#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zre n PRO 9 N 0.00 0.00 0.00 0.11 -0.02 -1.26 -4.12 135.00 129.71 1zre n PRO 9 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1zre n PRO 9 Cb 0.00 -0.14 0.00 0.00 -0.02 0.00 0.00 33.50 33.34 1zre n PRO 9 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1zre n THR 10 N 0.00 0.00 -0.51 3.45 -1.04 -1.26 -1.08 114.28 113.84 1zre n THR 10 Ca 0.00 0.56 0.39 0.00 -2.04 0.00 0.00 64.05 62.95 1zre n THR 10 Cb 0.00 -0.81 0.60 0.00 -1.82 0.00 0.00 70.33 68.30 1zre n THR 10 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1zre n LEU 11 N -1.05 0.01 0.16 -4.42 7.94 -1.26 -0.47 117.00 117.91 1zre n LEU 11 Ca 0.00 0.75 -0.06 0.00 -1.11 0.00 0.00 56.01 55.59 1zre n LEU 11 Cb 0.00 -0.38 -0.03 0.00 0.53 0.00 0.00 43.42 43.54 1zre n LEU 11 CO 0.00 -0.76 0.43 -0.08 -1.11 0.00 0.00 177.39 175.87 1zre h GLU 12 N 0.00 -0.40 -1.73 1.96 4.22 -1.26 -3.02 114.58 114.34 1zre h GLU 12 Ca 0.69 0.03 0.51 0.00 0.08 0.00 0.00 59.36 60.67 1zre h GLU 12 Cb 2.74 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 32.01 1zre h GLU 12 CO -0.03 -0.27 1.24 1.87 -2.18 0.00 0.00 179.01 179.63 1zre n TRP 13 N -3.28 0.08 0.31 0.92 -0.00 0.38 -0.29 117.44 115.55 1zre n TRP 13 Ca -0.05 0.08 -0.17 0.00 -0.00 0.00 0.00 57.50 57.36 1zre n TRP 13 Cb 0.17 -0.52 -0.09 0.00 -0.00 0.00 0.00 31.31 30.87 1zre n TRP 13 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 177.69 178.04 1zre h PHE 14 N 0.00 -0.70 0.00 5.87 3.57 -1.52 -2.28 116.94 121.88 1zre h PHE 14 Ca 0.85 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.33 1zre h PHE 14 Cb 3.33 0.23 0.00 0.00 2.79 0.00 0.00 35.95 42.30 1zre h PHE 14 CO -0.00 -0.42 0.25 -0.07 -2.23 0.00 0.00 178.31 175.84 1zre h LEU 15 N -0.79 0.00 -2.33 0.59 3.38 -0.70 -0.97 115.31 114.49 1zre h LEU 15 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1zre h LEU 15 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1zre h LEU 15 CO 0.13 0.00 -0.03 0.28 0.09 0.00 0.00 178.44 178.91 1zre h SER 16 N 0.00 0.00 -0.01 -0.43 0.02 -1.43 -2.42 113.55 109.28 1zre h SER 16 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1zre h SER 16 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1zre h SER 16 CO 0.00 0.03 -0.06 1.41 -1.14 0.00 0.00 176.83 177.06 1zre n HIS 17 N -3.29 0.00 -3.19 3.45 8.25 -0.37 -4.99 115.22 115.09 1zre n HIS 17 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.10 1zre n HIS 17 Cb 0.17 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.22 1zre n HIS 17 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1zre n HIS 19 N 0.10 2.67 -0.74 0.00 -0.00 0.18 -4.68 115.22 112.76 1zre n HIS 19 Ca 0.00 -2.82 -0.27 0.00 0.46 0.00 0.00 57.72 55.10 1zre n HIS 19 Cb 0.52 -1.27 -0.02 0.00 -0.12 0.00 0.00 29.99 29.10 1zre n HIS 19 CO 0.00 0.00 0.00 1.51 0.46 0.00 0.00 176.34 178.31 1zre n ILE 20 N 1.45 0.69 -4.23 3.57 0.13 -1.26 -4.14 119.36 115.57 1zre n ILE 20 Ca 0.26 -0.17 -0.14 0.00 -1.10 0.00 0.00 62.75 61.60 1zre n ILE 20 Cb 0.34 0.00 -0.10 0.00 -0.84 0.00 0.00 39.64 39.04 1zre n ILE 20 CO 0.00 0.00 0.00 -1.00 2.80 0.00 0.00 176.55 178.35 1zre s HIS 21 N -0.35 1.29 -0.08 9.51 3.76 0.46 -4.94 115.29 124.95 1zre s HIS 21 Ca 0.37 -1.41 0.02 0.00 -0.15 0.00 0.00 55.06 53.90 1zre s HIS 21 Cb -0.54 -0.62 0.01 0.00 1.11 0.00 0.00 32.58 32.55 1zre s HIS 21 CO 0.29 -0.65 -0.15 0.15 -0.85 0.00 0.00 174.74 173.53 1zre s LYS 22 N -4.03 2.11 -0.13 1.40 -0.14 -1.26 -0.76 119.74 116.92 1zre s LYS 22 Ca 0.39 -0.54 0.01 0.00 -1.36 0.00 0.00 55.97 54.47 1zre s LYS 22 Cb 0.06 -1.71 0.02 0.00 -1.68 0.00 0.00 37.83 34.52 1zre s LYS 22 CO 0.15 0.04 -0.16 0.71 -0.76 0.00 0.00 175.35 175.33 1zre s TYR 23 N 0.68 2.17 0.76 3.18 1.51 0.03 -4.98 117.35 120.70 1zre s TYR 23 Ca -0.14 -1.13 -0.12 0.00 -1.01 0.00 0.00 57.07 54.67 1zre s TYR 23 Cb -0.16 -1.56 0.05 0.00 -0.11 0.00 0.00 41.96 40.18 1zre s TYR 23 CO 0.04 -0.59 1.13 -1.25 -1.11 0.00 0.00 175.55 173.77 1zre s PRO 24 N 1.19 2.16 0.87 -1.71 0.04 -1.26 -0.74 135.00 135.55 1zre s PRO 24 Ca -0.01 1.40 -0.12 0.00 0.04 0.00 0.00 61.00 62.30 1zre s PRO 24 Cb -0.14 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.61 1zre s PRO 24 CO -0.06 -1.75 0.93 0.45 0.04 0.00 0.00 177.00 176.62 1zre n SER 25 N -3.21 -0.14 0.00 6.66 2.88 -1.06 -2.25 113.62 116.50 1zre n SER 25 Ca 0.11 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1zre n SER 25 Cb 0.52 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1zre n SER 25 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1zre n LYS 26 N -2.99 0.00 -2.63 -1.46 5.02 0.59 -4.95 118.16 111.74 1zre n LYS 26 Ca 0.11 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 56.00 1zre n LYS 26 Cb 0.52 -2.12 -0.05 0.00 -0.02 0.00 0.00 35.03 33.36 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 -1.82 7.48 -0.24 4.39 1.04 -0.96 -4.68 113.70 118.91 1zre s SER 27 Ca 0.00 2.08 -0.19 0.00 0.48 0.00 0.00 55.95 58.33 1zre s SER 27 Cb 0.00 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 1zre s SER 27 CO 0.00 0.03 0.55 0.42 0.98 0.00 0.00 173.24 175.22 1zre s THR 28 N -1.15 5.05 0.05 2.02 -4.23 -1.26 -1.08 115.64 115.04 1zre s THR 28 Ca 0.43 0.97 -0.01 0.00 -1.18 0.00 0.00 61.69 61.89 1zre s THR 28 Cb -0.29 -3.86 -0.27 0.00 1.34 0.00 0.00 72.50 69.43 1zre s THR 28 CO 0.36 0.09 1.03 -0.07 -0.54 0.00 0.00 174.62 175.49 1zre h LEU 29 N 8.61 0.33 -8.07 4.79 4.07 -0.87 -3.47 115.31 120.71 1zre h LEU 29 Ca -0.29 -0.40 -0.34 0.00 0.08 0.00 0.00 57.88 56.93 1zre h LEU 29 Cb 1.14 -0.11 -0.26 0.00 1.08 0.00 0.00 40.66 42.51 1zre h LEU 29 CO 0.74 1.32 -0.76 -0.63 -1.08 0.00 0.00 178.44 178.03 1zre s ILE 30 N -2.65 0.61 -0.15 1.22 1.01 -1.12 -4.95 121.20 115.17 1zre s ILE 30 Ca -0.05 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 59.98 1zre s ILE 30 Cb 0.07 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.98 1zre s ILE 30 CO 0.86 -0.04 -0.17 -1.00 0.00 0.00 0.00 174.94 174.59 1zre s HIS 31 N -0.62 2.75 0.37 3.97 3.76 -1.26 -2.10 115.29 122.16 1zre s HIS 31 Ca -0.01 -1.16 -0.26 0.00 -0.15 0.00 0.00 55.06 53.48 1zre s HIS 31 Cb -0.06 -1.87 -0.12 0.00 1.11 0.00 0.00 32.58 31.64 1zre s HIS 31 CO 0.00 -0.53 1.11 0.94 -0.85 0.00 0.00 174.74 175.41 1zre n GLN 32 N 4.11 1.62 -0.36 1.40 7.27 -1.17 -2.22 117.38 128.03 1zre n GLN 32 Ca -0.19 0.57 0.00 0.00 0.07 0.00 0.00 57.00 57.45 1zre n GLN 32 Cb 0.52 -2.11 0.00 0.00 2.41 0.00 0.00 30.24 31.05 1zre n GLN 32 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1zre n GLY 33 N 1.04 1.54 3.87 1.69 0.00 -0.08 -4.87 105.19 108.37 1zre n GLY 33 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.27 2.22 0.10 1.61 2.02 -0.94 -4.65 118.70 118.78 1zre s GLU 34 Ca 0.00 0.30 -0.30 0.00 0.02 0.00 0.00 54.97 54.99 1zre s GLU 34 Cb 0.00 -1.96 -0.06 0.00 0.10 0.00 0.00 34.13 32.21 1zre s GLU 34 CO 0.00 -1.46 1.00 0.15 0.02 0.00 0.00 175.26 174.98 1zre s LYS 35 N -5.43 4.64 -0.19 1.61 -0.14 -1.26 -0.64 119.74 118.33 1zre s LYS 35 Ca 0.61 1.51 -0.13 0.00 -1.36 0.00 0.00 55.97 56.59 1zre s LYS 35 Cb -0.12 -3.37 -0.05 0.00 -1.68 0.00 0.00 37.83 32.61 1zre s LYS 35 CO 0.51 0.11 0.27 0.00 -0.76 0.00 0.00 175.35 175.48 1zre s ALA 36 N 0.22 3.60 0.00 5.17 0.00 -0.28 -4.81 121.76 125.66 1zre s ALA 36 Ca 0.49 -0.57 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1zre s ALA 36 Cb -0.24 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1zre s ALA 36 CO 0.30 -0.02 0.00 0.39 0.00 0.00 0.00 175.76 176.43 1zre n GLU 37 N 3.85 0.00 -4.75 0.00 1.02 -1.26 -4.74 120.64 114.76 1zre n GLU 37 Ca -0.12 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.78 1zre n GLU 37 Cb 0.52 -0.28 -0.15 0.00 -0.02 0.00 0.00 31.44 31.50 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 1.28 -0.10 2.62 2.01 -1.26 -0.54 115.64 119.64 1zre s THR 38 Ca 0.00 -0.67 -0.04 0.00 0.31 0.00 0.00 61.69 61.30 1zre s THR 38 Cb 0.00 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 1zre s THR 38 CO 0.00 0.37 0.04 -0.22 -0.69 0.00 0.00 174.62 174.12 1zre s LEU 39 N -0.20 3.79 0.33 4.42 0.20 0.04 -4.75 118.68 122.51 1zre s LEU 39 Ca 0.02 0.22 0.09 0.00 0.69 0.00 0.00 54.13 55.15 1zre s LEU 39 Cb -0.08 -1.89 -0.05 0.00 -0.43 0.00 0.00 46.19 43.74 1zre s LEU 39 CO 0.00 0.37 0.00 -0.31 -0.29 0.00 0.00 176.35 176.12 1zre s TYR 40 N -0.81 2.56 -0.24 5.38 1.51 0.93 -2.08 117.35 124.60 1zre s TYR 40 Ca 0.13 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.76 1zre s TYR 40 Cb -0.12 -1.42 0.12 0.00 -0.11 0.00 0.00 41.96 40.44 1zre s TYR 40 CO 0.03 0.51 0.33 -0.47 -1.11 0.00 0.00 175.55 174.83 1zre s TYR 41 N -2.49 -0.65 -0.38 2.71 6.14 -1.06 -1.02 117.35 120.60 1zre s TYR 41 Ca 0.34 0.53 -0.28 0.00 0.64 0.00 0.00 57.07 58.31 1zre s TYR 41 Cb -0.01 -0.15 -0.03 0.00 0.42 0.00 0.00 41.96 42.19 1zre s TYR 41 CO 0.19 -0.72 1.97 0.42 0.64 0.00 0.00 175.55 178.05 1zre s ILE 42 N 2.47 3.31 -0.02 3.14 1.01 -0.90 -1.02 121.20 129.19 1zre s ILE 42 Ca 0.11 0.28 -0.20 0.00 0.00 0.00 0.00 60.65 60.83 1zre s ILE 42 Cb -0.15 -3.50 -0.28 0.00 0.01 0.00 0.00 42.46 38.53 1zre s ILE 42 CO -0.17 -0.38 1.00 0.58 0.00 0.00 0.00 174.94 175.96 1zre h VAL 43 N 7.00 1.46 -2.96 2.92 2.07 -0.26 0.27 116.25 126.75 1zre h VAL 43 Ca -0.32 -2.34 -0.14 0.00 0.82 0.00 0.00 66.70 64.72 1zre h VAL 43 Cb 1.19 2.91 -0.24 0.00 -1.52 0.00 0.00 31.29 33.63 1zre h VAL 43 CO 1.07 0.67 -0.32 -0.75 0.02 0.00 0.00 177.57 178.26 1zre s LYS 44 N -2.80 0.43 0.00 1.57 2.20 -0.77 -4.64 119.74 115.73 1zre s LYS 44 Ca -0.13 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 1zre s LYS 44 Cb 0.02 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 1zre s LYS 44 CO 0.84 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 176.17 1zre n GLY 45 N 2.61 -1.12 3.49 5.54 0.00 -1.25 -0.09 105.19 114.36 1zre n GLY 45 Ca -0.14 -2.12 -0.15 0.00 0.00 0.00 0.00 46.02 43.61 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 -4.00 -0.59 0.36 1.61 1.04 -1.26 -2.50 113.70 108.35 1zre s SER 46 Ca 0.00 0.98 0.09 0.00 0.48 0.00 0.00 55.95 57.49 1zre s SER 46 Cb 0.00 0.96 -0.07 0.00 0.10 0.00 0.00 66.02 67.02 1zre s SER 46 CO 0.00 -0.34 -0.07 0.68 0.98 0.00 0.00 173.24 174.49 1zre s VAL 47 N -0.24 2.16 -0.09 5.02 -7.23 -0.18 -0.81 120.40 119.02 1zre s VAL 47 Ca -0.04 -2.15 0.04 0.00 -1.81 0.00 0.00 61.98 58.01 1zre s VAL 47 Cb -0.03 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.18 1zre s VAL 47 CO 0.04 -0.15 -0.23 0.00 -0.31 0.00 0.00 175.10 174.44 1zre s ALA 48 N -2.65 2.08 -0.19 1.32 0.00 0.50 -0.74 121.76 122.07 1zre s ALA 48 Ca 0.33 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 51.24 1zre s ALA 48 Cb 0.04 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 1zre s ALA 48 CO 0.17 0.28 0.24 0.08 0.00 0.00 0.00 175.76 176.53 1zre s VAL 49 N 0.33 5.33 0.11 0.00 1.01 0.25 -1.26 120.40 126.17 1zre s VAL 49 Ca -0.17 0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.12 1zre s VAL 49 Cb -0.17 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 1zre s VAL 49 CO 0.08 0.37 0.22 -1.48 0.00 0.00 0.00 175.10 174.29 1zre s LEU 50 N 0.71 1.26 0.27 3.92 0.05 -0.15 0.49 118.68 125.23 1zre s LEU 50 Ca 0.13 -0.71 0.04 0.00 0.05 0.00 0.00 54.13 53.64 1zre s LEU 50 Cb -0.13 1.10 -0.06 0.00 -2.05 0.00 0.00 46.19 45.05 1zre s LEU 50 CO 0.03 -0.78 0.02 0.27 -0.55 0.00 0.00 176.35 175.34 1zre s ILE 51 N -3.89 1.10 0.11 1.48 -4.36 -0.33 -0.83 121.20 114.47 1zre s ILE 51 Ca 0.08 -2.03 -0.02 0.00 -0.26 0.00 0.00 60.65 58.43 1zre s ILE 51 Cb 0.04 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 41.18 1zre s ILE 51 CO -0.08 -0.18 0.05 -0.54 0.24 0.00 0.00 174.94 174.43 1zre s LYS 52 N -3.88 0.84 0.00 0.37 1.02 -1.26 -0.21 119.74 116.63 1zre s LYS 52 Ca 0.32 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.98 1zre s LYS 52 Cb 0.07 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.62 1zre s LYS 52 CO 0.12 -0.23 0.00 -0.40 -0.92 0.00 0.00 175.35 173.92 1zre n ASP 53 N -0.04 0.00 0.00 2.83 5.68 -0.31 -4.90 116.55 119.81 1zre n ASP 53 Ca -0.09 -0.44 0.10 0.00 -0.50 0.00 0.00 54.79 53.86 1zre n ASP 53 Cb 0.63 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.19 1zre n ASP 53 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1zre n GLU 54 N -0.44 0.70 -0.16 0.11 0.00 -1.26 -2.65 120.64 116.95 1zre n GLU 54 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.24 1zre n GLU 54 Cb 0.00 -1.44 0.11 0.00 0.00 0.00 0.00 31.44 30.11 1zre n GLU 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1zre n GLU 55 N -0.94 1.04 -0.57 3.44 1.02 -1.26 -4.99 120.64 118.38 1zre n GLU 55 Ca 0.15 -2.29 0.00 0.00 -0.02 0.00 0.00 57.16 55.00 1zre n GLU 55 Cb 0.07 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.16 1.07 3.69 0.62 0.00 -1.08 -4.96 105.19 103.36 1zre n GLY 56 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1zre n GLY 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1zre s LYS 57 N -0.23 4.19 0.03 1.61 2.20 -1.26 -4.72 119.74 121.55 1zre s LYS 57 Ca 0.00 2.36 0.02 0.00 -0.36 0.00 0.00 55.97 57.99 1zre s LYS 57 Cb 0.00 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.64 1zre s LYS 57 CO 0.00 -0.76 0.00 -1.83 -0.36 0.00 0.00 175.35 172.40 1zre s GLU 58 N 2.80 2.73 -0.00 4.03 -1.05 -1.26 -1.16 118.70 124.79 1zre s GLU 58 Ca 0.75 -0.67 0.07 0.00 -0.15 0.00 0.00 54.97 54.97 1zre s GLU 58 Cb -0.40 -2.64 -0.02 0.00 -0.44 0.00 0.00 34.13 30.63 1zre s GLU 58 CO 0.33 0.60 -0.23 1.41 0.95 0.00 0.00 175.26 178.32 1zre s MET 59 N -1.78 2.12 -0.28 -4.83 -2.45 0.71 -4.68 119.30 108.10 1zre s MET 59 Ca 0.22 -0.93 -0.19 0.00 -1.25 0.00 0.00 55.69 53.54 1zre s MET 59 Cb -0.12 -2.11 -0.02 0.00 1.25 0.00 0.00 34.83 33.83 1zre s MET 59 CO 0.13 0.56 0.54 0.42 1.05 0.00 0.00 175.02 177.72 1zre s ILE 60 N -0.71 5.03 0.03 10.11 -1.09 0.11 -1.19 121.20 133.49 1zre s ILE 60 Ca 0.11 0.80 0.05 0.00 -2.23 0.00 0.00 60.65 59.38 1zre s ILE 60 Cb -0.10 -3.89 -0.24 0.00 -1.58 0.00 0.00 42.46 36.65 1zre s ILE 60 CO 0.01 -0.01 0.96 -0.07 -1.23 0.00 0.00 174.94 174.59 1zre h LEU 61 N 8.92 0.14 -7.05 2.97 3.38 -0.28 -3.43 115.31 119.96 1zre h LEU 61 Ca -0.28 -0.20 0.33 0.00 0.09 0.00 0.00 57.88 57.82 1zre h LEU 61 Cb 1.13 -0.05 -0.17 0.00 0.09 0.00 0.00 40.66 41.67 1zre h LEU 61 CO 0.74 1.16 0.91 -0.55 0.09 0.00 0.00 178.44 180.80 1zre s SER 62 N -6.64 -0.05 -0.02 -0.43 0.15 -0.97 -4.97 113.70 100.77 1zre s SER 62 Ca -0.04 -0.03 0.04 0.00 0.70 0.00 0.00 55.95 56.61 1zre s SER 62 Cb 0.08 0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.44 1zre s SER 62 CO 0.83 -0.13 -0.11 -0.31 1.20 0.00 0.00 173.24 174.72 1zre s TYR 63 N -2.20 2.77 -0.00 3.44 2.02 -1.26 0.87 117.35 122.99 1zre s TYR 63 Ca 0.13 -0.11 0.06 0.00 -0.37 0.00 0.00 57.07 56.78 1zre s TYR 63 Cb 0.03 -1.61 -0.02 0.00 -0.40 0.00 0.00 41.96 39.96 1zre s TYR 63 CO -0.04 0.28 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.52 1zre s LEU 64 N -1.07 2.07 0.00 -1.29 1.43 0.08 -4.94 118.68 114.96 1zre s LEU 64 Ca 0.14 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1zre s LEU 64 Cb -0.11 -0.95 -0.00 0.00 0.03 0.00 0.00 46.19 45.17 1zre s LEU 64 CO 0.04 0.21 0.00 0.59 0.23 0.00 0.00 176.35 177.41 1zre n ASN 65 N 2.43 1.80 -4.58 2.29 4.13 -1.26 -1.01 115.26 119.05 1zre n ASN 65 Ca -0.15 -1.10 -0.48 0.00 1.68 0.00 0.00 54.58 54.52 1zre n ASN 65 Cb 0.54 0.02 -0.05 0.00 -1.54 0.00 0.00 39.78 38.75 1zre n ASN 65 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1zre n GLN 66 N -0.05 1.74 0.00 3.52 7.27 -1.04 -1.54 117.38 127.28 1zre n GLN 66 Ca -0.01 0.56 0.00 0.00 0.07 0.00 0.00 57.00 57.62 1zre n GLN 66 Cb 0.03 -2.72 0.00 0.00 2.41 0.00 0.00 30.24 29.96 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 5.46 2.27 3.87 1.69 0.00 0.96 -5.01 105.19 114.43 1zre n GLY 67 Ca 0.31 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.87 6.57 0.43 1.61 1.01 -0.59 -4.86 116.67 118.97 1zre s ASP 68 Ca 0.00 1.14 -0.06 0.00 0.71 0.00 0.00 52.55 54.34 1zre s ASP 68 Cb 0.00 -2.32 -0.04 0.00 1.01 0.00 0.00 42.92 41.57 1zre s ASP 68 CO 0.00 -0.34 0.73 -0.36 0.21 0.00 0.00 175.17 175.41 1zre s PHE 69 N -2.26 3.53 0.00 4.23 0.40 -1.26 -2.11 117.98 120.50 1zre s PHE 69 Ca 0.51 0.79 -0.01 0.00 -0.60 0.00 0.00 56.93 57.63 1zre s PHE 69 Cb -0.10 -2.26 -0.00 0.00 0.51 0.00 0.00 43.02 41.16 1zre s PHE 69 CO 0.28 -0.15 0.01 0.42 0.70 0.00 0.00 175.22 176.48 1zre s ILE 70 N -2.55 0.03 -0.80 0.64 1.01 -0.19 -4.88 121.20 114.47 1zre s ILE 70 Ca 0.47 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.79 1zre s ILE 70 Cb -0.10 -0.12 0.00 0.00 0.01 0.00 0.00 42.46 42.26 1zre s ILE 70 CO 0.40 -0.16 0.53 0.61 0.00 0.00 0.00 174.94 176.32 1zre n GLY 71 N 2.59 0.08 0.05 6.18 0.00 -1.26 -0.05 105.19 112.78 1zre n GLY 71 Ca -0.16 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.77 1zre n GLY 71 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1zre n GLU 72 N -2.83 0.29 0.29 1.61 4.71 -1.26 -4.31 120.64 119.15 1zre n GLU 72 Ca -0.02 0.04 0.17 0.00 -0.01 0.00 0.00 57.16 57.34 1zre n GLU 72 Cb 0.55 -1.64 0.90 0.00 -1.01 0.00 0.00 31.44 30.23 1zre n GLU 72 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1zre h LEU 73 N 0.00 0.00 -0.85 -4.62 3.38 -1.97 -2.25 115.31 109.00 1zre h LEU 73 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1zre h LEU 73 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1zre h LEU 73 CO 0.00 0.05 -0.13 0.61 0.09 0.00 0.00 178.44 179.05 1zre n GLY 74 N -0.70 -0.17 0.19 0.83 0.00 -1.26 -4.32 105.19 99.76 1zre n GLY 74 Ca -0.02 -0.46 0.04 0.00 0.00 0.00 0.00 46.02 45.58 1zre n GLY 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1zre h LEU 75 N 2.08 0.00 0.00 0.99 5.85 -1.67 -3.33 115.31 119.23 1zre h LEU 75 Ca 0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1zre h LEU 75 Cb 0.56 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1zre h LEU 75 CO 0.00 0.40 -1.38 0.49 -0.34 0.00 0.00 178.44 177.61 1zre n PHE 76 N -3.79 0.67 -4.98 1.25 3.01 -1.26 -4.87 117.46 107.50 1zre n PHE 76 Ca -0.01 0.20 -0.27 0.00 1.01 0.00 0.00 57.45 58.38 1zre n PHE 76 Cb 0.47 -0.85 -0.16 0.00 -0.01 0.00 0.00 39.48 38.93 1zre n PHE 76 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1zre s GLU 77 N -3.33 1.63 0.58 -1.08 0.41 -1.25 -5.14 118.70 110.53 1zre s GLU 77 Ca -0.03 -0.73 -0.09 0.00 -0.41 0.00 0.00 54.97 53.71 1zre s GLU 77 Cb 0.11 -1.58 -0.04 0.00 -1.78 0.00 0.00 34.13 30.84 1zre s GLU 77 CO 0.83 0.43 0.97 -1.21 -0.49 0.00 0.00 175.26 175.79 1zre s GLU 78 N -0.49 3.58 -1.06 1.61 0.41 -1.26 -4.03 118.70 117.45 1zre s GLU 78 Ca 0.08 0.60 0.00 0.00 -0.41 0.00 0.00 54.97 55.24 1zre s GLU 78 Cb -0.08 -2.16 0.00 0.00 -1.78 0.00 0.00 34.13 30.11 1zre s GLU 78 CO -0.01 -0.48 0.00 0.41 -0.49 0.00 0.00 175.26 174.69 1zre n GLY 79 N -2.62 -0.11 3.87 -1.39 0.00 -1.26 -5.01 105.19 98.66 1zre n GLY 79 Ca 0.05 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.58 3.83 0.24 1.61 -1.52 -1.26 -5.01 119.66 112.97 1zre s GLN 80 Ca 0.00 0.29 0.08 0.00 -1.95 0.00 0.00 55.36 53.78 1zre s GLN 80 Cb 0.00 -2.78 -0.04 0.00 -0.22 0.00 0.00 33.01 29.97 1zre s GLN 80 CO 0.00 0.40 0.03 -1.21 -0.25 0.00 0.00 175.29 174.26 1zre s GLU 81 N -2.48 2.44 0.15 2.91 2.02 -1.26 -1.13 118.70 121.35 1zre s GLU 81 Ca 0.43 -1.26 -0.31 0.00 0.02 0.00 0.00 54.97 53.84 1zre s GLU 81 Cb -0.13 -2.29 -0.11 0.00 0.10 0.00 0.00 34.13 31.71 1zre s GLU 81 CO 0.21 0.40 1.74 1.03 0.02 0.00 0.00 175.26 178.65 1zre s ARG 82 N -3.50 4.15 0.24 1.61 1.81 0.18 -4.78 118.95 118.67 1zre s ARG 82 Ca 0.30 2.54 0.26 0.00 -1.72 0.00 0.00 55.73 57.11 1zre s ARG 82 Cb -0.07 -3.36 0.85 0.00 -0.45 0.00 0.00 34.95 31.91 1zre s ARG 82 CO 0.20 -0.77 1.76 0.66 -0.68 0.00 0.00 175.30 176.47 1zre h SER 83 N 7.72 0.00 -5.27 0.23 4.64 -1.92 -0.19 113.55 118.77 1zre h SER 83 Ca -0.44 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 60.98 1zre h SER 83 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1zre h SER 83 CO 0.94 0.00 0.47 0.00 -0.87 0.00 0.00 176.83 177.38 1zre s ALA 84 N -3.18 -1.30 0.02 5.18 0.00 -1.26 -4.94 121.76 116.28 1zre s ALA 84 Ca 0.09 -0.46 -0.07 0.00 0.00 0.00 0.00 51.96 51.52 1zre s ALA 84 Cb 0.11 0.73 -0.05 0.00 0.00 0.00 0.00 23.12 23.91 1zre s ALA 84 CO 0.55 -1.04 0.30 -1.58 0.00 0.00 0.00 175.76 173.99 1zre s TRP 85 N -2.29 3.58 -0.19 0.00 0.52 -0.01 -3.04 118.94 117.51 1zre s TRP 85 Ca 0.19 0.63 0.01 0.00 0.02 0.00 0.00 56.10 56.95 1zre s TRP 85 Cb -0.03 -2.03 0.03 0.00 -1.15 0.00 0.00 33.47 30.29 1zre s TRP 85 CO 0.07 0.59 -0.14 0.08 0.02 0.00 0.00 176.95 177.58 1zre s VAL 86 N -1.31 1.84 0.10 4.03 1.01 -0.89 -0.98 120.40 124.20 1zre s VAL 86 Ca 0.28 -1.02 0.07 0.00 0.00 0.00 0.00 61.98 61.31 1zre s VAL 86 Cb -0.13 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1zre s VAL 86 CO 0.16 0.30 -0.09 -0.60 0.00 0.00 0.00 175.10 174.87 1zre s ARG 87 N 1.33 2.17 -0.28 2.72 3.52 -0.39 -0.12 118.95 127.90 1zre s ARG 87 Ca 0.01 -1.01 -0.23 0.00 -0.13 0.00 0.00 55.73 54.37 1zre s ARG 87 Cb -0.15 -2.33 -0.00 0.00 -1.56 0.00 0.00 34.95 30.91 1zre s ARG 87 CO -0.10 0.51 0.76 0.00 -0.81 0.00 0.00 175.30 175.67 1zre s ALA 88 N -1.22 3.57 0.08 6.12 0.00 -0.24 -0.37 121.76 129.70 1zre s ALA 88 Ca 0.22 -0.36 -0.15 0.00 0.00 0.00 0.00 51.96 51.66 1zre s ALA 88 Cb -0.11 -3.24 -0.14 0.00 0.00 0.00 0.00 23.12 19.63 1zre s ALA 88 CO 0.14 -1.06 1.32 0.87 0.00 0.00 0.00 175.76 177.03 1zre h LYS 89 N 7.98 0.68 0.00 0.00 1.57 -1.27 0.17 116.57 125.69 1zre h LYS 89 Ca -0.24 -0.48 0.00 0.00 -1.87 0.00 0.00 60.65 58.06 1zre h LYS 89 Cb 1.10 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1zre h LYS 89 CO 0.86 1.10 0.00 0.25 -0.57 0.00 0.00 179.45 181.09 1zre n THR 90 N -4.15 0.00 -3.28 -0.16 -2.24 -1.08 -4.53 114.28 98.85 1zre n THR 90 Ca -0.06 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.33 1zre n THR 90 Cb 0.60 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 1zre n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zre s ALA 91 N -2.00 3.52 0.04 6.98 0.00 -1.26 -2.57 121.76 126.46 1zre s ALA 91 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 51.96 51.98 1zre s ALA 91 Cb 0.00 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 1zre s ALA 91 CO 0.00 0.18 -0.23 0.00 0.00 0.00 0.00 175.76 175.71 1zre s GLU 93 N -1.13 1.91 -0.16 0.00 2.12 0.87 -0.79 118.70 121.51 1zre s GLU 93 Ca 0.09 -1.79 -0.01 0.00 0.36 0.00 0.00 54.97 53.62 1zre s GLU 93 Cb -0.09 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 1zre s GLU 93 CO 0.02 -1.01 -0.11 0.08 -0.54 0.00 0.00 175.26 173.70 1zre s VAL 94 N 1.09 3.02 0.58 3.70 1.01 0.06 0.53 120.40 130.38 1zre s VAL 94 Ca 0.08 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 1zre s VAL 94 Cb -0.22 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1zre s VAL 94 CO -0.05 0.49 1.08 0.00 0.00 0.00 0.00 175.10 176.62 1zre s ALA 95 N 0.82 2.70 -0.08 5.51 0.00 -0.19 -0.40 121.76 130.12 1zre s ALA 95 Ca -0.04 0.54 -0.03 0.00 0.00 0.00 0.00 51.96 52.43 1zre s ALA 95 Cb -0.15 -3.28 0.05 0.00 0.00 0.00 0.00 23.12 19.74 1zre s ALA 95 CO 0.01 -0.80 0.16 -1.21 0.00 0.00 0.00 175.76 173.92 1zre s GLU 96 N -3.78 0.04 0.05 0.00 2.02 -1.26 -2.56 118.70 113.21 1zre s GLU 96 Ca 0.67 0.54 0.03 0.00 0.02 0.00 0.00 54.97 56.23 1zre s GLU 96 Cb -0.18 -0.26 -0.02 0.00 0.10 0.00 0.00 34.13 33.76 1zre s GLU 96 CO 0.33 -0.29 -0.10 -1.50 0.02 0.00 0.00 175.26 173.72 1zre s ILE 97 N 2.15 0.74 0.53 -1.63 2.07 -0.89 0.51 121.20 124.68 1zre s ILE 97 Ca 0.02 -1.12 -0.15 0.00 -1.41 0.00 0.00 60.65 57.99 1zre s ILE 97 Cb -0.12 -0.76 -0.07 0.00 0.13 0.00 0.00 42.46 41.64 1zre s ILE 97 CO -0.06 -0.30 0.98 -0.94 -1.91 0.00 0.00 174.94 172.71 1zre s SER 98 N -1.56 6.54 0.13 4.50 1.04 -1.26 -0.78 113.70 122.31 1zre s SER 98 Ca -0.07 1.51 -0.21 0.00 0.48 0.00 0.00 55.95 57.66 1zre s SER 98 Cb -0.10 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 1zre s SER 98 CO 0.01 -0.63 1.69 1.88 0.98 0.00 0.00 173.24 177.17 1zre h TYR 99 N 0.70 -0.22 -0.55 5.02 0.05 -1.16 0.39 116.97 121.21 1zre h TYR 99 Ca -0.46 0.02 0.11 0.00 0.05 0.00 0.00 58.73 58.45 1zre h TYR 99 Cb 1.19 0.12 -0.10 0.00 1.01 0.00 0.00 36.73 38.95 1zre h TYR 99 CO 0.64 -0.14 -0.14 0.87 -1.05 0.00 0.00 178.16 178.33 1zre h LYS 100 N -0.08 -0.01 -0.38 4.88 1.79 -1.94 0.43 116.57 121.26 1zre h LYS 100 Ca 0.09 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.41 1zre h LYS 100 Cb 0.22 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 1zre h LYS 100 CO -0.22 -0.01 -0.38 -0.22 -1.08 0.00 0.00 179.45 177.55 1zre h LYS 101 N -0.01 0.92 -0.57 3.15 1.63 -1.81 -2.93 116.57 116.94 1zre h LYS 101 Ca 0.26 -0.48 -0.02 0.00 -0.85 0.00 0.00 60.65 59.56 1zre h LYS 101 Cb 0.41 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.03 1zre h LYS 101 CO -0.57 1.13 0.26 0.35 -3.45 0.00 0.00 179.45 177.18 1zre h PHE 102 N 0.75 0.84 -0.31 1.91 3.57 0.89 -0.83 116.94 123.76 1zre h PHE 102 Ca 0.06 -0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.60 1zre h PHE 102 Cb 0.97 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1zre h PHE 102 CO 0.06 0.66 0.22 0.00 -2.23 0.00 0.00 178.31 177.02 1zre h ARG 103 N 0.78 0.05 -0.01 1.11 3.08 -0.14 -1.27 114.38 117.97 1zre h ARG 103 Ca 0.20 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1zre h ARG 103 Cb 0.14 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1zre h ARG 103 CO -0.02 0.03 -0.03 1.96 -1.07 0.00 0.00 179.97 180.84 1zre h GLN 104 N 0.05 0.05 -0.12 0.04 4.20 -1.02 -3.00 115.11 115.31 1zre h GLN 104 Ca 0.15 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.86 1zre h GLN 104 Cb 0.52 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1zre h GLN 104 CO -0.01 0.62 0.22 -0.07 -0.67 0.00 0.00 178.83 178.92 1zre h LEU 105 N -0.52 0.00 -0.30 1.46 3.38 -0.09 0.67 115.31 119.91 1zre h LEU 105 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1zre h LEU 105 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1zre h LEU 105 CO 0.01 0.00 -0.22 0.40 0.09 0.00 0.00 178.44 178.72 1zre h ILE 106 N 0.00 1.30 0.34 1.22 2.04 -1.20 -2.00 117.51 119.20 1zre h ILE 106 Ca 0.06 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 1zre h ILE 106 Cb 0.49 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1zre h ILE 106 CO -0.00 0.43 -0.29 1.56 0.00 0.00 0.00 178.15 179.86 1zre h GLN 107 N 0.42 -0.59 -0.63 2.37 4.20 -0.82 0.14 115.11 120.20 1zre h GLN 107 Ca 0.06 0.04 0.13 0.00 0.06 0.00 0.00 58.65 58.94 1zre h GLN 107 Cb 0.76 0.13 -0.11 0.00 0.30 0.00 0.00 27.48 28.57 1zre h GLN 107 CO 0.06 -0.39 -0.03 -0.39 -0.67 0.00 0.00 178.83 177.41 1zre h VAL 108 N -0.61 0.45 -2.56 -0.54 -1.51 -1.59 -3.37 116.25 106.52 1zre h VAL 108 Ca -0.04 -0.03 -0.45 0.00 -1.23 0.00 0.00 66.70 64.95 1zre h VAL 108 Cb 0.52 0.35 -0.37 0.00 -2.13 0.00 0.00 31.29 29.65 1zre h VAL 108 CO -0.01 0.02 -0.72 0.21 -1.23 0.00 0.00 177.57 175.84 1zre s ASN 109 N -5.23 2.75 0.35 4.19 3.04 -0.75 -5.01 114.94 114.27 1zre s ASN 109 Ca -0.14 -1.03 0.26 0.00 0.04 0.00 0.00 52.86 51.99 1zre s ASN 109 Cb 0.19 -0.01 1.16 0.00 -1.54 0.00 0.00 41.25 41.05 1zre s ASN 109 CO 0.74 -0.41 1.79 1.55 -3.04 0.00 0.00 177.10 177.73 1zre h PRO 110 N 8.35 0.00 -0.35 0.43 0.13 -1.15 -3.08 132.00 136.33 1zre h PRO 110 Ca -0.17 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.06 1zre h PRO 110 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1zre h PRO 110 CO 0.39 0.00 0.26 0.22 -0.23 0.00 0.00 178.00 178.64 1zre h ASP 111 N 0.00 0.00 0.61 1.44 -0.00 -1.93 0.13 116.42 116.67 1zre h ASP 111 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.03 56.94 1zre h ASP 111 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.64 1zre h ASP 111 CO 0.00 0.00 -0.42 -0.29 -0.00 0.00 0.00 179.24 178.53 1zre h ILE 112 N 0.00 1.12 -0.10 2.25 6.09 -1.89 -0.86 117.51 124.12 1zre h ILE 112 Ca 0.17 -1.54 -0.23 0.00 -1.37 0.00 0.00 64.86 61.88 1zre h ILE 112 Cb 0.69 1.88 0.01 0.00 0.47 0.00 0.00 36.82 39.87 1zre h ILE 112 CO -0.00 0.41 -0.85 0.25 -3.07 0.00 0.00 178.15 174.89 1zre h LEU 113 N 0.00 0.89 -0.65 2.19 6.46 -1.00 -2.88 115.31 120.33 1zre h LEU 113 Ca -0.00 -0.62 0.02 0.00 -0.12 0.00 0.00 57.88 57.16 1zre h LEU 113 Cb 0.84 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.47 1zre h LEU 113 CO 0.05 1.42 0.41 -0.03 -0.62 0.00 0.00 178.44 179.67 1zre h MET 114 N 0.47 0.79 -0.60 1.25 4.05 -0.87 0.85 114.93 120.88 1zre h MET 114 Ca -0.07 -0.05 0.04 0.00 -0.28 0.00 0.00 59.70 59.34 1zre h MET 114 Cb 1.48 -0.18 -0.05 0.00 -0.80 0.00 0.00 31.60 32.06 1zre h MET 114 CO 0.17 0.52 0.33 0.00 0.23 0.00 0.00 176.91 178.17 1zre h ARG 115 N 0.82 0.62 0.18 0.39 2.47 -1.14 -1.01 114.38 116.70 1zre h ARG 115 Ca 0.25 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.93 1zre h ARG 115 Cb -0.02 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.16 1zre h ARG 115 CO -0.09 0.41 -0.08 1.25 0.56 0.00 0.00 179.97 182.02 1zre h LEU 116 N 0.64 -0.20 -1.48 3.04 5.85 -1.18 -2.75 115.31 119.23 1zre h LEU 116 Ca 0.26 -0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.95 1zre h LEU 116 Cb 0.12 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1zre h LEU 116 CO -0.15 0.01 0.48 0.28 -0.34 0.00 0.00 178.44 178.72 1zre h SER 117 N -0.41 0.52 0.05 1.25 0.02 -0.54 0.76 113.55 115.19 1zre h SER 117 Ca -0.02 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1zre h SER 117 Cb 0.32 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1zre h SER 117 CO 0.04 0.30 -0.02 0.00 -1.14 0.00 0.00 176.83 176.01 1zre h ALA 118 N 1.64 -0.07 -0.37 3.77 0.00 -1.10 0.62 119.26 123.76 1zre h ALA 118 Ca 0.34 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1zre h ALA 118 Cb 0.55 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1zre h ALA 118 CO -0.12 -0.46 0.24 1.96 0.00 0.00 0.00 179.25 180.88 1zre h GLN 119 N -0.23 0.47 -0.06 0.00 4.20 -0.86 -1.38 115.11 117.24 1zre h GLN 119 Ca -0.01 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1zre h GLN 119 Cb 0.20 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 1zre h GLN 119 CO 0.01 0.31 -0.03 0.52 -0.67 0.00 0.00 178.83 178.97 1zre h MET 120 N 0.48 0.13 -0.52 1.46 2.86 -0.37 -2.14 114.93 116.82 1zre h MET 120 Ca 0.14 -0.06 0.10 0.00 -2.06 0.00 0.00 59.70 57.82 1zre h MET 120 Cb -0.03 -0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.52 1zre h MET 120 CO -0.03 0.51 -0.18 0.00 1.06 0.00 0.00 176.91 178.26 1zre h ALA 121 N 0.62 0.24 -0.66 6.32 0.00 -0.30 -0.06 119.26 125.42 1zre h ALA 121 Ca 0.01 0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1zre h ALA 121 Cb 0.47 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 1zre h ALA 121 CO 0.01 -0.50 0.35 -0.09 0.00 0.00 0.00 179.25 179.01 1zre h ARG 122 N -0.06 0.61 -0.06 0.00 9.65 -1.16 -0.71 114.38 122.64 1zre h ARG 122 Ca 0.25 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 59.02 1zre h ARG 122 Cb 0.44 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 1zre h ARG 122 CO -0.57 0.40 -0.30 0.00 2.80 0.00 0.00 179.97 182.30 1zre h ARG 123 N 0.63 0.11 -0.43 0.20 3.08 -0.42 -0.90 114.38 116.66 1zre h ARG 123 Ca 0.31 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 60.17 1zre h ARG 123 Cb 0.24 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1zre h ARG 123 CO -0.21 0.41 -0.29 1.25 -1.07 0.00 0.00 179.97 180.06 1zre h LEU 124 N 0.10 1.00 0.54 3.04 5.85 0.29 0.91 115.31 127.03 1zre h LEU 124 Ca 0.01 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 1zre h LEU 124 Cb 0.59 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1zre h LEU 124 CO 0.04 1.21 -0.26 1.56 -0.34 0.00 0.00 178.44 180.66 1zre h GLN 125 N 0.79 -0.70 -0.31 1.25 4.20 -0.62 -0.98 115.11 118.74 1zre h GLN 125 Ca 0.08 0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.88 1zre h GLN 125 Cb 0.88 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.78 1zre h GLN 125 CO 0.08 -0.46 0.09 0.28 -0.67 0.00 0.00 178.83 178.15 1zre h VAL 126 N -0.72 0.89 -0.40 -0.54 2.07 -1.12 -0.68 116.25 115.74 1zre h VAL 126 Ca -0.07 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 1zre h VAL 126 Cb 0.56 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1zre h VAL 126 CO 0.12 0.04 0.04 0.74 0.02 0.00 0.00 177.57 178.53 1zre h THR 127 N 0.22 1.20 -0.36 2.57 2.02 -0.76 0.25 112.91 118.05 1zre h THR 127 Ca 0.14 -0.78 -0.07 0.00 0.77 0.00 0.00 66.41 66.47 1zre h THR 127 Cb 0.13 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1zre h THR 127 CO -0.16 0.28 -0.04 0.28 0.37 0.00 0.00 175.52 176.25 1zre h SER 128 N 0.60 0.66 0.02 4.18 0.02 -0.68 -0.46 113.55 117.89 1zre h SER 128 Ca 0.13 -0.33 -0.04 0.00 -0.84 0.00 0.00 61.79 60.70 1zre h SER 128 Cb 0.31 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1zre h SER 128 CO 0.01 0.84 -0.11 -0.08 -1.14 0.00 0.00 176.83 176.35 1zre h GLU 129 N 0.47 0.20 -0.25 3.45 4.81 -0.56 0.11 114.58 122.81 1zre h GLU 129 Ca 0.10 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 1zre h GLU 129 Cb 0.52 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1zre h GLU 129 CO 0.03 0.32 -0.35 -0.22 -0.73 0.00 0.00 179.01 178.05 1zre h LYS 130 N 0.19 0.55 -0.45 1.92 3.64 0.15 -0.20 116.57 122.38 1zre h LYS 130 Ca 0.04 -0.26 -0.14 0.00 -1.27 0.00 0.00 60.65 59.02 1zre h LYS 130 Cb 0.32 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1zre h LYS 130 CO 0.02 0.83 -0.28 0.28 -2.27 0.00 0.00 179.45 178.03 1zre h VAL 131 N 0.47 1.27 -0.44 2.00 2.07 0.57 -1.59 116.25 120.59 1zre h VAL 131 Ca 0.05 -1.45 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 1zre h VAL 131 Cb 0.83 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1zre h VAL 131 CO 0.07 0.50 0.20 1.23 0.02 0.00 0.00 177.57 179.58 1zre h GLY 132 N 0.84 0.69 0.68 2.17 0.00 -0.58 -2.41 103.07 104.46 1zre h GLY 132 Ca 0.09 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.11 1zre h GLY 132 CO 0.08 0.33 0.12 3.43 0.00 0.00 0.00 176.54 180.50 1zre h ASN 133 N 0.57 0.12 0.36 0.19 -0.26 -0.85 0.17 115.58 115.87 1zre h ASN 133 Ca 0.15 0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 1zre h ASN 133 Cb 0.14 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.43 1zre h ASN 133 CO -0.02 0.10 0.00 -0.07 -1.06 0.00 0.00 177.43 176.39 1zre h LEU 134 N 0.26 0.00 0.00 1.61 3.38 -1.05 -1.59 115.31 117.92 1zre h LEU 134 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1zre h LEU 134 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1zre h LEU 134 CO -0.17 0.00 -0.78 0.00 0.09 0.00 0.00 178.44 177.58 1zre n ALA 135 N -1.88 3.01 -0.00 1.53 0.00 -0.52 -4.74 120.51 117.90 1zre n ALA 135 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1zre n ALA 135 Cb 0.14 -0.36 -0.00 0.00 0.00 0.00 0.00 19.45 19.23 1zre n ALA 135 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1zre n PHE 136 N -1.43 0.00 -4.18 0.00 3.72 0.48 -5.07 117.46 110.99 1zre n PHE 136 Ca 0.01 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.13 1zre n PHE 136 Cb 0.19 -0.01 -0.08 0.00 -0.94 0.00 0.00 39.48 38.64 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 -3.48 3.38 0.81 4.37 1.43 -0.61 -5.06 118.68 119.52 1zre s LEU 137 Ca -0.00 -0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 52.68 1zre s LEU 137 Cb 0.00 -2.06 0.12 0.00 0.03 0.00 0.00 46.19 44.29 1zre s LEU 137 CO 0.01 0.11 1.14 1.51 0.23 0.00 0.00 176.35 179.35 1zre s ASP 138 N -2.78 4.09 0.20 2.29 -4.77 -1.26 -4.78 116.67 109.67 1zre s ASP 138 Ca 0.27 0.28 -0.10 0.00 -3.30 0.00 0.00 52.55 49.70 1zre s ASP 138 Cb -0.10 -0.65 0.26 0.00 -1.09 0.00 0.00 42.92 41.34 1zre s ASP 138 CO 0.19 -2.08 1.75 0.58 0.70 0.00 0.00 175.17 176.30 1zre h VAL 139 N -1.01 0.79 -0.87 2.11 2.07 -1.97 0.34 116.25 117.71 1zre h VAL 139 Ca -0.43 -0.14 0.16 0.00 0.82 0.00 0.00 66.70 67.10 1zre h VAL 139 Cb 1.28 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.33 1zre h VAL 139 CO 0.50 0.07 0.57 0.74 0.02 0.00 0.00 177.57 179.47 1zre h THR 140 N 0.41 0.80 -0.11 2.57 2.02 -1.98 0.34 112.91 116.95 1zre h THR 140 Ca 0.29 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 67.22 1zre h THR 140 Cb 0.35 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1zre h THR 140 CO -0.29 0.11 -0.13 1.23 0.37 0.00 0.00 175.52 176.81 1zre h GLY 141 N 0.60 0.30 1.05 2.16 0.00 -1.31 -2.04 103.07 103.82 1zre h GLY 141 Ca 0.44 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1zre h GLY 141 CO -0.19 0.29 0.49 3.21 0.00 0.00 0.00 176.54 180.33 1zre h ARG 142 N -0.14 1.24 -0.25 4.80 3.08 -0.23 -1.23 114.38 121.65 1zre h ARG 142 Ca 0.01 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1zre h ARG 142 Cb 0.66 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1zre h ARG 142 CO 0.03 0.91 0.04 0.82 -1.07 0.00 0.00 179.97 180.70 1zre h ILE 143 N 1.25 1.23 -0.05 2.04 2.04 -0.41 0.83 117.51 124.45 1zre h ILE 143 Ca 0.31 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.42 1zre h ILE 143 Cb 0.03 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1zre h ILE 143 CO -0.05 0.25 -0.12 0.00 0.00 0.00 0.00 178.15 178.23 1zre h ALA 144 N 0.85 -0.10 -0.78 1.87 0.00 -0.94 0.11 119.26 120.27 1zre h ALA 144 Ca 0.08 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1zre h ALA 144 Cb 0.33 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1zre h ALA 144 CO 0.01 -0.60 0.49 0.37 0.00 0.00 0.00 179.25 179.51 1zre h GLN 145 N -0.18 0.90 -0.34 0.00 5.75 -1.13 -1.68 115.11 118.42 1zre h GLN 145 Ca 0.06 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.41 1zre h GLN 145 Cb 0.27 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 1zre h GLN 145 CO -0.16 0.60 -0.20 1.15 -2.65 0.00 0.00 178.83 177.57 1zre h THR 146 N 0.93 1.26 -0.32 2.39 2.02 -0.22 -0.53 112.91 118.45 1zre h THR 146 Ca 0.32 -1.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.25 1zre h THR 146 Cb 0.07 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1zre h THR 146 CO -0.14 0.41 0.19 -0.07 0.37 0.00 0.00 175.52 176.29 1zre h LEU 147 N 0.57 0.38 -0.17 2.58 3.38 0.05 0.27 115.31 122.38 1zre h LEU 147 Ca 0.09 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1zre h LEU 147 Cb 0.66 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1zre h LEU 147 CO 0.05 0.32 0.11 -0.07 0.09 0.00 0.00 178.44 178.93 1zre h LEU 148 N 0.41 0.20 -0.50 1.67 4.07 -1.19 -2.22 115.31 117.75 1zre h LEU 148 Ca 0.11 -0.04 0.05 0.00 0.08 0.00 0.00 57.88 58.08 1zre h LEU 148 Cb 0.01 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 41.65 1zre h LEU 148 CO -0.02 0.18 0.24 0.78 -1.08 0.00 0.00 178.44 178.54 1zre h ASN 149 N 0.21 0.34 0.05 -0.43 -0.26 -0.61 -0.90 115.58 113.97 1zre h ASN 149 Ca 0.06 0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.82 1zre h ASN 149 Cb 0.01 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 37.24 1zre h ASN 149 CO -0.01 0.23 -0.07 -0.07 -1.06 0.00 0.00 177.43 176.45 1zre h LEU 150 N 0.47 0.03 -0.46 1.61 3.38 -0.34 0.60 115.31 120.60 1zre h LEU 150 Ca 0.22 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1zre h LEU 150 Cb 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1zre h LEU 150 CO -0.17 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.47 1zre n ALA 151 N -2.52 1.56 1.02 1.53 0.00 -0.36 -1.65 120.51 120.09 1zre n ALA 151 Ca -0.02 0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.57 1zre n ALA 151 Cb 0.16 -1.30 0.04 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.92 0.23 -1.28 0.00 4.76 0.20 -4.89 118.16 115.24 1zre n LYS 152 Ca 0.02 -0.17 -0.33 0.00 -2.87 0.00 0.00 58.31 54.97 1zre n LYS 152 Cb 0.17 -1.50 0.10 0.00 -1.84 0.00 0.00 35.03 31.97 1zre n LYS 152 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1zre s GLN 153 N -2.89 2.03 0.17 1.97 -1.52 -0.66 -4.93 119.66 113.83 1zre s GLN 153 Ca 0.12 1.51 0.25 0.00 -1.95 0.00 0.00 55.36 55.28 1zre s GLN 153 Cb 0.17 -1.85 0.91 0.00 -0.22 0.00 0.00 33.01 32.03 1zre s GLN 153 CO 0.75 -1.87 1.75 -0.35 -0.25 0.00 0.00 175.29 175.32 1zre n PRO 154 N -3.19 0.17 -0.36 2.91 -0.04 -1.26 -3.09 135.00 130.14 1zre n PRO 154 Ca 0.11 0.25 0.10 0.00 -0.04 0.00 0.00 63.50 63.93 1zre n PRO 154 Cb 0.52 -1.75 0.29 0.00 -0.04 0.00 0.00 33.50 32.52 1zre n PRO 154 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1zre n ASP 155 N -2.06 3.60 -4.70 3.54 5.68 -1.26 -4.88 116.55 116.47 1zre n ASP 155 Ca 0.04 -2.06 -0.39 0.00 -0.50 0.00 0.00 54.79 51.89 1zre n ASP 155 Cb 0.33 -0.45 -0.06 0.00 -1.14 0.00 0.00 41.12 39.79 1zre n ASP 155 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1zre s ALA 156 N -1.23 3.48 0.77 2.12 0.00 -1.18 -4.84 121.76 120.88 1zre s ALA 156 Ca 0.44 -0.21 -0.09 0.00 0.00 0.00 0.00 51.96 52.10 1zre s ALA 156 Cb 0.24 -2.75 0.09 0.00 0.00 0.00 0.00 23.12 20.71 1zre s ALA 156 CO 0.28 -0.16 1.10 -1.64 0.00 0.00 0.00 175.76 175.35 1zre s MET 157 N 0.98 1.83 0.36 0.00 -1.94 0.42 -4.88 119.30 116.07 1zre s MET 157 Ca 0.27 -0.28 -0.00 0.00 -1.71 0.00 0.00 55.69 53.96 1zre s MET 157 Cb -0.16 -2.08 -0.03 0.00 2.01 0.00 0.00 34.83 34.57 1zre s MET 157 CO 0.11 -1.54 0.58 -0.08 -0.01 0.00 0.00 175.02 174.09 1zre s THR 158 N -3.42 5.08 -0.08 2.05 -1.32 -1.26 -0.88 115.64 115.80 1zre s THR 158 Ca 0.63 -0.35 -0.10 0.00 -1.21 0.00 0.00 61.69 60.67 1zre s THR 158 Cb -0.09 -3.86 0.02 0.00 -1.51 0.00 0.00 72.50 67.06 1zre s THR 158 CO 0.47 -0.59 0.26 -2.28 -2.21 0.00 0.00 174.62 170.27 1zre s HIS 159 N -2.37 -0.25 0.52 9.09 5.04 -1.00 -4.52 115.29 121.80 1zre s HIS 159 Ca 0.41 0.60 0.39 0.00 -1.54 0.00 0.00 55.06 54.92 1zre s HIS 159 Cb -0.10 0.09 2.06 0.00 0.04 0.00 0.00 32.58 34.67 1zre s HIS 159 CO 0.37 -0.18 2.26 -1.00 -2.34 0.00 0.00 174.74 173.85 1zre h PRO 160 N 5.40 0.00 -0.01 2.88 0.13 -1.99 -0.01 132.00 138.40 1zre h PRO 160 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1zre h PRO 160 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1zre h PRO 160 CO 0.35 0.01 -0.33 -0.25 -0.23 0.00 0.00 178.00 177.56 1zre n ASP 161 N -3.22 1.76 0.00 1.44 9.92 -1.26 -5.04 116.55 120.16 1zre n ASP 161 Ca -0.02 -1.36 0.00 0.00 -0.53 0.00 0.00 54.79 52.88 1zre n ASP 161 Cb 0.14 0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 1zre n ASP 161 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1zre n GLY 162 N 1.37 -0.58 2.97 0.44 0.00 -0.02 -1.69 105.19 107.68 1zre n GLY 162 Ca 0.11 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 0.28 -0.04 1.61 1.75 -0.50 -2.37 119.30 120.02 1zre s MET 163 Ca 0.00 -0.49 0.05 0.00 -1.25 0.00 0.00 55.69 54.00 1zre s MET 163 Cb 0.00 0.02 -0.01 0.00 2.84 0.00 0.00 34.83 37.68 1zre s MET 163 CO 0.00 -0.02 -0.21 -1.14 -0.65 0.00 0.00 175.02 173.00 1zre s GLN 164 N -1.13 2.00 0.14 4.11 0.74 -0.06 -0.33 119.66 125.13 1zre s GLN 164 Ca -0.11 -0.74 0.06 0.00 0.05 0.00 0.00 55.36 54.62 1zre s GLN 164 Cb -0.08 -1.77 -0.04 0.00 1.10 0.00 0.00 33.01 32.23 1zre s GLN 164 CO -0.01 0.34 -0.14 0.96 -0.55 0.00 0.00 175.29 175.90 1zre s ILE 165 N -0.17 1.41 -0.26 -2.34 -4.36 -0.42 -0.43 121.20 114.63 1zre s ILE 165 Ca -0.00 -1.85 0.02 0.00 -0.26 0.00 0.00 60.65 58.56 1zre s ILE 165 Cb -0.11 -1.67 0.07 0.00 1.25 0.00 0.00 42.46 41.99 1zre s ILE 165 CO 0.02 -0.47 -0.06 -0.75 0.24 0.00 0.00 174.94 173.92 1zre s LYS 166 N -2.96 1.85 0.15 0.37 2.20 -1.26 -1.39 119.74 118.71 1zre s LYS 166 Ca 0.12 -1.29 -0.21 0.00 -0.36 0.00 0.00 55.97 54.24 1zre s LYS 166 Cb -0.03 -2.79 0.06 0.00 -1.51 0.00 0.00 37.83 33.55 1zre s LYS 166 CO 0.04 -0.65 0.55 -1.50 -0.36 0.00 0.00 175.35 173.42 1zre s ILE 167 N 1.20 0.02 0.24 5.43 2.07 0.26 -5.00 121.20 125.42 1zre s ILE 167 Ca -0.04 -0.20 0.06 0.00 -1.41 0.00 0.00 60.65 59.06 1zre s ILE 167 Cb -0.19 -1.08 -0.03 0.00 0.13 0.00 0.00 42.46 41.28 1zre s ILE 167 CO -0.07 -0.09 0.26 0.42 -1.91 0.00 0.00 174.94 173.56 1zre s THR 168 N -3.77 4.79 0.49 4.00 -4.23 -1.26 -4.55 115.64 111.11 1zre s THR 168 Ca 0.02 -1.22 0.18 0.00 -1.18 0.00 0.00 61.69 59.49 1zre s THR 168 Cb -0.00 -3.59 0.25 0.00 1.34 0.00 0.00 72.50 70.49 1zre s THR 168 CO -0.12 -0.33 2.09 0.03 -0.54 0.00 0.00 174.62 175.75 1zre h ARG 169 N 1.39 0.00 0.15 3.99 3.08 -1.93 -0.92 114.38 120.14 1zre h ARG 169 Ca -0.50 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 1zre h ARG 169 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1zre h ARG 169 CO 0.61 0.09 -0.07 0.37 -1.07 0.00 0.00 179.97 179.90 1zre h GLN 170 N 0.00 -0.20 0.33 0.04 5.75 -1.94 -2.41 115.11 116.68 1zre h GLN 170 Ca -0.00 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1zre h GLN 170 Cb 0.17 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 1zre h GLN 170 CO 0.01 0.07 -0.21 0.93 -2.65 0.00 0.00 178.83 176.99 1zre h GLU 171 N -0.46 -0.50 -0.99 1.69 4.39 -1.80 -2.55 114.58 114.37 1zre h GLU 171 Ca -0.02 0.03 0.22 0.00 0.34 0.00 0.00 59.36 59.94 1zre h GLU 171 Cb 0.36 0.11 -0.12 0.00 -0.10 0.00 0.00 28.75 29.00 1zre h GLU 171 CO 0.03 -0.33 0.57 0.82 -1.16 0.00 0.00 179.01 178.95 1zre h ILE 172 N -0.51 0.58 -0.73 3.13 2.04 -1.22 0.33 117.51 121.12 1zre h ILE 172 Ca -0.03 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1zre h ILE 172 Cb 0.43 -0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.39 1zre h ILE 172 CO 0.03 0.11 0.46 1.23 0.00 0.00 0.00 178.15 179.98 1zre h GLY 173 N 0.61 1.04 2.00 5.37 0.00 -1.02 -0.21 103.07 110.87 1zre h GLY 173 Ca 0.61 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1zre h GLY 173 CO -0.45 0.40 0.00 1.46 0.00 0.00 0.00 176.54 177.95 1zre h GLN 174 N 1.00 0.00 0.09 4.80 4.20 -0.14 0.41 115.11 125.48 1zre h GLN 174 Ca 0.27 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.63 1zre h GLN 174 Cb -0.08 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1zre h GLN 174 CO -0.05 0.00 -1.91 -0.89 -0.67 0.00 0.00 178.83 175.31 1zre n ILE 175 N -2.49 1.72 0.23 2.54 5.41 -0.52 0.06 119.36 126.32 1zre n ILE 175 Ca 0.03 -0.53 0.11 0.00 1.00 0.00 0.00 62.75 63.36 1zre n ILE 175 Cb 0.35 -1.78 0.01 0.00 -0.71 0.00 0.00 39.64 37.52 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 -3.66 0.47 -1.75 1.39 0.24 -0.21 -4.77 118.33 110.04 1zre n VAL 176 Ca -0.33 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 1zre n VAL 176 Cb 0.98 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 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 1.24 0.56 0.57 7.63 0.00 0.14 -5.01 105.19 110.31 1zre n GLY 177 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.39 6.08 0.27 0.00 0.01 -1.26 -4.50 113.70 112.90 1zre s SER 179 Ca 0.06 0.60 0.02 0.00 1.31 0.00 0.00 55.95 57.95 1zre s SER 179 Cb 0.00 -1.94 0.37 0.00 0.21 0.00 0.00 66.02 64.66 1zre s SER 179 CO 0.04 -0.59 1.69 0.08 0.41 0.00 0.00 173.24 174.88 1zre h ARG 180 N 0.37 0.48 -0.22 12.44 0.11 -1.89 -1.36 114.38 124.31 1zre h ARG 180 Ca -0.47 -0.20 0.01 0.00 0.10 0.00 0.00 59.98 59.41 1zre h ARG 180 Cb 1.23 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 1zre h ARG 180 CO 0.60 0.73 0.13 0.93 0.10 0.00 0.00 179.97 182.47 1zre h GLU 181 N 0.42 0.27 -0.05 0.08 3.07 -1.94 -0.87 114.58 115.56 1zre h GLU 181 Ca 0.06 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1zre h GLU 181 Cb 0.73 -0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.58 1zre h GLU 181 CO 0.06 0.18 0.03 1.15 -1.40 0.00 0.00 179.01 179.03 1zre h THR 182 N 0.28 1.04 -0.38 1.13 2.02 -1.88 -2.02 112.91 113.10 1zre h THR 182 Ca 0.08 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.23 1zre h THR 182 Cb -0.02 1.01 -0.07 0.00 -1.74 0.00 0.00 68.15 67.34 1zre h THR 182 CO -0.03 0.03 -0.04 0.58 0.37 0.00 0.00 175.52 176.44 1zre h VAL 183 N 0.04 0.68 -0.39 3.16 2.07 -1.08 -2.12 116.25 118.62 1zre h VAL 183 Ca 0.02 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1zre h VAL 183 Cb 0.03 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 1zre h VAL 183 CO -0.00 0.01 0.07 1.23 0.02 0.00 0.00 177.57 178.90 1zre h GLY 184 N 0.06 0.45 0.88 2.17 0.00 -0.88 0.39 103.07 106.13 1zre h GLY 184 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1zre h GLY 184 CO -0.34 -0.04 -0.12 3.21 0.00 0.00 0.00 176.54 179.25 1zre h ARG 185 N 0.19 -0.26 -0.36 4.80 3.08 -0.97 -1.07 114.38 119.80 1zre h ARG 185 Ca 0.19 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 1zre h ARG 185 Cb 0.22 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1zre h ARG 185 CO -0.25 -0.17 0.09 0.82 -1.07 0.00 0.00 179.97 179.39 1zre h ILE 186 N -0.27 1.16 -0.29 2.04 2.04 -1.06 -0.59 117.51 120.55 1zre h ILE 186 Ca -0.00 -0.57 -0.10 0.00 1.00 0.00 0.00 64.86 65.19 1zre h ILE 186 Cb 0.25 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1zre h ILE 186 CO -0.02 0.21 -0.24 0.25 0.00 0.00 0.00 178.15 178.34 1zre h LEU 187 N 0.51 0.57 -0.06 1.44 5.85 0.17 -0.69 115.31 123.11 1zre h LEU 187 Ca 0.12 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1zre h LEU 187 Cb 0.19 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 1zre h LEU 187 CO -0.01 0.81 -0.03 0.50 -0.34 0.00 0.00 178.44 179.38 1zre h LYS 188 N 0.50 0.13 -0.05 1.25 1.63 -0.42 -2.98 116.57 116.63 1zre h LYS 188 Ca 0.07 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.84 1zre h LYS 188 Cb 0.69 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.29 1zre h LYS 188 CO 0.05 0.50 -0.12 0.52 -3.45 0.00 0.00 179.45 176.94 1zre h MET 189 N -0.25 -0.18 -0.10 1.90 2.86 -0.87 -1.12 114.93 117.18 1zre h MET 189 Ca 0.01 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1zre h MET 189 Cb 0.46 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 1zre h MET 189 CO 0.01 -0.12 0.16 -0.07 1.06 0.00 0.00 176.91 177.95 1zre h LEU 190 N -0.19 0.00 -0.04 1.22 3.38 -1.17 -0.06 115.31 118.46 1zre h LEU 190 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1zre h LEU 190 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1zre h LEU 190 CO -0.16 0.00 -0.26 -0.33 0.09 0.00 0.00 178.44 177.78 1zre h GLU 191 N 0.00 0.24 0.00 1.13 5.08 -1.05 -2.00 114.58 117.98 1zre h GLU 191 Ca 0.05 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1zre h GLU 191 Cb 0.38 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1zre h GLU 191 CO -0.00 0.88 0.00 -0.25 -1.00 0.00 0.00 179.01 178.64 1zre n ASP 192 N -4.50 0.00 0.00 1.42 10.43 -0.04 0.12 116.55 123.98 1zre n ASP 192 Ca -0.09 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.27 1zre n ASP 192 Cb 0.48 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.44 1zre n ASP 192 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1zre n GLN 193 N -0.93 1.68 -3.99 -1.24 6.02 -1.12 -5.00 117.38 112.81 1zre n GLN 193 Ca 0.00 -1.13 -0.31 0.00 -0.01 0.00 0.00 57.00 55.54 1zre n GLN 193 Cb 0.00 -0.95 0.01 0.00 1.02 0.00 0.00 30.24 30.32 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 -0.32 -4.32 -0.05 1.08 4.13 0.32 -4.85 115.26 111.25 1zre n ASN 194 Ca 0.00 -0.84 -0.08 0.00 1.68 0.00 0.00 54.58 55.35 1zre n ASN 194 Cb 0.20 -3.61 -0.14 0.00 -1.54 0.00 0.00 39.78 34.69 1zre n ASN 194 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1zre n LEU 195 N -4.61 0.45 -4.16 3.41 4.77 -0.77 -4.91 117.00 111.19 1zre n LEU 195 Ca 0.04 0.21 -0.13 0.00 -0.03 0.00 0.00 56.01 56.10 1zre n LEU 195 Cb 0.52 0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 41.83 1zre n LEU 195 CO 0.78 0.40 -0.08 0.27 -1.33 0.00 0.00 177.39 177.43 1zre s ILE 196 N -2.62 0.00 -0.14 -0.08 -4.36 -1.23 -2.54 121.20 110.23 1zre s ILE 196 Ca -0.07 -1.82 -0.00 0.00 -0.26 0.00 0.00 60.65 58.50 1zre s ILE 196 Cb 0.07 -2.46 0.03 0.00 1.25 0.00 0.00 42.46 41.36 1zre s ILE 196 CO 0.83 0.00 -0.07 -0.55 0.24 0.00 0.00 174.94 175.39 1zre s SER 197 N -3.17 2.46 -0.10 4.36 0.15 0.95 -4.48 113.70 113.87 1zre s SER 197 Ca 0.35 -0.46 0.02 0.00 0.70 0.00 0.00 55.95 56.56 1zre s SER 197 Cb 0.04 -0.87 -0.01 0.00 -1.71 0.00 0.00 66.02 63.46 1zre s SER 197 CO 0.15 -0.15 -0.18 0.00 1.20 0.00 0.00 173.24 174.27 1zre s ALA 198 N 1.68 2.46 -0.31 5.45 0.00 -1.26 -0.28 121.76 129.50 1zre s ALA 198 Ca 0.03 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 1zre s ALA 198 Cb -0.14 -1.00 0.19 0.00 0.00 0.00 0.00 23.12 22.17 1zre s ALA 198 CO -0.08 0.33 0.91 -3.38 0.00 0.00 0.00 175.76 173.54 1zre s HIS 199 N 0.10 -0.88 0.00 0.00 -3.43 -1.00 -5.06 115.29 105.02 1zre s HIS 199 Ca -0.08 0.44 0.00 0.00 -0.80 0.00 0.00 55.06 54.61 1zre s HIS 199 Cb -0.15 0.15 0.00 0.00 -1.43 0.00 0.00 32.58 31.15 1zre s HIS 199 CO 0.05 -0.53 0.00 0.41 -2.00 0.00 0.00 174.74 172.67 1zre n GLY 200 N 4.93 -0.34 0.00 -1.38 0.00 -1.26 -2.99 105.19 104.15 1zre n GLY 200 Ca 0.08 -1.06 0.07 0.00 0.00 0.00 0.00 46.02 45.11 1zre n GLY 200 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1zre n LYS 201 N 0.00 0.23 -3.41 1.61 5.02 -1.26 -4.65 118.16 115.70 1zre n LYS 201 Ca 0.00 0.14 -0.38 0.00 -2.02 0.00 0.00 58.31 56.04 1zre n LYS 201 Cb 0.00 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.43 1zre n LYS 201 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1zre s THR 202 N -2.48 5.20 -0.05 -0.18 2.01 -1.16 -0.57 115.64 118.41 1zre s THR 202 Ca 0.14 0.62 0.03 0.00 0.31 0.00 0.00 61.69 62.79 1zre s THR 202 Cb 0.09 -3.70 0.01 0.00 0.01 0.00 0.00 72.50 68.90 1zre s THR 202 CO 0.19 0.22 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.59 1zre s ILE 203 N 1.58 1.13 -0.23 1.82 1.01 -0.49 -2.37 121.20 123.65 1zre s ILE 203 Ca 0.17 -0.51 -0.04 0.00 0.00 0.00 0.00 60.65 60.27 1zre s ILE 203 Cb -0.15 -1.01 -0.00 0.00 0.01 0.00 0.00 42.46 41.31 1zre s ILE 203 CO 0.08 0.34 -0.03 -0.69 0.00 0.00 0.00 174.94 174.65 1zre s VAL 204 N 0.40 3.39 -0.37 2.92 1.01 0.62 -1.30 120.40 127.07 1zre s VAL 204 Ca -0.09 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.16 1zre s VAL 204 Cb -0.13 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.67 1zre s VAL 204 CO 0.03 0.36 0.38 -0.69 0.00 0.00 0.00 175.10 175.18 1zre s VAL 205 N 1.47 5.15 0.09 2.92 1.01 0.55 -0.03 120.40 131.57 1zre s VAL 205 Ca 0.05 -0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.61 1zre s VAL 205 Cb -0.15 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 1zre s VAL 205 CO -0.03 -0.20 1.40 -0.31 0.00 0.00 0.00 175.10 175.97 1zre s TYR 206 N 2.02 3.14 -1.71 5.22 2.02 -1.05 -1.42 117.35 125.57 1zre s TYR 206 Ca 0.11 0.90 0.14 0.00 -0.37 0.00 0.00 57.07 57.85 1zre s TYR 206 Cb -0.17 -3.69 0.11 0.00 -0.40 0.00 0.00 41.96 37.81 1zre s TYR 206 CO 0.12 -2.45 0.93 0.41 -1.57 0.00 0.00 175.55 172.99