#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dux n SER 2 N 0.00 0.20 -4.16 0.00 3.41 -1.26 -4.85 113.62 106.96 2dux n SER 2 Ca 0.00 -0.45 -0.18 0.00 -0.26 0.00 0.00 58.87 57.98 2dux n SER 2 Cb 0.00 -0.16 -0.12 0.00 -0.26 0.00 0.00 64.21 63.67 2dux n SER 2 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2dux s ARG 3 N -2.44 0.80 -0.03 4.33 0.52 -1.26 -0.98 118.95 119.89 2dux s ARG 3 Ca 0.32 -0.95 0.05 0.00 -0.52 0.00 0.00 55.73 54.62 2dux s ARG 3 Cb 0.20 -0.78 -0.03 0.00 0.52 0.00 0.00 34.95 34.87 2dux s ARG 3 CO 0.45 0.17 -0.16 -1.50 0.02 0.00 0.00 175.30 174.28 2dux s ILE 4 N -1.35 2.91 -0.08 1.52 2.07 0.56 -4.82 121.20 122.02 2dux s ILE 4 Ca -0.02 -0.86 -0.30 0.00 -1.41 0.00 0.00 60.65 58.06 2dux s ILE 4 Cb -0.10 -2.15 -0.02 0.00 0.13 0.00 0.00 42.46 40.32 2dux s ILE 4 CO 0.02 0.53 1.07 -0.22 -1.91 0.00 0.00 174.94 174.43 2dux s LEU 5 N -0.88 4.27 0.45 8.50 2.96 -1.26 -0.55 118.68 132.17 2dux s LEU 5 Ca 0.12 1.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.67 2dux s LEU 5 Cb -0.11 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.02 2dux s LEU 5 CO 0.01 -0.47 0.67 -0.76 -1.32 0.00 0.00 176.35 174.48 2dux s LEU 6 N 1.97 3.65 0.00 -0.68 1.43 -0.23 -4.96 118.68 119.85 2dux s LEU 6 Ca 0.51 0.31 0.15 0.00 -1.03 0.00 0.00 54.13 54.07 2dux s LEU 6 Cb -0.21 -3.19 0.91 0.00 0.03 0.00 0.00 46.19 43.74 2dux s LEU 6 CO 0.20 -0.69 1.46 -0.46 0.23 0.00 0.00 176.35 177.09 2dux n ASN 7 N -2.08 0.00 -1.22 2.29 2.04 -1.26 -1.78 115.26 113.24 2dux n ASN 7 Ca 0.01 -1.16 0.11 0.00 -0.44 0.00 0.00 54.58 53.10 2dux n ASN 7 Cb 0.58 0.00 0.27 0.00 -2.53 0.00 0.00 39.78 38.09 2dux n ASN 7 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 2dux n ASN 8 N -0.79 3.69 0.00 0.53 6.94 -1.26 -4.97 115.26 119.40 2dux n ASN 8 Ca 0.11 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.69 2dux n ASN 8 Cb 0.05 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.09 2dux n ASN 8 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2dux n GLY 9 N 1.50 0.90 3.90 4.83 0.00 -0.74 -5.06 105.19 110.53 2dux n GLY 9 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 2dux n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dux s ALA 10 N -3.38 3.83 -0.09 4.61 0.00 -1.26 -4.88 121.76 120.60 2dux s ALA 10 Ca 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 51.96 50.77 2dux s ALA 10 Cb 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 2dux s ALA 10 CO 0.00 0.46 0.11 0.15 0.00 0.00 0.00 175.76 176.48 2dux s LYS 11 N -3.38 3.30 -0.15 0.00 1.02 -1.26 -1.07 119.74 118.21 2dux s LYS 11 Ca 0.33 -0.25 0.02 0.00 0.02 0.00 0.00 55.97 56.09 2dux s LYS 11 Cb -0.10 -3.06 0.01 0.00 -0.52 0.00 0.00 37.83 34.16 2dux s LYS 11 CO 0.27 0.74 -0.20 1.41 -0.92 0.00 0.00 175.35 176.64 2dux s MET 12 N -1.20 3.06 0.21 1.68 -2.45 0.29 -4.89 119.30 116.00 2dux s MET 12 Ca 0.17 -0.83 -0.32 0.00 -1.25 0.00 0.00 55.69 53.46 2dux s MET 12 Cb -0.12 -2.48 -0.12 0.00 1.25 0.00 0.00 34.83 33.35 2dux s MET 12 CO 0.07 -0.02 1.69 -2.30 1.05 0.00 0.00 175.02 175.50 2dux n PRO 13 N 4.11 2.67 0.08 4.11 -0.02 -1.26 -0.32 135.00 144.36 2dux n PRO 13 Ca -0.20 0.96 0.12 0.00 -2.02 0.00 0.00 63.50 62.36 2dux n PRO 13 Cb 0.51 -2.79 0.46 0.00 -0.02 0.00 0.00 33.50 31.66 2dux n PRO 13 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2dux n ILE 14 N 3.68 0.64 -4.47 4.25 -5.35 -0.15 -4.54 119.36 113.42 2dux n ILE 14 Ca 0.15 0.03 -0.34 0.00 -0.27 0.00 0.00 62.75 62.32 2dux n ILE 14 Cb 0.34 -0.83 -0.13 0.00 -1.74 0.00 0.00 39.64 37.27 2dux n ILE 14 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2dux s LEU 15 N -4.00 3.01 0.25 7.28 2.96 -1.26 -0.18 118.68 126.74 2dux s LEU 15 Ca 0.08 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.79 2dux s LEU 15 Cb 0.12 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 45.04 2dux s LEU 15 CO 0.46 0.14 0.01 -0.83 -1.32 0.00 0.00 176.35 174.81 2dux s GLY 16 N 0.52 1.68 -0.21 7.98 0.00 -0.22 -4.30 107.32 112.76 2dux s GLY 16 Ca -0.05 -1.84 -0.17 0.00 0.00 0.00 0.00 44.72 42.66 2dux s GLY 16 CO 0.03 -1.70 0.45 -2.27 0.00 0.00 0.00 173.10 169.62 2dux s LEU 17 N -3.35 4.13 0.47 0.66 2.96 -0.39 -3.36 118.68 119.81 2dux s LEU 17 Ca 0.31 0.55 -0.11 0.00 -0.22 0.00 0.00 54.13 54.66 2dux s LEU 17 Cb 0.06 -2.60 -0.06 0.00 0.50 0.00 0.00 46.19 44.10 2dux s LEU 17 CO 0.11 -0.15 0.86 -0.83 -1.32 0.00 0.00 176.35 175.01 2dux s GLY 18 N 1.20 1.87 0.00 7.98 0.00 -0.33 -1.21 107.32 116.84 2dux s GLY 18 Ca 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.78 2dux s GLY 18 CO 0.09 0.07 0.31 -1.30 0.00 0.00 0.00 173.10 172.27 2dux n THR 19 N -1.69 0.09 -2.08 0.90 -2.24 -1.17 -4.09 114.28 103.99 2dux n THR 19 Ca 0.04 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 2dux n THR 19 Cb 0.54 1.42 -0.03 0.00 -2.10 0.00 0.00 70.33 70.16 2dux n THR 19 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2dux s TRP 20 N -0.09 2.67 0.00 4.78 -0.00 -1.26 -1.87 118.94 123.17 2dux s TRP 20 Ca 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 56.10 56.69 2dux s TRP 20 Cb 0.00 -3.81 0.00 0.00 -0.00 0.00 0.00 33.47 29.66 2dux s TRP 20 CO 0.00 -3.13 0.00 1.63 -0.00 0.00 0.00 176.95 175.45 2dux n LYS 21 N 5.39 0.00 -2.50 5.86 5.02 -1.26 -5.01 118.16 125.66 2dux n LYS 21 Ca 0.14 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.01 2dux n LYS 21 Cb 0.42 -2.20 -0.02 0.00 -0.02 0.00 0.00 35.03 33.21 2dux n LYS 21 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2dux s SER 22 N -2.61 7.03 0.51 4.39 0.01 -0.78 -4.95 113.70 117.29 2dux s SER 22 Ca 0.00 1.64 -0.23 0.00 1.31 0.00 0.00 55.95 58.67 2dux s SER 22 Cb 0.00 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.62 2dux s SER 22 CO 0.00 -0.68 1.34 -2.65 0.41 0.00 0.00 173.24 171.66 2dux n PRO 23 N 6.09 1.79 0.09 12.44 -0.02 -1.26 -4.70 135.00 149.43 2dux n PRO 23 Ca 0.12 0.65 0.05 0.00 -2.02 0.00 0.00 63.50 62.31 2dux n PRO 23 Cb 0.46 -2.53 0.49 0.00 -0.02 0.00 0.00 33.50 31.89 2dux n PRO 23 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2dux h PRO 24 N 1.64 0.35 0.00 0.52 0.13 -1.92 -0.64 132.00 132.08 2dux h PRO 24 Ca -0.50 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2dux h PRO 24 Cb 1.30 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2dux h PRO 24 CO 0.58 0.25 0.00 0.41 -0.23 0.00 0.00 178.00 179.01 2dux n GLY 25 N -1.45 -1.12 0.00 1.56 0.00 -1.26 -3.89 105.19 99.02 2dux n GLY 25 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2dux n GLY 25 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dux n GLN 26 N -1.25 1.20 0.15 1.61 6.02 -0.37 -4.82 117.38 119.91 2dux n GLN 26 Ca 0.14 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.14 2dux n GLN 26 Cb 0.20 -0.90 0.19 0.00 1.02 0.00 0.00 30.24 30.75 2dux n GLN 26 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 2dux h VAL 27 N 0.00 1.23 0.40 5.09 3.04 -1.33 -1.38 116.25 123.30 2dux h VAL 27 Ca 0.00 -2.04 -0.01 0.00 -1.01 0.00 0.00 66.70 63.64 2dux h VAL 27 Cb 0.00 2.16 -0.02 0.00 -2.01 0.00 0.00 31.29 31.42 2dux h VAL 27 CO 0.00 0.55 -0.33 0.74 -1.01 0.00 0.00 177.57 177.52 2dux h THR 28 N 0.00 0.32 -0.50 3.17 2.02 -1.76 0.85 112.91 117.01 2dux h THR 28 Ca -0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 2dux h THR 28 Cb 1.11 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 2dux h THR 28 CO 0.07 0.00 0.33 -0.08 0.37 0.00 0.00 175.52 176.22 2dux h GLU 29 N -0.74 0.62 -0.14 6.66 4.57 -1.88 -1.32 114.58 122.36 2dux h GLU 29 Ca -0.03 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2dux h GLU 29 Cb 0.64 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2dux h GLU 29 CO -0.02 0.41 0.07 0.00 -1.18 0.00 0.00 179.01 178.29 2dux h ALA 30 N 1.69 0.17 -0.14 2.92 0.00 -0.67 -1.40 119.26 121.84 2dux h ALA 30 Ca 0.19 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 2dux h ALA 30 Cb -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2dux h ALA 30 CO -0.04 -0.37 -0.48 0.28 0.00 0.00 0.00 179.25 178.64 2dux h VAL 31 N 0.15 1.33 0.10 0.00 2.07 -0.54 -1.69 116.25 117.68 2dux h VAL 31 Ca 0.06 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 2dux h VAL 31 Cb 0.01 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2dux h VAL 31 CO -0.04 0.51 -0.05 0.11 0.02 0.00 0.00 177.57 178.12 2dux h LYS 32 N 0.28 -0.13 -0.85 1.57 1.57 -0.91 -1.10 116.57 117.00 2dux h LYS 32 Ca 0.02 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2dux h LYS 32 Cb 0.94 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.23 2dux h LYS 32 CO 0.08 -0.09 0.54 0.28 -0.57 0.00 0.00 179.45 179.69 2dux h VAL 33 N -0.14 1.11 -0.23 0.50 2.07 -1.17 -1.00 116.25 117.39 2dux h VAL 33 Ca -0.01 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 2dux h VAL 33 Cb 0.11 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 2dux h VAL 33 CO 0.02 0.19 0.04 0.00 0.02 0.00 0.00 177.57 177.84 2dux h ALA 34 N 1.36 0.31 -0.62 1.67 0.00 -1.03 -0.81 119.26 120.14 2dux h ALA 34 Ca 0.34 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2dux h ALA 34 Cb 0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2dux h ALA 34 CO -0.13 -0.02 0.23 0.82 0.00 0.00 0.00 179.25 180.15 2dux h ILE 35 N 0.19 1.24 -0.83 0.00 2.04 -1.05 0.25 117.51 119.34 2dux h ILE 35 Ca 0.07 -0.76 0.13 0.00 1.00 0.00 0.00 64.86 65.30 2dux h ILE 35 Cb 0.32 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 2dux h ILE 35 CO 0.00 0.29 0.54 0.44 0.00 0.00 0.00 178.15 179.43 2dux h ASP 36 N 0.87 0.61 -0.42 1.72 3.32 -0.68 -2.58 116.42 119.27 2dux h ASP 36 Ca 0.20 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2dux h ASP 36 Cb 0.23 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2dux h ASP 36 CO -0.01 0.33 0.00 1.33 -1.72 0.00 0.00 179.24 179.17 2dux n VAL 37 N -4.53 0.58 0.00 -1.35 0.24 -0.35 -4.93 118.33 107.99 2dux n VAL 37 Ca 0.15 -0.79 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 2dux n VAL 37 Cb 0.42 0.91 0.00 0.00 -1.47 0.00 0.00 33.84 33.70 2dux n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dux n GLY 38 N 1.44 1.02 3.77 7.63 0.00 -0.74 -5.04 105.19 113.25 2dux n GLY 38 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2dux n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dux s TYR 39 N -0.92 2.95 0.00 1.61 1.51 -0.00 -4.88 117.35 117.61 2dux s TYR 39 Ca 0.00 1.30 0.00 0.00 -1.01 0.00 0.00 57.07 57.36 2dux s TYR 39 Cb 0.00 -3.77 0.00 0.00 -0.11 0.00 0.00 41.96 38.08 2dux s TYR 39 CO 0.00 -2.22 0.57 0.54 -1.11 0.00 0.00 175.55 173.33 2dux n ARG 40 N 1.00 0.59 -4.43 -0.62 5.12 -1.26 -4.24 116.66 112.81 2dux n ARG 40 Ca 0.01 -0.72 -0.24 0.00 -1.93 0.00 0.00 57.85 54.96 2dux n ARG 40 Cb 0.41 -0.83 -0.17 0.00 -1.16 0.00 0.00 32.46 30.71 2dux n ARG 40 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2dux s HIS 41 N -0.31 1.38 -0.12 -1.55 2.46 -1.26 0.21 115.29 116.11 2dux s HIS 41 Ca 0.00 -0.53 0.03 0.00 0.47 0.00 0.00 55.06 55.03 2dux s HIS 41 Cb 0.00 -1.05 0.01 0.00 -0.13 0.00 0.00 32.58 31.41 2dux s HIS 41 CO 0.00 -0.30 -0.21 0.42 -2.47 0.00 0.00 174.74 172.17 2dux s ILE 42 N 0.85 1.94 -0.27 0.89 -1.09 -0.88 -1.26 121.20 121.39 2dux s ILE 42 Ca -0.11 -0.93 -0.14 0.00 -2.23 0.00 0.00 60.65 57.24 2dux s ILE 42 Cb -0.15 -1.71 -0.04 0.00 -1.58 0.00 0.00 42.46 38.98 2dux s ILE 42 CO 0.01 0.53 0.33 -0.62 -1.23 0.00 0.00 174.94 173.96 2dux s ASP 43 N 0.64 6.19 0.33 3.58 2.15 -0.35 -1.53 116.67 127.68 2dux s ASP 43 Ca -0.12 0.21 0.07 0.00 0.43 0.00 0.00 52.55 53.14 2dux s ASP 43 Cb -0.16 -2.19 -0.06 0.00 -0.30 0.00 0.00 42.92 40.20 2dux s ASP 43 CO 0.03 -0.15 -0.03 0.00 -0.17 0.00 0.00 175.17 174.85 2dux s ALA 45 N -2.93 -1.81 0.35 0.00 0.00 -1.26 -3.64 121.76 112.47 2dux s ALA 45 Ca 0.33 1.76 0.06 0.00 0.00 0.00 0.00 51.96 54.11 2dux s ALA 45 Cb 0.06 -0.80 0.74 0.00 0.00 0.00 0.00 23.12 23.12 2dux s ALA 45 CO 0.15 -0.34 1.92 1.25 0.00 0.00 0.00 175.76 178.74 2dux h HIS 46 N 4.12 0.82 0.00 0.00 -0.00 -1.98 -0.94 115.15 117.17 2dux h HIS 46 Ca -0.28 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 2dux h HIS 46 Cb 1.16 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 28.30 2dux h HIS 46 CO 0.37 0.38 0.00 1.55 -0.00 0.00 0.00 177.93 180.24 2dux n VAL 47 N -4.51 0.88 0.97 5.26 3.14 -1.26 -2.20 118.33 120.61 2dux n VAL 47 Ca 0.14 0.23 0.14 0.00 -2.96 0.00 0.00 64.34 61.88 2dux n VAL 47 Cb 0.32 -1.09 0.60 0.00 -1.06 0.00 0.00 33.84 32.61 2dux n VAL 47 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 2dux n TYR 48 N -1.98 0.06 -2.50 1.45 4.01 -0.36 -4.91 117.16 112.93 2dux n TYR 48 Ca 0.03 0.02 -0.20 0.00 -0.16 0.00 0.00 57.90 57.58 2dux n TYR 48 Cb 0.21 -0.53 -0.00 0.00 -0.31 0.00 0.00 39.34 38.71 2dux n TYR 48 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2dux n GLN 49 N -1.55 -2.21 -0.19 -0.72 6.02 -0.93 -4.78 117.38 113.01 2dux n GLN 49 Ca 0.07 0.94 0.00 0.00 -0.01 0.00 0.00 57.00 58.00 2dux n GLN 49 Cb 0.34 -5.62 0.00 0.00 1.02 0.00 0.00 30.24 25.98 2dux n GLN 49 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2dux n ASN 50 N -2.06 0.06 0.07 1.08 2.04 -1.26 -4.89 115.26 110.30 2dux n ASN 50 Ca -0.21 -1.42 -0.02 0.00 -0.44 0.00 0.00 54.58 52.48 2dux n ASN 50 Cb 0.67 -0.08 0.24 0.00 -2.53 0.00 0.00 39.78 38.07 2dux n ASN 50 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 2dux h GLU 51 N 0.00 0.32 -0.18 -3.83 5.08 -1.87 -1.12 114.58 112.97 2dux h GLU 51 Ca 0.00 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2dux h GLU 51 Cb 1.15 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.34 2dux h GLU 51 CO 0.00 0.61 -0.08 -2.95 -1.00 0.00 0.00 179.01 175.59 2dux h ASN 52 N 0.28 -0.26 -0.50 1.42 -1.07 -1.91 0.08 115.58 113.63 2dux h ASN 52 Ca 0.04 0.07 -0.13 0.00 0.07 0.00 0.00 56.30 56.34 2dux h ASN 52 Cb 0.71 0.15 -0.01 0.00 -2.07 0.00 0.00 38.32 37.09 2dux h ASN 52 CO 0.05 -0.10 -0.20 -0.33 0.07 0.00 0.00 177.43 176.92 2dux h GLU 53 N -0.05 1.01 -0.72 4.14 3.07 -1.77 -1.28 114.58 118.99 2dux h GLU 53 Ca 0.10 -0.42 0.05 0.00 -0.50 0.00 0.00 59.36 58.59 2dux h GLU 53 Cb 0.20 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.01 2dux h GLU 53 CO -0.22 1.11 0.42 0.28 -1.40 0.00 0.00 179.01 179.20 2dux h VAL 54 N 0.88 1.01 -0.42 3.13 2.07 -1.02 -2.58 116.25 119.32 2dux h VAL 54 Ca 0.12 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 2dux h VAL 54 Cb 0.78 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2dux h VAL 54 CO 0.06 0.14 0.03 1.23 0.02 0.00 0.00 177.57 179.06 2dux h GLY 55 N 0.78 0.70 0.68 2.17 0.00 -0.36 -2.03 103.07 105.01 2dux h GLY 55 Ca 0.31 -0.42 0.07 0.00 0.00 0.00 0.00 47.33 47.29 2dux h GLY 55 CO -0.17 0.39 0.48 -2.08 0.00 0.00 0.00 176.54 175.17 2dux h VAL 56 N 0.63 1.00 -0.53 4.60 2.07 -0.85 -0.92 116.25 122.25 2dux h VAL 56 Ca 0.13 -0.30 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 2dux h VAL 56 Cb 0.34 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2dux h VAL 56 CO 0.01 0.16 -0.11 0.00 0.02 0.00 0.00 177.57 177.65 2dux h ALA 57 N 1.40 0.81 -0.21 1.67 0.00 -1.27 -1.66 119.26 120.00 2dux h ALA 57 Ca 0.36 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2dux h ALA 57 Cb 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2dux h ALA 57 CO -0.19 0.66 -0.02 0.82 0.00 0.00 0.00 179.25 180.52 2dux h ILE 58 N 0.88 1.27 -0.54 0.00 2.04 -1.07 -1.76 117.51 118.33 2dux h ILE 58 Ca 0.14 -0.95 -0.06 0.00 1.00 0.00 0.00 64.86 64.98 2dux h ILE 58 Cb 0.66 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 2dux h ILE 58 CO 0.05 0.29 0.08 -0.61 0.00 0.00 0.00 178.15 177.96 2dux h GLN 59 N 0.12 0.86 -0.25 2.37 5.75 -1.13 0.10 115.11 122.94 2dux h GLN 59 Ca 0.06 -0.20 -0.16 0.00 -0.15 0.00 0.00 58.65 58.19 2dux h GLN 59 Cb 0.45 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 2dux h GLN 59 CO 0.02 0.81 -0.49 1.49 -2.65 0.00 0.00 178.83 178.01 2dux h GLU 60 N 0.82 0.67 0.00 1.69 4.57 -1.17 0.40 114.58 121.57 2dux h GLU 60 Ca 0.17 -0.39 -0.11 0.00 -1.18 0.00 0.00 59.36 57.84 2dux h GLU 60 Cb 0.37 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 2dux h GLU 60 CO 0.01 1.01 -0.53 0.87 -1.18 0.00 0.00 179.01 179.18 2dux h LYS 61 N 0.53 0.00 -0.19 1.92 1.79 -1.05 0.41 116.57 119.99 2dux h LYS 61 Ca 0.03 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.38 2dux h LYS 61 Cb 1.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2dux h LYS 61 CO 0.10 0.53 -0.34 -0.07 -1.08 0.00 0.00 179.45 178.59 2dux h LEU 62 N 0.00 0.62 -0.53 2.94 3.38 -0.80 -1.59 115.31 119.34 2dux h LEU 62 Ca -0.01 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 57.44 2dux h LEU 62 Cb 1.02 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 2dux h LEU 62 CO 0.07 1.05 0.34 -0.09 0.09 0.00 0.00 178.44 179.90 2dux h ARG 63 N 0.23 0.67 0.00 1.13 2.43 -0.72 -1.57 114.38 116.56 2dux h ARG 63 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2dux h ARG 63 Cb 0.93 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 2dux h ARG 63 CO 0.08 0.44 0.00 0.39 -1.51 0.00 0.00 179.97 179.37 2dux n GLU 64 N -4.74 0.20 -2.69 0.20 1.02 0.12 -4.88 120.64 109.87 2dux n GLU 64 Ca 0.03 0.15 -0.21 0.00 -0.02 0.00 0.00 57.16 57.12 2dux n GLU 64 Cb 0.04 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 29.97 2dux n GLU 64 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2dux n GLN 65 N -1.28 -3.22 0.06 3.49 6.02 -0.59 -4.88 117.38 116.99 2dux n GLN 65 Ca 0.07 0.92 -0.06 0.00 -0.01 0.00 0.00 57.00 57.92 2dux n GLN 65 Cb 0.11 -5.63 0.10 0.00 1.02 0.00 0.00 30.24 25.84 2dux n GLN 65 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2dux h VAL 66 N -0.70 1.37 -3.76 5.09 2.07 -1.54 -3.46 116.25 115.32 2dux h VAL 66 Ca -0.50 -1.94 -0.10 0.00 0.82 0.00 0.00 66.70 64.98 2dux h VAL 66 Cb 1.35 1.95 -0.16 0.00 -1.52 0.00 0.00 31.29 32.92 2dux h VAL 66 CO 0.56 0.58 -0.42 0.68 0.02 0.00 0.00 177.57 178.99 2dux s VAL 67 N -3.81 0.14 0.17 2.57 -7.23 -1.22 -5.07 120.40 105.95 2dux s VAL 67 Ca -0.05 -1.13 -0.06 0.00 -1.81 0.00 0.00 61.98 58.94 2dux s VAL 67 Cb 0.12 -1.16 -0.06 0.00 0.56 0.00 0.00 36.38 35.84 2dux s VAL 67 CO 0.81 -0.62 0.43 -0.54 -0.31 0.00 0.00 175.10 174.87 2dux s LYS 68 N -3.29 3.66 0.46 4.82 1.02 -1.26 -4.47 119.74 120.69 2dux s LYS 68 Ca 0.01 0.00 0.16 0.00 0.02 0.00 0.00 55.97 56.16 2dux s LYS 68 Cb 0.02 -2.79 1.12 0.00 -0.52 0.00 0.00 37.83 35.66 2dux s LYS 68 CO -0.08 0.42 1.99 -0.09 -0.92 0.00 0.00 175.35 176.67 2dux h ARG 69 N 2.68 0.30 0.00 1.68 9.65 -1.96 -1.00 114.38 125.73 2dux h ARG 69 Ca -0.46 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.37 2dux h ARG 69 Cb 1.17 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.68 2dux h ARG 69 CO 0.71 0.20 -0.14 0.93 2.80 0.00 0.00 179.97 184.47 2dux h GLU 70 N 0.31 0.00 0.00 0.20 4.39 -2.03 -2.28 114.58 115.17 2dux h GLU 70 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 2dux h GLU 70 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2dux h GLU 70 CO -0.06 0.14 -0.22 0.39 -1.16 0.00 0.00 179.01 178.09 2dux n GLU 71 N -3.47 0.20 -3.60 2.33 1.02 -0.38 -4.86 120.64 111.89 2dux n GLU 71 Ca -0.01 0.12 -0.33 0.00 -0.02 0.00 0.00 57.16 56.93 2dux n GLU 71 Cb 0.30 -1.69 -0.05 0.00 -0.02 0.00 0.00 31.44 29.98 2dux n GLU 71 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dux s LEU 72 N -4.06 4.27 -0.33 -4.62 1.43 -0.86 -4.84 118.68 109.68 2dux s LEU 72 Ca 0.10 0.71 0.01 0.00 -1.03 0.00 0.00 54.13 53.92 2dux s LEU 72 Cb 0.14 -3.27 0.10 0.00 0.03 0.00 0.00 46.19 43.19 2dux s LEU 72 CO 0.63 0.07 0.10 0.12 0.23 0.00 0.00 176.35 177.50 2dux s PHE 73 N -1.60 2.25 -0.21 0.29 2.19 0.13 -4.95 117.98 116.08 2dux s PHE 73 Ca 0.40 -2.12 -0.06 0.00 0.33 0.00 0.00 56.93 55.47 2dux s PHE 73 Cb -0.13 -2.04 -0.03 0.00 -1.31 0.00 0.00 43.02 39.52 2dux s PHE 73 CO 0.22 -0.89 0.03 0.42 1.83 0.00 0.00 175.22 176.84 2dux s ILE 74 N 1.32 4.21 -0.08 3.12 -1.09 -1.26 -2.07 121.20 125.35 2dux s ILE 74 Ca 0.11 -0.22 0.03 0.00 -2.23 0.00 0.00 60.65 58.34 2dux s ILE 74 Cb -0.18 -2.93 -0.02 0.00 -1.58 0.00 0.00 42.46 37.75 2dux s ILE 74 CO -0.19 0.40 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.08 2dux s VAL 75 N 1.10 2.90 0.33 2.92 1.01 -0.58 -1.29 120.40 126.79 2dux s VAL 75 Ca 0.03 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.32 2dux s VAL 75 Cb -0.14 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2dux s VAL 75 CO 0.02 0.56 0.30 -0.55 0.00 0.00 0.00 175.10 175.43 2dux s SER 76 N -0.26 1.66 -0.02 3.32 0.15 -0.83 -0.40 113.70 117.31 2dux s SER 76 Ca 0.01 -1.75 -0.04 0.00 0.70 0.00 0.00 55.95 54.87 2dux s SER 76 Cb -0.13 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 64.75 2dux s SER 76 CO 0.03 -1.09 0.09 -0.54 1.20 0.00 0.00 173.24 172.93 2dux s LYS 77 N -3.39 0.19 -0.20 5.44 1.02 -1.24 -1.39 119.74 120.18 2dux s LYS 77 Ca 0.40 -0.02 -0.27 0.00 0.02 0.00 0.00 55.97 56.09 2dux s LYS 77 Cb 0.02 0.08 -0.00 0.00 -0.52 0.00 0.00 37.83 37.41 2dux s LYS 77 CO 0.28 -0.03 0.95 -1.17 -0.92 0.00 0.00 175.35 174.45 2dux s LEU 78 N -0.33 4.14 0.59 3.17 2.96 0.69 -3.94 118.68 125.95 2dux s LEU 78 Ca -0.04 1.29 -0.14 0.00 -0.22 0.00 0.00 54.13 55.02 2dux s LEU 78 Cb -0.03 -3.41 -0.04 0.00 0.50 0.00 0.00 46.19 43.21 2dux s LEU 78 CO 0.00 -0.54 1.03 0.86 -1.32 0.00 0.00 176.35 176.38 2dux s TRP 79 N 2.70 3.28 0.55 5.38 -0.11 -1.26 -1.78 118.94 127.71 2dux s TRP 79 Ca 0.42 1.44 0.27 0.00 1.22 0.00 0.00 56.10 59.45 2dux s TRP 79 Cb -0.16 -2.86 1.45 0.00 -1.50 0.00 0.00 33.47 30.40 2dux s TRP 79 CO 0.10 -0.79 1.98 0.00 -4.62 0.00 0.00 176.95 173.61 2dux n THR 81 N -4.18 0.22 -1.47 0.00 -2.24 -1.26 -0.99 114.28 104.35 2dux n THR 81 Ca 0.09 -0.23 0.07 0.00 -2.27 0.00 0.00 64.05 61.72 2dux n THR 81 Cb 0.62 0.11 0.15 0.00 -2.10 0.00 0.00 70.33 69.11 2dux n THR 81 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2dux n TYR 82 N -0.02 0.00 0.31 4.78 4.01 -0.86 -4.16 117.16 121.23 2dux n TYR 82 Ca 0.07 -1.07 0.15 0.00 -0.16 0.00 0.00 57.90 56.89 2dux n TYR 82 Cb 0.15 -0.18 0.55 0.00 -0.31 0.00 0.00 39.34 39.56 2dux n TYR 82 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2dux h HIS 83 N 0.47 0.00 -3.97 -0.72 3.86 -1.73 -3.33 115.15 109.74 2dux h HIS 83 Ca -0.02 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.65 2dux h HIS 83 Cb 1.11 0.00 0.11 0.00 1.06 0.00 0.00 27.41 29.69 2dux h HIS 83 CO 0.32 0.00 0.70 -1.21 0.86 0.00 0.00 177.93 178.60 2dux s GLU 84 N -3.50 3.83 0.29 2.45 8.01 -1.26 -4.54 118.70 123.97 2dux s GLU 84 Ca 0.03 2.39 0.02 0.00 0.01 0.00 0.00 54.97 57.42 2dux s GLU 84 Cb 0.09 -2.74 0.57 0.00 -4.31 0.00 0.00 34.13 27.74 2dux s GLU 84 CO 0.54 -0.69 1.84 1.57 0.01 0.00 0.00 175.26 178.53 2dux h LYS 85 N 2.53 0.95 0.00 1.61 5.09 -1.90 -1.01 116.57 123.84 2dux h LYS 85 Ca -0.51 -0.06 0.00 0.00 0.09 0.00 0.00 60.65 60.18 2dux h LYS 85 Cb 1.26 -0.21 0.00 0.00 0.10 0.00 0.00 32.23 33.37 2dux h LYS 85 CO 0.62 0.63 0.00 0.41 -2.09 0.00 0.00 179.45 179.02 2dux n GLY 86 N -1.36 -0.92 0.01 0.07 0.00 -1.26 -3.60 105.19 98.14 2dux n GLY 86 Ca 0.19 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.07 2dux n GLY 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dux n LEU 87 N -1.07 0.00 -0.19 0.99 4.77 -0.40 -4.70 117.00 116.40 2dux n LEU 87 Ca 0.19 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.10 2dux n LEU 87 Cb 0.12 0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2dux n LEU 87 CO 0.16 0.03 1.08 0.58 -1.33 0.00 0.00 177.39 177.92 2dux h VAL 88 N 0.00 1.16 -0.30 4.08 2.07 -1.58 -1.83 116.25 119.86 2dux h VAL 88 Ca -0.04 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 2dux h VAL 88 Cb 0.57 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2dux h VAL 88 CO 0.00 0.16 -0.21 0.50 0.02 0.00 0.00 177.57 178.05 2dux h LYS 89 N 0.74 0.67 -0.67 1.57 3.64 -1.84 -1.21 116.57 119.48 2dux h LYS 89 Ca 0.20 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2dux h LYS 89 Cb -0.03 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 2dux h LYS 89 CO -0.04 0.92 0.41 0.78 -2.27 0.00 0.00 179.45 179.26 2dux h GLY 90 N 0.42 0.96 1.03 5.01 0.00 -1.83 0.18 103.07 108.85 2dux h GLY 90 Ca 0.06 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 2dux h GLY 90 CO 0.06 0.37 0.12 0.00 0.00 0.00 0.00 176.54 177.09 2dux h ALA 91 N 1.54 0.81 -0.44 3.60 0.00 -1.08 0.18 119.26 123.87 2dux h ALA 91 Ca 0.24 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 2dux h ALA 91 Cb -0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2dux h ALA 91 CO -0.05 0.55 -0.02 0.00 0.00 0.00 0.00 179.25 179.74 2dux h GLN 93 N 0.62 0.74 -0.35 0.00 1.08 -0.42 0.76 115.11 117.54 2dux h GLN 93 Ca 0.12 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 2dux h GLN 93 Cb 0.52 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 2dux h GLN 93 CO 0.03 0.55 0.10 -0.22 -0.95 0.00 0.00 178.83 178.33 2dux h LYS 94 N 0.75 0.56 -0.67 1.46 1.63 -0.87 0.15 116.57 119.59 2dux h LYS 94 Ca 0.19 -0.13 0.04 0.00 -0.85 0.00 0.00 60.65 59.90 2dux h LYS 94 Cb 0.02 -0.08 -0.05 0.00 -0.60 0.00 0.00 32.23 31.53 2dux h LYS 94 CO -0.03 0.60 0.41 1.15 -3.45 0.00 0.00 179.45 178.13 2dux h THR 95 N 0.42 1.06 -0.48 1.00 2.02 -1.00 -0.12 112.91 115.82 2dux h THR 95 Ca 0.11 -0.27 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 2dux h THR 95 Cb 0.28 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2dux h THR 95 CO -0.00 0.14 0.06 -0.07 0.37 0.00 0.00 175.52 176.02 2dux h LEU 96 N 0.79 0.78 -0.14 2.58 3.38 -0.55 -0.70 115.31 121.45 2dux h LEU 96 Ca 0.28 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2dux h LEU 96 Cb 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2dux h LEU 96 CO -0.12 0.85 0.08 0.28 0.09 0.00 0.00 178.44 179.62 2dux h SER 97 N 0.67 0.13 -0.71 -0.43 0.02 -0.63 -0.58 113.55 112.03 2dux h SER 97 Ca 0.14 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2dux h SER 97 Cb 0.42 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 2dux h SER 97 CO 0.01 0.10 0.37 0.44 -1.14 0.00 0.00 176.83 176.61 2dux h ASP 98 N 0.17 0.90 0.71 3.07 3.32 -0.87 -2.69 116.42 121.03 2dux h ASP 98 Ca 0.05 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.99 2dux h ASP 98 Cb -0.01 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.31 2dux h ASP 98 CO -0.02 0.76 0.00 0.18 -1.72 0.00 0.00 179.24 178.43 2dux n LEU 99 N -4.46 0.00 -3.66 1.55 4.77 -0.28 -3.99 117.00 110.92 2dux n LEU 99 Ca 0.06 0.44 -0.23 0.00 -0.03 0.00 0.00 56.01 56.25 2dux n LEU 99 Cb 0.11 -0.44 0.05 0.00 -2.33 0.00 0.00 43.42 40.81 2dux n LEU 99 CO 0.38 -0.08 0.08 0.29 -1.33 0.00 0.00 177.39 176.73 2dux n LYS 100 N -1.44 -6.11 -4.35 3.23 5.02 -0.36 -4.46 118.16 109.69 2dux n LYS 100 Ca 0.07 0.71 -0.25 0.00 -2.02 0.00 0.00 58.31 56.83 2dux n LYS 100 Cb 0.25 -5.56 -0.09 0.00 -0.02 0.00 0.00 35.03 29.61 2dux n LYS 100 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dux s LEU 101 N -6.87 2.89 0.00 -0.35 1.43 -0.44 -4.89 118.68 110.45 2dux s LEU 101 Ca 0.27 -0.74 0.20 0.00 -1.03 0.00 0.00 54.13 52.84 2dux s LEU 101 Cb -0.13 -1.49 -0.18 0.00 0.03 0.00 0.00 46.19 44.41 2dux s LEU 101 CO 0.78 0.06 0.87 0.47 0.23 0.00 0.00 176.35 178.76 2dux n ASP 102 N -0.39 1.08 -3.77 2.29 8.00 -1.26 -4.51 116.55 118.00 2dux n ASP 102 Ca -0.08 -1.04 -0.10 0.00 0.71 0.00 0.00 54.79 54.28 2dux n ASP 102 Cb 0.58 0.92 -0.06 0.00 -0.02 0.00 0.00 41.12 42.54 2dux n ASP 102 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2dux s TYR 103 N -2.79 -0.01 0.02 1.24 -0.85 -1.26 -4.75 117.35 108.95 2dux s TYR 103 Ca 0.09 -0.32 -0.01 0.00 -0.52 0.00 0.00 57.07 56.31 2dux s TYR 103 Cb 0.15 0.07 -0.04 0.00 0.38 0.00 0.00 41.96 42.52 2dux s TYR 103 CO 0.77 -0.58 0.15 -0.51 -1.52 0.00 0.00 175.55 173.86 2dux s LEU 104 N -2.68 4.18 0.16 -3.49 1.43 -0.51 -4.98 118.68 112.79 2dux s LEU 104 Ca 0.02 0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.42 2dux s LEU 104 Cb 0.03 -2.61 -0.06 0.00 0.03 0.00 0.00 46.19 43.57 2dux s LEU 104 CO -0.10 0.23 1.36 0.44 0.23 0.00 0.00 176.35 178.51 2dux h ASP 105 N 3.61 0.08 -3.52 2.29 3.32 -1.54 -0.03 116.42 120.63 2dux h ASP 105 Ca -0.48 -0.07 -0.16 0.00 0.02 0.00 0.00 57.03 56.34 2dux h ASP 105 Cb 1.18 -0.02 -0.27 0.00 0.22 0.00 0.00 39.33 40.43 2dux h ASP 105 CO 0.69 0.95 -0.39 -0.22 -1.72 0.00 0.00 179.24 178.54 2dux s LEU 106 N -7.06 0.48 -0.07 1.55 2.96 -1.11 -2.40 118.68 113.03 2dux s LEU 106 Ca -0.01 0.64 0.02 0.00 -0.22 0.00 0.00 54.13 54.56 2dux s LEU 106 Cb 0.10 0.99 0.01 0.00 0.50 0.00 0.00 46.19 47.80 2dux s LEU 106 CO 0.81 -0.15 -0.11 -0.47 -1.32 0.00 0.00 176.35 175.12 2dux s TYR 107 N 0.84 1.37 0.00 5.38 5.04 -0.69 -1.97 117.35 127.33 2dux s TYR 107 Ca -0.06 -0.51 0.04 0.00 -2.44 0.00 0.00 57.07 54.11 2dux s TYR 107 Cb -0.07 -1.03 -0.03 0.00 0.35 0.00 0.00 41.96 41.18 2dux s TYR 107 CO -0.06 -0.28 -0.12 -0.51 -1.34 0.00 0.00 175.55 173.25 2dux s LEU 108 N 0.75 2.91 -0.23 6.97 1.43 -0.48 -1.36 118.68 128.66 2dux s LEU 108 Ca -0.13 -0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 2dux s LEU 108 Cb -0.15 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 2dux s LEU 108 CO 0.03 0.29 1.44 -0.63 0.23 0.00 0.00 176.35 177.70 2dux s ILE 109 N -0.92 3.96 0.20 -0.59 1.01 0.15 -0.22 121.20 124.78 2dux s ILE 109 Ca 0.15 1.10 -0.07 0.00 0.00 0.00 0.00 60.65 61.83 2dux s ILE 109 Cb -0.11 -3.92 0.07 0.00 0.01 0.00 0.00 42.46 38.51 2dux s ILE 109 CO 0.05 -0.33 1.66 -0.74 0.00 0.00 0.00 174.94 175.58 2dux h HIS 110 N 9.70 1.06 -3.43 3.97 2.76 -1.63 -1.31 115.15 126.26 2dux h HIS 110 Ca -0.30 -0.19 -0.15 0.00 -2.20 0.00 0.00 60.37 57.54 2dux h HIS 110 Cb 1.12 -0.27 -0.21 0.00 1.55 0.00 0.00 27.41 29.60 2dux h HIS 110 CO 0.88 0.96 -0.47 -1.58 -1.30 0.00 0.00 177.93 176.43 2dux s TRP 111 N -4.93 -0.02 -0.46 5.26 0.52 -1.25 -4.35 118.94 113.71 2dux s TRP 111 Ca -0.11 -0.00 0.24 0.00 0.02 0.00 0.00 56.10 56.25 2dux s TRP 111 Cb 0.14 -0.02 0.99 0.00 -1.15 0.00 0.00 33.47 33.43 2dux s TRP 111 CO 0.85 -0.27 1.71 -0.35 0.02 0.00 0.00 176.95 178.91 2dux n PRO 112 N 1.64 0.20 -3.23 4.98 -0.04 -1.26 -4.73 135.00 132.57 2dux n PRO 112 Ca -0.21 0.43 -0.39 0.00 -0.04 0.00 0.00 63.50 63.29 2dux n PRO 112 Cb 0.56 -1.88 -0.06 0.00 -0.04 0.00 0.00 33.50 32.08 2dux n PRO 112 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2dux s THR 113 N -3.33 5.11 0.02 0.52 -4.23 -1.26 -4.70 115.64 107.77 2dux s THR 113 Ca 0.04 1.02 -0.18 0.00 -1.18 0.00 0.00 61.69 61.39 2dux s THR 113 Cb 0.09 -3.86 -0.06 0.00 1.34 0.00 0.00 72.50 70.01 2dux s THR 113 CO 0.39 0.20 0.51 -0.83 -0.54 0.00 0.00 174.62 174.35 2dux s GLY 114 N 1.02 2.57 0.18 3.99 0.00 -1.26 -4.58 107.32 109.25 2dux s GLY 114 Ca 0.26 -0.07 0.09 0.00 0.00 0.00 0.00 44.72 44.99 2dux s GLY 114 CO 0.10 0.42 -0.08 -1.36 0.00 0.00 0.00 173.10 172.18 2dux s PHE 115 N -0.82 2.66 0.09 1.90 0.08 -0.16 -1.43 117.98 120.31 2dux s PHE 115 Ca 0.27 -0.21 -0.36 0.00 0.12 0.00 0.00 56.93 56.75 2dux s PHE 115 Cb -0.18 -1.30 -0.16 0.00 -0.57 0.00 0.00 43.02 40.81 2dux s PHE 115 CO 0.16 0.51 1.42 1.17 -0.10 0.00 0.00 175.22 178.38 2dux n LYS 116 N 0.01 1.41 -2.16 0.44 4.81 -0.10 -4.19 118.16 118.37 2dux n LYS 116 Ca -0.10 0.51 -0.37 0.00 -0.87 0.00 0.00 58.31 57.48 2dux n LYS 116 Cb 0.55 -2.19 0.00 0.00 0.02 0.00 0.00 35.03 33.42 2dux n LYS 116 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2dux s PRO 117 N 0.71 3.52 0.00 1.64 0.02 -1.26 -4.77 135.00 134.87 2dux s PRO 117 Ca 0.83 1.83 0.00 0.00 0.02 0.00 0.00 61.00 63.68 2dux s PRO 117 Cb -0.88 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 31.36 2dux s PRO 117 CO 0.45 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.77 2dux n GLY 118 N 0.45 -2.33 0.24 0.52 0.00 -1.26 -4.96 105.19 97.85 2dux n GLY 118 Ca 0.09 -1.26 0.14 0.00 0.00 0.00 0.00 46.02 44.99 2dux n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dux h LYS 119 N 0.00 0.00 -6.08 1.61 1.57 -1.99 -3.44 116.57 108.24 2dux h LYS 119 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2dux h LYS 119 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2dux h LYS 119 CO 0.00 0.02 0.37 -1.21 -0.57 0.00 0.00 179.45 178.06 2dux s GLU 120 N -3.37 4.38 0.21 3.15 2.02 -1.26 -4.95 118.70 118.88 2dux s GLU 120 Ca 0.05 1.12 0.00 0.00 0.02 0.00 0.00 54.97 56.16 2dux s GLU 120 Cb 0.07 -3.53 0.17 0.00 0.10 0.00 0.00 34.13 30.93 2dux s GLU 120 CO 0.63 -0.22 1.52 0.74 0.02 0.00 0.00 175.26 177.95 2dux h PHE 121 N 7.12 0.52 -2.49 1.61 0.04 -1.94 -3.34 116.94 118.46 2dux h PHE 121 Ca -0.33 -0.19 -0.60 0.00 2.80 0.00 0.00 57.97 59.65 2dux h PHE 121 Cb 1.16 -0.09 -0.40 0.00 2.20 0.00 0.00 35.95 38.81 2dux h PHE 121 CO 0.70 0.89 -0.77 1.19 -0.60 0.00 0.00 178.31 179.72 2dux n PHE 122 N -3.92 1.69 -2.12 -0.55 3.72 -1.26 -4.71 117.46 110.32 2dux n PHE 122 Ca -0.03 -3.90 -0.42 0.00 -0.05 0.00 0.00 57.45 53.05 2dux n PHE 122 Cb 0.62 -0.34 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 2dux n PHE 122 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2dux s PRO 123 N -1.30 4.30 0.22 -1.08 0.04 -1.25 -4.96 135.00 130.97 2dux s PRO 123 Ca 0.32 2.14 0.11 0.00 0.04 0.00 0.00 61.00 63.62 2dux s PRO 123 Cb 0.06 -3.21 -0.05 0.00 0.04 0.00 0.00 34.50 31.34 2dux s PRO 123 CO -0.13 -0.45 -0.22 -0.51 0.04 0.00 0.00 177.00 175.73 2dux s LEU 124 N 0.89 2.49 0.00 -3.56 1.43 -1.26 -0.78 118.68 117.89 2dux s LEU 124 Ca 0.64 -0.93 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 2dux s LEU 124 Cb -0.38 -1.11 0.17 0.00 0.03 0.00 0.00 46.19 44.89 2dux s LEU 124 CO 0.32 0.07 1.05 -0.90 0.23 0.00 0.00 176.35 177.12 2dux n ASP 125 N -0.05 0.68 0.27 2.29 5.68 0.04 -4.84 116.55 120.61 2dux n ASP 125 Ca -0.10 -1.74 0.18 0.00 -0.50 0.00 0.00 54.79 52.62 2dux n ASP 125 Cb 0.58 -0.75 0.76 0.00 -1.14 0.00 0.00 41.12 40.57 2dux n ASP 125 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2dux h GLU 126 N 0.00 0.00 -0.49 0.11 5.08 -2.01 -1.46 114.58 115.81 2dux h GLU 126 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2dux h GLU 126 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2dux h GLU 126 CO 0.30 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.74 2dux n SER 127 N -2.97 3.07 0.00 1.42 7.64 -1.26 -4.96 113.62 116.56 2dux n SER 127 Ca 0.00 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 57.92 2dux n SER 127 Cb 0.25 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2dux n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dux n GLY 128 N 1.43 0.69 3.79 0.23 0.00 -0.55 -5.05 105.19 105.73 2dux n GLY 128 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 2dux n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dux s ASN 129 N -2.73 7.30 0.42 1.61 0.01 -1.26 -4.70 114.94 115.59 2dux s ASN 129 Ca 0.00 1.57 -0.26 0.00 -0.71 0.00 0.00 52.86 53.47 2dux s ASN 129 Cb 0.00 -2.47 -0.09 0.00 0.41 0.00 0.00 41.25 39.10 2dux s ASN 129 CO 0.00 0.18 1.36 0.54 -1.51 0.00 0.00 177.10 177.66 2dux s VAL 130 N -1.23 2.39 -0.38 1.60 0.11 -0.77 -0.78 120.40 121.34 2dux s VAL 130 Ca 0.37 0.35 -0.20 0.00 -2.93 0.00 0.00 61.98 59.56 2dux s VAL 130 Cb -0.21 -3.20 0.01 0.00 -1.53 0.00 0.00 36.38 31.44 2dux s VAL 130 CO 0.25 0.05 0.64 -0.69 -3.33 0.00 0.00 175.10 172.01 2dux s VAL 131 N -1.24 4.87 0.84 2.04 1.01 0.04 -4.81 120.40 123.15 2dux s VAL 131 Ca 0.58 0.44 -0.11 0.00 0.00 0.00 0.00 61.98 62.90 2dux s VAL 131 Cb -0.40 -4.11 0.10 0.00 0.00 0.00 0.00 36.38 31.96 2dux s VAL 131 CO 0.52 -0.40 1.09 -2.84 0.00 0.00 0.00 175.10 173.47 2dux s PRO 132 N 2.75 1.72 0.13 2.72 0.02 -1.26 -0.93 135.00 140.14 2dux s PRO 132 Ca 0.24 1.03 0.04 0.00 0.02 0.00 0.00 61.00 62.33 2dux s PRO 132 Cb -0.14 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 2dux s PRO 132 CO 0.16 -1.98 0.14 -1.54 -0.33 0.00 0.00 177.00 173.45 2dux s SER 133 N -3.36 5.66 -0.06 2.53 1.04 -0.51 -3.62 113.70 115.37 2dux s SER 133 Ca 0.62 -0.04 0.02 0.00 0.48 0.00 0.00 55.95 57.04 2dux s SER 133 Cb -0.18 -1.53 0.17 0.00 0.10 0.00 0.00 66.02 64.58 2dux s SER 133 CO 0.57 0.10 0.88 -0.67 0.98 0.00 0.00 173.24 175.10 2dux n ASP 134 N -0.10 2.33 -4.87 7.02 -0.08 -1.26 -4.76 116.55 114.83 2dux n ASP 134 Ca -0.08 -2.24 -0.31 0.00 -1.51 0.00 0.00 54.79 50.65 2dux n ASP 134 Cb 0.53 -0.55 -0.04 0.00 2.34 0.00 0.00 41.12 43.41 2dux n ASP 134 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2dux s THR 135 N -1.20 4.80 0.31 5.18 -4.23 -1.26 -5.09 115.64 114.15 2dux s THR 135 Ca 0.12 0.61 0.10 0.00 -1.18 0.00 0.00 61.69 61.34 2dux s THR 135 Cb 0.09 -3.70 -0.05 0.00 1.34 0.00 0.00 72.50 70.18 2dux s THR 135 CO 0.03 -0.41 -0.09 0.54 -0.54 0.00 0.00 174.62 174.15 2dux s ASN 136 N -2.95 3.90 0.39 3.99 4.22 -1.26 -4.73 114.94 118.50 2dux s ASN 136 Ca 0.51 -1.02 0.06 0.00 -2.14 0.00 0.00 52.86 50.27 2dux s ASN 136 Cb -0.10 -0.44 0.79 0.00 1.28 0.00 0.00 41.25 42.78 2dux s ASN 136 CO 0.28 -0.10 2.03 0.16 -2.04 0.00 0.00 177.10 177.43 2dux h ILE 137 N 2.04 1.13 -0.28 0.54 3.07 -1.99 -2.43 117.51 119.59 2dux h ILE 137 Ca -0.42 -0.27 -0.05 0.00 1.55 0.00 0.00 64.86 65.67 2dux h ILE 137 Cb 1.25 0.49 -0.01 0.00 -0.27 0.00 0.00 36.82 38.29 2dux h ILE 137 CO 0.65 0.13 -0.04 -0.07 -1.05 0.00 0.00 178.15 177.76 2dux h LEU 138 N 0.61 0.52 -0.76 0.16 3.38 -1.96 0.26 115.31 117.52 2dux h LEU 138 Ca 0.16 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 2dux h LEU 138 Cb -0.03 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2dux h LEU 138 CO -0.03 0.74 -0.31 0.44 0.09 0.00 0.00 178.44 179.37 2dux h ASP 139 N 0.29 0.61 -0.62 -0.43 3.32 -1.95 -1.12 116.42 116.52 2dux h ASP 139 Ca 0.07 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 2dux h ASP 139 Cb 0.50 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 2dux h ASP 139 CO 0.02 0.88 0.38 0.74 -1.72 0.00 0.00 179.24 179.54 2dux h THR 140 N 0.51 1.18 -0.75 0.35 2.02 -1.17 -1.88 112.91 113.17 2dux h THR 140 Ca 0.06 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.81 2dux h THR 140 Cb 0.78 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 2dux h THR 140 CO 0.06 0.18 0.30 -0.25 0.37 0.00 0.00 175.52 176.18 2dux h TRP 141 N 0.84 1.15 -0.90 3.16 2.91 -0.05 -0.74 115.95 122.32 2dux h TRP 141 Ca 0.22 -0.09 0.05 0.00 1.13 0.00 0.00 58.89 60.20 2dux h TRP 141 Cb -0.03 -0.34 -0.05 0.00 -0.51 0.00 0.00 29.16 28.22 2dux h TRP 141 CO -0.02 0.88 0.59 0.00 -1.03 0.00 0.00 178.44 178.85 2dux h ALA 142 N 1.15 1.48 -0.75 2.65 0.00 -0.87 0.41 119.26 123.32 2dux h ALA 142 Ca 0.25 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2dux h ALA 142 Cb 0.22 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2dux h ALA 142 CO -0.02 0.41 0.24 0.00 0.00 0.00 0.00 179.25 179.88 2dux h ALA 143 N 1.50 1.01 -0.38 0.00 0.00 -0.44 -1.89 119.26 119.05 2dux h ALA 143 Ca 0.37 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2dux h ALA 143 Cb 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2dux h ALA 143 CO -0.13 0.67 0.01 0.52 0.00 0.00 0.00 179.25 180.33 2dux h MET 144 N 1.12 0.59 -0.41 0.00 2.07 -0.07 -2.28 114.93 115.94 2dux h MET 144 Ca 0.24 -0.13 -0.07 0.00 -2.07 0.00 0.00 59.70 57.68 2dux h MET 144 Cb 0.30 -0.08 -0.02 0.00 -1.87 0.00 0.00 31.60 29.92 2dux h MET 144 CO -0.01 0.60 -0.03 0.93 1.07 0.00 0.00 176.91 179.47 2dux h GLU 145 N 0.56 0.68 -0.29 1.72 5.08 -0.21 -2.10 114.58 120.03 2dux h GLU 145 Ca 0.12 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2dux h GLU 145 Cb 0.34 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2dux h GLU 145 CO 0.01 0.72 -0.02 0.93 -1.00 0.00 0.00 179.01 179.65 2dux h GLU 146 N 0.64 0.45 -0.84 2.33 5.08 -0.79 -2.27 114.58 119.18 2dux h GLU 146 Ca 0.12 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2dux h GLU 146 Cb 0.45 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 2dux h GLU 146 CO 0.02 0.50 0.55 -0.07 -1.00 0.00 0.00 179.01 179.01 2dux h LEU 147 N 0.44 0.87 -0.39 1.33 3.38 -1.20 -1.46 115.31 118.27 2dux h LEU 147 Ca 0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2dux h LEU 147 Cb 0.32 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2dux h LEU 147 CO 0.01 0.58 0.22 0.58 0.09 0.00 0.00 178.44 179.92 2dux h VAL 148 N 1.00 1.14 0.00 1.22 2.07 -1.38 -2.14 116.25 118.16 2dux h VAL 148 Ca 0.34 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2dux h VAL 148 Cb 0.10 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2dux h VAL 148 CO -0.11 0.15 0.00 0.47 0.02 0.00 0.00 177.57 178.10 2dux n ASP 149 N -4.75 0.00 -0.69 0.57 8.00 -0.81 -1.99 116.55 116.88 2dux n ASP 149 Ca -0.00 -0.08 0.08 0.00 0.71 0.00 0.00 54.79 55.50 2dux n ASP 149 Cb 0.07 -0.26 0.10 0.00 -0.02 0.00 0.00 41.12 41.01 2dux n ASP 149 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2dux n GLU 150 N -1.26 1.52 -0.99 -1.24 1.02 -0.62 -4.97 120.64 114.10 2dux n GLU 150 Ca 0.11 -1.61 0.00 0.00 -0.02 0.00 0.00 57.16 55.64 2dux n GLU 150 Cb 0.17 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 2dux n GLU 150 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dux n GLY 151 N 0.90 0.54 0.14 0.62 0.00 -0.84 -4.93 105.19 101.61 2dux n GLY 151 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 2dux n GLY 151 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dux h LEU 152 N 0.00 0.00 -7.88 0.99 -0.00 -1.64 -3.44 115.31 103.34 2dux h LEU 152 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.68 2dux h LEU 152 Cb 0.07 0.00 -0.24 0.00 -0.00 0.00 0.00 40.66 40.49 2dux h LEU 152 CO 0.00 0.51 -0.71 0.68 -0.00 0.00 0.00 178.44 178.91 2dux s VAL 153 N -2.96 0.09 -0.15 1.22 -7.23 -1.22 -1.43 120.40 108.72 2dux s VAL 153 Ca 0.03 -0.53 0.19 0.00 -1.81 0.00 0.00 61.98 59.87 2dux s VAL 153 Cb 0.08 -0.18 -0.11 0.00 0.56 0.00 0.00 36.38 36.73 2dux s VAL 153 CO 0.75 -0.27 0.85 0.29 -0.31 0.00 0.00 175.10 176.41 2dux n LYS 154 N 2.24 0.62 -3.81 4.82 4.76 -0.03 -4.23 118.16 122.53 2dux n LYS 154 Ca -0.19 0.16 -0.12 0.00 -2.87 0.00 0.00 58.31 55.30 2dux n LYS 154 Cb 0.57 -1.79 -0.09 0.00 -1.84 0.00 0.00 35.03 31.88 2dux n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2dux s ALA 155 N -3.08 -0.53 0.08 7.82 0.00 -1.01 -4.99 121.76 120.05 2dux s ALA 155 Ca -0.03 -0.00 0.05 0.00 0.00 0.00 0.00 51.96 51.98 2dux s ALA 155 Cb 0.09 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 2dux s ALA 155 CO 0.81 -0.29 -0.14 0.96 0.00 0.00 0.00 175.76 177.11 2dux s ILE 156 N -1.79 1.13 0.10 0.00 -4.36 -1.26 -1.71 121.20 113.31 2dux s ILE 156 Ca -0.11 -1.42 -0.04 0.00 -0.26 0.00 0.00 60.65 58.82 2dux s ILE 156 Cb -0.04 -1.19 0.02 0.00 1.25 0.00 0.00 42.46 42.49 2dux s ILE 156 CO 0.01 -0.30 0.22 0.61 0.24 0.00 0.00 174.94 175.71 2dux n GLY 157 N 1.05 1.69 3.29 6.27 0.00 -0.47 -0.94 105.19 116.09 2dux n GLY 157 Ca -0.19 -1.07 -0.15 0.00 0.00 0.00 0.00 46.02 44.60 2dux n GLY 157 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dux s ILE 158 N -2.75 1.04 -0.09 -0.61 -4.36 -0.10 -0.68 121.20 113.65 2dux s ILE 158 Ca 0.04 -2.04 -0.06 0.00 -0.26 0.00 0.00 60.65 58.33 2dux s ILE 158 Cb -0.01 -2.13 0.04 0.00 1.25 0.00 0.00 42.46 41.60 2dux s ILE 158 CO 0.03 -0.50 0.23 -0.55 0.24 0.00 0.00 174.94 174.39 2dux s SER 159 N -3.24 -0.24 -1.39 4.36 0.15 -0.50 -1.47 113.70 111.38 2dux s SER 159 Ca 0.23 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.36 2dux s SER 159 Cb 0.05 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2dux s SER 159 CO 0.05 -0.13 0.00 0.59 1.20 0.00 0.00 173.24 174.95 2dux n ASN 160 N 3.70 -4.68 -4.73 5.45 3.02 -0.21 -3.74 115.26 114.07 2dux n ASN 160 Ca -0.20 0.08 -0.39 0.00 -0.03 0.00 0.00 54.58 54.04 2dux n ASN 160 Cb 0.55 -3.75 -0.05 0.00 -0.61 0.00 0.00 39.78 35.92 2dux n ASN 160 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2dux s PHE 161 N -2.72 3.56 0.92 3.10 0.40 -1.26 -4.50 117.98 117.47 2dux s PHE 161 Ca 0.00 1.07 -0.14 0.00 -0.60 0.00 0.00 56.93 57.27 2dux s PHE 161 Cb 0.00 -2.66 0.18 0.00 0.51 0.00 0.00 43.02 41.05 2dux s PHE 161 CO 0.00 0.16 1.27 0.54 0.70 0.00 0.00 175.22 177.89 2dux s ASN 162 N 0.58 3.39 0.23 1.36 2.20 -1.26 -4.73 114.94 116.70 2dux s ASN 162 Ca 0.31 0.23 -0.07 0.00 -0.94 0.00 0.00 52.86 52.39 2dux s ASN 162 Cb -0.17 -0.35 0.28 0.00 -2.00 0.00 0.00 41.25 39.02 2dux s ASN 162 CO 0.14 -2.55 1.83 -0.74 -2.94 0.00 0.00 177.10 172.85 2dux h HIS 163 N -1.45 0.85 -0.55 1.54 -0.00 -1.93 -0.12 115.15 113.49 2dux h HIS 163 Ca -0.43 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 59.87 2dux h HIS 163 Cb 1.25 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 28.36 2dux h HIS 163 CO -0.91 0.43 -0.01 -0.07 -0.00 0.00 0.00 177.93 177.37 2dux h LEU 164 N 0.85 0.93 -0.35 0.26 3.38 -1.93 -1.08 115.31 117.37 2dux h LEU 164 Ca 0.34 -0.25 -0.19 0.00 0.09 0.00 0.00 57.88 57.87 2dux h LEU 164 Cb 0.16 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2dux h LEU 164 CO -0.17 0.99 -0.64 1.56 0.09 0.00 0.00 178.44 180.28 2dux h GLN 165 N 0.88 0.68 -0.33 1.13 4.20 -1.74 -0.53 115.11 119.40 2dux h GLN 165 Ca 0.16 -0.48 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 2dux h GLN 165 Cb 0.53 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 2dux h GLN 165 CO 0.03 1.10 0.17 0.28 -0.67 0.00 0.00 178.83 179.74 2dux h VAL 166 N 0.50 1.14 -0.54 -0.54 2.07 -0.86 -1.83 116.25 116.19 2dux h VAL 166 Ca -0.01 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2dux h VAL 166 Cb 1.23 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 2dux h VAL 166 CO 0.13 0.15 0.30 -0.08 0.02 0.00 0.00 177.57 178.08 2dux h GLU 167 N 0.40 0.73 -0.44 1.57 4.81 -1.12 -1.26 114.58 119.28 2dux h GLU 167 Ca 0.11 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2dux h GLU 167 Cb 0.08 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 2dux h GLU 167 CO -0.02 0.53 0.05 0.52 -0.73 0.00 0.00 179.01 179.36 2dux h MET 168 N 0.74 0.68 -0.21 1.92 2.86 -0.48 -1.59 114.93 118.85 2dux h MET 168 Ca 0.19 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 2dux h MET 168 Cb 0.01 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2dux h MET 168 CO -0.03 0.67 -0.02 0.82 1.06 0.00 0.00 176.91 179.40 2dux h ILE 169 N 0.65 1.27 0.00 -1.22 1.08 -0.54 -1.34 117.51 117.41 2dux h ILE 169 Ca 0.14 -0.95 -0.02 0.00 -0.39 0.00 0.00 64.86 63.64 2dux h ILE 169 Cb 0.34 1.47 -0.00 0.00 -3.07 0.00 0.00 36.82 35.55 2dux h ILE 169 CO 0.01 0.29 -0.08 -0.07 -0.69 0.00 0.00 178.15 177.60 2dux h LEU 170 N 0.14 0.00 -2.47 1.44 3.38 -0.90 0.17 115.31 117.06 2dux h LEU 170 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2dux h LEU 170 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2dux h LEU 170 CO 0.02 0.08 0.00 0.59 0.09 0.00 0.00 178.44 179.22 2dux n ASN 171 N -3.79 3.54 -4.69 -0.43 3.02 -0.63 -4.98 115.26 107.30 2dux n ASN 171 Ca -0.02 -1.98 -0.44 0.00 -0.03 0.00 0.00 54.58 52.11 2dux n ASN 171 Cb 0.18 -0.31 -0.04 0.00 -0.61 0.00 0.00 39.78 39.00 2dux n ASN 171 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2dux n LYS 172 N 1.45 2.48 -1.68 3.52 4.81 0.04 -4.89 118.16 123.89 2dux n LYS 172 Ca 0.20 0.89 -0.45 0.00 -0.87 0.00 0.00 58.31 58.09 2dux n LYS 172 Cb 0.59 -2.71 -0.04 0.00 0.02 0.00 0.00 35.03 32.89 2dux n LYS 172 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2dux n PRO 173 N 3.92 2.47 -0.97 1.64 -0.02 -1.26 -1.93 135.00 138.86 2dux n PRO 173 Ca 0.17 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 2dux n PRO 173 Cb 0.32 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.06 2dux n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dux n GLY 174 N 3.99 0.47 3.65 -1.23 0.00 -1.26 -4.96 105.19 105.86 2dux n GLY 174 Ca 0.18 -0.39 -0.55 0.00 0.00 0.00 0.00 46.02 45.27 2dux n GLY 174 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dux n LEU 175 N 0.00 1.99 -0.11 0.99 7.94 -0.81 -4.91 117.00 122.10 2dux n LEU 175 Ca 0.00 1.10 -0.18 0.00 -1.11 0.00 0.00 56.01 55.82 2dux n LEU 175 Cb 0.00 -1.16 -0.09 0.00 0.53 0.00 0.00 43.42 42.70 2dux n LEU 175 CO 0.00 -0.75 -1.21 1.17 -1.11 0.00 0.00 177.39 175.49 2dux n LYS 176 N 3.93 0.50 -4.73 1.96 4.81 -1.26 -4.95 118.16 118.42 2dux n LYS 176 Ca 0.22 0.15 -0.29 0.00 -0.87 0.00 0.00 58.31 57.52 2dux n LYS 176 Cb 0.16 -1.38 -0.17 0.00 0.02 0.00 0.00 35.03 33.67 2dux n LYS 176 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2dux s TYR 177 N -2.41 2.14 0.70 5.64 2.02 -1.26 -5.13 117.35 119.04 2dux s TYR 177 Ca -0.29 -0.94 -0.13 0.00 -0.37 0.00 0.00 57.07 55.33 2dux s TYR 177 Cb 0.09 -1.49 0.02 0.00 -0.40 0.00 0.00 41.96 40.18 2dux s TYR 177 CO 0.45 -0.44 1.10 0.15 -1.57 0.00 0.00 175.55 175.24 2dux s LYS 178 N 0.71 2.62 0.34 -0.62 1.02 -1.26 -4.98 119.74 117.56 2dux s LYS 178 Ca -0.12 1.31 -0.29 0.00 0.02 0.00 0.00 55.97 56.90 2dux s LYS 178 Cb -0.16 -1.93 -0.11 0.00 -0.52 0.00 0.00 37.83 35.11 2dux s LYS 178 CO 0.02 -1.38 1.38 -2.14 -0.92 0.00 0.00 175.35 172.32 2dux s PRO 179 N -4.37 4.26 0.02 -1.68 0.02 -1.26 -4.84 135.00 127.15 2dux s PRO 179 Ca 0.65 2.35 -0.02 0.00 0.02 0.00 0.00 61.00 63.99 2dux s PRO 179 Cb -0.19 -3.04 -0.27 0.00 0.02 0.00 0.00 34.50 31.01 2dux s PRO 179 CO 0.46 -0.33 0.91 0.00 -0.33 0.00 0.00 177.00 177.71 2dux h ALA 180 N 3.47 0.26 -3.18 -1.55 0.00 -1.41 -3.44 119.26 113.43 2dux h ALA 180 Ca -0.49 -1.08 -0.23 0.00 0.00 0.00 0.00 54.91 53.11 2dux h ALA 180 Cb 1.23 0.23 -0.22 0.00 0.00 0.00 0.00 17.79 19.03 2dux h ALA 180 CO 0.67 1.13 -0.72 0.08 0.00 0.00 0.00 179.25 180.41 2dux s VAL 181 N -2.63 0.29 -0.24 0.00 1.01 -1.26 -1.19 120.40 116.38 2dux s VAL 181 Ca -0.08 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.08 2dux s VAL 181 Cb 0.07 -0.38 0.05 0.00 0.00 0.00 0.00 36.38 36.12 2dux s VAL 181 CO 0.86 -0.37 -0.13 0.21 0.00 0.00 0.00 175.10 175.67 2dux s ASN 182 N -1.29 4.18 -0.29 3.32 3.04 -0.18 -0.92 114.94 122.81 2dux s ASN 182 Ca -0.11 -1.23 -0.19 0.00 0.04 0.00 0.00 52.86 51.37 2dux s ASN 182 Cb -0.09 -1.54 -0.02 0.00 -1.54 0.00 0.00 41.25 38.07 2dux s ASN 182 CO -0.00 -0.15 0.56 -1.58 -3.04 0.00 0.00 177.10 172.88 2dux s GLN 183 N 1.15 3.96 0.08 0.43 0.74 -0.54 -2.06 119.66 123.41 2dux s GLN 183 Ca -0.06 0.26 0.01 0.00 0.05 0.00 0.00 55.36 55.62 2dux s GLN 183 Cb -0.18 -3.70 -0.04 0.00 1.10 0.00 0.00 33.01 30.19 2dux s GLN 183 CO -0.07 -0.47 -0.05 0.96 -0.55 0.00 0.00 175.29 175.11 2dux s ILE 184 N 2.43 0.53 0.21 -2.34 -4.36 0.14 -1.04 121.20 116.77 2dux s ILE 184 Ca 0.22 -1.86 -0.30 0.00 -0.26 0.00 0.00 60.65 58.45 2dux s ILE 184 Cb -0.15 -1.58 -0.10 0.00 1.25 0.00 0.00 42.46 41.88 2dux s ILE 184 CO 0.11 -0.90 1.44 -0.70 0.24 0.00 0.00 174.94 175.13 2dux s GLU 185 N -3.77 4.28 -0.29 0.37 2.12 -1.26 -0.76 118.70 119.39 2dux s GLU 185 Ca 0.09 2.26 -0.14 0.00 0.36 0.00 0.00 54.97 57.54 2dux s GLU 185 Cb 0.06 -3.14 0.10 0.00 0.26 0.00 0.00 34.13 31.40 2dux s GLU 185 CO -0.06 -0.44 0.69 0.00 -0.54 0.00 0.00 175.26 174.91 2dux s HIS 187 N 2.02 -0.03 0.62 0.00 -3.43 -0.81 -4.24 115.29 109.42 2dux s HIS 187 Ca -0.09 -0.34 0.31 0.00 -0.80 0.00 0.00 55.06 54.14 2dux s HIS 187 Cb -0.07 0.68 1.72 0.00 -1.43 0.00 0.00 32.58 33.48 2dux s HIS 187 CO -0.19 -0.93 2.06 -1.35 -2.00 0.00 0.00 174.74 172.33 2dux h PRO 188 N 2.00 0.00 -0.00 -0.38 0.11 -1.88 0.66 132.00 132.51 2dux h PRO 188 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2dux h PRO 188 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2dux h PRO 188 CO 0.31 0.00 -0.36 0.66 -0.21 0.00 0.00 178.00 178.40 2dux n TYR 189 N -3.49 0.00 -3.18 0.65 4.01 -1.26 -0.82 117.16 113.06 2dux n TYR 189 Ca 0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.57 2dux n TYR 189 Cb 0.36 -0.28 -0.06 0.00 -0.31 0.00 0.00 39.34 39.05 2dux n TYR 189 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2dux s LEU 190 N -2.91 0.23 0.30 7.72 2.96 0.20 -1.30 118.68 125.89 2dux s LEU 190 Ca 0.14 -2.40 0.20 0.00 -0.22 0.00 0.00 54.13 51.85 2dux s LEU 190 Cb 0.18 0.49 0.14 0.00 0.50 0.00 0.00 46.19 47.50 2dux s LEU 190 CO 0.63 -0.15 1.36 0.71 -1.32 0.00 0.00 176.35 177.59 2dux h THR 191 N 4.81 0.31 -6.12 3.68 1.35 -1.74 -2.15 112.91 113.05 2dux h THR 191 Ca 0.17 -1.47 -0.44 0.00 -0.55 0.00 0.00 66.41 64.11 2dux h THR 191 Cb 1.00 2.03 0.04 0.00 -1.73 0.00 0.00 68.15 69.49 2dux h THR 191 CO 0.22 0.18 -0.73 0.00 -0.25 0.00 0.00 175.52 174.94 2dux n GLN 192 N -3.03 -6.43 -0.26 4.72 1.13 -1.26 -4.86 117.38 107.38 2dux n GLN 192 Ca 0.01 0.69 0.05 0.00 -1.94 0.00 0.00 57.00 55.81 2dux n GLN 192 Cb 0.63 -5.63 0.29 0.00 0.11 0.00 0.00 30.24 25.63 2dux n GLN 192 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2dux h GLU 193 N -2.31 0.89 -0.00 -1.09 5.08 -1.99 -2.04 114.58 113.11 2dux h GLU 193 Ca -0.58 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 57.63 2dux h GLU 193 Cb 1.37 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 30.43 2dux h GLU 193 CO 0.62 0.59 -0.39 -0.22 -1.00 0.00 0.00 179.01 178.61 2dux h LYS 194 N 0.92 0.27 -0.72 2.33 3.11 -1.99 -1.76 116.57 118.72 2dux h LYS 194 Ca 0.36 -0.28 -0.02 0.00 -2.81 0.00 0.00 60.65 57.90 2dux h LYS 194 Cb 0.24 0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.52 2dux h LYS 194 CO -0.13 0.99 0.36 1.25 -2.81 0.00 0.00 179.45 179.12 2dux h LEU 195 N -0.35 0.93 -0.29 5.20 5.85 -1.95 -0.61 115.31 124.09 2dux h LEU 195 Ca -0.05 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 2dux h LEU 195 Cb 1.13 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2dux h LEU 195 CO 0.08 0.78 -0.04 0.40 -0.34 0.00 0.00 178.44 179.32 2dux h ILE 196 N 1.00 1.27 -0.83 4.05 2.04 -1.38 -0.48 117.51 123.18 2dux h ILE 196 Ca 0.25 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 2dux h ILE 196 Cb 0.09 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 2dux h ILE 196 CO -0.03 0.33 0.47 -0.61 0.00 0.00 0.00 178.15 178.30 2dux h GLN 197 N 0.30 1.15 0.34 2.37 -0.00 -1.10 0.16 115.11 118.33 2dux h GLN 197 Ca 0.08 -0.12 -0.01 0.00 -0.00 0.00 0.00 58.65 58.59 2dux h GLN 197 Cb 0.49 -0.23 0.00 0.00 0.00 0.00 0.00 27.48 27.74 2dux h GLN 197 CO 0.02 0.83 -0.18 -0.92 0.00 0.00 0.00 178.83 178.59 2dux h TYR 198 N 1.16 -0.47 -0.09 3.99 3.20 -0.77 -0.03 116.97 123.97 2dux h TYR 198 Ca 0.30 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.19 2dux h TYR 198 Cb 0.01 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 2dux h TYR 198 CO 0.01 -0.29 -0.16 0.00 -1.64 0.00 0.00 178.16 176.08 2dux h GLN 200 N -0.22 0.46 0.00 0.00 4.20 -0.86 -0.92 115.11 117.78 2dux h GLN 200 Ca 0.08 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 2dux h GLN 200 Cb 0.34 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 2dux h GLN 200 CO -0.23 0.40 -0.08 0.66 -0.67 0.00 0.00 178.83 178.91 2dux h SER 201 N 0.47 0.00 -0.31 1.46 4.64 -0.46 -1.54 113.55 117.80 2dux h SER 201 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2dux h SER 201 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2dux h SER 201 CO -0.01 0.08 0.00 0.29 -0.87 0.00 0.00 176.83 176.32 2dux n LYS 202 N -3.36 2.41 -1.00 4.77 4.76 -0.42 -4.95 118.16 120.37 2dux n LYS 202 Ca -0.01 -2.19 0.00 0.00 -2.87 0.00 0.00 58.31 53.24 2dux n LYS 202 Cb 0.25 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 2dux n LYS 202 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dux n GLY 203 N 1.42 0.41 3.62 0.72 0.00 -0.58 -5.02 105.19 105.75 2dux n GLY 203 Ca 0.18 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 2dux n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dux s ILE 204 N -2.00 5.24 0.14 -0.61 1.01 -0.75 -4.42 121.20 119.80 2dux s ILE 204 Ca 0.00 0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.78 2dux s ILE 204 Cb 0.00 -3.63 -0.06 0.00 0.01 0.00 0.00 42.46 38.78 2dux s ILE 204 CO 0.00 0.22 0.97 -0.69 0.00 0.00 0.00 174.94 175.44 2dux s VAL 205 N 1.74 4.38 -0.21 2.92 1.01 -0.33 -3.46 120.40 126.45 2dux s VAL 205 Ca 0.12 2.03 -0.09 0.00 0.00 0.00 0.00 61.98 64.05 2dux s VAL 205 Cb -0.15 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 2dux s VAL 205 CO 0.09 0.34 0.10 -0.69 0.00 0.00 0.00 175.10 174.94 2dux s VAL 206 N -0.19 5.02 -0.15 2.92 1.01 -1.26 -1.01 120.40 126.75 2dux s VAL 206 Ca 0.46 0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.44 2dux s VAL 206 Cb -0.24 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 2dux s VAL 206 CO 0.31 0.42 0.07 -0.89 0.00 0.00 0.00 175.10 175.01 2dux s THR 207 N 0.65 4.93 -0.31 3.92 2.01 -0.88 -1.69 115.64 124.27 2dux s THR 207 Ca 0.05 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.91 2dux s THR 207 Cb -0.13 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 2dux s THR 207 CO 0.01 0.53 0.35 0.00 -0.69 0.00 0.00 174.62 174.83 2dux s ALA 208 N -0.28 3.52 0.40 7.40 0.00 0.14 -0.69 121.76 132.26 2dux s ALA 208 Ca 0.09 -1.04 0.07 0.00 0.00 0.00 0.00 51.96 51.08 2dux s ALA 208 Cb -0.12 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.26 2dux s ALA 208 CO 0.01 -0.87 0.55 1.52 0.00 0.00 0.00 175.76 176.98 2dux s TYR 209 N 2.03 2.92 -1.50 0.00 -0.85 0.06 -3.00 117.35 117.00 2dux s TYR 209 Ca 0.13 -0.30 -0.02 0.00 -0.52 0.00 0.00 57.07 56.36 2dux s TYR 209 Cb -0.16 -2.28 0.00 0.00 0.38 0.00 0.00 41.96 39.90 2dux s TYR 209 CO 0.11 -0.31 0.12 0.43 -1.52 0.00 0.00 175.55 174.38 2dux n SER 210 N -1.82 0.43 0.28 -0.18 7.64 -1.26 -2.34 113.62 116.36 2dux n SER 210 Ca 0.05 -1.22 0.18 0.00 1.01 0.00 0.00 58.87 58.89 2dux n SER 210 Cb 0.59 -1.92 0.77 0.00 -1.01 0.00 0.00 64.21 62.63 2dux n SER 210 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2dux h PRO 211 N -1.84 0.00 -0.53 1.43 0.13 -1.81 -1.29 132.00 128.09 2dux h PRO 211 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2dux h PRO 211 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2dux h PRO 211 CO 0.68 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.73 2dux n LEU 212 N -3.01 3.64 -0.08 1.56 4.77 -1.26 -4.80 117.00 117.83 2dux n LEU 212 Ca 0.00 -1.68 -0.01 0.00 -0.03 0.00 0.00 56.01 54.29 2dux n LEU 212 Cb 0.25 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2dux n LEU 212 CO 0.25 0.84 -0.01 0.61 -1.33 0.00 0.00 177.39 177.75 2dux n GLY 213 N 1.57 0.49 3.57 -0.72 0.00 -0.49 -4.42 105.19 105.20 2dux n GLY 213 Ca 0.22 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 2dux n GLY 213 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dux n SER 214 N 0.83 -3.84 0.28 1.61 2.88 -1.26 -4.82 113.62 109.30 2dux n SER 214 Ca -0.01 -0.84 0.18 0.00 -1.33 0.00 0.00 58.87 56.87 2dux n SER 214 Cb 0.05 -4.19 0.96 0.00 -0.75 0.00 0.00 64.21 60.28 2dux n SER 214 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2dux h PRO 215 N -1.68 0.00 -0.49 -1.46 0.13 -1.98 -1.12 132.00 125.40 2dux h PRO 215 Ca -0.63 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 2dux h PRO 215 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2dux h PRO 215 CO 0.50 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.87 2dux n ASP 216 N -3.47 2.74 -4.60 1.44 5.75 -1.26 -4.92 116.55 112.23 2dux n ASP 216 Ca -0.01 -1.98 -0.47 0.00 -0.01 0.00 0.00 54.79 52.32 2dux n ASP 216 Cb 0.22 -0.33 -0.03 0.00 -1.03 0.00 0.00 41.12 39.95 2dux n ASP 216 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2dux n ARG 217 N 1.00 1.43 0.10 0.11 1.85 -0.43 -4.86 116.66 115.87 2dux n ARG 217 Ca 0.17 0.51 0.12 0.00 -1.00 0.00 0.00 57.85 57.65 2dux n ARG 217 Cb 0.44 -2.00 0.46 0.00 -1.05 0.00 0.00 32.46 30.30 2dux n ARG 217 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2dux n PRO 218 N 1.49 0.18 -0.58 2.89 -0.04 -1.26 -2.94 135.00 134.74 2dux n PRO 218 Ca 0.12 0.33 0.09 0.00 -0.04 0.00 0.00 63.50 64.00 2dux n PRO 218 Cb 0.28 -1.80 0.33 0.00 -0.04 0.00 0.00 33.50 32.28 2dux n PRO 218 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2dux n TRP 219 N -2.13 1.38 -1.85 0.54 2.14 -1.26 -5.02 117.44 111.24 2dux n TRP 219 Ca 0.03 -0.64 -0.38 0.00 2.07 0.00 0.00 57.50 58.58 2dux n TRP 219 Cb 0.28 -0.26 0.03 0.00 -0.81 0.00 0.00 31.31 30.56 2dux n TRP 219 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2dux s ALA 220 N -1.97 2.83 0.06 -1.67 0.00 -1.15 -5.02 121.76 114.85 2dux s ALA 220 Ca 0.48 1.27 0.06 0.00 0.00 0.00 0.00 51.96 53.77 2dux s ALA 220 Cb 0.32 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 2dux s ALA 220 CO 0.21 -1.27 -0.16 0.15 0.00 0.00 0.00 175.76 174.69 2dux s LYS 221 N -2.89 0.96 0.24 0.00 1.02 -1.26 -5.07 119.74 112.75 2dux s LYS 221 Ca 0.71 -0.92 -0.01 0.00 0.02 0.00 0.00 55.97 55.77 2dux s LYS 221 Cb -0.39 -1.02 0.54 0.00 -0.52 0.00 0.00 37.83 36.44 2dux s LYS 221 CO 0.46 0.24 1.27 -2.30 -0.92 0.00 0.00 175.35 174.10 2dux n PRO 222 N 1.52 -0.07 0.00 -1.68 -0.02 -1.26 -1.23 135.00 132.27 2dux n PRO 222 Ca -0.19 1.24 0.14 0.00 -2.02 0.00 0.00 63.50 62.66 2dux n PRO 222 Cb 0.54 -1.92 0.52 0.00 -0.02 0.00 0.00 33.50 32.62 2dux n PRO 222 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2dux n GLU 223 N -5.22 0.17 -1.75 -0.52 0.00 -1.26 -4.88 120.64 107.20 2dux n GLU 223 Ca 0.17 -0.05 -0.40 0.00 0.00 0.00 0.00 57.16 56.88 2dux n GLU 223 Cb 0.55 -1.50 0.03 0.00 0.00 0.00 0.00 31.44 30.52 2dux n GLU 223 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2dux n ASP 224 N -1.37 2.98 -4.67 -1.84 8.00 -0.36 -4.97 116.55 114.32 2dux n ASP 224 Ca 0.09 1.07 -0.35 0.00 0.71 0.00 0.00 54.79 56.31 2dux n ASP 224 Cb 0.32 -1.58 0.11 0.00 -0.02 0.00 0.00 41.12 39.95 2dux n ASP 224 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2dux n PRO 225 N -0.45 0.43 -3.76 -0.24 -0.04 -1.26 -5.02 135.00 124.66 2dux n PRO 225 Ca 0.07 0.21 -0.28 0.00 -0.04 0.00 0.00 63.50 63.46 2dux n PRO 225 Cb 0.42 -2.38 -0.16 0.00 -0.04 0.00 0.00 33.50 31.35 2dux n PRO 225 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dux s SER 226 N -1.85 3.20 0.16 3.54 0.15 -1.26 -5.01 113.70 112.63 2dux s SER 226 Ca 0.75 -0.98 -0.15 0.00 0.70 0.00 0.00 55.95 56.26 2dux s SER 226 Cb -0.32 -0.71 0.03 0.00 -1.71 0.00 0.00 66.02 63.32 2dux s SER 226 CO 0.49 -0.31 1.79 -0.07 1.20 0.00 0.00 173.24 176.34 2dux h LEU 227 N 8.19 0.56 -1.65 3.45 3.38 -1.94 -2.36 115.31 124.94 2dux h LEU 227 Ca -0.16 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2dux h LEU 227 Cb 1.10 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2dux h LEU 227 CO 0.37 0.45 0.00 -0.07 0.09 0.00 0.00 178.44 179.27 2dux h LEU 228 N 0.62 0.00 -2.42 1.67 3.38 -1.96 -1.81 115.31 114.79 2dux h LEU 228 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2dux h LEU 228 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2dux h LEU 228 CO -0.03 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.88 2dux n GLU 229 N -2.86 2.28 -2.16 1.13 1.02 -1.05 -4.87 120.64 114.13 2dux n GLU 229 Ca -0.00 -2.02 -0.43 0.00 -0.02 0.00 0.00 57.16 54.70 2dux n GLU 229 Cb 0.22 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.25 2dux n GLU 229 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2dux s ASP 230 N -1.12 6.70 0.50 1.62 -1.08 -0.68 -4.86 116.67 117.74 2dux s ASP 230 Ca 0.29 1.94 0.17 0.00 -0.52 0.00 0.00 52.55 54.43 2dux s ASP 230 Cb 0.16 -2.53 1.22 0.00 -1.46 0.00 0.00 42.92 40.31 2dux s ASP 230 CO 0.22 -0.94 2.10 -0.65 0.52 0.00 0.00 175.17 176.42 2dux h PRO 231 N 9.33 0.00 -0.20 4.34 0.11 -1.91 -0.40 132.00 143.27 2dux h PRO 231 Ca -0.34 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.65 2dux h PRO 231 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2dux h PRO 231 CO 0.97 0.07 -0.39 0.00 -0.21 0.00 0.00 178.00 178.44 2dux h ARG 232 N 0.00 0.45 0.09 1.05 3.08 -1.97 -0.53 114.38 116.56 2dux h ARG 232 Ca -0.00 -0.22 -0.28 0.00 0.07 0.00 0.00 59.98 59.55 2dux h ARG 232 Cb 0.13 -0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.21 2dux h ARG 232 CO 0.01 0.77 -1.15 0.82 -1.07 0.00 0.00 179.97 179.35 2dux h ILE 233 N 0.37 1.30 -0.55 2.04 2.04 -1.70 -2.99 117.51 118.03 2dux h ILE 233 Ca 0.04 -2.40 0.08 0.00 1.00 0.00 0.00 64.86 63.58 2dux h ILE 233 Cb 0.85 2.66 -0.03 0.00 -0.74 0.00 0.00 36.82 39.55 2dux h ILE 233 CO 0.07 0.73 0.37 0.11 0.00 0.00 0.00 178.15 179.42 2dux h LYS 234 N 0.24 0.42 -0.12 2.37 1.57 -0.93 -1.26 116.57 118.86 2dux h LYS 234 Ca -0.17 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.41 2dux h LYS 234 Cb 1.83 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 34.04 2dux h LYS 234 CO 0.22 0.28 -0.66 0.00 -0.57 0.00 0.00 179.45 178.72 2dux h ALA 235 N 1.71 0.65 -0.23 3.86 0.00 -1.04 -1.14 119.26 123.07 2dux h ALA 235 Ca 0.24 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2dux h ALA 235 Cb 0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2dux h ALA 235 CO -0.07 0.73 -0.02 0.82 0.00 0.00 0.00 179.25 180.72 2dux h ILE 236 N 0.33 1.27 -0.70 0.00 2.04 -1.20 -1.56 117.51 117.68 2dux h ILE 236 Ca -0.02 -0.95 0.12 0.00 1.00 0.00 0.00 64.86 65.02 2dux h ILE 236 Cb 1.22 1.44 -0.09 0.00 -0.74 0.00 0.00 36.82 38.64 2dux h ILE 236 CO 0.12 0.29 0.26 0.00 0.00 0.00 0.00 178.15 178.82 2dux h ALA 237 N 0.78 0.95 -0.47 1.87 0.00 -1.21 -2.69 119.26 118.49 2dux h ALA 237 Ca 0.06 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2dux h ALA 237 Cb 0.44 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2dux h ALA 237 CO 0.02 -0.21 0.28 0.00 0.00 0.00 0.00 179.25 179.34 2dux h ALA 238 N 1.50 0.60 -0.35 0.00 0.00 -0.95 -0.41 119.26 119.66 2dux h ALA 238 Ca 0.37 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.30 2dux h ALA 238 Cb 0.53 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2dux h ALA 238 CO -0.38 -0.03 0.24 -0.22 0.00 0.00 0.00 179.25 178.86 2dux h LYS 239 N 0.56 0.35 -0.07 0.00 3.64 -1.03 -2.48 116.57 117.53 2dux h LYS 239 Ca 0.19 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2dux h LYS 239 Cb 0.02 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2dux h LYS 239 CO -0.09 0.23 0.00 0.72 -2.27 0.00 0.00 179.45 178.04 2dux n HIS 240 N -4.49 0.07 -3.73 1.91 8.25 -0.52 -4.95 115.22 111.76 2dux n HIS 240 Ca 0.03 -0.03 -0.26 0.00 -0.26 0.00 0.00 57.72 57.20 2dux n HIS 240 Cb 0.15 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.32 2dux n HIS 240 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2dux n ASN 241 N 1.19 -5.60 -4.45 0.41 4.13 -0.28 -5.00 115.26 105.66 2dux n ASN 241 Ca 0.15 -0.64 -0.26 0.00 1.68 0.00 0.00 54.58 55.52 2dux n ASN 241 Cb 0.56 -4.56 -0.10 0.00 -1.54 0.00 0.00 39.78 34.15 2dux n ASN 241 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2dux s LYS 242 N -6.42 1.87 0.56 3.52 -0.14 -0.51 -5.03 119.74 113.59 2dux s LYS 242 Ca 0.60 -2.10 -0.03 0.00 -1.36 0.00 0.00 55.97 53.08 2dux s LYS 242 Cb -0.28 -1.05 0.02 0.00 -1.68 0.00 0.00 37.83 34.84 2dux s LYS 242 CO 0.77 -0.27 0.83 0.95 -0.76 0.00 0.00 175.35 176.87 2dux s THR 243 N -3.10 3.34 0.19 2.17 -4.23 -1.26 -4.27 115.64 108.47 2dux s THR 243 Ca 0.28 -0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 60.36 2dux s THR 243 Cb 0.06 -3.30 0.11 0.00 1.34 0.00 0.00 72.50 70.71 2dux s THR 243 CO 0.14 -0.26 1.83 0.71 -0.54 0.00 0.00 174.62 176.49 2dux h THR 244 N -0.03 1.19 -0.73 3.99 1.35 -1.91 -1.88 112.91 114.88 2dux h THR 244 Ca -0.45 -0.42 0.07 0.00 -0.55 0.00 0.00 66.41 65.07 2dux h THR 244 Cb 1.27 0.30 -0.06 0.00 -1.73 0.00 0.00 68.15 67.93 2dux h THR 244 CO 0.58 0.19 0.41 0.00 -0.25 0.00 0.00 175.52 176.45 2dux h ALA 245 N 1.20 1.00 -0.89 6.62 0.00 -1.93 -0.43 119.26 124.83 2dux h ALA 245 Ca 0.23 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2dux h ALA 245 Cb -0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2dux h ALA 245 CO -0.04 0.07 0.53 1.96 0.00 0.00 0.00 179.25 181.77 2dux h GLN 246 N 0.72 1.21 -0.38 0.00 4.20 -1.72 -1.11 115.11 118.04 2dux h GLN 246 Ca 0.34 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.86 2dux h GLN 246 Cb 0.26 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2dux h GLN 246 CO -0.21 0.85 -0.06 0.28 -0.67 0.00 0.00 178.83 179.02 2dux h VAL 247 N 1.23 1.27 0.00 -0.54 2.07 -0.61 -0.36 116.25 119.31 2dux h VAL 247 Ca 0.32 -1.11 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 2dux h VAL 247 Cb -0.05 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2dux h VAL 247 CO -0.06 0.37 -0.13 -0.07 0.02 0.00 0.00 177.57 177.70 2dux h LEU 248 N 0.51 0.00 0.14 2.57 3.38 -0.56 -0.38 115.31 120.97 2dux h LEU 248 Ca 0.10 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.73 2dux h LEU 248 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2dux h LEU 248 CO 0.03 0.13 -1.77 0.40 0.09 0.00 0.00 178.44 177.32 2dux h ILE 249 N 0.00 0.89 -0.05 1.22 2.04 -1.03 -3.34 117.51 117.23 2dux h ILE 249 Ca -0.00 -2.54 -0.09 0.00 1.00 0.00 0.00 64.86 63.23 2dux h ILE 249 Cb 0.42 2.67 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 2dux h ILE 249 CO 0.02 0.84 -0.37 -0.09 0.00 0.00 0.00 178.15 178.54 2dux h ARG 250 N 0.08 0.11 0.32 2.37 9.65 -0.80 -3.25 114.38 122.86 2dux h ARG 250 Ca -0.34 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.50 2dux h ARG 250 Cb 2.06 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 30.60 2dux h ARG 250 CO 0.14 0.47 -0.49 0.35 2.80 0.00 0.00 179.97 183.24 2dux h PHE 251 N 0.09 -1.38 -0.12 2.20 3.57 -1.19 -1.82 116.94 118.29 2dux h PHE 251 Ca 0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2dux h PHE 251 Cb 0.71 0.56 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 2dux h PHE 251 CO 0.01 -0.62 -0.00 -1.00 -2.23 0.00 0.00 178.31 174.46 2dux h PRO 252 N -0.86 0.17 -0.58 6.41 0.13 -1.74 -2.54 132.00 132.98 2dux h PRO 252 Ca -0.03 -0.02 0.04 0.00 -0.87 0.00 0.00 66.00 65.12 2dux h PRO 252 Cb 0.80 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.87 2dux h PRO 252 CO -0.16 0.19 0.39 0.52 -0.23 0.00 0.00 178.00 178.71 2dux h MET 253 N 0.17 0.62 -0.00 0.86 2.86 -1.37 -1.12 114.93 116.94 2dux h MET 253 Ca 0.04 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2dux h MET 253 Cb 0.12 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2dux h MET 253 CO 0.00 0.41 -0.02 1.04 1.06 0.00 0.00 176.91 179.40 2dux n GLN 254 N -4.47 1.04 -0.60 1.72 6.02 -0.96 -2.52 117.38 117.62 2dux n GLN 254 Ca 0.07 -0.28 0.09 0.00 -0.01 0.00 0.00 57.00 56.88 2dux n GLN 254 Cb 0.18 -1.49 0.34 0.00 1.02 0.00 0.00 30.24 30.28 2dux n GLN 254 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2dux n ARG 255 N -0.74 3.72 -3.00 -1.09 1.74 -0.48 -4.93 116.66 111.88 2dux n ARG 255 Ca 0.20 -2.86 -0.22 0.00 -0.77 0.00 0.00 57.85 54.20 2dux n ARG 255 Cb 0.21 -1.88 0.03 0.00 -1.02 0.00 0.00 32.46 29.80 2dux n ARG 255 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2dux n ASN 256 N 0.86 -6.03 -4.93 0.55 5.03 -1.05 -5.02 115.26 104.67 2dux n ASN 256 Ca 0.25 -0.28 -0.24 0.00 0.87 0.00 0.00 54.58 55.18 2dux n ASN 256 Cb 0.89 -4.88 -0.03 0.00 -1.02 0.00 0.00 39.78 34.74 2dux n ASN 256 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2dux s LEU 257 N -6.65 4.25 0.07 3.41 1.43 -0.84 -4.70 118.68 115.65 2dux s LEU 257 Ca 0.29 0.08 -0.19 0.00 -1.03 0.00 0.00 54.13 53.28 2dux s LEU 257 Cb -0.13 -2.81 -0.07 0.00 0.03 0.00 0.00 46.19 43.22 2dux s LEU 257 CO 0.36 -0.00 0.55 -0.69 0.23 0.00 0.00 176.35 176.80 2dux s VAL 258 N -1.87 4.77 0.02 -1.59 1.01 -0.68 -4.21 120.40 117.85 2dux s VAL 258 Ca 0.34 1.17 0.03 0.00 0.00 0.00 0.00 61.98 63.52 2dux s VAL 258 Cb -0.10 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 2dux s VAL 258 CO 0.28 0.56 -0.10 0.54 0.00 0.00 0.00 175.10 176.38 2dux s VAL 259 N -1.11 0.74 -0.45 2.92 0.11 0.74 0.24 120.40 123.59 2dux s VAL 259 Ca 0.28 -0.71 0.08 0.00 -2.93 0.00 0.00 61.98 58.71 2dux s VAL 259 Cb -0.19 -0.68 0.29 0.00 -1.53 0.00 0.00 36.38 34.27 2dux s VAL 259 CO 0.18 -0.01 0.69 2.30 -3.33 0.00 0.00 175.10 174.93 2dux n ILE 260 N 2.25 0.53 -1.84 7.04 -5.35 -1.16 -1.06 119.36 119.76 2dux n ILE 260 Ca -0.17 -4.63 -0.41 0.00 -0.27 0.00 0.00 62.75 57.28 2dux n ILE 260 Cb 0.56 -1.37 0.00 0.00 -1.74 0.00 0.00 39.64 37.10 2dux n ILE 260 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2dux s PRO 261 N -2.13 4.00 -0.14 6.28 0.04 -1.21 -3.20 135.00 138.63 2dux s PRO 261 Ca 0.39 2.48 -0.09 0.00 0.04 0.00 0.00 61.00 63.82 2dux s PRO 261 Cb 0.24 -2.87 -0.05 0.00 0.04 0.00 0.00 34.50 31.86 2dux s PRO 261 CO -0.09 -0.59 0.18 0.21 0.04 0.00 0.00 177.00 176.75 2dux s LYS 262 N -2.18 3.80 -0.02 4.56 2.36 -1.26 -1.18 119.74 125.82 2dux s LYS 262 Ca 0.55 -0.09 -0.21 0.00 -2.55 0.00 0.00 55.97 53.68 2dux s LYS 262 Cb -0.45 -3.29 0.04 0.00 -1.05 0.00 0.00 37.83 33.09 2dux s LYS 262 CO 0.60 0.57 0.45 0.45 1.55 0.00 0.00 175.35 178.96 2dux s SER 263 N -0.45 -0.36 0.00 1.43 0.15 -1.26 -4.92 113.70 108.29 2dux s SER 263 Ca 0.14 0.27 0.12 0.00 0.70 0.00 0.00 55.95 57.18 2dux s SER 263 Cb -0.12 0.40 0.31 0.00 -1.71 0.00 0.00 66.02 64.90 2dux s SER 263 CO 0.03 -0.54 1.24 1.33 1.20 0.00 0.00 173.24 176.50 2dux n VAL 264 N 1.03 0.88 -3.14 4.45 0.24 -1.26 -4.88 118.33 115.65 2dux n VAL 264 Ca -0.20 -0.94 -0.43 0.00 -2.04 0.00 0.00 64.34 60.72 2dux n VAL 264 Cb 0.57 0.59 -0.07 0.00 -1.47 0.00 0.00 33.84 33.46 2dux n VAL 264 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2dux s THR 265 N -1.00 4.85 0.28 3.34 2.01 -1.26 -4.80 115.64 119.06 2dux s THR 265 Ca 0.24 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.08 2dux s THR 265 Cb 0.13 -4.24 0.26 0.00 0.01 0.00 0.00 72.50 68.66 2dux s THR 265 CO 0.17 -0.69 1.77 -0.65 -0.69 0.00 0.00 174.62 174.53 2dux h PRO 266 N 8.93 0.66 -0.10 4.92 0.11 -1.96 0.62 132.00 145.19 2dux h PRO 266 Ca -0.26 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 2dux h PRO 266 Cb 1.10 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2dux h PRO 266 CO 0.92 0.44 -0.12 1.49 -0.21 0.00 0.00 178.00 180.52 2dux h GLU 267 N 0.68 0.15 0.19 1.05 4.81 -1.99 -2.19 114.58 117.27 2dux h GLU 267 Ca 0.50 -0.03 -0.31 0.00 -0.13 0.00 0.00 59.36 59.39 2dux h GLU 267 Cb 0.71 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 30.10 2dux h GLU 267 CO -0.36 0.28 -1.36 0.00 -0.73 0.00 0.00 179.01 176.83 2dux h ARG 268 N 0.14 0.51 -0.64 1.92 3.08 -1.38 -0.74 114.38 117.27 2dux h ARG 268 Ca 0.03 -0.80 0.10 0.00 0.07 0.00 0.00 59.98 59.38 2dux h ARG 268 Cb 0.31 0.29 -0.08 0.00 0.08 0.00 0.00 29.97 30.57 2dux h ARG 268 CO 0.02 1.38 0.25 0.82 -1.07 0.00 0.00 179.97 181.36 2dux h ILE 269 N 0.17 0.76 -0.03 2.04 2.04 -0.79 0.73 117.51 122.44 2dux h ILE 269 Ca -0.21 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2dux h ILE 269 Cb 2.05 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 2dux h ILE 269 CO 0.25 0.08 -0.02 0.00 0.00 0.00 0.00 178.15 178.46 2dux h ALA 270 N 1.44 0.04 -0.55 1.87 0.00 -1.41 -3.02 119.26 117.64 2dux h ALA 270 Ca 0.33 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 55.09 2dux h ALA 270 Cb 0.42 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 2dux h ALA 270 CO -0.32 -0.20 0.09 1.49 0.00 0.00 0.00 179.25 180.31 2dux h GLU 271 N -0.40 0.22 0.00 0.00 4.81 -0.87 -2.36 114.58 115.98 2dux h GLU 271 Ca 0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2dux h GLU 271 Cb 0.51 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 2dux h GLU 271 CO 0.01 0.14 -0.02 -0.91 -0.73 0.00 0.00 179.01 177.50 2dux h ASN 272 N 0.22 0.00 1.38 1.04 2.35 -0.82 -0.60 115.58 119.15 2dux h ASN 272 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 2dux h ASN 272 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.78 2dux h ASN 272 CO -0.38 0.02 -0.58 0.15 -1.65 0.00 0.00 177.43 174.98 2dux h PHE 273 N 0.00 0.00 -0.74 1.19 3.57 -1.29 -3.40 116.94 116.26 2dux h PHE 273 Ca -0.00 0.00 -0.72 0.00 3.53 0.00 0.00 57.97 60.78 2dux h PHE 273 Cb 0.06 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 38.72 2dux h PHE 273 CO 0.00 0.00 2.76 1.63 -2.23 0.00 0.00 178.31 180.47 2dux n LYS 274 N -2.80 3.77 -0.01 1.11 5.02 -0.23 -4.29 118.16 120.73 2dux n LYS 274 Ca 0.02 -3.04 0.00 0.00 -2.02 0.00 0.00 58.31 53.27 2dux n LYS 274 Cb 0.53 -2.88 0.00 0.00 -0.02 0.00 0.00 35.03 32.66 2dux n LYS 274 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2dux n VAL 275 N 3.26 0.49 1.09 -0.18 0.24 -1.26 -4.71 118.33 117.25 2dux n VAL 275 Ca 0.57 -0.50 0.12 0.00 -2.04 0.00 0.00 64.34 62.50 2dux n VAL 275 Cb 0.31 0.74 0.17 0.00 -1.47 0.00 0.00 33.84 33.59 2dux n VAL 275 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2dux n PHE 276 N -0.25 0.00 -0.42 6.34 3.72 -1.26 -4.39 117.46 121.20 2dux n PHE 276 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 2dux n PHE 276 Cb 0.39 -0.00 0.24 0.00 -0.94 0.00 0.00 39.48 39.17 2dux n PHE 276 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2dux n ASP 277 N 1.11 3.61 -3.77 4.37 3.85 -1.26 -4.99 116.55 119.48 2dux n ASP 277 Ca 0.15 -2.23 -0.10 0.00 -0.71 0.00 0.00 54.79 51.90 2dux n ASP 277 Cb 0.55 -0.39 -0.04 0.00 -1.35 0.00 0.00 41.12 39.89 2dux n ASP 277 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 2dux s PHE 278 N -1.43 -0.03 -0.03 2.11 -0.71 -1.26 -5.16 117.98 111.46 2dux s PHE 278 Ca 0.36 -0.31 0.02 0.00 -1.04 0.00 0.00 56.93 55.96 2dux s PHE 278 Cb 0.22 0.31 0.01 0.00 -1.21 0.00 0.00 43.02 42.35 2dux s PHE 278 CO 0.20 -0.87 -0.07 -1.21 -1.34 0.00 0.00 175.22 171.93 2dux s GLU 279 N -3.89 0.91 0.36 1.99 2.02 -1.26 -5.05 118.70 113.78 2dux s GLU 279 Ca 0.10 -0.21 -0.26 0.00 0.02 0.00 0.00 54.97 54.62 2dux s GLU 279 Cb -0.00 -0.86 -0.09 0.00 0.10 0.00 0.00 34.13 33.28 2dux s GLU 279 CO -0.03 0.02 1.06 -0.51 0.02 0.00 0.00 175.26 175.82 2dux s LEU 280 N 0.51 4.28 0.80 1.80 1.43 -1.26 -5.06 118.68 121.18 2dux s LEU 280 Ca -0.08 2.10 -0.11 0.00 -1.03 0.00 0.00 54.13 55.01 2dux s LEU 280 Cb -0.11 -4.01 0.07 0.00 0.03 0.00 0.00 46.19 42.18 2dux s LEU 280 CO 0.01 -0.37 1.09 -0.94 0.23 0.00 0.00 176.35 176.37 2dux s SER 281 N -1.36 4.42 0.52 2.29 1.04 -1.26 -4.84 113.70 114.51 2dux s SER 281 Ca 0.53 1.36 0.16 0.00 0.48 0.00 0.00 55.95 58.49 2dux s SER 281 Cb -0.25 -2.10 1.26 0.00 0.10 0.00 0.00 66.02 65.04 2dux s SER 281 CO 0.32 -2.02 2.14 0.77 0.98 0.00 0.00 173.24 175.42 2dux h SER 282 N -1.12 0.02 0.34 7.02 4.64 -1.99 -0.53 113.55 121.92 2dux h SER 282 Ca -0.47 -0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.63 2dux h SER 282 Cb 1.27 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2dux h SER 282 CO 0.58 0.01 -0.89 -0.61 -0.87 0.00 0.00 176.83 175.05 2dux h GLN 283 N 0.02 0.39 -0.69 4.77 4.15 -2.00 -1.57 115.11 120.18 2dux h GLN 283 Ca 0.02 -0.40 0.07 0.00 0.77 0.00 0.00 58.65 59.10 2dux h GLN 283 Cb 0.05 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 27.79 2dux h GLN 283 CO -0.00 1.07 0.38 -0.44 -1.93 0.00 0.00 178.83 177.90 2dux h ASP 284 N 0.23 0.55 -0.50 -0.69 3.32 -1.62 -0.54 116.42 117.18 2dux h ASP 284 Ca -0.07 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 2dux h ASP 284 Cb 1.52 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.98 2dux h ASP 284 CO 0.15 0.35 0.12 0.24 -1.72 0.00 0.00 179.24 178.38 2dux h MET 285 N 0.69 0.80 -0.03 3.56 2.86 -0.86 -0.26 114.93 121.70 2dux h MET 285 Ca 0.31 -0.20 -0.11 0.00 -2.06 0.00 0.00 59.70 57.65 2dux h MET 285 Cb 0.22 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2dux h MET 285 CO -0.20 0.78 -0.49 1.15 1.06 0.00 0.00 176.91 179.21 2dux h THR 286 N 0.69 1.35 -0.51 2.22 2.02 -1.11 -1.06 112.91 116.52 2dux h THR 286 Ca 0.16 -1.71 -0.09 0.00 0.77 0.00 0.00 66.41 65.53 2dux h THR 286 Cb 0.34 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 2dux h THR 286 CO 0.00 0.49 -0.04 0.74 0.37 0.00 0.00 175.52 177.08 2dux h THR 287 N 0.06 1.27 -0.55 3.16 2.02 -0.82 -1.45 112.91 116.60 2dux h THR 287 Ca -0.00 -1.16 -0.11 0.00 0.77 0.00 0.00 66.41 65.92 2dux h THR 287 Cb 0.90 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 2dux h THR 287 CO 0.07 0.41 -0.07 -0.07 0.37 0.00 0.00 175.52 176.22 2dux h LEU 288 N 0.79 1.02 -1.62 2.58 3.38 -0.78 -2.60 115.31 118.08 2dux h LEU 288 Ca 0.14 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.85 2dux h LEU 288 Cb 0.58 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2dux h LEU 288 CO 0.03 1.12 0.38 -0.07 0.09 0.00 0.00 178.44 179.99 2dux h LEU 289 N 0.90 0.40 -1.45 1.67 3.38 -0.98 -2.40 115.31 116.84 2dux h LEU 289 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2dux h LEU 289 Cb 0.64 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2dux h LEU 289 CO 0.04 0.25 0.00 0.77 0.09 0.00 0.00 178.44 179.60 2dux h SER 290 N 0.45 0.00 -0.00 -0.43 4.64 -0.85 -2.50 113.55 114.86 2dux h SER 290 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2dux h SER 290 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2dux h SER 290 CO -0.07 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.67 2dux n TYR 291 N -2.62 0.00 -1.63 4.77 4.01 -0.90 -4.90 117.16 115.88 2dux n TYR 291 Ca 0.00 -0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.28 2dux n TYR 291 Cb 0.18 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 2dux n TYR 291 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2dux n ASN 292 N -0.92 2.12 -0.21 7.72 5.15 -0.00 -4.21 115.26 124.90 2dux n ASN 292 Ca 0.21 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 55.34 2dux n ASN 292 Cb 0.10 -1.34 0.00 0.00 -0.53 0.00 0.00 39.78 38.00 2dux n ASN 292 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2dux n ARG 293 N 1.71 0.03 -3.81 1.20 1.85 -0.44 -4.96 116.66 112.23 2dux n ARG 293 Ca 0.12 -0.73 -0.27 0.00 -1.00 0.00 0.00 57.85 55.97 2dux n ARG 293 Cb 0.29 -0.51 0.04 0.00 -1.05 0.00 0.00 32.46 31.23 2dux n ARG 293 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2dux n ASN 294 N -0.01 -4.33 -4.65 2.89 3.02 -0.42 -4.98 115.26 106.78 2dux n ASN 294 Ca 0.00 -0.74 -0.38 0.00 -0.03 0.00 0.00 54.58 53.43 2dux n ASN 294 Cb 0.58 -4.14 -0.09 0.00 -0.61 0.00 0.00 39.78 35.52 2dux n ASN 294 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2dux s TRP 295 N -3.37 3.32 -0.15 3.10 -0.00 -0.82 -5.00 118.94 116.02 2dux s TRP 295 Ca 0.51 0.41 -0.01 0.00 -0.00 0.00 0.00 56.10 57.01 2dux s TRP 295 Cb -0.25 -2.43 -0.02 0.00 -0.00 0.00 0.00 33.47 30.77 2dux s TRP 295 CO 0.81 -0.03 -0.10 1.03 -0.00 0.00 0.00 176.95 178.66 2dux s ARG 296 N 1.38 3.47 0.12 5.86 0.52 -1.26 -4.41 118.95 124.63 2dux s ARG 296 Ca 0.13 -0.63 -0.13 0.00 -0.52 0.00 0.00 55.73 54.59 2dux s ARG 296 Cb -0.15 -2.75 -0.07 0.00 0.52 0.00 0.00 34.95 32.50 2dux s ARG 296 CO 0.07 0.18 1.43 0.28 0.02 0.00 0.00 175.30 177.29 2dux h VAL 297 N 5.36 1.28 -3.69 3.52 2.07 -1.98 -3.43 116.25 119.39 2dux h VAL 297 Ca -0.29 -1.57 -0.67 0.00 0.82 0.00 0.00 66.70 64.98 2dux h VAL 297 Cb 1.20 1.53 -0.37 0.00 -1.52 0.00 0.00 31.29 32.13 2dux h VAL 297 CO 0.58 0.52 -0.69 0.00 0.02 0.00 0.00 177.57 178.00 2dux n ALA 299 N 4.42 -3.40 -1.84 0.00 0.00 -1.26 -5.06 120.51 113.37 2dux n ALA 299 Ca -0.03 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.61 2dux n ALA 299 Cb 0.42 -3.07 -0.03 0.00 0.00 0.00 0.00 19.45 16.78 2dux n ALA 299 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2dux s LEU 300 N -0.05 4.38 0.23 0.00 2.96 -1.26 -4.92 118.68 120.02 2dux s LEU 300 Ca 0.26 2.47 -0.07 0.00 -0.22 0.00 0.00 54.13 56.57 2dux s LEU 300 Cb 0.20 -3.54 0.39 0.00 0.50 0.00 0.00 46.19 43.74 2dux s LEU 300 CO -0.10 -0.98 1.71 0.25 -1.32 0.00 0.00 176.35 175.91 2dux h LEU 301 N 10.23 0.08 -1.86 -0.68 5.85 -2.01 -1.58 115.31 125.35 2dux h LEU 301 Ca -0.44 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2dux h LEU 301 Cb 1.21 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2dux h LEU 301 CO 0.95 0.02 0.20 0.77 -0.34 0.00 0.00 178.44 180.04 2dux h SER 302 N 0.32 0.00 -0.02 1.25 4.64 -1.91 -1.58 113.55 116.24 2dux h SER 302 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2dux h SER 302 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2dux h SER 302 CO -0.43 0.00 -0.10 0.00 -0.87 0.00 0.00 176.83 175.43 2dux n THR 304 N 0.95 0.90 1.10 0.00 -2.24 -0.59 -1.76 114.28 112.64 2dux n THR 304 Ca 0.12 0.22 0.12 0.00 -2.27 0.00 0.00 64.05 62.24 2dux n THR 304 Cb 0.52 -0.96 0.19 0.00 -2.10 0.00 0.00 70.33 67.98 2dux n THR 304 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2dux n SER 305 N -1.55 1.14 -4.78 3.42 2.88 -1.26 -4.87 113.62 108.60 2dux n SER 305 Ca 0.04 -0.91 -0.41 0.00 -1.33 0.00 0.00 58.87 56.26 2dux n SER 305 Cb 0.19 0.36 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2dux n SER 305 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2dux s HIS 306 N -2.67 2.57 0.50 0.66 5.04 -0.72 -4.86 115.29 115.80 2dux s HIS 306 Ca 0.18 1.17 0.16 0.00 -1.54 0.00 0.00 55.06 55.02 2dux s HIS 306 Cb 0.18 -4.03 1.20 0.00 0.04 0.00 0.00 32.58 29.98 2dux s HIS 306 CO 0.62 -3.02 2.11 1.57 -2.34 0.00 0.00 174.74 173.68 2dux h LYS 307 N 2.95 0.00 -0.68 2.88 2.10 -1.92 -0.88 116.57 121.02 2dux h LYS 307 Ca -0.51 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 2dux h LYS 307 Cb 1.24 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2dux h LYS 307 CO 0.64 0.05 0.00 -0.25 -2.00 0.00 0.00 179.45 177.89 2dux n ASP 308 N -4.49 3.75 -4.66 7.07 8.00 -1.26 -4.98 116.55 120.00 2dux n ASP 308 Ca -0.03 -2.05 -0.50 0.00 0.71 0.00 0.00 54.79 52.92 2dux n ASP 308 Cb 0.13 -0.47 -0.05 0.00 -0.02 0.00 0.00 41.12 40.71 2dux n ASP 308 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dux n TYR 309 N 1.44 2.04 0.45 1.24 9.36 -0.34 -4.52 117.16 126.82 2dux n TYR 309 Ca 0.23 0.36 0.12 0.00 3.32 0.00 0.00 57.90 61.93 2dux n TYR 309 Cb 0.61 -2.50 0.24 0.00 -0.63 0.00 0.00 39.34 37.06 2dux n TYR 309 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2dux h PRO 310 N 6.40 0.00 -0.45 2.98 0.13 -1.91 -3.38 132.00 135.76 2dux h PRO 310 Ca -0.47 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 2dux h PRO 310 Cb 1.29 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.33 2dux h PRO 310 CO 0.88 0.00 0.08 1.19 -0.23 0.00 0.00 178.00 179.92 2dux n PHE 311 N -2.49 1.49 0.13 1.56 3.72 -1.26 -4.32 117.46 116.28 2dux n PHE 311 Ca 0.04 -1.27 -0.22 0.00 -0.05 0.00 0.00 57.45 55.95 2dux n PHE 311 Cb 0.47 -0.51 -0.15 0.00 -0.94 0.00 0.00 39.48 38.36 2dux n PHE 311 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2dux h HIS 312 N 1.67 0.89 -4.10 1.38 3.86 -1.98 -3.46 115.15 113.40 2dux h HIS 312 Ca 0.18 -0.62 -0.48 0.00 -1.16 0.00 0.00 60.37 58.29 2dux h HIS 312 Cb 1.83 -0.05 0.04 0.00 1.06 0.00 0.00 27.41 30.29 2dux h HIS 312 CO 0.94 1.48 0.39 -1.83 0.86 0.00 0.00 177.93 179.76 2dux s GLU 313 N -2.72 3.69 0.30 2.45 -1.05 -1.26 -4.96 118.70 115.15 2dux s GLU 313 Ca -0.08 1.33 0.06 0.00 -0.15 0.00 0.00 54.97 56.14 2dux s GLU 313 Cb 0.05 -2.08 0.78 0.00 -0.44 0.00 0.00 34.13 32.44 2dux s GLU 313 CO 0.93 -0.52 1.74 1.49 0.95 0.00 0.00 175.26 179.85 2dux h GLU 314 N 1.31 0.58 0.00 -4.83 4.22 -1.92 -3.51 114.58 110.43 2dux h GLU 314 Ca -0.49 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.92 2dux h GLU 314 Cb 1.22 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2dux h GLU 314 CO 0.59 0.39 0.00 1.97 -2.18 0.00 0.00 179.01 179.77