#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 1.51 0.12 -0.41 0.23 -1.26 -4.98 119.30 114.50 3fzb s MET 4 Ca 0.00 -1.80 -0.23 0.00 -1.03 0.00 0.00 55.69 52.63 3fzb s MET 4 Cb 0.00 -0.82 -0.05 0.00 -1.53 0.00 0.00 34.83 32.43 3fzb s MET 4 CO 0.00 -0.11 1.40 0.87 -2.03 0.00 0.00 175.02 175.15 3fzb h LYS 5 N 2.29 -0.02 -0.84 3.16 1.79 -1.92 0.23 116.57 121.26 3fzb h LYS 5 Ca -0.40 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.24 3fzb h LYS 5 Cb 1.23 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.79 3fzb h LYS 5 CO 0.67 -0.01 0.39 0.45 -1.08 0.00 0.00 179.45 179.87 3fzb h HIS 6 N -0.02 0.68 -0.47 -1.35 3.86 -1.97 0.48 115.15 116.36 3fzb h HIS 6 Ca 0.11 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 3fzb h HIS 6 Cb 0.31 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 3fzb h HIS 6 CO -0.98 0.11 0.18 1.15 0.86 0.00 0.00 177.93 179.24 3fzb h THR 7 N 0.53 1.21 -0.70 2.45 2.02 -1.26 -2.07 112.91 115.10 3fzb h THR 7 Ca 0.47 -0.66 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 3fzb h THR 7 Cb 0.73 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 3fzb h THR 7 CO -0.41 0.24 0.31 -0.33 0.37 0.00 0.00 175.52 175.71 3fzb h GLU 8 N 0.61 1.00 0.23 6.66 5.08 0.21 -0.42 114.58 127.95 3fzb h GLU 8 Ca 0.15 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3fzb h GLU 8 Cb 0.21 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3fzb h GLU 8 CO -0.01 0.79 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.61 3fzb h LEU 9 N 0.99 -0.26 -0.40 1.33 3.38 0.16 -1.00 115.31 119.50 3fzb h LEU 9 Ca 0.24 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3fzb h LEU 9 Cb 0.14 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3fzb h LEU 9 CO -0.03 -0.06 0.16 0.03 0.09 0.00 0.00 178.44 178.64 3fzb h ARG 10 N -0.46 0.60 -0.60 1.13 3.08 -1.25 -2.66 114.38 114.22 3fzb h ARG 10 Ca -0.03 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 59.92 3fzb h ARG 10 Cb 0.35 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 3fzb h ARG 10 CO 0.05 0.56 0.40 0.00 -1.07 0.00 0.00 179.97 179.91 3fzb h ALA 11 N 1.01 1.59 0.37 0.04 0.00 -1.04 0.76 119.26 121.99 3fzb h ALA 11 Ca 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3fzb h ALA 11 Cb 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3fzb h ALA 11 CO -0.01 0.38 -0.18 0.00 0.00 0.00 0.00 179.25 179.44 3fzb h ALA 12 N 1.63 -1.02 -0.63 0.00 0.00 -0.87 -0.73 119.26 117.63 3fzb h ALA 12 Ca 0.22 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.16 3fzb h ALA 12 Cb -0.07 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 17.80 3fzb h ALA 12 CO -0.05 -0.98 -0.11 0.28 0.00 0.00 0.00 179.25 178.39 3fzb h VAL 13 N -0.54 0.40 -0.31 0.00 2.07 -1.26 -1.97 116.25 114.63 3fzb h VAL 13 Ca -0.05 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.53 3fzb h VAL 13 Cb 0.38 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 3fzb h VAL 13 CO 0.08 0.01 -0.31 -0.07 0.02 0.00 0.00 177.57 177.30 3fzb h LEU 14 N 0.03 -1.02 -0.27 2.57 3.38 -0.76 -2.02 115.31 117.22 3fzb h LEU 14 Ca 0.31 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.52 3fzb h LEU 14 Cb 0.50 0.47 -0.08 0.00 0.09 0.00 0.00 40.66 41.64 3fzb h LEU 14 CO -0.62 -0.32 -0.29 0.44 0.09 0.00 0.00 178.44 177.73 3fzb h ASP 15 N -0.29 -0.94 -0.97 -0.43 3.32 -0.35 0.10 116.42 116.88 3fzb h ASP 15 Ca 0.15 0.16 0.16 0.00 0.02 0.00 0.00 57.03 57.52 3fzb h ASP 15 Cb 0.53 0.43 -0.09 0.00 0.22 0.00 0.00 39.33 40.42 3fzb h ASP 15 CO -0.47 -0.31 0.61 0.00 -1.72 0.00 0.00 179.24 177.34 3fzb h ALA 16 N 0.69 1.74 -0.09 3.45 0.00 -1.21 -0.69 119.26 123.14 3fzb h ALA 16 Ca 0.14 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 3fzb h ALA 16 Cb 0.51 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3fzb h ALA 16 CO -0.43 -0.04 -0.50 -0.07 0.00 0.00 0.00 179.25 178.21 3fzb h LEU 17 N 0.76 0.60 -0.23 0.00 3.38 -0.53 -3.33 115.31 115.96 3fzb h LEU 17 Ca 0.52 -0.65 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3fzb h LEU 17 Cb 0.79 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3fzb h LEU 17 CO -0.28 1.15 0.03 -0.33 0.09 0.00 0.00 178.44 179.10 3fzb h GLU 18 N 0.08 0.39 -6.40 1.13 5.08 -0.15 -3.35 114.58 111.36 3fzb h GLU 18 Ca -0.04 -0.11 -0.58 0.00 -1.00 0.00 0.00 59.36 57.63 3fzb h GLU 18 Cb 1.15 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 30.39 3fzb h GLU 18 CO 0.10 0.54 1.03 1.63 -1.00 0.00 0.00 179.01 181.31 3fzb n LYS 19 N -4.70 2.36 -0.96 2.33 4.76 -0.33 -4.06 118.16 117.56 3fzb n LYS 19 Ca -0.04 0.86 0.00 0.00 -2.87 0.00 0.00 58.31 56.26 3fzb n LYS 19 Cb 0.21 -2.71 0.00 0.00 -1.84 0.00 0.00 35.03 30.69 3fzb n LYS 19 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 3fzb n HIS 20 N 5.61 0.00 -2.68 2.13 1.44 -1.26 -4.94 115.22 115.53 3fzb n HIS 20 Ca 0.20 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.84 3fzb n HIS 20 Cb 0.32 -0.36 0.04 0.00 0.12 0.00 0.00 29.99 30.11 3fzb n HIS 20 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3fzb n THR 22 N -2.48 1.38 -1.50 0.61 -2.24 -1.26 -5.04 114.28 103.76 3fzb n THR 22 Ca 0.00 -3.22 -0.17 0.00 -2.27 0.00 0.00 64.05 58.38 3fzb n THR 22 Cb 0.06 0.69 -0.07 0.00 -2.10 0.00 0.00 70.33 68.91 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 -0.44 1.71 3.20 3.38 0.00 -1.26 -4.97 105.19 106.81 3fzb n GLY 23 Ca 0.13 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.64 1.15 -0.03 4.61 0.00 -1.26 -4.70 121.76 118.89 3fzb s ALA 24 Ca 0.00 -1.42 -0.20 0.00 0.00 0.00 0.00 51.96 50.33 3fzb s ALA 24 Cb 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 3fzb s ALA 24 CO 0.00 -0.22 0.58 0.99 0.00 0.00 0.00 175.76 177.11 3fzb s THR 25 N -3.56 4.98 -0.13 0.00 2.01 -0.89 -4.93 115.64 113.11 3fzb s THR 25 Ca 0.15 1.21 -0.07 0.00 0.31 0.00 0.00 61.69 63.28 3fzb s THR 25 Cb 0.05 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 3fzb s THR 25 CO -0.02 0.39 0.13 -0.36 -0.69 0.00 0.00 174.62 174.07 3fzb s PHE 26 N 0.03 3.55 -0.02 4.92 0.08 -1.26 -1.91 117.98 123.38 3fzb s PHE 26 Ca 0.31 0.48 0.07 0.00 0.12 0.00 0.00 56.93 57.91 3fzb s PHE 26 Cb -0.18 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.29 3fzb s PHE 26 CO 0.16 0.66 -0.24 -0.06 -0.10 0.00 0.00 175.22 175.64 3fzb s PHE 27 N -0.80 2.13 -0.87 0.36 0.40 0.94 -4.97 117.98 115.17 3fzb s PHE 27 Ca 0.14 -0.41 -0.10 0.00 -0.60 0.00 0.00 56.93 55.96 3fzb s PHE 27 Cb -0.12 -1.37 0.22 0.00 0.51 0.00 0.00 43.02 42.27 3fzb s PHE 27 CO 0.03 -0.04 0.79 0.34 0.70 0.00 0.00 175.22 177.04 3fzb s ASP 28 N -0.54 6.57 0.00 1.36 2.15 -1.26 -1.86 116.67 123.08 3fzb s ASP 28 Ca 0.09 -3.02 0.00 0.00 0.43 0.00 0.00 52.55 50.05 3fzb s ASP 28 Cb -0.09 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 3fzb s ASP 28 CO -0.01 -0.44 0.00 0.61 -0.17 0.00 0.00 175.17 175.16 3fzb n GLY 29 N 3.45 2.45 3.40 2.66 0.00 -0.89 -4.98 105.19 111.29 3fzb n GLY 29 Ca 0.16 -2.11 -0.44 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.88 3.08 0.34 1.61 3.52 -1.26 -4.46 118.95 119.89 3fzb s ARG 30 Ca 0.00 -1.14 -0.28 0.00 -0.13 0.00 0.00 55.73 54.18 3fzb s ARG 30 Cb 0.00 -4.21 -0.12 0.00 -1.56 0.00 0.00 34.95 29.05 3fzb s ARG 30 CO 0.00 -1.48 1.32 -0.35 -0.81 0.00 0.00 175.30 173.98 3fzb n PRO 31 N 6.44 2.17 0.06 5.12 -0.04 -1.26 -4.89 135.00 142.60 3fzb n PRO 31 Ca -0.08 0.76 0.12 0.00 -0.04 0.00 0.00 63.50 64.27 3fzb n PRO 31 Cb 0.44 -2.36 0.23 0.00 -0.04 0.00 0.00 33.50 31.77 3fzb n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fzb n ALA 32 N 0.46 2.85 -3.58 0.55 0.00 -1.26 -4.91 120.51 114.62 3fzb n ALA 32 Ca 0.05 -0.21 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 3fzb n ALA 32 Cb 0.36 -1.23 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 3fzb n ALA 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3fzb s VAL 33 N -3.13 0.00 0.23 0.00 -7.23 -1.26 -5.19 120.40 103.82 3fzb s VAL 33 Ca 0.08 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.25 3fzb s VAL 33 Cb 0.14 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 36.08 3fzb s VAL 33 CO 0.69 0.00 0.02 0.49 -0.31 0.00 0.00 175.10 175.99 3fzb n PHE 34 N 1.79 0.35 -4.46 2.82 3.01 -1.26 -5.15 117.46 114.55 3fzb n PHE 34 Ca -0.16 -1.10 -0.20 0.00 1.01 0.00 0.00 57.45 57.00 3fzb n PHE 34 Cb 0.56 -0.15 -0.04 0.00 -0.01 0.00 0.00 39.48 39.83 3fzb n PHE 34 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3fzb n ASP 35 N -1.22 2.67 0.08 4.37 8.00 -1.26 -4.99 116.55 124.20 3fzb n ASP 35 Ca -0.08 -2.42 -0.04 0.00 0.71 0.00 0.00 54.79 52.96 3fzb n ASP 35 Cb 0.28 0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 41.59 3fzb n ASP 35 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3fzb h GLU 36 N 0.00 0.00 0.00 -1.24 9.09 -2.02 -3.06 114.58 117.35 3fzb h GLU 36 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.15 3fzb h GLU 36 Cb 0.81 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.91 3fzb h GLU 36 CO 0.43 0.77 0.00 0.00 0.05 0.00 0.00 179.01 180.27 3fzb n ALA 37 N -2.33 1.27 -0.10 1.06 0.00 -1.26 -3.10 120.51 116.05 3fzb n ALA 37 Ca -0.01 0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.32 3fzb n ALA 37 Cb 0.88 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 19.08 3fzb n ALA 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fzb n ASP 38 N -1.76 1.86 -4.61 0.00 8.00 -1.16 -4.95 116.55 113.94 3fzb n ASP 38 Ca 0.01 0.48 -0.46 0.00 0.71 0.00 0.00 54.79 55.53 3fzb n ASP 38 Cb 0.08 -0.89 -0.02 0.00 -0.02 0.00 0.00 41.12 40.26 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 -4.48 1.52 -2.31 1.24 3.01 -1.18 -3.99 117.46 111.27 3fzb n PHE 39 Ca -0.24 0.64 -0.33 0.00 1.01 0.00 0.00 57.45 58.53 3fzb n PHE 39 Cb 0.54 -2.31 -0.02 0.00 -0.01 0.00 0.00 39.48 37.68 3fzb n PHE 39 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 3fzb s PRO 40 N -1.02 3.68 0.04 -1.08 0.02 -1.26 -4.91 135.00 130.47 3fzb s PRO 40 Ca 0.64 1.15 0.06 0.00 0.02 0.00 0.00 61.00 62.88 3fzb s PRO 40 Cb -0.73 -2.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.68 3fzb s PRO 40 CO 0.56 -0.51 -0.18 0.00 -0.33 0.00 0.00 177.00 176.54 3fzb s ALA 41 N -2.40 1.55 -0.04 -1.55 0.00 0.05 -2.10 121.76 117.28 3fzb s ALA 41 Ca 0.63 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.68 3fzb s ALA 41 Cb -0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 3fzb s ALA 41 CO 0.30 0.34 -0.17 0.14 0.00 0.00 0.00 175.76 176.37 3fzb s VAL 42 N -0.77 1.42 -0.01 0.00 -7.23 -0.80 0.95 120.40 113.97 3fzb s VAL 42 Ca 0.06 -0.72 0.01 0.00 -1.81 0.00 0.00 61.98 59.52 3fzb s VAL 42 Cb -0.08 -1.22 -0.00 0.00 0.56 0.00 0.00 36.38 35.64 3fzb s VAL 42 CO 0.01 0.41 -0.05 0.00 -0.31 0.00 0.00 175.10 175.16 3fzb s ALA 43 N -0.03 0.41 -0.18 1.32 0.00 -0.47 -0.04 121.76 122.77 3fzb s ALA 43 Ca -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.73 3fzb s ALA 43 Cb -0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 3fzb s ALA 43 CO 0.02 0.09 -0.11 0.14 0.00 0.00 0.00 175.76 175.89 3fzb s VAL 44 N -0.04 2.88 0.22 0.00 -7.23 -0.78 -1.02 120.40 114.44 3fzb s VAL 44 Ca 0.01 -0.68 -0.15 0.00 -1.81 0.00 0.00 61.98 59.35 3fzb s VAL 44 Cb -0.03 -2.26 0.01 0.00 0.56 0.00 0.00 36.38 34.66 3fzb s VAL 44 CO -0.00 0.48 0.51 -0.72 -0.31 0.00 0.00 175.10 175.06 3fzb s TYR 45 N 1.13 0.10 0.22 2.82 -0.85 -0.15 -2.09 117.35 118.53 3fzb s TYR 45 Ca 0.01 -0.47 0.09 0.00 -0.52 0.00 0.00 57.07 56.18 3fzb s TYR 45 Cb -0.14 0.31 -0.04 0.00 0.38 0.00 0.00 41.96 42.47 3fzb s TYR 45 CO -0.03 -0.97 -0.07 -0.51 -1.52 0.00 0.00 175.55 172.45 3fzb s LEU 46 N -2.94 3.02 -0.02 -3.49 1.43 -1.26 0.69 118.68 116.10 3fzb s LEU 46 Ca 0.15 -0.65 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 3fzb s LEU 46 Cb -0.01 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.61 3fzb s LEU 46 CO 0.03 0.06 0.31 0.42 0.23 0.00 0.00 176.35 177.40 3fzb s THR 47 N -2.03 0.05 -1.55 5.49 -4.23 -0.78 -4.91 115.64 107.69 3fzb s THR 47 Ca 0.28 -0.43 -0.04 0.00 -1.18 0.00 0.00 61.69 60.31 3fzb s THR 47 Cb -0.07 -0.60 0.00 0.00 1.34 0.00 0.00 72.50 73.17 3fzb s THR 47 CO 0.17 -0.24 0.54 0.61 -0.54 0.00 0.00 174.62 175.16 3fzb n GLY 48 N 1.42 -0.49 3.56 3.99 0.00 -1.26 -1.60 105.19 110.80 3fzb n GLY 48 Ca -0.21 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.16 1.83 0.36 4.61 0.00 -1.26 -4.51 121.76 119.64 3fzb s ALA 49 Ca 0.27 -1.38 0.08 0.00 0.00 0.00 0.00 51.96 50.93 3fzb s ALA 49 Cb -0.12 -4.50 -0.05 0.00 0.00 0.00 0.00 23.12 18.46 3fzb s ALA 49 CO 0.33 -4.56 0.14 -1.83 0.00 0.00 0.00 175.76 169.85 3fzb s GLU 50 N 6.89 2.30 0.14 0.00 -1.05 -0.50 -4.97 118.70 121.52 3fzb s GLU 50 Ca 0.68 -1.64 -0.05 0.00 -0.15 0.00 0.00 54.97 53.81 3fzb s GLU 50 Cb -0.07 -2.11 -0.06 0.00 -0.44 0.00 0.00 34.13 31.45 3fzb s GLU 50 CO 0.03 0.06 0.39 -0.47 0.95 0.00 0.00 175.26 176.22 3fzb s TYR 51 N -2.48 3.48 0.00 4.83 5.04 -1.26 -1.54 117.35 125.42 3fzb s TYR 51 Ca 0.38 0.59 0.00 0.00 -2.44 0.00 0.00 57.07 55.61 3fzb s TYR 51 Cb -0.01 -2.03 0.00 0.00 0.35 0.00 0.00 41.96 40.27 3fzb s TYR 51 CO 0.22 0.43 0.80 0.25 -1.34 0.00 0.00 175.55 175.91 3fzb n THR 52 N 0.12 0.00 0.00 4.34 -2.24 -0.78 -4.88 114.28 110.84 3fzb n THR 52 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3fzb n THR 52 Cb 0.52 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 0.00 0.28 7.00 3.38 0.00 -1.19 -4.82 105.19 109.84 3fzb n GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fzb n GLY 53 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3fzb n LEU 56 N 1.71 0.00 -3.25 0.99 -0.00 -1.26 -3.23 117.00 111.96 3fzb n LEU 56 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.96 3fzb n LEU 56 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 3fzb n LEU 56 CO 0.04 0.00 -0.00 -0.62 -0.00 0.00 0.00 177.39 176.81 3fzb s ASP 57 N -4.00 -0.47 0.32 1.45 2.15 -1.26 -5.15 116.67 109.70 3fzb s ASP 57 Ca 0.00 -0.58 -0.06 0.00 0.43 0.00 0.00 52.55 52.34 3fzb s ASP 57 Cb 0.00 1.46 0.02 0.00 -0.30 0.00 0.00 42.92 44.11 3fzb s ASP 57 CO 0.00 -0.27 0.52 -1.54 -0.17 0.00 0.00 175.17 173.70 3fzb n SER 58 N 4.91 -1.47 -1.17 -0.34 3.41 -1.20 -5.05 113.62 112.71 3fzb n SER 58 Ca 0.06 -2.53 0.09 0.00 -0.26 0.00 0.00 58.87 56.23 3fzb n SER 58 Cb 0.52 2.60 0.28 0.00 -0.26 0.00 0.00 64.21 67.34 3fzb n SER 58 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3fzb n ASP 59 N -1.60 3.91 -4.77 4.04 10.43 -1.26 -3.86 116.55 123.44 3fzb n ASP 59 Ca -0.02 -2.24 -0.41 0.00 2.57 0.00 0.00 54.79 54.69 3fzb n ASP 59 Cb 0.51 -0.45 -0.01 0.00 1.84 0.00 0.00 41.12 43.01 3fzb n ASP 59 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 3fzb s THR 60 N -1.44 2.46 0.07 -3.53 -1.32 -1.26 -4.29 115.64 106.33 3fzb s THR 60 Ca 0.41 0.46 0.07 0.00 -1.21 0.00 0.00 61.69 61.42 3fzb s THR 60 Cb 0.25 -3.29 -0.03 0.00 -1.51 0.00 0.00 72.50 67.92 3fzb s THR 60 CO 0.23 0.11 -0.18 0.26 -2.21 0.00 0.00 174.62 172.83 3fzb s TRP 61 N -1.10 1.54 -0.03 9.09 0.52 0.22 -1.87 118.94 127.31 3fzb s TRP 61 Ca 0.51 -0.41 0.04 0.00 0.02 0.00 0.00 56.10 56.26 3fzb s TRP 61 Cb -0.42 -0.87 -0.01 0.00 -1.15 0.00 0.00 33.47 31.02 3fzb s TRP 61 CO 0.57 0.12 -0.16 -1.14 0.02 0.00 0.00 176.95 176.36 3fzb s GLN 62 N -1.61 1.49 0.15 4.98 0.74 -0.59 -0.75 119.66 124.08 3fzb s GLN 62 Ca 0.03 -0.55 -0.05 0.00 0.05 0.00 0.00 55.36 54.84 3fzb s GLN 62 Cb -0.09 -1.35 -0.02 0.00 1.10 0.00 0.00 33.01 32.64 3fzb s GLN 62 CO 0.03 0.26 0.17 0.00 -0.55 0.00 0.00 175.29 175.20 3fzb s ALA 63 N -0.08 0.46 -0.27 1.58 0.00 -0.56 -1.41 121.76 121.47 3fzb s ALA 63 Ca -0.00 -1.20 -0.07 0.00 0.00 0.00 0.00 51.96 50.69 3fzb s ALA 63 Cb -0.09 0.90 -0.00 0.00 0.00 0.00 0.00 23.12 23.92 3fzb s ALA 63 CO 0.01 -0.57 0.07 -2.00 0.00 0.00 0.00 175.76 173.26 3fzb s GLU 64 N -4.02 3.30 0.05 0.00 2.12 -0.63 -1.33 118.70 118.19 3fzb s GLU 64 Ca 0.22 -0.71 -0.22 0.00 0.36 0.00 0.00 54.97 54.62 3fzb s GLU 64 Cb 0.05 -3.33 -0.06 0.00 0.26 0.00 0.00 34.13 31.06 3fzb s GLU 64 CO 0.02 -0.34 0.65 -1.17 -0.54 0.00 0.00 175.26 173.88 3fzb s LEU 65 N 1.54 4.47 0.01 2.70 2.96 0.21 -1.87 118.68 128.70 3fzb s LEU 65 Ca 0.04 1.31 0.06 0.00 -0.22 0.00 0.00 54.13 55.32 3fzb s LEU 65 Cb -0.16 -3.03 -0.02 0.00 0.50 0.00 0.00 46.19 43.48 3fzb s LEU 65 CO 0.02 0.14 -0.19 -1.00 -1.32 0.00 0.00 176.35 174.00 3fzb s HIS 66 N -0.50 1.72 -0.31 5.38 3.76 0.22 -1.10 115.29 124.46 3fzb s HIS 66 Ca 0.33 -0.34 -0.02 0.00 -0.15 0.00 0.00 55.06 54.87 3fzb s HIS 66 Cb -0.20 -1.08 0.10 0.00 1.11 0.00 0.00 32.58 32.52 3fzb s HIS 66 CO 0.20 0.02 0.12 0.42 -0.85 0.00 0.00 174.74 174.65 3fzb s ILE 67 N -0.60 0.41 -0.17 0.60 1.01 -0.41 -0.98 121.20 121.07 3fzb s ILE 67 Ca 0.07 -1.15 -0.03 0.00 0.00 0.00 0.00 60.65 59.54 3fzb s ILE 67 Cb -0.08 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 3fzb s ILE 67 CO 0.00 -0.72 -0.06 -0.70 0.00 0.00 0.00 174.94 173.46 3fzb s GLU 68 N 1.78 3.53 -0.24 2.79 2.12 -0.19 -1.99 118.70 126.50 3fzb s GLU 68 Ca 0.10 -0.58 -0.10 0.00 0.36 0.00 0.00 54.97 54.75 3fzb s GLU 68 Cb -0.17 -2.89 -0.05 0.00 0.26 0.00 0.00 34.13 31.28 3fzb s GLU 68 CO -0.29 0.10 0.14 0.54 -0.54 0.00 0.00 175.26 175.22 3fzb s VAL 69 N 0.70 5.17 -0.17 3.70 0.11 -0.65 -1.37 120.40 127.89 3fzb s VAL 69 Ca -0.03 0.11 -0.02 0.00 -2.93 0.00 0.00 61.98 59.11 3fzb s VAL 69 Cb -0.15 -3.41 -0.01 0.00 -1.53 0.00 0.00 36.38 31.28 3fzb s VAL 69 CO 0.02 0.34 -0.08 -0.36 -3.33 0.00 0.00 175.10 171.70 3fzb s PHE 70 N 1.16 2.91 -0.01 1.54 0.40 0.27 -2.10 117.98 122.15 3fzb s PHE 70 Ca 0.07 -0.69 0.04 0.00 -0.60 0.00 0.00 56.93 55.74 3fzb s PHE 70 Cb -0.14 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 3fzb s PHE 70 CO 0.05 -0.31 -0.12 -0.51 0.70 0.00 0.00 175.22 175.03 3fzb s LEU 71 N 0.80 2.88 0.35 -0.37 1.43 -0.60 -0.77 118.68 122.39 3fzb s LEU 71 Ca -0.03 -0.22 -0.25 0.00 -1.03 0.00 0.00 54.13 52.61 3fzb s LEU 71 Cb -0.15 -1.64 -0.10 0.00 0.03 0.00 0.00 46.19 44.33 3fzb s LEU 71 CO 0.01 0.31 0.95 -2.16 0.23 0.00 0.00 176.35 175.70 3fzb s PRO 72 N -1.10 4.48 1.16 1.29 0.04 -1.26 -0.49 135.00 139.11 3fzb s PRO 72 Ca 0.14 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.48 3fzb s PRO 72 Cb -0.11 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.77 3fzb s PRO 72 CO 0.04 0.19 0.00 0.00 0.04 0.00 0.00 177.00 177.27 3fzb n ALA 73 N 0.28 0.00 -2.02 8.56 0.00 0.12 -4.54 120.51 122.91 3fzb n ALA 73 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 3fzb n ALA 73 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.95 3fzb n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fzb n GLN 74 N -0.00 4.05 -2.63 0.00 0.00 -1.26 -3.84 117.38 113.70 3fzb n GLN 74 Ca 0.00 -3.29 -0.40 0.00 0.00 0.00 0.00 57.00 53.30 3fzb n GLN 74 Cb 0.00 -2.79 -0.05 0.00 0.00 0.00 0.00 30.24 27.40 3fzb n GLN 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 3fzb s VAL 75 N 0.01 3.87 0.62 -0.39 -7.23 -1.26 -5.01 120.40 111.01 3fzb s VAL 75 Ca 0.50 1.83 -0.18 0.00 -1.81 0.00 0.00 61.98 62.33 3fzb s VAL 75 Cb 0.15 -4.17 -0.02 0.00 0.56 0.00 0.00 36.38 32.90 3fzb s VAL 75 CO -0.06 0.41 1.20 -2.16 -0.31 0.00 0.00 175.10 174.19 3fzb s PRO 76 N -1.11 2.86 0.29 4.82 0.04 -1.26 -4.88 135.00 135.76 3fzb s PRO 76 Ca 0.43 1.77 0.03 0.00 0.04 0.00 0.00 61.00 63.28 3fzb s PRO 76 Cb -0.28 -1.92 0.65 0.00 0.04 0.00 0.00 34.50 32.99 3fzb s PRO 76 CO 0.35 -1.28 1.78 -0.44 0.04 0.00 0.00 177.00 177.45 3fzb h ASP 77 N 0.67 0.71 -0.95 6.66 3.32 -1.98 -0.57 116.42 124.27 3fzb h ASP 77 Ca -0.50 0.09 0.22 0.00 0.02 0.00 0.00 57.03 56.87 3fzb h ASP 77 Cb 1.29 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.74 3fzb h ASP 77 CO 0.54 0.28 0.63 0.77 -1.72 0.00 0.00 179.24 179.73 3fzb h SER 78 N 0.74 0.42 0.54 6.45 4.64 -1.99 0.55 113.55 124.89 3fzb h SER 78 Ca 0.53 0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.78 3fzb h SER 78 Cb 0.78 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 3fzb h SER 78 CO -0.37 0.14 -0.56 -0.08 -0.87 0.00 0.00 176.83 175.09 3fzb h GLU 79 N 0.41 0.03 -0.08 4.77 4.81 -1.45 -2.34 114.58 120.72 3fzb h GLU 79 Ca 0.51 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.59 3fzb h GLU 79 Cb 1.28 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.67 3fzb h GLU 79 CO -0.21 0.58 -0.45 -0.07 -0.73 0.00 0.00 179.01 178.14 3fzb h LEU 80 N 0.02 0.54 -0.94 1.64 3.38 0.01 -2.46 115.31 117.51 3fzb h LEU 80 Ca -0.00 -0.65 0.15 0.00 0.09 0.00 0.00 57.88 57.46 3fzb h LEU 80 Cb 1.00 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.50 3fzb h LEU 80 CO 0.07 1.11 0.55 0.44 0.09 0.00 0.00 178.44 180.70 3fzb h ASP 81 N 0.01 0.72 0.63 -0.43 3.32 -0.92 0.13 116.42 119.88 3fzb h ASP 81 Ca -0.03 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3fzb h ASP 81 Cb 1.10 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 3fzb h ASP 81 CO 0.09 0.32 -0.40 0.00 -1.72 0.00 0.00 179.24 177.53 3fzb h ALA 82 N 1.57 -1.01 -0.59 3.45 0.00 -1.31 -0.38 119.26 120.98 3fzb h ALA 82 Ca 0.51 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.31 3fzb h ALA 82 Cb 0.67 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 3fzb h ALA 82 CO -0.34 -1.09 0.23 2.35 0.00 0.00 0.00 179.25 180.40 3fzb h TRP 83 N -0.98 0.40 0.96 0.00 7.01 -0.83 -2.18 115.95 120.33 3fzb h TRP 83 Ca -0.08 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 60.90 3fzb h TRP 83 Cb 0.80 -0.09 0.01 0.00 -2.10 0.00 0.00 29.16 27.78 3fzb h TRP 83 CO -0.11 0.11 -0.46 1.98 -2.79 0.00 0.00 178.44 177.17 3fzb h MET 84 N 0.41 -1.25 0.00 2.65 4.05 -0.58 -0.59 114.93 119.62 3fzb h MET 84 Ca 0.30 0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.80 3fzb h MET 84 Cb 0.35 0.28 0.00 0.00 -0.80 0.00 0.00 31.60 31.43 3fzb h MET 84 CO -0.29 -0.83 0.00 0.39 0.23 0.00 0.00 176.91 176.41 3fzb n GLU 85 N -5.64 0.16 -0.02 0.39 4.71 -0.17 -1.13 120.64 118.94 3fzb n GLU 85 Ca -0.16 0.53 -0.02 0.00 -0.01 0.00 0.00 57.16 57.50 3fzb n GLU 85 Cb 0.51 -1.90 -0.01 0.00 -1.01 0.00 0.00 31.44 29.03 3fzb n GLU 85 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3fzb n SER 86 N -2.22 0.51 0.11 1.62 2.88 -0.83 -4.45 113.62 111.25 3fzb n SER 86 Ca 0.00 0.27 0.12 0.00 -1.33 0.00 0.00 58.87 57.93 3fzb n SER 86 Cb 0.12 -0.59 0.16 0.00 -0.75 0.00 0.00 64.21 63.16 3fzb n SER 86 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3fzb h ARG 87 N -0.28 0.00 0.00 -1.46 3.08 -1.19 -3.41 114.38 111.13 3fzb h ARG 87 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3fzb h ARG 87 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3fzb h ARG 87 CO 0.00 0.00 -0.09 -0.89 -1.07 0.00 0.00 179.97 177.92 3fzb n ILE 88 N -2.50 0.14 -0.06 2.04 2.08 -0.28 -4.62 119.36 116.16 3fzb n ILE 88 Ca 0.03 0.46 -0.01 0.00 0.56 0.00 0.00 62.75 63.78 3fzb n ILE 88 Cb 0.49 -1.57 -0.01 0.00 -0.75 0.00 0.00 39.64 37.79 3fzb n ILE 88 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 3fzb n TYR 89 N -2.68 -0.06 -0.25 1.39 4.01 -0.74 -1.35 117.16 117.48 3fzb n TYR 89 Ca -0.01 0.16 0.03 0.00 -0.16 0.00 0.00 57.90 57.93 3fzb n TYR 89 Cb 0.05 -0.44 0.08 0.00 -0.31 0.00 0.00 39.34 38.72 3fzb n TYR 89 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3fzb n PRO 90 N -3.18 -0.08 -0.06 -0.72 -0.04 -1.26 0.27 135.00 129.92 3fzb n PRO 90 Ca 0.00 1.06 -0.08 0.00 -0.04 0.00 0.00 63.50 64.44 3fzb n PRO 90 Cb 0.03 -1.57 -0.01 0.00 -0.04 0.00 0.00 33.50 31.91 3fzb n PRO 90 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3fzb h VAL 91 N 0.00 0.89 -0.68 0.52 2.07 -1.47 -2.89 116.25 114.69 3fzb h VAL 91 Ca 0.31 -0.05 0.20 0.00 0.82 0.00 0.00 66.70 67.97 3fzb h VAL 91 Cb 0.48 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3fzb h VAL 91 CO -0.69 0.03 0.54 0.24 0.02 0.00 0.00 177.57 177.70 3fzb h MET 92 N 0.15 0.00 -0.87 1.57 2.86 -0.05 -2.69 114.93 115.92 3fzb h MET 92 Ca 0.12 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.81 3fzb h MET 92 Cb 0.11 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.72 3fzb h MET 92 CO -0.15 0.00 0.57 0.66 1.06 0.00 0.00 176.91 179.05 3fzb h SER 93 N 0.00 0.89 -3.30 1.22 4.64 -1.45 -3.37 113.55 112.18 3fzb h SER 93 Ca 0.32 -0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 61.03 3fzb h SER 93 Cb 1.39 -0.19 -0.40 0.00 -0.31 0.00 0.00 62.40 62.89 3fzb h SER 93 CO -0.00 0.59 -0.75 -0.62 -0.87 0.00 0.00 176.83 175.17 3fzb s ASP 94 N -6.10 3.49 -0.55 4.97 2.15 -1.01 -5.00 116.67 114.62 3fzb s ASP 94 Ca -0.11 -2.73 0.06 0.00 0.43 0.00 0.00 52.55 50.20 3fzb s ASP 94 Cb 0.19 -0.98 0.23 0.00 -0.30 0.00 0.00 42.92 42.06 3fzb s ASP 94 CO 0.79 -0.25 0.59 -0.38 -0.17 0.00 0.00 175.17 175.76 3fzb n ILE 95 N 3.40 0.94 -0.32 4.11 5.41 -1.26 -4.97 119.36 126.66 3fzb n ILE 95 Ca 0.12 -4.60 0.10 0.00 1.00 0.00 0.00 62.75 59.37 3fzb n ILE 95 Cb 0.36 -2.02 0.27 0.00 -0.71 0.00 0.00 39.64 37.54 3fzb n ILE 95 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3fzb h PRO 96 N 4.52 0.63 -0.37 0.38 0.13 -1.97 -1.68 132.00 133.64 3fzb h PRO 96 Ca 0.16 -0.04 0.07 0.00 -0.87 0.00 0.00 66.00 65.32 3fzb h PRO 96 Cb 0.77 -0.14 -0.06 0.00 0.13 0.00 0.00 31.00 31.70 3fzb h PRO 96 CO 0.65 0.41 -0.01 0.00 -0.23 0.00 0.00 178.00 178.82 3fzb h ALA 97 N 1.61 0.32 -0.44 -0.56 0.00 -1.96 0.29 119.26 118.52 3fzb h ALA 97 Ca 0.52 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.52 3fzb h ALA 97 Cb 0.79 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3fzb h ALA 97 CO -0.39 -0.41 0.22 1.25 0.00 0.00 0.00 179.25 179.92 3fzb h LEU 98 N 0.08 0.57 -0.89 0.00 5.85 -1.73 -2.79 115.31 116.40 3fzb h LEU 98 Ca 0.18 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.84 3fzb h LEU 98 Cb 0.25 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.08 3fzb h LEU 98 CO -0.31 0.53 0.56 -1.28 -0.34 0.00 0.00 178.44 177.60 3fzb h SER 99 N 0.56 0.89 -0.17 1.25 0.87 -0.27 -1.09 113.55 115.59 3fzb h SER 99 Ca 0.15 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.77 3fzb h SER 99 Cb 0.11 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3fzb h SER 99 CO -0.02 0.58 0.19 0.44 -0.53 0.00 0.00 176.83 177.49 3fzb h ASP 100 N 1.03 0.00 0.68 6.23 3.32 -0.20 -3.00 116.42 124.48 3fzb h ASP 100 Ca 0.39 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.25 3fzb h ASP 100 Cb 0.15 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3fzb h ASP 100 CO -0.17 0.00 -1.44 -0.07 -1.72 0.00 0.00 179.24 175.84 3fzb h LEU 101 N 0.00 0.00-10.18 1.55 3.38 -1.18 -3.49 115.31 105.38 3fzb h LEU 101 Ca 0.08 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.56 3fzb h LEU 101 Cb 0.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3fzb h LEU 101 CO -0.00 0.65 -0.37 0.27 0.09 0.00 0.00 178.44 179.07 3fzb s ILE 102 N -2.87 2.74 -1.40 1.22 -5.25 -1.14 -4.63 121.20 109.88 3fzb s ILE 102 Ca -0.03 -1.32 0.14 0.00 -0.99 0.00 0.00 60.65 58.45 3fzb s ILE 102 Cb 0.09 -3.01 0.03 0.00 2.95 0.00 0.00 42.46 42.52 3fzb s ILE 102 CO 0.81 -0.01 0.82 0.35 -1.79 0.00 0.00 174.94 175.12 3fzb n THR 103 N -1.56 0.00 -3.64 8.37 -2.24 0.21 -4.95 114.28 110.47 3fzb n THR 103 Ca 0.04 -0.40 -0.03 0.00 -2.27 0.00 0.00 64.05 61.38 3fzb n THR 103 Cb 0.61 1.20 -0.05 0.00 -2.10 0.00 0.00 70.33 69.99 3fzb n THR 103 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3fzb s SER 104 N -1.51 -0.08 0.06 3.42 1.04 -1.19 -4.90 113.70 110.54 3fzb s SER 104 Ca 0.13 0.11 -0.06 0.00 0.48 0.00 0.00 55.95 56.61 3fzb s SER 104 Cb 0.11 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 3fzb s SER 104 CO 0.29 -0.06 0.11 -0.32 0.98 0.00 0.00 173.24 174.24 3fzb s MET 105 N -0.70 0.68 -0.26 4.02 1.75 -1.26 -1.65 119.30 121.88 3fzb s MET 105 Ca 0.07 -0.90 -0.27 0.00 -1.25 0.00 0.00 55.69 53.35 3fzb s MET 105 Cb -0.02 0.27 0.16 0.00 2.84 0.00 0.00 34.83 38.08 3fzb s MET 105 CO -0.09 -0.18 1.23 0.54 -0.65 0.00 0.00 175.02 175.87 3fzb s VAL 106 N -3.24 0.00 0.31 10.11 0.11 -0.94 -4.96 120.40 121.80 3fzb s VAL 106 Ca 0.00 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 3fzb s VAL 106 Cb 0.02 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.76 3fzb s VAL 106 CO -0.08 0.00 1.53 0.00 -3.33 0.00 0.00 175.10 173.23 3fzb s ALA 107 N -0.39 3.67 0.00 1.54 0.00 -1.26 -1.11 121.76 124.21 3fzb s ALA 107 Ca 0.05 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.54 3fzb s ALA 107 Cb -0.03 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3fzb s ALA 107 CO -0.08 -0.96 0.00 0.45 0.00 0.00 0.00 175.76 175.16 3fzb n SER 108 N 1.62 0.00 -2.31 0.00 2.88 0.07 -4.71 113.62 111.16 3fzb n SER 108 Ca 0.05 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.51 3fzb n SER 108 Cb 0.38 -0.13 -0.01 0.00 -0.75 0.00 0.00 64.21 63.71 3fzb n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fzb n GLY 109 N 2.66 2.03 2.60 0.46 0.00 -1.16 -5.00 105.19 106.78 3fzb n GLY 109 Ca 0.00 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.35 3fzb n GLY 109 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3fzb s TYR 110 N -3.87 0.19 0.10 1.61 5.04 -1.26 -1.37 117.35 117.79 3fzb s TYR 110 Ca 0.17 -0.40 0.09 0.00 -2.44 0.00 0.00 57.07 54.49 3fzb s TYR 110 Cb -0.02 -0.72 -0.04 0.00 0.35 0.00 0.00 41.96 41.54 3fzb s TYR 110 CO 0.12 -0.58 -0.20 -0.51 -1.34 0.00 0.00 175.55 173.05 3fzb s ASP 111 N 2.14 3.75 -0.12 4.32 1.01 0.55 -4.94 116.67 123.38 3fzb s ASP 111 Ca 0.04 -0.57 -0.02 0.00 0.71 0.00 0.00 52.55 52.71 3fzb s ASP 111 Cb -0.16 -0.49 -0.03 0.00 1.01 0.00 0.00 42.92 43.25 3fzb s ASP 111 CO -0.15 0.20 -0.05 -0.31 0.21 0.00 0.00 175.17 175.07 3fzb s TYR 112 N -1.07 2.99 0.23 4.23 1.51 -1.26 0.11 117.35 124.08 3fzb s TYR 112 Ca 0.16 -0.21 0.02 0.00 -1.01 0.00 0.00 57.07 56.03 3fzb s TYR 112 Cb -0.10 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.83 3fzb s TYR 112 CO 0.08 0.08 0.05 1.03 -1.11 0.00 0.00 175.55 175.68 3fzb s ARG 113 N -0.04 1.30 0.31 -0.62 0.52 -0.82 -4.99 118.95 114.62 3fzb s ARG 113 Ca 0.01 -1.68 -0.09 0.00 -0.52 0.00 0.00 55.73 53.45 3fzb s ARG 113 Cb -0.13 -0.31 0.01 0.00 0.52 0.00 0.00 34.95 35.03 3fzb s ARG 113 CO 0.03 -0.21 0.52 1.03 0.02 0.00 0.00 175.30 176.69 3fzb s ARG 114 N -3.97 1.79 -1.13 3.54 3.00 -1.26 -0.09 118.95 120.84 3fzb s ARG 114 Ca 0.32 -1.48 -0.18 0.00 0.00 0.00 0.00 55.73 54.38 3fzb s ARG 114 Cb 0.07 0.48 0.10 0.00 0.00 0.00 0.00 34.95 35.60 3fzb s ARG 114 CO 0.10 -0.76 1.46 0.34 0.00 0.00 0.00 175.30 176.44 3fzb s ASP 115 N -3.11 6.76 0.38 0.23 2.15 -1.11 -4.82 116.67 117.14 3fzb s ASP 115 Ca 0.25 -2.23 0.14 0.00 0.43 0.00 0.00 52.55 51.14 3fzb s ASP 115 Cb -0.01 -2.50 0.77 0.00 -0.30 0.00 0.00 42.92 40.88 3fzb s ASP 115 CO 0.14 -1.14 1.34 -2.24 -0.17 0.00 0.00 175.17 173.10 3fzb h ASP 116 N 8.33 0.00 0.00 -0.34 -0.00 -1.97 0.90 116.42 123.33 3fzb h ASP 116 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.32 3fzb h ASP 116 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.27 3fzb h ASP 116 CO 1.33 0.00 0.00 -0.90 -0.00 0.00 0.00 179.24 179.67 3fzb n ASP 117 N -2.15 0.00 -0.02 4.15 3.85 -1.26 -4.78 116.55 116.33 3fzb n ASP 117 Ca -0.01 0.00 0.10 0.00 -0.71 0.00 0.00 54.79 54.18 3fzb n ASP 117 Cb 0.37 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.10 3fzb n ASP 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3fzb n ALA 118 N -1.39 4.47 -1.89 2.12 0.00 -1.23 -4.97 120.51 117.63 3fzb n ALA 118 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3fzb n ALA 118 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.50 0.60 0.00 0.00 0.00 0.31 -5.01 105.19 102.58 3fzb n GLY 119 Ca 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3fzb n GLY 119 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3fzb n LEU 120 N -0.08 0.00 0.00 0.99 -0.00 -1.26 -4.49 117.00 112.16 3fzb n LEU 120 Ca 0.00 0.23 -0.22 0.00 -0.00 0.00 0.00 56.01 56.03 3fzb n LEU 120 Cb 0.45 0.00 0.13 0.00 -0.00 0.00 0.00 43.42 44.00 3fzb n LEU 120 CO 0.00 0.00 0.57 -2.67 -0.00 0.00 0.00 177.39 175.29 3fzb n TRP 121 N -0.27 -3.32 -3.84 1.47 4.27 -1.26 0.15 117.44 114.64 3fzb n TRP 121 Ca 0.00 -1.36 -0.12 0.00 -3.89 0.00 0.00 57.50 52.14 3fzb n TRP 121 Cb 0.00 -0.71 -0.09 0.00 -1.36 0.00 0.00 31.31 29.15 3fzb n TRP 121 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 3fzb s SER 122 N -4.72 -0.03 0.23 -0.67 0.15 0.36 -2.75 113.70 106.27 3fzb s SER 122 Ca 0.59 -0.14 -0.16 0.00 0.70 0.00 0.00 55.95 56.95 3fzb s SER 122 Cb -0.03 0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.53 3fzb s SER 122 CO 0.40 -0.41 0.52 -0.94 1.20 0.00 0.00 173.24 174.01 3fzb s SER 123 N -1.43 -0.17 -0.08 5.45 1.04 0.88 -1.56 113.70 117.82 3fzb s SER 123 Ca -0.14 -0.71 -0.01 0.00 0.48 0.00 0.00 55.95 55.57 3fzb s SER 123 Cb -0.06 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.68 3fzb s SER 123 CO 0.02 -1.12 -0.02 0.00 0.98 0.00 0.00 173.24 173.10 3fzb s ALA 124 N -3.95 0.86 -0.28 5.32 0.00 -0.89 -1.94 121.76 120.88 3fzb s ALA 124 Ca 0.15 -0.23 -0.06 0.00 0.00 0.00 0.00 51.96 51.82 3fzb s ALA 124 Cb -0.01 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.33 3fzb s ALA 124 CO 0.04 -0.44 0.05 0.34 0.00 0.00 0.00 175.76 175.75 3fzb s ASP 125 N 1.89 4.97 -0.18 0.00 2.15 0.30 -1.64 116.67 124.16 3fzb s ASP 125 Ca 0.05 -0.72 -0.12 0.00 0.43 0.00 0.00 52.55 52.19 3fzb s ASP 125 Cb -0.12 -1.84 -0.05 0.00 -0.30 0.00 0.00 42.92 40.61 3fzb s ASP 125 CO -0.06 -0.17 0.22 -0.22 -0.17 0.00 0.00 175.17 174.77 3fzb s LEU 126 N 1.47 4.22 0.09 -1.34 2.96 -0.84 -0.33 118.68 124.91 3fzb s LEU 126 Ca 0.02 0.37 0.06 0.00 -0.22 0.00 0.00 54.13 54.36 3fzb s LEU 126 Cb -0.17 -2.24 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 3fzb s LEU 126 CO 0.01 0.13 -0.17 0.42 -1.32 0.00 0.00 176.35 175.42 3fzb s THR 127 N 0.47 1.37 0.02 3.68 -4.23 -0.47 -1.29 115.64 115.19 3fzb s THR 127 Ca 0.12 -1.47 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 3fzb s THR 127 Cb -0.12 -1.33 -0.02 0.00 1.34 0.00 0.00 72.50 72.38 3fzb s THR 127 CO 0.01 -0.20 -0.05 -0.31 -0.54 0.00 0.00 174.62 173.53 3fzb s TYR 128 N -1.39 0.47 -0.17 3.99 1.51 -0.26 -0.76 117.35 120.74 3fzb s TYR 128 Ca 0.03 -0.37 -0.12 0.00 -1.01 0.00 0.00 57.07 55.60 3fzb s TYR 128 Cb -0.09 -0.29 -0.05 0.00 -0.11 0.00 0.00 41.96 41.42 3fzb s TYR 128 CO 0.03 -0.08 0.22 0.08 -1.11 0.00 0.00 175.55 174.69 3fzb s VAL 129 N -0.99 5.35 0.16 0.71 1.01 -0.27 0.67 120.40 127.05 3fzb s VAL 129 Ca -0.08 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.34 3fzb s VAL 129 Cb -0.07 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 3fzb s VAL 129 CO -0.00 0.43 -0.09 0.27 0.00 0.00 0.00 175.10 175.72 3fzb s ILE 130 N 0.26 1.16 0.05 2.22 -4.36 -0.44 -2.21 121.20 117.88 3fzb s ILE 130 Ca 0.13 -2.06 0.03 0.00 -0.26 0.00 0.00 60.65 58.49 3fzb s ILE 130 Cb -0.12 -1.94 -0.03 0.00 1.25 0.00 0.00 42.46 41.63 3fzb s ILE 130 CO 0.02 -0.67 -0.10 0.42 0.24 0.00 0.00 174.94 174.84 3fzb s THR 131 N -3.34 0.77 0.16 8.37 -4.23 -0.66 -1.49 115.64 115.22 3fzb s THR 131 Ca 0.19 -1.13 -0.23 0.00 -1.18 0.00 0.00 61.69 59.34 3fzb s THR 131 Cb 0.03 -0.79 0.08 0.00 1.34 0.00 0.00 72.50 73.16 3fzb s THR 131 CO 0.02 -0.29 1.07 -0.72 -0.54 0.00 0.00 174.62 174.15 3fzb s TYR 132 N -1.28 0.06 0.09 3.99 -0.85 0.07 0.65 117.35 120.08 3fzb s TYR 132 Ca -0.06 -0.43 0.10 0.00 -0.52 0.00 0.00 57.07 56.16 3fzb s TYR 132 Cb -0.10 0.68 -0.04 0.00 0.38 0.00 0.00 41.96 42.89 3fzb s TYR 132 CO 0.01 -0.85 -0.25 -1.21 -1.52 0.00 0.00 175.55 171.74 3fzb s GLU 133 N -2.18 1.66 0.00 -3.49 2.02 -1.26 0.71 118.70 116.15 3fzb s GLU 133 Ca 0.22 -1.21 0.22 0.00 0.02 0.00 0.00 54.97 54.22 3fzb s GLU 133 Cb -0.02 -1.98 1.30 0.00 0.10 0.00 0.00 34.13 33.52 3fzb s GLU 133 CO 0.04 0.48 1.68 -1.33 0.02 0.00 0.00 175.26 176.16