9 n LEU 49 Ca 0.16 -3.05 -0.09 0.00 -0.03 0.00 0.00 56.01 52.99 2dk9 n LEU 49 Cb 0.23 0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 2dk9 n LEU 49 CO 0.22 1.06 0.01 -0.22 -1.33 0.00 0.00 177.39 177.14 2dk9 s LEU 50 N -2.34 0.99 -0.39 2.23 1.98 -1.14 -5.00 118.68 115.01 2dk9 s LEU 50 Ca 0.35 -0.52 0.10 0.00 -2.89 0.00 0.00 54.13 51.16 2dk9 s LEU 50 Cb 0.37 1.37 0.30 0.00 0.66 0.00 0.00 46.19 48.89 2dk9 s LEU 50 CO -0.08 -0.79 0.70 -0.62 -1.89 0.00 0.00 176.35 173.68 2dk9 n GLU 51 N -0.13 0.87 -0.24 1.98 -0.58 -1.26 -4.94 120.64 116.34 2dk9 n GLU 51 Ca -0.15 -3.06 0.10 0.00 -0.42 0.00 0.00 57.16 53.63 2dk9 n GLU 51 Cb 0.63 -1.44 0.37 0.00 -0.57 0.00 0.00 31.44 30.42 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 3.44 0.69 -0.97 3.49 0.13 -1.98 -1.07 132.00 135.73 2dk9 h PRO 52 Ca 0.05 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2dk9 h PRO 52 Cb 0.95 -0.16 -0.05 0.00 0.13 0.00 0.00 31.00 31.88 2dk9 h PRO 52 CO 0.44 0.46 0.62 0.66 -0.23 0.00 0.00 178.00 179.95 2dk9 h SER 53 N 0.71 1.13 0.02 1.44 4.64 -1.96 0.13 113.55 119.65 2dk9 h SER 53 Ca 0.40 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2dk9 h SER 53 Cb 0.56 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2dk9 h SER 53 CO -0.16 0.83 -0.01 -0.08 -0.87 0.00 0.00 176.83 176.54 2dk9 h GLU 54 N 1.32 -0.02 0.00 4.77 4.81 -1.66 -3.10 114.58 120.70 2dk9 h GLU 54 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 2dk9 h GLU 54 Cb -0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2dk9 h GLU 54 CO -0.07 0.54 0.00 1.28 -0.73 0.00 0.00 179.01 180.03 2dk9 n LEU 55 N -4.83 0.42 -0.28 1.64 7.99 -0.66 -1.40 117.00 119.88 2dk9 n LEU 55 Ca -0.09 0.63 -0.06 0.00 -0.01 0.00 0.00 56.01 56.48 2dk9 n LEU 55 Cb 0.29 -0.60 0.06 0.00 -0.11 0.00 0.00 43.42 43.06 2dk9 n LEU 55 CO 0.33 -0.56 1.02 -0.61 -1.51 0.00 0.00 177.39 176.06 2dk9 h GLN 56 N 0.00 1.18 0.00 3.23 -0.00 -0.65 -3.31 115.11 115.56 2dk9 h GLN 56 Ca 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 58.65 58.42 2dk9 h GLN 56 Cb 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 27.48 27.52 2dk9 h GLN 56 CO 0.00 0.98 -0.72 0.41 0.00 0.00 0.00 178.83 179.50 2dk9 n GLY 57 N -0.82 0.14 0.34 2.39 0.00 -1.10 -4.58 105.19 101.56 2dk9 n GLY 57 Ca 0.07 -0.15 0.17 0.00 0.00 0.00 0.00 46.02 46.11 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 3.38 -1.32 -3.46 115.31 114.90 2dk9 h LEU 58 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dk9 h LEU 58 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2dk9 h LEU 58 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2dk9 n GLY 59 N -1.52 3.49 0.07 0.83 0.00 -1.25 -4.88 105.19 101.92 2dk9 n GLY 59 Ca 0.04 -1.27 -0.02 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.33 -0.78 4.61 0.00 -1.81 -2.36 119.26 118.59 2dk9 h ALA 60 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 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 -0.32 0.52 -0.07 0.00 0.00 0.00 179.25 179.38 2dk9 h LEU 61 N -0.38 0.87 -0.50 0.00 4.07 -1.90 -1.84 115.31 115.63 2dk9 h LEU 61 Ca -0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 2dk9 h LEU 61 Cb 0.11 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 2dk9 h LEU 61 CO 0.02 0.62 0.26 -0.08 -1.08 0.00 0.00 178.44 178.19 2dk9 h GLU 62 N 1.02 0.70 -0.48 1.13 4.57 -1.90 0.21 114.58 119.83 2dk9 h GLU 62 Ca 0.30 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.35 2dk9 h GLU 62 Cb -0.06 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.38 2dk9 h GLU 62 CO -0.07 0.56 0.16 0.00 -1.18 0.00 0.00 179.01 178.48 2dk9 h ALA 63 N 1.10 0.63 0.05 2.92 0.00 -0.86 0.11 119.26 123.20 2dk9 h ALA 63 Ca 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dk9 h ALA 63 Cb 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2dk9 h ALA 63 CO -0.03 0.27 -0.02 1.15 0.00 0.00 0.00 179.25 180.62 2dk9 h THR 64 N 0.64 1.20 -0.58 0.00 2.02 -1.14 0.27 112.91 115.32 2dk9 h THR 64 Ca 0.16 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 2dk9 h THR 64 Cb 0.25 1.75 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 2dk9 h THR 64 CO -0.01 0.21 0.32 0.00 0.37 0.00 0.00 175.52 176.42 2dk9 h ALA 65 N 0.50 0.75 -0.02 6.16 0.00 -0.57 0.39 119.26 126.47 2dk9 h ALA 65 Ca -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2dk9 h ALA 65 Cb 0.39 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2dk9 h ALA 65 CO 0.01 0.26 -0.00 2.35 0.00 0.00 0.00 179.25 181.87 2dk9 h TRP 66 N 0.79 0.03 -0.68 0.00 7.01 -0.80 -1.11 115.95 121.20 2dk9 h TRP 66 Ca 0.21 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.13 2dk9 h TRP 66 Cb 0.04 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.06 2dk9 h TRP 66 CO -0.01 0.37 0.16 0.00 -2.79 0.00 0.00 178.44 176.16 2dk9 h ALA 67 N 0.66 1.00 -0.33 2.65 0.00 -0.84 -1.51 119.26 120.89 2dk9 h ALA 67 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2dk9 h ALA 67 Cb 0.36 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2dk9 h ALA 67 CO 0.00 0.65 0.04 -0.07 0.00 0.00 0.00 179.25 179.87 2dk9 h LEU 68 N 1.02 0.54 -0.11 0.00 3.38 -0.20 0.42 115.31 120.36 2dk9 h LEU 68 Ca 0.21 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2dk9 h LEU 68 Cb 0.37 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2dk9 h LEU 68 CO 0.00 0.68 0.04 0.50 0.09 0.00 0.00 178.44 179.75 2dk9 h LYS 69 N 0.38 0.18 -0.29 1.13 3.64 -1.07 -1.40 116.57 119.14 2dk9 h LYS 69 Ca 0.10 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 2dk9 h LYS 69 Cb 0.38 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2dk9 h LYS 69 CO 0.01 0.31 -0.14 -0.24 -2.27 0.00 0.00 179.45 177.12 2dk9 h VAL 70 N 0.00 1.30 -0.59 2.00 3.04 -1.26 -0.32 116.25 120.42 2dk9 h VAL 70 Ca 0.04 -1.24 0.08 0.00 -1.01 0.00 0.00 66.70 64.56 2dk9 h VAL 70 Cb 0.21 1.49 -0.06 0.00 -2.01 0.00 0.00 31.29 30.92 2dk9 h VAL 70 CO -0.00 0.39 0.26 0.00 -1.01 0.00 0.00 177.57 177.21 2dk9 h ALA 71 N 0.75 0.77 -0.28 3.17 0.00 -0.12 0.91 119.26 124.45 2dk9 h ALA 71 Ca 0.06 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 2dk9 h ALA 71 Cb 0.66 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2dk9 h ALA 71 CO 0.04 -0.13 -0.42 1.49 0.00 0.00 0.00 179.25 180.23 2dk9 h GLU 72 N 0.48 0.70 -0.36 0.00 4.22 -1.19 0.36 114.58 118.79 2dk9 h GLU 72 Ca 0.29 -0.37 -0.14 0.00 0.08 0.00 0.00 59.36 59.22 2dk9 h GLU 72 Cb 0.29 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2dk9 h GLU 72 CO -0.25 0.99 -0.31 -0.97 -2.18 0.00 0.00 179.01 176.29 2dk9 h ASN 73 N 0.57 0.89 0.19 1.04 -1.24 0.12 0.46 115.58 117.61 2dk9 h ASN 73 Ca 0.04 -0.46 -0.27 0.00 0.71 0.00 0.00 56.30 56.33 2dk9 h ASN 73 Cb 0.97 -0.25 0.02 0.00 0.73 0.00 0.00 38.32 39.79 2dk9 h ASN 73 CO 0.09 1.16 -1.21 -0.08 -1.29 0.00 0.00 177.43 176.10 2dk9 h GLU 74 N 0.64 0.40 0.00 6.67 4.22 0.83 -3.41 114.58 123.92 2dk9 h GLU 74 Ca 0.06 -0.68 -0.39 0.00 0.08 0.00 0.00 59.36 58.43 2dk9 h GLU 74 Cb 0.89 0.25 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 2dk9 h GLU 74 CO 0.08 1.32 -2.34 1.28 -2.18 0.00 0.00 179.01 177.18 2dk9 n LEU 75 N -3.91 2.00 0.00 1.64 4.77 0.13 -5.04 117.00 116.59 2dk9 n LEU 75 Ca -0.17 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2dk9 n LEU 75 Cb 0.96 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2dk9 n LEU 75 CO 0.53 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 2dk9 n GLY 76 N 1.71 1.57 3.55 -0.72 0.00 0.16 -4.98 105.19 106.47 2dk9 n GLY 76 Ca -0.46 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 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 4.24 0.11 -0.61 -1.09 -1.25 -4.90 121.20 115.69 2dk9 s ILE 77 Ca 0.00 0.55 -0.30 0.00 -2.23 0.00 0.00 60.65 58.67 2dk9 s ILE 77 Cb 0.00 -4.61 -0.07 0.00 -1.58 0.00 0.00 42.46 36.20 2dk9 s ILE 77 CO 0.00 -1.20 1.19 0.28 -1.23 0.00 0.00 174.94 173.98 2dk9 s THR 78 N 4.35 3.89 0.29 2.92 -1.32 -1.26 -3.75 115.64 120.76 2dk9 s THR 78 Ca 0.36 1.44 -0.29 0.00 -1.21 0.00 0.00 61.69 61.99 2dk9 s THR 78 Cb -0.10 -3.92 -0.13 0.00 -1.51 0.00 0.00 72.50 66.83 2dk9 s THR 78 CO 0.22 0.16 1.18 -2.65 -2.21 0.00 0.00 174.62 171.32 2dk9 n PRO 79 N 3.37 1.72 -0.00 7.08 -0.02 -1.26 -4.92 135.00 140.96 2dk9 n PRO 79 Ca 0.07 0.60 0.04 0.00 -2.02 0.00 0.00 63.50 62.19 2dk9 n PRO 79 Cb 0.46 -2.10 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 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 0.58 0.00 -4.01 -1.45 0.31 -1.26 -5.03 118.33 107.47 2dk9 n VAL 80 Ca 0.08 -0.21 -0.11 0.00 -0.01 0.00 0.00 64.34 64.10 2dk9 n VAL 80 Cb 0.33 0.48 -0.12 0.00 -0.91 0.00 0.00 33.84 33.62 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 -2.34 0.25 0.45 2.52 -7.23 -1.26 -4.97 120.40 107.82 2dk9 s VAL 81 Ca -0.02 -0.86 -0.22 0.00 -1.81 0.00 0.00 61.98 59.08 2dk9 s VAL 81 Cb 0.05 -0.35 -0.09 0.00 0.56 0.00 0.00 36.38 36.55 2dk9 s VAL 81 CO 0.31 -0.39 1.03 -0.44 -0.31 0.00 0.00 175.10 175.29 2dk9 s SER 82 N -1.32 6.56 0.20 4.85 0.01 -1.26 -4.92 113.70 117.82 2dk9 s SER 82 Ca -0.12 1.93 -0.10 0.00 1.31 0.00 0.00 55.95 58.97 2dk9 s SER 82 Cb -0.09 -2.57 0.19 0.00 0.21 0.00 0.00 66.02 63.77 2dk9 s SER 82 CO -0.00 -0.63 1.83 0.00 0.41 0.00 0.00 173.24 174.85 2dk9 h ALA 83 N 1.91 0.89 -0.95 1.44 0.00 -1.95 -1.57 119.26 119.02 2dk9 h ALA 83 Ca -0.49 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.47 2dk9 h ALA 83 Cb 1.21 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 2dk9 h ALA 83 CO 0.60 0.15 0.62 0.37 0.00 0.00 0.00 179.25 180.99 2dk9 h GLN 84 N 0.79 1.08 -0.21 0.00 4.15 -1.96 -0.59 115.11 118.37 2dk9 h GLN 84 Ca 0.28 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 59.57 2dk9 h GLN 84 Cb 0.06 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 2dk9 h GLN 84 CO -0.12 0.72 -0.11 0.00 -1.93 0.00 0.00 178.83 177.38 2dk9 h ALA 85 N 1.48 0.30 0.10 3.38 0.00 -1.75 0.52 119.26 123.29 2dk9 h ALA 85 Ca 0.40 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2dk9 h ALA 85 Cb 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2dk9 h ALA 85 CO -0.15 0.15 -0.05 0.28 0.00 0.00 0.00 179.25 179.48 2dk9 h VAL 86 N 0.16 0.91 -0.16 0.00 2.07 -0.82 0.82 116.25 119.21 2dk9 h VAL 86 Ca 0.05 -0.03 -0.10 0.00 0.82 0.00 0.00 66.70 67.44 2dk9 h VAL 86 Cb 0.61 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2dk9 h VAL 86 CO 0.03 0.01 -0.33 0.58 0.02 0.00 0.00 177.57 177.89 2dk9 h VAL 87 N -0.16 1.28 0.00 2.57 2.07 -1.16 -2.64 116.25 118.21 2dk9 h VAL 87 Ca -0.01 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2dk9 h VAL 87 Cb 0.12 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2dk9 h VAL 87 CO 0.02 0.41 -0.27 0.00 0.02 0.00 0.00 177.57 177.76 2dk9 n ALA 88 N -2.48 2.66 -2.64 1.67 0.00 0.17 -4.59 120.51 115.31 2dk9 n ALA 88 Ca -0.01 -0.15 -0.21 0.00 0.00 0.00 0.00 53.44 53.07 2dk9 n ALA 88 Cb 0.43 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.80 0.00 0.00 0.28 -4.87 105.19 103.27 2dk9 n GLY 89 Ca 0.05 0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 2dk9 n GLY 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dk9 n SER 90 N -2.16 3.64 -2.86 1.61 3.41 -0.89 -4.64 113.62 111.72 2dk9 n SER 90 Ca -0.19 -3.71 -0.12 0.00 -0.26 0.00 0.00 58.87 54.59 2dk9 n SER 90 Cb 0.65 -0.75 0.03 0.00 -0.26 0.00 0.00 64.21 63.88 2dk9 n SER 90 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2dk9 n ASP 91 N -1.10 -1.97 -0.23 4.04 -0.08 -1.26 -5.00 116.55 110.95 2dk9 n ASP 91 Ca 0.49 -3.22 -0.07 0.00 -1.51 0.00 0.00 54.79 50.48 2dk9 n ASP 91 Cb 1.30 1.19 0.04 0.00 2.34 0.00 0.00 41.12 45.99 2dk9 n ASP 91 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2dk9 h PRO 92 N 3.79 0.91 -0.62 -0.67 0.13 -1.94 -2.00 132.00 131.60 2dk9 h PRO 92 Ca -0.08 -0.12 0.03 0.00 -0.87 0.00 0.00 66.00 64.95 2dk9 h PRO 92 Cb 1.01 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 31.93 2dk9 h PRO 92 CO 0.34 0.71 0.38 -0.07 -0.23 0.00 0.00 178.00 179.13 2dk9 h LEU 93 N 0.88 0.62 -0.82 1.56 3.38 -2.00 -2.33 115.31 116.60 2dk9 h LEU 93 Ca 0.22 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 2dk9 h LEU 93 Cb 0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2dk9 h LEU 93 CO -0.03 0.43 -0.29 1.23 0.09 0.00 0.00 178.44 179.87 2dk9 h GLY 94 N 0.75 0.61 1.01 0.83 0.00 -1.89 -2.54 103.07 101.83 2dk9 h GLY 94 Ca 0.25 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 47.06 2dk9 h GLY 94 CO -0.11 0.48 0.45 -2.00 0.00 0.00 0.00 176.54 175.36 2dk9 h LEU 95 N 0.48 0.78 -0.16 3.11 5.85 -0.85 0.50 115.31 125.04 2dk9 h LEU 95 Ca 0.06 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2dk9 h LEU 95 Cb 0.74 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 2dk9 h LEU 95 CO 0.06 0.57 -0.05 0.40 -0.34 0.00 0.00 178.44 179.08 2dk9 h ILE 96 N 0.92 1.30 -0.58 4.05 1.08 -1.36 -1.99 117.51 120.93 2dk9 h ILE 96 Ca 0.25 -1.05 -0.01 0.00 -0.39 0.00 0.00 64.86 63.66 2dk9 h ILE 96 Cb -0.10 1.67 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 2dk9 h ILE 96 CO -0.05 0.31 0.32 0.00 -0.69 0.00 0.00 178.15 178.03 2dk9 h ALA 97 N 0.70 1.47 -0.12 1.87 0.00 -1.25 -2.26 119.26 119.67 2dk9 h ALA 97 Ca 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2dk9 h ALA 97 Cb 0.50 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2dk9 h ALA 97 CO 0.02 0.44 -0.05 -0.92 0.00 0.00 0.00 179.25 178.74 2dk9 h TYR 98 N 0.81 0.27 -0.40 0.00 5.03 -0.81 -3.01 116.97 118.86 2dk9 h TYR 98 Ca 0.21 -0.07 0.05 0.00 2.58 0.00 0.00 58.73 61.50 2dk9 h TYR 98 Cb 0.02 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.22 2dk9 h TYR 98 CO 0.00 0.57 0.27 -0.07 -1.32 0.00 0.00 178.16 177.62 2dk9 h LEU 99 N -0.10 0.28 -1.06 2.82 -0.00 -1.09 -1.02 115.31 115.14 2dk9 h LEU 99 Ca 0.03 -0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.86 2dk9 h LEU 99 Cb 0.50 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.07 2dk9 h LEU 99 CO 0.02 0.19 0.14 0.28 -0.00 0.00 0.00 178.44 179.07 2dk9 h SER 100 N 0.33 0.76 -0.02 -0.43 0.02 -1.28 0.13 113.55 113.06 2dk9 h SER 100 Ca 0.17 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 2dk9 h SER 100 Cb 0.28 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2dk9 h SER 100 CO -0.04 0.74 -0.17 -0.74 -1.14 0.00 0.00 176.83 175.48 2dk9 h HIS 101 N 0.79 0.20 -0.74 3.45 -0.00 -1.15 -1.80 115.15 115.90 2dk9 h HIS 101 Ca 0.18 -0.10 -0.04 0.00 -0.00 0.00 0.00 60.37 60.41 2dk9 h HIS 101 Cb 0.27 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.62 2dk9 h HIS 101 CO 0.02 0.85 0.32 0.74 -0.00 0.00 0.00 177.93 179.86 2dk9 h PHE 102 N -0.50 1.10 -0.31 5.26 -1.00 -1.28 0.12 116.94 120.32 2dk9 h PHE 102 Ca -0.02 -0.07 -0.07 0.00 2.81 0.00 0.00 57.97 60.62 2dk9 h PHE 102 Cb 0.89 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 40.10 2dk9 h PHE 102 CO 0.17 0.83 -0.08 1.25 -1.61 0.00 0.00 178.31 178.87 2dk9 h HIS 103 N 1.05 0.67 -0.38 -0.55 2.76 -0.81 -0.28 115.15 117.62 2dk9 h HIS 103 Ca 0.25 -0.15 -0.07 0.00 -2.20 0.00 0.00 60.37 58.21 2dk9 h HIS 103 Cb 0.17 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 2dk9 h HIS 103 CO 0.01 0.78 -0.03 0.77 -1.30 0.00 0.00 177.93 178.17 2dk9 h SER 104 N 0.37 0.68 -0.35 3.26 0.02 -1.13 -0.24 113.55 116.16 2dk9 h SER 104 Ca 0.08 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.65 2dk9 h SER 104 Cb 0.57 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2dk9 h SER 104 CO 0.03 0.84 0.01 0.00 -1.14 0.00 0.00 176.83 176.58 2dk9 h ALA 105 N 0.86 0.47 0.00 3.77 0.00 -0.74 -2.75 119.26 120.87 2dk9 h ALA 105 Ca 0.10 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2dk9 h ALA 105 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2dk9 h ALA 105 CO 0.03 0.22 -0.39 0.74 0.00 0.00 0.00 179.25 179.85 2dk9 h PHE 106 N 0.43 0.00 -0.23 0.00 -1.00 -1.01 0.69 116.94 115.82 2dk9 h PHE 106 Ca 0.10 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.79 2dk9 h PHE 106 Cb 0.43 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.98 2dk9 h PHE 106 CO 0.03 0.39 -0.25 -0.22 -1.61 0.00 0.00 178.31 176.65 2dk9 h LYS 107 N 0.00 0.42 -0.02 1.51 1.63 -0.80 -3.19 116.57 116.12 2dk9 h LYS 107 Ca -0.00 -0.15 -0.07 0.00 -0.85 0.00 0.00 60.65 59.57 2dk9 h LYS 107 Cb 0.73 -0.03 -0.14 0.00 -0.60 0.00 0.00 32.23 32.19 2dk9 h LYS 107 CO 0.05 0.64 -0.69 0.45 -3.45 0.00 0.00 179.45 176.46 2dk9 n SER 108 N -4.13 1.55 0.00 4.20 2.88 -1.06 -5.09 113.62 111.96 2dk9 n SER 108 Ca -0.00 -3.27 0.00 0.00 -1.33 0.00 0.00 58.87 54.27 2dk9 n SER 108 Cb 0.39 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 2dk9 n SER 108 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61