#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fzb s MET 4 N 0.00 2.40 0.16 -1.40 0.23 -1.26 -4.98 119.30 114.45 3fzb s MET 4 Ca 0.00 -1.57 -0.16 0.00 -1.03 0.00 0.00 55.69 52.93 3fzb s MET 4 Cb 0.00 -2.66 0.05 0.00 -1.53 0.00 0.00 34.83 30.69 3fzb s MET 4 CO 0.00 -0.75 1.78 -0.22 -2.03 0.00 0.00 175.02 173.80 3fzb h LYS 5 N 0.27 0.39 -0.45 3.16 1.63 -1.93 -2.61 116.57 117.03 3fzb h LYS 5 Ca -0.32 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.49 3fzb h LYS 5 Cb 1.29 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.81 3fzb h LYS 5 CO 0.42 0.26 0.30 0.45 -3.45 0.00 0.00 179.45 177.42 3fzb h HIS 6 N 0.40 0.46 -0.37 1.91 3.86 -1.97 0.25 115.15 119.70 3fzb h HIS 6 Ca 0.16 0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.26 3fzb h HIS 6 Cb 0.07 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 3fzb h HIS 6 CO -0.10 0.27 -0.26 1.15 0.86 0.00 0.00 177.93 179.85 3fzb h THR 7 N 0.48 1.28 -0.32 2.45 2.02 -1.88 -2.65 112.91 114.29 3fzb h THR 7 Ca 0.18 -1.41 -0.09 0.00 0.77 0.00 0.00 66.41 65.86 3fzb h THR 7 Cb 0.13 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3fzb h THR 7 CO -0.04 0.47 -0.15 -0.33 0.37 0.00 0.00 175.52 175.84 3fzb h GLU 8 N 0.63 0.66 0.38 6.66 5.08 -1.09 -2.94 114.58 123.97 3fzb h GLU 8 Ca 0.07 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3fzb h GLU 8 Cb 0.83 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 3fzb h GLU 8 CO 0.07 0.87 -0.49 -0.07 -1.00 0.00 0.00 179.01 178.40 3fzb h LEU 9 N 0.42 -1.37 -0.51 1.33 3.38 -0.93 -1.23 115.31 116.39 3fzb h LEU 9 Ca 0.07 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.24 3fzb h LEU 9 Cb 0.67 0.47 -0.06 0.00 0.09 0.00 0.00 40.66 41.83 3fzb h LEU 9 CO 0.05 -0.61 0.16 0.03 0.09 0.00 0.00 178.44 178.16 3fzb h ARG 10 N -0.89 0.31 -0.57 1.13 3.08 -1.57 -2.59 114.38 113.28 3fzb h ARG 10 Ca -0.05 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.02 3fzb h ARG 10 Cb 0.80 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 3fzb h ARG 10 CO -0.12 0.21 0.34 0.00 -1.07 0.00 0.00 179.97 179.33 3fzb h ALA 11 N 1.36 0.74 -0.93 0.04 0.00 -1.38 0.42 119.26 119.52 3fzb h ALA 11 Ca 0.25 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.29 3fzb h ALA 11 Cb 0.30 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 3fzb h ALA 11 CO -0.28 0.06 0.55 0.00 0.00 0.00 0.00 179.25 179.58 3fzb h ALA 12 N 1.26 1.43 0.03 0.00 0.00 -0.82 0.80 119.26 121.95 3fzb h ALA 12 Ca 0.24 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3fzb h ALA 12 Cb 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3fzb h ALA 12 CO -0.11 0.07 -0.01 0.28 0.00 0.00 0.00 179.25 179.47 3fzb h VAL 13 N 0.82 1.40 -0.42 0.00 2.07 -1.16 -2.19 116.25 116.77 3fzb h VAL 13 Ca 0.49 -1.43 0.08 0.00 0.82 0.00 0.00 66.70 66.66 3fzb h VAL 13 Cb 0.59 2.34 -0.07 0.00 -1.52 0.00 0.00 31.29 32.63 3fzb h VAL 13 CO -0.31 0.36 0.01 -0.07 0.02 0.00 0.00 177.57 177.58 3fzb h LEU 14 N -0.67 -0.15 -0.56 2.57 3.38 0.87 -0.42 115.31 120.33 3fzb h LEU 14 Ca -0.00 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3fzb h LEU 14 Cb 0.62 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3fzb h LEU 14 CO 0.01 -0.04 0.16 0.44 0.09 0.00 0.00 178.44 179.10 3fzb h ASP 15 N 0.12 0.83 -0.78 -0.43 5.19 0.51 -1.28 116.42 120.59 3fzb h ASP 15 Ca 0.21 -0.22 0.02 0.00 -0.62 0.00 0.00 57.03 56.42 3fzb h ASP 15 Cb 0.29 -0.22 -0.04 0.00 0.18 0.00 0.00 39.33 39.54 3fzb h ASP 15 CO -0.34 0.83 0.51 0.00 -3.12 0.00 0.00 179.24 177.13 3fzb h ALA 16 N 1.03 1.00 -0.64 3.45 0.00 -0.87 -0.75 119.26 122.49 3fzb h ALA 16 Ca 0.18 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3fzb h ALA 16 Cb 0.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3fzb h ALA 16 CO -0.00 0.37 0.10 -0.07 0.00 0.00 0.00 179.25 179.65 3fzb h LEU 17 N 1.03 1.02 -0.23 0.00 3.38 -0.64 -2.27 115.31 117.61 3fzb h LEU 17 Ca 0.30 -0.26 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 3fzb h LEU 17 Cb -0.08 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.40 3fzb h LEU 17 CO -0.08 1.02 -0.91 -0.08 0.09 0.00 0.00 178.44 178.49 3fzb h GLU 18 N 0.97 0.30 -0.92 1.13 4.81 -1.11 -1.82 114.58 117.94 3fzb h GLU 18 Ca 0.19 -0.32 0.10 0.00 -0.13 0.00 0.00 59.36 59.20 3fzb h GLU 18 Cb 0.44 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.84 3fzb h GLU 18 CO 0.01 1.03 0.56 0.87 -0.73 0.00 0.00 179.01 180.75 3fzb h LYS 19 N 0.17 0.90 0.03 1.92 1.57 -0.92 -2.74 116.57 117.50 3fzb h LYS 19 Ca -0.06 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.50 3fzb h LYS 19 Cb 1.54 -0.20 0.02 0.00 0.08 0.00 0.00 32.23 33.66 3fzb h LYS 19 CO 0.15 0.59 -0.68 1.25 -0.57 0.00 0.00 179.45 180.19 3fzb h HIS 20 N 0.93 0.62 -1.51 -1.35 -0.00 -1.29 -3.45 115.15 109.10 3fzb h HIS 20 Ca 0.44 -0.36 -0.16 0.00 -0.00 0.00 0.00 60.37 60.29 3fzb h HIS 20 Cb 0.39 -0.06 -0.26 0.00 -0.00 0.00 0.00 27.41 27.48 3fzb h HIS 20 CO -0.03 1.20 -0.52 0.34 -0.00 0.00 0.00 177.93 178.92 3fzb s ASP 21 N -6.83 -0.15 0.15 3.26 2.15 -0.70 -5.00 116.67 109.56 3fzb s ASP 21 Ca -0.13 -0.53 0.09 0.00 0.43 0.00 0.00 52.55 52.41 3fzb s ASP 21 Cb 0.03 1.32 0.51 0.00 -0.30 0.00 0.00 42.92 44.48 3fzb s ASP 21 CO 0.83 -0.30 1.26 0.35 -0.17 0.00 0.00 175.17 177.14 3fzb n THR 22 N 5.05 1.42 -0.05 1.71 -2.24 -1.19 -4.21 114.28 114.77 3fzb n THR 22 Ca 0.05 0.61 -0.01 0.00 -2.27 0.00 0.00 64.05 62.43 3fzb n THR 22 Cb 0.51 -1.61 -0.01 0.00 -2.10 0.00 0.00 70.33 67.11 3fzb n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fzb n GLY 23 N -1.38 -1.47 3.94 3.38 0.00 -1.26 -4.66 105.19 103.73 3fzb n GLY 23 Ca -0.01 0.36 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 3fzb n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fzb s ALA 24 N -3.90 2.79 -0.34 4.61 0.00 -1.26 -4.88 121.76 118.78 3fzb s ALA 24 Ca -0.01 -1.20 -0.14 0.00 0.00 0.00 0.00 51.96 50.60 3fzb s ALA 24 Cb 0.01 -2.59 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 3fzb s ALA 24 CO 0.07 -1.91 0.29 0.95 0.00 0.00 0.00 175.76 175.16 3fzb s THR 25 N -3.56 5.24 0.39 0.00 -4.23 -0.56 -4.96 115.64 107.95 3fzb s THR 25 Ca 0.68 -0.08 -0.15 0.00 -1.18 0.00 0.00 61.69 60.96 3fzb s THR 25 Cb -0.06 -3.75 -0.09 0.00 1.34 0.00 0.00 72.50 69.95 3fzb s THR 25 CO 0.49 -0.02 0.82 -0.36 -0.54 0.00 0.00 174.62 175.00 3fzb s PHE 26 N 1.84 3.40 -0.04 3.99 0.40 -1.26 -2.34 117.98 123.97 3fzb s PHE 26 Ca 0.08 1.28 0.05 0.00 -0.60 0.00 0.00 56.93 57.74 3fzb s PHE 26 Cb -0.17 -2.61 -0.01 0.00 0.51 0.00 0.00 43.02 40.75 3fzb s PHE 26 CO 0.11 -0.06 -0.17 -0.06 0.70 0.00 0.00 175.22 175.73 3fzb s PHE 27 N -2.21 1.70 -0.94 0.36 0.40 0.71 -4.91 117.98 113.09 3fzb s PHE 27 Ca 0.56 -0.45 -0.15 0.00 -0.60 0.00 0.00 56.93 56.29 3fzb s PHE 27 Cb -0.10 -1.13 0.20 0.00 0.51 0.00 0.00 43.02 42.50 3fzb s PHE 27 CO 0.22 -0.13 0.99 0.34 0.70 0.00 0.00 175.22 177.34 3fzb s ASP 28 N -0.07 6.85 0.00 1.36 2.15 -1.26 -0.96 116.67 124.74 3fzb s ASP 28 Ca -0.01 -2.68 0.00 0.00 0.43 0.00 0.00 52.55 50.28 3fzb s ASP 28 Cb -0.10 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 3fzb s ASP 28 CO 0.02 -0.68 0.00 0.61 -0.17 0.00 0.00 175.17 174.94 3fzb n GLY 29 N 4.21 2.52 3.62 2.66 0.00 -0.67 -4.98 105.19 112.56 3fzb n GLY 29 Ca 0.21 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 3fzb n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fzb s ARG 30 N -2.14 4.05 0.29 1.61 3.52 -1.26 -4.36 118.95 120.67 3fzb s ARG 30 Ca 0.00 0.69 -0.30 0.00 -0.13 0.00 0.00 55.73 55.99 3fzb s ARG 30 Cb 0.00 -3.69 -0.12 0.00 -1.56 0.00 0.00 34.95 29.58 3fzb s ARG 30 CO 0.00 -0.59 1.59 -2.30 -0.81 0.00 0.00 175.30 173.18 3fzb n PRO 31 N 6.08 2.66 -0.04 5.12 -0.02 -1.26 -4.93 135.00 142.61 3fzb n PRO 31 Ca 0.04 0.95 -0.13 0.00 -2.02 0.00 0.00 63.50 62.34 3fzb n PRO 31 Cb 0.48 -2.72 -0.11 0.00 -0.02 0.00 0.00 33.50 31.13 3fzb n PRO 31 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fzb h ALA 32 N 4.77 -0.03 -2.87 3.55 0.00 -2.04 -3.47 119.26 119.18 3fzb h ALA 32 Ca -0.47 -0.36 -0.21 0.00 0.00 0.00 0.00 54.91 53.86 3fzb h ALA 32 Cb 1.23 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.83 3fzb h ALA 32 CO 0.79 -0.12 -0.71 0.14 0.00 0.00 0.00 179.25 179.35 3fzb s VAL 33 N -2.96 0.37 0.36 0.00 -7.23 -1.26 -5.18 120.40 104.51 3fzb s VAL 33 Ca -0.16 -1.22 0.03 0.00 -1.81 0.00 0.00 61.98 58.81 3fzb s VAL 33 Cb -0.01 -0.74 0.03 0.00 0.56 0.00 0.00 36.38 36.22 3fzb s VAL 33 CO 0.63 -0.56 0.21 0.49 -0.31 0.00 0.00 175.10 175.56 3fzb n PHE 34 N 1.15 -0.53 -4.55 2.82 3.01 -1.26 -5.14 117.46 112.95 3fzb n PHE 34 Ca -0.21 -1.58 -0.23 0.00 1.01 0.00 0.00 57.45 56.44 3fzb n PHE 34 Cb 0.56 -0.28 -0.16 0.00 -0.01 0.00 0.00 39.48 39.59 3fzb n PHE 34 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3fzb s ASP 35 N -3.09 1.58 0.16 4.37 -1.08 -1.26 -5.03 116.67 112.32 3fzb s ASP 35 Ca 0.16 -0.25 0.05 0.00 -0.52 0.00 0.00 52.55 51.99 3fzb s ASP 35 Cb -0.01 -0.49 0.49 0.00 -1.46 0.00 0.00 42.92 41.44 3fzb s ASP 35 CO 0.10 0.08 0.76 -0.62 0.52 0.00 0.00 175.17 176.02 3fzb n GLU 36 N 3.36 -0.03 -0.01 4.34 -0.58 -1.26 -0.96 120.64 125.49 3fzb n GLU 36 Ca -0.19 0.70 -0.13 0.00 -0.42 0.00 0.00 57.16 57.12 3fzb n GLU 36 Cb 0.53 -1.17 -0.10 0.00 -0.57 0.00 0.00 31.44 30.13 3fzb n GLU 36 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3fzb h ALA 37 N 0.97 -0.00 -0.89 0.62 0.00 -2.03 -3.34 119.26 114.59 3fzb h ALA 37 Ca 0.34 -0.25 0.32 0.00 0.00 0.00 0.00 54.91 55.32 3fzb h ALA 37 Cb 0.81 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.44 3fzb h ALA 37 CO -0.42 -0.25 0.27 -0.25 0.00 0.00 0.00 179.25 178.60 3fzb n ASP 38 N -4.85 0.12 -4.68 0.00 8.00 -0.13 -4.49 116.55 110.51 3fzb n ASP 38 Ca -0.09 1.49 -0.45 0.00 0.71 0.00 0.00 54.79 56.45 3fzb n ASP 38 Cb 0.26 -0.64 -0.04 0.00 -0.02 0.00 0.00 41.12 40.67 3fzb n ASP 38 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3fzb n PHE 39 N -5.14 2.40 -2.06 1.24 0.99 -1.26 -3.75 117.46 109.89 3fzb n PHE 39 Ca 0.28 0.15 -0.41 0.00 -0.00 0.00 0.00 57.45 57.47 3fzb n PHE 39 Cb 0.94 -2.60 -0.02 0.00 -1.00 0.00 0.00 39.48 36.80 3fzb n PHE 39 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 3fzb s PRO 40 N 1.55 4.30 0.05 -1.08 0.02 -1.26 -5.00 135.00 133.58 3fzb s PRO 40 Ca 0.80 2.26 0.06 0.00 0.02 0.00 0.00 61.00 64.15 3fzb s PRO 40 Cb -0.63 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 30.76 3fzb s PRO 40 CO 0.39 -0.32 -0.14 0.00 -0.33 0.00 0.00 177.00 176.60 3fzb s ALA 41 N -0.51 2.78 -0.17 -1.55 0.00 -0.85 -1.50 121.76 119.96 3fzb s ALA 41 Ca 0.55 -1.18 -0.05 0.00 0.00 0.00 0.00 51.96 51.28 3fzb s ALA 41 Cb -0.41 -0.85 0.06 0.00 0.00 0.00 0.00 23.12 21.92 3fzb s ALA 41 CO 0.48 0.60 0.08 0.14 0.00 0.00 0.00 175.76 177.06 3fzb s VAL 42 N -1.03 0.00 -0.10 0.00 -7.23 -0.99 -1.25 120.40 109.81 3fzb s VAL 42 Ca 0.17 -0.21 -0.03 0.00 -1.81 0.00 0.00 61.98 60.10 3fzb s VAL 42 Cb -0.11 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 36.17 3fzb s VAL 42 CO 0.08 -0.26 0.02 0.00 -0.31 0.00 0.00 175.10 174.64 3fzb s ALA 43 N 2.10 3.37 -0.21 1.32 0.00 -0.16 -0.21 121.76 127.97 3fzb s ALA 43 Ca 0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 3fzb s ALA 43 Cb -0.16 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.39 3fzb s ALA 43 CO -0.09 0.56 -0.11 0.08 0.00 0.00 0.00 175.76 176.21 3fzb s VAL 44 N -0.81 2.73 0.31 0.00 1.01 -0.13 -1.34 120.40 122.17 3fzb s VAL 44 Ca 0.13 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 3fzb s VAL 44 Cb -0.12 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 34.01 3fzb s VAL 44 CO 0.02 0.39 0.53 -0.72 0.00 0.00 0.00 175.10 175.33 3fzb s TYR 45 N 1.36 0.59 0.20 5.22 -0.85 -0.43 -1.66 117.35 121.78 3fzb s TYR 45 Ca 0.04 -0.96 0.10 0.00 -0.52 0.00 0.00 57.07 55.72 3fzb s TYR 45 Cb -0.15 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.35 3fzb s TYR 45 CO -0.07 -1.15 -0.19 -0.51 -1.52 0.00 0.00 175.55 172.10 3fzb s LEU 46 N -3.11 2.48 -0.01 -3.49 1.43 -1.26 0.16 118.68 114.88 3fzb s LEU 46 Ca 0.24 -0.91 -0.17 0.00 -1.03 0.00 0.00 54.13 52.27 3fzb s LEU 46 Cb -0.01 -0.94 0.03 0.00 0.03 0.00 0.00 46.19 45.30 3fzb s LEU 46 CO 0.14 -0.00 0.35 0.42 0.23 0.00 0.00 176.35 177.49 3fzb s THR 47 N -2.15 0.05 -1.28 5.49 -4.23 -0.75 -4.92 115.64 107.86 3fzb s THR 47 Ca 0.20 -0.44 -0.07 0.00 -1.18 0.00 0.00 61.69 60.20 3fzb s THR 47 Cb -0.06 -0.70 0.01 0.00 1.34 0.00 0.00 72.50 73.09 3fzb s THR 47 CO 0.09 -0.24 1.11 0.61 -0.54 0.00 0.00 174.62 175.65 3fzb n GLY 48 N 1.13 -0.47 3.65 3.99 0.00 -1.26 -1.86 105.19 110.37 3fzb n GLY 48 Ca -0.21 0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3fzb n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fzb s ALA 49 N -3.31 3.59 0.02 4.61 0.00 -1.26 -4.28 121.76 121.13 3fzb s ALA 49 Ca 0.47 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.56 3fzb s ALA 49 Cb -0.21 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.28 3fzb s ALA 49 CO 0.70 -1.28 -0.10 -1.83 0.00 0.00 0.00 175.76 173.25 3fzb s GLU 50 N 3.47 0.73 0.16 0.00 -1.05 0.69 -4.96 118.70 117.73 3fzb s GLU 50 Ca 0.46 -0.58 -0.31 0.00 -0.15 0.00 0.00 54.97 54.39 3fzb s GLU 50 Cb -0.14 -0.67 -0.09 0.00 -0.44 0.00 0.00 34.13 32.79 3fzb s GLU 50 CO 0.12 0.17 1.38 1.52 0.95 0.00 0.00 175.26 179.39 3fzb s TYR 51 N -0.73 3.21 -1.22 4.83 -0.00 -1.26 -0.76 117.35 121.43 3fzb s TYR 51 Ca -0.01 1.02 0.11 0.00 -0.00 0.00 0.00 57.07 58.19 3fzb s TYR 51 Cb -0.07 -3.69 0.17 0.00 -0.00 0.00 0.00 41.96 38.38 3fzb s TYR 51 CO 0.01 -2.33 1.00 0.25 -0.00 0.00 0.00 175.55 174.48 3fzb n THR 52 N 3.39 0.38 0.00 -3.49 -2.24 0.34 -4.89 114.28 107.75 3fzb n THR 52 Ca 0.10 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3fzb n THR 52 Cb 0.42 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 3fzb n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fzb n GLY 53 N 0.59 0.73 3.76 3.38 0.00 -1.16 -4.94 105.19 107.55 3fzb n GLY 53 Ca 0.08 -2.26 -0.24 0.00 0.00 0.00 0.00 46.02 43.60 3fzb n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fzb s GLU 54 N -0.79 2.74 -0.40 1.61 2.02 -1.26 0.18 118.70 122.80 3fzb s GLU 54 Ca 0.00 -1.06 0.10 0.00 0.02 0.00 0.00 54.97 54.04 3fzb s GLU 54 Cb 0.00 -2.50 0.35 0.00 0.10 0.00 0.00 34.13 32.09 3fzb s GLU 54 CO 0.00 0.43 0.91 0.39 0.02 0.00 0.00 175.26 177.01 3fzb n GLU 55 N -0.71 1.01 -1.08 1.61 1.02 -1.26 -4.88 120.64 116.35 3fzb n GLU 55 Ca -0.08 -2.82 -0.03 0.00 -0.02 0.00 0.00 57.16 54.21 3fzb n GLU 55 Cb 0.57 -1.36 -0.01 0.00 -0.02 0.00 0.00 31.44 30.61 3fzb n GLU 55 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3fzb n LEU 56 N 0.23 -0.07 -0.00 -4.62 4.32 -1.26 -4.95 117.00 110.65 3fzb n LEU 56 Ca 0.16 0.07 0.00 0.00 -0.02 0.00 0.00 56.01 56.22 3fzb n LEU 56 Cb 0.70 -1.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.43 3fzb n LEU 56 CO 0.15 -0.27 0.00 -1.54 -1.22 0.00 0.00 177.39 174.50 3fzb n SER 58 N 0.44 -0.02 -4.57 -1.43 3.41 -1.26 -5.16 113.62 105.03 3fzb n SER 58 Ca -0.03 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.22 3fzb n SER 58 Cb 0.15 0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 3fzb n SER 58 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3fzb s ASP 59 N -0.01 5.60 -0.13 4.04 1.11 -1.26 -4.30 116.67 121.71 3fzb s ASP 59 Ca 0.00 -0.03 -0.07 0.00 0.18 0.00 0.00 52.55 52.63 3fzb s ASP 59 Cb 0.00 -2.00 -0.04 0.00 1.07 0.00 0.00 42.92 41.95 3fzb s ASP 59 CO 0.00 0.05 0.12 0.42 1.18 0.00 0.00 175.17 176.94 3fzb s THR 60 N 1.11 5.34 0.38 -1.27 -4.23 0.13 -3.04 115.64 114.06 3fzb s THR 60 Ca 0.05 0.15 0.08 0.00 -1.18 0.00 0.00 61.69 60.79 3fzb s THR 60 Cb -0.14 -3.34 -0.07 0.00 1.34 0.00 0.00 72.50 70.29 3fzb s THR 60 CO 0.04 0.59 -0.03 0.26 -0.54 0.00 0.00 174.62 174.93 3fzb s TRP 61 N -0.75 2.47 0.01 3.99 0.52 0.15 -0.51 118.94 124.82 3fzb s TRP 61 Ca 0.13 -0.61 0.00 0.00 0.02 0.00 0.00 56.10 55.65 3fzb s TRP 61 Cb -0.12 -1.62 -0.01 0.00 -1.15 0.00 0.00 33.47 30.57 3fzb s TRP 61 CO 0.03 0.50 -0.03 -1.14 0.02 0.00 0.00 176.95 176.33 3fzb s GLN 62 N -3.67 0.22 0.18 4.98 0.74 0.06 -1.81 119.66 120.36 3fzb s GLN 62 Ca 0.34 -0.33 -0.24 0.00 0.05 0.00 0.00 55.36 55.18 3fzb s GLN 62 Cb 0.07 -0.03 0.06 0.00 1.10 0.00 0.00 33.01 34.20 3fzb s GLN 62 CO 0.17 -0.00 0.76 0.00 -0.55 0.00 0.00 175.29 175.68 3fzb s ALA 63 N -0.72 -1.51 -0.35 1.58 0.00 -0.39 -0.22 121.76 120.15 3fzb s ALA 63 Ca -0.07 0.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.99 3fzb s ALA 63 Cb -0.05 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.83 3fzb s ALA 63 CO -0.00 -0.91 0.21 -2.00 0.00 0.00 0.00 175.76 173.05 3fzb s GLU 64 N -3.61 3.11 -0.02 0.00 2.12 -0.78 -0.37 118.70 119.14 3fzb s GLU 64 Ca 0.08 -0.89 -0.26 0.00 0.36 0.00 0.00 54.97 54.25 3fzb s GLU 64 Cb -0.03 -3.72 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 3fzb s GLU 64 CO -0.02 -0.58 0.83 -1.17 -0.54 0.00 0.00 175.26 173.78 3fzb s LEU 65 N 1.61 4.36 -0.04 2.70 2.96 0.12 -1.80 118.68 128.59 3fzb s LEU 65 Ca 0.04 1.42 0.05 0.00 -0.22 0.00 0.00 54.13 55.42 3fzb s LEU 65 Cb -0.18 -3.31 -0.02 0.00 0.50 0.00 0.00 46.19 43.17 3fzb s LEU 65 CO 0.08 -0.16 -0.18 -1.00 -1.32 0.00 0.00 176.35 173.76 3fzb s HIS 66 N 0.78 2.58 -0.21 5.38 3.76 0.43 -1.33 115.29 126.66 3fzb s HIS 66 Ca 0.44 -0.28 -0.02 0.00 -0.15 0.00 0.00 55.06 55.05 3fzb s HIS 66 Cb -0.19 -1.59 0.06 0.00 1.11 0.00 0.00 32.58 31.97 3fzb s HIS 66 CO 0.23 0.09 0.02 0.42 -0.85 0.00 0.00 174.74 174.66 3fzb s ILE 67 N -0.65 0.75 -0.07 0.60 1.09 -0.25 -1.31 121.20 121.36 3fzb s ILE 67 Ca 0.10 -0.77 0.05 0.00 -1.10 0.00 0.00 60.65 58.93 3fzb s ILE 67 Cb -0.11 -1.24 -0.01 0.00 -1.06 0.00 0.00 42.46 40.04 3fzb s ILE 67 CO 0.00 -0.24 -0.24 -0.70 -0.10 0.00 0.00 174.94 173.66 3fzb s GLU 68 N 1.75 2.69 -0.26 2.79 2.12 -0.45 -0.54 118.70 126.80 3fzb s GLU 68 Ca -0.01 -0.89 -0.05 0.00 0.36 0.00 0.00 54.97 54.38 3fzb s GLU 68 Cb -0.17 -2.21 0.00 0.00 0.26 0.00 0.00 34.13 32.01 3fzb s GLU 68 CO -0.09 0.33 0.01 0.08 -0.54 0.00 0.00 175.26 175.05 3fzb s VAL 69 N -0.04 3.58 -0.13 3.70 1.01 -0.65 -0.98 120.40 126.89 3fzb s VAL 69 Ca -0.07 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 3fzb s VAL 69 Cb -0.15 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 3fzb s VAL 69 CO 0.05 0.23 0.08 -0.36 0.00 0.00 0.00 175.10 175.10 3fzb s PHE 70 N 1.46 3.39 0.33 5.22 0.40 -0.38 -2.08 117.98 126.32 3fzb s PHE 70 Ca 0.03 0.32 0.04 0.00 -0.60 0.00 0.00 56.93 56.72 3fzb s PHE 70 Cb -0.16 -1.95 -0.01 0.00 0.51 0.00 0.00 43.02 41.41 3fzb s PHE 70 CO -0.01 0.50 0.14 1.28 0.70 0.00 0.00 175.22 177.83 3fzb n LEU 71 N 2.49 0.00 0.00 -0.37 4.77 -0.58 -2.02 117.00 121.29 3fzb n LEU 71 Ca -0.19 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.22 3fzb n LEU 71 Cb 0.54 0.93 0.00 0.00 -2.33 0.00 0.00 43.42 42.56 3fzb n LEU 71 CO 0.32 -0.40 0.00 0.00 -1.33 0.00 0.00 177.39 175.97 3fzb n ALA 73 N -1.36 0.00 -2.76 -1.18 0.00 -1.26 -2.77 120.51 111.17 3fzb n ALA 73 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 3fzb n ALA 73 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 3fzb n ALA 73 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3fzb s GLN 74 N 0.00 3.46 0.35 0.00 -1.52 -1.26 -2.60 119.66 118.09 3fzb s GLN 74 Ca 0.00 -1.23 0.09 0.00 -1.95 0.00 0.00 55.36 52.27 3fzb s GLN 74 Cb 0.00 -4.84 -0.06 0.00 -0.22 0.00 0.00 33.01 27.88 3fzb s GLN 74 CO 0.00 -1.95 -0.06 0.14 -0.25 0.00 0.00 175.29 173.17 3fzb s VAL 75 N 3.96 2.29 0.36 1.09 -7.23 -1.26 -5.05 120.40 114.56 3fzb s VAL 75 Ca 0.35 -2.13 -0.28 0.00 -1.81 0.00 0.00 61.98 58.10 3fzb s VAL 75 Cb -0.06 -2.72 -0.11 0.00 0.56 0.00 0.00 36.38 34.06 3fzb s VAL 75 CO -0.03 -0.18 1.40 -2.16 -0.31 0.00 0.00 175.10 173.82 3fzb s PRO 76 N -3.64 4.20 0.30 4.82 0.04 -1.26 -4.91 135.00 134.54 3fzb s PRO 76 Ca 0.33 2.40 0.04 0.00 0.04 0.00 0.00 61.00 63.81 3fzb s PRO 76 Cb 0.03 -3.00 0.68 0.00 0.04 0.00 0.00 34.50 32.25 3fzb s PRO 76 CO 0.17 -0.39 1.79 -0.44 0.04 0.00 0.00 177.00 178.18 3fzb h ASP 77 N 3.14 0.80 -0.86 6.66 3.32 -1.99 0.13 116.42 127.62 3fzb h ASP 77 Ca -0.50 0.09 0.23 0.00 0.02 0.00 0.00 57.03 56.87 3fzb h ASP 77 Cb 1.23 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 3fzb h ASP 77 CO 0.65 0.32 0.60 0.77 -1.72 0.00 0.00 179.24 179.86 3fzb h SER 78 N 0.81 0.12 -0.16 6.45 4.64 -1.99 0.96 113.55 124.39 3fzb h SER 78 Ca 0.55 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.74 3fzb h SER 78 Cb 0.79 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 3fzb h SER 78 CO -0.36 0.05 -0.40 -0.08 -0.87 0.00 0.00 176.83 175.17 3fzb h GLU 79 N 0.12 0.69 -0.23 4.77 4.81 -1.33 0.31 114.58 123.73 3fzb h GLU 79 Ca 0.42 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3fzb h GLU 79 Cb 1.47 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 3fzb h GLU 79 CO -0.06 0.97 0.01 -0.07 -0.73 0.00 0.00 179.01 179.13 3fzb h LEU 80 N 0.57 0.38 -0.03 1.64 3.38 0.75 -1.60 115.31 120.41 3fzb h LEU 80 Ca 0.05 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3fzb h LEU 80 Cb 0.93 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 3fzb h LEU 80 CO 0.08 0.58 -0.39 0.44 0.09 0.00 0.00 178.44 179.24 3fzb h ASP 81 N 0.18 -1.19 -0.97 -0.43 3.32 -0.23 0.31 116.42 117.40 3fzb h ASP 81 Ca 0.07 0.15 0.27 0.00 0.02 0.00 0.00 57.03 57.54 3fzb h ASP 81 Cb 0.37 0.47 -0.14 0.00 0.22 0.00 0.00 39.33 40.26 3fzb h ASP 81 CO 0.01 -0.43 0.52 0.00 -1.72 0.00 0.00 179.24 177.61 3fzb h ALA 82 N 0.08 1.75 -0.11 3.45 0.00 -0.71 0.85 119.26 124.57 3fzb h ALA 82 Ca 0.06 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3fzb h ALA 82 Cb 0.62 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3fzb h ALA 82 CO -0.32 -0.42 -0.34 2.35 0.00 0.00 0.00 179.25 180.52 3fzb h TRP 83 N 0.42 0.56 -0.44 0.00 2.91 -0.51 -2.59 115.95 116.30 3fzb h TRP 83 Ca 0.66 -0.22 0.08 0.00 1.13 0.00 0.00 58.89 60.53 3fzb h TRP 83 Cb 1.36 -0.09 -0.07 0.00 -0.51 0.00 0.00 29.16 29.85 3fzb h TRP 83 CO -0.05 0.96 0.04 1.98 -1.03 0.00 0.00 178.44 180.33 3fzb h MET 84 N 0.00 0.15 0.00 2.65 4.05 0.13 0.35 114.93 122.26 3fzb h MET 84 Ca -0.01 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 3fzb h MET 84 Cb 0.97 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.73 3fzb h MET 84 CO 0.07 0.10 -0.05 0.93 0.23 0.00 0.00 176.91 178.20 3fzb h GLU 85 N 0.16 0.00 0.00 0.39 3.07 0.62 0.12 114.58 118.94 3fzb h GLU 85 Ca 0.22 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.07 3fzb h GLU 85 Cb 0.30 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 3fzb h GLU 85 CO -0.33 0.05 -1.08 -1.13 -1.40 0.00 0.00 179.01 175.12 3fzb n SER 86 N -3.21 4.60 -0.00 1.42 3.41 -0.86 -4.50 113.62 114.47 3fzb n SER 86 Ca -0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 3fzb n SER 86 Cb 0.27 1.02 -0.09 0.00 -0.26 0.00 0.00 64.21 65.15 3fzb n SER 86 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3fzb n ARG 87 N -1.62 1.05 0.01 4.33 5.12 0.12 -4.77 116.66 120.90 3fzb n ARG 87 Ca -0.01 -0.09 -0.02 0.00 -1.93 0.00 0.00 57.85 55.80 3fzb n ARG 87 Cb 0.10 -1.26 -0.01 0.00 -1.16 0.00 0.00 32.46 30.14 3fzb n ARG 87 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 3fzb n ILE 88 N -1.78 1.17 -0.29 0.55 2.08 -0.69 -4.65 119.36 115.76 3fzb n ILE 88 Ca -0.01 0.31 0.09 0.00 0.56 0.00 0.00 62.75 63.70 3fzb n ILE 88 Cb 0.31 -1.73 0.24 0.00 -0.75 0.00 0.00 39.64 37.71 3fzb n ILE 88 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 3fzb h TYR 89 N -0.25 0.63 -0.37 1.39 0.05 -1.24 -0.80 116.97 116.38 3fzb h TYR 89 Ca 0.00 0.04 0.07 0.00 0.05 0.00 0.00 58.73 58.89 3fzb h TYR 89 Cb 0.25 -0.15 -0.06 0.00 1.01 0.00 0.00 36.73 37.77 3fzb h TYR 89 CO -0.11 0.06 -0.03 -1.00 -1.05 0.00 0.00 178.16 176.03 3fzb h PRO 90 N 0.48 0.06 0.92 4.88 0.13 -1.83 0.89 132.00 137.54 3fzb h PRO 90 Ca 0.48 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.56 3fzb h PRO 90 Cb 0.79 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.92 3fzb h PRO 90 CO -0.44 0.04 -0.44 0.28 -0.23 0.00 0.00 178.00 177.21 3fzb h VAL 91 N 0.07 0.00 -0.22 1.56 2.07 -1.54 -2.50 116.25 115.68 3fzb h VAL 91 Ca 0.18 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.67 3fzb h VAL 91 Cb 0.26 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 3fzb h VAL 91 CO -0.32 0.00 0.53 0.24 0.02 0.00 0.00 177.57 178.04 3fzb h MET 92 N -1.32 0.00 -1.19 1.57 2.86 -1.04 -2.30 114.93 113.51 3fzb h MET 92 Ca -0.13 0.00 0.43 0.00 -2.06 0.00 0.00 59.70 57.95 3fzb h MET 92 Cb 0.95 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.46 3fzb h MET 92 CO 0.21 0.00 0.73 0.43 1.06 0.00 0.00 176.91 179.34 3fzb n SER 93 N -3.12 0.24 0.00 1.22 7.64 0.29 -4.38 113.62 115.50 3fzb n SER 93 Ca 0.03 1.38 0.00 0.00 1.01 0.00 0.00 58.87 61.30 3fzb n SER 93 Cb 0.64 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 3fzb n SER 93 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3fzb n ASP 94 N -4.75 0.00 -3.71 6.43 2.03 -0.87 -5.12 116.55 110.56 3fzb n ASP 94 Ca 0.37 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.40 3fzb n ASP 94 Cb 1.40 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 41.68 3fzb n ASP 94 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3fzb s ILE 95 N 0.00 1.78 0.29 5.18 1.01 -1.26 -4.97 121.20 123.23 3fzb s ILE 95 Ca 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 60.65 57.30 3fzb s ILE 95 Cb 0.00 -2.20 0.40 0.00 0.01 0.00 0.00 42.46 40.67 3fzb s ILE 95 CO 0.00 -1.03 1.58 1.55 0.00 0.00 0.00 174.94 177.04 3fzb h PRO 96 N 5.88 0.02 -0.95 2.79 0.13 -1.98 0.39 132.00 138.27 3fzb h PRO 96 Ca 0.12 -0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.43 3fzb h PRO 96 Cb 0.85 -0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.87 3fzb h PRO 96 CO 0.56 0.01 0.55 0.00 -0.23 0.00 0.00 178.00 178.89 3fzb h ALA 97 N 1.94 1.53 0.32 -0.56 0.00 -1.95 0.21 119.26 120.75 3fzb h ALA 97 Ca 0.53 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.50 3fzb h ALA 97 Cb 0.98 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3fzb h ALA 97 CO -0.91 -0.05 -0.15 1.25 0.00 0.00 0.00 179.25 179.38 3fzb h LEU 98 N 0.73 -0.36 -1.20 0.00 5.85 -0.57 -3.25 115.31 116.49 3fzb h LEU 98 Ca 0.54 -0.08 0.27 0.00 0.84 0.00 0.00 57.88 59.44 3fzb h LEU 98 Cb 0.81 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.82 3fzb h LEU 98 CO -0.38 0.11 0.64 0.77 -0.34 0.00 0.00 178.44 179.24 3fzb h SER 99 N -1.06 0.53 0.16 1.25 4.64 -1.00 0.16 113.55 118.23 3fzb h SER 99 Ca -0.04 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3fzb h SER 99 Cb 0.42 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3fzb h SER 99 CO 0.07 0.07 0.00 0.47 -0.87 0.00 0.00 176.83 176.57 3fzb n ASP 100 N -4.75 0.00 -0.18 4.97 8.00 0.71 -2.28 116.55 123.01 3fzb n ASP 100 Ca 0.27 0.33 0.04 0.00 0.71 0.00 0.00 54.79 56.13 3fzb n ASP 100 Cb 0.86 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 3fzb n ASP 100 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3fzb n LEU 101 N -1.38 1.09 -4.66 0.64 4.77 0.55 -5.04 117.00 112.97 3fzb n LEU 101 Ca 0.02 -0.79 -0.30 0.00 -0.03 0.00 0.00 56.01 54.92 3fzb n LEU 101 Cb 0.06 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 3fzb n LEU 101 CO 0.05 0.23 -0.24 0.27 -1.33 0.00 0.00 177.39 176.36 3fzb s ILE 102 N -1.08 1.12 -0.17 -0.08 -4.36 -0.97 -4.57 121.20 111.10 3fzb s ILE 102 Ca 0.06 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.49 3fzb s ILE 102 Cb 0.06 -2.35 -0.13 0.00 1.25 0.00 0.00 42.46 41.29 3fzb s ILE 102 CO 0.18 0.00 -0.11 0.41 0.24 0.00 0.00 174.94 175.66 3fzb n THR 103 N -1.10 1.00 -3.71 8.37 -1.04 0.88 -4.95 114.28 113.72 3fzb n THR 103 Ca -0.13 -0.43 -0.14 0.00 -2.04 0.00 0.00 64.05 61.31 3fzb n THR 103 Cb 0.66 -1.01 -0.09 0.00 -1.82 0.00 0.00 70.33 68.08 3fzb n THR 103 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3fzb s SER 104 N -5.47 -0.35 -0.03 8.00 1.04 -1.15 -4.99 113.70 110.75 3fzb s SER 104 Ca -0.20 0.45 0.01 0.00 0.48 0.00 0.00 55.95 56.69 3fzb s SER 104 Cb 0.06 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.74 3fzb s SER 104 CO 0.45 -0.37 -0.01 -0.32 0.98 0.00 0.00 173.24 173.97 3fzb s MET 105 N -0.78 0.37 0.04 4.02 0.00 -1.26 -1.43 119.30 120.26 3fzb s MET 105 Ca -0.09 0.04 0.02 0.00 0.00 0.00 0.00 55.69 55.66 3fzb s MET 105 Cb -0.04 -0.51 -0.03 0.00 0.00 0.00 0.00 34.83 34.26 3fzb s MET 105 CO 0.04 -0.11 -0.07 0.54 0.00 0.00 0.00 175.02 175.42 3fzb s VAL 106 N 0.91 0.48 0.31 10.11 0.11 -0.58 -4.98 120.40 126.77 3fzb s VAL 106 Ca -0.10 -1.15 -0.28 0.00 -2.93 0.00 0.00 61.98 57.52 3fzb s VAL 106 Cb -0.13 -0.67 -0.10 0.00 -1.53 0.00 0.00 36.38 33.96 3fzb s VAL 106 CO -0.01 -0.46 1.14 0.00 -3.33 0.00 0.00 175.10 172.43 3fzb s ALA 107 N -1.65 3.37 0.00 1.54 0.00 -1.26 -0.44 121.76 123.31 3fzb s ALA 107 Ca -0.09 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3fzb s ALA 107 Cb -0.08 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3fzb s ALA 107 CO -0.01 -0.28 0.00 0.45 0.00 0.00 0.00 175.76 175.93 3fzb n SER 108 N 0.91 0.00 -3.59 0.00 2.88 -0.41 -4.74 113.62 108.67 3fzb n SER 108 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 3fzb n SER 108 Cb 0.45 -0.03 -0.06 0.00 -0.75 0.00 0.00 64.21 63.82 3fzb n SER 108 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3fzb s GLY 109 N -2.13 1.54 -0.36 0.46 0.00 -1.10 -5.00 107.32 100.73 3fzb s GLY 109 Ca 0.00 -1.60 -0.00 0.00 0.00 0.00 0.00 44.72 43.12 3fzb s GLY 109 CO 0.00 -1.14 0.18 -0.47 0.00 0.00 0.00 173.10 171.67 3fzb s TYR 110 N -3.53 1.24 -0.10 1.90 5.04 -1.26 -1.18 117.35 119.47 3fzb s TYR 110 Ca 0.34 -1.76 -0.02 0.00 -2.44 0.00 0.00 57.07 53.19 3fzb s TYR 110 Cb 0.02 -1.37 -0.03 0.00 0.35 0.00 0.00 41.96 40.92 3fzb s TYR 110 CO 0.19 -0.83 -0.02 -0.51 -1.34 0.00 0.00 175.55 173.04 3fzb s ASP 111 N 1.16 5.06 -0.28 4.32 1.01 -0.15 -4.88 116.67 122.90 3fzb s ASP 111 Ca 0.15 0.06 -0.14 0.00 0.71 0.00 0.00 52.55 53.33 3fzb s ASP 111 Cb -0.21 -1.49 -0.04 0.00 1.01 0.00 0.00 42.92 42.19 3fzb s ASP 111 CO -0.11 0.33 0.32 -0.31 0.21 0.00 0.00 175.17 175.61 3fzb s TYR 112 N -0.58 3.23 0.50 4.23 1.51 -1.26 0.16 117.35 125.15 3fzb s TYR 112 Ca 0.09 0.28 0.04 0.00 -1.01 0.00 0.00 57.07 56.48 3fzb s TYR 112 Cb -0.12 -2.53 -0.01 0.00 -0.11 0.00 0.00 41.96 39.19 3fzb s TYR 112 CO 0.02 -0.24 0.14 1.03 -1.11 0.00 0.00 175.55 175.40 3fzb s ARG 113 N 1.99 2.20 0.14 -0.62 0.52 -0.45 -4.97 118.95 117.75 3fzb s ARG 113 Ca 0.13 -2.20 -0.25 0.00 -0.52 0.00 0.00 55.73 52.89 3fzb s ARG 113 Cb -0.16 -1.76 0.06 0.00 0.52 0.00 0.00 34.95 33.61 3fzb s ARG 113 CO 0.10 -0.38 0.85 1.03 0.02 0.00 0.00 175.30 176.92 3fzb s ARG 114 N -3.99 1.23 0.16 3.54 1.81 -1.26 -0.40 118.95 120.05 3fzb s ARG 114 Ca 0.21 -0.62 -0.30 0.00 -1.72 0.00 0.00 55.73 53.30 3fzb s ARG 114 Cb 0.01 0.46 -0.07 0.00 -0.45 0.00 0.00 34.95 34.91 3fzb s ARG 114 CO 0.12 -0.56 1.12 0.34 -0.68 0.00 0.00 175.30 175.64 3fzb s ASP 115 N -2.81 7.23 -0.17 0.23 -1.08 0.86 -4.92 116.67 116.01 3fzb s ASP 115 Ca 0.09 2.08 0.01 0.00 -0.52 0.00 0.00 52.55 54.21 3fzb s ASP 115 Cb -0.02 -2.60 -0.11 0.00 -1.46 0.00 0.00 42.92 38.73 3fzb s ASP 115 CO -0.01 -0.26 -0.15 -0.90 0.52 0.00 0.00 175.17 174.36 3fzb n ASP 116 N 2.61 2.67 0.11 -0.34 5.75 -1.26 -4.04 116.55 122.06 3fzb n ASP 116 Ca 0.04 -0.09 -0.04 0.00 -0.01 0.00 0.00 54.79 54.68 3fzb n ASP 116 Cb 0.46 -0.26 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 3fzb n ASP 116 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3fzb h ASP 117 N 0.00 -0.24 -0.10 -1.12 5.19 -2.00 -3.40 116.42 114.74 3fzb h ASP 117 Ca -0.38 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 3fzb h ASP 117 Cb 1.59 0.06 0.00 0.00 0.18 0.00 0.00 39.33 41.16 3fzb h ASP 117 CO -0.06 -0.13 0.00 0.00 -3.12 0.00 0.00 179.24 175.93 3fzb n ALA 118 N -2.21 2.30 -2.25 3.45 0.00 -1.26 -5.00 120.51 115.53 3fzb n ALA 118 Ca -0.04 -0.81 -0.19 0.00 0.00 0.00 0.00 53.44 52.40 3fzb n ALA 118 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 19.45 19.31 3fzb n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fzb n GLY 119 N 0.23 -0.07 0.21 0.00 0.00 -1.26 -4.87 105.19 99.43 3fzb n GLY 119 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 3fzb n GLY 119 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3fzb h LEU 120 N 0.00 0.13 -8.13 0.99 8.10 -1.94 -3.38 115.31 111.08 3fzb h LEU 120 Ca -0.45 -0.04 -0.07 0.00 0.11 0.00 0.00 57.88 57.43 3fzb h LEU 120 Cb 1.33 -0.04 -0.10 0.00 -0.44 0.00 0.00 40.66 41.41 3fzb h LEU 120 CO 0.55 0.40 -0.16 -1.66 -4.11 0.00 0.00 178.44 173.47 3fzb s TRP 121 N -4.44 0.33 -0.01 0.17 1.48 -1.26 -4.12 118.94 111.08 3fzb s TRP 121 Ca -0.04 -0.68 -0.01 0.00 -1.06 0.00 0.00 56.10 54.31 3fzb s TRP 121 Cb 0.15 0.14 0.00 0.00 -1.16 0.00 0.00 33.47 32.60 3fzb s TRP 121 CO 0.73 -0.91 0.03 -1.54 -4.06 0.00 0.00 176.95 171.21 3fzb s SER 122 N -2.99 -0.03 0.32 -2.66 1.04 -1.07 -0.10 113.70 108.21 3fzb s SER 122 Ca 0.20 0.07 0.03 0.00 0.48 0.00 0.00 55.95 56.73 3fzb s SER 122 Cb 0.00 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 3fzb s SER 122 CO 0.05 -0.01 0.13 -0.94 0.98 0.00 0.00 173.24 173.45 3fzb s SER 123 N 0.03 1.86 -0.08 7.02 1.04 0.47 -1.52 113.70 122.52 3fzb s SER 123 Ca -0.00 -1.53 0.02 0.00 0.48 0.00 0.00 55.95 54.92 3fzb s SER 123 Cb -0.00 0.31 0.02 0.00 0.10 0.00 0.00 66.02 66.44 3fzb s SER 123 CO 0.00 -0.83 -0.11 0.00 0.98 0.00 0.00 173.24 173.28 3fzb s ALA 124 N -3.50 1.28 -0.27 5.32 0.00 -0.88 -1.35 121.76 122.36 3fzb s ALA 124 Ca 0.34 -0.45 -0.00 0.00 0.00 0.00 0.00 51.96 51.85 3fzb s ALA 124 Cb 0.05 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.57 3fzb s ALA 124 CO 0.16 -0.02 -0.06 0.34 0.00 0.00 0.00 175.76 176.18 3fzb s ASP 125 N 0.92 4.50 -0.28 0.00 2.15 0.43 -1.63 116.67 122.75 3fzb s ASP 125 Ca -0.10 -1.16 -0.16 0.00 0.43 0.00 0.00 52.55 51.56 3fzb s ASP 125 Cb -0.15 -1.64 -0.03 0.00 -0.30 0.00 0.00 42.92 40.80 3fzb s ASP 125 CO 0.01 -0.19 0.41 -0.22 -0.17 0.00 0.00 175.17 175.01 3fzb s LEU 126 N 1.23 4.11 -0.00 -1.34 2.96 0.30 -0.98 118.68 124.96 3fzb s LEU 126 Ca -0.04 0.25 0.07 0.00 -0.22 0.00 0.00 54.13 54.19 3fzb s LEU 126 Cb -0.19 -2.48 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 3fzb s LEU 126 CO -0.04 -0.25 -0.23 0.42 -1.32 0.00 0.00 176.35 174.93 3fzb s THR 127 N 2.15 1.82 0.08 3.68 -4.23 -0.33 -1.09 115.64 117.72 3fzb s THR 127 Ca 0.16 -1.05 0.08 0.00 -1.18 0.00 0.00 61.69 59.70 3fzb s THR 127 Cb -0.16 -1.53 -0.03 0.00 1.34 0.00 0.00 72.50 72.12 3fzb s THR 127 CO 0.10 0.45 -0.22 -0.31 -0.54 0.00 0.00 174.62 174.10 3fzb s TYR 128 N -0.60 1.90 -0.25 3.99 2.02 -0.44 -1.29 117.35 122.67 3fzb s TYR 128 Ca 0.09 -0.40 -0.12 0.00 -0.37 0.00 0.00 57.07 56.27 3fzb s TYR 128 Cb -0.09 -1.08 -0.05 0.00 -0.40 0.00 0.00 41.96 40.34 3fzb s TYR 128 CO -0.00 0.17 0.25 0.08 -1.57 0.00 0.00 175.55 174.48 3fzb s VAL 129 N -0.98 5.28 0.12 0.71 1.01 0.41 0.16 120.40 127.11 3fzb s VAL 129 Ca 0.08 0.34 0.09 0.00 0.00 0.00 0.00 61.98 62.49 3fzb s VAL 129 Cb -0.10 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 3fzb s VAL 129 CO 0.03 0.26 -0.23 0.27 0.00 0.00 0.00 175.10 175.43 3fzb s ILE 130 N 1.54 1.93 -0.04 2.22 -4.36 0.50 -1.52 121.20 121.47 3fzb s ILE 130 Ca 0.11 -1.66 0.07 0.00 -0.26 0.00 0.00 60.65 58.90 3fzb s ILE 130 Cb -0.15 -1.75 -0.01 0.00 1.25 0.00 0.00 42.46 41.80 3fzb s ILE 130 CO 0.08 -0.03 -0.25 0.42 0.24 0.00 0.00 174.94 175.41 3fzb s THR 131 N -1.21 1.99 0.14 8.37 -4.23 -0.52 -1.26 115.64 118.92 3fzb s THR 131 Ca 0.10 -1.05 -0.04 0.00 -1.18 0.00 0.00 61.69 59.53 3fzb s THR 131 Cb -0.10 -1.67 0.01 0.00 1.34 0.00 0.00 72.50 72.09 3fzb s THR 131 CO 0.05 0.56 0.25 0.00 -0.54 0.00 0.00 174.62 174.93 3fzb n TYR 132 N 2.79 -1.22 -4.04 3.99 0.18 -0.75 -0.08 117.16 118.03 3fzb n TYR 132 Ca -0.17 -0.76 -0.26 0.00 1.88 0.00 0.00 57.90 58.60 3fzb n TYR 132 Cb 0.52 0.29 -0.17 0.00 -0.38 0.00 0.00 39.34 39.59 3fzb n TYR 132 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3fzb s GLU 133 N -2.14 1.44 0.00 -3.48 2.02 -1.26 0.32 118.70 115.59 3fzb s GLU 133 Ca 0.08 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.82 3fzb s GLU 133 Cb -0.01 -1.45 0.00 0.00 0.10 0.00 0.00 34.13 32.76 3fzb s GLU 133 CO 0.06 -0.20 0.41 -1.33 0.02 0.00 0.00 175.26 174.21