#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zre h PRO 9 N 0.00 -0.14 -1.19 0.11 0.11 -2.05 -2.45 132.00 126.39 1zre h PRO 9 Ca 0.00 0.01 0.39 0.00 0.11 0.00 0.00 66.00 66.51 1zre h PRO 9 Cb 0.00 0.03 -0.10 0.00 0.11 0.00 0.00 31.00 31.04 1zre h PRO 9 CO 0.00 -0.09 0.79 0.25 -0.21 0.00 0.00 178.00 178.74 1zre n THR 10 N -3.10 -0.15 0.13 -1.15 -2.24 -1.26 -0.11 114.28 106.39 1zre n THR 10 Ca -0.02 1.36 -0.07 0.00 -2.27 0.00 0.00 64.05 63.05 1zre n THR 10 Cb 0.08 -2.23 -0.04 0.00 -2.10 0.00 0.00 70.33 66.05 1zre n THR 10 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1zre h LEU 11 N 0.00 -0.34 -2.09 3.22 5.85 -1.88 -0.48 115.31 119.59 1zre h LEU 11 Ca 0.70 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.45 1zre h LEU 11 Cb 2.40 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 43.51 1zre h LEU 11 CO -0.28 0.12 0.34 -0.08 -0.34 0.00 0.00 178.44 178.19 1zre h GLU 12 N -1.09 0.00 0.02 1.25 4.57 -0.29 0.41 114.58 119.45 1zre h GLU 12 Ca -0.04 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1zre h GLU 12 Cb 0.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1zre h GLU 12 CO 0.07 0.00 -0.01 2.35 -1.18 0.00 0.00 179.01 180.24 1zre h TRP 13 N 0.00 -0.03 -0.32 0.92 7.01 -0.96 -2.97 115.95 119.60 1zre h TRP 13 Ca 0.10 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.17 1zre h TRP 13 Cb 0.77 0.01 -0.07 0.00 -2.10 0.00 0.00 29.16 27.77 1zre h TRP 13 CO 0.00 0.67 -0.16 0.35 -2.79 0.00 0.00 178.44 176.51 1zre h PHE 14 N -0.94 -0.38 0.00 2.65 3.57 0.11 -0.92 116.94 121.02 1zre h PHE 14 Ca -0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1zre h PHE 14 Cb 0.71 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 1zre h PHE 14 CO 0.19 -0.23 -0.00 -0.07 -2.23 0.00 0.00 178.31 175.96 1zre h LEU 15 N -0.11 0.00 -0.96 0.59 3.38 -0.46 -1.19 115.31 116.56 1zre h LEU 15 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1zre h LEU 15 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1zre h LEU 15 CO -0.39 0.00 0.00 0.77 0.09 0.00 0.00 178.44 178.91 1zre h SER 16 N 0.00 0.00 -0.24 -0.43 4.64 -0.99 -2.19 113.55 114.34 1zre h SER 16 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1zre h SER 16 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1zre h SER 16 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 1zre n HIS 17 N -2.90 0.30 -3.99 4.77 8.25 -0.46 -4.96 115.22 116.23 1zre n HIS 17 Ca 0.02 -0.16 -0.24 0.00 -0.26 0.00 0.00 57.72 57.08 1zre n HIS 17 Cb 0.35 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 1zre n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1zre s HIS 19 N -1.87 3.22 0.17 0.00 5.65 0.62 -4.84 115.29 118.25 1zre s HIS 19 Ca 0.34 -0.23 -0.26 0.00 0.25 0.00 0.00 55.06 55.16 1zre s HIS 19 Cb -0.10 -2.45 -0.08 0.00 -1.18 0.00 0.00 32.58 28.78 1zre s HIS 19 CO 0.28 -0.35 0.80 0.42 -0.65 0.00 0.00 174.74 175.23 1zre s ILE 20 N 1.71 4.35 0.11 0.89 1.09 -1.26 -0.07 121.20 128.01 1zre s ILE 20 Ca 0.06 1.75 0.04 0.00 -1.10 0.00 0.00 60.65 61.40 1zre s ILE 20 Cb -0.17 -4.16 -0.04 0.00 -1.06 0.00 0.00 42.46 37.03 1zre s ILE 20 CO 0.10 0.51 -0.10 -1.00 -0.10 0.00 0.00 174.94 174.35 1zre s HIS 21 N -1.08 1.10 -0.01 3.97 3.76 0.16 -4.95 115.29 118.23 1zre s HIS 21 Ca 0.37 -0.71 0.07 0.00 -0.15 0.00 0.00 55.06 54.63 1zre s HIS 21 Cb -0.23 -0.59 -0.02 0.00 1.11 0.00 0.00 32.58 32.85 1zre s HIS 21 CO 0.27 0.01 -0.21 0.15 -0.85 0.00 0.00 174.74 174.10 1zre s LYS 22 N -3.17 1.66 -0.05 1.40 1.02 -1.26 0.26 119.74 119.60 1zre s LYS 22 Ca 0.09 -0.77 0.02 0.00 0.02 0.00 0.00 55.97 55.33 1zre s LYS 22 Cb -0.00 -1.63 0.01 0.00 -0.52 0.00 0.00 37.83 35.69 1zre s LYS 22 CO -0.00 0.44 -0.10 0.71 -0.92 0.00 0.00 175.35 175.47 1zre s TYR 23 N -0.53 1.24 0.61 3.18 1.51 -0.42 -4.98 117.35 117.97 1zre s TYR 23 Ca 0.08 -0.41 -0.16 0.00 -1.01 0.00 0.00 57.07 55.57 1zre s TYR 23 Cb -0.08 -0.92 -0.02 0.00 -0.11 0.00 0.00 41.96 40.82 1zre s TYR 23 CO -0.00 -0.22 1.09 -1.25 -1.11 0.00 0.00 175.55 174.05 1zre s PRO 24 N 0.59 3.09 0.68 -1.71 0.04 -1.26 -0.81 135.00 135.63 1zre s PRO 24 Ca -0.11 1.34 -0.17 0.00 0.04 0.00 0.00 61.00 62.10 1zre s PRO 24 Cb -0.14 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 1zre s PRO 24 CO 0.02 -1.01 0.69 -1.13 0.04 0.00 0.00 177.00 175.61 1zre n SER 25 N -2.09 -0.53 0.00 6.66 3.41 -1.25 -1.91 113.62 117.90 1zre n SER 25 Ca 0.10 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 1zre n SER 25 Cb 0.52 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 1zre n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1zre n LYS 26 N -0.93 0.00 -1.42 4.33 5.02 0.16 -4.95 118.16 120.37 1zre n LYS 26 Ca 0.11 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.10 1zre n LYS 26 Cb 0.49 -2.33 0.10 0.00 -0.02 0.00 0.00 35.03 33.27 1zre n LYS 26 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1zre s SER 27 N -3.33 4.33 -0.18 4.39 1.04 -0.80 -4.66 113.70 114.47 1zre s SER 27 Ca 0.00 1.46 -0.12 0.00 0.48 0.00 0.00 55.95 57.77 1zre s SER 27 Cb 0.00 -2.20 -0.05 0.00 0.10 0.00 0.00 66.02 63.87 1zre s SER 27 CO 0.00 -2.10 0.21 -0.89 0.98 0.00 0.00 173.24 171.45 1zre s THR 28 N -3.05 5.36 -0.25 2.02 2.01 -1.26 -1.11 115.64 119.36 1zre s THR 28 Ca 0.61 0.37 -0.02 0.00 0.31 0.00 0.00 61.69 62.96 1zre s THR 28 Cb -0.16 -3.55 -0.15 0.00 0.01 0.00 0.00 72.50 68.66 1zre s THR 28 CO 0.55 0.41 -0.25 0.18 -0.69 0.00 0.00 174.62 174.82 1zre n LEU 29 N 3.57 2.66 -4.13 4.42 4.32 0.14 -4.97 117.00 123.01 1zre n LEU 29 Ca -0.14 -0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.59 1zre n LEU 29 Cb 0.52 -0.83 -0.16 0.00 -1.62 0.00 0.00 43.42 41.33 1zre n LEU 29 CO 0.38 0.81 -0.50 -0.63 -1.22 0.00 0.00 177.39 176.23 1zre s ILE 30 N -2.49 1.43 -0.26 -0.08 1.09 -1.04 -4.95 121.20 114.90 1zre s ILE 30 Ca -0.34 -0.71 -0.09 0.00 -1.10 0.00 0.00 60.65 58.41 1zre s ILE 30 Cb 0.10 -1.23 -0.04 0.00 -1.06 0.00 0.00 42.46 40.23 1zre s ILE 30 CO 0.53 0.41 0.12 -1.00 -0.10 0.00 0.00 174.94 174.90 1zre s HIS 31 N 0.07 3.14 0.30 3.97 3.76 -1.26 -1.54 115.29 123.73 1zre s HIS 31 Ca -0.05 -0.21 -0.30 0.00 -0.15 0.00 0.00 55.06 54.36 1zre s HIS 31 Cb -0.12 -2.29 -0.11 0.00 1.11 0.00 0.00 32.58 31.17 1zre s HIS 31 CO 0.02 -0.27 1.58 -1.14 -0.85 0.00 0.00 174.74 174.08 1zre s GLN 32 N 1.65 4.12 0.00 1.40 0.74 -1.19 -2.55 119.66 123.83 1zre s GLN 32 Ca 0.07 2.57 0.00 0.00 0.05 0.00 0.00 55.36 58.05 1zre s GLN 32 Cb -0.15 -3.02 0.00 0.00 1.10 0.00 0.00 33.01 30.94 1zre s GLN 32 CO 0.06 -0.62 0.00 0.41 -0.55 0.00 0.00 175.29 174.60 1zre n GLY 33 N 1.98 2.45 3.70 2.59 0.00 -0.72 -4.94 105.19 110.26 1zre n GLY 33 Ca 0.07 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1zre n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1zre s GLU 34 N 0.00 0.68 0.04 1.61 2.02 -1.06 -4.50 118.70 117.50 1zre s GLU 34 Ca 0.00 0.54 -0.30 0.00 0.02 0.00 0.00 54.97 55.23 1zre s GLU 34 Cb 0.00 -1.76 -0.06 0.00 0.10 0.00 0.00 34.13 32.41 1zre s GLU 34 CO 0.00 -2.56 1.25 0.15 0.02 0.00 0.00 175.26 174.12 1zre s LYS 35 N -5.00 4.38 -0.34 1.61 -0.14 -1.26 0.08 119.74 119.07 1zre s LYS 35 Ca 0.65 1.82 -0.23 0.00 -1.36 0.00 0.00 55.97 56.85 1zre s LYS 35 Cb -0.18 -3.40 0.00 0.00 -1.68 0.00 0.00 37.83 32.58 1zre s LYS 35 CO 0.57 -0.35 0.75 0.00 -0.76 0.00 0.00 175.35 175.55 1zre s ALA 36 N 1.42 3.47 0.00 5.17 0.00 -0.44 -4.79 121.76 126.59 1zre s ALA 36 Ca 0.60 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.93 1zre s ALA 36 Cb -0.30 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1zre s ALA 36 CO 0.28 -1.35 0.40 0.39 0.00 0.00 0.00 175.76 175.48 1zre n GLU 37 N 6.25 0.00 -4.12 0.00 1.02 -1.26 -4.75 120.64 117.78 1zre n GLU 37 Ca 0.02 -0.40 -0.15 0.00 -0.02 0.00 0.00 57.16 56.61 1zre n GLU 37 Cb 0.48 -0.42 -0.13 0.00 -0.02 0.00 0.00 31.44 31.35 1zre n GLU 37 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1zre s THR 38 N 0.00 0.45 -0.09 2.62 2.01 -1.26 -1.52 115.64 117.85 1zre s THR 38 Ca 0.00 -0.51 -0.03 0.00 0.31 0.00 0.00 61.69 61.46 1zre s THR 38 Cb 0.00 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 72.04 1zre s THR 38 CO 0.00 -0.05 0.03 -0.22 -0.69 0.00 0.00 174.62 173.69 1zre s LEU 39 N -0.62 3.76 0.08 4.42 2.96 0.44 -4.75 118.68 124.97 1zre s LEU 39 Ca -0.02 0.21 0.08 0.00 -0.22 0.00 0.00 54.13 54.18 1zre s LEU 39 Cb -0.05 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1zre s LEU 39 CO 0.00 0.38 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.92 1zre s TYR 40 N -0.93 2.56 -0.09 5.38 1.51 0.95 -1.06 117.35 125.66 1zre s TYR 40 Ca 0.14 -0.25 -0.03 0.00 -1.01 0.00 0.00 57.07 55.92 1zre s TYR 40 Cb -0.11 -1.41 0.04 0.00 -0.11 0.00 0.00 41.96 40.37 1zre s TYR 40 CO 0.03 0.32 0.07 -0.47 -1.11 0.00 0.00 175.55 174.39 1zre s TYR 41 N -1.04 0.18 -0.38 2.71 6.14 0.22 0.46 117.35 125.63 1zre s TYR 41 Ca 0.16 -0.00 -0.29 0.00 0.64 0.00 0.00 57.07 57.58 1zre s TYR 41 Cb -0.11 -0.59 0.01 0.00 0.42 0.00 0.00 41.96 41.69 1zre s TYR 41 CO 0.08 -0.32 1.35 0.42 0.64 0.00 0.00 175.55 177.72 1zre s ILE 42 N 2.14 4.00 0.00 3.14 1.01 0.09 -0.36 121.20 131.21 1zre s ILE 42 Ca 0.04 1.06 -0.07 0.00 0.00 0.00 0.00 60.65 61.67 1zre s ILE 42 Cb -0.14 -4.22 -0.30 0.00 0.01 0.00 0.00 42.46 37.81 1zre s ILE 42 CO -0.05 -0.69 0.87 0.58 0.00 0.00 0.00 174.94 175.64 1zre h VAL 43 N 6.29 1.16 -2.25 2.92 2.07 -1.25 0.12 116.25 125.31 1zre h VAL 43 Ca -0.27 -2.74 -0.05 0.00 0.82 0.00 0.00 66.70 64.46 1zre h VAL 43 Cb 1.10 2.83 -0.22 0.00 -1.52 0.00 0.00 31.29 33.48 1zre h VAL 43 CO 1.07 0.84 -0.04 -0.75 0.02 0.00 0.00 177.57 178.71 1zre s LYS 44 N -2.61 0.67 0.00 1.57 2.20 -0.75 -4.72 119.74 116.10 1zre s LYS 44 Ca -0.10 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.44 1zre s LYS 44 Cb 0.06 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 1zre s LYS 44 CO 0.87 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 176.16 1zre n GLY 45 N 3.35 -1.45 3.11 5.54 0.00 -1.26 -0.28 105.19 114.19 1zre n GLY 45 Ca -0.17 -2.19 -0.10 0.00 0.00 0.00 0.00 46.02 43.56 1zre n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zre s SER 46 N -1.93 0.09 0.40 1.61 1.04 -1.26 -2.92 113.70 110.73 1zre s SER 46 Ca 0.00 -0.34 0.04 0.00 0.48 0.00 0.00 55.95 56.12 1zre s SER 46 Cb 0.00 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.30 1zre s SER 46 CO 0.00 -0.42 0.11 0.68 0.98 0.00 0.00 173.24 174.59 1zre s VAL 47 N -1.86 0.73 -0.09 5.02 -7.23 0.54 -0.87 120.40 116.63 1zre s VAL 47 Ca -0.11 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.08 1zre s VAL 47 Cb -0.05 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.49 1zre s VAL 47 CO -0.01 0.00 -0.14 0.00 -0.31 0.00 0.00 175.10 174.64 1zre s ALA 48 N -3.21 1.56 -0.19 1.32 0.00 0.75 -1.59 121.76 120.40 1zre s ALA 48 Ca 0.25 -0.63 -0.17 0.00 0.00 0.00 0.00 51.96 51.41 1zre s ALA 48 Cb 0.04 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1zre s ALA 48 CO 0.14 0.00 0.43 0.08 0.00 0.00 0.00 175.76 176.41 1zre s VAL 49 N 0.86 5.18 0.02 0.00 1.01 0.21 -1.96 120.40 125.72 1zre s VAL 49 Ca -0.10 0.79 -0.12 0.00 0.00 0.00 0.00 61.98 62.55 1zre s VAL 49 Cb -0.15 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.48 1zre s VAL 49 CO 0.01 0.25 0.26 -1.48 0.00 0.00 0.00 175.10 174.14 1zre s LEU 50 N 1.27 1.05 0.12 3.92 0.05 0.04 -0.14 118.68 124.99 1zre s LEU 50 Ca 0.21 -0.16 0.10 0.00 0.05 0.00 0.00 54.13 54.33 1zre s LEU 50 Cb -0.15 1.17 -0.04 0.00 -2.05 0.00 0.00 46.19 45.12 1zre s LEU 50 CO 0.08 -0.53 -0.24 0.27 -0.55 0.00 0.00 176.35 175.39 1zre s ILE 51 N -2.10 2.46 0.16 1.48 -4.36 -0.36 -0.41 121.20 118.07 1zre s ILE 51 Ca -0.08 -1.63 0.07 0.00 -0.26 0.00 0.00 60.65 58.75 1zre s ILE 51 Cb -0.03 -2.09 -0.04 0.00 1.25 0.00 0.00 42.46 41.55 1zre s ILE 51 CO -0.01 0.12 -0.02 -0.54 0.24 0.00 0.00 174.94 174.74 1zre s LYS 52 N -2.01 2.37 0.62 0.37 1.02 -1.26 -0.76 119.74 120.09 1zre s LYS 52 Ca 0.15 -1.08 0.03 0.00 0.02 0.00 0.00 55.97 55.10 1zre s LYS 52 Cb -0.10 -2.36 0.12 0.00 -0.52 0.00 0.00 37.83 34.96 1zre s LYS 52 CO 0.07 0.47 0.86 -0.40 -0.92 0.00 0.00 175.35 175.43 1zre n ASP 53 N 0.06 1.52 -0.32 2.83 3.85 0.24 -4.93 116.55 119.80 1zre n ASP 53 Ca -0.10 -2.20 0.07 0.00 -0.71 0.00 0.00 54.79 51.85 1zre n ASP 53 Cb 0.54 -0.52 0.27 0.00 -1.35 0.00 0.00 41.12 40.06 1zre n ASP 53 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 1zre h GLU 54 N 0.00 0.92 -0.13 0.11 9.09 -2.01 -1.64 114.58 120.91 1zre h GLU 54 Ca -0.29 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.07 1zre h GLU 54 Cb 1.14 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 28.04 1zre h GLU 54 CO 0.34 0.61 0.00 0.39 0.05 0.00 0.00 179.01 180.40 1zre n GLU 55 N -4.56 1.65 0.00 1.06 1.02 -1.26 -4.92 120.64 113.63 1zre n GLU 55 Ca 0.17 -0.97 0.00 0.00 -0.02 0.00 0.00 57.16 56.33 1zre n GLU 55 Cb 0.33 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1zre n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1zre n GLY 56 N 1.10 0.07 3.68 0.62 0.00 -0.62 -5.05 105.19 105.00 1zre n GLY 56 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 1zre n GLY 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1zre n LYS 57 N -1.93 2.21 -4.04 1.61 5.02 -1.26 -4.58 118.16 115.18 1zre n LYS 57 Ca 0.00 0.79 -0.35 0.00 -2.02 0.00 0.00 58.31 56.73 1zre n LYS 57 Cb 0.00 -2.50 -0.07 0.00 -0.02 0.00 0.00 35.03 32.44 1zre n LYS 57 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1zre s GLU 58 N -0.02 3.23 -0.18 1.97 2.02 -1.26 -0.59 118.70 123.87 1zre s GLU 58 Ca 0.70 -0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.36 1zre s GLU 58 Cb -0.62 -2.99 0.04 0.00 0.10 0.00 0.00 34.13 30.66 1zre s GLU 58 CO 0.46 0.70 -0.07 1.41 0.02 0.00 0.00 175.26 177.77 1zre s MET 59 N -1.43 1.68 -0.18 1.61 1.75 0.06 -4.59 119.30 118.19 1zre s MET 59 Ca 0.20 -0.65 -0.29 0.00 -1.25 0.00 0.00 55.69 53.70 1zre s MET 59 Cb -0.12 -2.17 0.00 0.00 2.84 0.00 0.00 34.83 35.38 1zre s MET 59 CO 0.10 -0.43 1.02 0.42 -0.65 0.00 0.00 175.02 175.48 1zre s ILE 60 N 1.54 4.73 -0.08 10.11 1.01 0.28 -1.22 121.20 137.56 1zre s ILE 60 Ca -0.00 2.01 0.11 0.00 0.00 0.00 0.00 60.65 62.77 1zre s ILE 60 Cb -0.16 -4.30 -0.24 0.00 0.01 0.00 0.00 42.46 37.78 1zre s ILE 60 CO -0.08 -0.10 0.52 0.18 0.00 0.00 0.00 174.94 175.46 1zre n LEU 61 N 5.77 0.98 -3.62 2.97 4.77 0.80 -4.66 117.00 124.02 1zre n LEU 61 Ca 0.10 0.32 -0.04 0.00 -0.03 0.00 0.00 56.01 56.37 1zre n LEU 61 Cb 0.47 0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1zre n LEU 61 CO 0.52 0.47 1.07 -0.55 -1.33 0.00 0.00 177.39 177.57 1zre s SER 62 N -6.11 -0.10 -0.10 -1.43 0.15 -1.11 -4.95 113.70 100.05 1zre s SER 62 Ca -0.08 0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.59 1zre s SER 62 Cb 0.08 0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.45 1zre s SER 62 CO 0.81 -0.14 0.01 -0.31 1.20 0.00 0.00 173.24 174.81 1zre s TYR 63 N -1.82 3.17 0.10 3.44 2.02 -1.26 0.66 117.35 123.66 1zre s TYR 63 Ca 0.09 0.16 0.08 0.00 -0.37 0.00 0.00 57.07 57.03 1zre s TYR 63 Cb -0.01 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 1zre s TYR 63 CO -0.05 0.43 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.64 1zre s LEU 64 N -0.74 2.29 0.00 -1.29 1.43 -0.62 -4.95 118.68 114.79 1zre s LEU 64 Ca 0.12 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1zre s LEU 64 Cb -0.12 -0.88 0.00 0.00 0.03 0.00 0.00 46.19 45.22 1zre s LEU 64 CO 0.02 0.06 0.00 0.59 0.23 0.00 0.00 176.35 177.26 1zre n ASN 65 N 1.15 0.84 -4.67 2.29 3.02 -1.26 -0.34 115.26 116.29 1zre n ASN 65 Ca -0.19 -0.13 -0.44 0.00 -0.03 0.00 0.00 54.58 53.78 1zre n ASN 65 Cb 0.54 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.68 1zre n ASN 65 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1zre n GLN 66 N 0.00 2.04 0.00 3.52 7.27 -1.15 -1.07 117.38 127.99 1zre n GLN 66 Ca 0.00 0.72 0.00 0.00 0.07 0.00 0.00 57.00 57.79 1zre n GLN 66 Cb 0.00 -2.37 0.00 0.00 2.41 0.00 0.00 30.24 30.28 1zre n GLN 66 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1zre n GLY 67 N 1.93 2.35 3.82 1.69 0.00 0.03 -5.02 105.19 109.99 1zre n GLY 67 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1zre n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zre s ASP 68 N -2.19 6.98 0.03 1.61 1.01 -0.23 -4.86 116.67 119.02 1zre s ASP 68 Ca 0.00 1.38 -0.14 0.00 0.71 0.00 0.00 52.55 54.50 1zre s ASP 68 Cb 0.00 -2.41 -0.06 0.00 1.01 0.00 0.00 42.92 41.47 1zre s ASP 68 CO 0.00 -0.03 0.42 -0.36 0.21 0.00 0.00 175.17 175.41 1zre s PHE 69 N -1.64 3.69 0.14 4.23 0.40 -1.26 -0.74 117.98 122.80 1zre s PHE 69 Ca 0.46 0.96 0.08 0.00 -0.60 0.00 0.00 56.93 57.83 1zre s PHE 69 Cb -0.15 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 1zre s PHE 69 CO 0.20 0.60 -0.18 0.42 0.70 0.00 0.00 175.22 176.96 1zre s ILE 70 N -1.18 1.74 -0.76 0.64 1.01 0.17 -4.77 121.20 118.06 1zre s ILE 70 Ca 0.27 -1.80 -0.00 0.00 0.00 0.00 0.00 60.65 59.12 1zre s ILE 70 Cb -0.16 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.58 1zre s ILE 70 CO 0.15 -0.26 0.06 0.61 0.00 0.00 0.00 174.94 175.50 1zre n GLY 71 N 0.53 0.03 0.12 6.18 0.00 -1.26 -0.04 105.19 110.75 1zre n GLY 71 Ca -0.15 -0.48 -0.18 0.00 0.00 0.00 0.00 46.02 45.21 1zre n GLY 71 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1zre h GLU 72 N -0.13 0.33 0.00 1.61 3.07 -1.86 -3.35 114.58 114.25 1zre h GLU 72 Ca -0.22 -0.41 0.00 0.00 -0.50 0.00 0.00 59.36 58.23 1zre h GLU 72 Cb 1.16 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 1zre h GLU 72 CO 0.25 1.12 0.58 1.28 -1.40 0.00 0.00 179.01 180.84 1zre n LEU 73 N -4.24 0.07 -0.00 1.33 4.77 -1.26 -0.69 117.00 116.97 1zre n LEU 73 Ca -0.11 0.26 -0.20 0.00 -0.03 0.00 0.00 56.01 55.93 1zre n LEU 73 Cb 0.69 -0.12 -0.14 0.00 -2.33 0.00 0.00 43.42 41.52 1zre n LEU 73 CO 0.46 -0.29 -0.79 0.61 -1.33 0.00 0.00 177.39 176.05 1zre n GLY 74 N -1.21 -0.61 0.32 -0.72 0.00 -1.26 -4.50 105.19 97.22 1zre n GLY 74 Ca -0.00 -0.25 0.31 0.00 0.00 0.00 0.00 46.02 46.07 1zre n GLY 74 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1zre n LEU 75 N -3.42 0.30 -0.14 0.99 7.94 0.13 -2.16 117.00 120.65 1zre n LEU 75 Ca -0.30 1.49 0.11 0.00 -1.11 0.00 0.00 56.01 56.19 1zre n LEU 75 Cb 1.05 -0.73 0.57 0.00 0.53 0.00 0.00 43.42 44.84 1zre n LEU 75 CO 0.43 -1.66 0.87 0.49 -1.11 0.00 0.00 177.39 176.41 1zre n PHE 76 N -4.99 0.04 -3.60 1.96 3.01 -1.26 -4.88 117.46 107.74 1zre n PHE 76 Ca 0.35 -0.02 -0.11 0.00 1.01 0.00 0.00 57.45 58.68 1zre n PHE 76 Cb 1.23 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.64 1zre n PHE 76 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1zre s GLU 77 N -1.96 0.62 0.55 -1.08 2.12 -0.92 -5.16 118.70 112.87 1zre s GLU 77 Ca 0.32 0.39 -0.20 0.00 0.36 0.00 0.00 54.97 55.85 1zre s GLU 77 Cb 0.15 0.30 -0.05 0.00 0.26 0.00 0.00 34.13 34.79 1zre s GLU 77 CO 0.25 -0.15 1.16 -1.21 -0.54 0.00 0.00 175.26 174.78 1zre s GLU 78 N -0.49 3.30 -1.42 4.30 0.41 -1.26 -3.85 118.70 119.69 1zre s GLU 78 Ca -0.01 1.71 0.00 0.00 -0.41 0.00 0.00 54.97 56.26 1zre s GLU 78 Cb -0.03 -2.04 0.00 0.00 -1.78 0.00 0.00 34.13 30.29 1zre s GLU 78 CO -0.01 -0.92 0.00 0.41 -0.49 0.00 0.00 175.26 174.26 1zre n GLY 79 N 0.30 1.20 3.82 -1.39 0.00 -1.26 -5.01 105.19 102.86 1zre n GLY 79 Ca 0.12 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 1zre n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1zre s GLN 80 N -3.39 4.23 0.21 1.61 -1.52 -1.25 -4.98 119.66 114.57 1zre s GLN 80 Ca 0.00 1.01 0.07 0.00 -1.95 0.00 0.00 55.36 54.50 1zre s GLN 80 Cb 0.00 -2.41 -0.04 0.00 -0.22 0.00 0.00 33.01 30.34 1zre s GLN 80 CO 0.00 0.11 0.06 -1.21 -0.25 0.00 0.00 175.29 174.00 1zre s GLU 81 N -2.84 2.58 0.23 2.91 2.02 -1.26 -1.33 118.70 121.02 1zre s GLU 81 Ca 0.56 -1.12 -0.32 0.00 0.02 0.00 0.00 54.97 54.12 1zre s GLU 81 Cb -0.12 -2.41 -0.12 0.00 0.10 0.00 0.00 34.13 31.58 1zre s GLU 81 CO 0.17 0.43 1.66 0.54 0.02 0.00 0.00 175.26 178.08 1zre n ARG 82 N -0.55 2.68 0.14 1.61 5.12 0.11 -4.76 116.66 121.01 1zre n ARG 82 Ca -0.08 0.96 0.13 0.00 -1.93 0.00 0.00 57.85 56.93 1zre n ARG 82 Cb 0.56 -2.78 0.34 0.00 -1.16 0.00 0.00 32.46 29.43 1zre n ARG 82 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1zre h SER 83 N 5.99 0.00 -5.05 0.55 4.64 -1.91 -1.91 113.55 115.87 1zre h SER 83 Ca -0.45 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.88 1zre h SER 83 Cb 1.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1zre h SER 83 CO 0.89 0.00 0.20 0.00 -0.87 0.00 0.00 176.83 177.05 1zre s ALA 84 N -3.13 -0.84 0.22 5.18 0.00 -1.26 -4.91 121.76 117.02 1zre s ALA 84 Ca 0.10 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.35 1zre s ALA 84 Cb 0.10 0.81 -0.07 0.00 0.00 0.00 0.00 23.12 23.96 1zre s ALA 84 CO 0.61 -0.99 0.56 -1.58 0.00 0.00 0.00 175.76 174.37 1zre s TRP 85 N -3.23 3.45 -0.11 0.00 0.52 0.45 -3.16 118.94 116.86 1zre s TRP 85 Ca 0.15 0.93 -0.01 0.00 0.02 0.00 0.00 56.10 57.19 1zre s TRP 85 Cb -0.05 -2.30 0.03 0.00 -1.15 0.00 0.00 33.47 30.00 1zre s TRP 85 CO 0.10 0.28 -0.04 0.08 0.02 0.00 0.00 176.95 177.39 1zre s VAL 86 N -1.77 0.80 -0.02 4.03 1.01 -0.59 -0.78 120.40 123.08 1zre s VAL 86 Ca 0.46 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.29 1zre s VAL 86 Cb -0.12 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 1zre s VAL 86 CO 0.20 0.25 -0.26 -0.60 0.00 0.00 0.00 175.10 174.70 1zre s ARG 87 N 1.79 2.13 0.21 2.72 3.52 -0.83 0.26 118.95 128.76 1zre s ARG 87 Ca 0.04 -0.93 -0.30 0.00 -0.13 0.00 0.00 55.73 54.41 1zre s ARG 87 Cb -0.13 -2.05 -0.08 0.00 -1.56 0.00 0.00 34.95 31.13 1zre s ARG 87 CO -0.07 0.55 1.01 0.00 -0.81 0.00 0.00 175.30 175.98 1zre s ALA 88 N -0.60 3.34 -0.22 6.12 0.00 -0.27 -0.18 121.76 129.97 1zre s ALA 88 Ca 0.10 0.71 -0.21 0.00 0.00 0.00 0.00 51.96 52.55 1zre s ALA 88 Cb -0.10 -3.27 -0.18 0.00 0.00 0.00 0.00 23.12 19.56 1zre s ALA 88 CO -0.01 0.02 0.15 1.63 0.00 0.00 0.00 175.76 177.55 1zre n LYS 89 N 1.81 0.57 -3.87 0.00 5.02 -0.05 0.41 118.16 122.05 1zre n LYS 89 Ca -0.00 0.55 -0.24 0.00 -2.02 0.00 0.00 58.31 56.59 1zre n LYS 89 Cb 0.47 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 1zre n LYS 89 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1zre s THR 90 N -2.38 2.09 0.49 -0.18 -4.23 -1.16 -4.35 115.64 105.91 1zre s THR 90 Ca -0.30 -1.51 -0.22 0.00 -1.18 0.00 0.00 61.69 58.48 1zre s THR 90 Cb 0.07 -2.60 -0.07 0.00 1.34 0.00 0.00 72.50 71.24 1zre s THR 90 CO 0.58 0.00 1.20 0.00 -0.54 0.00 0.00 174.62 175.86 1zre s ALA 91 N -2.65 2.91 0.08 3.99 0.00 -1.26 -3.90 121.76 120.93 1zre s ALA 91 Ca 0.39 1.00 0.06 0.00 0.00 0.00 0.00 51.96 53.41 1zre s ALA 91 Cb -0.01 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1zre s ALA 91 CO 0.23 -0.81 -0.15 0.00 0.00 0.00 0.00 175.76 175.03 1zre s GLU 93 N -1.85 2.45 -0.05 0.00 2.12 0.61 -1.30 118.70 120.68 1zre s GLU 93 Ca 0.01 -1.25 0.06 0.00 0.36 0.00 0.00 54.97 54.15 1zre s GLU 93 Cb -0.10 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.16 1zre s GLU 93 CO 0.03 -0.59 -0.25 0.08 -0.54 0.00 0.00 175.26 173.99 1zre s VAL 94 N 1.24 2.12 -0.16 3.70 1.01 0.14 -0.71 120.40 127.74 1zre s VAL 94 Ca -0.05 -1.06 -0.17 0.00 0.00 0.00 0.00 61.98 60.70 1zre s VAL 94 Cb -0.19 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1zre s VAL 94 CO -0.02 0.57 0.42 0.00 0.00 0.00 0.00 175.10 176.07 1zre s ALA 95 N -0.32 3.53 0.08 5.51 0.00 0.51 0.36 121.76 131.43 1zre s ALA 95 Ca 0.01 -0.36 0.09 0.00 0.00 0.00 0.00 51.96 51.69 1zre s ALA 95 Cb -0.12 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1zre s ALA 95 CO 0.02 -0.10 -0.21 -1.21 0.00 0.00 0.00 175.76 174.26 1zre s GLU 96 N 0.88 1.82 -0.22 0.00 2.02 0.89 -0.61 118.70 123.49 1zre s GLU 96 Ca 0.22 -1.13 -0.20 0.00 0.02 0.00 0.00 54.97 53.88 1zre s GLU 96 Cb -0.15 -2.08 0.06 0.00 0.10 0.00 0.00 34.13 32.06 1zre s GLU 96 CO 0.08 0.50 0.57 -1.50 0.02 0.00 0.00 175.26 174.94 1zre s ILE 97 N -0.99 -0.00 0.79 -1.63 2.07 -0.22 -0.27 121.20 120.94 1zre s ILE 97 Ca 0.15 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.29 1zre s ILE 97 Cb -0.10 -0.80 0.06 0.00 0.13 0.00 0.00 42.46 41.75 1zre s ILE 97 CO 0.06 0.00 1.09 -0.94 -1.91 0.00 0.00 174.94 173.24 1zre s SER 98 N 0.34 4.39 0.05 4.50 1.04 -1.26 0.17 113.70 122.93 1zre s SER 98 Ca -0.00 1.78 -0.24 0.00 0.48 0.00 0.00 55.95 57.97 1zre s SER 98 Cb -0.04 -2.48 -0.16 0.00 0.10 0.00 0.00 66.02 63.44 1zre s SER 98 CO 0.00 -2.10 1.56 1.88 0.98 0.00 0.00 173.24 175.56 1zre h TYR 99 N -1.17 0.04 -0.21 5.02 0.05 -1.61 -1.45 116.97 117.64 1zre h TYR 99 Ca -0.44 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.36 1zre h TYR 99 Cb 1.24 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 38.92 1zre h TYR 99 CO 0.56 0.22 -0.37 -0.22 -1.05 0.00 0.00 178.16 177.30 1zre h LYS 100 N -0.16 -0.30 -0.88 4.88 3.64 -1.92 0.48 116.57 122.31 1zre h LYS 100 Ca 0.01 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.57 1zre h LYS 100 Cb 0.20 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.02 1zre h LYS 100 CO -0.00 -0.20 0.57 -0.22 -2.27 0.00 0.00 179.45 177.33 1zre h LYS 101 N -0.31 0.55 -0.21 1.90 1.63 -1.94 -1.02 116.57 117.17 1zre h LYS 101 Ca 0.04 -0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 59.65 1zre h LYS 101 Cb 0.42 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1zre h LYS 101 CO -0.36 0.37 -0.51 0.35 -3.45 0.00 0.00 179.45 175.85 1zre h PHE 102 N 0.57 0.73 0.00 1.91 3.57 0.21 -2.73 116.94 121.20 1zre h PHE 102 Ca 0.45 -0.25 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1zre h PHE 102 Cb 0.88 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1zre h PHE 102 CO -0.00 0.98 -0.19 0.00 -2.23 0.00 0.00 178.31 176.86 1zre h ARG 103 N 0.46 0.00 -0.14 1.11 3.08 0.12 -1.62 114.38 117.40 1zre h ARG 103 Ca 0.02 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1zre h ARG 103 Cb 1.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 1zre h ARG 103 CO 0.10 0.19 -0.10 1.96 -1.07 0.00 0.00 179.97 181.05 1zre h GLN 104 N 0.00 0.31 -0.10 0.04 4.20 -1.21 -3.01 115.11 115.34 1zre h GLN 104 Ca -0.00 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 1zre h GLN 104 Cb 0.35 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1zre h GLN 104 CO 0.02 0.67 -0.15 -0.07 -0.67 0.00 0.00 178.83 178.64 1zre h LEU 105 N -0.04 0.15 -0.58 1.46 3.38 -1.13 -2.49 115.31 116.05 1zre h LEU 105 Ca 0.03 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1zre h LEU 105 Cb 0.60 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1zre h LEU 105 CO 0.03 0.32 0.20 0.40 0.09 0.00 0.00 178.44 179.47 1zre h ILE 106 N 0.15 1.24 0.00 1.22 2.04 -1.27 -2.79 117.51 118.10 1zre h ILE 106 Ca 0.03 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.06 1zre h ILE 106 Cb 0.36 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1zre h ILE 106 CO 0.02 0.30 -0.23 1.56 0.00 0.00 0.00 178.15 179.80 1zre h GLN 107 N 0.82 0.00 -0.94 2.37 4.20 -1.32 0.66 115.11 120.90 1zre h GLN 107 Ca 0.19 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.45 1zre h GLN 107 Cb 0.26 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 27.77 1zre h GLN 107 CO -0.01 0.23 0.57 1.33 -0.67 0.00 0.00 178.83 180.28 1zre n VAL 108 N -4.25 3.15 0.00 -0.54 0.24 -1.07 -4.62 118.33 111.24 1zre n VAL 108 Ca -0.02 -1.85 0.00 0.00 -2.04 0.00 0.00 64.34 60.43 1zre n VAL 108 Cb 0.29 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.21 1zre n VAL 108 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1zre n ASN 109 N -0.91 0.00 0.00 -1.34 4.05 -0.97 -5.02 115.26 111.07 1zre n ASN 109 Ca 0.56 0.00 0.02 0.00 0.45 0.00 0.00 54.58 55.60 1zre n ASN 109 Cb 1.62 0.00 0.09 0.00 1.23 0.00 0.00 39.78 42.72 1zre n ASN 109 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1zre n PRO 110 N 0.00 0.33 0.18 1.20 -0.04 0.23 -2.76 135.00 134.13 1zre n PRO 110 Ca 0.00 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1zre n PRO 110 Cb 0.00 -1.15 0.32 0.00 -0.04 0.00 0.00 33.50 32.64 1zre n PRO 110 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1zre h ASP 111 N 0.00 0.00 0.88 3.54 3.58 -1.92 -2.04 116.42 120.47 1zre h ASP 111 Ca 0.00 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 1zre h ASP 111 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1zre h ASP 111 CO 0.00 0.43 -0.24 -0.29 -2.88 0.00 0.00 179.24 176.26 1zre h ILE 112 N 0.00 0.60 0.02 2.25 6.09 -1.87 -2.24 117.51 122.37 1zre h ILE 112 Ca -0.00 -1.15 -0.23 0.00 -1.37 0.00 0.00 64.86 62.11 1zre h ILE 112 Cb 0.82 1.77 -0.03 0.00 0.47 0.00 0.00 36.82 39.85 1zre h ILE 112 CO 0.06 0.24 -1.15 0.25 -3.07 0.00 0.00 178.15 174.47 1zre h LEU 113 N 0.00 0.06 -0.59 2.19 6.46 -1.63 -2.84 115.31 118.96 1zre h LEU 113 Ca -0.00 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.66 1zre h LEU 113 Cb 0.75 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.63 1zre h LEU 113 CO 0.03 1.06 0.28 -0.03 -0.62 0.00 0.00 178.44 179.16 1zre h MET 114 N 0.01 0.86 -0.06 1.25 4.05 -0.83 0.17 114.93 120.38 1zre h MET 114 Ca -0.07 -0.13 -0.13 0.00 -0.28 0.00 0.00 59.70 59.09 1zre h MET 114 Cb 1.84 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 32.47 1zre h MET 114 CO 0.13 0.70 -0.56 -0.09 0.23 0.00 0.00 176.91 177.32 1zre h ARG 115 N 0.81 0.17 0.34 0.39 2.43 -1.48 0.22 114.38 117.25 1zre h ARG 115 Ca 0.20 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1zre h ARG 115 Cb 0.13 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1zre h ARG 115 CO -0.02 0.68 -0.16 1.25 -1.51 0.00 0.00 179.97 180.20 1zre h LEU 116 N 0.13 -0.38 -1.46 3.80 7.12 -1.18 -2.52 115.31 120.81 1zre h LEU 116 Ca -0.00 -0.13 0.06 0.00 0.13 0.00 0.00 57.88 57.93 1zre h LEU 116 Cb 1.02 0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 41.21 1zre h LEU 116 CO 0.08 -0.07 0.42 0.28 -0.13 0.00 0.00 178.44 179.03 1zre h SER 117 N -0.72 0.58 -0.82 1.25 0.02 -0.59 -1.18 113.55 112.09 1zre h SER 117 Ca -0.05 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1zre h SER 117 Cb 0.49 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 1zre h SER 117 CO 0.08 0.38 0.52 0.00 -1.14 0.00 0.00 176.83 176.66 1zre h ALA 118 N 1.65 1.05 -0.26 3.77 0.00 -0.78 -0.66 119.26 124.02 1zre h ALA 118 Ca 0.27 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1zre h ALA 118 Cb 0.23 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1zre h ALA 118 CO -0.08 0.49 -0.49 1.96 0.00 0.00 0.00 179.25 181.13 1zre h GLN 119 N 1.12 0.72 0.18 0.00 4.20 -0.80 -2.75 115.11 117.78 1zre h GLN 119 Ca 0.30 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 1zre h GLN 119 Cb -0.08 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1zre h GLN 119 CO -0.06 1.04 -0.08 0.52 -0.67 0.00 0.00 178.83 179.58 1zre h MET 120 N 0.57 -0.23 -0.54 1.46 2.86 -0.97 -0.14 114.93 117.94 1zre h MET 120 Ca 0.03 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.79 1zre h MET 120 Cb 1.05 0.05 -0.09 0.00 0.06 0.00 0.00 31.60 32.67 1zre h MET 120 CO 0.10 -0.08 -0.03 0.00 1.06 0.00 0.00 176.91 177.96 1zre h ALA 121 N 0.48 0.48 -0.37 6.32 0.00 -1.09 0.26 119.26 125.33 1zre h ALA 121 Ca -0.02 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1zre h ALA 121 Cb 0.26 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1zre h ALA 121 CO 0.04 -0.40 0.13 -0.09 0.00 0.00 0.00 179.25 178.93 1zre h ARG 122 N 0.08 0.28 -0.65 0.00 9.65 -1.25 -1.10 114.38 121.39 1zre h ARG 122 Ca 0.27 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.14 1zre h ARG 122 Cb 0.42 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.91 1zre h ARG 122 CO -0.48 0.19 0.41 0.00 2.80 0.00 0.00 179.97 182.88 1zre h ARG 123 N 0.29 0.87 -0.46 0.20 3.08 0.11 -0.14 114.38 118.33 1zre h ARG 123 Ca 0.17 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 1zre h ARG 123 Cb 0.15 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1zre h ARG 123 CO -0.17 0.60 0.06 1.25 -1.07 0.00 0.00 179.97 180.63 1zre h LEU 124 N 0.89 0.75 0.03 3.04 5.85 0.24 0.59 115.31 126.69 1zre h LEU 124 Ca 0.24 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1zre h LEU 124 Cb -0.06 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1zre h LEU 124 CO -0.05 0.83 -0.09 1.56 -0.34 0.00 0.00 178.44 180.35 1zre h GLN 125 N 0.64 -0.17 -0.78 1.25 4.20 -0.33 0.89 115.11 120.81 1zre h GLN 125 Ca 0.14 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1zre h GLN 125 Cb 0.41 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 1zre h GLN 125 CO 0.01 -0.11 0.37 0.28 -0.67 0.00 0.00 178.83 178.70 1zre h VAL 126 N -0.18 1.25 -0.07 -0.54 2.07 -0.92 -1.15 116.25 116.71 1zre h VAL 126 Ca 0.03 -0.72 -0.17 0.00 0.82 0.00 0.00 66.70 66.67 1zre h VAL 126 Cb 0.21 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1zre h VAL 126 CO -0.08 0.30 -0.68 0.74 0.02 0.00 0.00 177.57 177.87 1zre h THR 127 N 1.11 1.40 -0.45 2.57 2.02 -0.63 -1.34 112.91 117.59 1zre h THR 127 Ca 0.27 -2.12 -0.10 0.00 0.77 0.00 0.00 66.41 65.23 1zre h THR 127 Cb 0.13 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1zre h THR 127 CO -0.03 0.63 -0.11 0.28 0.37 0.00 0.00 175.52 176.66 1zre h SER 128 N 0.21 0.87 0.11 4.18 0.02 -0.66 -1.69 113.55 116.60 1zre h SER 128 Ca -0.02 -0.36 -0.04 0.00 -0.84 0.00 0.00 61.79 60.53 1zre h SER 128 Cb 1.23 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1zre h SER 128 CO 0.11 1.03 -0.14 -0.08 -1.14 0.00 0.00 176.83 176.61 1zre h GLU 129 N 0.70 0.07 -0.45 3.45 4.81 -1.02 -0.88 114.58 121.26 1zre h GLU 129 Ca 0.11 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 1zre h GLU 129 Cb 0.65 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1zre h GLU 129 CO 0.04 0.21 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.24 1zre h LYS 130 N 0.06 0.85 -0.65 1.92 3.64 -0.74 -1.46 116.57 120.20 1zre h LYS 130 Ca 0.01 -0.31 0.06 0.00 -1.27 0.00 0.00 60.65 59.14 1zre h LYS 130 Cb 0.29 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 1zre h LYS 130 CO 0.02 0.94 0.35 0.28 -2.27 0.00 0.00 179.45 178.77 1zre h VAL 131 N 0.69 0.96 0.02 2.00 2.07 -0.29 -0.24 116.25 121.46 1zre h VAL 131 Ca 0.12 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.44 1zre h VAL 131 Cb 0.61 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1zre h VAL 131 CO 0.04 0.12 -0.15 1.23 0.02 0.00 0.00 177.57 178.82 1zre h GLY 132 N 0.65 -0.22 0.56 2.17 0.00 -0.92 -0.08 103.07 105.23 1zre h GLY 132 Ca 0.29 0.18 0.08 0.00 0.00 0.00 0.00 47.33 47.88 1zre h GLY 132 CO -0.18 -0.15 0.37 3.43 0.00 0.00 0.00 176.54 180.00 1zre h ASN 133 N -0.27 0.51 -0.34 0.19 2.35 -0.40 1.24 115.58 118.86 1zre h ASN 133 Ca 0.04 0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 1zre h ASN 133 Cb 0.32 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1zre h ASN 133 CO -0.13 0.31 -0.09 -0.07 -1.65 0.00 0.00 177.43 175.80 1zre h LEU 134 N 0.65 0.74 0.01 1.61 3.38 -0.80 -0.17 115.31 120.72 1zre h LEU 134 Ca 0.33 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1zre h LEU 134 Cb 0.29 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1zre h LEU 134 CO -0.23 0.86 -0.00 0.00 0.09 0.00 0.00 178.44 179.16 1zre h ALA 135 N 1.21 -0.01 0.00 1.53 0.00 0.30 -3.40 119.26 118.89 1zre h ALA 135 Ca 0.12 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1zre h ALA 135 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1zre h ALA 135 CO 0.03 -0.09 -1.18 1.19 0.00 0.00 0.00 179.25 179.20 1zre n PHE 136 N -4.70 0.20 -4.50 0.00 3.72 0.41 -4.97 117.46 107.62 1zre n PHE 136 Ca -0.09 0.06 -0.32 0.00 -0.05 0.00 0.00 57.45 57.05 1zre n PHE 136 Cb 0.39 -0.39 -0.11 0.00 -0.94 0.00 0.00 39.48 38.43 1zre n PHE 136 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1zre s LEU 137 N -3.91 3.04 0.77 4.37 1.43 -0.08 -5.03 118.68 119.27 1zre s LEU 137 Ca 0.02 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.80 1zre s LEU 137 Cb 0.14 -1.76 0.06 0.00 0.03 0.00 0.00 46.19 44.67 1zre s LEU 137 CO 0.83 0.27 1.13 1.51 0.23 0.00 0.00 176.35 180.33 1zre s ASP 138 N -1.44 4.81 0.24 2.29 3.84 -1.26 -4.72 116.67 120.42 1zre s ASP 138 Ca 0.17 0.83 -0.05 0.00 -0.00 0.00 0.00 52.55 53.50 1zre s ASP 138 Cb -0.11 -1.44 0.43 0.00 -1.38 0.00 0.00 42.92 40.43 1zre s ASP 138 CO 0.07 -1.71 1.71 0.58 -0.00 0.00 0.00 175.17 175.82 1zre h VAL 139 N -0.88 0.60 -0.31 2.11 2.07 -1.97 0.13 116.25 117.99 1zre h VAL 139 Ca -0.46 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 66.97 1zre h VAL 139 Cb 1.31 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1zre h VAL 139 CO 0.65 0.06 0.15 0.74 0.02 0.00 0.00 177.57 179.19 1zre h THR 140 N 0.34 0.98 -0.23 2.57 2.02 -1.98 0.28 112.91 116.90 1zre h THR 140 Ca 0.40 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.52 1zre h THR 140 Cb 0.64 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.64 1zre h THR 140 CO -0.45 0.06 -0.10 1.23 0.37 0.00 0.00 175.52 176.64 1zre h GLY 141 N 0.32 0.11 0.98 2.16 0.00 -1.33 0.51 103.07 105.81 1zre h GLY 141 Ca 0.13 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1zre h GLY 141 CO -0.09 -0.12 0.26 3.21 0.00 0.00 0.00 176.54 179.80 1zre h ARG 142 N -0.06 0.63 -0.65 4.80 3.08 -0.35 -1.25 114.38 120.59 1zre h ARG 142 Ca 0.12 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 1zre h ARG 142 Cb 0.24 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1zre h ARG 142 CO -0.27 0.49 0.24 0.82 -1.07 0.00 0.00 179.97 180.18 1zre h ILE 143 N 0.61 1.24 -0.47 2.04 2.04 -0.06 0.03 117.51 122.94 1zre h ILE 143 Ca 0.16 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1zre h ILE 143 Cb 0.03 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1zre h ILE 143 CO -0.03 0.31 0.28 0.00 0.00 0.00 0.00 178.15 178.71 1zre h ALA 144 N 1.10 0.60 -0.19 1.87 0.00 -0.75 -1.51 119.26 120.38 1zre h ALA 144 Ca 0.21 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1zre h ALA 144 Cb 0.23 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1zre h ALA 144 CO -0.01 0.09 -0.06 0.37 0.00 0.00 0.00 179.25 179.63 1zre h GLN 145 N 0.62 -0.02 -0.58 0.00 5.75 -0.73 -2.25 115.11 117.90 1zre h GLN 145 Ca 0.17 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.61 1zre h GLN 145 Cb -0.00 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1zre h GLN 145 CO -0.03 -0.02 0.13 1.15 -2.65 0.00 0.00 178.83 177.41 1zre h THR 146 N -0.02 1.25 -0.79 2.39 2.02 -0.68 -1.97 112.91 115.11 1zre h THR 146 Ca 0.10 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.36 1zre h THR 146 Cb 0.17 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1zre h THR 146 CO -0.21 0.34 0.49 -0.07 0.37 0.00 0.00 175.52 176.43 1zre h LEU 147 N 0.84 0.93 -0.49 2.58 3.38 -1.11 0.26 115.31 121.69 1zre h LEU 147 Ca 0.18 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1zre h LEU 147 Cb 0.36 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1zre h LEU 147 CO 0.00 0.70 0.12 -0.07 0.09 0.00 0.00 178.44 179.29 1zre h LEU 148 N 1.08 0.75 -0.13 1.67 4.07 -1.10 0.18 115.31 121.82 1zre h LEU 148 Ca 0.28 -0.23 -0.08 0.00 0.08 0.00 0.00 57.88 57.94 1zre h LEU 148 Cb -0.07 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.47 1zre h LEU 148 CO -0.06 0.78 -0.23 0.78 -1.08 0.00 0.00 178.44 178.63 1zre h ASN 149 N 0.67 0.42 -0.93 -0.43 -0.26 -0.85 -3.01 115.58 111.19 1zre h ASN 149 Ca 0.16 -0.55 0.03 0.00 -0.56 0.00 0.00 56.30 55.37 1zre h ASN 149 Cb 0.32 -0.12 -0.05 0.00 -1.06 0.00 0.00 38.32 37.41 1zre h ASN 149 CO 0.00 0.89 0.61 -0.07 -1.06 0.00 0.00 177.43 177.81 1zre h LEU 150 N -0.03 1.03 -0.37 1.61 3.38 -0.46 -0.88 115.31 119.59 1zre h LEU 150 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1zre h LEU 150 Cb 0.82 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1zre h LEU 150 CO 0.05 0.72 0.03 0.00 0.09 0.00 0.00 178.44 179.33 1zre n ALA 151 N -2.36 0.96 0.28 1.53 0.00 0.62 -1.69 120.51 119.86 1zre n ALA 151 Ca 0.12 0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.65 1zre n ALA 151 Cb 0.06 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 1zre n ALA 151 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1zre n LYS 152 N -1.68 3.07 -0.70 0.00 5.02 -0.36 -4.87 118.16 118.63 1zre n LYS 152 Ca -0.00 -0.02 -0.32 0.00 -2.02 0.00 0.00 58.31 55.94 1zre n LYS 152 Cb 0.04 -0.99 0.16 0.00 -0.02 0.00 0.00 35.03 34.22 1zre n LYS 152 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1zre n GLN 153 N -1.37 -0.99 -0.33 1.97 6.02 -0.68 -4.88 117.38 117.12 1zre n GLN 153 Ca 0.01 -0.25 0.03 0.00 -0.01 0.00 0.00 57.00 56.77 1zre n GLN 153 Cb 0.16 -1.93 0.17 0.00 1.02 0.00 0.00 30.24 29.67 1zre n GLN 153 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1zre h PRO 154 N -1.91 0.97 0.00 -1.09 0.13 -1.94 -2.60 132.00 125.55 1zre h PRO 154 Ca -0.49 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1zre h PRO 154 Cb 1.31 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1zre h PRO 154 CO 0.38 0.64 0.00 -0.40 -0.23 0.00 0.00 178.00 178.39 1zre n ASP 155 N -4.61 0.00 -4.76 1.44 5.75 -1.26 -4.87 116.55 108.24 1zre n ASP 155 Ca 0.15 -1.22 -0.40 0.00 -0.01 0.00 0.00 54.79 53.31 1zre n ASP 155 Cb 0.23 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.28 1zre n ASP 155 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1zre s ALA 156 N -2.00 3.38 0.09 2.12 0.00 -0.98 -4.93 121.76 119.43 1zre s ALA 156 Ca 0.35 0.89 -0.05 0.00 0.00 0.00 0.00 51.96 53.16 1zre s ALA 156 Cb 0.16 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 1zre s ALA 156 CO 0.27 -0.18 0.32 -1.64 0.00 0.00 0.00 175.76 174.53 1zre s MET 157 N -1.55 3.59 0.39 0.00 -1.94 0.38 -4.91 119.30 115.26 1zre s MET 157 Ca 0.46 -0.13 -0.24 0.00 -1.71 0.00 0.00 55.69 54.06 1zre s MET 157 Cb -0.31 -2.96 -0.09 0.00 2.01 0.00 0.00 34.83 33.48 1zre s MET 157 CO 0.40 0.55 1.04 0.95 -0.01 0.00 0.00 175.02 177.95 1zre s THR 158 N -1.51 3.78 0.01 2.05 -4.23 -1.26 0.14 115.64 114.62 1zre s THR 158 Ca 0.36 1.37 0.00 0.00 -1.18 0.00 0.00 61.69 62.24 1zre s THR 158 Cb -0.13 -3.71 -0.01 0.00 1.34 0.00 0.00 72.50 69.99 1zre s THR 158 CO 0.22 0.01 -0.02 -2.28 -0.54 0.00 0.00 174.62 172.02 1zre s HIS 159 N -1.66 0.19 0.39 3.99 5.04 0.08 -4.70 115.29 118.62 1zre s HIS 159 Ca 0.57 -0.39 0.13 0.00 -1.54 0.00 0.00 55.06 53.83 1zre s HIS 159 Cb -0.21 -0.14 0.95 0.00 0.04 0.00 0.00 32.58 33.22 1zre s HIS 159 CO 0.27 -0.14 1.87 -1.00 -2.34 0.00 0.00 174.74 173.40 1zre h PRO 160 N 5.04 0.52 -0.48 2.88 0.13 -2.00 -1.19 132.00 136.90 1zre h PRO 160 Ca -0.30 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1zre h PRO 160 Cb 1.21 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1zre h PRO 160 CO 0.44 0.35 0.00 -0.25 -0.23 0.00 0.00 178.00 178.30 1zre n ASP 161 N -4.54 3.20 0.00 1.44 8.00 -1.26 -5.04 116.55 118.36 1zre n ASP 161 Ca 0.18 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.71 1zre n ASP 161 Cb 0.56 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 1zre n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1zre n GLY 162 N 1.46 -0.05 3.20 0.44 0.00 -0.45 -2.76 105.19 107.03 1zre n GLY 162 Ca 0.20 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 1zre n GLY 162 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1zre s MET 163 N 0.00 1.87 -0.10 1.61 1.75 -0.95 -0.74 119.30 122.74 1zre s MET 163 Ca 0.00 -0.73 0.00 0.00 -1.25 0.00 0.00 55.69 53.71 1zre s MET 163 Cb 0.00 -1.70 -0.02 0.00 2.84 0.00 0.00 34.83 35.94 1zre s MET 163 CO 0.00 0.38 -0.09 -1.14 -0.65 0.00 0.00 175.02 173.51 1zre s GLN 164 N -0.28 3.04 0.12 4.11 0.74 0.12 -0.44 119.66 127.08 1zre s GLN 164 Ca 0.03 -0.60 0.05 0.00 0.05 0.00 0.00 55.36 54.88 1zre s GLN 164 Cb -0.10 -2.62 -0.04 0.00 1.10 0.00 0.00 33.01 31.35 1zre s GLN 164 CO 0.01 0.46 -0.13 0.96 -0.55 0.00 0.00 175.29 176.04 1zre s ILE 165 N -0.27 1.25 -0.18 -2.34 -4.36 -0.35 -0.47 121.20 114.47 1zre s ILE 165 Ca 0.03 -1.74 -0.01 0.00 -0.26 0.00 0.00 60.65 58.67 1zre s ILE 165 Cb -0.13 -1.54 -0.00 0.00 1.25 0.00 0.00 42.46 42.04 1zre s ILE 165 CO 0.03 -0.48 -0.12 -0.54 0.24 0.00 0.00 174.94 174.07 1zre s LYS 166 N -2.81 3.27 -0.14 0.37 -0.14 -1.26 -1.45 119.74 117.58 1zre s LYS 166 Ca 0.09 -0.70 -0.31 0.00 -1.36 0.00 0.00 55.97 53.69 1zre s LYS 166 Cb -0.04 -2.76 0.13 0.00 -1.68 0.00 0.00 37.83 33.48 1zre s LYS 166 CO 0.02 -0.07 1.07 -1.50 -0.76 0.00 0.00 175.35 174.11 1zre s ILE 167 N 1.07 0.00 0.22 2.17 2.07 -0.47 -5.02 121.20 121.23 1zre s ILE 167 Ca -0.00 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.23 1zre s ILE 167 Cb -0.15 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.40 1zre s ILE 167 CO -0.03 0.00 0.42 0.42 -1.91 0.00 0.00 174.94 173.84 1zre s THR 168 N -2.05 5.18 0.25 4.00 -4.23 -1.26 -4.54 115.64 112.99 1zre s THR 168 Ca 0.05 -0.32 -0.04 0.00 -1.18 0.00 0.00 61.69 60.19 1zre s THR 168 Cb -0.01 -3.74 0.25 0.00 1.34 0.00 0.00 72.50 70.34 1zre s THR 168 CO -0.04 -0.20 1.89 0.03 -0.54 0.00 0.00 174.62 175.75 1zre h ARG 169 N 1.93 1.14 -0.45 3.99 3.08 -1.93 0.30 114.38 122.43 1zre h ARG 169 Ca -0.48 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 59.53 1zre h ARG 169 Cb 1.19 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.95 1zre h ARG 169 CO 0.67 0.75 0.24 0.37 -1.07 0.00 0.00 179.97 180.94 1zre h GLN 170 N 1.17 0.47 -0.11 0.04 4.15 -1.93 -0.11 115.11 118.79 1zre h GLN 170 Ca 0.39 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.68 1zre h GLN 170 Cb 0.07 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1zre h GLN 170 CO -0.14 0.31 -0.42 1.49 -1.93 0.00 0.00 178.83 178.14 1zre h GLU 171 N 0.48 0.24 -0.31 1.69 4.81 -1.65 -2.64 114.58 117.19 1zre h GLU 171 Ca 0.19 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1zre h GLU 171 Cb 0.07 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1zre h GLU 171 CO -0.12 0.62 -0.11 0.82 -0.73 0.00 0.00 179.01 179.49 1zre h ILE 172 N 0.20 1.23 0.00 2.32 2.04 0.05 -1.95 117.51 121.39 1zre h ILE 172 Ca 0.02 -1.01 -0.07 0.00 1.00 0.00 0.00 64.86 64.80 1zre h ILE 172 Cb 0.83 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1zre h ILE 172 CO 0.06 0.33 -0.35 1.23 0.00 0.00 0.00 178.15 179.43 1zre h GLY 173 N 0.92 0.00 1.56 5.37 0.00 -0.72 -1.71 103.07 108.49 1zre h GLY 173 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1zre h GLY 173 CO 0.03 0.00 -0.05 -1.06 0.00 0.00 0.00 176.54 175.46 1zre n GLN 174 N -3.75 0.31 -0.11 4.80 6.02 -0.77 0.23 117.38 124.12 1zre n GLN 174 Ca -0.01 -0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.73 1zre n GLN 174 Cb 0.44 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.08 1zre n GLN 174 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1zre n ILE 175 N -1.31 1.56 -0.00 5.09 5.41 -0.86 0.99 119.36 130.23 1zre n ILE 175 Ca 0.11 -0.51 -0.03 0.00 1.00 0.00 0.00 62.75 63.33 1zre n ILE 175 Cb 0.28 -1.62 -0.11 0.00 -0.71 0.00 0.00 39.64 37.48 1zre n ILE 175 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1zre n VAL 176 N -3.60 1.26 -0.38 1.39 0.24 -0.70 -4.80 118.33 111.73 1zre n VAL 176 Ca -0.44 -0.73 0.00 0.00 -2.04 0.00 0.00 64.34 61.12 1zre n VAL 176 Cb 0.96 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 32.59 1zre n VAL 176 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1zre n GLY 177 N 1.48 0.62 3.46 7.63 0.00 0.14 -4.94 105.19 113.58 1zre n GLY 177 Ca -0.15 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 1zre n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zre s SER 179 N -3.00 5.12 0.28 0.00 1.04 -1.26 -4.48 113.70 111.40 1zre s SER 179 Ca 0.21 1.93 -0.03 0.00 0.48 0.00 0.00 55.95 58.53 1zre s SER 179 Cb 0.01 -2.54 0.38 0.00 0.10 0.00 0.00 66.02 63.97 1zre s SER 179 CO 0.05 -1.62 1.95 0.08 0.98 0.00 0.00 173.24 174.68 1zre h ARG 180 N -0.13 1.16 -0.49 4.02 0.11 -1.89 -2.50 114.38 114.66 1zre h ARG 180 Ca -0.46 -0.08 0.09 0.00 0.10 0.00 0.00 59.98 59.63 1zre h ARG 180 Cb 1.24 -0.26 -0.08 0.00 1.11 0.00 0.00 29.97 31.98 1zre h ARG 180 CO 0.54 0.78 0.02 0.93 0.10 0.00 0.00 179.97 182.34 1zre h GLU 181 N 1.19 0.13 -0.92 0.08 3.07 -1.93 -1.18 114.58 115.03 1zre h GLU 181 Ca 0.32 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1zre h GLU 181 Cb -0.12 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.72 1zre h GLU 181 CO -0.07 0.09 0.57 1.15 -1.40 0.00 0.00 179.01 179.34 1zre h THR 182 N 0.14 1.25 -0.09 1.13 2.02 -1.83 -1.91 112.91 113.62 1zre h THR 182 Ca 0.25 -0.53 0.01 0.00 0.77 0.00 0.00 66.41 66.91 1zre h THR 182 Cb 0.36 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1zre h THR 182 CO -0.39 0.26 0.02 0.58 0.37 0.00 0.00 175.52 176.36 1zre h VAL 183 N 1.26 0.97 -0.64 3.16 2.07 -1.02 -1.01 116.25 121.05 1zre h VAL 183 Ca 0.33 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 67.94 1zre h VAL 183 Cb -0.07 0.90 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 1zre h VAL 183 CO -0.06 0.01 0.22 1.23 0.02 0.00 0.00 177.57 178.99 1zre h GLY 184 N 0.06 0.89 0.94 2.17 0.00 -0.68 0.64 103.07 107.09 1zre h GLY 184 Ca 0.04 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.16 1zre h GLY 184 CO -0.05 -0.05 -0.20 3.21 0.00 0.00 0.00 176.54 179.45 1zre h ARG 185 N 0.39 0.67 -0.43 4.80 3.08 -1.08 -1.96 114.38 119.85 1zre h ARG 185 Ca 0.33 -0.32 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 1zre h ARG 185 Cb 0.44 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1zre h ARG 185 CO -0.34 0.92 -0.11 0.82 -1.07 0.00 0.00 179.97 180.18 1zre h ILE 186 N 0.42 1.26 -0.28 2.04 2.04 -0.62 -1.83 117.51 120.53 1zre h ILE 186 Ca 0.06 -1.17 0.02 0.00 1.00 0.00 0.00 64.86 64.77 1zre h ILE 186 Cb 0.75 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1zre h ILE 186 CO 0.06 0.40 0.15 0.25 0.00 0.00 0.00 178.15 179.00 1zre h LEU 187 N 0.70 0.23 -1.63 1.44 5.85 0.39 0.12 115.31 122.40 1zre h LEU 187 Ca 0.12 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1zre h LEU 187 Cb 0.59 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1zre h LEU 187 CO 0.04 0.17 -0.11 0.11 -0.34 0.00 0.00 178.44 178.31 1zre h LYS 188 N 0.31 0.10 0.02 1.25 1.57 -0.95 -2.10 116.57 116.75 1zre h LYS 188 Ca 0.12 -0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.66 1zre h LYS 188 Cb 0.03 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1zre h LYS 188 CO -0.07 0.21 -0.94 0.52 -0.57 0.00 0.00 179.45 178.60 1zre h MET 189 N 0.09 0.28 -0.29 3.15 2.86 -0.49 -1.98 114.93 118.55 1zre h MET 189 Ca 0.02 -0.33 -0.06 0.00 -2.06 0.00 0.00 59.70 57.27 1zre h MET 189 Cb 0.26 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1zre h MET 189 CO 0.02 1.04 -0.09 -0.07 1.06 0.00 0.00 176.91 178.87 1zre h LEU 190 N 0.15 0.45 -0.48 1.22 3.38 -0.37 -2.21 115.31 117.45 1zre h LEU 190 Ca -0.07 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 1zre h LEU 190 Cb 1.59 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 1zre h LEU 190 CO 0.15 0.58 -0.48 -0.08 0.09 0.00 0.00 178.44 178.70 1zre h GLU 191 N 0.44 0.70 -0.43 1.13 4.81 -1.29 -1.71 114.58 118.23 1zre h GLU 191 Ca 0.09 -0.41 0.13 0.00 -0.13 0.00 0.00 59.36 59.03 1zre h GLU 191 Cb 0.43 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1zre h GLU 191 CO 0.02 1.03 0.34 -0.44 -0.73 0.00 0.00 179.01 179.23 1zre h ASP 192 N 0.56 0.00 -0.78 1.04 3.45 -0.76 0.76 116.42 120.70 1zre h ASP 192 Ca 0.03 0.00 -0.34 0.00 0.43 0.00 0.00 57.03 57.15 1zre h ASP 192 Cb 1.04 0.00 -0.20 0.00 -0.56 0.00 0.00 39.33 39.61 1zre h ASP 192 CO 0.10 0.00 0.38 0.00 -1.57 0.00 0.00 179.24 178.15 1zre n GLN 193 N -4.20 2.72 -3.69 3.56 6.02 -0.93 -4.93 117.38 115.92 1zre n GLN 193 Ca 0.08 -3.06 -0.27 0.00 -0.01 0.00 0.00 57.00 53.74 1zre n GLN 193 Cb 0.54 -2.12 -0.03 0.00 1.02 0.00 0.00 30.24 29.64 1zre n GLN 193 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1zre n ASN 194 N -0.78 -2.33 -0.03 1.08 3.02 0.26 -4.82 115.26 111.66 1zre n ASN 194 Ca 0.48 -0.57 -0.15 0.00 -0.03 0.00 0.00 54.58 54.31 1zre n ASN 194 Cb 1.45 -1.99 -0.14 0.00 -0.61 0.00 0.00 39.78 38.48 1zre n ASN 194 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1zre n LEU 195 N -3.63 1.70 -3.92 3.41 4.77 -0.69 -4.90 117.00 113.75 1zre n LEU 195 Ca 0.05 0.22 -0.09 0.00 -0.03 0.00 0.00 56.01 56.16 1zre n LEU 195 Cb 0.49 -0.42 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 1zre n LEU 195 CO 0.60 0.65 -0.18 0.27 -1.33 0.00 0.00 177.39 177.40 1zre s ILE 196 N -2.56 0.15 -0.11 -0.08 -4.36 -1.24 -2.22 121.20 110.79 1zre s ILE 196 Ca -0.16 -1.26 0.02 0.00 -0.26 0.00 0.00 60.65 59.00 1zre s ILE 196 Cb 0.07 -1.22 -0.01 0.00 1.25 0.00 0.00 42.46 42.55 1zre s ILE 196 CO 0.78 -0.69 -0.19 -0.55 0.24 0.00 0.00 174.94 174.52 1zre s SER 197 N -2.61 3.54 -0.08 4.36 0.15 -0.17 -4.07 113.70 114.81 1zre s SER 197 Ca 0.02 -0.44 -0.00 0.00 0.70 0.00 0.00 55.95 56.23 1zre s SER 197 Cb 0.03 -1.43 0.02 0.00 -1.71 0.00 0.00 66.02 62.94 1zre s SER 197 CO -0.08 0.18 -0.05 0.00 1.20 0.00 0.00 173.24 174.48 1zre s ALA 198 N 0.26 1.02 -0.18 5.45 0.00 -1.26 0.57 121.76 127.62 1zre s ALA 198 Ca -0.13 -0.32 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 1zre s ALA 198 Cb -0.16 -0.73 0.06 0.00 0.00 0.00 0.00 23.12 22.28 1zre s ALA 198 CO 0.07 -0.29 0.05 -1.01 0.00 0.00 0.00 175.76 174.58 1zre s HIS 199 N 1.50 0.81 0.00 0.00 3.76 0.51 -5.01 115.29 116.85 1zre s HIS 199 Ca -0.01 -0.69 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 1zre s HIS 199 Cb -0.13 -0.94 0.00 0.00 1.11 0.00 0.00 32.58 32.62 1zre s HIS 199 CO -0.04 -0.57 0.00 0.41 -0.85 0.00 0.00 174.74 173.68 1zre n GLY 200 N 5.11 3.13 0.00 -2.22 0.00 -1.26 -0.72 105.19 109.22 1zre n GLY 200 Ca -0.08 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 45.76 1zre n GLY 200 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1zre n LYS 201 N 13.96 0.18 -2.92 1.61 4.81 -1.26 -4.72 118.16 129.81 1zre n LYS 201 Ca 0.00 0.06 -0.42 0.00 -0.87 0.00 0.00 58.31 57.08 1zre n LYS 201 Cb 0.00 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.50 1zre n LYS 201 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1zre s THR 202 N -2.79 4.75 -0.14 3.15 2.01 0.10 -1.37 115.64 121.35 1zre s THR 202 Ca 0.18 1.12 0.02 0.00 0.31 0.00 0.00 61.69 63.32 1zre s THR 202 Cb 0.17 -4.19 0.01 0.00 0.01 0.00 0.00 72.50 68.50 1zre s THR 202 CO 0.42 -0.34 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.19 1zre s ILE 203 N 3.07 1.90 -0.25 1.82 1.01 -0.53 -0.37 121.20 127.85 1zre s ILE 203 Ca 0.33 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 60.01 1zre s ILE 203 Cb -0.14 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 1zre s ILE 203 CO 0.14 0.52 0.14 -0.69 0.00 0.00 0.00 174.94 175.05 1zre s VAL 204 N 0.95 5.01 -0.41 2.92 1.01 0.19 -1.22 120.40 128.86 1zre s VAL 204 Ca -0.05 0.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.83 1zre s VAL 204 Cb -0.15 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 32.89 1zre s VAL 204 CO -0.04 0.31 0.39 -0.69 0.00 0.00 0.00 175.10 175.08 1zre s VAL 205 N 1.45 5.14 0.24 2.92 1.01 0.42 -1.00 120.40 130.58 1zre s VAL 205 Ca 0.07 -0.39 -0.31 0.00 0.00 0.00 0.00 61.98 61.35 1zre s VAL 205 Cb -0.15 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 32.13 1zre s VAL 205 CO 0.07 -0.36 1.58 -0.31 0.00 0.00 0.00 175.10 176.08 1zre s TYR 206 N 2.00 2.89 -2.57 5.22 2.02 -0.94 -2.25 117.35 123.73 1zre s TYR 206 Ca 0.10 0.72 0.27 0.00 -0.37 0.00 0.00 57.07 57.79 1zre s TYR 206 Cb -0.17 -4.01 0.93 0.00 -0.40 0.00 0.00 41.96 38.31 1zre s TYR 206 CO 0.12 -3.51 1.68 0.41 -1.57 0.00 0.00 175.55 172.68