#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 4.25 2.86 3.03 0.00 -1.26 -4.98 105.19 109.10 2dk9 n GLY -7 Ca 0.00 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.60 2.01 -3.91 1.61 -0.00 -1.26 -4.83 115.22 107.24 2dk9 n HIS -6 Ca 0.00 -2.10 -0.35 0.00 -0.00 0.00 0.00 57.72 55.28 2dk9 n HIS -6 Cb 0.00 -1.87 -0.14 0.00 -0.00 0.00 0.00 29.99 27.99 2dk9 n HIS -6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2dk9 s HIS -5 N 4.13 3.30 0.53 4.41 0.09 -1.26 -5.03 115.29 121.47 2dk9 s HIS -5 Ca 0.52 -1.96 0.00 0.00 -0.00 0.00 0.00 55.06 53.62 2dk9 s HIS -5 Cb 0.13 -2.22 0.00 0.00 -0.00 0.00 0.00 32.58 30.50 2dk9 s HIS -5 CO 0.03 -0.82 0.00 0.72 -0.00 0.00 0.00 174.74 174.67 2dk9 n HIS -4 N 4.60 -3.75 -3.87 1.40 -0.00 -1.26 -5.02 115.22 107.32 2dk9 n HIS -4 Ca -0.12 2.01 0.00 0.00 -0.00 0.00 0.00 57.72 59.61 2dk9 n HIS -4 Cb 0.43 -3.41 0.00 0.00 -0.00 0.00 0.00 29.99 27.01 2dk9 n HIS -4 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2dk9 n HIS -3 N -4.30 -0.13 -2.01 4.41 -0.00 -1.26 -5.09 115.22 106.83 2dk9 n HIS -3 Ca -0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.24 2dk9 n HIS -3 Cb 0.67 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.63 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 -0.75 3.12 -0.35 1.57 5.65 -1.26 -4.91 115.29 118.36 2dk9 s HIS -2 Ca 0.00 0.74 -0.28 0.00 0.25 0.00 0.00 55.06 55.77 2dk9 s HIS -2 Cb 0.00 -3.85 -0.02 0.00 -1.18 0.00 0.00 32.58 27.53 2dk9 s HIS -2 CO 0.00 -3.08 1.85 -1.01 -0.65 0.00 0.00 174.74 171.86 2dk9 s HIS -1 N 1.11 1.73 -0.16 3.88 0.09 -1.26 -4.94 115.29 115.73 2dk9 s HIS -1 Ca 0.68 0.66 -0.05 0.00 -0.00 0.00 0.00 55.06 56.35 2dk9 s HIS -1 Cb -0.41 -4.09 0.08 0.00 -0.00 0.00 0.00 32.58 28.15 2dk9 s HIS -1 CO 0.31 -2.95 0.32 1.41 -0.00 0.00 0.00 174.74 173.82 2dk9 s MET 0 N 5.92 0.21 0.08 1.40 -2.45 -1.26 -5.03 119.30 118.17 2dk9 s MET 0 Ca 0.80 0.80 0.00 0.00 -1.25 0.00 0.00 55.69 56.04 2dk9 s MET 0 Cb -0.22 -0.00 0.00 0.00 1.25 0.00 0.00 34.83 35.86 2dk9 s MET 0 CO 0.32 -0.31 0.00 0.41 1.05 0.00 0.00 175.02 176.49 2dk9 n GLY 1 N 5.36 -1.87 0.27 2.11 0.00 -1.26 -4.87 105.19 104.93 2dk9 n GLY 1 Ca -0.07 0.50 -0.07 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.45 1.61 0.87 -2.00 -0.09 113.55 114.31 2dk9 h SER 2 Ca 0.00 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2dk9 h SER 2 Cb 0.00 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.75 2dk9 h SER 2 CO 0.00 0.72 0.00 0.00 -0.53 0.00 0.00 176.83 177.02 2dk9 n ALA 3 N -2.35 3.27 0.00 6.23 0.00 -1.26 -3.51 120.51 122.89 2dk9 n ALA 3 Ca 0.04 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.18 2dk9 n ALA 3 Cb 0.12 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 0.67 0.00 0.08 0.00 0.00 -0.83 -4.66 105.19 100.46 2dk9 n GLY 4 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 2dk9 n GLY 4 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2dk9 h THR 5 N 0.00 1.06 -0.21 2.61 1.35 -1.20 -3.34 112.91 113.19 2dk9 h THR 5 Ca 0.00 -2.85 -0.04 0.00 -0.55 0.00 0.00 66.41 62.96 2dk9 h THR 5 Cb 0.95 2.56 -0.01 0.00 -1.73 0.00 0.00 68.15 69.92 2dk9 h THR 5 CO 0.00 0.66 -0.06 -0.61 -0.25 0.00 0.00 175.52 175.27 2dk9 h GLN 6 N 0.01 0.32 -0.26 4.72 5.75 -1.75 -2.61 115.11 121.29 2dk9 h GLN 6 Ca -0.23 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.20 2dk9 h GLN 6 Cb 1.96 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 30.45 2dk9 h GLN 6 CO 0.10 0.40 0.12 1.49 -2.65 0.00 0.00 178.83 178.28 2dk9 h GLU 7 N 0.31 0.38 -0.11 1.69 4.81 -1.83 -1.93 114.58 117.91 2dk9 h GLU 7 Ca 0.07 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2dk9 h GLU 7 Cb 0.30 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2dk9 h GLU 7 CO 0.01 0.40 -0.22 1.05 -0.73 0.00 0.00 179.01 179.51 2dk9 h GLU 8 N 0.28 0.18 -0.25 1.92 4.11 -1.66 -2.46 114.58 116.70 2dk9 h GLU 8 Ca 0.09 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 59.43 2dk9 h GLU 8 Cb 0.15 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2dk9 h GLU 8 CO -0.01 0.40 0.01 1.25 0.07 0.00 0.00 179.01 180.73 2dk9 h LEU 9 N 0.17 0.43 -1.27 3.06 5.85 -1.11 -2.50 115.31 119.93 2dk9 h LEU 9 Ca 0.03 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 2dk9 h LEU 9 Cb 0.49 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2dk9 h LEU 9 CO 0.03 0.62 0.09 0.25 -0.34 0.00 0.00 178.44 179.10 2dk9 h LEU 10 N 0.22 0.54 -0.66 2.25 5.85 -1.15 -2.20 115.31 120.16 2dk9 h LEU 10 Ca 0.07 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 2dk9 h LEU 10 Cb 0.40 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2dk9 h LEU 10 CO 0.01 0.55 0.21 0.03 -0.34 0.00 0.00 178.44 178.90 2dk9 h ARG 11 N 0.58 1.03 -0.36 1.25 2.47 -1.25 -1.95 114.38 116.14 2dk9 h ARG 11 Ca 0.13 -0.22 -0.11 0.00 -1.26 0.00 0.00 59.98 58.53 2dk9 h ARG 11 Cb 0.23 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 2dk9 h ARG 11 CO -0.00 0.89 -0.22 2.35 0.56 0.00 0.00 179.97 183.55 2dk9 h TRP 12 N 0.96 0.80 -0.31 3.04 7.01 -1.02 -1.65 115.95 124.79 2dk9 h TRP 12 Ca 0.21 -0.18 -0.04 0.00 2.11 0.00 0.00 58.89 61.00 2dk9 h TRP 12 Cb 0.29 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 2dk9 h TRP 12 CO 0.02 0.87 0.05 0.00 -2.79 0.00 0.00 178.44 176.59 2dk9 h GLN 14 N 0.33 0.68 -0.27 0.00 3.07 -1.29 -0.80 115.11 116.83 2dk9 h GLN 14 Ca 0.09 -0.25 -0.05 0.00 0.09 0.00 0.00 58.65 58.54 2dk9 h GLN 14 Cb 0.34 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 27.84 2dk9 h GLN 14 CO 0.01 0.83 -0.01 1.49 0.09 0.00 0.00 178.83 181.24 2dk9 h GLU 15 N 0.61 0.49 -0.03 0.06 4.81 -1.15 0.72 114.58 120.08 2dk9 h GLU 15 Ca 0.09 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 2dk9 h GLU 15 Cb 0.66 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2dk9 h GLU 15 CO 0.05 0.65 -0.46 1.96 -0.73 0.00 0.00 179.01 180.48 2dk9 h GLN 16 N 0.27 0.07 -0.41 1.92 7.50 -1.10 -2.60 115.11 120.76 2dk9 h GLN 16 Ca 0.08 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.19 2dk9 h GLN 16 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.97 2dk9 h GLN 16 CO 0.02 0.52 0.00 2.41 -1.50 0.00 0.00 178.83 180.27 2dk9 n THR 17 N -3.99 0.54 -2.84 -0.54 -1.04 -0.32 -4.64 114.28 101.46 2dk9 n THR 17 Ca -0.02 -0.63 -0.41 0.00 -2.04 0.00 0.00 64.05 60.96 2dk9 n THR 17 Cb 0.49 0.49 -0.04 0.00 -1.82 0.00 0.00 70.33 69.46 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 -1.46 3.26 0.00 2.41 0.00 0.23 -4.14 121.76 122.05 2dk9 s ALA 18 Ca 0.35 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2dk9 s ALA 18 Cb 0.19 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2dk9 s ALA 18 CO 0.26 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.21 2dk9 n GLY 19 N 3.02 1.30 3.65 0.00 0.00 -1.26 -5.01 105.19 106.88 2dk9 n GLY 19 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.02 3.34 -0.50 1.61 1.51 -1.26 -4.99 117.35 117.04 2dk9 s TYR 20 Ca 0.00 1.07 -0.27 0.00 -1.01 0.00 0.00 57.07 56.86 2dk9 s TYR 20 Cb 0.00 -2.96 -0.04 0.00 -0.11 0.00 0.00 41.96 38.84 2dk9 s TYR 20 CO 0.00 -0.32 2.11 -2.14 -1.11 0.00 0.00 175.55 174.10 2dk9 s PRO 21 N 2.48 2.51 0.00 -1.71 0.02 -1.26 -2.31 135.00 134.74 2dk9 s PRO 21 Ca 0.33 1.14 0.00 0.00 0.02 0.00 0.00 61.00 62.49 2dk9 s PRO 21 Cb -0.16 -4.45 0.00 0.00 0.02 0.00 0.00 34.50 29.91 2dk9 s PRO 21 CO 0.09 -2.83 0.00 0.41 -0.33 0.00 0.00 177.00 174.34 2dk9 n GLY 22 N 5.80 1.87 3.34 0.52 0.00 -1.26 -5.12 105.19 110.35 2dk9 n GLY 22 Ca 0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 3.52 -0.71 1.61 0.11 -0.98 -5.03 120.40 116.92 2dk9 s VAL 23 Ca 0.00 -0.44 0.04 0.00 -2.93 0.00 0.00 61.98 58.65 2dk9 s VAL 23 Cb 0.00 -2.61 0.23 0.00 -1.53 0.00 0.00 36.38 32.47 2dk9 s VAL 23 CO 0.00 0.41 0.74 1.41 -3.33 0.00 0.00 175.10 174.33 2dk9 n HIS 24 N 4.77 3.51 -2.19 1.54 8.25 -1.26 -4.99 115.22 124.85 2dk9 n HIS 24 Ca -0.18 -4.08 -0.34 0.00 -0.26 0.00 0.00 57.72 52.86 2dk9 n HIS 24 Cb 0.51 -0.68 -0.04 0.00 1.12 0.00 0.00 29.99 30.90 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 -2.16 3.53 0.00 1.59 1.01 -1.26 -4.51 120.40 118.60 2dk9 s VAL 25 Ca 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2dk9 s VAL 25 Cb 0.07 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.19 2dk9 s VAL 25 CO -0.05 -1.20 0.72 -0.24 0.00 0.00 0.00 175.10 174.32 2dk9 n SER 26 N 12.27 -0.00 -3.92 3.32 2.88 -1.26 -4.59 113.62 122.31 2dk9 n SER 26 Ca 0.29 -1.44 -0.13 0.00 -1.33 0.00 0.00 58.87 56.26 2dk9 n SER 26 Cb 0.49 -0.09 -0.14 0.00 -0.75 0.00 0.00 64.21 63.73 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 -0.44 0.28 -0.44 -3.46 1.01 -1.26 -5.04 116.67 107.33 2dk9 s ASP 27 Ca 0.00 -0.12 -0.00 0.00 0.71 0.00 0.00 52.55 53.14 2dk9 s ASP 27 Cb 0.00 -0.01 0.38 0.00 1.01 0.00 0.00 42.92 44.30 2dk9 s ASP 27 CO -0.00 -0.02 1.92 0.18 0.21 0.00 0.00 175.17 177.45 2dk9 n LEU 28 N 2.79 6.65 0.02 1.23 4.77 -1.26 -3.90 117.00 127.30 2dk9 n LEU 28 Ca -0.14 -3.54 0.00 0.00 -0.03 0.00 0.00 56.01 52.29 2dk9 n LEU 28 Cb 0.59 -0.93 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2dk9 n LEU 28 CO 0.25 1.20 0.00 -0.24 -1.33 0.00 0.00 177.39 177.27 2dk9 n SER 29 N -0.40 -0.41 -0.18 -1.43 2.88 -1.26 -4.88 113.62 107.94 2dk9 n SER 29 Ca 0.45 0.11 -0.00 0.00 -1.33 0.00 0.00 58.87 58.09 2dk9 n SER 29 Cb 0.85 0.71 0.24 0.00 -0.75 0.00 0.00 64.21 65.26 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 0.82 -0.33 -3.46 0.02 -1.84 -1.81 113.55 106.94 2dk9 h SER 30 Ca 0.00 -0.06 0.10 0.00 -0.84 0.00 0.00 61.79 60.99 2dk9 h SER 30 Cb 0.00 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 2dk9 h SER 30 CO 0.00 0.65 0.32 0.28 -1.14 0.00 0.00 176.83 176.94 2dk9 h SER 31 N 0.93 0.00 -0.52 3.07 0.02 -1.90 0.29 113.55 115.43 2dk9 h SER 31 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2dk9 h SER 31 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2dk9 h SER 31 CO -0.04 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.44 2dk9 n TRP 32 N -3.92 0.69 0.27 3.45 7.02 -0.70 -3.82 117.44 120.43 2dk9 n TRP 32 Ca 0.05 -0.44 -0.17 0.00 -1.02 0.00 0.00 57.50 55.92 2dk9 n TRP 32 Cb 0.48 -0.01 -0.09 0.00 -2.42 0.00 0.00 31.31 29.27 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 3.49 -1.01 0.00 6.99 0.00 -0.21 -1.91 119.26 126.62 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 0.88 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2dk9 h ALA 33 CO 0.00 -1.11 0.00 -0.40 0.00 0.00 0.00 179.25 177.74 2dk9 n ASP 34 N -5.53 0.00 -0.32 0.00 5.68 -1.26 -4.53 116.55 110.58 2dk9 n ASP 34 Ca -0.11 -0.48 -0.03 0.00 -0.50 0.00 0.00 54.79 53.67 2dk9 n ASP 34 Cb 0.43 -0.17 -0.01 0.00 -1.14 0.00 0.00 41.12 40.24 2dk9 n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dk9 n GLY 35 N 1.10 0.39 0.17 6.12 0.00 -0.72 -4.53 105.19 107.73 2dk9 n GLY 35 Ca 0.18 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 0.59 -0.22 0.99 3.38 -1.81 -2.03 115.31 116.21 2dk9 h LEU 36 Ca -0.07 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 2dk9 h LEU 36 Cb 0.72 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2dk9 h LEU 36 CO 0.09 1.23 0.07 0.00 0.09 0.00 0.00 178.44 179.92 2dk9 h ALA 37 N 0.74 0.29 -0.19 1.53 0.00 -1.90 0.59 119.26 120.32 2dk9 h ALA 37 Ca -0.07 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2dk9 h ALA 37 Cb 1.50 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 2dk9 h ALA 37 CO 0.16 -0.09 -0.09 1.25 0.00 0.00 0.00 179.25 180.47 2dk9 h LEU 38 N 0.19 0.40 -0.80 0.00 5.85 -1.91 -2.57 115.31 116.47 2dk9 h LEU 38 Ca 0.07 -0.42 -0.09 0.00 0.84 0.00 0.00 57.88 58.28 2dk9 h LEU 38 Cb 0.22 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2dk9 h LEU 38 CO -0.00 0.73 -0.08 0.00 -0.34 0.00 0.00 178.44 178.75 2dk9 h ALA 40 N 1.16 0.68 0.21 0.00 0.00 0.24 0.30 119.26 121.86 2dk9 h ALA 40 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2dk9 h ALA 40 Cb 0.57 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2dk9 h ALA 40 CO 0.03 0.09 -0.10 -0.07 0.00 0.00 0.00 179.25 179.21 2dk9 h LEU 41 N 0.70 -0.23 -0.75 0.00 3.38 -1.30 -1.20 115.31 115.92 2dk9 h LEU 41 Ca 0.20 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2dk9 h LEU 41 Cb -0.05 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2dk9 h LEU 41 CO -0.06 -0.04 0.49 0.58 0.09 0.00 0.00 178.44 179.51 2dk9 h VAL 42 N -0.42 1.18 -0.79 1.22 2.07 -1.29 -2.03 116.25 116.19 2dk9 h VAL 42 Ca -0.03 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.15 2dk9 h VAL 42 Cb 0.32 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 2dk9 h VAL 42 CO 0.05 0.18 0.52 0.22 0.02 0.00 0.00 177.57 178.56 2dk9 h TYR 43 N 1.00 0.99 -0.70 1.57 3.20 -0.27 0.20 116.97 122.96 2dk9 h TYR 43 Ca 0.28 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 2dk9 h TYR 43 Cb -0.11 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 37.80 2dk9 h TYR 43 CO -0.02 0.63 0.31 -0.09 -1.64 0.00 0.00 178.16 177.34 2dk9 h ARG 44 N 1.07 1.04 -0.00 1.82 1.12 -0.51 0.70 114.38 119.62 2dk9 h ARG 44 Ca 0.29 -0.17 -0.17 0.00 -1.11 0.00 0.00 59.98 58.82 2dk9 h ARG 44 Cb -0.12 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 29.64 2dk9 h ARG 44 CO -0.06 0.84 -0.79 -0.07 -3.11 0.00 0.00 179.97 176.78 2dk9 h LEU 45 N 1.00 0.04 -5.85 3.80 -0.00 -0.97 -3.40 115.31 109.93 2dk9 h LEU 45 Ca 0.24 -0.03 -0.36 0.00 -0.00 0.00 0.00 57.88 57.73 2dk9 h LEU 45 Cb 0.17 -0.01 -0.28 0.00 -0.00 0.00 0.00 40.66 40.54 2dk9 h LEU 45 CO -0.02 0.81 -0.72 -1.10 -0.00 0.00 0.00 178.44 177.41 2dk9 s GLN 46 N -3.24 0.91 0.42 1.13 1.11 0.65 -4.99 119.66 115.65 2dk9 s GLN 46 Ca -0.01 -1.39 0.21 0.00 0.01 0.00 0.00 55.36 54.18 2dk9 s GLN 46 Cb 0.11 -0.70 0.92 0.00 -1.01 0.00 0.00 33.01 32.33 2dk9 s GLN 46 CO 0.79 -1.32 1.85 -1.00 0.01 0.00 0.00 175.29 175.62 2dk9 h PRO 47 N 5.76 0.00 0.03 2.91 0.13 0.19 -3.03 132.00 137.99 2dk9 h PRO 47 Ca 0.14 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.05 2dk9 h PRO 47 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 2dk9 h PRO 47 CO 0.19 0.28 -0.98 0.78 -0.23 0.00 0.00 178.00 178.04 2dk9 h GLY 48 N 1.60 0.29 -3.81 1.56 0.00 -1.94 -3.24 103.07 97.53 2dk9 h GLY 48 Ca -0.00 -0.56 -0.38 0.00 0.00 0.00 0.00 47.33 46.39 2dk9 h GLY 48 CO 0.04 0.50 0.48 1.04 0.00 0.00 0.00 176.54 178.59 2dk9 n LEU 49 N -3.64 6.34 -4.08 3.11 4.77 -1.16 -4.94 117.00 117.41 2dk9 n LEU 49 Ca -0.05 -3.35 -0.09 0.00 -0.03 0.00 0.00 56.01 52.48 2dk9 n LEU 49 Cb 0.87 -0.79 -0.09 0.00 -2.33 0.00 0.00 43.42 41.08 2dk9 n LEU 49 CO 0.50 0.93 -0.23 -0.76 -1.33 0.00 0.00 177.39 176.50 2dk9 s LEU 50 N -3.04 1.65 -0.45 2.23 2.01 -1.16 -5.03 118.68 114.90 2dk9 s LEU 50 Ca 0.54 -1.08 0.07 0.00 0.01 0.00 0.00 54.13 53.67 2dk9 s LEU 50 Cb 0.45 0.53 0.29 0.00 0.01 0.00 0.00 46.19 47.46 2dk9 s LEU 50 CO 0.12 -0.75 0.92 -0.62 1.01 0.00 0.00 176.35 177.02 2dk9 n GLU 51 N -0.10 0.90 -0.15 1.70 -0.58 -1.26 -4.93 120.64 116.22 2dk9 n GLU 51 Ca -0.07 -2.23 -0.05 0.00 -0.42 0.00 0.00 57.16 54.39 2dk9 n GLU 51 Cb 0.63 -1.30 0.04 0.00 -0.57 0.00 0.00 31.44 30.24 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 3.45 0.44 -0.54 3.49 0.13 -1.96 -1.86 132.00 135.15 2dk9 h PRO 52 Ca -0.07 -0.03 0.14 0.00 -0.87 0.00 0.00 66.00 65.18 2dk9 h PRO 52 Cb 1.03 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 2dk9 h PRO 52 CO 0.29 0.29 0.38 0.66 -0.23 0.00 0.00 178.00 179.39 2dk9 h SER 53 N 0.45 0.09 0.00 1.44 4.64 -1.98 1.08 113.55 119.27 2dk9 h SER 53 Ca 0.20 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2dk9 h SER 53 Cb 0.12 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2dk9 h SER 53 CO -0.15 0.05 -0.00 -0.08 -0.87 0.00 0.00 176.83 175.78 2dk9 h GLU 54 N 0.09 -0.00 -0.00 4.77 4.81 -1.76 -3.25 114.58 119.24 2dk9 h GLU 54 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2dk9 h GLU 54 Cb 0.90 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2dk9 h GLU 54 CO -0.02 0.57 -0.20 1.28 -0.73 0.00 0.00 179.01 179.90 2dk9 n LEU 55 N -4.81 0.22 -0.09 1.64 4.77 -0.82 -2.84 117.00 115.07 2dk9 n LEU 55 Ca -0.09 0.28 0.02 0.00 -0.03 0.00 0.00 56.01 56.19 2dk9 n LEU 55 Cb 0.29 -0.38 0.34 0.00 -2.33 0.00 0.00 43.42 41.34 2dk9 n LEU 55 CO 0.34 0.05 1.18 -0.61 -1.33 0.00 0.00 177.39 177.01 2dk9 h GLN 56 N 0.03 0.72 0.00 3.23 -0.00 0.12 -3.26 115.11 115.94 2dk9 h GLN 56 Ca 0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.58 2dk9 h GLN 56 Cb 0.49 -0.16 -0.00 0.00 0.00 0.00 0.00 27.48 27.81 2dk9 h GLN 56 CO 0.00 0.50 -1.09 0.41 0.00 0.00 0.00 178.83 178.64 2dk9 n GLY 57 N -1.40 -0.08 0.39 2.39 0.00 -1.25 -4.67 105.19 100.56 2dk9 n GLY 57 Ca 0.05 -0.03 0.17 0.00 0.00 0.00 0.00 46.02 46.20 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 0.45 0.00 0.99 4.07 -1.61 -3.45 115.31 115.76 2dk9 h LEU 58 Ca -0.02 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.98 2dk9 h LEU 58 Cb 0.60 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.29 2dk9 h LEU 58 CO 0.00 0.20 0.00 0.61 -1.08 0.00 0.00 178.44 178.17 2dk9 n GLY 59 N -1.50 2.73 0.08 0.83 0.00 -1.23 -4.98 105.19 101.11 2dk9 n GLY 59 Ca 0.18 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.07 -0.97 4.61 0.00 -1.80 -1.94 119.26 119.09 2dk9 h ALA 60 Ca 0.00 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.71 2dk9 h ALA 60 Cb 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2dk9 h ALA 60 CO 0.00 -0.08 0.63 -0.07 0.00 0.00 0.00 179.25 179.73 2dk9 h LEU 61 N -0.97 1.05 -0.63 0.00 3.38 -1.90 -0.25 115.31 115.98 2dk9 h LEU 61 Ca -0.01 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 2dk9 h LEU 61 Cb 0.49 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2dk9 h LEU 61 CO 0.01 0.72 -0.48 -0.08 0.09 0.00 0.00 178.44 178.69 2dk9 h GLU 62 N 1.22 0.50 -0.35 1.13 4.81 -1.94 -2.17 114.58 117.77 2dk9 h GLU 62 Ca 0.39 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 2dk9 h GLU 62 Cb 0.01 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2dk9 h GLU 62 CO -0.13 0.87 -0.06 0.00 -0.73 0.00 0.00 179.01 178.97 2dk9 h ALA 63 N 1.08 0.48 0.05 2.92 0.00 -0.51 -1.17 119.26 122.11 2dk9 h ALA 63 Ca 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2dk9 h ALA 63 Cb 0.99 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2dk9 h ALA 63 CO 0.09 0.30 -0.02 1.15 0.00 0.00 0.00 179.25 180.77 2dk9 h THR 64 N 0.46 1.14 -0.69 0.00 2.02 -1.04 0.46 112.91 115.25 2dk9 h THR 64 Ca 0.09 -0.60 0.03 0.00 0.77 0.00 0.00 66.41 66.70 2dk9 h THR 64 Cb 0.55 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 2dk9 h THR 64 CO 0.03 0.15 0.43 0.00 0.37 0.00 0.00 175.52 176.50 2dk9 h ALA 65 N 0.62 0.89 -0.29 6.16 0.00 -1.41 0.11 119.26 125.33 2dk9 h ALA 65 Ca -0.01 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2dk9 h ALA 65 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2dk9 h ALA 65 CO 0.01 0.20 -0.03 2.35 0.00 0.00 0.00 179.25 181.78 2dk9 h TRP 66 N 0.84 0.60 -0.74 0.00 7.01 -1.15 -2.26 115.95 120.25 2dk9 h TRP 66 Ca 0.27 -0.12 -0.05 0.00 2.11 0.00 0.00 58.89 61.10 2dk9 h TRP 66 Cb 0.01 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 26.89 2dk9 h TRP 66 CO -0.04 0.70 0.25 0.00 -2.79 0.00 0.00 178.44 176.56 2dk9 h ALA 67 N 0.81 1.04 -0.45 2.65 0.00 -0.57 -0.62 119.26 122.11 2dk9 h ALA 67 Ca 0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2dk9 h ALA 67 Cb 0.49 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2dk9 h ALA 67 CO 0.02 0.66 0.14 -0.07 0.00 0.00 0.00 179.25 180.00 2dk9 h LEU 68 N 1.10 0.65 -0.07 0.00 3.38 -0.72 0.51 115.31 120.16 2dk9 h LEU 68 Ca 0.24 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2dk9 h LEU 68 Cb 0.27 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2dk9 h LEU 68 CO -0.01 0.69 -0.04 0.11 0.09 0.00 0.00 178.44 179.27 2dk9 h LYS 69 N 0.59 0.16 -0.45 1.13 1.57 -1.23 -2.56 116.57 115.77 2dk9 h LYS 69 Ca 0.14 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 2dk9 h LYS 69 Cb 0.27 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2dk9 h LYS 69 CO -0.00 0.54 -0.21 -0.39 -0.57 0.00 0.00 179.45 178.82 2dk9 h VAL 70 N -0.23 1.27 -0.51 0.50 -1.51 -1.10 -0.93 116.25 113.74 2dk9 h VAL 70 Ca 0.02 -1.36 0.06 0.00 -1.23 0.00 0.00 66.70 64.18 2dk9 h VAL 70 Cb 0.50 1.18 -0.05 0.00 -2.13 0.00 0.00 31.29 30.79 2dk9 h VAL 70 CO 0.01 0.47 0.22 0.00 -1.23 0.00 0.00 177.57 177.04 2dk9 h ALA 71 N 0.85 0.65 -0.29 5.19 0.00 0.00 0.89 119.26 126.55 2dk9 h ALA 71 Ca 0.10 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 2dk9 h ALA 71 Cb 0.78 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2dk9 h ALA 71 CO 0.06 -0.16 -0.42 1.49 0.00 0.00 0.00 179.25 180.23 2dk9 h GLU 72 N 0.43 0.70 -0.36 0.00 4.22 -1.38 0.39 114.58 118.59 2dk9 h GLU 72 Ca 0.24 -0.37 -0.14 0.00 0.08 0.00 0.00 59.36 59.17 2dk9 h GLU 72 Cb 0.21 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2dk9 h GLU 72 CO -0.21 0.99 -0.31 -0.91 -2.18 0.00 0.00 179.01 176.39 2dk9 h ASN 73 N 0.57 0.89 0.19 1.04 -0.26 -0.25 0.69 115.58 118.45 2dk9 h ASN 73 Ca 0.04 -0.46 -0.27 0.00 -0.56 0.00 0.00 56.30 55.06 2dk9 h ASN 73 Cb 0.96 -0.25 0.02 0.00 -1.06 0.00 0.00 38.32 38.00 2dk9 h ASN 73 CO 0.09 1.16 -1.23 -0.33 -1.06 0.00 0.00 177.43 176.07 2dk9 h GLU 74 N 0.64 0.40 0.00 0.81 3.07 0.81 -3.41 114.58 116.89 2dk9 h GLU 74 Ca 0.06 -0.68 -0.36 0.00 -0.50 0.00 0.00 59.36 57.88 2dk9 h GLU 74 Cb 0.90 0.25 -0.06 0.00 -0.84 0.00 0.00 28.75 29.00 2dk9 h GLU 74 CO 0.08 1.32 -2.33 -0.11 -1.40 0.00 0.00 179.01 176.57 2dk9 n LEU 75 N -3.90 2.72 0.00 1.33 0.00 0.14 -5.04 117.00 112.25 2dk9 n LEU 75 Ca -0.17 -0.03 0.00 0.00 0.00 0.00 0.00 56.01 55.80 2dk9 n LEU 75 Cb 0.96 -0.79 0.00 0.00 0.00 0.00 0.00 43.42 43.59 2dk9 n LEU 75 CO 0.53 0.81 0.00 0.61 0.00 0.00 0.00 177.39 179.34 2dk9 n GLY 76 N 2.19 1.58 3.64 -3.96 0.00 0.24 -4.98 105.19 103.90 2dk9 n GLY 76 Ca -0.43 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 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 5.13 -0.27 -0.61 1.10 -1.26 -4.97 121.20 118.33 2dk9 s ILE 77 Ca 0.00 0.79 -0.29 0.00 -0.51 0.00 0.00 60.65 60.64 2dk9 s ILE 77 Cb 0.00 -3.78 -0.01 0.00 0.15 0.00 0.00 42.46 38.83 2dk9 s ILE 77 CO 0.00 0.17 1.38 -0.89 -2.11 0.00 0.00 174.94 173.49 2dk9 s THR 78 N 1.82 4.03 -0.03 4.00 2.01 -1.26 -4.30 115.64 121.91 2dk9 s THR 78 Ca 0.20 1.16 -0.30 0.00 0.31 0.00 0.00 61.69 63.06 2dk9 s THR 78 Cb -0.15 -4.03 -0.06 0.00 0.01 0.00 0.00 72.50 68.27 2dk9 s THR 78 CO 0.09 -0.42 1.55 -2.16 -0.69 0.00 0.00 174.62 173.00 2dk9 s PRO 79 N 4.28 4.22 -0.21 4.92 0.04 -1.26 -4.90 135.00 142.08 2dk9 s PRO 79 Ca 0.60 2.11 0.15 0.00 0.04 0.00 0.00 61.00 63.90 2dk9 s PRO 79 Cb -0.19 -3.78 0.75 0.00 0.04 0.00 0.00 34.50 31.32 2dk9 s PRO 79 CO 0.24 -0.74 1.67 0.28 0.04 0.00 0.00 177.00 178.49 2dk9 n VAL 80 N 5.11 2.56 -3.76 -0.36 0.31 -1.26 -4.94 118.33 115.99 2dk9 n VAL 80 Ca 0.16 -1.48 -0.13 0.00 -0.01 0.00 0.00 64.34 62.87 2dk9 n VAL 80 Cb 0.43 -0.22 -0.09 0.00 -0.91 0.00 0.00 33.84 33.05 2dk9 n VAL 80 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2dk9 s VAL 81 N -2.67 0.04 0.56 2.52 0.11 -1.26 -4.86 120.40 114.85 2dk9 s VAL 81 Ca 0.52 -0.37 -0.09 0.00 -2.93 0.00 0.00 61.98 59.11 2dk9 s VAL 81 Cb 0.39 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 2dk9 s VAL 81 CO 0.15 -0.20 0.93 -0.44 -3.33 0.00 0.00 175.10 172.21 2dk9 s SER 82 N -1.02 6.25 0.14 3.54 0.01 -1.26 -4.96 113.70 116.39 2dk9 s SER 82 Ca -0.11 1.23 -0.14 0.00 1.31 0.00 0.00 55.95 58.24 2dk9 s SER 82 Cb -0.05 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2dk9 s SER 82 CO 0.04 -0.75 1.63 0.00 0.41 0.00 0.00 173.24 174.56 2dk9 h ALA 83 N -0.09 0.59 -0.30 1.44 0.00 -1.96 -2.21 119.26 116.73 2dk9 h ALA 83 Ca -0.45 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 2dk9 h ALA 83 Cb 1.20 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2dk9 h ALA 83 CO 0.62 0.30 0.00 0.37 0.00 0.00 0.00 179.25 180.54 2dk9 h GLN 84 N 0.60 0.46 -0.17 0.00 4.15 -1.95 0.66 115.11 118.86 2dk9 h GLN 84 Ca 0.14 -0.09 -0.05 0.00 0.77 0.00 0.00 58.65 59.42 2dk9 h GLN 84 Cb 0.36 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 2dk9 h GLN 84 CO 0.01 0.49 -0.09 0.00 -1.93 0.00 0.00 178.83 177.30 2dk9 h ALA 85 N 1.57 0.24 -0.29 3.38 0.00 -1.89 0.30 119.26 122.57 2dk9 h ALA 85 Ca 0.10 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 2dk9 h ALA 85 Cb 0.29 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2dk9 h ALA 85 CO 0.01 0.07 -0.40 -0.24 0.00 0.00 0.00 179.25 178.69 2dk9 h VAL 86 N 0.05 1.29 -0.33 0.00 3.04 -1.20 0.52 116.25 119.62 2dk9 h VAL 86 Ca 0.04 -1.59 -0.11 0.00 -1.01 0.00 0.00 66.70 64.03 2dk9 h VAL 86 Cb 0.58 1.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.46 2dk9 h VAL 86 CO 0.03 0.51 -0.25 0.58 -1.01 0.00 0.00 177.57 177.43 2dk9 h VAL 87 N 0.54 1.27 0.00 1.51 2.07 -0.90 -2.88 116.25 117.86 2dk9 h VAL 87 Ca 0.03 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.22 2dk9 h VAL 87 Cb 1.00 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 2dk9 h VAL 87 CO 0.09 0.44 -0.64 0.00 0.02 0.00 0.00 177.57 177.47 2dk9 n ALA 88 N -2.50 3.16 -2.27 1.67 0.00 0.09 -4.49 120.51 116.17 2dk9 n ALA 88 Ca -0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 53.44 52.95 2dk9 n ALA 88 Cb 0.43 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 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 1.39 -0.12 0.09 0.00 0.00 0.18 -4.86 105.19 101.87 2dk9 n GLY 89 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 2dk9 n GLY 89 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dk9 h SER 90 N 0.00 0.22 -3.24 1.61 0.87 -1.75 -3.38 113.55 107.87 2dk9 h SER 90 Ca -0.44 -0.22 -0.73 0.00 -1.23 0.00 0.00 61.79 59.17 2dk9 h SER 90 Cb 1.32 -0.07 -0.33 0.00 -0.44 0.00 0.00 62.40 62.87 2dk9 h SER 90 CO 0.54 1.13 0.11 0.47 -0.53 0.00 0.00 176.83 178.55 2dk9 n ASP 91 N -3.49 4.75 -0.23 6.23 8.00 -1.25 -4.89 116.55 125.67 2dk9 n ASP 91 Ca -0.04 -3.17 -0.07 0.00 0.71 0.00 0.00 54.79 52.23 2dk9 n ASP 91 Cb 0.94 -1.13 0.04 0.00 -0.02 0.00 0.00 41.12 40.95 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 5.94 0.90 -0.90 -0.24 0.13 -1.91 -2.47 132.00 133.45 2dk9 h PRO 92 Ca 0.17 -0.12 0.04 0.00 -0.87 0.00 0.00 66.00 65.22 2dk9 h PRO 92 Cb 0.79 -0.17 -0.06 0.00 0.13 0.00 0.00 31.00 31.70 2dk9 h PRO 92 CO 0.95 0.70 0.58 -0.07 -0.23 0.00 0.00 178.00 179.94 2dk9 h LEU 93 N 0.87 0.96 -0.81 1.56 3.38 -1.97 -2.08 115.31 117.22 2dk9 h LEU 93 Ca 0.22 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 2dk9 h LEU 93 Cb 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2dk9 h LEU 93 CO -0.03 0.65 -0.06 1.23 0.09 0.00 0.00 178.44 180.32 2dk9 h GLY 94 N 1.12 0.90 1.01 0.83 0.00 -1.85 -2.51 103.07 102.56 2dk9 h GLY 94 Ca 0.37 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2dk9 h GLY 94 CO -0.13 0.60 0.46 -2.00 0.00 0.00 0.00 176.54 175.47 2dk9 h LEU 95 N 0.77 0.84 -0.60 3.11 6.46 -0.94 -1.88 115.31 123.07 2dk9 h LEU 95 Ca 0.14 -0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 2dk9 h LEU 95 Cb 0.54 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 2dk9 h LEU 95 CO 0.03 0.63 0.09 0.40 -0.62 0.00 0.00 178.44 178.97 2dk9 h ILE 96 N 0.97 1.26 -0.56 4.05 1.08 -1.29 -0.87 117.51 122.15 2dk9 h ILE 96 Ca 0.26 -1.00 0.01 0.00 -0.39 0.00 0.00 64.86 63.74 2dk9 h ILE 96 Cb -0.08 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 34.39 2dk9 h ILE 96 CO -0.05 0.37 0.36 0.00 -0.69 0.00 0.00 178.15 178.13 2dk9 h ALA 97 N 1.01 0.72 -0.37 1.87 0.00 -1.05 -1.83 119.26 119.61 2dk9 h ALA 97 Ca 0.18 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 2dk9 h ALA 97 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2dk9 h ALA 97 CO 0.01 0.11 -0.35 -0.92 0.00 0.00 0.00 179.25 178.10 2dk9 h TYR 98 N 0.72 0.99 -0.89 0.00 3.20 -1.20 -3.03 116.97 116.77 2dk9 h TYR 98 Ca 0.21 -0.28 0.04 0.00 3.14 0.00 0.00 58.73 61.85 2dk9 h TYR 98 Cb -0.04 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 37.96 2dk9 h TYR 98 CO -0.05 1.07 0.58 1.25 -1.64 0.00 0.00 178.16 179.37 2dk9 h LEU 99 N 0.70 0.94 -0.79 2.82 7.12 -0.73 -1.84 115.31 123.53 2dk9 h LEU 99 Ca 0.07 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.07 2dk9 h LEU 99 Cb 0.91 -0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 40.79 2dk9 h LEU 99 CO 0.08 0.63 0.50 -1.28 -0.13 0.00 0.00 178.44 178.24 2dk9 h SER 100 N 1.08 0.92 -0.58 1.25 0.87 -1.22 0.14 113.55 116.01 2dk9 h SER 100 Ca 0.36 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.82 2dk9 h SER 100 Cb 0.08 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 2dk9 h SER 100 CO -0.12 0.69 0.13 -0.74 -0.53 0.00 0.00 176.83 176.26 2dk9 h HIS 101 N 1.07 0.98 -0.33 2.24 -0.00 -1.34 -0.61 115.15 117.15 2dk9 h HIS 101 Ca 0.29 -0.12 -0.09 0.00 -0.00 0.00 0.00 60.37 60.44 2dk9 h HIS 101 Cb -0.09 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.04 2dk9 h HIS 101 CO -0.01 0.84 -0.14 0.74 -0.00 0.00 0.00 177.93 179.36 2dk9 h PHE 102 N 0.83 0.78 -0.57 5.26 0.04 -0.99 -2.86 116.94 119.44 2dk9 h PHE 102 Ca 0.18 -0.19 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 2dk9 h PHE 102 Cb 0.36 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 2dk9 h PHE 102 CO 0.03 0.88 0.25 1.25 -0.60 0.00 0.00 178.31 180.12 2dk9 h HIS 103 N 0.45 0.84 -0.41 -0.55 2.76 -0.61 0.67 115.15 118.30 2dk9 h HIS 103 Ca 0.08 -0.05 0.04 0.00 -2.20 0.00 0.00 60.37 58.23 2dk9 h HIS 103 Cb 0.67 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 2dk9 h HIS 103 CO 0.06 0.66 0.28 0.77 -1.30 0.00 0.00 177.93 178.40 2dk9 h SER 104 N 0.77 0.34 0.14 3.26 0.02 -1.06 0.44 113.55 117.46 2dk9 h SER 104 Ca 0.19 -0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.93 2dk9 h SER 104 Cb 0.16 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 62.64 2dk9 h SER 104 CO -0.02 0.23 -0.97 0.00 -1.14 0.00 0.00 176.83 174.93 2dk9 h ALA 105 N 1.77 -0.03 -0.18 3.77 0.00 -1.20 -2.94 119.26 120.45 2dk9 h ALA 105 Ca 0.17 -0.79 -0.08 0.00 0.00 0.00 0.00 54.91 54.21 2dk9 h ALA 105 Cb 0.19 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2dk9 h ALA 105 CO -0.04 0.49 -0.26 0.74 0.00 0.00 0.00 179.25 180.18 2dk9 h PHE 106 N -0.35 0.36 -0.02 0.00 -1.00 -0.50 0.83 116.94 116.27 2dk9 h PHE 106 Ca -0.18 -0.07 -0.16 0.00 2.81 0.00 0.00 57.97 60.37 2dk9 h PHE 106 Cb 1.68 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 41.13 2dk9 h PHE 106 CO 0.18 0.56 -0.72 -0.22 -1.61 0.00 0.00 178.31 176.50 2dk9 h LYS 107 N 0.29 0.11 0.04 1.51 1.63 -0.24 -3.25 116.57 116.66 2dk9 h LYS 107 Ca 0.05 -0.09 -0.31 0.00 -0.85 0.00 0.00 60.65 59.44 2dk9 h LYS 107 Cb 0.62 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.23 2dk9 h LYS 107 CO 0.04 0.78 -1.79 0.43 -3.45 0.00 0.00 179.45 175.46 2dk9 n SER 108 N -3.74 1.29 0.00 4.20 7.64 -1.04 -5.08 113.62 116.89 2dk9 n SER 108 Ca -0.02 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.22 2dk9 n SER 108 Cb 0.70 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2dk9 n SER 108 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26