#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk9 s GLY -7 N 0.00 -0.02 -0.10 -5.12 0.00 -1.26 -5.15 107.32 95.67 2dk9 s GLY -7 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.99 2dk9 s GLY -7 CO 0.00 0.37 -0.10 -2.38 0.00 0.00 0.00 173.10 170.98 2dk9 s HIS -6 N 0.39 2.85 0.00 1.90 0.00 -1.26 -4.88 115.29 114.29 2dk9 s HIS -6 Ca -0.03 -0.33 0.00 0.00 -3.00 0.00 0.00 55.06 51.70 2dk9 s HIS -6 Cb -0.04 -1.79 0.00 0.00 -4.00 0.00 0.00 32.58 26.75 2dk9 s HIS -6 CO -0.01 0.02 0.00 0.72 -1.00 0.00 0.00 174.74 174.47 2dk9 n HIS -5 N 2.98 0.00 -4.40 0.38 -0.00 -1.26 -4.91 115.22 108.02 2dk9 n HIS -5 Ca -0.18 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.55 2dk9 n HIS -5 Cb 0.53 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.51 2dk9 n HIS -5 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2dk9 n HIS -4 N 0.00 -2.00 -1.48 4.41 -0.00 -1.26 -5.00 115.22 109.89 2dk9 n HIS -4 Ca 0.00 0.09 0.19 0.00 -0.00 0.00 0.00 57.72 57.99 2dk9 n HIS -4 Cb 0.00 0.10 -0.08 0.00 -0.00 0.00 0.00 29.99 30.00 2dk9 n HIS -4 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2dk9 n HIS -3 N -1.94 -3.92 -3.56 1.57 -0.00 -1.26 -5.02 115.22 101.09 2dk9 n HIS -3 Ca 0.00 2.11 -0.01 0.00 -0.00 0.00 0.00 57.72 59.81 2dk9 n HIS -3 Cb 0.03 -3.56 -0.05 0.00 -0.00 0.00 0.00 29.99 26.40 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 -3.77 -0.74 -0.28 4.41 5.65 -1.26 -5.14 115.29 114.16 2dk9 s HIS -2 Ca 0.00 1.38 -0.03 0.00 0.25 0.00 0.00 55.06 56.66 2dk9 s HIS -2 Cb 0.00 0.44 0.09 0.00 -1.18 0.00 0.00 32.58 31.94 2dk9 s HIS -2 CO 0.00 -0.37 0.11 -1.01 -0.65 0.00 0.00 174.74 172.82 2dk9 s HIS -1 N 1.91 0.90 -0.32 3.88 0.09 -1.26 -5.05 115.29 115.44 2dk9 s HIS -1 Ca -0.07 -1.16 -0.10 0.00 -0.00 0.00 0.00 55.06 53.73 2dk9 s HIS -1 Cb -0.05 -1.20 0.19 0.00 -0.00 0.00 0.00 32.58 31.51 2dk9 s HIS -1 CO -0.17 -0.80 1.06 -1.64 -0.00 0.00 0.00 174.74 173.19 2dk9 s MET 0 N 1.90 0.15 0.38 1.40 1.00 -1.26 -5.06 119.30 117.81 2dk9 s MET 0 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 55.69 55.76 2dk9 s MET 0 Cb -0.17 0.03 0.00 0.00 0.00 0.00 0.00 34.83 34.69 2dk9 s MET 0 CO -0.28 -0.23 0.00 0.41 0.00 0.00 0.00 175.02 174.92 2dk9 n GLY 1 N 4.04 -1.04 1.35 -0.03 0.00 -1.26 -4.87 105.19 103.37 2dk9 n GLY 1 Ca 0.07 0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.45 3.94 -0.01 1.61 7.64 -1.26 -3.69 113.62 118.40 2dk9 n SER 2 Ca 0.00 -2.50 -0.01 0.00 1.01 0.00 0.00 58.87 57.38 2dk9 n SER 2 Cb 0.00 -0.56 -0.01 0.00 -1.01 0.00 0.00 64.21 62.63 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 0.57 1.98 0.08 -0.43 0.00 -1.26 -4.50 120.51 116.95 2dk9 n ALA 3 Ca 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.55 2dk9 n ALA 3 Cb 0.80 0.37 -0.06 0.00 0.00 0.00 0.00 19.45 20.56 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 0.13 0.00 0.35 0.00 0.00 -1.90 -3.06 103.07 98.58 2dk9 h GLY 4 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 2dk9 h GLY 4 CO -0.00 0.00 -0.12 -0.91 0.00 0.00 0.00 176.54 175.50 2dk9 h THR 5 N 0.00 1.58 -0.23 4.70 1.35 -1.85 -3.12 112.91 115.34 2dk9 h THR 5 Ca -0.06 -1.87 -0.04 0.00 -0.55 0.00 0.00 66.41 63.89 2dk9 h THR 5 Cb 1.63 2.79 -0.01 0.00 -1.73 0.00 0.00 68.15 70.82 2dk9 h THR 5 CO 0.09 0.50 -0.04 1.56 -0.25 0.00 0.00 175.52 177.37 2dk9 h GLN 6 N -0.63 0.34 -0.26 4.72 4.20 -1.79 -2.85 115.11 118.85 2dk9 h GLN 6 Ca -0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 2dk9 h GLN 6 Cb 0.88 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 2dk9 h GLN 6 CO 0.02 0.41 0.12 1.49 -0.67 0.00 0.00 178.83 180.20 2dk9 h GLU 7 N 0.33 0.38 -0.13 1.46 4.57 -1.59 -1.47 114.58 118.13 2dk9 h GLU 7 Ca 0.07 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 2dk9 h GLU 7 Cb 0.30 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2dk9 h GLU 7 CO 0.01 0.38 -0.11 1.05 -1.18 0.00 0.00 179.01 179.17 2dk9 h GLU 8 N 0.28 0.20 -0.05 1.92 4.11 -1.45 -0.82 114.58 118.78 2dk9 h GLU 8 Ca 0.09 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.46 2dk9 h GLU 8 Cb 0.13 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2dk9 h GLU 8 CO -0.01 0.32 -0.06 -0.07 0.07 0.00 0.00 179.01 179.26 2dk9 h LEU 9 N 0.19 0.14 -0.79 3.06 3.38 -1.26 -2.58 115.31 117.45 2dk9 h LEU 9 Ca 0.04 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 2dk9 h LEU 9 Cb 0.32 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2dk9 h LEU 9 CO 0.02 0.63 0.27 0.25 0.09 0.00 0.00 178.44 179.69 2dk9 h LEU 10 N -0.35 1.09 -0.57 1.67 6.46 -1.09 -2.08 115.31 120.44 2dk9 h LEU 10 Ca 0.01 -0.19 0.01 0.00 -0.12 0.00 0.00 57.88 57.59 2dk9 h LEU 10 Cb 0.59 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.21 2dk9 h LEU 10 CO 0.01 0.99 0.37 0.03 -0.62 0.00 0.00 178.44 179.22 2dk9 h ARG 11 N 1.13 0.73 -0.49 1.25 3.08 -1.17 -1.07 114.38 117.84 2dk9 h ARG 11 Ca 0.25 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 2dk9 h ARG 11 Cb 0.27 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2dk9 h ARG 11 CO -0.01 0.48 0.09 2.35 -1.07 0.00 0.00 179.97 181.81 2dk9 h TRP 12 N 0.75 0.85 -0.46 3.04 7.01 -1.23 -2.37 115.95 123.54 2dk9 h TRP 12 Ca 0.21 -0.11 0.00 0.00 2.11 0.00 0.00 58.89 61.11 2dk9 h TRP 12 Cb -0.06 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.74 2dk9 h TRP 12 CO -0.04 0.78 0.31 0.00 -2.79 0.00 0.00 178.44 176.69 2dk9 h GLN 14 N 0.63 0.66 -0.28 0.00 4.15 -1.08 -0.22 115.11 118.97 2dk9 h GLN 14 Ca 0.17 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 2dk9 h GLN 14 Cb -0.07 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.48 2dk9 h GLN 14 CO -0.04 0.51 0.00 1.49 -1.93 0.00 0.00 178.83 178.87 2dk9 h GLU 15 N 0.67 0.48 -0.03 1.69 4.57 -0.87 0.18 114.58 121.28 2dk9 h GLU 15 Ca 0.17 -0.15 -0.10 0.00 -1.18 0.00 0.00 59.36 58.10 2dk9 h GLU 15 Cb 0.06 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2dk9 h GLU 15 CO -0.02 0.64 -0.45 1.96 -1.18 0.00 0.00 179.01 179.95 2dk9 h GLN 16 N 0.27 0.06 -0.45 1.92 1.08 -0.99 -2.63 115.11 114.38 2dk9 h GLN 16 Ca 0.08 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 2dk9 h GLN 16 Cb 0.42 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2dk9 h GLN 16 CO 0.01 0.51 0.00 2.41 -0.95 0.00 0.00 178.83 180.81 2dk9 n THR 17 N -3.99 0.59 -2.79 -0.54 -1.04 -0.13 -4.81 114.28 101.57 2dk9 n THR 17 Ca -0.02 -0.69 -0.42 0.00 -2.04 0.00 0.00 64.05 60.89 2dk9 n THR 17 Cb 0.49 0.57 -0.03 0.00 -1.82 0.00 0.00 70.33 69.53 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 -1.41 3.43 0.00 2.41 0.00 0.60 -4.16 121.76 122.63 2dk9 s ALA 18 Ca 0.38 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2dk9 s ALA 18 Cb 0.20 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2dk9 s ALA 18 CO 0.28 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.88 2dk9 n GLY 19 N 3.21 1.00 3.64 0.00 0.00 -1.26 -5.01 105.19 106.78 2dk9 n GLY 19 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 0.05 1.61 1.51 -1.26 -5.02 117.35 117.56 2dk9 s TYR 20 Ca 0.00 0.90 -0.30 0.00 -1.01 0.00 0.00 57.07 56.65 2dk9 s TYR 20 Cb 0.00 -2.85 -0.08 0.00 -0.11 0.00 0.00 41.96 38.92 2dk9 s TYR 20 CO 0.00 -0.27 1.80 -2.14 -1.11 0.00 0.00 175.55 173.82 2dk9 s PRO 21 N 2.30 4.16 0.00 -1.71 0.02 -1.26 -2.14 135.00 136.37 2dk9 s PRO 21 Ca 0.28 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.76 2dk9 s PRO 21 Cb -0.16 -3.86 0.00 0.00 0.02 0.00 0.00 34.50 30.50 2dk9 s PRO 21 CO 0.09 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.32 2dk9 n GLY 22 N 4.26 2.32 3.66 0.52 0.00 -1.26 -5.05 105.19 109.63 2dk9 n GLY 22 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.36 4.60 -0.58 1.61 1.01 -0.91 -4.97 120.40 118.80 2dk9 s VAL 23 Ca 0.00 1.92 0.06 0.00 0.00 0.00 0.00 61.98 63.97 2dk9 s VAL 23 Cb 0.00 -4.24 0.23 0.00 0.00 0.00 0.00 36.38 32.37 2dk9 s VAL 23 CO 0.00 -0.15 0.64 1.41 0.00 0.00 0.00 175.10 176.99 2dk9 n HIS 24 N 6.25 2.47 -1.75 5.22 8.25 -1.26 -4.88 115.22 129.53 2dk9 n HIS 24 Ca 0.12 -4.01 -0.23 0.00 -0.26 0.00 0.00 57.72 53.35 2dk9 n HIS 24 Cb 0.46 -0.48 -0.05 0.00 1.12 0.00 0.00 29.99 31.04 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 -1.91 3.16 0.00 1.59 1.01 -1.26 -4.46 120.40 118.54 2dk9 s VAL 25 Ca 0.36 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.26 2dk9 s VAL 25 Cb 0.12 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 33.13 2dk9 s VAL 25 CO -0.07 -0.36 0.77 -0.24 0.00 0.00 0.00 175.10 175.20 2dk9 n SER 26 N 16.44 -0.00 -3.92 3.32 2.88 -1.26 -4.39 113.62 126.69 2dk9 n SER 26 Ca 0.41 -1.53 -0.13 0.00 -1.33 0.00 0.00 58.87 56.29 2dk9 n SER 26 Cb 0.47 -0.09 -0.14 0.00 -0.75 0.00 0.00 64.21 63.70 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 -0.57 0.29 -0.52 -3.46 1.11 -1.26 -5.04 116.67 107.22 2dk9 s ASP 27 Ca 0.01 -0.08 -0.01 0.00 0.18 0.00 0.00 52.55 52.65 2dk9 s ASP 27 Cb 0.01 -0.02 0.41 0.00 1.07 0.00 0.00 42.92 44.40 2dk9 s ASP 27 CO -0.01 0.00 1.98 0.18 1.18 0.00 0.00 175.17 178.50 2dk9 n LEU 28 N 2.90 7.06 0.00 1.23 4.77 -1.26 -4.17 117.00 127.53 2dk9 n LEU 28 Ca -0.13 -3.82 0.00 0.00 -0.03 0.00 0.00 56.01 52.03 2dk9 n LEU 28 Cb 0.59 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2dk9 n LEU 28 CO 0.25 1.30 0.00 -1.20 -1.33 0.00 0.00 177.39 176.41 2dk9 n SER 29 N -0.59 0.00 -0.21 -1.43 7.64 -1.26 -4.78 113.62 112.99 2dk9 n SER 29 Ca 0.52 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.38 2dk9 n SER 29 Cb 0.82 0.10 0.09 0.00 -1.01 0.00 0.00 64.21 64.21 2dk9 n SER 29 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dk9 h SER 30 N 0.00 0.42 -0.46 6.43 0.02 -1.85 -0.98 113.55 117.14 2dk9 h SER 30 Ca 0.00 0.04 0.13 0.00 -0.84 0.00 0.00 61.79 61.12 2dk9 h SER 30 Cb 0.00 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2dk9 h SER 30 CO 0.00 0.27 0.35 0.28 -1.14 0.00 0.00 176.83 176.59 2dk9 h SER 31 N 0.56 0.00 -0.04 3.07 0.02 -1.93 0.37 113.55 115.61 2dk9 h SER 31 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2dk9 h SER 31 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2dk9 h SER 31 CO -0.21 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.27 2dk9 n TRP 32 N -4.24 0.02 0.06 3.45 7.02 -0.41 -3.98 117.44 119.36 2dk9 n TRP 32 Ca 0.08 -0.01 -0.09 0.00 -1.02 0.00 0.00 57.50 56.46 2dk9 n TRP 32 Cb 0.56 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.39 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 4.47 -0.80 0.00 6.99 0.00 0.18 -1.72 119.26 128.38 2dk9 h ALA 33 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2dk9 h ALA 33 Cb 0.69 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2dk9 h ALA 33 CO 0.00 -0.87 0.00 -0.40 0.00 0.00 0.00 179.25 177.98 2dk9 n ASP 34 N -4.10 0.00 -1.49 0.00 5.68 -1.26 -4.52 116.55 110.85 2dk9 n ASP 34 Ca -0.05 -0.61 -0.10 0.00 -0.50 0.00 0.00 54.79 53.54 2dk9 n ASP 34 Cb 0.23 -0.13 0.02 0.00 -1.14 0.00 0.00 41.12 40.09 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 1.12 0.17 0.13 6.12 0.00 -0.65 -4.61 105.19 107.47 2dk9 n GLY 35 Ca 0.20 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 2dk9 n GLY 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dk9 h LEU 36 N -0.66 0.33 -0.31 0.99 7.12 -1.83 -1.83 115.31 119.13 2dk9 h LEU 36 Ca -0.23 -0.45 0.01 0.00 0.13 0.00 0.00 57.88 57.33 2dk9 h LEU 36 Cb 1.16 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.18 2dk9 h LEU 36 CO 0.25 0.71 0.19 0.00 -0.13 0.00 0.00 178.44 179.46 2dk9 h ALA 37 N 0.63 0.39 -0.30 1.25 0.00 -1.93 0.23 119.26 119.53 2dk9 h ALA 37 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2dk9 h ALA 37 Cb 0.60 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2dk9 h ALA 37 CO 0.03 -0.17 0.09 1.25 0.00 0.00 0.00 179.25 180.45 2dk9 h LEU 38 N 0.39 0.43 -0.33 0.00 5.85 -1.92 -2.11 115.31 117.62 2dk9 h LEU 38 Ca 0.12 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 2dk9 h LEU 38 Cb -0.02 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 2dk9 h LEU 38 CO -0.04 0.53 0.06 0.00 -0.34 0.00 0.00 178.44 178.64 2dk9 h ALA 40 N 0.90 0.47 0.20 0.00 0.00 -0.50 -0.23 119.26 120.09 2dk9 h ALA 40 Ca 0.10 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2dk9 h ALA 40 Cb 0.34 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2dk9 h ALA 40 CO 0.01 -0.23 -0.11 -0.07 0.00 0.00 0.00 179.25 178.84 2dk9 h LEU 41 N 0.33 -0.28 -1.05 0.00 3.38 -1.32 -2.34 115.31 114.03 2dk9 h LEU 41 Ca 0.18 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.21 2dk9 h LEU 41 Cb 0.14 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 2dk9 h LEU 41 CO -0.16 -0.19 0.64 0.58 0.09 0.00 0.00 178.44 179.40 2dk9 h VAL 42 N -0.30 1.13 -0.51 1.22 2.07 -1.22 -2.26 116.25 116.38 2dk9 h VAL 42 Ca -0.02 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.12 2dk9 h VAL 42 Cb 0.24 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.81 2dk9 h VAL 42 CO 0.03 0.22 0.30 0.22 0.02 0.00 0.00 177.57 178.36 2dk9 h TYR 43 N 1.19 0.57 -0.46 1.57 3.20 -0.74 0.58 116.97 122.88 2dk9 h TYR 43 Ca 0.41 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.25 2dk9 h TYR 43 Cb 0.09 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 2dk9 h TYR 43 CO -0.00 0.32 0.12 -0.09 -1.64 0.00 0.00 178.16 176.87 2dk9 h ARG 44 N 0.60 0.68 0.12 1.82 9.65 -0.89 0.87 114.38 127.24 2dk9 h ARG 44 Ca 0.21 -0.12 -0.28 0.00 -1.10 0.00 0.00 59.98 58.69 2dk9 h ARG 44 Cb 0.03 -0.11 0.03 0.00 -1.39 0.00 0.00 29.97 28.53 2dk9 h ARG 44 CO -0.10 0.61 -1.17 -0.07 2.80 0.00 0.00 179.97 182.04 2dk9 h LEU 45 N 0.66 0.82 -6.02 3.80 -0.00 -0.94 -3.40 115.31 110.23 2dk9 h LEU 45 Ca 0.15 -0.83 -0.56 0.00 -0.00 0.00 0.00 57.88 56.63 2dk9 h LEU 45 Cb 0.24 -0.26 -0.39 0.00 -0.00 0.00 0.00 40.66 40.24 2dk9 h LEU 45 CO -0.00 1.57 -1.04 0.00 -0.00 0.00 0.00 178.44 178.97 2dk9 n GLN 46 N -3.85 0.95 0.22 1.13 1.13 0.20 -4.94 117.38 112.21 2dk9 n GLN 46 Ca -0.14 -3.41 0.09 0.00 -1.94 0.00 0.00 57.00 51.60 2dk9 n GLN 46 Cb 0.95 -1.35 0.51 0.00 0.11 0.00 0.00 30.24 30.47 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 4.02 0.00 -0.00 -1.09 0.13 0.59 -2.45 132.00 133.20 2dk9 h PRO 47 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 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 0.25 -0.05 0.41 -0.23 0.00 0.00 178.00 178.88 2dk9 n GLY 48 N -0.25 -1.10 1.57 1.56 0.00 -1.26 -3.69 105.19 102.02 2dk9 n GLY 48 Ca -0.01 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.10 1.47 -4.05 0.99 4.77 -0.95 -5.09 117.00 113.04 2dk9 n LEU 49 Ca 0.15 -2.52 -0.08 0.00 -0.03 0.00 0.00 56.01 53.53 2dk9 n LEU 49 Cb 0.25 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.22 2dk9 n LEU 49 CO 0.23 0.76 -0.27 -0.76 -1.33 0.00 0.00 177.39 176.03 2dk9 s LEU 50 N -1.15 2.01 -0.41 2.23 2.01 -1.03 -5.03 118.68 117.31 2dk9 s LEU 50 Ca 0.34 -0.96 0.09 0.00 0.01 0.00 0.00 54.13 53.60 2dk9 s LEU 50 Cb 0.38 0.47 0.29 0.00 0.01 0.00 0.00 46.19 47.34 2dk9 s LEU 50 CO -0.13 -0.68 0.75 -0.62 1.01 0.00 0.00 176.35 176.69 2dk9 n GLU 51 N 0.01 0.86 -0.04 1.70 1.02 -1.26 -4.94 120.64 117.99 2dk9 n GLU 51 Ca -0.12 -2.80 -0.08 0.00 -0.02 0.00 0.00 57.16 54.13 2dk9 n GLU 51 Cb 0.62 -1.39 -0.03 0.00 -0.02 0.00 0.00 31.44 30.62 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 3.50 0.03 -0.60 3.49 0.13 -1.98 -1.79 132.00 134.77 2dk9 h PRO 52 Ca 0.01 -0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.32 2dk9 h PRO 52 Cb 0.97 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 2dk9 h PRO 52 CO 0.40 0.02 0.44 0.77 -0.23 0.00 0.00 178.00 179.39 2dk9 h SER 53 N 0.03 0.00 0.02 1.44 0.02 -1.96 1.07 113.55 114.16 2dk9 h SER 53 Ca 0.09 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2dk9 h SER 53 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2dk9 h SER 53 CO -0.18 0.00 -0.01 -0.08 -1.14 0.00 0.00 176.83 175.42 2dk9 h GLU 54 N 0.00 -0.02 -0.00 3.45 4.81 -1.75 -3.26 114.58 117.81 2dk9 h GLU 54 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2dk9 h GLU 54 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2dk9 h GLU 54 CO -0.00 0.54 -0.22 1.28 -0.73 0.00 0.00 179.01 179.88 2dk9 n LEU 55 N -4.82 0.24 -0.20 1.64 7.99 -0.69 -2.88 117.00 118.27 2dk9 n LEU 55 Ca -0.09 0.26 0.00 0.00 -0.01 0.00 0.00 56.01 56.18 2dk9 n LEU 55 Cb 0.29 -0.38 0.24 0.00 -0.11 0.00 0.00 43.42 43.46 2dk9 n LEU 55 CO 0.33 0.06 1.21 1.56 -1.51 0.00 0.00 177.39 179.03 2dk9 h GLN 56 N 0.03 0.96 0.00 3.23 4.20 0.11 -3.28 115.11 120.36 2dk9 h GLN 56 Ca 0.00 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 2dk9 h GLN 56 Cb 0.49 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2dk9 h GLN 56 CO 0.00 0.66 -1.21 0.41 -0.67 0.00 0.00 178.83 178.02 2dk9 n GLY 57 N -1.35 -0.17 0.41 3.46 0.00 -1.25 -4.65 105.19 101.63 2dk9 n GLY 57 Ca 0.07 -0.07 0.22 0.00 0.00 0.00 0.00 46.02 46.24 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 0.40 0.00 0.99 4.07 -1.62 -3.44 115.31 115.70 2dk9 h LEU 58 Ca -0.06 0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2dk9 h LEU 58 Cb 0.85 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.58 2dk9 h LEU 58 CO 0.00 0.12 0.00 0.61 -1.08 0.00 0.00 178.44 178.09 2dk9 n GLY 59 N -1.51 2.06 0.10 0.83 0.00 -1.24 -5.00 105.19 100.44 2dk9 n GLY 59 Ca 0.22 -0.40 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.14 -0.81 4.61 0.00 -1.82 -2.32 119.26 118.78 2dk9 h ALA 60 Ca 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2dk9 h ALA 60 Cb 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2dk9 h ALA 60 CO 0.00 -0.15 0.53 -0.07 0.00 0.00 0.00 179.25 179.57 2dk9 h LEU 61 N -1.01 0.85 -0.43 0.00 3.38 -1.91 -0.96 115.31 115.22 2dk9 h LEU 61 Ca -0.01 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2dk9 h LEU 61 Cb 0.29 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2dk9 h LEU 61 CO 0.02 0.58 -0.14 -0.08 0.09 0.00 0.00 178.44 178.91 2dk9 h GLU 62 N 0.98 0.86 -0.57 1.13 4.81 -1.94 -0.98 114.58 118.86 2dk9 h GLU 62 Ca 0.33 -0.34 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2dk9 h GLU 62 Cb 0.07 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2dk9 h GLU 62 CO -0.10 0.98 0.18 0.00 -0.73 0.00 0.00 179.01 179.34 2dk9 h ALA 63 N 0.85 0.74 0.04 2.92 0.00 -0.79 0.32 119.26 123.35 2dk9 h ALA 63 Ca 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2dk9 h ALA 63 Cb 0.69 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2dk9 h ALA 63 CO 0.05 0.41 -0.02 1.15 0.00 0.00 0.00 179.25 180.83 2dk9 h THR 64 N 0.80 1.19 -0.50 0.00 2.02 -1.13 0.23 112.91 115.50 2dk9 h THR 64 Ca 0.18 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.56 2dk9 h THR 64 Cb 0.28 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 2dk9 h THR 64 CO -0.01 0.19 0.18 0.00 0.37 0.00 0.00 175.52 176.26 2dk9 h ALA 65 N 0.53 0.66 -0.51 6.16 0.00 -1.13 0.10 119.26 125.08 2dk9 h ALA 65 Ca -0.01 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2dk9 h ALA 65 Cb 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2dk9 h ALA 65 CO 0.01 0.29 -0.07 2.35 0.00 0.00 0.00 179.25 181.82 2dk9 h TRP 66 N 0.68 1.05 -0.48 0.00 7.01 -0.37 -1.94 115.95 121.90 2dk9 h TRP 66 Ca 0.17 -0.21 -0.12 0.00 2.11 0.00 0.00 58.89 60.84 2dk9 h TRP 66 Cb 0.23 -0.26 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 2dk9 h TRP 66 CO 0.01 0.99 -0.17 0.00 -2.79 0.00 0.00 178.44 176.48 2dk9 h ALA 67 N 0.91 0.78 -0.45 2.65 0.00 -0.35 -1.03 119.26 121.77 2dk9 h ALA 67 Ca 0.13 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2dk9 h ALA 67 Cb 0.62 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2dk9 h ALA 67 CO 0.04 0.66 0.08 -0.07 0.00 0.00 0.00 179.25 179.96 2dk9 h LEU 68 N 0.83 0.70 -0.09 0.00 3.38 -0.68 0.49 115.31 119.95 2dk9 h LEU 68 Ca 0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2dk9 h LEU 68 Cb 0.73 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2dk9 h LEU 68 CO 0.06 0.77 -0.04 0.50 0.09 0.00 0.00 178.44 179.82 2dk9 h LYS 69 N 0.60 0.18 -0.45 1.13 3.64 -1.29 -2.55 116.57 117.84 2dk9 h LYS 69 Ca 0.14 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 2dk9 h LYS 69 Cb 0.37 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2dk9 h LYS 69 CO 0.01 0.54 -0.22 -0.24 -2.27 0.00 0.00 179.45 177.27 2dk9 h VAL 70 N -0.19 1.27 -0.63 2.00 3.04 -1.17 -1.30 116.25 119.27 2dk9 h VAL 70 Ca 0.02 -1.37 0.08 0.00 -1.01 0.00 0.00 66.70 64.41 2dk9 h VAL 70 Cb 0.49 1.20 -0.06 0.00 -2.01 0.00 0.00 31.29 30.91 2dk9 h VAL 70 CO 0.01 0.47 0.30 0.00 -1.01 0.00 0.00 177.57 177.34 2dk9 h ALA 71 N 0.84 0.84 -0.29 3.17 0.00 -0.03 0.87 119.26 124.66 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 0.79 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2dk9 h ALA 71 CO 0.07 -0.07 -0.42 1.49 0.00 0.00 0.00 179.25 180.31 2dk9 h GLU 72 N 0.55 0.71 -0.34 0.00 4.22 -1.35 0.41 114.58 118.77 2dk9 h GLU 72 Ca 0.30 -0.38 -0.15 0.00 0.08 0.00 0.00 59.36 59.22 2dk9 h GLU 72 Cb 0.28 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2dk9 h GLU 72 CO -0.23 0.99 -0.36 -0.91 -2.18 0.00 0.00 179.01 176.32 2dk9 h ASN 73 N 0.58 0.91 0.19 1.04 4.21 -0.07 0.71 115.58 123.15 2dk9 h ASN 73 Ca 0.04 -0.47 -0.27 0.00 1.21 0.00 0.00 56.30 56.81 2dk9 h ASN 73 Cb 0.96 -0.26 0.03 0.00 -1.12 0.00 0.00 38.32 37.93 2dk9 h ASN 73 CO 0.09 1.19 -1.22 -0.33 -1.29 0.00 0.00 177.43 175.87 2dk9 h GLU 74 N 0.64 0.40 0.00 0.81 3.07 0.76 -3.41 114.58 116.85 2dk9 h GLU 74 Ca 0.05 -0.69 -0.41 0.00 -0.50 0.00 0.00 59.36 57.82 2dk9 h GLU 74 Cb 0.94 0.26 -0.07 0.00 -0.84 0.00 0.00 28.75 29.04 2dk9 h GLU 74 CO 0.09 1.33 -2.45 1.28 -1.40 0.00 0.00 179.01 177.85 2dk9 n LEU 75 N -3.90 2.52 0.00 1.33 4.32 0.14 -5.03 117.00 116.38 2dk9 n LEU 75 Ca -0.17 0.06 0.00 0.00 -0.02 0.00 0.00 56.01 55.88 2dk9 n LEU 75 Cb 0.97 -0.84 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 2dk9 n LEU 75 CO 0.53 0.77 0.00 0.61 -1.22 0.00 0.00 177.39 178.08 2dk9 n GLY 76 N 1.90 1.38 3.60 -0.72 0.00 0.25 -4.99 105.19 106.61 2dk9 n GLY 76 Ca -0.48 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 4.70 0.05 -0.61 1.01 -1.25 -4.93 121.20 118.18 2dk9 s ILE 77 Ca 0.00 1.07 -0.31 0.00 0.00 0.00 0.00 60.65 61.41 2dk9 s ILE 77 Cb 0.00 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 2dk9 s ILE 77 CO 0.00 -0.42 1.21 -0.89 0.00 0.00 0.00 174.94 174.84 2dk9 s THR 78 N 3.18 4.03 0.31 2.92 2.01 -1.26 -3.83 115.64 123.00 2dk9 s THR 78 Ca 0.34 1.45 -0.29 0.00 0.31 0.00 0.00 61.69 63.50 2dk9 s THR 78 Cb -0.13 -3.93 -0.13 0.00 0.01 0.00 0.00 72.50 68.32 2dk9 s THR 78 CO 0.16 0.10 1.30 -2.65 -0.69 0.00 0.00 174.62 172.84 2dk9 n PRO 79 N 4.06 2.03 -0.00 4.92 -0.02 -1.26 -4.92 135.00 139.80 2dk9 n PRO 79 Ca 0.09 0.72 0.02 0.00 -2.02 0.00 0.00 63.50 62.31 2dk9 n PRO 79 Cb 0.46 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 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 0.77 0.00 -4.24 -1.45 0.31 -1.26 -5.05 118.33 107.41 2dk9 n VAL 80 Ca 0.07 -0.09 -0.14 0.00 -0.01 0.00 0.00 64.34 64.17 2dk9 n VAL 80 Cb 0.34 0.42 -0.10 0.00 -0.91 0.00 0.00 33.84 33.59 2dk9 n VAL 80 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2dk9 s VAL 81 N -2.25 1.15 0.51 2.52 1.01 -1.26 -5.08 120.40 117.00 2dk9 s VAL 81 Ca -0.01 -2.02 -0.10 0.00 0.00 0.00 0.00 61.98 59.85 2dk9 s VAL 81 Cb 0.02 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.55 2dk9 s VAL 81 CO 0.15 -0.73 0.88 -0.55 0.00 0.00 0.00 175.10 174.85 2dk9 s SER 82 N -3.09 6.37 0.14 3.32 0.15 -1.26 -4.99 113.70 114.33 2dk9 s SER 82 Ca 0.16 1.20 -0.14 0.00 0.70 0.00 0.00 55.95 57.87 2dk9 s SER 82 Cb 0.02 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2dk9 s SER 82 CO 0.00 -0.62 1.62 0.00 1.20 0.00 0.00 173.24 175.45 2dk9 h ALA 83 N 0.42 0.58 -0.50 5.45 0.00 -1.95 -2.51 119.26 120.75 2dk9 h ALA 83 Ca -0.46 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.29 2dk9 h ALA 83 Cb 1.19 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 2dk9 h ALA 83 CO 0.62 0.30 0.20 -0.56 0.00 0.00 0.00 179.25 179.81 2dk9 h GLN 84 N 0.59 0.38 -0.73 0.00 3.07 -1.95 0.19 115.11 116.65 2dk9 h GLN 84 Ca 0.13 -0.02 -0.04 0.00 0.09 0.00 0.00 58.65 58.82 2dk9 h GLN 84 Cb 0.37 -0.09 -0.03 0.00 0.08 0.00 0.00 27.48 27.81 2dk9 h GLN 84 CO 0.01 0.25 0.32 0.00 0.09 0.00 0.00 178.83 179.50 2dk9 h ALA 85 N 1.32 1.18 0.06 0.06 0.00 -1.93 0.59 119.26 120.53 2dk9 h ALA 85 Ca 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2dk9 h ALA 85 Cb 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2dk9 h ALA 85 CO -0.22 0.61 -0.03 0.28 0.00 0.00 0.00 179.25 179.89 2dk9 h VAL 86 N 1.05 1.23 -0.42 0.00 2.07 -0.87 0.12 116.25 119.43 2dk9 h VAL 86 Ca 0.25 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 2dk9 h VAL 86 Cb 0.16 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2dk9 h VAL 86 CO -0.03 0.25 0.13 0.58 0.02 0.00 0.00 177.57 178.52 2dk9 h VAL 87 N -0.53 1.18 0.00 2.57 2.07 -0.58 -1.86 116.25 119.09 2dk9 h VAL 87 Ca -0.01 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 2dk9 h VAL 87 Cb 0.47 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2dk9 h VAL 87 CO 0.01 0.22 -0.31 0.00 0.02 0.00 0.00 177.57 177.51 2dk9 n ALA 88 N -2.47 2.71 -2.90 1.67 0.00 0.19 -4.36 120.51 115.35 2dk9 n ALA 88 Ca 0.03 -0.17 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 2dk9 n ALA 88 Cb 0.18 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.33 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 2.24 0.00 0.00 0.38 -4.87 105.19 103.81 2dk9 n GLY 89 Ca 0.05 0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2dk9 n GLY 89 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dk9 n SER 90 N -2.29 6.80 -2.73 1.61 2.88 -0.92 -4.64 113.62 114.32 2dk9 n SER 90 Ca -0.12 -3.77 -0.06 0.00 -1.33 0.00 0.00 58.87 53.59 2dk9 n SER 90 Cb 0.62 -0.87 0.04 0.00 -0.75 0.00 0.00 64.21 63.25 2dk9 n SER 90 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2dk9 n ASP 91 N -0.92 -2.71 -0.23 -3.46 2.03 -1.26 -5.02 116.55 104.97 2dk9 n ASP 91 Ca 0.59 -2.73 -0.06 0.00 0.52 0.00 0.00 54.79 53.11 2dk9 n ASP 91 Cb 0.81 1.54 0.04 0.00 -0.72 0.00 0.00 41.12 42.80 2dk9 n ASP 91 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dk9 h PRO 92 N 4.22 0.91 -0.89 -0.67 0.13 -1.90 -1.31 132.00 132.49 2dk9 h PRO 92 Ca -0.08 -0.12 0.02 0.00 -0.87 0.00 0.00 66.00 64.95 2dk9 h PRO 92 Cb 1.09 -0.17 -0.05 0.00 0.13 0.00 0.00 31.00 32.00 2dk9 h PRO 92 CO 0.11 0.71 0.59 -0.07 -0.23 0.00 0.00 178.00 179.10 2dk9 h LEU 93 N 0.88 1.00 -0.30 1.56 4.07 -2.00 -1.77 115.31 118.75 2dk9 h LEU 93 Ca 0.22 -0.02 -0.19 0.00 0.08 0.00 0.00 57.88 57.98 2dk9 h LEU 93 Cb 0.08 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.58 2dk9 h LEU 93 CO -0.03 0.71 -0.57 1.23 -1.08 0.00 0.00 178.44 178.70 2dk9 h GLY 94 N 1.18 0.93 1.01 0.83 0.00 -1.92 -2.54 103.07 102.56 2dk9 h GLY 94 Ca 0.34 -1.11 0.01 0.00 0.00 0.00 0.00 47.33 46.57 2dk9 h GLY 94 CO -0.09 0.99 0.51 -2.00 0.00 0.00 0.00 176.54 175.95 2dk9 h LEU 95 N 0.64 0.88 -0.47 3.11 7.12 -0.89 -1.94 115.31 123.77 2dk9 h LEU 95 Ca 0.01 -0.02 -0.11 0.00 0.13 0.00 0.00 57.88 57.89 2dk9 h LEU 95 Cb 1.18 -0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 41.07 2dk9 h LEU 95 CO 0.12 0.64 -0.13 0.40 -0.13 0.00 0.00 178.44 179.34 2dk9 h ILE 96 N 1.04 1.27 -0.50 4.05 2.04 -1.33 -2.18 117.51 121.90 2dk9 h ILE 96 Ca 0.28 -1.26 0.04 0.00 1.00 0.00 0.00 64.86 64.91 2dk9 h ILE 96 Cb -0.12 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2dk9 h ILE 96 CO -0.06 0.44 0.27 0.00 0.00 0.00 0.00 178.15 178.79 2dk9 h ALA 97 N 0.88 0.64 -0.54 1.87 0.00 -1.05 -1.68 119.26 119.37 2dk9 h ALA 97 Ca 0.12 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2dk9 h ALA 97 Cb 0.68 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2dk9 h ALA 97 CO 0.05 -0.06 0.07 -0.92 0.00 0.00 0.00 179.25 178.38 2dk9 h TYR 98 N 0.53 0.98 -0.39 0.00 3.20 -1.29 -2.68 116.97 117.32 2dk9 h TYR 98 Ca 0.21 -0.14 0.04 0.00 3.14 0.00 0.00 58.73 61.97 2dk9 h TYR 98 Cb 0.09 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 2dk9 h TYR 98 CO -0.09 0.88 0.26 1.25 -1.64 0.00 0.00 178.16 178.81 2dk9 h LEU 99 N 0.80 0.33 -0.38 2.82 5.85 -0.90 -2.04 115.31 121.79 2dk9 h LEU 99 Ca 0.16 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2dk9 h LEU 99 Cb 0.44 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 2dk9 h LEU 99 CO 0.01 0.23 0.20 -1.28 -0.34 0.00 0.00 178.44 177.26 2dk9 h SER 100 N 0.38 0.48 -0.41 1.25 0.87 -0.97 0.30 113.55 115.46 2dk9 h SER 100 Ca 0.16 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 2dk9 h SER 100 Cb 0.16 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 2dk9 h SER 100 CO -0.04 0.45 0.19 -0.74 -0.53 0.00 0.00 176.83 176.16 2dk9 h HIS 101 N 0.48 0.59 -0.27 2.24 -0.00 -1.35 0.30 115.15 117.13 2dk9 h HIS 101 Ca 0.13 -0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.42 2dk9 h HIS 101 Cb 0.08 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.30 2dk9 h HIS 101 CO -0.02 0.49 -0.02 0.74 -0.00 0.00 0.00 177.93 179.11 2dk9 h PHE 102 N 0.51 0.53 0.10 5.26 -1.00 -1.27 -0.73 116.94 120.35 2dk9 h PHE 102 Ca 0.14 -0.10 -0.00 0.00 2.81 0.00 0.00 57.97 60.81 2dk9 h PHE 102 Cb 0.12 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.55 2dk9 h PHE 102 CO -0.01 0.66 -0.05 1.25 -1.61 0.00 0.00 178.31 178.55 2dk9 h HIS 103 N 0.25 -0.13 0.00 -0.55 2.76 -0.27 0.39 115.15 117.61 2dk9 h HIS 103 Ca 0.07 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 2dk9 h HIS 103 Cb 0.46 0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.46 2dk9 h HIS 103 CO 0.04 0.10 -0.08 1.03 -1.30 0.00 0.00 177.93 177.73 2dk9 h SER 104 N -0.34 0.00 0.30 3.26 0.87 -0.43 0.55 113.55 117.76 2dk9 h SER 104 Ca -0.01 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.27 2dk9 h SER 104 Cb 0.28 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.26 2dk9 h SER 104 CO 0.02 0.08 -1.20 0.00 -0.53 0.00 0.00 176.83 175.20 2dk9 h ALA 105 N 1.92 0.09 0.17 6.23 0.00 -0.87 -3.18 119.26 123.62 2dk9 h ALA 105 Ca -0.00 -0.79 -0.30 0.00 0.00 0.00 0.00 54.91 53.82 2dk9 h ALA 105 Cb 0.14 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2dk9 h ALA 105 CO 0.01 0.78 -1.36 0.74 0.00 0.00 0.00 179.25 179.42 2dk9 h PHE 106 N 0.21 0.64 -0.67 0.00 0.04 -0.38 -3.30 116.94 113.49 2dk9 h PHE 106 Ca -0.16 -0.47 0.04 0.00 2.80 0.00 0.00 57.97 60.19 2dk9 h PHE 106 Cb 1.87 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 39.96 2dk9 h PHE 106 CO 0.09 1.39 0.44 -0.22 -0.60 0.00 0.00 178.31 179.41 2dk9 h LYS 107 N 0.10 0.74 -0.08 1.51 3.64 -0.02 -0.85 116.57 121.61 2dk9 h LYS 107 Ca -0.19 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.09 2dk9 h LYS 107 Cb 2.04 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.68 2dk9 h LYS 107 CO 0.22 0.49 -0.20 0.77 -2.27 0.00 0.00 179.45 178.46 2dk9 h SER 108 N 0.76 0.12 0.00 4.20 0.02 -1.62 -3.51 113.55 113.52 2dk9 h SER 108 Ca 0.27 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2dk9 h SER 108 Cb 0.13 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2dk9 h SER 108 CO -0.08 0.34 0.00 0.80 -1.14 0.00 0.00 176.83 176.75