#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2az3 n ASP 5 N 0.00 3.90 -4.75 0.41 5.68 -1.26 -3.73 116.55 116.80 2az3 n ASP 5 Ca 0.00 -3.47 -0.37 0.00 -0.50 0.00 0.00 54.79 50.45 2az3 n ASP 5 Cb 0.00 -0.75 0.05 0.00 -1.14 0.00 0.00 41.12 39.28 2az3 n ASP 5 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 2az3 s GLU 6 N -3.15 2.93 0.03 0.11 2.12 -1.21 -4.69 118.70 114.84 2az3 s GLU 6 Ca 0.53 2.06 0.04 0.00 0.36 0.00 0.00 54.97 57.96 2az3 s GLU 6 Cb 0.44 -2.05 -0.02 0.00 0.26 0.00 0.00 34.13 32.76 2az3 s GLU 6 CO 0.09 -1.30 -0.13 1.03 -0.54 0.00 0.00 175.26 174.42 2az3 s ARG 7 N -3.15 0.88 0.00 4.30 0.52 -1.26 -1.60 118.95 118.63 2az3 s ARG 7 Ca 0.76 -0.68 -0.13 0.00 -0.52 0.00 0.00 55.73 55.16 2az3 s ARG 7 Cb -0.37 -0.86 0.02 0.00 0.52 0.00 0.00 34.95 34.26 2az3 s ARG 7 CO 0.41 0.21 0.27 -0.08 0.02 0.00 0.00 175.30 176.13 2az3 s THR 8 N -0.78 0.07 -0.09 0.02 -1.32 -0.15 -4.69 115.64 108.70 2az3 s THR 8 Ca 0.01 -0.57 -0.15 0.00 -1.21 0.00 0.00 61.69 59.77 2az3 s THR 8 Cb -0.07 -0.65 -0.05 0.00 -1.51 0.00 0.00 72.50 70.22 2az3 s THR 8 CO 0.01 -0.31 0.39 0.12 -2.21 0.00 0.00 174.62 172.62 2az3 s PHE 9 N -1.59 3.58 -0.03 9.09 5.36 -1.26 -0.46 117.98 132.67 2az3 s PHE 9 Ca -0.12 0.84 -0.01 0.00 -0.96 0.00 0.00 56.93 56.68 2az3 s PHE 9 Cb -0.05 -2.38 0.02 0.00 -0.34 0.00 0.00 43.02 40.28 2az3 s PHE 9 CO 0.02 0.38 0.07 0.08 -1.46 0.00 0.00 175.22 174.31 2az3 s VAL 10 N -0.10 -0.04 -0.02 3.12 1.01 -0.52 -2.06 120.40 121.79 2az3 s VAL 10 Ca 0.22 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.35 2az3 s VAL 10 Cb -0.15 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.12 2az3 s VAL 10 CO 0.10 0.06 -0.02 -0.32 0.00 0.00 0.00 175.10 174.91 2az3 s MET 11 N 0.77 0.44 -0.24 2.72 0.00 -0.33 -0.30 119.30 122.36 2az3 s MET 11 Ca -0.06 -0.04 -0.27 0.00 0.00 0.00 0.00 55.69 55.31 2az3 s MET 11 Cb -0.09 -0.52 0.00 0.00 0.00 0.00 0.00 34.83 34.23 2az3 s MET 11 CO -0.03 -0.04 0.95 0.08 0.00 0.00 0.00 175.02 175.97 2az3 s VAL 12 N 0.62 4.75 0.78 10.11 1.01 -0.23 -1.53 120.40 135.91 2az3 s VAL 12 Ca -0.07 1.81 -0.11 0.00 0.00 0.00 0.00 61.98 63.61 2az3 s VAL 12 Cb -0.10 -4.23 0.06 0.00 0.00 0.00 0.00 36.38 32.12 2az3 s VAL 12 CO -0.01 -0.14 1.10 -0.54 0.00 0.00 0.00 175.10 175.51 2az3 s LYS 13 N 3.05 2.20 0.37 2.72 1.02 -0.79 -2.05 119.74 126.25 2az3 s LYS 13 Ca 0.40 0.62 0.10 0.00 0.02 0.00 0.00 55.97 57.11 2az3 s LYS 13 Cb -0.15 -1.93 0.86 0.00 -0.52 0.00 0.00 37.83 36.08 2az3 s LYS 13 CO 0.07 -1.54 1.88 -1.35 -0.92 0.00 0.00 175.35 173.49 2az3 h PRO 14 N -1.03 0.62 0.06 -1.68 0.11 -1.83 0.15 132.00 128.41 2az3 h PRO 14 Ca -0.47 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.63 2az3 h PRO 14 Cb 1.27 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 2az3 h PRO 14 CO 0.60 0.41 -0.20 0.38 -0.21 0.00 0.00 178.00 178.98 2az3 h ASP 15 N 0.64 -0.58 -0.99 -2.05 2.03 -1.91 -0.19 116.42 113.37 2az3 h ASP 15 Ca 0.42 0.07 0.05 0.00 -0.73 0.00 0.00 57.03 56.85 2az3 h ASP 15 Cb 0.72 0.23 -0.06 0.00 -0.83 0.00 0.00 39.33 39.38 2az3 h ASP 15 CO -0.18 -0.28 0.64 1.23 -1.03 0.00 0.00 179.24 179.62 2az3 h GLY 16 N -0.36 1.48 0.89 7.15 0.00 -0.95 -1.57 103.07 109.71 2az3 h GLY 16 Ca 0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2az3 h GLY 16 CO -0.14 0.38 0.06 -2.08 0.00 0.00 0.00 176.54 174.76 2az3 h VAL 17 N 1.21 1.14 -0.55 4.60 2.07 -0.78 -1.98 116.25 121.96 2az3 h VAL 17 Ca 0.41 -0.41 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 2az3 h VAL 17 Cb 0.08 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2az3 h VAL 17 CO -0.15 0.13 -0.05 1.56 0.02 0.00 0.00 177.57 179.08 2az3 h GLN 18 N 0.09 0.99 0.00 1.57 1.08 -0.62 -2.64 115.11 115.58 2az3 h GLN 18 Ca 0.05 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 2az3 h GLN 18 Cb 0.15 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 2az3 h GLN 18 CO -0.00 1.00 0.00 0.54 -0.95 0.00 0.00 178.83 179.42 2az3 n ARG 19 N -4.17 0.84 -2.62 1.46 1.74 -0.63 -4.90 116.66 108.39 2az3 n ARG 19 Ca 0.02 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.05 2az3 n ARG 19 Cb 0.36 -1.27 0.01 0.00 -1.02 0.00 0.00 32.46 30.55 2az3 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2az3 n GLY 20 N 0.53 0.56 0.40 -0.13 0.00 -1.00 -4.96 105.19 100.59 2az3 n GLY 20 Ca 0.11 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.65 2az3 n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2az3 n LEU 21 N -1.30 2.26 0.37 0.99 4.77 -0.77 -4.72 117.00 118.59 2az3 n LEU 21 Ca -0.01 -1.60 -0.18 0.00 -0.03 0.00 0.00 56.01 54.19 2az3 n LEU 21 Cb 0.52 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.42 2az3 n LEU 21 CO 0.12 0.53 0.64 0.40 -1.33 0.00 0.00 177.39 177.76 2az3 h ILE 22 N 1.48 0.33 -0.87 -0.08 2.04 -1.89 -1.96 117.51 116.55 2az3 h ILE 22 Ca 0.00 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.88 2az3 h ILE 22 Cb 0.53 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 2az3 h ILE 22 CO 0.00 0.00 0.56 1.23 0.00 0.00 0.00 178.15 179.95 2az3 h GLY 23 N -0.92 1.27 1.33 5.37 0.00 -1.97 -1.37 103.07 106.78 2az3 h GLY 23 Ca -0.09 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.73 2az3 h GLY 23 CO 0.15 0.36 -0.01 -0.55 0.00 0.00 0.00 176.54 176.50 2az3 h ASP 24 N 1.09 0.78 -0.18 0.19 3.32 -1.84 -0.13 116.42 119.65 2az3 h ASP 24 Ca 0.35 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 57.13 2az3 h ASP 24 Cb 0.01 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 2az3 h ASP 24 CO -0.12 0.85 -0.21 0.40 -1.72 0.00 0.00 179.24 178.44 2az3 h ILE 25 N 0.75 1.34 -0.74 0.35 2.04 -0.80 -2.93 117.51 117.51 2az3 h ILE 25 Ca 0.14 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 2az3 h ILE 25 Cb 0.47 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 38.35 2az3 h ILE 25 CO 0.02 0.42 0.38 0.58 0.00 0.00 0.00 178.15 179.55 2az3 h VAL 26 N 0.10 1.23 0.57 1.67 2.07 -1.09 -2.86 116.25 117.94 2az3 h VAL 26 Ca 0.02 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 2az3 h VAL 26 Cb 0.76 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2az3 h VAL 26 CO 0.05 0.26 -0.29 0.74 0.02 0.00 0.00 177.57 178.35 2az3 h THR 27 N 1.04 0.40 -1.20 2.57 2.02 -0.99 0.07 112.91 116.82 2az3 h THR 27 Ca 0.26 0.00 0.36 0.00 0.77 0.00 0.00 66.41 67.80 2az3 h THR 27 Cb 0.06 0.40 -0.11 0.00 -1.74 0.00 0.00 68.15 66.76 2az3 h THR 27 CO -0.04 0.00 0.78 0.03 0.37 0.00 0.00 175.52 176.66 2az3 h ARG 28 N -0.79 0.21 0.22 6.66 3.08 -1.45 1.03 114.38 123.33 2az3 h ARG 28 Ca -0.07 -0.01 -0.33 0.00 0.07 0.00 0.00 59.98 59.64 2az3 h ARG 28 Cb 0.62 -0.05 0.03 0.00 0.08 0.00 0.00 29.97 30.65 2az3 h ARG 28 CO 0.11 0.14 -1.47 -0.07 -1.07 0.00 0.00 179.97 177.61 2az3 h LEU 29 N 0.21 0.71 -0.50 3.04 3.38 -1.18 -2.87 115.31 118.10 2az3 h LEU 29 Ca 0.70 -0.80 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 2az3 h LEU 29 Cb 2.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 2az3 h LEU 29 CO -0.32 1.63 -0.49 -0.33 0.09 0.00 0.00 178.44 179.02 2az3 h GLU 30 N 0.12 0.68 -0.88 1.13 5.08 -0.21 -2.52 114.58 117.98 2az3 h GLU 30 Ca -0.24 -0.39 0.07 0.00 -1.00 0.00 0.00 59.36 57.79 2az3 h GLU 30 Cb 2.12 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 31.34 2az3 h GLU 30 CO 0.25 1.01 0.54 1.15 -1.00 0.00 0.00 179.01 180.96 2az3 h THR 31 N 0.53 1.03 0.00 1.13 2.02 0.10 -2.92 112.91 114.80 2az3 h THR 31 Ca 0.03 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.87 2az3 h THR 31 Cb 1.04 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 2az3 h THR 31 CO 0.10 0.18 0.00 1.17 0.37 0.00 0.00 175.52 177.34 2az3 n LYS 32 N -4.62 0.63 0.00 6.66 3.00 -1.09 -4.84 118.16 117.91 2az3 n LYS 32 Ca 0.13 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.46 2az3 n LYS 32 Cb 0.20 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.73 2az3 n LYS 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2az3 n GLY 33 N 0.68 0.74 3.77 3.14 0.00 -1.10 -5.06 105.19 107.36 2az3 n GLY 33 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2az3 n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2az3 s LEU 34 N 0.00 4.23 -0.22 0.99 1.43 -0.97 -4.95 118.68 119.19 2az3 s LEU 34 Ca 0.00 2.37 -0.12 0.00 -1.03 0.00 0.00 54.13 55.35 2az3 s LEU 34 Cb 0.00 -3.97 -0.05 0.00 0.03 0.00 0.00 46.19 42.20 2az3 s LEU 34 CO 0.00 -0.64 0.24 -0.75 0.23 0.00 0.00 176.35 175.44 2az3 s LYS 35 N -2.21 4.12 0.12 1.70 2.20 -0.10 -4.32 119.74 121.24 2az3 s LYS 35 Ca 0.56 -0.10 -0.31 0.00 -0.36 0.00 0.00 55.97 55.77 2az3 s LYS 35 Cb -0.31 -3.53 -0.07 0.00 -1.51 0.00 0.00 37.83 32.40 2az3 s LYS 35 CO 0.40 0.04 1.26 1.41 -0.36 0.00 0.00 175.35 178.10 2az3 s MET 36 N 1.10 4.41 -0.00 4.03 -2.45 -1.26 -0.45 119.30 124.68 2az3 s MET 36 Ca 0.12 1.91 0.00 0.00 -1.25 0.00 0.00 55.69 56.46 2az3 s MET 36 Cb -0.14 -3.28 -0.00 0.00 1.25 0.00 0.00 34.83 32.66 2az3 s MET 36 CO 0.05 -0.26 0.00 1.33 1.05 0.00 0.00 175.02 177.19 2az3 n VAL 37 N 3.43 0.00 -3.92 10.11 0.24 0.26 -4.90 118.33 123.56 2az3 n VAL 37 Ca 0.08 -0.22 -0.13 0.00 -2.04 0.00 0.00 64.34 62.03 2az3 n VAL 37 Cb 0.44 0.72 -0.14 0.00 -1.47 0.00 0.00 33.84 33.39 2az3 n VAL 37 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2az3 s GLY 38 N -1.57 0.06 -0.00 7.63 0.00 -0.75 -0.82 107.32 111.86 2az3 s GLY 38 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.70 2az3 s GLY 38 CO 0.00 0.01 -0.00 -0.32 0.00 0.00 0.00 173.10 172.79 2az3 s GLY 39 N 0.05 0.07 -0.30 0.20 0.00 -1.26 -1.15 107.32 104.94 2az3 s GLY 39 Ca -0.00 0.01 -0.07 0.00 0.00 0.00 0.00 44.72 44.66 2az3 s GLY 39 CO -0.00 0.09 0.72 1.25 0.00 0.00 0.00 173.10 175.16 2az3 s LYS 40 N 0.18 0.50 -0.08 2.90 2.20 0.14 -4.96 119.74 120.61 2az3 s LYS 40 Ca -0.01 1.06 -0.25 0.00 -0.36 0.00 0.00 55.97 56.41 2az3 s LYS 40 Cb -0.03 0.62 -0.03 0.00 -1.51 0.00 0.00 37.83 36.88 2az3 s LYS 40 CO -0.01 -0.36 0.77 0.12 -0.36 0.00 0.00 175.35 175.51 2az3 s PHE 41 N 2.83 3.55 -0.14 4.03 5.36 -1.26 0.96 117.98 133.31 2az3 s PHE 41 Ca 0.06 1.31 -0.30 0.00 -0.96 0.00 0.00 56.93 57.04 2az3 s PHE 41 Cb -0.12 -2.90 0.13 0.00 -0.34 0.00 0.00 43.02 39.79 2az3 s PHE 41 CO -0.19 -0.01 1.01 0.00 -1.46 0.00 0.00 175.22 174.58 2az3 s MET 42 N 1.17 0.59 -0.06 10.12 0.23 -0.10 -4.94 119.30 126.30 2az3 s MET 42 Ca 0.40 0.02 -0.07 0.00 -1.03 0.00 0.00 55.69 55.01 2az3 s MET 42 Cb -0.18 0.27 -0.04 0.00 -1.53 0.00 0.00 34.83 33.35 2az3 s MET 42 CO 0.18 -0.21 0.20 0.50 -2.03 0.00 0.00 175.02 173.67 2az3 s ARG 43 N -1.63 3.52 -0.18 3.16 3.52 -1.26 -1.37 118.95 124.72 2az3 s ARG 43 Ca 0.01 -0.09 -0.12 0.00 -0.13 0.00 0.00 55.73 55.40 2az3 s ARG 43 Cb -0.01 -3.15 -0.05 0.00 -1.56 0.00 0.00 34.95 30.18 2az3 s ARG 43 CO -0.02 0.73 0.21 0.42 -0.81 0.00 0.00 175.30 175.83 2az3 s ILE 44 N -1.14 5.36 0.51 4.11 1.01 -1.26 -5.01 121.20 124.78 2az3 s ILE 44 Ca 0.21 0.37 -0.03 0.00 0.00 0.00 0.00 60.65 61.19 2az3 s ILE 44 Cb -0.13 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.79 2az3 s ILE 44 CO 0.10 0.42 0.78 1.51 0.00 0.00 0.00 174.94 177.74 2az3 s ASP 45 N 0.39 5.77 0.18 3.58 1.47 -1.26 -4.55 116.67 122.25 2az3 s ASP 45 Ca 0.12 0.52 -0.14 0.00 1.18 0.00 0.00 52.55 54.23 2az3 s ASP 45 Cb -0.12 -1.66 0.15 0.00 -0.34 0.00 0.00 42.92 40.94 2az3 s ASP 45 CO 0.01 -0.84 1.71 -0.33 0.68 0.00 0.00 175.17 176.40 2az3 h GLU 46 N 0.14 0.19 0.00 2.11 5.08 -1.96 -2.28 114.58 117.86 2az3 h GLU 46 Ca -0.46 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2az3 h GLU 46 Cb 1.25 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2az3 h GLU 46 CO 0.59 0.12 0.00 0.39 -1.00 0.00 0.00 179.01 179.11 2az3 n GLU 47 N -5.13 0.00 -0.29 2.33 1.02 -1.26 -0.94 120.64 116.37 2az3 n GLU 47 Ca 0.04 0.85 0.13 0.00 -0.02 0.00 0.00 57.16 58.16 2az3 n GLU 47 Cb 0.22 -1.39 0.37 0.00 -0.02 0.00 0.00 31.44 30.62 2az3 n GLU 47 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2az3 h LEU 48 N 0.00 0.67 -0.52 -4.62 5.85 -1.88 -0.61 115.31 114.19 2az3 h LEU 48 Ca 0.00 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 2az3 h LEU 48 Cb 0.00 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2az3 h LEU 48 CO 0.00 0.31 0.11 0.00 -0.34 0.00 0.00 178.44 178.53 2az3 h ALA 49 N 1.60 0.69 -0.37 1.25 0.00 -1.18 0.29 119.26 121.54 2az3 h ALA 49 Ca 0.48 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 2az3 h ALA 49 Cb 0.79 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2az3 h ALA 49 CO -0.24 0.40 0.03 0.45 0.00 0.00 0.00 179.25 179.89 2az3 h HIS 50 N 0.73 0.59 -0.04 0.00 3.86 0.51 -1.45 115.15 119.34 2az3 h HIS 50 Ca 0.16 -0.05 -0.21 0.00 -1.16 0.00 0.00 60.37 59.11 2az3 h HIS 50 Cb 0.35 -0.17 0.01 0.00 1.06 0.00 0.00 27.41 28.67 2az3 h HIS 50 CO 0.02 0.55 -0.77 0.93 0.86 0.00 0.00 177.93 179.52 2az3 h GLU 51 N 0.55 0.60 -0.49 2.45 5.08 -1.29 -2.84 114.58 118.63 2az3 h GLU 51 Ca 0.12 -0.59 -0.06 0.00 -1.00 0.00 0.00 59.36 57.83 2az3 h GLU 51 Cb 0.31 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2az3 h GLU 51 CO 0.01 1.20 0.07 1.25 -1.00 0.00 0.00 179.01 180.54 2az3 h HIS 52 N 0.23 0.81 -0.79 4.33 2.76 0.01 -2.96 115.15 119.54 2az3 h HIS 52 Ca -0.08 -0.09 -0.55 0.00 -2.20 0.00 0.00 60.37 57.45 2az3 h HIS 52 Cb 1.44 -0.23 -0.34 0.00 1.55 0.00 0.00 27.41 29.83 2az3 h HIS 52 CO 0.12 0.72 -0.09 0.66 -1.30 0.00 0.00 177.93 178.03 2az3 n TYR 53 N -4.25 2.72 0.45 5.26 4.01 -0.59 -4.73 117.16 120.03 2az3 n TYR 53 Ca 0.03 -2.43 0.11 0.00 -0.16 0.00 0.00 57.90 55.44 2az3 n TYR 53 Cb 0.25 -0.77 0.44 0.00 -0.31 0.00 0.00 39.34 38.95 2az3 n TYR 53 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2az3 n ALA 54 N -0.85 1.70 0.43 -0.72 0.00 -1.07 -1.13 120.51 118.87 2az3 n ALA 54 Ca 0.50 0.04 0.13 0.00 0.00 0.00 0.00 53.44 54.11 2az3 n ALA 54 Cb 0.88 -1.35 0.37 0.00 0.00 0.00 0.00 19.45 19.35 2az3 n ALA 54 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2az3 h GLU 55 N 0.00 0.00 -0.46 0.00 4.11 -1.87 -3.20 114.58 113.17 2az3 h GLU 55 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2az3 h GLU 55 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2az3 h GLU 55 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.80 2az3 n HIS 56 N -2.61 0.60 -1.69 2.06 8.25 -0.29 -4.97 115.22 116.57 2az3 n HIS 56 Ca 0.04 -0.32 -0.44 0.00 -0.26 0.00 0.00 57.72 56.74 2az3 n HIS 56 Cb 0.42 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.51 2az3 n HIS 56 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2az3 n GLU 57 N 1.42 2.11 -0.02 -0.41 2.13 -1.21 -1.86 120.64 122.81 2az3 n GLU 57 Ca 0.19 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.76 2az3 n GLU 57 Cb 0.58 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 29.91 2az3 n GLU 57 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2az3 n ASP 58 N 1.63 0.00 -4.77 4.31 8.00 -1.26 -5.01 116.55 119.45 2az3 n ASP 58 Ca 0.09 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.21 2az3 n ASP 58 Cb 0.34 -0.80 -0.00 0.00 -0.02 0.00 0.00 41.12 40.63 2az3 n ASP 58 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2az3 s LYS 59 N -0.02 3.78 0.57 -1.24 1.02 -0.78 -4.93 119.74 118.16 2az3 s LYS 59 Ca 0.00 1.95 0.30 0.00 0.02 0.00 0.00 55.97 58.24 2az3 s LYS 59 Cb 0.00 -2.53 1.45 0.00 -0.52 0.00 0.00 37.83 36.23 2az3 s LYS 59 CO 0.00 -0.58 1.85 -1.35 -0.92 0.00 0.00 175.35 174.35 2az3 h PRO 60 N 2.24 0.00 -0.02 -1.68 0.11 -1.95 -2.30 132.00 128.40 2az3 h PRO 60 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2az3 h PRO 60 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2az3 h PRO 60 CO 0.61 0.00 -0.26 1.97 -0.21 0.00 0.00 178.00 180.11 2az3 n PHE 61 N -3.85 0.00 -0.02 0.65 1.16 -1.26 -4.57 117.46 109.57 2az3 n PHE 61 Ca 0.13 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.62 2az3 n PHE 61 Cb 0.84 -0.01 -0.03 0.00 -1.61 0.00 0.00 39.48 38.67 2az3 n PHE 61 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 2az3 h PHE 62 N 3.24 -0.23 -0.33 2.97 3.57 -1.65 0.32 116.94 124.84 2az3 h PHE 62 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2az3 h PHE 62 Cb 0.82 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2az3 h PHE 62 CO 0.00 -0.15 0.14 -0.44 -2.23 0.00 0.00 178.31 175.64 2az3 h ASP 63 N -0.09 0.44 -0.16 0.41 3.32 -1.81 -0.31 116.42 118.22 2az3 h ASP 63 Ca 0.09 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.03 2az3 h ASP 63 Cb 0.23 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 2az3 h ASP 63 CO -0.21 0.47 -0.09 1.23 -1.72 0.00 0.00 179.24 178.91 2az3 h GLY 64 N 0.38 0.05 0.17 2.75 0.00 -1.74 -0.36 103.07 104.32 2az3 h GLY 64 Ca 0.11 0.11 0.09 0.00 0.00 0.00 0.00 47.33 47.64 2az3 h GLY 64 CO -0.01 -0.11 -0.08 -2.00 0.00 0.00 0.00 176.54 174.35 2az3 h LEU 65 N -0.08 -0.34 -0.10 3.11 5.85 0.33 0.25 115.31 124.33 2az3 h LEU 65 Ca 0.09 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 2az3 h LEU 65 Cb 0.22 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 2az3 h LEU 65 CO -0.21 -0.12 -0.10 0.58 -0.34 0.00 0.00 178.44 178.25 2az3 h VAL 66 N 0.03 1.36 -0.36 1.05 2.07 -0.80 -0.30 116.25 119.31 2az3 h VAL 66 Ca 0.21 -1.27 0.08 0.00 0.82 0.00 0.00 66.70 66.54 2az3 h VAL 66 Cb 0.33 1.98 -0.08 0.00 -1.52 0.00 0.00 31.29 32.00 2az3 h VAL 66 CO -0.43 0.36 -0.19 0.28 0.02 0.00 0.00 177.57 177.62 2az3 h SER 67 N -0.17 -0.63 -0.16 0.57 0.02 -0.63 -2.59 113.55 109.96 2az3 h SER 67 Ca 0.02 0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 2az3 h SER 67 Cb 0.62 0.34 -0.04 0.00 0.14 0.00 0.00 62.40 63.46 2az3 h SER 67 CO 0.03 -0.22 -0.07 0.15 -1.14 0.00 0.00 176.83 175.57 2az3 h PHE 68 N -0.13 -0.17 -0.00 3.45 3.57 0.72 -2.68 116.94 121.70 2az3 h PHE 68 Ca 0.18 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2az3 h PHE 68 Cb 0.41 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.25 2az3 h PHE 68 CO -0.40 -0.12 -0.02 1.51 -2.23 0.00 0.00 178.31 177.05 2az3 n ILE 69 N -5.22 0.00 0.60 1.41 0.13 -0.24 -1.46 119.36 114.57 2az3 n ILE 69 Ca -0.03 -0.01 0.08 0.00 -1.10 0.00 0.00 62.75 61.69 2az3 n ILE 69 Cb 0.14 -0.43 0.08 0.00 -0.84 0.00 0.00 39.64 38.60 2az3 n ILE 69 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 2az3 n THR 70 N -1.18 0.10 1.49 9.51 5.66 -1.01 -4.55 114.28 124.30 2az3 n THR 70 Ca 0.16 -0.55 0.14 0.00 -3.05 0.00 0.00 64.05 60.75 2az3 n THR 70 Cb 0.23 1.26 0.55 0.00 -1.55 0.00 0.00 70.33 70.82 2az3 n THR 70 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2az3 n SER 71 N 0.94 1.13 0.00 1.09 3.41 -0.54 -4.86 113.62 114.79 2az3 n SER 71 Ca 0.10 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 2az3 n SER 71 Cb 0.42 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 2az3 n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2az3 n GLY 72 N 1.20 0.93 3.71 5.00 0.00 -1.26 -5.10 105.19 109.66 2az3 n GLY 72 Ca 0.18 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 2az3 n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2az3 s PRO 73 N -2.00 0.81 0.15 1.61 0.04 -1.26 -4.65 135.00 129.71 2az3 s PRO 73 Ca 0.00 0.58 0.08 0.00 0.04 0.00 0.00 61.00 61.70 2az3 s PRO 73 Cb 0.00 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 2az3 s PRO 73 CO 0.00 -2.49 -0.17 0.08 0.04 0.00 0.00 177.00 174.46 2az3 s VAL 74 N -3.00 1.70 -0.39 -0.36 1.01 -0.47 -4.06 120.40 114.84 2az3 s VAL 74 Ca 0.64 -1.87 -0.05 0.00 0.00 0.00 0.00 61.98 60.70 2az3 s VAL 74 Cb -0.18 -1.77 0.09 0.00 0.00 0.00 0.00 36.38 34.52 2az3 s VAL 74 CO 0.57 -0.34 0.18 0.12 0.00 0.00 0.00 175.10 175.62 2az3 s PHE 75 N -2.09 3.44 -0.02 5.22 5.36 -0.87 -0.92 117.98 128.10 2az3 s PHE 75 Ca 0.14 -2.03 -0.14 0.00 -0.96 0.00 0.00 56.93 53.94 2az3 s PHE 75 Cb -0.05 -2.90 -0.05 0.00 -0.34 0.00 0.00 43.02 39.67 2az3 s PHE 75 CO 0.06 -0.90 0.38 0.00 -1.46 0.00 0.00 175.22 173.30 2az3 s ALA 76 N 1.25 3.71 0.15 11.12 0.00 0.27 -1.07 121.76 137.19 2az3 s ALA 76 Ca 0.04 -0.27 -0.10 0.00 0.00 0.00 0.00 51.96 51.62 2az3 s ALA 76 Cb -0.22 -2.35 -0.00 0.00 0.00 0.00 0.00 23.12 20.55 2az3 s ALA 76 CO -0.02 0.47 0.29 -1.64 0.00 0.00 0.00 175.76 174.86 2az3 s MET 77 N -0.96 1.10 -0.04 0.00 1.00 0.58 0.28 119.30 121.26 2az3 s MET 77 Ca 0.23 -1.07 0.02 0.00 0.00 0.00 0.00 55.69 54.87 2az3 s MET 77 Cb -0.16 0.39 0.01 0.00 0.00 0.00 0.00 34.83 35.07 2az3 s MET 77 CO 0.12 -0.40 -0.11 0.08 0.00 0.00 0.00 175.02 174.71 2az3 s VAL 78 N -3.92 0.96 0.07 -6.03 1.01 -0.30 -1.44 120.40 110.75 2az3 s VAL 78 Ca 0.13 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.76 2az3 s VAL 78 Cb 0.03 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 2az3 s VAL 78 CO -0.04 0.30 -0.18 0.26 0.00 0.00 0.00 175.10 175.45 2az3 s TRP 79 N 0.44 1.58 0.05 5.22 0.52 0.39 -0.57 118.94 126.56 2az3 s TRP 79 Ca -0.08 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.67 2az3 s TRP 79 Cb -0.12 -0.90 -0.02 0.00 -1.15 0.00 0.00 33.47 31.27 2az3 s TRP 79 CO 0.02 0.12 -0.11 -2.00 0.02 0.00 0.00 176.95 175.00 2az3 s GLU 80 N -1.55 0.69 0.00 4.98 2.12 0.40 -0.98 118.70 124.36 2az3 s GLU 80 Ca 0.04 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.59 2az3 s GLU 80 Cb -0.09 -0.60 0.00 0.00 0.26 0.00 0.00 34.13 33.70 2az3 s GLU 80 CO 0.03 0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.29 2az3 n GLY 81 N 1.59 -0.94 3.69 -1.50 0.00 -0.63 -0.93 105.19 106.47 2az3 n GLY 81 Ca -0.21 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 2az3 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2az3 s ALA 82 N -1.28 3.51 -1.54 4.61 0.00 -1.24 -2.85 121.76 122.97 2az3 s ALA 82 Ca 0.00 0.75 -0.13 0.00 0.00 0.00 0.00 51.96 52.58 2az3 s ALA 82 Cb 0.00 -3.53 0.09 0.00 0.00 0.00 0.00 23.12 19.67 2az3 s ALA 82 CO 0.00 -0.77 0.92 -3.47 0.00 0.00 0.00 175.76 172.44 2az3 n ASP 83 N 5.05 -4.17 0.12 0.00 2.03 -1.26 -4.84 116.55 113.48 2az3 n ASP 83 Ca 0.11 -0.82 0.02 0.00 0.52 0.00 0.00 54.79 54.62 2az3 n ASP 83 Cb 0.45 -3.71 0.36 0.00 -0.72 0.00 0.00 41.12 37.51 2az3 n ASP 83 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2az3 h ALA 84 N 0.95 1.44 0.43 -1.67 0.00 -1.79 -1.24 119.26 117.38 2az3 h ALA 84 Ca -0.59 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.07 2az3 h ALA 84 Cb 1.38 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2az3 h ALA 84 CO 0.68 0.39 -0.27 1.15 0.00 0.00 0.00 179.25 181.20 2az3 h THR 85 N 0.20 0.43 -0.45 0.00 2.02 -1.88 0.80 112.91 114.04 2az3 h THR 85 Ca 0.04 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.13 2az3 h THR 85 Cb 0.46 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 2az3 h THR 85 CO 0.03 0.00 -0.05 -0.09 0.37 0.00 0.00 175.52 175.78 2az3 h ARG 86 N -0.68 0.82 -0.65 6.66 2.43 -1.75 -2.56 114.38 118.65 2az3 h ARG 86 Ca -0.05 -0.29 0.05 0.00 -0.81 0.00 0.00 59.98 58.89 2az3 h ARG 86 Cb 0.56 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 2az3 h ARG 86 CO 0.04 0.91 0.43 1.96 -1.51 0.00 0.00 179.97 181.79 2az3 h GLN 87 N 0.66 0.67 -0.28 0.20 1.08 -0.91 -1.13 115.11 115.39 2az3 h GLN 87 Ca 0.12 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.16 2az3 h GLN 87 Cb 0.57 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2az3 h GLN 87 CO 0.03 0.44 -0.31 0.28 -0.95 0.00 0.00 178.83 178.32 2az3 h VAL 88 N 0.69 1.30 -0.95 -0.54 2.07 -0.59 -1.77 116.25 116.46 2az3 h VAL 88 Ca 0.27 -1.49 0.01 0.00 0.82 0.00 0.00 66.70 66.31 2az3 h VAL 88 Cb 0.20 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 2az3 h VAL 88 CO -0.08 0.48 0.63 0.03 0.02 0.00 0.00 177.57 178.64 2az3 h ARG 89 N 0.45 1.25 -0.45 1.57 2.47 -0.90 0.59 114.38 119.36 2az3 h ARG 89 Ca 0.04 -0.08 -0.07 0.00 -1.26 0.00 0.00 59.98 58.61 2az3 h ARG 89 Cb 0.89 -0.28 -0.02 0.00 -1.65 0.00 0.00 29.97 28.91 2az3 h ARG 89 CO 0.08 0.83 -0.02 1.96 0.56 0.00 0.00 179.97 183.37 2az3 h GLN 90 N 1.28 0.75 -0.57 0.04 4.20 -1.19 -2.46 115.11 117.15 2az3 h GLN 90 Ca 0.35 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 2az3 h GLN 90 Cb -0.15 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.52 2az3 h GLN 90 CO -0.08 0.77 0.34 -0.07 -0.67 0.00 0.00 178.83 179.13 2az3 h LEU 91 N 0.70 0.69 -0.58 1.46 4.07 -0.36 -3.16 115.31 118.14 2az3 h LEU 91 Ca 0.14 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 2az3 h LEU 91 Cb 0.46 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.00 2az3 h LEU 91 CO 0.02 0.55 0.30 0.24 -1.08 0.00 0.00 178.44 178.48 2az3 h MET 92 N 0.78 0.81 0.00 1.13 2.86 -0.67 -1.37 114.93 118.47 2az3 h MET 92 Ca 0.21 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2az3 h MET 92 Cb -0.01 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.50 2az3 h MET 92 CO -0.04 0.64 0.00 0.41 1.06 0.00 0.00 176.91 178.98 2az3 n GLY 93 N -0.99 -0.71 3.60 8.32 0.00 -0.95 -0.92 105.19 113.53 2az3 n GLY 93 Ca 0.03 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 2az3 n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2az3 n ALA 94 N -0.40 -1.55 -0.01 4.61 0.00 -1.26 -4.91 120.51 117.00 2az3 n ALA 94 Ca 0.00 -0.77 -0.18 0.00 0.00 0.00 0.00 53.44 52.49 2az3 n ALA 94 Cb 0.00 -2.12 -0.08 0.00 0.00 0.00 0.00 19.45 17.24 2az3 n ALA 94 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2az3 h THR 95 N -2.16 1.29 -2.85 0.00 1.35 -1.96 -3.36 112.91 105.21 2az3 h THR 95 Ca -0.49 -2.03 -0.55 0.00 -0.55 0.00 0.00 66.41 62.79 2az3 h THR 95 Cb 1.29 2.12 -0.06 0.00 -1.73 0.00 0.00 68.15 69.77 2az3 h THR 95 CO 0.43 0.64 1.10 -0.62 -0.25 0.00 0.00 175.52 176.82 2az3 s ASP 96 N -7.12 6.14 0.36 5.36 -1.08 -1.26 -4.76 116.67 114.30 2az3 s ASP 96 Ca -0.10 0.33 0.15 0.00 -0.52 0.00 0.00 52.55 52.41 2az3 s ASP 96 Cb 0.08 -2.55 1.05 0.00 -1.46 0.00 0.00 42.92 40.05 2az3 s ASP 96 CO 0.90 -1.69 1.71 0.00 0.52 0.00 0.00 175.17 176.61 2az3 h ALA 97 N 11.07 2.04 -0.28 3.66 0.00 -1.68 0.28 119.26 134.35 2az3 h ALA 97 Ca -0.27 0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.85 2az3 h ALA 97 Cb 1.09 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2az3 h ALA 97 CO 1.17 -0.56 0.34 1.96 0.00 0.00 0.00 179.25 182.17 2az3 h GLN 98 N 0.41 0.00 0.00 0.00 4.20 -1.79 -2.46 115.11 115.48 2az3 h GLN 98 Ca 0.68 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.39 2az3 h GLN 98 Cb 1.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.34 2az3 h GLN 98 CO -0.47 0.00 -1.26 -0.25 -0.67 0.00 0.00 178.83 176.17 2az3 n ASP 99 N -3.65 0.88 -4.77 1.46 8.00 0.93 -5.00 116.55 114.40 2az3 n ASP 99 Ca 0.04 -0.49 -0.37 0.00 0.71 0.00 0.00 54.79 54.68 2az3 n ASP 99 Cb 0.49 1.37 -0.02 0.00 -0.02 0.00 0.00 41.12 42.94 2az3 n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2az3 s ALA 100 N -2.90 3.01 0.49 2.24 0.00 -0.91 -4.78 121.76 118.91 2az3 s ALA 100 Ca 0.01 0.87 -0.20 0.00 0.00 0.00 0.00 51.96 52.63 2az3 s ALA 100 Cb 0.12 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.81 2az3 s ALA 100 CO 0.72 -0.54 1.07 0.00 0.00 0.00 0.00 175.76 177.01 2az3 s ALA 101 N -1.58 2.85 0.67 0.00 0.00 -1.26 -4.34 121.76 118.09 2az3 s ALA 101 Ca 0.62 0.70 -0.17 0.00 0.00 0.00 0.00 51.96 53.10 2az3 s ALA 101 Cb -0.27 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.56 2az3 s ALA 101 CO 0.33 -0.45 1.21 -2.30 0.00 0.00 0.00 175.76 174.54 2az3 n PRO 102 N -0.95 0.91 0.00 0.00 -0.02 -1.26 -2.17 135.00 131.51 2az3 n PRO 102 Ca 0.09 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2az3 n PRO 102 Cb 0.52 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2az3 n PRO 102 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2az3 n GLY 103 N 0.95 2.72 3.94 -1.23 0.00 -1.26 -4.96 105.19 105.36 2az3 n GLY 103 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 2az3 n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2az3 s THR 104 N -2.06 4.51 0.03 2.61 -4.23 -0.92 -4.95 115.64 110.63 2az3 s THR 104 Ca 0.00 -0.42 -0.24 0.00 -1.18 0.00 0.00 61.69 59.86 2az3 s THR 104 Cb 0.00 -3.66 -0.17 0.00 1.34 0.00 0.00 72.50 70.01 2az3 s THR 104 CO 0.00 -0.47 1.46 0.40 -0.54 0.00 0.00 174.62 175.47 2az3 h ILE 105 N 0.52 1.25 -0.69 2.99 2.04 -1.05 0.21 117.51 122.78 2az3 h ILE 105 Ca -0.48 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 64.58 2az3 h ILE 105 Cb 1.23 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.96 2az3 h ILE 105 CO 0.59 0.20 0.18 0.03 0.00 0.00 0.00 178.15 179.15 2az3 h ARG 106 N -0.22 1.09 0.00 2.37 3.08 -1.28 -0.01 114.38 119.41 2az3 h ARG 106 Ca 0.01 -0.26 -0.11 0.00 0.07 0.00 0.00 59.98 59.70 2az3 h ARG 106 Cb 0.32 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2az3 h ARG 106 CO 0.00 0.96 -0.52 0.78 -1.07 0.00 0.00 179.97 180.13 2az3 h GLY 107 N 1.03 0.00 0.97 0.04 0.00 -1.59 0.24 103.07 103.76 2az3 h GLY 107 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.25 2az3 h GLY 107 CO 0.00 0.00 -1.37 -0.55 0.00 0.00 0.00 176.54 174.62 2az3 h ASP 108 N 0.00 0.66 0.00 0.19 3.32 -0.33 -3.41 116.42 116.84 2az3 h ASP 108 Ca -0.01 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.12 2az3 h ASP 108 Cb 1.00 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.33 2az3 h ASP 108 CO 0.07 1.64 -0.88 -1.22 -1.72 0.00 0.00 179.24 177.13 2az3 n TYR 109 N -3.82 0.00 -4.17 4.55 4.01 -0.04 -5.03 117.16 112.65 2az3 n TYR 109 Ca -0.19 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.25 2az3 n TYR 109 Cb 1.01 -0.10 -0.09 0.00 -0.31 0.00 0.00 39.34 39.86 2az3 n TYR 109 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2az3 s GLY 110 N -2.42 1.88 -0.07 2.72 0.00 0.86 -5.00 107.32 105.29 2az3 s GLY 110 Ca 0.00 -1.13 0.23 0.00 0.00 0.00 0.00 44.72 43.82 2az3 s GLY 110 CO 0.39 -1.10 1.17 -2.01 0.00 0.00 0.00 173.10 171.56 2az3 n ASN 111 N 0.68 1.26 -3.77 1.64 5.15 -1.26 -4.49 115.26 114.47 2az3 n ASN 111 Ca -0.12 -2.38 -0.10 0.00 -0.60 0.00 0.00 54.58 51.39 2az3 n ASN 111 Cb 0.52 -0.36 -0.05 0.00 -0.53 0.00 0.00 39.78 39.37 2az3 n ASN 111 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2az3 s ASP 112 N -2.41 -0.17 -0.17 1.20 2.15 -1.26 -4.70 116.67 111.30 2az3 s ASP 112 Ca 0.34 -0.54 -0.22 0.00 0.43 0.00 0.00 52.55 52.57 2az3 s ASP 112 Cb 0.38 0.52 -0.20 0.00 -0.30 0.00 0.00 42.92 43.32 2az3 s ASP 112 CO -0.14 -0.96 0.38 0.25 -0.17 0.00 0.00 175.17 174.53 2az3 h LEU 113 N 2.33 0.00 0.19 -1.34 5.85 -1.94 -2.98 115.31 117.42 2az3 h LEU 113 Ca -0.31 -0.63 -0.01 0.00 0.84 0.00 0.00 57.88 57.78 2az3 h LEU 113 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2az3 h LEU 113 CO 0.42 1.22 -0.09 1.23 -0.34 0.00 0.00 178.44 180.88 2az3 h GLY 114 N -1.00 -0.27 -7.59 3.75 0.00 -1.98 -3.38 103.07 92.60 2az3 h GLY 114 Ca -0.18 0.10 -0.72 0.00 0.00 0.00 0.00 47.33 46.53 2az3 h GLY 114 CO -0.11 -0.10 1.05 0.30 0.00 0.00 0.00 176.54 177.68 2az3 s HIS 115 N -4.02 3.35 -0.18 5.60 3.76 -1.26 -4.75 115.29 117.79 2az3 s HIS 115 Ca -0.14 -1.80 0.13 0.00 -0.15 0.00 0.00 55.06 53.11 2az3 s HIS 115 Cb 0.01 -4.27 0.39 0.00 1.11 0.00 0.00 32.58 29.82 2az3 s HIS 115 CO 0.53 -1.42 1.20 0.27 -0.85 0.00 0.00 174.74 174.47 2az3 n ASN 116 N 5.95 1.76 0.00 1.40 6.94 -1.26 -4.08 115.26 125.96 2az3 n ASN 116 Ca 0.30 -3.61 0.00 0.00 -0.02 0.00 0.00 54.58 51.24 2az3 n ASN 116 Cb 0.46 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 2az3 n ASN 116 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2az3 n LEU 117 N -1.06 0.00 -3.55 -4.53 4.77 -1.26 -4.74 117.00 106.62 2az3 n LEU 117 Ca 0.17 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.03 2az3 n LEU 117 Cb 0.71 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.75 2az3 n LEU 117 CO -0.03 0.00 0.66 -0.51 -1.33 0.00 0.00 177.39 176.18 2az3 s ILE 118 N -0.11 0.00 -0.02 -0.08 2.07 -1.26 -1.88 121.20 119.92 2az3 s ILE 118 Ca 0.00 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.25 2az3 s ILE 118 Cb 0.00 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.60 2az3 s ILE 118 CO 0.00 0.00 -0.03 -2.28 -1.91 0.00 0.00 174.94 170.72 2az3 s HIS 119 N -1.33 0.43 0.03 3.50 5.65 -0.58 -4.91 115.29 118.08 2az3 s HIS 119 Ca -0.04 -0.07 0.02 0.00 0.25 0.00 0.00 55.06 55.22 2az3 s HIS 119 Cb -0.00 -0.39 -0.02 0.00 -1.18 0.00 0.00 32.58 30.99 2az3 s HIS 119 CO 0.03 -0.09 -0.08 0.20 -0.65 0.00 0.00 174.74 174.16 2az3 s GLY 120 N 0.51 0.47 0.33 1.59 0.00 -1.26 -1.19 107.32 107.77 2az3 s GLY 120 Ca -0.05 -0.62 -0.29 0.00 0.00 0.00 0.00 44.72 43.75 2az3 s GLY 120 CO -0.01 -0.64 1.33 -0.56 0.00 0.00 0.00 173.10 173.22 2az3 s SER 121 N -1.13 6.72 -0.13 1.64 0.01 -0.87 -4.89 113.70 115.04 2az3 s SER 121 Ca -0.05 2.72 -0.29 0.00 1.31 0.00 0.00 55.95 59.63 2az3 s SER 121 Cb -0.08 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 2az3 s SER 121 CO 0.00 -0.58 1.66 -0.62 0.41 0.00 0.00 173.24 174.12 2az3 s ASP 122 N -0.39 6.49 0.55 2.44 -1.08 -1.26 -4.78 116.67 118.64 2az3 s ASP 122 Ca 0.50 1.95 0.33 0.00 -0.52 0.00 0.00 52.55 54.81 2az3 s ASP 122 Cb -0.41 -2.53 1.54 0.00 -1.46 0.00 0.00 42.92 40.06 2az3 s ASP 122 CO 0.53 -1.12 2.06 1.12 0.52 0.00 0.00 175.17 178.29 2az3 h HIS 123 N 10.31 0.00 -0.58 -5.34 2.07 -1.90 -2.80 115.15 116.91 2az3 h HIS 123 Ca -0.37 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.15 2az3 h HIS 123 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 2az3 h HIS 123 CO 0.90 0.07 0.00 0.39 -3.07 0.00 0.00 177.93 176.21 2az3 n GLU 124 N -3.29 2.63 -3.81 5.12 1.02 -1.26 -4.74 120.64 116.31 2az3 n GLU 124 Ca -0.01 -2.48 -0.37 0.00 -0.02 0.00 0.00 57.16 54.29 2az3 n GLU 124 Cb 0.26 -1.53 -0.13 0.00 -0.02 0.00 0.00 31.44 30.02 2az3 n GLU 124 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2az3 s ASP 125 N -1.17 4.99 0.08 1.62 2.15 -1.06 -5.09 116.67 118.19 2az3 s ASP 125 Ca 0.43 -0.90 -0.31 0.00 0.43 0.00 0.00 52.55 52.21 2az3 s ASP 125 Cb 0.24 -1.82 -0.07 0.00 -0.30 0.00 0.00 42.92 40.96 2az3 s ASP 125 CO 0.31 -0.22 1.43 -1.83 -0.17 0.00 0.00 175.17 174.70 2az3 s GLU 126 N 1.42 4.29 0.00 4.34 -1.05 -1.26 -2.93 118.70 123.51 2az3 s GLU 126 Ca 0.00 2.08 0.00 0.00 -0.15 0.00 0.00 54.97 56.91 2az3 s GLU 126 Cb -0.18 -3.38 0.00 0.00 -0.44 0.00 0.00 34.13 30.13 2az3 s GLU 126 CO 0.01 -0.52 0.00 0.41 0.95 0.00 0.00 175.26 176.11 2az3 n GLY 127 N 3.61 2.38 0.33 -3.83 0.00 -1.26 -4.91 105.19 101.51 2az3 n GLY 127 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.17 2az3 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2az3 h ALA 128 N 0.00 1.60 -0.35 4.61 0.00 -1.83 0.45 119.26 123.75 2az3 h ALA 128 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2az3 h ALA 128 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2az3 h ALA 128 CO 0.00 0.37 0.00 0.27 0.00 0.00 0.00 179.25 179.89 2az3 n ASN 129 N -4.45 0.00 0.28 0.00 0.23 -1.26 -1.40 115.26 108.66 2az3 n ASN 129 Ca 0.05 0.94 0.12 0.00 -0.53 0.00 0.00 54.58 55.17 2az3 n ASN 129 Cb 0.05 -0.44 0.80 0.00 -2.08 0.00 0.00 39.78 38.11 2az3 n ASN 129 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2az3 h GLU 130 N 0.00 0.00 -0.19 -3.83 4.39 -1.78 0.03 114.58 113.21 2az3 h GLU 130 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2az3 h GLU 130 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2az3 h GLU 130 CO 0.00 0.02 0.09 -0.09 -1.16 0.00 0.00 179.01 177.87 2az3 h ARG 131 N 0.00 0.27 0.02 2.33 2.43 0.04 -2.36 114.38 117.12 2az3 h ARG 131 Ca -0.00 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 58.91 2az3 h ARG 131 Cb 0.05 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2az3 h ARG 131 CO 0.00 0.32 -0.96 0.93 -1.51 0.00 0.00 179.97 178.75 2az3 h GLU 132 N 0.17 0.28 -0.61 0.20 5.08 0.20 -2.20 114.58 117.70 2az3 h GLU 132 Ca 0.06 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2az3 h GLU 132 Cb 0.13 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2az3 h GLU 132 CO -0.01 1.05 0.37 0.82 -1.00 0.00 0.00 179.01 180.24 2az3 h ILE 133 N 0.14 1.18 0.00 3.13 2.04 -1.35 -0.55 117.51 122.10 2az3 h ILE 133 Ca -0.07 -0.40 -0.13 0.00 1.00 0.00 0.00 64.86 65.26 2az3 h ILE 133 Cb 1.61 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 2az3 h ILE 133 CO 0.15 0.18 -0.62 0.00 0.00 0.00 0.00 178.15 177.87 2az3 h ALA 134 N 1.19 0.63 -0.59 1.87 0.00 -1.30 0.23 119.26 121.29 2az3 h ALA 134 Ca 0.22 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2az3 h ALA 134 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2az3 h ALA 134 CO -0.04 0.78 0.11 -0.07 0.00 0.00 0.00 179.25 180.02 2az3 h LEU 135 N 0.00 0.92 0.00 0.00 3.38 -1.09 -3.34 115.31 115.17 2az3 h LEU 135 Ca -0.01 -0.25 -0.21 0.00 0.09 0.00 0.00 57.88 57.51 2az3 h LEU 135 Cb 1.43 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 2az3 h LEU 135 CO 0.08 0.94 -2.01 0.49 0.09 0.00 0.00 178.44 178.02 2az3 n PHE 136 N -4.33 0.26 -4.49 1.13 3.72 -0.24 -4.94 117.46 108.57 2az3 n PHE 136 Ca 0.03 0.09 -0.24 0.00 -0.05 0.00 0.00 57.45 57.27 2az3 n PHE 136 Cb 0.26 -0.87 -0.17 0.00 -0.94 0.00 0.00 39.48 37.76 2az3 n PHE 136 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2az3 s PHE 137 N -2.91 1.39 0.48 1.38 0.08 0.75 -5.08 117.98 114.07 2az3 s PHE 137 Ca -0.08 -0.52 -0.22 0.00 0.12 0.00 0.00 56.93 56.23 2az3 s PHE 137 Cb 0.09 -1.05 -0.07 0.00 -0.57 0.00 0.00 43.02 41.43 2az3 s PHE 137 CO 0.85 -0.29 1.18 -0.51 -0.10 0.00 0.00 175.22 176.35 2az3 s ASP 138 N 0.77 5.99 0.32 1.36 1.11 -1.26 -4.41 116.67 120.56 2az3 s ASP 138 Ca -0.13 2.35 0.07 0.00 0.18 0.00 0.00 52.55 55.02 2az3 s ASP 138 Cb -0.15 -2.60 0.91 0.00 1.07 0.00 0.00 42.92 42.14 2az3 s ASP 138 CO 0.02 -1.04 1.54 0.47 1.18 0.00 0.00 175.17 177.34 2az3 n ASP 139 N -0.67 0.01 0.00 0.27 8.00 -1.26 -1.04 116.55 121.86 2az3 n ASP 139 Ca 0.08 1.65 0.02 0.00 0.71 0.00 0.00 54.79 57.26 2az3 n ASP 139 Cb 0.48 -0.66 0.10 0.00 -0.02 0.00 0.00 41.12 41.02 2az3 n ASP 139 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2az3 n ASP 140 N -5.39 0.00 -0.41 -2.24 4.64 -1.26 -2.26 116.55 109.63 2az3 n ASP 140 Ca 0.27 0.48 0.05 0.00 -1.38 0.00 0.00 54.79 54.21 2az3 n ASP 140 Cb 0.90 -0.49 0.06 0.00 -1.04 0.00 0.00 41.12 40.55 2az3 n ASP 140 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2az3 n GLU 141 N -1.49 0.89 -3.76 -0.67 1.02 -0.21 -4.94 120.64 111.48 2az3 n GLU 141 Ca 0.01 -1.26 -0.33 0.00 -0.02 0.00 0.00 57.16 55.57 2az3 n GLU 141 Cb 0.05 -1.19 -0.05 0.00 -0.02 0.00 0.00 31.44 30.24 2az3 n GLU 141 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2az3 s LEU 142 N -0.82 4.33 -0.02 -4.62 1.43 -0.96 -4.57 118.68 113.45 2az3 s LEU 142 Ca 0.13 0.51 0.07 0.00 -1.03 0.00 0.00 54.13 53.81 2az3 s LEU 142 Cb 0.08 -2.97 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 2az3 s LEU 142 CO 0.12 0.16 -0.24 -0.69 0.23 0.00 0.00 176.35 175.93 2az3 s VAL 143 N -1.48 2.25 -0.17 -1.59 1.01 -0.00 -5.01 120.40 115.41 2az3 s VAL 143 Ca 0.34 -1.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 2az3 s VAL 143 Cb -0.13 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2az3 s VAL 143 CO 0.22 0.57 0.06 -1.81 0.00 0.00 0.00 175.10 174.15 2az3 s ASP 144 N -0.66 5.66 0.07 3.32 1.01 -1.26 -4.78 116.67 120.03 2az3 s ASP 144 Ca 0.10 0.12 -0.28 0.00 0.71 0.00 0.00 52.55 53.21 2az3 s ASP 144 Cb -0.10 -1.93 0.09 0.00 1.01 0.00 0.00 42.92 41.98 2az3 s ASP 144 CO -0.01 0.21 1.08 -1.66 0.21 0.00 0.00 175.17 175.00 2az3 s TRP 145 N 0.16 -0.11 -0.25 4.23 1.48 -1.26 -5.14 118.94 118.04 2az3 s TRP 145 Ca 0.05 -0.10 0.02 0.00 -1.06 0.00 0.00 56.10 55.01 2az3 s TRP 145 Cb -0.12 0.60 0.06 0.00 -1.16 0.00 0.00 33.47 32.84 2az3 s TRP 145 CO 0.00 -0.59 -0.10 -0.51 -4.06 0.00 0.00 176.95 171.69 2az3 s ASP 146 N -2.89 4.23 -0.32 -2.66 1.01 -1.26 -5.08 116.67 109.70 2az3 s ASP 146 Ca 0.12 -1.30 -0.29 0.00 0.71 0.00 0.00 52.55 51.80 2az3 s ASP 146 Cb 0.01 -1.47 -0.01 0.00 1.01 0.00 0.00 42.92 42.46 2az3 s ASP 146 CO -0.01 -0.19 1.59 -0.60 0.21 0.00 0.00 175.17 176.18 2az3 s ARG 147 N 1.17 3.59 0.37 8.23 3.00 -1.26 -4.91 118.95 129.15 2az3 s ARG 147 Ca -0.07 1.35 0.27 0.00 -1.00 0.00 0.00 55.73 56.28 2az3 s ARG 147 Cb -0.19 -4.07 1.15 0.00 0.00 0.00 0.00 34.95 31.84 2az3 s ARG 147 CO -0.06 -1.54 1.82 -0.44 0.00 0.00 0.00 175.30 175.08 2az3 h ASP 148 N 11.30 0.00 0.92 -2.12 3.32 -2.03 -1.73 116.42 126.08 2az3 h ASP 148 Ca -0.31 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 2az3 h ASP 148 Cb 1.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.69 2az3 h ASP 148 CO 1.04 0.00 -0.11 0.00 -1.72 0.00 0.00 179.24 178.45 2az3 h ALA 149 N 2.16 1.03 -0.22 3.45 0.00 -2.01 -3.21 119.26 120.47 2az3 h ALA 149 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2az3 h ALA 149 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2az3 h ALA 149 CO 0.00 0.13 0.24 0.77 0.00 0.00 0.00 179.25 180.39 2az3 h SER 150 N 0.00 0.00 0.99 0.00 0.02 -1.68 0.52 113.55 113.40 2az3 h SER 150 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2az3 h SER 150 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2az3 h SER 150 CO 0.01 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 2az3 h ALA 151 N 1.72 1.00 0.00 3.77 0.00 -1.75 -2.53 119.26 121.48 2az3 h ALA 151 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2az3 h ALA 151 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2az3 h ALA 151 CO -0.00 0.00 -1.29 0.91 0.00 0.00 0.00 179.25 178.87 2az3 n TRP 152 N -2.87 0.00 0.08 0.00 7.02 0.17 -4.37 117.44 117.48 2az3 n TRP 152 Ca 0.01 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.39 2az3 n TRP 152 Cb 0.30 -0.19 -0.11 0.00 -2.42 0.00 0.00 31.31 28.88 2az3 n TRP 152 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 2az3 h VAL 153 N 0.00 1.61 -4.11 -0.99 2.07 -1.30 -3.46 116.25 110.06 2az3 h VAL 153 Ca 0.00 -3.19 -0.53 0.00 0.82 0.00 0.00 66.70 63.80 2az3 h VAL 153 Cb 0.61 2.84 -0.25 0.00 -1.52 0.00 0.00 31.29 32.97 2az3 h VAL 153 CO 0.00 0.92 -0.82 -0.31 0.02 0.00 0.00 177.57 177.38 2az3 s TYR 154 N -2.75 1.61 -2.00 1.57 2.02 -0.96 -5.09 117.35 111.75 2az3 s TYR 154 Ca -0.01 -0.37 0.04 0.00 -0.37 0.00 0.00 57.07 56.36 2az3 s TYR 154 Cb 0.09 -0.95 0.25 0.00 -0.40 0.00 0.00 41.96 40.95 2az3 s TYR 154 CO 0.85 0.08 0.73 0.39 -1.57 0.00 0.00 175.55 176.02