#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fxr s ARG 2 N 0.00 4.08 -0.07 0.00 3.00 -1.26 -5.05 118.95 119.65 1fxr s ARG 2 Ca 0.00 1.43 0.01 0.00 0.00 0.00 0.00 55.73 57.17 1fxr s ARG 2 Cb 0.00 -2.39 0.02 0.00 0.00 0.00 0.00 34.95 32.58 1fxr s ARG 2 CO 0.00 -0.20 -0.07 0.15 0.00 0.00 0.00 175.30 175.18 1fxr s LYS 3 N -2.74 1.21 0.02 3.54 1.02 -1.26 -4.91 119.74 116.62 1fxr s LYS 3 Ca 0.61 -0.21 -0.21 0.00 0.02 0.00 0.00 55.97 56.18 1fxr s LYS 3 Cb -0.19 -1.18 0.05 0.00 -0.52 0.00 0.00 37.83 35.99 1fxr s LYS 3 CO 0.24 -0.11 0.48 -0.59 -0.92 0.00 0.00 175.35 174.45 1fxr s PHE 4 N 1.12 -0.38 0.22 3.18 -0.71 -1.26 -1.76 117.98 118.38 1fxr s PHE 4 Ca -0.07 0.48 -0.13 0.00 -1.04 0.00 0.00 56.93 56.16 1fxr s PHE 4 Cb -0.14 0.28 0.00 0.00 -1.21 0.00 0.00 43.02 41.95 1fxr s PHE 4 CO -0.01 -0.58 0.46 1.52 -1.34 0.00 0.00 175.22 175.27 1fxr s TYR 5 N -2.07 0.23 -0.15 3.49 1.13 -0.83 -4.86 117.35 114.28 1fxr s TYR 5 Ca -0.08 -0.59 -0.07 0.00 -1.41 0.00 0.00 57.07 54.93 1fxr s TYR 5 Cb -0.01 0.21 -0.04 0.00 -1.10 0.00 0.00 41.96 41.01 1fxr s TYR 5 CO 0.01 -0.92 0.09 0.08 -2.51 0.00 0.00 175.55 172.29 1fxr s VAL 6 N -3.97 5.02 -0.66 -3.49 1.01 -1.26 -1.42 120.40 115.64 1fxr s VAL 6 Ca 0.17 0.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.96 1fxr s VAL 6 Cb -0.00 -3.22 0.06 0.00 0.00 0.00 0.00 36.38 33.22 1fxr s VAL 6 CO 0.04 0.53 1.00 -0.62 0.00 0.00 0.00 175.10 176.05 1fxr s ASP 7 N -0.26 6.19 0.55 3.32 2.15 0.86 -4.90 116.67 124.59 1fxr s ASP 7 Ca 0.09 -0.85 0.33 0.00 0.43 0.00 0.00 52.55 52.55 1fxr s ASP 7 Cb -0.12 -2.44 1.54 0.00 -0.30 0.00 0.00 42.92 41.61 1fxr s ASP 7 CO 0.01 -1.47 2.07 1.56 -0.17 0.00 0.00 175.17 177.17 1fxr h GLN 8 N 9.60 0.00 -0.21 4.34 4.20 -1.87 -2.19 115.11 128.98 1fxr h GLN 8 Ca -0.28 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.49 1fxr h GLN 8 Cb 1.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 1fxr h GLN 8 CO 1.18 0.07 0.16 -0.44 -0.67 0.00 0.00 178.83 179.13 1fxr h ASP 9 N 0.00 0.00 0.00 1.46 3.32 -1.98 -2.92 116.42 116.30 1fxr h ASP 9 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1fxr h ASP 9 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1fxr h ASP 9 CO 0.01 0.00 -1.89 -0.62 -1.72 0.00 0.00 179.24 175.02 1fxr n GLU 10 N -4.34 0.61 -1.69 3.56 -0.58 -0.84 -4.97 120.64 112.38 1fxr n GLU 10 Ca 0.02 -0.18 -0.44 0.00 -0.42 0.00 0.00 57.16 56.14 1fxr n GLU 10 Cb 0.30 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.66 1fxr n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fxr n ILE 12 N 4.38 2.61 -1.58 0.00 -5.35 -1.26 -4.97 119.36 113.18 1fxr n ILE 12 Ca 0.18 -1.37 -0.05 0.00 -0.27 0.00 0.00 62.75 61.24 1fxr n ILE 12 Cb 0.34 -0.36 -0.02 0.00 -1.74 0.00 0.00 39.64 37.86 1fxr n ILE 12 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1fxr n ALA 13 N 0.17 -0.35 0.29 -1.28 0.00 -1.26 -4.86 120.51 113.23 1fxr n ALA 13 Ca 0.32 0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.97 1fxr n ALA 13 Cb 1.22 -0.75 0.70 0.00 0.00 0.00 0.00 19.45 20.62 1fxr n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fxr n GLU 15 N -2.95 -0.42 -0.17 0.00 1.02 -1.26 -4.91 120.64 111.94 1fxr n GLU 15 Ca -0.00 0.11 -0.02 0.00 -0.02 0.00 0.00 57.16 57.23 1fxr n GLU 15 Cb 0.51 -4.01 0.08 0.00 -0.02 0.00 0.00 31.44 27.99 1fxr n GLU 15 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1fxr h SER 16 N 0.00 0.00 -0.70 1.62 0.02 -1.98 -1.64 113.55 110.88 1fxr h SER 16 Ca 0.00 0.09 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 1fxr h SER 16 Cb 0.21 0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 1fxr h SER 16 CO 0.00 0.03 0.46 0.00 -1.14 0.00 0.00 176.83 176.18 1fxr h VAL 18 N 0.68 0.42 -0.11 0.00 -1.51 -1.71 -1.08 116.25 112.94 1fxr h VAL 18 Ca 0.31 -1.61 -0.13 0.00 -1.23 0.00 0.00 66.70 64.04 1fxr h VAL 18 Cb 0.33 2.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 1fxr h VAL 18 CO -0.10 0.24 -0.43 -0.33 -1.23 0.00 0.00 177.57 175.71 1fxr h GLU 19 N 0.00 0.49 -0.03 5.19 5.08 -0.63 -3.01 114.58 121.66 1fxr h GLU 19 Ca -0.01 -0.38 -0.09 0.00 -1.00 0.00 0.00 59.36 57.88 1fxr h GLU 19 Cb 1.20 0.07 0.01 0.00 0.50 0.00 0.00 28.75 30.53 1fxr h GLU 19 CO 0.03 1.01 -0.35 0.82 -1.00 0.00 0.00 179.01 179.52 1fxr h ILE 20 N 0.08 1.46 -2.24 3.13 2.04 -0.98 -3.41 117.51 117.60 1fxr h ILE 20 Ca -0.02 -1.86 -0.59 0.00 1.00 0.00 0.00 64.86 63.39 1fxr h ILE 20 Cb 1.07 2.52 -0.41 0.00 -0.74 0.00 0.00 36.82 39.26 1fxr h ILE 20 CO 0.09 0.53 -0.76 0.00 0.00 0.00 0.00 178.15 178.00 1fxr n ALA 21 N -2.53 3.45 0.30 1.87 0.00 -0.41 -4.97 120.51 118.23 1fxr n ALA 21 Ca -0.09 -4.25 0.19 0.00 0.00 0.00 0.00 53.44 49.29 1fxr n ALA 21 Cb 0.53 -0.88 0.84 0.00 0.00 0.00 0.00 19.45 19.94 1fxr n ALA 21 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1fxr h PRO 22 N 4.33 0.00 0.00 0.00 0.13 -1.72 -1.08 132.00 133.65 1fxr h PRO 22 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1fxr h PRO 22 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1fxr h PRO 22 CO 0.69 0.00 -0.26 0.78 -0.23 0.00 0.00 178.00 178.98 1fxr h GLY 23 N 1.45 0.00 0.00 1.56 0.00 -1.89 -3.37 103.07 100.82 1fxr h GLY 23 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1fxr h GLY 23 CO 0.00 0.00 -1.96 0.00 0.00 0.00 0.00 176.54 174.58 1fxr n ALA 24 N -1.89 1.65 -2.41 3.60 0.00 -0.69 -4.30 120.51 116.48 1fxr n ALA 24 Ca 0.04 -0.91 -0.29 0.00 0.00 0.00 0.00 53.44 52.28 1fxr n ALA 24 Cb 0.46 -0.03 -0.13 0.00 0.00 0.00 0.00 19.45 19.75 1fxr n ALA 24 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1fxr s PHE 25 N -2.34 2.36 0.06 0.00 0.40 -0.50 -0.77 117.98 117.20 1fxr s PHE 25 Ca -0.08 -0.36 -0.07 0.00 -0.60 0.00 0.00 56.93 55.82 1fxr s PHE 25 Cb 0.04 -1.29 -0.01 0.00 0.51 0.00 0.00 43.02 42.28 1fxr s PHE 25 CO 0.56 0.33 0.13 0.00 0.70 0.00 0.00 175.22 176.93 1fxr s ALA 26 N -1.05 -0.08 0.05 5.36 0.00 -0.88 -4.57 121.76 120.58 1fxr s ALA 26 Ca 0.15 -0.66 -0.24 0.00 0.00 0.00 0.00 51.96 51.21 1fxr s ALA 26 Cb -0.10 0.37 -0.06 0.00 0.00 0.00 0.00 23.12 23.33 1fxr s ALA 26 CO 0.06 -0.42 0.72 -1.64 0.00 0.00 0.00 175.76 174.47 1fxr s MET 27 N -3.43 4.45 -0.51 0.00 -1.94 -1.26 -1.74 119.30 114.86 1fxr s MET 27 Ca 0.02 0.98 -0.24 0.00 -1.71 0.00 0.00 55.69 54.74 1fxr s MET 27 Cb 0.03 -3.34 0.04 0.00 2.01 0.00 0.00 34.83 33.57 1fxr s MET 27 CO -0.09 0.35 0.90 0.34 -0.01 0.00 0.00 175.02 176.51 1fxr s ASP 28 N -0.25 6.38 0.49 3.03 -1.08 -0.00 -4.91 116.67 120.32 1fxr s ASP 28 Ca 0.36 -0.23 0.21 0.00 -0.52 0.00 0.00 52.55 52.37 1fxr s ASP 28 Cb -0.20 -2.42 1.23 0.00 -1.46 0.00 0.00 42.92 40.07 1fxr s ASP 28 CO 0.22 -1.12 2.04 1.55 0.52 0.00 0.00 175.17 178.37 1fxr h PRO 29 N 9.19 0.00 -0.44 4.34 0.13 -1.96 0.12 132.00 143.39 1fxr h PRO 29 Ca -0.25 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.82 1fxr h PRO 29 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 1fxr h PRO 29 CO 1.05 0.15 0.05 1.49 -0.23 0.00 0.00 178.00 180.50 1fxr h GLU 30 N 0.00 0.74 -0.01 0.86 4.81 -1.96 -3.24 114.58 115.77 1fxr h GLU 30 Ca -0.00 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1fxr h GLU 30 Cb 0.31 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1fxr h GLU 30 CO 0.02 0.78 -0.06 0.44 -0.73 0.00 0.00 179.01 179.46 1fxr n ILE 31 N -4.45 0.00 -4.01 2.32 -5.35 -1.04 -5.02 119.36 101.81 1fxr n ILE 31 Ca -0.00 -0.47 -0.43 0.00 -0.27 0.00 0.00 62.75 61.58 1fxr n ILE 31 Cb 0.26 1.19 0.02 0.00 -1.74 0.00 0.00 39.64 39.38 1fxr n ILE 31 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1fxr n GLU 32 N 0.36 -0.45 -4.18 6.28 1.02 0.40 -5.02 120.64 119.05 1fxr n GLU 32 Ca 0.06 0.18 -0.15 0.00 -0.02 0.00 0.00 57.16 57.22 1fxr n GLU 32 Cb 0.25 -2.63 -0.11 0.00 -0.02 0.00 0.00 31.44 28.93 1fxr n GLU 32 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1fxr s LYS 33 N -7.05 0.85 0.41 3.49 3.01 -1.21 -4.42 119.74 114.82 1fxr s LYS 33 Ca 0.44 -1.12 -0.11 0.00 -1.01 0.00 0.00 55.97 54.18 1fxr s LYS 33 Cb -0.24 -0.62 -0.06 0.00 -1.01 0.00 0.00 37.83 35.90 1fxr s LYS 33 CO 0.96 0.11 0.77 0.00 0.51 0.00 0.00 175.35 177.70 1fxr s ALA 34 N -2.16 3.35 0.18 5.17 0.00 -1.26 -0.82 121.76 126.21 1fxr s ALA 34 Ca 0.04 -0.20 -0.14 0.00 0.00 0.00 0.00 51.96 51.66 1fxr s ALA 34 Cb -0.05 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.38 1fxr s ALA 34 CO 0.01 -0.01 0.42 1.52 0.00 0.00 0.00 175.76 177.70 1fxr s TYR 35 N -2.37 0.07 -0.41 0.00 1.13 -0.71 -4.78 117.35 110.28 1fxr s TYR 35 Ca 0.51 -0.42 -0.24 0.00 -1.41 0.00 0.00 57.07 55.51 1fxr s TYR 35 Cb -0.10 0.21 0.02 0.00 -1.10 0.00 0.00 41.96 40.98 1fxr s TYR 35 CO 0.31 -0.82 0.82 0.08 -2.51 0.00 0.00 175.55 173.43 1fxr s VAL 36 N -3.90 4.65 -0.64 -3.49 1.01 -1.26 -2.08 120.40 114.69 1fxr s VAL 36 Ca 0.11 0.73 0.24 0.00 0.00 0.00 0.00 61.98 63.07 1fxr s VAL 36 Cb 0.01 -4.29 0.09 0.00 0.00 0.00 0.00 36.38 32.19 1fxr s VAL 36 CO -0.03 -0.60 1.39 0.07 0.00 0.00 0.00 175.10 175.93 1fxr h LYS 37 N 8.75 0.00 -0.83 2.72 2.10 -1.28 -3.45 116.57 124.58 1fxr h LYS 37 Ca -0.24 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.56 1fxr h LYS 37 Cb 1.09 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.20 1fxr h LYS 37 CO 0.95 0.00 -0.06 0.34 -2.00 0.00 0.00 179.45 178.68 1fxr s ASP 38 N -4.33 -0.95 0.56 7.07 2.15 -1.17 -5.02 116.67 114.98 1fxr s ASP 38 Ca 0.07 0.71 0.34 0.00 0.43 0.00 0.00 52.55 54.09 1fxr s ASP 38 Cb 0.13 1.84 1.65 0.00 -0.30 0.00 0.00 42.92 46.24 1fxr s ASP 38 CO 0.70 -0.18 2.11 1.62 -0.17 0.00 0.00 175.17 179.25 1fxr h VAL 39 N 5.70 0.24 -0.60 1.11 3.04 -1.87 -1.08 116.25 122.79 1fxr h VAL 39 Ca -0.18 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1fxr h VAL 39 Cb 1.16 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.77 1fxr h VAL 39 CO 0.10 0.06 0.00 -0.62 -1.01 0.00 0.00 177.57 176.10 1fxr n GLU 40 N -3.31 2.57 0.00 4.17 -0.58 -1.26 -4.61 120.64 117.62 1fxr n GLU 40 Ca -0.01 -2.42 0.00 0.00 -0.42 0.00 0.00 57.16 54.31 1fxr n GLU 40 Cb 0.23 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 1fxr n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1fxr n GLY 41 N 1.57 -0.07 3.45 0.62 0.00 -0.41 -4.79 105.19 105.57 1fxr n GLY 41 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 1fxr n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fxr s ALA 42 N -1.63 -1.65 0.81 4.61 0.00 -1.26 -2.72 121.76 119.92 1fxr s ALA 42 Ca 0.00 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 1fxr s ALA 42 Cb 0.00 0.76 0.08 0.00 0.00 0.00 0.00 23.12 23.96 1fxr s ALA 42 CO 0.00 -0.76 1.12 -1.54 0.00 0.00 0.00 175.76 174.59 1fxr s SER 43 N -2.68 4.41 0.29 0.00 1.04 -1.26 -4.84 113.70 110.66 1fxr s SER 43 Ca 0.02 1.10 0.00 0.00 0.48 0.00 0.00 55.95 57.55 1fxr s SER 43 Cb -0.01 -1.76 0.50 0.00 0.10 0.00 0.00 66.02 64.85 1fxr s SER 43 CO -0.11 -2.00 1.89 -0.61 0.98 0.00 0.00 173.24 173.39 1fxr h GLN 44 N -1.11 1.03 -0.42 4.02 4.15 -1.98 -1.11 115.11 119.69 1fxr h GLN 44 Ca -0.47 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 58.77 1fxr h GLN 44 Cb 1.29 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 1fxr h GLN 44 CO 0.62 0.68 -0.21 0.93 -1.93 0.00 0.00 178.83 178.93 1fxr h GLU 45 N 1.07 0.84 -0.28 1.69 4.39 -1.99 -1.24 114.58 119.05 1fxr h GLU 45 Ca 0.42 -0.34 -0.13 0.00 0.34 0.00 0.00 59.36 59.66 1fxr h GLU 45 Cb 0.25 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1fxr h GLU 45 CO -0.18 0.97 -0.35 1.49 -1.16 0.00 0.00 179.01 179.79 1fxr h GLU 46 N 0.73 0.63 -0.65 2.33 4.81 -1.72 -1.57 114.58 119.14 1fxr h GLU 46 Ca 0.10 -0.30 -0.07 0.00 -0.13 0.00 0.00 59.36 58.97 1fxr h GLU 46 Cb 0.74 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 1fxr h GLU 46 CO 0.06 0.89 0.14 0.28 -0.73 0.00 0.00 179.01 179.64 1fxr h VAL 47 N 0.53 1.26 -0.80 0.32 2.07 -0.94 -2.22 116.25 116.46 1fxr h VAL 47 Ca 0.06 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1fxr h VAL 47 Cb 0.85 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1fxr h VAL 47 CO 0.07 0.37 0.47 -0.33 0.02 0.00 0.00 177.57 178.17 1fxr h GLU 48 N 0.98 1.09 -0.52 1.57 5.08 -1.06 -0.13 114.58 121.59 1fxr h GLU 48 Ca 0.20 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 58.53 1fxr h GLU 48 Cb 0.39 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 1fxr h GLU 48 CO 0.01 0.78 0.21 1.49 -1.00 0.00 0.00 179.01 180.49 1fxr h GLU 49 N 1.10 0.39 -0.40 2.33 4.81 -0.91 0.64 114.58 122.54 1fxr h GLU 49 Ca 0.29 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.43 1fxr h GLU 49 Cb -0.03 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1fxr h GLU 49 CO -0.05 0.26 -0.00 0.00 -0.73 0.00 0.00 179.01 178.48 1fxr h ALA 50 N 1.34 0.54 -0.32 2.92 0.00 -0.79 -1.07 119.26 121.87 1fxr h ALA 50 Ca 0.25 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fxr h ALA 50 Cb 0.25 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1fxr h ALA 50 CO -0.24 0.32 0.20 0.52 0.00 0.00 0.00 179.25 180.05 1fxr h MET 51 N 0.53 0.42 -0.08 0.00 2.86 -0.63 -1.14 114.93 116.90 1fxr h MET 51 Ca 0.11 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.60 1fxr h MET 51 Cb 0.48 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1fxr h MET 51 CO 0.02 0.31 -0.46 -0.44 1.06 0.00 0.00 176.91 177.40 1fxr h ASP 52 N 0.41 0.22 1.08 1.22 3.32 -0.84 -2.93 116.42 118.90 1fxr h ASP 52 Ca 0.11 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1fxr h ASP 52 Cb -0.01 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1fxr h ASP 52 CO -0.02 0.65 -0.45 0.74 -1.72 0.00 0.00 179.24 178.44 1fxr h THR 53 N 0.17 0.91 -1.24 0.35 2.02 -0.99 -3.46 112.91 110.66 1fxr h THR 53 Ca 0.01 -1.85 -0.66 0.00 0.77 0.00 0.00 66.41 64.68 1fxr h THR 53 Cb 0.89 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 69.43 1fxr h THR 53 CO 0.07 0.44 1.40 0.00 0.37 0.00 0.00 175.52 177.79 1fxr h PRO 55 N 12.38 0.12 -0.53 0.00 0.13 -1.90 -1.20 132.00 141.00 1fxr h PRO 55 Ca -0.30 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1fxr h PRO 55 Cb 1.31 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1fxr h PRO 55 CO 1.01 0.08 0.00 1.33 -0.23 0.00 0.00 178.00 180.18 1fxr n VAL 56 N -4.37 1.23 -4.13 1.56 0.24 -1.26 -4.99 118.33 106.61 1fxr n VAL 56 Ca 0.16 -1.09 -0.28 0.00 -2.04 0.00 0.00 64.34 61.08 1fxr n VAL 56 Cb 0.77 0.39 -0.06 0.00 -1.47 0.00 0.00 33.84 33.47 1fxr n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fxr n GLN 57 N 0.95 -2.17 -0.16 7.34 1.13 -0.45 -4.88 117.38 119.14 1fxr n GLN 57 Ca 0.19 0.25 0.08 0.00 -1.94 0.00 0.00 57.00 55.59 1fxr n GLN 57 Cb 0.61 -4.08 0.17 0.00 0.11 0.00 0.00 30.24 27.04 1fxr n GLN 57 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fxr s ILE 59 N -1.15 5.29 0.18 0.00 1.01 -1.26 -0.10 121.20 125.16 1fxr s ILE 59 Ca 0.29 0.16 0.09 0.00 0.00 0.00 0.00 60.65 61.19 1fxr s ILE 59 Cb 0.17 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1fxr s ILE 59 CO 0.23 0.27 -0.18 -1.00 0.00 0.00 0.00 174.94 174.26 1fxr s HIS 60 N 1.61 1.85 0.46 3.97 3.76 -0.51 -4.94 115.29 121.49 1fxr s HIS 60 Ca 0.07 -0.47 -0.20 0.00 -0.15 0.00 0.00 55.06 54.31 1fxr s HIS 60 Cb -0.15 -0.91 -0.10 0.00 1.11 0.00 0.00 32.58 32.53 1fxr s HIS 60 CO 0.09 0.36 0.97 -1.58 -0.85 0.00 0.00 174.74 173.73 1fxr s TRP 61 N -2.15 3.32 -0.09 1.40 0.52 -1.26 -1.97 118.94 118.71 1fxr s TRP 61 Ca 0.17 1.57 -0.23 0.00 0.02 0.00 0.00 56.10 57.63 1fxr s TRP 61 Cb -0.05 -2.85 -0.03 0.00 -1.15 0.00 0.00 33.47 29.38 1fxr s TRP 61 CO 0.07 -0.24 0.69 -2.00 0.02 0.00 0.00 176.95 175.50 1fxr s GLU 62 N -3.41 4.40 0.00 4.98 2.56 -0.72 -3.18 118.70 123.33 1fxr s GLU 62 Ca 0.62 0.85 0.00 0.00 0.00 0.00 0.00 54.97 56.43 1fxr s GLU 62 Cb -0.10 -3.47 0.00 0.00 2.00 0.00 0.00 34.13 32.56 1fxr s GLU 62 CO 0.18 0.01 0.00 -0.25 -0.56 0.00 0.00 175.26 174.64 1fxr n ASP 63 N 4.00 0.00 0.00 -1.70 8.00 -1.26 -4.91 116.55 120.68 1fxr n ASP 63 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1fxr n ASP 63 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1fxr n ASP 63 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19