#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fzr h GLY 18 N 0.00 0.56 0.75 0.46 0.00 -2.06 -1.64 103.07 101.14 1fzr h GLY 18 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.14 1fzr h GLY 18 CO 0.00 0.23 0.35 -2.00 0.00 0.00 0.00 176.54 175.12 1fzr h LEU 19 N 0.50 0.54 -1.16 3.11 5.85 -2.05 -1.54 115.31 120.56 1fzr h LEU 19 Ca 0.14 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1fzr h LEU 19 Cb 0.01 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1fzr h LEU 19 CO -0.03 0.36 0.20 -0.08 -0.34 0.00 0.00 178.44 178.56 1fzr h GLU 20 N 0.67 0.79 -0.50 1.25 4.81 -1.93 -0.33 114.58 119.35 1fzr h GLU 20 Ca 0.27 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 1fzr h GLU 20 Cb 0.12 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1fzr h GLU 20 CO -0.15 0.66 -0.14 -0.44 -0.73 0.00 0.00 179.01 178.21 1fzr h ASP 21 N 0.78 0.95 -0.37 1.04 3.32 -0.37 -0.56 116.42 121.21 1fzr h ASP 21 Ca 0.18 -0.32 -0.16 0.00 0.02 0.00 0.00 57.03 56.76 1fzr h ASP 21 Cb 0.18 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1fzr h ASP 21 CO -0.01 1.08 -0.39 0.11 -1.72 0.00 0.00 179.24 178.31 1fzr h LYS 22 N 0.84 0.92 -0.33 3.56 1.57 -0.84 -1.42 116.57 120.87 1fzr h LYS 22 Ca 0.13 -0.49 -0.02 0.00 -1.87 0.00 0.00 60.65 58.39 1fzr h LYS 22 Cb 0.68 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1fzr h LYS 22 CO 0.05 1.15 0.13 0.28 -0.57 0.00 0.00 179.45 180.49 1fzr h VAL 23 N 0.74 1.19 -0.16 0.50 2.07 -0.87 -2.25 116.25 117.46 1fzr h VAL 23 Ca 0.06 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.03 1fzr h VAL 23 Cb 0.99 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1fzr h VAL 23 CO 0.10 0.20 0.03 0.28 0.02 0.00 0.00 177.57 178.19 1fzr h SER 24 N 0.39 -0.00 -0.87 0.57 0.02 -1.05 -1.29 113.55 111.32 1fzr h SER 24 Ca 0.11 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1fzr h SER 24 Cb 0.19 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 1fzr h SER 24 CO -0.01 0.03 0.53 0.11 -1.14 0.00 0.00 176.83 176.35 1fzr h LYS 25 N 0.09 1.18 -0.65 3.45 1.57 -1.20 0.41 116.57 121.43 1fzr h LYS 25 Ca 0.07 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1fzr h LYS 25 Cb 0.07 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1fzr h LYS 25 CO -0.10 0.82 0.13 0.37 -0.57 0.00 0.00 179.45 180.10 1fzr h GLN 26 N 1.20 1.06 -0.22 3.15 -0.00 -1.11 -1.36 115.11 117.83 1fzr h GLN 26 Ca 0.31 -0.27 -0.03 0.00 -0.00 0.00 0.00 58.65 58.66 1fzr h GLN 26 Cb -0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.28 1fzr h GLN 26 CO -0.06 0.97 0.03 -0.07 0.00 0.00 0.00 178.83 179.70 1fzr h LEU 27 N 0.98 0.36 -1.48 -2.39 3.38 -0.50 -2.78 115.31 112.88 1fzr h LEU 27 Ca 0.20 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1fzr h LEU 27 Cb 0.41 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1fzr h LEU 27 CO 0.01 0.54 0.37 -0.33 0.09 0.00 0.00 178.44 179.12 1fzr h GLU 28 N 0.17 0.69 0.00 1.13 5.08 -0.75 -0.98 114.58 119.92 1fzr h GLU 28 Ca 0.07 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1fzr h GLU 28 Cb 0.34 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1fzr h GLU 28 CO 0.01 0.46 -0.02 0.66 -1.00 0.00 0.00 179.01 179.11 1fzr h SER 29 N 0.71 0.00 -0.31 1.42 4.64 -0.99 -0.80 113.55 118.22 1fzr h SER 29 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1fzr h SER 29 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1fzr h SER 29 CO -0.05 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 1fzr n LYS 30 N -3.12 2.34 -1.25 4.77 4.01 -0.45 -4.94 118.16 119.52 1fzr n LYS 30 Ca 0.00 -2.02 -0.09 0.00 -0.51 0.00 0.00 58.31 55.70 1fzr n LYS 30 Cb 0.30 -1.49 -0.04 0.00 -0.51 0.00 0.00 35.03 33.30 1fzr n LYS 30 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1fzr n GLY 31 N 1.42 1.04 3.66 0.72 0.00 -0.31 -4.97 105.19 106.75 1fzr n GLY 31 Ca 0.18 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1fzr n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fzr s ILE 32 N -2.28 4.61 -0.15 -0.61 -1.09 -0.73 -5.00 121.20 115.95 1fzr s ILE 32 Ca 0.00 1.94 -0.28 0.00 -2.23 0.00 0.00 60.65 60.09 1fzr s ILE 32 Cb 0.00 -4.25 -0.01 0.00 -1.58 0.00 0.00 42.46 36.62 1fzr s ILE 32 CO 0.00 -0.17 0.94 -0.75 -1.23 0.00 0.00 174.94 173.73 1fzr s LYS 33 N 3.25 4.35 0.08 2.79 2.20 -1.26 -4.55 119.74 126.61 1fzr s LYS 33 Ca 0.46 1.24 0.01 0.00 -0.36 0.00 0.00 55.97 57.32 1fzr s LYS 33 Cb -0.16 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 1fzr s LYS 33 CO 0.08 -0.37 -0.06 -0.59 -0.36 0.00 0.00 175.35 174.05 1fzr s PHE 34 N 2.24 0.79 -0.21 4.03 -0.12 -1.26 -5.13 117.98 118.33 1fzr s PHE 34 Ca 0.44 -0.87 -0.09 0.00 -0.05 0.00 0.00 56.93 56.35 1fzr s PHE 34 Cb -0.17 -0.48 -0.05 0.00 -0.63 0.00 0.00 43.02 41.70 1fzr s PHE 34 CO 0.14 -0.18 0.12 -1.21 -0.05 0.00 0.00 175.22 174.04 1fzr s GLU 35 N -3.50 4.06 -0.28 1.99 2.02 -1.26 -5.08 118.70 116.65 1fzr s GLU 35 Ca 0.08 -0.29 -0.10 0.00 0.02 0.00 0.00 54.97 54.68 1fzr s GLU 35 Cb 0.03 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 1fzr s GLU 35 CO -0.05 0.18 0.16 -0.47 0.02 0.00 0.00 175.26 175.11 1fzr s TYR 36 N 0.67 3.18 -1.80 1.61 5.04 -1.26 -4.56 117.35 120.23 1fzr s TYR 36 Ca 0.06 -0.14 -0.21 0.00 -2.44 0.00 0.00 57.07 54.34 1fzr s TYR 36 Cb -0.12 -2.35 0.20 0.00 0.35 0.00 0.00 41.96 40.03 1fzr s TYR 36 CO 0.01 -0.27 0.65 0.39 -1.34 0.00 0.00 175.55 174.99 1fzr n GLU 37 N 5.02 -1.68 0.04 4.97 1.02 -1.26 -4.83 120.64 123.92 1fzr n GLU 37 Ca -0.14 0.23 0.11 0.00 -0.02 0.00 0.00 57.16 57.34 1fzr n GLU 37 Cb 0.51 -4.82 -0.03 0.00 -0.02 0.00 0.00 31.44 27.08 1fzr n GLU 37 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1fzr n GLU 38 N -4.21 0.45 -4.68 3.49 4.07 -1.26 -4.94 120.64 113.56 1fzr n GLU 38 Ca 0.08 -0.01 -0.23 0.00 -0.06 0.00 0.00 57.16 56.94 1fzr n GLU 38 Cb 0.48 -1.64 -0.15 0.00 -0.06 0.00 0.00 31.44 30.07 1fzr n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 1fzr s TRP 39 N -3.31 1.35 -0.14 4.31 0.52 -1.26 -5.12 118.94 115.28 1fzr s TRP 39 Ca -0.00 -0.26 -0.02 0.00 0.02 0.00 0.00 56.10 55.83 1fzr s TRP 39 Cb 0.13 -0.87 -0.02 0.00 -1.15 0.00 0.00 33.47 31.56 1fzr s TRP 39 CO 0.82 -0.02 -0.07 0.15 0.02 0.00 0.00 176.95 177.86 1fzr s LYS 40 N -0.41 3.52 -0.29 4.98 1.02 -1.26 -5.09 119.74 122.20 1fzr s LYS 40 Ca 0.06 -0.57 -0.12 0.00 0.02 0.00 0.00 55.97 55.35 1fzr s LYS 40 Cb -0.06 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 1fzr s LYS 40 CO -0.00 0.27 0.24 0.08 -0.92 0.00 0.00 175.35 175.01 1fzr s VAL 41 N 0.26 5.27 0.30 3.17 1.01 -1.26 -5.07 120.40 124.09 1fzr s VAL 41 Ca -0.05 0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 1fzr s VAL 41 Cb -0.14 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 1fzr s VAL 41 CO 0.04 0.19 0.96 -2.84 0.00 0.00 0.00 175.10 173.45 1fzr s PRO 42 N 1.83 4.63 0.19 2.72 0.02 -1.26 -5.05 135.00 138.07 1fzr s PRO 42 Ca 0.09 1.41 -0.14 0.00 0.02 0.00 0.00 61.00 62.38 1fzr s PRO 42 Cb -0.16 -2.93 0.01 0.00 0.02 0.00 0.00 34.50 31.44 1fzr s PRO 42 CO 0.11 0.31 0.42 1.52 -0.33 0.00 0.00 177.00 179.02 1fzr s TYR 43 N -1.48 0.13 -0.10 6.54 -0.85 -1.26 -5.16 117.35 115.17 1fzr s TYR 43 Ca 0.48 -0.48 0.03 0.00 -0.52 0.00 0.00 57.07 56.58 1fzr s TYR 43 Cb -0.22 0.19 0.00 0.00 0.38 0.00 0.00 41.96 42.32 1fzr s TYR 43 CO 0.27 -0.84 -0.21 0.08 -1.52 0.00 0.00 175.55 173.33 1fzr s VAL 44 N -3.92 1.83 -0.23 -3.49 1.01 -1.26 -5.09 120.40 109.25 1fzr s VAL 44 Ca 0.13 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 1fzr s VAL 44 Cb 0.01 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1fzr s VAL 44 CO -0.01 0.51 0.65 -0.63 0.00 0.00 0.00 175.10 175.62 1fzr s ILE 45 N 0.51 4.98 0.78 2.22 1.01 -1.26 -5.03 121.20 124.41 1fzr s ILE 45 Ca -0.16 1.19 -0.14 0.00 0.00 0.00 0.00 60.65 61.55 1fzr s ILE 45 Cb -0.17 -3.96 0.07 0.00 0.01 0.00 0.00 42.46 38.41 1fzr s ILE 45 CO 0.06 0.04 1.21 -2.84 0.00 0.00 0.00 174.94 173.42 1fzr s PRO 46 N 2.35 1.79 0.63 2.79 0.02 -1.26 -4.99 135.00 136.33 1fzr s PRO 46 Ca 0.28 1.79 -0.18 0.00 0.02 0.00 0.00 61.00 62.90 1fzr s PRO 46 Cb -0.16 -1.79 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 1fzr s PRO 46 CO 0.09 -2.11 1.26 0.00 -0.33 0.00 0.00 177.00 175.91 1fzr s ALA 47 N -2.05 2.43 0.06 -1.55 0.00 -1.26 -5.03 121.76 114.34 1fzr s ALA 47 Ca 0.74 1.13 0.05 0.00 0.00 0.00 0.00 51.96 53.89 1fzr s ALA 47 Cb -0.30 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.28 1fzr s ALA 47 CO 0.49 -1.46 -0.15 -1.54 0.00 0.00 0.00 175.76 173.10 1fzr s SER 48 N -1.49 1.75 -0.21 0.00 1.04 -1.26 -5.14 113.70 108.39 1fzr s SER 48 Ca 0.81 -0.53 -0.10 0.00 0.48 0.00 0.00 55.95 56.60 1fzr s SER 48 Cb -0.35 -0.09 -0.05 0.00 0.10 0.00 0.00 66.02 65.63 1fzr s SER 48 CO 0.38 -0.00 0.13 0.20 0.98 0.00 0.00 173.24 174.93 1fzr s ASN 49 N -1.42 6.15 0.28 7.02 0.02 -1.26 -5.09 114.94 120.64 1fzr s ASN 49 Ca 0.01 0.19 0.03 0.00 -1.02 0.00 0.00 52.86 52.06 1fzr s ASN 49 Cb -0.09 -2.09 -0.04 0.00 0.02 0.00 0.00 41.25 39.06 1fzr s ASN 49 CO 0.02 0.15 0.18 -1.00 0.02 0.00 0.00 177.10 176.47 1fzr s HIS 50 N 0.57 1.50 0.04 2.20 3.76 -1.26 -5.17 115.29 116.94 1fzr s HIS 50 Ca 0.08 -1.46 0.01 0.00 -0.15 0.00 0.00 55.06 53.54 1fzr s HIS 50 Cb -0.12 -0.72 -0.03 0.00 1.11 0.00 0.00 32.58 32.83 1fzr s HIS 50 CO 0.00 -0.66 -0.06 0.95 -0.85 0.00 0.00 174.74 174.12 1fzr s THR 51 N -3.74 0.42 -0.06 1.30 -4.23 -1.26 -5.16 115.64 102.92 1fzr s THR 51 Ca 0.38 -1.21 0.05 0.00 -1.18 0.00 0.00 61.69 59.73 1fzr s THR 51 Cb 0.05 -0.73 -0.00 0.00 1.34 0.00 0.00 72.50 73.15 1fzr s THR 51 CO 0.19 -0.53 -0.20 -0.47 -0.54 0.00 0.00 174.62 173.07 1fzr s TYR 52 N -1.90 2.01 -0.34 3.99 5.04 -1.26 -5.11 117.35 119.77 1fzr s TYR 52 Ca -0.07 -0.63 -0.00 0.00 -2.44 0.00 0.00 57.07 53.92 1fzr s TYR 52 Cb -0.07 -1.35 0.08 0.00 0.35 0.00 0.00 41.96 40.98 1fzr s TYR 52 CO -0.01 -0.22 0.07 0.99 -1.34 0.00 0.00 175.55 175.04 1fzr s THR 53 N 0.07 2.83 0.56 4.34 2.01 -1.26 -5.10 115.64 119.09 1fzr s THR 53 Ca -0.06 -1.89 -0.21 0.00 0.31 0.00 0.00 61.69 59.83 1fzr s THR 53 Cb -0.13 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 1fzr s THR 53 CO 0.04 -0.43 1.34 -2.84 -0.69 0.00 0.00 174.62 172.04 1fzr s PRO 54 N 1.11 3.04 0.11 4.92 0.02 -1.26 -4.93 135.00 138.00 1fzr s PRO 54 Ca 0.03 2.19 -0.14 0.00 0.02 0.00 0.00 61.00 63.11 1fzr s PRO 54 Cb -0.21 -2.18 -0.08 0.00 0.02 0.00 0.00 34.50 32.06 1fzr s PRO 54 CO -0.04 -1.26 1.42 -0.44 -0.33 0.00 0.00 177.00 176.35 1fzr h ASP 55 N 1.29 0.83 -4.47 2.53 3.32 -1.72 -3.46 116.42 114.74 1fzr h ASP 55 Ca -0.51 -0.49 -0.42 0.00 0.02 0.00 0.00 57.03 55.64 1fzr h ASP 55 Cb 1.31 -0.24 -0.22 0.00 0.22 0.00 0.00 39.33 40.41 1fzr h ASP 55 CO 0.56 1.15 -0.78 -0.36 -1.72 0.00 0.00 179.24 178.10 1fzr s PHE 56 N -4.30 1.23 -0.14 4.55 0.40 -0.35 -4.99 117.98 114.37 1fzr s PHE 56 Ca -0.12 -0.46 -0.00 0.00 -0.60 0.00 0.00 56.93 55.75 1fzr s PHE 56 Cb 0.09 -0.69 0.03 0.00 0.51 0.00 0.00 43.02 42.96 1fzr s PHE 56 CO 0.85 0.06 -0.09 -1.17 0.70 0.00 0.00 175.22 175.57 1fzr s LEU 57 N -1.74 1.52 0.53 -0.37 2.96 -1.26 -0.24 118.68 120.07 1fzr s LEU 57 Ca -0.02 -0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 53.32 1fzr s LEU 57 Cb -0.10 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.57 1fzr s LEU 57 CO 0.02 -0.12 0.88 -0.76 -1.32 0.00 0.00 176.35 175.05 1fzr s LEU 58 N 1.60 3.50 0.57 -0.68 1.43 -0.37 -4.97 118.68 119.76 1fzr s LEU 58 Ca 0.03 1.14 0.27 0.00 -1.03 0.00 0.00 54.13 54.54 1fzr s LEU 58 Cb -0.14 -4.12 1.53 0.00 0.03 0.00 0.00 46.19 43.49 1fzr s LEU 58 CO -0.09 -0.67 2.05 -0.65 0.23 0.00 0.00 176.35 177.22 1fzr h PRO 59 N 0.13 0.00 -0.19 1.29 0.11 -1.95 -0.82 132.00 130.56 1fzr h PRO 59 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1fzr h PRO 59 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1fzr h PRO 59 CO 0.62 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.68 1fzr n ASN 60 N -4.02 1.25 0.00 -2.05 0.23 -1.26 -4.83 115.26 104.58 1fzr n ASN 60 Ca 0.04 -1.85 0.00 0.00 -0.53 0.00 0.00 54.58 52.24 1fzr n ASN 60 Cb 0.42 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 1fzr n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1fzr n GLY 61 N 0.94 0.54 3.69 4.83 0.00 -0.31 -0.95 105.19 113.94 1fzr n GLY 61 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1fzr n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fzr s ILE 62 N -2.26 4.93 0.02 -0.61 1.01 -1.25 -4.58 121.20 118.46 1fzr s ILE 62 Ca 0.00 1.67 -0.14 0.00 0.00 0.00 0.00 60.65 62.18 1fzr s ILE 62 Cb 0.00 -4.15 -0.06 0.00 0.01 0.00 0.00 42.46 38.27 1fzr s ILE 62 CO 0.00 0.13 0.42 -0.36 0.00 0.00 0.00 174.94 175.13 1fzr s PHE 63 N 1.46 3.71 -0.10 3.97 0.40 0.50 -1.24 117.98 126.68 1fzr s PHE 63 Ca 0.41 0.98 0.01 0.00 -0.60 0.00 0.00 56.93 57.74 1fzr s PHE 63 Cb -0.18 -2.28 0.02 0.00 0.51 0.00 0.00 43.02 41.08 1fzr s PHE 63 CO 0.18 0.61 -0.13 0.08 0.70 0.00 0.00 175.22 176.66 1fzr s VAL 64 N -1.15 1.31 -0.16 -0.44 1.01 0.66 -0.47 120.40 121.17 1fzr s VAL 64 Ca 0.26 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 1fzr s VAL 64 Cb -0.16 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1fzr s VAL 64 CO 0.15 0.40 0.04 -0.75 0.00 0.00 0.00 175.10 174.94 1fzr s LYS 65 N 1.08 3.74 -0.15 2.72 2.47 0.12 -1.21 119.74 128.52 1fzr s LYS 65 Ca -0.06 -0.38 -0.08 0.00 -1.56 0.00 0.00 55.97 53.90 1fzr s LYS 65 Cb -0.15 -3.09 -0.04 0.00 -1.46 0.00 0.00 37.83 33.09 1fzr s LYS 65 CO -0.02 0.36 0.13 0.95 0.16 0.00 0.00 175.35 176.93 1fzr s THR 66 N 0.10 5.45 -0.01 3.43 -4.23 -1.26 -0.76 115.64 118.36 1fzr s THR 66 Ca 0.04 0.19 0.01 0.00 -1.18 0.00 0.00 61.69 60.75 1fzr s THR 66 Cb -0.13 -3.41 0.01 0.00 1.34 0.00 0.00 72.50 70.31 1fzr s THR 66 CO 0.01 0.56 -0.02 -0.54 -0.54 0.00 0.00 174.62 174.09 1fzr s LYS 67 N -0.55 0.27 0.00 3.99 -0.14 -0.45 -4.94 119.74 117.91 1fzr s LYS 67 Ca 0.12 -0.06 0.00 0.00 -1.36 0.00 0.00 55.97 54.67 1fzr s LYS 67 Cb -0.12 -0.31 0.00 0.00 -1.68 0.00 0.00 37.83 35.73 1fzr s LYS 67 CO 0.02 0.01 0.00 0.41 -0.76 0.00 0.00 175.35 175.03 1fzr n GLY 68 N 3.30 0.12 3.77 -3.33 0.00 -1.26 -1.42 105.19 106.37 1fzr n GLY 68 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1fzr n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fzr s LEU 69 N 0.00 4.30 -0.43 0.99 2.01 -1.26 -4.65 118.68 119.63 1fzr s LEU 69 Ca 0.00 2.41 0.05 0.00 0.01 0.00 0.00 54.13 56.60 1fzr s LEU 69 Cb 0.00 -3.88 0.17 0.00 0.01 0.00 0.00 46.19 42.49 1fzr s LEU 69 CO 0.00 -0.57 0.44 0.86 1.01 0.00 0.00 176.35 178.09 1fzr s TRP 70 N -1.32 0.32 0.91 0.29 -0.00 -1.26 -5.12 118.94 112.76 1fzr s TRP 70 Ca 0.53 -1.79 -0.14 0.00 -0.00 0.00 0.00 56.10 54.71 1fzr s TRP 70 Cb -0.33 -0.57 0.14 0.00 -0.00 0.00 0.00 33.47 32.71 1fzr s TRP 70 CO 0.42 -0.95 1.20 -1.21 -0.00 0.00 0.00 176.95 176.41 1fzr s GLU 71 N 0.37 1.14 0.22 5.86 0.41 -1.26 -4.73 118.70 120.70 1fzr s GLU 71 Ca 0.31 0.03 -0.17 0.00 -0.41 0.00 0.00 54.97 54.73 1fzr s GLU 71 Cb 0.01 -1.86 0.23 0.00 -1.78 0.00 0.00 34.13 30.73 1fzr s GLU 71 CO -0.15 -2.15 1.57 1.03 -0.49 0.00 0.00 175.26 175.07 1fzr h SER 72 N -1.46 -1.24 -0.34 -0.19 0.87 -1.99 -0.52 113.55 108.67 1fzr h SER 72 Ca -0.47 0.28 0.05 0.00 -1.23 0.00 0.00 61.79 60.42 1fzr h SER 72 Cb 1.31 0.67 -0.05 0.00 -0.44 0.00 0.00 62.40 63.88 1fzr h SER 72 CO 0.56 -0.29 0.04 -0.78 -0.53 0.00 0.00 176.83 175.83 1fzr h ASP 73 N -0.05 -0.04 -0.45 6.23 3.58 -1.99 -0.47 116.42 123.22 1fzr h ASP 73 Ca 0.33 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.83 1fzr h ASP 73 Cb 0.59 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 1fzr h ASP 73 CO -0.88 0.01 0.23 0.44 -2.88 0.00 0.00 179.24 176.16 1fzr h ASP 74 N 0.15 0.58 -0.49 2.28 3.32 -1.51 -1.96 116.42 118.80 1fzr h ASP 74 Ca 0.16 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.11 1fzr h ASP 74 Cb 0.20 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1fzr h ASP 74 CO -0.24 0.53 0.30 0.03 -1.72 0.00 0.00 179.24 178.15 1fzr h ARG 75 N 0.59 0.59 -0.61 3.56 3.08 -0.65 0.17 114.38 121.11 1fzr h ARG 75 Ca 0.16 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 1fzr h ARG 75 Cb 0.10 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1fzr h ARG 75 CO -0.02 0.39 0.17 0.87 -1.07 0.00 0.00 179.97 180.31 1fzr h LYS 76 N 0.61 0.96 -0.62 0.04 1.57 -1.01 -2.27 116.57 115.85 1fzr h LYS 76 Ca 0.19 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1fzr h LYS 76 Cb -0.02 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1fzr h LYS 76 CO -0.07 0.86 0.19 0.87 -0.57 0.00 0.00 179.45 180.74 1fzr h LYS 77 N 0.88 0.94 -0.77 3.15 1.57 -0.71 -2.30 116.57 119.34 1fzr h LYS 77 Ca 0.19 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1fzr h LYS 77 Cb 0.32 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1fzr h LYS 77 CO -0.00 0.81 0.51 1.25 -0.57 0.00 0.00 179.45 181.45 1fzr h HIS 78 N 0.91 0.97 -0.43 -1.35 2.76 -0.19 -0.96 115.15 116.86 1fzr h HIS 78 Ca 0.20 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.31 1fzr h HIS 78 Cb 0.27 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 1fzr h HIS 78 CO 0.02 0.61 -0.10 -0.07 -1.30 0.00 0.00 177.93 177.09 1fzr h LEU 79 N 1.04 0.76 -0.79 0.26 3.38 -1.09 -1.79 115.31 117.09 1fzr h LEU 79 Ca 0.28 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1fzr h LEU 79 Cb -0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 1fzr h LEU 79 CO -0.06 0.88 0.05 -0.07 0.09 0.00 0.00 178.44 179.34 1fzr h LEU 80 N 0.70 0.93 -0.41 1.67 3.38 -0.82 -1.84 115.31 118.92 1fzr h LEU 80 Ca 0.12 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1fzr h LEU 80 Cb 0.57 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1fzr h LEU 80 CO 0.04 0.96 0.14 0.40 0.09 0.00 0.00 178.44 180.07 1fzr h ILE 81 N 0.91 1.21 -0.50 1.22 2.04 -0.92 -0.41 117.51 121.06 1fzr h ILE 81 Ca 0.18 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1fzr h ILE 81 Cb 0.46 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1fzr h ILE 81 CO 0.02 0.24 0.33 0.03 0.00 0.00 0.00 178.15 178.76 1fzr h ARG 82 N 0.52 0.67 -0.42 2.37 3.08 -1.16 0.88 114.38 120.32 1fzr h ARG 82 Ca 0.13 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1fzr h ARG 82 Cb 0.23 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1fzr h ARG 82 CO -0.01 0.45 0.20 0.93 -1.07 0.00 0.00 179.97 180.48 1fzr h GLU 83 N 0.68 0.61 0.00 0.04 5.08 -1.14 -2.82 114.58 117.03 1fzr h GLU 83 Ca 0.18 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1fzr h GLU 83 Cb -0.06 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1fzr h GLU 83 CO -0.04 0.54 -0.20 1.96 -1.00 0.00 0.00 179.01 180.27 1fzr h GLN 84 N 0.54 0.00 -2.07 2.33 4.20 -0.90 -3.38 115.11 115.83 1fzr h GLN 84 Ca 0.14 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.32 1fzr h GLN 84 Cb 0.13 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 27.51 1fzr h GLN 84 CO -0.02 0.00 -1.02 0.72 -0.67 0.00 0.00 178.83 177.85 1fzr n HIS 85 N -2.76 1.12 0.32 2.96 8.25 0.29 -4.91 115.22 120.48 1fzr n HIS 85 Ca 0.04 -3.82 0.05 0.00 -0.26 0.00 0.00 57.72 53.72 1fzr n HIS 85 Cb 0.50 -0.43 0.22 0.00 1.12 0.00 0.00 29.99 31.40 1fzr n HIS 85 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1fzr n PRO 86 N 0.49 0.01 0.00 -0.41 -0.04 -1.07 -1.83 135.00 132.16 1fzr n PRO 86 Ca 0.26 0.35 0.15 0.00 -0.04 0.00 0.00 63.50 64.21 1fzr n PRO 86 Cb 0.56 -1.52 0.75 0.00 -0.04 0.00 0.00 33.50 33.24 1fzr n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1fzr n GLU 87 N -1.54 0.45 -4.01 0.54 0.00 -1.26 -4.84 120.64 109.98 1fzr n GLU 87 Ca 0.02 -0.02 -0.32 0.00 0.00 0.00 0.00 57.16 56.84 1fzr n GLU 87 Cb 0.11 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 29.99 1fzr n GLU 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1fzr s LEU 88 N -2.56 4.08 -0.45 -1.84 1.43 -0.76 -4.91 118.68 113.68 1fzr s LEU 88 Ca 0.29 0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 53.51 1fzr s LEU 88 Cb 0.20 -2.53 0.12 0.00 0.03 0.00 0.00 46.19 44.01 1fzr s LEU 88 CO 0.46 0.23 0.29 -0.62 0.23 0.00 0.00 176.35 176.94 1fzr s ASP 89 N -2.07 5.52 -0.16 2.29 -1.08 -1.26 -5.06 116.67 114.85 1fzr s ASP 89 Ca 0.28 -1.96 -0.00 0.00 -0.52 0.00 0.00 52.55 50.34 1fzr s ASP 89 Cb -0.12 -1.94 -0.00 0.00 -1.46 0.00 0.00 42.92 39.39 1fzr s ASP 89 CO 0.19 -0.63 -0.13 -0.63 0.52 0.00 0.00 175.17 174.49 1fzr s ILE 90 N 1.27 2.83 0.25 4.11 1.01 -1.26 -0.37 121.20 129.04 1fzr s ILE 90 Ca 0.07 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.07 1fzr s ILE 90 Cb -0.25 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 1fzr s ILE 90 CO -0.02 0.51 -0.08 -0.13 0.00 0.00 0.00 174.94 175.22 1fzr s ARG 91 N 0.81 1.44 -0.06 2.79 0.52 0.38 -4.63 118.95 120.21 1fzr s ARG 91 Ca -0.05 -1.70 0.05 0.00 -0.52 0.00 0.00 55.73 53.51 1fzr s ARG 91 Cb -0.15 -1.06 -0.01 0.00 0.52 0.00 0.00 34.95 34.25 1fzr s ARG 91 CO 0.00 0.06 -0.23 0.42 0.02 0.00 0.00 175.30 175.58 1fzr s ILE 92 N -3.06 1.87 -0.24 1.52 1.01 -0.72 0.12 121.20 121.71 1fzr s ILE 92 Ca 0.27 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.91 1fzr s ILE 92 Cb 0.03 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 1fzr s ILE 92 CO 0.10 0.52 0.02 -0.69 0.00 0.00 0.00 174.94 174.89 1fzr s VAL 93 N -0.01 3.88 0.11 2.92 1.01 0.06 -1.42 120.40 126.95 1fzr s VAL 93 Ca -0.06 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1fzr s VAL 93 Cb -0.14 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1fzr s VAL 93 CO 0.04 0.37 0.24 -0.36 0.00 0.00 0.00 175.10 175.39 1fzr s PHE 94 N 1.55 3.47 0.12 5.22 0.40 -0.35 -1.34 117.98 127.05 1fzr s PHE 94 Ca 0.06 0.16 -0.16 0.00 -0.60 0.00 0.00 56.93 56.40 1fzr s PHE 94 Cb -0.15 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.66 1fzr s PHE 94 CO 0.00 0.55 1.59 0.77 0.70 0.00 0.00 175.22 178.83 1fzr h SER 95 N 2.58 0.62 -2.72 1.36 0.02 -1.50 0.27 113.55 114.17 1fzr h SER 95 Ca -0.47 -0.28 -0.14 0.00 -0.84 0.00 0.00 61.79 60.06 1fzr h SER 95 Cb 1.18 -0.16 -0.29 0.00 0.14 0.00 0.00 62.40 63.26 1fzr h SER 95 CO 0.71 0.74 -0.42 -0.55 -1.14 0.00 0.00 176.83 176.18 1fzr s SER 96 N -6.08 -0.09 0.00 3.07 0.15 -1.26 -4.34 113.70 105.15 1fzr s SER 96 Ca -0.13 0.84 0.31 0.00 0.70 0.00 0.00 55.95 57.67 1fzr s SER 96 Cb 0.10 1.06 1.72 0.00 -1.71 0.00 0.00 66.02 67.19 1fzr s SER 96 CO 0.78 -0.23 2.14 -1.54 1.20 0.00 0.00 173.24 175.59 1fzr n SER 97 N 5.23 0.10 0.15 5.45 3.41 -1.26 -3.14 113.62 123.55 1fzr n SER 97 Ca -0.10 -0.76 0.12 0.00 -0.26 0.00 0.00 58.87 57.87 1fzr n SER 97 Cb 0.50 -0.08 0.16 0.00 -0.26 0.00 0.00 64.21 64.53 1fzr n SER 97 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1fzr h ARG 98 N 0.14 0.00 -6.48 4.33 2.47 -1.95 -0.18 114.38 112.71 1fzr h ARG 98 Ca 0.00 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 58.11 1fzr h ARG 98 Cb 0.12 0.00 0.11 0.00 -1.65 0.00 0.00 29.97 28.55 1fzr h ARG 98 CO 0.00 0.00 0.20 2.41 0.56 0.00 0.00 179.97 183.14 1fzr n THR 99 N -2.74 1.82 -2.39 2.04 -1.04 -1.19 -4.63 114.28 106.15 1fzr n THR 99 Ca 0.03 -0.45 -0.33 0.00 -2.04 0.00 0.00 64.05 61.26 1fzr n THR 99 Cb 0.51 -1.04 -0.03 0.00 -1.82 0.00 0.00 70.33 67.95 1fzr n THR 99 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1fzr s LYS 100 N -1.39 3.77 0.33 -2.82 -0.14 -1.26 -1.03 119.74 117.21 1fzr s LYS 100 Ca 0.60 1.14 0.08 0.00 -1.36 0.00 0.00 55.97 56.44 1fzr s LYS 100 Cb -0.71 -2.10 0.80 0.00 -1.68 0.00 0.00 37.83 34.14 1fzr s LYS 100 CO 0.59 -0.43 1.81 -0.07 -0.76 0.00 0.00 175.35 176.49 1fzr h LEU 101 N 1.07 0.72 -7.11 3.17 3.38 -0.68 -3.45 115.31 112.41 1fzr h LEU 101 Ca -0.48 0.07 0.20 0.00 0.09 0.00 0.00 57.88 57.77 1fzr h LEU 101 Cb 1.20 -0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.74 1fzr h LEU 101 CO 0.60 0.28 0.66 -0.72 0.09 0.00 0.00 178.44 179.35 1fzr s TYR 102 N -5.76 -0.20 -0.36 1.13 -0.85 -1.26 -4.70 117.35 105.34 1fzr s TYR 102 Ca -0.11 0.08 -0.42 0.00 -0.52 0.00 0.00 57.07 56.10 1fzr s TYR 102 Cb 0.24 0.54 -0.17 0.00 0.38 0.00 0.00 41.96 42.95 1fzr s TYR 102 CO 0.80 -0.41 1.76 1.17 -1.52 0.00 0.00 175.55 177.35 1fzr n LYS 103 N -0.24 0.75 0.00 -3.49 3.00 -1.26 -0.10 118.16 116.82 1fzr n LYS 103 Ca -0.05 0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 1fzr n LYS 103 Cb 0.60 -1.92 0.00 0.00 0.00 0.00 0.00 35.03 33.72 1fzr n LYS 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fzr n GLY 104 N 4.53 1.33 3.78 3.14 0.00 -1.26 -5.05 105.19 111.65 1fzr n GLY 104 Ca 0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.96 1fzr n GLY 104 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fzr s SER 105 N -2.11 6.96 0.29 1.61 0.15 0.86 -4.94 113.70 116.52 1fzr s SER 105 Ca 0.00 2.01 0.18 0.00 0.70 0.00 0.00 55.95 58.83 1fzr s SER 105 Cb 0.00 -2.59 0.11 0.00 -1.71 0.00 0.00 66.02 61.83 1fzr s SER 105 CO 0.00 -0.35 1.40 -0.65 1.20 0.00 0.00 173.24 174.84 1fzr h PRO 106 N 2.79 0.00 -5.92 5.44 0.11 -1.97 -3.44 132.00 129.02 1fzr h PRO 106 Ca -0.48 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.05 1fzr h PRO 106 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 1fzr h PRO 106 CO 0.63 0.33 -0.13 0.99 -0.21 0.00 0.00 178.00 179.61 1fzr s THR 107 N -3.04 5.05 0.52 -1.15 2.01 -1.26 -4.99 115.64 112.77 1fzr s THR 107 Ca 0.04 0.99 0.00 0.00 0.31 0.00 0.00 61.69 63.03 1fzr s THR 107 Cb 0.07 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.79 1fzr s THR 107 CO 0.74 0.44 0.75 -0.94 -0.69 0.00 0.00 174.62 174.91 1fzr s SER 108 N -0.16 5.51 0.19 3.53 1.04 -1.26 0.03 113.70 122.58 1fzr s SER 108 Ca 0.26 0.18 -0.12 0.00 0.48 0.00 0.00 55.95 56.75 1fzr s SER 108 Cb -0.16 -1.21 0.15 0.00 0.10 0.00 0.00 66.02 64.89 1fzr s SER 108 CO 0.13 -0.97 1.81 1.88 0.98 0.00 0.00 173.24 177.07 1fzr h TYR 109 N 0.17 0.58 -0.71 5.02 0.99 -0.96 -1.42 116.97 120.64 1fzr h TYR 109 Ca -0.44 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.31 1fzr h TYR 109 Cb 1.28 -0.18 -0.03 0.00 1.00 0.00 0.00 36.73 38.79 1fzr h TYR 109 CO 0.41 0.31 0.45 0.78 -0.00 0.00 0.00 178.16 180.11 1fzr h GLY 110 N 0.61 1.01 1.33 3.88 0.00 -1.31 -0.91 103.07 107.68 1fzr h GLY 110 Ca 0.24 -0.39 -0.18 0.00 0.00 0.00 0.00 47.33 47.00 1fzr h GLY 110 CO -0.13 0.38 -0.59 0.83 0.00 0.00 0.00 176.54 177.03 1fzr h GLU 111 N 0.97 0.70 -0.61 4.80 5.08 -1.64 -1.28 114.58 122.61 1fzr h GLU 111 Ca 0.26 -0.47 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1fzr h GLU 111 Cb -0.09 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1fzr h GLU 111 CO -0.05 1.09 0.24 0.35 -1.00 0.00 0.00 179.01 179.64 1fzr h PHE 112 N 0.52 0.92 -0.55 4.33 3.57 -0.86 -1.38 116.94 123.49 1fzr h PHE 112 Ca -0.00 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1fzr h PHE 112 Cb 1.17 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 1fzr h PHE 112 CO 0.06 0.74 0.32 0.00 -2.23 0.00 0.00 178.31 177.20 1fzr h GLU 114 N 0.74 0.92 -0.18 0.00 5.08 -1.03 0.11 114.58 120.21 1fzr h GLU 114 Ca 0.20 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1fzr h GLU 114 Cb 0.01 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1fzr h GLU 114 CO -0.04 0.80 -0.21 -0.22 -1.00 0.00 0.00 179.01 178.34 1fzr h LYS 115 N 0.89 0.32 -0.60 2.33 3.64 -0.78 -3.06 116.57 119.31 1fzr h LYS 115 Ca 0.20 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1fzr h LYS 115 Cb 0.28 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1fzr h LYS 115 CO -0.01 0.53 0.00 0.72 -2.27 0.00 0.00 179.45 178.42 1fzr n HIS 116 N -4.18 0.80 -1.31 1.91 8.25 -0.77 -4.97 115.22 114.96 1fzr n HIS 116 Ca -0.01 -0.49 -0.07 0.00 -0.26 0.00 0.00 57.72 56.90 1fzr n HIS 116 Cb 0.35 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 1fzr n HIS 116 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fzr n GLY 117 N 1.28 0.83 3.67 -1.41 0.00 -0.09 -5.01 105.19 104.46 1fzr n GLY 117 Ca 0.20 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1fzr n GLY 117 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fzr s ILE 118 N -2.27 4.92 0.20 -0.61 1.01 0.18 -5.01 121.20 119.62 1fzr s ILE 118 Ca 0.00 1.52 -0.30 0.00 0.00 0.00 0.00 60.65 61.87 1fzr s ILE 118 Cb 0.00 -4.09 -0.08 0.00 0.01 0.00 0.00 42.46 38.30 1fzr s ILE 118 CO 0.00 0.05 0.99 -0.54 0.00 0.00 0.00 174.94 175.44 1fzr s LYS 119 N 2.05 4.75 0.19 2.79 1.02 -1.26 -4.35 119.74 124.92 1fzr s LYS 119 Ca 0.36 1.56 -0.11 0.00 0.02 0.00 0.00 55.97 57.79 1fzr s LYS 119 Cb -0.16 -3.29 -0.00 0.00 -0.52 0.00 0.00 37.83 33.85 1fzr s LYS 119 CO 0.12 0.34 0.37 -0.59 -0.92 0.00 0.00 175.35 174.67 1fzr s PHE 120 N -0.75 0.30 0.35 3.18 -0.12 -1.26 -1.75 117.98 117.93 1fzr s PHE 120 Ca 0.44 -0.66 -0.01 0.00 -0.05 0.00 0.00 56.93 56.65 1fzr s PHE 120 Cb -0.27 0.07 0.00 0.00 -0.63 0.00 0.00 43.02 42.20 1fzr s PHE 120 CO 0.33 -0.81 0.46 0.00 -0.05 0.00 0.00 175.22 175.15 1fzr s ALA 121 N -3.96 0.89 -0.07 1.99 0.00 -0.51 -4.96 121.76 115.14 1fzr s ALA 121 Ca 0.17 -1.58 0.05 0.00 0.00 0.00 0.00 51.96 50.60 1fzr s ALA 121 Cb 0.02 1.18 -0.01 0.00 0.00 0.00 0.00 23.12 24.31 1fzr s ALA 121 CO 0.01 -0.78 -0.23 -0.51 0.00 0.00 0.00 175.76 174.26 1fzr s ASP 122 N -3.26 2.85 0.00 0.00 1.01 -1.26 -1.21 116.67 114.80 1fzr s ASP 122 Ca 0.31 -0.49 0.00 0.00 0.71 0.00 0.00 52.55 53.09 1fzr s ASP 122 Cb -0.00 -0.96 0.00 0.00 1.01 0.00 0.00 42.92 42.97 1fzr s ASP 122 CO 0.21 0.19 0.00 0.29 0.21 0.00 0.00 175.17 176.08 1fzr n LYS 123 N 3.19 0.00 -4.22 8.23 5.02 0.94 -4.83 118.16 126.48 1fzr n LYS 123 Ca -0.18 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 55.98 1fzr n LYS 123 Cb 0.52 -0.08 -0.10 0.00 -0.02 0.00 0.00 35.03 35.36 1fzr n LYS 123 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fzr s LEU 124 N 0.00 2.16 0.07 -0.35 1.02 -1.26 -4.97 118.68 115.34 1fzr s LEU 124 Ca 0.00 -1.15 -0.31 0.00 0.02 0.00 0.00 54.13 52.70 1fzr s LEU 124 Cb 0.00 -0.04 -0.06 0.00 0.02 0.00 0.00 46.19 46.12 1fzr s LEU 124 CO 0.00 -0.56 1.20 -0.63 0.02 0.00 0.00 176.35 176.37 1fzr s ILE 125 N -3.68 4.03 0.35 -0.59 1.01 -1.26 -4.88 121.20 116.18 1fzr s ILE 125 Ca 0.22 1.46 -0.29 0.00 0.00 0.00 0.00 60.65 62.05 1fzr s ILE 125 Cb 0.06 -3.94 -0.11 0.00 0.01 0.00 0.00 42.46 38.48 1fzr s ILE 125 CO 0.02 0.12 1.50 -2.65 0.00 0.00 0.00 174.94 173.94 1fzr n PRO 126 N 3.87 2.63 -0.27 2.79 -0.02 -1.26 -4.88 135.00 137.86 1fzr n PRO 126 Ca 0.09 0.93 0.06 0.00 -2.02 0.00 0.00 63.50 62.55 1fzr n PRO 126 Cb 0.46 -2.66 0.28 0.00 -0.02 0.00 0.00 33.50 31.57 1fzr n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fzr h ALA 127 N 3.52 1.60 -0.06 3.55 0.00 -2.01 -1.73 119.26 124.14 1fzr h ALA 127 Ca -0.49 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1fzr h ALA 127 Cb 1.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1fzr h ALA 127 CO 0.69 0.26 -0.23 1.05 0.00 0.00 0.00 179.25 181.02 1fzr h GLU 128 N 0.92 0.10 -0.47 0.00 4.11 -1.99 -2.64 114.58 114.60 1fzr h GLU 128 Ca 0.38 -0.03 -0.09 0.00 0.07 0.00 0.00 59.36 59.69 1fzr h GLU 128 Cb 0.27 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1fzr h GLU 128 CO -0.14 0.33 -0.05 -1.49 0.07 0.00 0.00 179.01 177.72 1fzr h TRP 129 N 0.09 0.97 -0.10 2.06 4.06 -1.68 -2.24 115.95 119.11 1fzr h TRP 129 Ca 0.02 -0.19 0.03 0.00 2.06 0.00 0.00 58.89 60.81 1fzr h TRP 129 Cb 0.46 -0.24 -0.00 0.00 -1.00 0.00 0.00 29.16 28.37 1fzr h TRP 129 CO 0.00 0.93 0.07 0.82 -3.56 0.00 0.00 178.44 176.71 1fzr h ILE 130 N 0.72 0.90 0.00 1.49 2.04 -1.37 -2.19 117.51 119.10 1fzr h ILE 130 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1fzr h ILE 130 Cb 0.58 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1fzr h ILE 130 CO 0.03 0.00 -0.30 0.29 0.00 0.00 0.00 178.15 178.18 1fzr n LYS 131 N -4.43 0.11 -1.72 2.37 5.02 -0.86 -4.87 118.16 113.78 1fzr n LYS 131 Ca -0.01 0.06 -0.39 0.00 -2.02 0.00 0.00 58.31 55.95 1fzr n LYS 131 Cb 0.19 -1.59 0.04 0.00 -0.02 0.00 0.00 35.03 33.64 1fzr n LYS 131 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1fzr n GLU 132 N -1.77 1.66 -1.82 1.97 1.02 -0.83 -4.91 120.64 115.96 1fzr n GLU 132 Ca 0.05 0.61 -0.39 0.00 -0.02 0.00 0.00 57.16 57.41 1fzr n GLU 132 Cb 0.38 -2.50 0.02 0.00 -0.02 0.00 0.00 31.44 29.32 1fzr n GLU 132 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1fzr s PRO 133 N -2.75 3.57 0.37 3.49 0.04 -1.26 -4.83 135.00 133.62 1fzr s PRO 133 Ca 0.70 2.34 -0.28 0.00 0.04 0.00 0.00 61.00 63.80 1fzr s PRO 133 Cb -0.43 -2.55 -0.11 0.00 0.04 0.00 0.00 34.50 31.44 1fzr s PRO 133 CO 0.51 -0.88 1.48 0.21 0.04 0.00 0.00 177.00 178.35 1fzr s LYS 134 N -2.56 4.13 0.01 4.56 2.20 -1.26 -4.94 119.74 121.88 1fzr s LYS 134 Ca 0.63 2.54 0.05 0.00 -0.36 0.00 0.00 55.97 58.83 1fzr s LYS 134 Cb -0.42 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 32.91 1fzr s LYS 134 CO 0.53 -0.51 -0.14 -1.59 -0.36 0.00 0.00 175.35 173.28 1fzr s LYS 135 N -2.01 1.04 0.30 4.03 -2.85 -0.12 -5.02 119.74 115.11 1fzr s LYS 135 Ca 0.53 -0.62 -0.29 0.00 -1.00 0.00 0.00 55.97 54.58 1fzr s LYS 135 Cb -0.46 -1.03 -0.10 0.00 -2.06 0.00 0.00 37.83 34.18 1fzr s LYS 135 CO 0.62 0.27 1.24 -1.21 0.10 0.00 0.00 175.35 176.37 1fzr s GLU 136 N -0.71 4.45 -0.17 1.78 0.41 -1.26 -4.13 118.70 119.06 1fzr s GLU 136 Ca 0.04 2.07 -0.07 0.00 -0.41 0.00 0.00 54.97 56.59 1fzr s GLU 136 Cb -0.07 -3.12 -0.04 0.00 -1.78 0.00 0.00 34.13 29.12 1fzr s GLU 136 CO 0.00 -0.08 0.08 0.08 -0.49 0.00 0.00 175.26 174.85 1fzr s VAL 137 N -0.97 4.93 -1.30 2.63 1.01 -1.26 -5.02 120.40 120.42 1fzr s VAL 137 Ca 0.49 0.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.31 1fzr s VAL 137 Cb -0.37 -3.21 0.08 0.00 0.00 0.00 0.00 36.38 32.88 1fzr s VAL 137 CO 0.47 0.48 1.75 -0.81 0.00 0.00 0.00 175.10 177.00 1fzr n PRO 138 N 3.29 3.20 0.19 2.72 -0.04 -1.26 -4.80 135.00 138.30 1fzr n PRO 138 Ca -0.17 -3.29 0.16 0.00 -0.04 0.00 0.00 63.50 60.16 1fzr n PRO 138 Cb 0.52 -3.40 0.78 0.00 -0.04 0.00 0.00 33.50 31.37 1fzr n PRO 138 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1fzr h PHE 139 N 7.29 0.00 0.00 0.54 -1.00 -1.95 -0.39 116.94 121.43 1fzr h PHE 139 Ca 0.44 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.22 1fzr h PHE 139 Cb 0.84 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.40 1fzr h PHE 139 CO 1.38 0.00 -0.01 -0.44 -1.61 0.00 0.00 178.31 177.64 1fzr h ASP 140 N 0.00 0.00 0.75 2.17 3.32 -2.05 0.30 116.42 120.91 1fzr h ASP 140 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1fzr h ASP 140 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1fzr h ASP 140 CO -0.00 0.01 -0.41 0.54 -1.72 0.00 0.00 179.24 177.65 1fzr n ARG 141 N -3.28 0.10 -3.52 3.56 5.12 -0.15 -4.94 116.66 113.55 1fzr n ARG 141 Ca -0.03 0.04 -0.21 0.00 -1.93 0.00 0.00 57.85 55.72 1fzr n ARG 141 Cb 0.09 -1.57 -0.02 0.00 -1.16 0.00 0.00 32.46 29.80 1fzr n ARG 141 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1fzr s LEU 142 N -3.43 3.35 -0.13 0.55 1.02 0.09 -5.13 118.68 115.01 1fzr s LEU 142 Ca 0.10 -0.76 0.01 0.00 0.02 0.00 0.00 54.13 53.50 1fzr s LEU 142 Cb 0.16 -2.02 0.02 0.00 0.02 0.00 0.00 46.19 44.37 1fzr s LEU 142 CO 0.67 -0.73 -0.15 -1.59 0.02 0.00 0.00 176.35 174.57 1fzr s LYS 143 N -4.18 2.31 0.45 1.70 -2.85 -1.26 -5.00 119.74 110.90 1fzr s LYS 143 Ca 0.48 -0.58 -0.24 0.00 -1.00 0.00 0.00 55.97 54.64 1fzr s LYS 143 Cb -0.04 -2.02 -0.07 0.00 -2.06 0.00 0.00 37.83 33.64 1fzr s LYS 143 CO 0.28 -0.13 1.23 0.50 0.10 0.00 0.00 175.35 177.33 1fzr s ARG 144 N 1.19 3.75 0.00 1.78 3.52 -1.26 -5.16 118.95 122.77 1fzr s ARG 144 Ca -0.02 1.94 0.24 0.00 -0.13 0.00 0.00 55.73 57.77 1fzr s ARG 144 Cb -0.14 -2.50 1.45 0.00 -1.56 0.00 0.00 34.95 32.20 1fzr s ARG 144 CO -0.05 -0.60 1.82 0.36 -0.81 0.00 0.00 175.30 176.01