#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 5.51 3.58 3.03 0.00 -1.26 -5.02 105.19 111.04 2dk9 n GLY -7 Ca 0.00 -2.70 -0.42 0.00 0.00 0.00 0.00 46.02 42.90 2dk9 n GLY -7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dk9 s HIS -6 N -3.37 2.12 0.00 1.61 0.09 -1.26 -4.69 115.29 109.79 2dk9 s HIS -6 Ca 0.40 0.59 0.00 0.00 -0.00 0.00 0.00 55.06 56.06 2dk9 s HIS -6 Cb 0.17 -4.28 0.00 0.00 -0.00 0.00 0.00 32.58 28.48 2dk9 s HIS -6 CO -0.05 -2.21 0.00 1.58 -0.00 0.00 0.00 174.74 174.05 2dk9 n HIS -5 N 10.06 0.00 -3.78 1.40 -0.00 -1.26 -5.09 115.22 116.54 2dk9 n HIS -5 Ca 0.16 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.75 2dk9 n HIS -5 Cb 0.49 0.14 -0.14 0.00 -0.00 0.00 0.00 29.99 30.48 2dk9 n HIS -5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2dk9 s HIS -4 N -1.84 -0.09 0.38 1.57 0.09 -1.26 -5.16 115.29 108.97 2dk9 s HIS -4 Ca 0.00 0.31 0.02 0.00 -0.00 0.00 0.00 55.06 55.39 2dk9 s HIS -4 Cb 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 32.58 32.49 2dk9 s HIS -4 CO 0.00 -0.11 0.06 0.72 -0.00 0.00 0.00 174.74 175.41 2dk9 n HIS -3 N 3.81 0.53 -3.92 1.40 -0.00 -1.26 -5.16 115.22 110.62 2dk9 n HIS -3 Ca -0.22 -2.12 -0.21 0.00 -0.00 0.00 0.00 57.72 55.17 2dk9 n HIS -3 Cb 0.54 -0.14 -0.03 0.00 -0.00 0.00 0.00 29.99 30.36 2dk9 n HIS -3 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2dk9 s HIS -2 N -2.67 3.15 -0.11 4.41 5.04 -1.26 -5.04 115.29 118.81 2dk9 s HIS -2 Ca 0.09 -0.15 0.12 0.00 -1.54 0.00 0.00 55.06 53.58 2dk9 s HIS -2 Cb 0.00 -1.62 -0.24 0.00 0.04 0.00 0.00 32.58 30.77 2dk9 s HIS -2 CO 0.06 0.35 0.41 -2.39 -2.34 0.00 0.00 174.74 170.83 2dk9 n HIS -1 N -1.35 0.66 -3.68 3.88 -0.00 -1.26 -4.75 115.22 108.73 2dk9 n HIS -1 Ca -0.06 0.22 -0.38 0.00 -0.00 0.00 0.00 57.72 57.51 2dk9 n HIS -1 Cb 0.58 -1.12 -0.10 0.00 -0.00 0.00 0.00 29.99 29.35 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 -2.56 2.22 0.00 -1.40 -2.45 -1.26 -4.85 119.30 109.00 2dk9 s MET 0 Ca -0.09 -1.82 0.00 0.00 -1.25 0.00 0.00 55.69 52.53 2dk9 s MET 0 Cb 0.07 -3.73 0.00 0.00 1.25 0.00 0.00 34.83 32.42 2dk9 s MET 0 CO 0.81 -1.13 0.00 0.41 1.05 0.00 0.00 175.02 176.16 2dk9 n GLY 1 N 4.70 -0.42 0.30 2.11 0.00 -1.26 -4.82 105.19 105.80 2dk9 n GLY 1 Ca -0.04 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 1.01 -0.43 1.61 0.87 -1.95 -2.34 113.55 112.32 2dk9 h SER 2 Ca 0.00 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 2dk9 h SER 2 Cb 0.00 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.69 2dk9 h SER 2 CO 0.00 1.04 0.00 0.00 -0.53 0.00 0.00 176.83 177.34 2dk9 n ALA 3 N -2.46 3.39 -0.02 6.23 0.00 -1.26 -4.11 120.51 122.28 2dk9 n ALA 3 Ca 0.03 -1.33 -0.02 0.00 0.00 0.00 0.00 53.44 52.12 2dk9 n ALA 3 Cb 0.31 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 2dk9 n ALA 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dk9 n GLY 4 N 0.55 -0.11 0.25 0.00 0.00 -0.97 -4.53 105.19 100.38 2dk9 n GLY 4 Ca 0.20 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 2dk9 n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dk9 h THR 5 N 0.00 1.28 -0.23 2.61 1.03 -1.59 -3.05 112.91 112.96 2dk9 h THR 5 Ca -0.09 -1.67 -0.04 0.00 -0.01 0.00 0.00 66.41 64.60 2dk9 h THR 5 Cb 1.17 1.56 -0.01 0.00 -1.07 0.00 0.00 68.15 69.79 2dk9 h THR 5 CO -0.00 0.55 -0.04 1.56 -0.01 0.00 0.00 175.52 177.58 2dk9 h GLN 6 N 0.66 0.35 -0.25 0.00 4.20 -1.84 -2.79 115.11 115.45 2dk9 h GLN 6 Ca 0.03 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2dk9 h GLN 6 Cb 1.08 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 2dk9 h GLN 6 CO 0.11 0.41 0.10 1.49 -0.67 0.00 0.00 178.83 180.27 2dk9 h GLU 7 N 0.34 0.37 -0.12 1.46 4.81 -1.77 -2.24 114.58 117.44 2dk9 h GLU 7 Ca 0.08 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 2dk9 h GLU 7 Cb 0.29 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2dk9 h GLU 7 CO 0.01 0.41 -0.10 1.05 -0.73 0.00 0.00 179.01 179.65 2dk9 h GLU 8 N 0.25 0.18 -0.27 1.92 4.11 -1.48 -2.39 114.58 116.89 2dk9 h GLU 8 Ca 0.08 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.41 2dk9 h GLU 8 Cb 0.18 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2dk9 h GLU 8 CO -0.01 0.29 -0.10 -0.07 0.07 0.00 0.00 179.01 179.19 2dk9 h LEU 9 N 0.17 0.56 -1.23 3.06 3.38 -1.23 -2.54 115.31 117.49 2dk9 h LEU 9 Ca 0.04 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 2dk9 h LEU 9 Cb 0.30 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2dk9 h LEU 9 CO 0.02 0.82 0.05 -0.07 0.09 0.00 0.00 178.44 179.35 2dk9 h LEU 10 N 0.30 0.53 -0.38 1.67 4.07 -1.10 -1.09 115.31 119.30 2dk9 h LEU 10 Ca 0.07 -0.09 -0.05 0.00 0.08 0.00 0.00 57.88 57.89 2dk9 h LEU 10 Cb 0.60 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 2dk9 h LEU 10 CO 0.03 0.57 0.05 0.03 -1.08 0.00 0.00 178.44 178.05 2dk9 h ARG 11 N 0.56 0.64 -0.51 1.13 2.47 -1.31 0.36 114.38 117.72 2dk9 h ARG 11 Ca 0.12 -0.18 -0.12 0.00 -1.26 0.00 0.00 59.98 58.55 2dk9 h ARG 11 Cb 0.28 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 2dk9 h ARG 11 CO 0.00 0.70 -0.16 2.35 0.56 0.00 0.00 179.97 183.43 2dk9 h TRP 12 N 0.48 1.13 -0.34 3.04 7.01 -1.16 -2.18 115.95 123.93 2dk9 h TRP 12 Ca 0.11 -0.25 -0.05 0.00 2.11 0.00 0.00 58.89 60.81 2dk9 h TRP 12 Cb 0.38 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 2dk9 h TRP 12 CO 0.03 1.07 0.02 0.00 -2.79 0.00 0.00 178.44 176.77 2dk9 h GLN 14 N 0.40 1.13 -0.27 0.00 4.15 -0.87 0.24 115.11 119.90 2dk9 h GLN 14 Ca 0.10 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 2dk9 h GLN 14 Cb 0.42 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 2dk9 h GLN 14 CO 0.01 0.79 -0.00 0.93 -1.93 0.00 0.00 178.83 178.63 2dk9 h GLU 15 N 1.14 0.48 -0.10 1.69 4.39 -1.27 -1.81 114.58 119.10 2dk9 h GLU 15 Ca 0.30 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.76 2dk9 h GLU 15 Cb -0.04 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2dk9 h GLU 15 CO -0.06 0.64 -0.31 1.96 -1.16 0.00 0.00 179.01 180.09 2dk9 h GLN 16 N 0.26 0.18 -0.22 2.33 1.08 -0.96 -2.12 115.11 115.66 2dk9 h GLN 16 Ca 0.08 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2dk9 h GLN 16 Cb 0.43 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2dk9 h GLN 16 CO 0.01 0.49 0.00 2.41 -0.95 0.00 0.00 178.83 180.79 2dk9 n THR 17 N -4.12 0.29 -2.58 -0.54 -1.04 0.82 -4.87 114.28 102.23 2dk9 n THR 17 Ca -0.01 -0.34 -0.42 0.00 -2.04 0.00 0.00 64.05 61.24 2dk9 n THR 17 Cb 0.40 0.22 -0.03 0.00 -1.82 0.00 0.00 70.33 69.10 2dk9 n THR 17 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dk9 s ALA 18 N -1.71 3.45 0.00 2.41 0.00 -0.70 -4.12 121.76 121.08 2dk9 s ALA 18 Ca 0.25 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2dk9 s ALA 18 Cb 0.13 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2dk9 s ALA 18 CO 0.19 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.68 2dk9 n GLY 19 N 3.22 0.92 3.64 0.00 0.00 -1.26 -5.05 105.19 106.66 2dk9 n GLY 19 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2dk9 n GLY 19 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dk9 s TYR 20 N 0.00 3.32 -0.43 1.61 1.51 -1.26 -4.96 117.35 117.14 2dk9 s TYR 20 Ca 0.00 0.90 -0.22 0.00 -1.01 0.00 0.00 57.07 56.74 2dk9 s TYR 20 Cb 0.00 -2.85 -0.22 0.00 -0.11 0.00 0.00 41.96 38.78 2dk9 s TYR 20 CO 0.00 -0.27 1.74 -2.30 -1.11 0.00 0.00 175.55 173.61 2dk9 n PRO 21 N 5.47 0.87 0.00 -1.71 -0.02 -1.26 -2.22 135.00 136.13 2dk9 n PRO 21 Ca -0.00 -1.39 0.00 0.00 -2.02 0.00 0.00 63.50 60.09 2dk9 n PRO 21 Cb 0.49 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 2dk9 n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dk9 n GLY 22 N 4.60 0.65 3.67 -1.23 0.00 -1.26 -5.12 105.19 106.50 2dk9 n GLY 22 Ca 0.44 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.04 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 4.58 -0.13 1.61 1.01 -0.94 -5.02 120.40 121.51 2dk9 s VAL 23 Ca 0.00 1.89 -0.01 0.00 0.00 0.00 0.00 61.98 63.85 2dk9 s VAL 23 Cb 0.00 -4.21 0.04 0.00 0.00 0.00 0.00 36.38 32.20 2dk9 s VAL 23 CO 0.00 -0.09 -0.02 -2.28 0.00 0.00 0.00 175.10 172.71 2dk9 s HIS 24 N 2.72 1.16 -0.91 5.22 2.46 -1.26 -4.76 115.29 119.92 2dk9 s HIS 24 Ca 0.49 -0.64 -0.15 0.00 0.47 0.00 0.00 55.06 55.23 2dk9 s HIS 24 Cb -0.19 -1.06 0.20 0.00 -0.13 0.00 0.00 32.58 31.40 2dk9 s HIS 24 CO 0.14 -0.49 0.93 0.08 -2.47 0.00 0.00 174.74 172.93 2dk9 s VAL 25 N 1.81 5.40 0.00 0.89 1.01 -1.26 -4.63 120.40 123.63 2dk9 s VAL 25 Ca 0.03 -2.36 0.00 0.00 0.00 0.00 0.00 61.98 59.65 2dk9 s VAL 25 Cb -0.14 -4.59 0.00 0.00 0.00 0.00 0.00 36.38 31.65 2dk9 s VAL 25 CO -0.07 -1.20 0.79 -0.24 0.00 0.00 0.00 175.10 174.38 2dk9 n SER 26 N 4.57 0.00 -3.92 3.32 2.88 -1.26 -3.95 113.62 115.27 2dk9 n SER 26 Ca 0.19 -1.62 -0.14 0.00 -1.33 0.00 0.00 58.87 55.97 2dk9 n SER 26 Cb 0.46 -0.12 -0.14 0.00 -0.75 0.00 0.00 64.21 63.66 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 -0.62 0.29 -0.49 -3.46 1.01 -1.26 -5.04 116.67 107.10 2dk9 s ASP 27 Ca 0.00 -0.07 -0.00 0.00 0.71 0.00 0.00 52.55 53.18 2dk9 s ASP 27 Cb 0.00 -0.02 0.41 0.00 1.01 0.00 0.00 42.92 44.31 2dk9 s ASP 27 CO 0.00 0.01 1.95 0.18 0.21 0.00 0.00 175.17 177.52 2dk9 n LEU 28 N 2.92 6.90 0.00 1.23 4.32 -1.26 -4.07 117.00 127.04 2dk9 n LEU 28 Ca -0.13 -3.71 0.00 0.00 -0.02 0.00 0.00 56.01 52.15 2dk9 n LEU 28 Cb 0.59 -0.94 0.00 0.00 -1.62 0.00 0.00 43.42 41.44 2dk9 n LEU 28 CO 0.25 1.26 0.00 -1.20 -1.22 0.00 0.00 177.39 176.48 2dk9 n SER 29 N -0.54 0.00 -0.36 -1.43 7.64 -1.26 -4.76 113.62 112.91 2dk9 n SER 29 Ca 0.50 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.36 2dk9 n SER 29 Cb 0.85 0.05 0.13 0.00 -1.01 0.00 0.00 64.21 64.23 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 1.12 -0.73 6.43 0.02 -1.91 -1.82 113.55 116.66 2dk9 h SER 30 Ca 0.00 -0.03 0.21 0.00 -0.84 0.00 0.00 61.79 61.13 2dk9 h SER 30 Cb 0.00 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 2dk9 h SER 30 CO 0.00 0.81 0.53 -1.28 -1.14 0.00 0.00 176.83 175.75 2dk9 h SER 31 N 1.32 0.00 -0.35 3.07 0.87 -1.88 0.22 113.55 116.81 2dk9 h SER 31 Ca 0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2dk9 h SER 31 Cb -0.15 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2dk9 h SER 31 CO -0.08 0.00 0.00 0.79 -0.53 0.00 0.00 176.83 177.01 2dk9 n TRP 32 N -4.28 0.60 0.27 2.24 7.02 -0.75 -3.77 117.44 118.77 2dk9 n TRP 32 Ca 0.15 -0.58 -0.16 0.00 -1.02 0.00 0.00 57.50 55.88 2dk9 n TRP 32 Cb 0.81 -0.09 -0.08 0.00 -2.42 0.00 0.00 31.31 29.53 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 2.10 -0.86 -0.31 6.99 0.00 0.11 -2.41 119.26 124.89 2dk9 h ALA 33 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2dk9 h ALA 33 Cb 0.90 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2dk9 h ALA 33 CO 0.05 -1.01 0.00 -0.40 0.00 0.00 0.00 179.25 177.89 2dk9 n ASP 34 N -5.49 1.81 -2.16 0.00 5.68 -1.26 -4.43 116.55 110.70 2dk9 n ASP 34 Ca -0.11 -1.93 -0.17 0.00 -0.50 0.00 0.00 54.79 52.08 2dk9 n ASP 34 Cb 0.38 -0.21 0.02 0.00 -1.14 0.00 0.00 41.12 40.17 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 1.07 -0.25 0.17 6.12 0.00 -0.91 -4.66 105.19 106.73 2dk9 n GLY 35 Ca 0.13 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.69 0.56 -0.21 0.99 -0.00 -1.83 -2.56 115.31 111.57 2dk9 h LEU 36 Ca -0.40 -0.42 -0.02 0.00 -0.00 0.00 0.00 57.88 57.04 2dk9 h LEU 36 Cb 1.28 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.76 2dk9 h LEU 36 CO 0.44 1.20 0.06 0.00 -0.00 0.00 0.00 178.44 180.14 2dk9 h ALA 37 N 0.77 0.27 -0.28 1.53 0.00 -1.91 0.50 119.26 120.14 2dk9 h ALA 37 Ca -0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2dk9 h ALA 37 Cb 1.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2dk9 h ALA 37 CO 0.15 -0.09 0.03 1.25 0.00 0.00 0.00 179.25 180.60 2dk9 h LEU 38 N 0.16 0.45 -0.62 0.00 5.85 -1.91 -2.50 115.31 116.74 2dk9 h LEU 38 Ca 0.07 -0.27 -0.12 0.00 0.84 0.00 0.00 57.88 58.40 2dk9 h LEU 38 Cb 0.26 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2dk9 h LEU 38 CO -0.00 0.61 -0.19 0.00 -0.34 0.00 0.00 178.44 178.52 2dk9 h ALA 40 N 1.00 1.41 0.03 0.00 0.00 0.12 0.24 119.26 122.05 2dk9 h ALA 40 Ca 0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2dk9 h ALA 40 Cb 0.73 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2dk9 h ALA 40 CO 0.06 0.48 -0.01 -0.07 0.00 0.00 0.00 179.25 179.70 2dk9 h LEU 41 N 1.17 -0.03 -0.03 0.00 4.07 -1.28 -2.35 115.31 116.86 2dk9 h LEU 41 Ca 0.39 -0.47 0.00 0.00 0.08 0.00 0.00 57.88 57.89 2dk9 h LEU 41 Cb 0.07 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 41.82 2dk9 h LEU 41 CO -0.13 0.46 0.02 0.58 -1.08 0.00 0.00 178.44 178.29 2dk9 h VAL 42 N -0.53 1.03 -0.87 1.22 2.07 -1.19 -2.46 116.25 115.52 2dk9 h VAL 42 Ca -0.00 -0.08 0.09 0.00 0.82 0.00 0.00 66.70 67.53 2dk9 h VAL 42 Cb 0.50 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 2dk9 h VAL 42 CO 0.01 0.02 0.57 0.22 0.02 0.00 0.00 177.57 178.41 2dk9 h TYR 43 N 0.02 0.94 -0.72 1.57 3.20 -0.61 0.11 116.97 121.49 2dk9 h TYR 43 Ca 0.01 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2dk9 h TYR 43 Cb 0.02 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 37.95 2dk9 h TYR 43 CO -0.07 0.45 0.31 -0.09 -1.64 0.00 0.00 178.16 177.13 2dk9 h ARG 44 N 0.89 1.05 -0.11 1.82 9.65 -1.03 0.85 114.38 127.50 2dk9 h ARG 44 Ca 0.40 -0.18 -0.22 0.00 -1.10 0.00 0.00 59.98 58.88 2dk9 h ARG 44 Cb 0.35 -0.18 0.01 0.00 -1.39 0.00 0.00 29.97 28.76 2dk9 h ARG 44 CO -0.16 0.85 -0.80 -0.07 2.80 0.00 0.00 179.97 182.59 2dk9 h LEU 45 N 1.02 0.79 -6.14 3.80 -0.00 -0.84 -3.38 115.31 110.56 2dk9 h LEU 45 Ca 0.24 -0.53 -0.57 0.00 -0.00 0.00 0.00 57.88 57.01 2dk9 h LEU 45 Cb 0.17 -0.24 -0.39 0.00 -0.00 0.00 0.00 40.66 40.20 2dk9 h LEU 45 CO -0.02 1.32 -0.98 0.00 -0.00 0.00 0.00 178.44 178.75 2dk9 n GLN 46 N -3.89 0.94 0.22 1.13 6.02 0.29 -4.94 117.38 117.14 2dk9 n GLN 46 Ca -0.07 -3.49 0.07 0.00 -0.01 0.00 0.00 57.00 53.51 2dk9 n GLN 46 Cb 0.75 -1.50 0.52 0.00 1.02 0.00 0.00 30.24 31.03 2dk9 n GLN 46 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2dk9 h PRO 47 N 4.38 0.00 -0.01 -1.09 0.13 0.54 -2.11 132.00 133.84 2dk9 h PRO 47 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2dk9 h PRO 47 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2dk9 h PRO 47 CO 0.51 0.24 0.00 0.41 -0.23 0.00 0.00 178.00 178.93 2dk9 n GLY 48 N -0.54 -0.48 1.03 1.56 0.00 -1.26 -3.66 105.19 101.84 2dk9 n GLY 48 Ca -0.02 -0.33 0.05 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.38 1.74 -4.01 0.99 4.77 -0.81 -5.08 117.00 114.23 2dk9 n LEU 49 Ca 0.21 -2.82 -0.12 0.00 -0.03 0.00 0.00 56.01 53.25 2dk9 n LEU 49 Cb 0.24 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2dk9 n LEU 49 CO 0.17 0.89 0.24 -0.76 -1.33 0.00 0.00 177.39 176.60 2dk9 s LEU 50 N -1.49 0.66 -0.44 2.23 1.02 -1.14 -5.02 118.68 114.50 2dk9 s LEU 50 Ca 0.34 -1.31 0.05 0.00 0.02 0.00 0.00 54.13 53.23 2dk9 s LEU 50 Cb 0.36 1.84 0.30 0.00 0.02 0.00 0.00 46.19 48.71 2dk9 s LEU 50 CO -0.11 -1.36 1.11 -0.62 0.02 0.00 0.00 176.35 175.38 2dk9 n GLU 51 N -0.53 0.78 -0.11 1.70 1.02 -1.26 -4.96 120.64 117.28 2dk9 n GLU 51 Ca -0.02 -1.63 0.05 0.00 -0.02 0.00 0.00 57.16 55.55 2dk9 n GLU 51 Cb 0.61 -0.96 0.38 0.00 -0.02 0.00 0.00 31.44 31.45 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 3.13 0.67 -0.82 3.49 0.13 -1.97 -2.25 132.00 134.38 2dk9 h PRO 52 Ca -0.15 -0.04 0.14 0.00 -0.87 0.00 0.00 66.00 65.08 2dk9 h PRO 52 Cb 1.11 -0.15 -0.06 0.00 0.13 0.00 0.00 31.00 32.03 2dk9 h PRO 52 CO 0.14 0.44 0.54 0.77 -0.23 0.00 0.00 178.00 179.66 2dk9 h SER 53 N 0.69 0.52 -0.00 1.44 0.02 -1.98 1.20 113.55 115.44 2dk9 h SER 53 Ca 0.25 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2dk9 h SER 53 Cb 0.12 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2dk9 h SER 53 CO -0.07 0.27 -0.00 -0.08 -1.14 0.00 0.00 176.83 175.80 2dk9 h GLU 54 N 0.55 0.01 -0.00 3.45 4.81 -1.84 -3.23 114.58 118.33 2dk9 h GLU 54 Ca 0.40 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2dk9 h GLU 54 Cb 0.77 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.16 2dk9 h GLU 54 CO -0.16 0.59 -0.07 1.28 -0.73 0.00 0.00 179.01 179.92 2dk9 n LEU 55 N -4.81 0.08 0.03 1.64 4.77 -0.90 -2.69 117.00 115.12 2dk9 n LEU 55 Ca -0.09 0.40 0.04 0.00 -0.03 0.00 0.00 56.01 56.34 2dk9 n LEU 55 Cb 0.29 -0.44 0.44 0.00 -2.33 0.00 0.00 43.42 41.38 2dk9 n LEU 55 CO 0.34 0.02 1.14 -0.61 -1.33 0.00 0.00 177.39 176.94 2dk9 h GLN 56 N 0.02 0.48 0.00 3.23 4.15 0.14 -3.23 115.11 119.90 2dk9 h GLN 56 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2dk9 h GLN 56 Cb 0.48 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.06 2dk9 h GLN 56 CO 0.00 0.33 -0.94 0.41 -1.93 0.00 0.00 178.83 176.70 2dk9 n GLY 57 N -1.44 0.00 0.36 2.39 0.00 -1.25 -4.70 105.19 100.55 2dk9 n GLY 57 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 0.55 0.00 0.99 4.07 -1.59 -3.45 115.31 115.88 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 0.36 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2dk9 h LEU 58 CO 0.00 0.33 0.00 0.61 -1.08 0.00 0.00 178.44 178.30 2dk9 n GLY 59 N -1.47 1.86 0.09 0.83 0.00 -1.22 -5.01 105.19 100.27 2dk9 n GLY 59 Ca 0.11 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.09 -0.82 4.61 0.00 -1.83 -2.51 119.26 118.62 2dk9 h ALA 60 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2dk9 h ALA 60 Cb 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2dk9 h ALA 60 CO 0.00 -0.11 0.54 1.25 0.00 0.00 0.00 179.25 180.93 2dk9 h LEU 61 N -0.96 0.92 -0.25 0.00 5.85 -1.91 0.77 115.31 119.74 2dk9 h LEU 61 Ca -0.01 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2dk9 h LEU 61 Cb 0.51 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2dk9 h LEU 61 CO 0.01 0.66 0.10 -0.08 -0.34 0.00 0.00 178.44 178.79 2dk9 h GLU 62 N 1.09 0.37 -0.48 1.25 4.81 -1.94 0.25 114.58 119.93 2dk9 h GLU 62 Ca 0.31 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 2dk9 h GLU 62 Cb -0.09 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 2dk9 h GLU 62 CO -0.08 0.42 0.14 0.00 -0.73 0.00 0.00 179.01 178.75 2dk9 h ALA 63 N 0.94 0.63 0.05 2.92 0.00 -1.11 0.30 119.26 122.98 2dk9 h ALA 63 Ca 0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2dk9 h ALA 63 Cb 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2dk9 h ALA 63 CO -0.01 0.29 -0.02 1.15 0.00 0.00 0.00 179.25 180.66 2dk9 h THR 64 N 0.64 1.19 -0.50 0.00 2.02 -0.74 0.17 112.91 115.68 2dk9 h THR 64 Ca 0.15 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.52 2dk9 h THR 64 Cb 0.29 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 2dk9 h THR 64 CO -0.00 0.20 0.18 0.00 0.37 0.00 0.00 175.52 176.26 2dk9 h ALA 65 N 0.52 0.65 -0.51 6.16 0.00 -0.48 0.14 119.26 125.75 2dk9 h ALA 65 Ca -0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2dk9 h ALA 65 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2dk9 h ALA 65 CO 0.01 0.29 -0.12 2.35 0.00 0.00 0.00 179.25 181.78 2dk9 h TRP 66 N 0.67 1.06 -0.24 0.00 7.01 -0.40 -2.32 115.95 121.73 2dk9 h TRP 66 Ca 0.16 -0.21 -0.16 0.00 2.11 0.00 0.00 58.89 60.79 2dk9 h TRP 66 Cb 0.24 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 2dk9 h TRP 66 CO 0.01 1.00 -0.49 0.00 -2.79 0.00 0.00 178.44 176.17 2dk9 h ALA 67 N 1.01 0.67 -0.48 2.65 0.00 -0.44 -2.32 119.26 120.36 2dk9 h ALA 67 Ca 0.13 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 2dk9 h ALA 67 Cb 0.66 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2dk9 h ALA 67 CO 0.05 0.68 0.11 1.25 0.00 0.00 0.00 179.25 181.33 2dk9 h LEU 68 N 0.53 0.73 -0.08 0.00 5.85 -0.59 0.51 115.31 122.26 2dk9 h LEU 68 Ca 0.02 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 2dk9 h LEU 68 Cb 1.05 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 2dk9 h LEU 68 CO 0.10 0.78 -0.02 0.11 -0.34 0.00 0.00 178.44 179.07 2dk9 h LYS 69 N 0.65 0.15 -0.46 1.25 1.57 -1.41 -2.28 116.57 116.03 2dk9 h LYS 69 Ca 0.15 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.74 2dk9 h LYS 69 Cb 0.34 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2dk9 h LYS 69 CO 0.00 0.48 -0.25 0.28 -0.57 0.00 0.00 179.45 179.39 2dk9 h VAL 70 N -0.19 1.27 -0.61 0.50 2.07 -1.40 -1.14 116.25 116.75 2dk9 h VAL 70 Ca 0.02 -1.41 0.06 0.00 0.82 0.00 0.00 66.70 66.19 2dk9 h VAL 70 Cb 0.42 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 2dk9 h VAL 70 CO 0.01 0.48 0.30 0.00 0.02 0.00 0.00 177.57 178.38 2dk9 h ALA 71 N 0.84 0.80 -0.29 1.67 0.00 0.02 1.04 119.26 123.34 2dk9 h ALA 71 Ca 0.10 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 2dk9 h ALA 71 Cb 0.83 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2dk9 h ALA 71 CO 0.07 -0.06 -0.42 1.49 0.00 0.00 0.00 179.25 180.34 2dk9 h GLU 72 N 0.56 0.70 -0.23 0.00 4.81 -1.31 0.46 114.58 119.58 2dk9 h GLU 72 Ca 0.28 -0.37 -0.17 0.00 -0.13 0.00 0.00 59.36 58.97 2dk9 h GLU 72 Cb 0.23 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2dk9 h GLU 72 CO -0.21 0.99 -0.51 -0.91 -0.73 0.00 0.00 179.01 177.64 2dk9 h ASN 73 N 0.57 0.84 0.19 1.04 2.35 -0.17 0.83 115.58 121.23 2dk9 h ASN 73 Ca 0.04 -0.56 -0.27 0.00 -0.55 0.00 0.00 56.30 54.97 2dk9 h ASN 73 Cb 0.96 -0.24 0.02 0.00 0.05 0.00 0.00 38.32 39.11 2dk9 h ASN 73 CO 0.09 1.25 -1.21 -0.33 -1.65 0.00 0.00 177.43 175.57 2dk9 h GLU 74 N 0.48 0.39 0.05 0.81 4.39 0.11 -3.38 114.58 117.43 2dk9 h GLU 74 Ca 0.00 -0.67 -0.33 0.00 0.34 0.00 0.00 59.36 58.69 2dk9 h GLU 74 Cb 1.12 0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 29.98 2dk9 h GLU 74 CO 0.11 1.32 -1.92 -0.11 -1.16 0.00 0.00 179.01 177.26 2dk9 n LEU 75 N -3.91 1.70 0.00 1.33 -0.00 0.16 -5.00 117.00 111.28 2dk9 n LEU 75 Ca -0.17 0.27 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 2dk9 n LEU 75 Cb 0.96 -0.43 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 2dk9 n LEU 75 CO 0.53 0.63 0.00 0.61 -0.00 0.00 0.00 177.39 179.15 2dk9 n GLY 76 N 1.80 1.01 3.52 -3.96 0.00 0.29 -5.00 105.19 102.84 2dk9 n GLY 76 Ca -0.26 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 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 4.27 0.07 -0.61 2.07 -1.20 -5.01 121.20 118.79 2dk9 s ILE 77 Ca 0.00 -0.21 -0.31 0.00 -1.41 0.00 0.00 60.65 58.73 2dk9 s ILE 77 Cb 0.00 -2.93 -0.06 0.00 0.13 0.00 0.00 42.46 39.60 2dk9 s ILE 77 CO 0.00 0.43 1.20 -0.89 -1.91 0.00 0.00 174.94 173.78 2dk9 s THR 78 N 0.78 4.00 0.31 4.00 2.01 -1.26 -4.09 115.64 121.39 2dk9 s THR 78 Ca 0.02 1.45 -0.28 0.00 0.31 0.00 0.00 61.69 63.19 2dk9 s THR 78 Cb -0.14 -3.93 -0.09 0.00 0.01 0.00 0.00 72.50 68.35 2dk9 s THR 78 CO 0.02 0.12 1.03 -2.16 -0.69 0.00 0.00 174.62 172.94 2dk9 s PRO 79 N 1.01 4.55 -0.09 4.92 0.04 -1.26 -4.97 135.00 139.20 2dk9 s PRO 79 Ca 0.59 1.58 0.13 0.00 0.04 0.00 0.00 61.00 63.34 2dk9 s PRO 79 Cb -0.30 -2.98 0.23 0.00 0.04 0.00 0.00 34.50 31.49 2dk9 s PRO 79 CO 0.29 0.20 1.12 0.28 0.04 0.00 0.00 177.00 178.93 2dk9 n VAL 80 N 0.82 1.30 -3.76 -0.36 0.31 -1.26 -5.05 118.33 110.33 2dk9 n VAL 80 Ca 0.01 -1.67 -0.12 0.00 -0.01 0.00 0.00 64.34 62.55 2dk9 n VAL 80 Cb 0.47 0.03 -0.08 0.00 -0.91 0.00 0.00 33.84 33.35 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 -1.97 0.07 0.12 2.52 0.11 -1.26 -4.93 120.40 115.06 2dk9 s VAL 81 Ca 0.24 -0.59 -0.01 0.00 -2.93 0.00 0.00 61.98 58.69 2dk9 s VAL 81 Cb 0.22 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 2dk9 s VAL 81 CO 0.00 -0.33 0.29 -0.94 -3.33 0.00 0.00 175.10 170.80 2dk9 s SER 82 N -1.74 6.39 0.19 3.54 1.04 -1.26 -5.01 113.70 116.84 2dk9 s SER 82 Ca -0.09 0.34 -0.12 0.00 0.48 0.00 0.00 55.95 56.56 2dk9 s SER 82 Cb -0.03 -1.99 0.10 0.00 0.10 0.00 0.00 66.02 64.21 2dk9 s SER 82 CO 0.00 0.08 1.84 0.00 0.98 0.00 0.00 173.24 176.15 2dk9 h ALA 83 N 2.64 0.80 -0.99 5.32 0.00 -1.93 -2.35 119.26 122.75 2dk9 h ALA 83 Ca -0.46 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.50 2dk9 h ALA 83 Cb 1.17 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 2dk9 h ALA 83 CO 0.72 0.25 0.62 0.37 0.00 0.00 0.00 179.25 181.22 2dk9 h GLN 84 N 0.85 0.97 -0.39 0.00 4.15 -1.95 0.20 115.11 118.95 2dk9 h GLN 84 Ca 0.23 -0.06 -0.11 0.00 0.77 0.00 0.00 58.65 59.48 2dk9 h GLN 84 Cb -0.06 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.40 2dk9 h GLN 84 CO -0.05 0.64 -0.19 0.00 -1.93 0.00 0.00 178.83 177.31 2dk9 h ALA 85 N 1.52 0.55 -0.11 3.38 0.00 -1.86 -2.10 119.26 120.64 2dk9 h ALA 85 Ca 0.48 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2dk9 h ALA 85 Cb 0.45 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2dk9 h ALA 85 CO -0.26 0.50 -0.03 0.28 0.00 0.00 0.00 179.25 179.74 2dk9 h VAL 86 N 0.62 1.30 -0.21 0.00 2.07 -0.82 -1.53 116.25 117.69 2dk9 h VAL 86 Ca 0.09 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2dk9 h VAL 86 Cb 0.74 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 2dk9 h VAL 86 CO 0.06 0.28 0.06 1.62 0.02 0.00 0.00 177.57 179.61 2dk9 h VAL 87 N -0.12 1.10 0.00 2.57 3.04 -0.67 -1.27 116.25 120.90 2dk9 h VAL 87 Ca 0.03 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 2dk9 h VAL 87 Cb 0.46 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 2dk9 h VAL 87 CO 0.01 0.11 -0.27 0.00 -1.01 0.00 0.00 177.57 176.41 2dk9 n ALA 88 N -2.50 2.65 -1.86 3.17 0.00 -0.79 -4.48 120.51 116.69 2dk9 n ALA 88 Ca 0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.13 2dk9 n ALA 88 Cb 0.13 -1.33 -0.04 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 0.69 2.37 0.00 0.00 -0.48 -4.84 105.19 104.30 2dk9 n GLY 89 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.28 6.61 -2.79 1.61 3.41 -1.19 -4.66 113.62 115.34 2dk9 n SER 90 Ca -0.17 -3.78 -0.09 0.00 -0.26 0.00 0.00 58.87 54.56 2dk9 n SER 90 Cb 0.58 -0.77 0.04 0.00 -0.26 0.00 0.00 64.21 63.80 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 -0.75 -2.65 -0.23 4.04 -0.08 -1.26 -5.01 116.55 110.62 2dk9 n ASP 91 Ca 0.54 -3.24 -0.07 0.00 -1.51 0.00 0.00 54.79 50.51 2dk9 n ASP 91 Cb 0.67 1.61 0.04 0.00 2.34 0.00 0.00 41.12 45.78 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 4.03 0.90 -0.64 -0.67 0.13 -1.89 -1.80 132.00 132.04 2dk9 h PRO 92 Ca -0.13 -0.12 0.02 0.00 -0.87 0.00 0.00 66.00 64.91 2dk9 h PRO 92 Cb 1.02 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.95 2dk9 h PRO 92 CO 0.33 0.70 0.43 1.25 -0.23 0.00 0.00 178.00 180.48 2dk9 h LEU 93 N 0.87 0.69 -0.07 1.56 5.85 -1.99 -1.15 115.31 121.06 2dk9 h LEU 93 Ca 0.22 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.76 2dk9 h LEU 93 Cb 0.08 -0.17 0.01 0.00 0.37 0.00 0.00 40.66 40.95 2dk9 h LEU 93 CO -0.03 0.49 -0.62 1.23 -0.34 0.00 0.00 178.44 179.16 2dk9 h GLY 94 N 0.81 0.60 0.99 3.75 0.00 -1.86 -2.06 103.07 105.30 2dk9 h GLY 94 Ca 0.25 -0.93 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 2dk9 h GLY 94 CO -0.06 0.82 0.32 1.41 0.00 0.00 0.00 176.54 179.03 2dk9 h LEU 95 N 0.14 0.77 -0.26 3.11 3.38 -0.99 -0.56 115.31 120.90 2dk9 h LEU 95 Ca -0.06 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2dk9 h LEU 95 Cb 1.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2dk9 h LEU 95 CO 0.13 0.66 -0.09 0.40 0.09 0.00 0.00 178.44 179.63 2dk9 h ILE 96 N 0.83 1.29 -0.51 1.22 2.04 -1.29 -0.23 117.51 120.87 2dk9 h ILE 96 Ca 0.21 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 64.96 2dk9 h ILE 96 Cb 0.06 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 2dk9 h ILE 96 CO -0.03 0.35 0.33 0.00 0.00 0.00 0.00 178.15 178.80 2dk9 h ALA 97 N 0.75 0.65 -0.37 1.87 0.00 -1.19 -2.07 119.26 118.89 2dk9 h ALA 97 Ca 0.06 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 2dk9 h ALA 97 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2dk9 h ALA 97 CO 0.03 0.06 -0.34 -0.92 0.00 0.00 0.00 179.25 178.09 2dk9 h TYR 98 N 0.66 0.99 -0.60 0.00 3.20 -1.07 -2.97 116.97 117.18 2dk9 h TYR 98 Ca 0.19 -0.27 0.05 0.00 3.14 0.00 0.00 58.73 61.84 2dk9 h TYR 98 Cb -0.05 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 2dk9 h TYR 98 CO -0.05 1.05 0.40 -0.07 -1.64 0.00 0.00 178.16 177.85 2dk9 h LEU 99 N 0.70 0.55 -0.58 2.82 4.07 -0.65 -1.86 115.31 120.35 2dk9 h LEU 99 Ca 0.07 -0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.03 2dk9 h LEU 99 Cb 0.89 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.48 2dk9 h LEU 99 CO 0.08 0.37 0.38 0.28 -1.08 0.00 0.00 178.44 178.47 2dk9 h SER 100 N 0.63 0.67 -0.37 -0.43 0.02 -1.22 0.16 113.55 113.01 2dk9 h SER 100 Ca 0.25 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.15 2dk9 h SER 100 Cb 0.19 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2dk9 h SER 100 CO -0.07 0.49 0.10 0.45 -1.14 0.00 0.00 176.83 176.65 2dk9 h HIS 101 N 0.79 0.61 -0.69 3.45 3.86 -1.40 -0.17 115.15 121.59 2dk9 h HIS 101 Ca 0.21 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 2dk9 h HIS 101 Cb -0.09 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.18 2dk9 h HIS 101 CO -0.03 0.59 0.19 0.74 0.86 0.00 0.00 177.93 180.29 2dk9 h PHE 102 N 0.44 1.14 -0.26 2.45 0.04 -1.14 -1.67 116.94 117.94 2dk9 h PHE 102 Ca 0.12 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 2dk9 h PHE 102 Cb 0.29 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 2dk9 h PHE 102 CO 0.01 0.92 0.01 1.25 -0.60 0.00 0.00 178.31 179.91 2dk9 h HIS 103 N 1.03 0.48 -0.62 -0.55 2.76 -0.53 0.24 115.15 117.97 2dk9 h HIS 103 Ca 0.22 -0.08 0.01 0.00 -2.20 0.00 0.00 60.37 58.32 2dk9 h HIS 103 Cb 0.33 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 2dk9 h HIS 103 CO 0.03 0.59 0.40 1.03 -1.30 0.00 0.00 177.93 178.68 2dk9 h SER 104 N 0.23 0.68 -0.16 3.26 0.87 -0.89 0.77 113.55 118.32 2dk9 h SER 104 Ca 0.07 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.51 2dk9 h SER 104 Cb 0.39 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2dk9 h SER 104 CO 0.01 0.49 -0.33 0.00 -0.53 0.00 0.00 176.83 176.48 2dk9 h ALA 105 N 1.24 0.25 0.00 6.23 0.00 -1.22 -3.15 119.26 122.61 2dk9 h ALA 105 Ca 0.23 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2dk9 h ALA 105 Cb -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2dk9 h ALA 105 CO -0.07 0.29 -0.36 0.74 0.00 0.00 0.00 179.25 179.86 2dk9 h PHE 106 N 0.12 0.00 -0.99 0.00 -1.00 -0.31 -2.99 116.94 111.78 2dk9 h PHE 106 Ca 0.00 0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.85 2dk9 h PHE 106 Cb 0.92 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.42 2dk9 h PHE 106 CO 0.10 0.36 0.64 -0.22 -1.61 0.00 0.00 178.31 177.58 2dk9 h LYS 107 N 0.00 1.13 -0.10 1.51 3.11 0.62 -0.77 116.57 122.07 2dk9 h LYS 107 Ca -0.00 -0.07 -0.02 0.00 -2.81 0.00 0.00 60.65 57.75 2dk9 h LYS 107 Cb 0.74 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 31.71 2dk9 h LYS 107 CO 0.05 0.75 -0.01 1.03 -2.81 0.00 0.00 179.45 178.46 2dk9 h SER 108 N 1.17 0.12 -0.01 4.20 0.87 -1.57 -3.51 113.55 114.81 2dk9 h SER 108 Ca 0.42 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 2dk9 h SER 108 Cb 0.16 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2dk9 h SER 108 CO -0.17 0.16 0.00 0.80 -0.53 0.00 0.00 176.83 177.10