#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6m n ASP 2 N 0.00 0.72 0.00 -3.46 5.75 -1.26 -4.79 116.55 113.51 1f6m n ASP 2 Ca 0.00 -1.03 0.00 0.00 -0.01 0.00 0.00 54.79 53.75 1f6m n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1f6m n ASP 2 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1f6m n LYS 3 N -0.02 2.63 -1.56 0.11 5.02 -1.26 -5.11 118.16 117.97 1f6m n LYS 3 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1f6m n LYS 3 Cb 0.09 -0.22 0.01 0.00 -0.02 0.00 0.00 35.03 34.90 1f6m n LYS 3 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1f6m n ILE 4 N 0.00 2.38 -4.23 -0.18 2.08 -1.19 -4.54 119.36 113.68 1f6m n ILE 4 Ca 0.00 -0.50 -0.24 0.00 0.56 0.00 0.00 62.75 62.57 1f6m n ILE 4 Cb 0.00 -0.97 -0.17 0.00 -0.75 0.00 0.00 39.64 37.75 1f6m n ILE 4 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1f6m s ILE 5 N -1.36 0.87 -0.18 1.39 -1.09 -1.20 -4.96 121.20 114.68 1f6m s ILE 5 Ca 0.65 -0.28 -0.06 0.00 -2.23 0.00 0.00 60.65 58.73 1f6m s ILE 5 Cb -0.56 -0.86 -0.24 0.00 -1.58 0.00 0.00 42.46 39.23 1f6m s ILE 5 CO 0.56 0.31 3.39 1.41 -1.23 0.00 0.00 174.94 179.39 1f6m n HIS 6 N 4.26 0.26 -0.84 3.97 8.25 -1.26 -1.97 115.22 127.90 1f6m n HIS 6 Ca -0.20 -1.60 -0.29 0.00 -0.26 0.00 0.00 57.72 55.38 1f6m n HIS 6 Cb 0.51 -1.63 0.02 0.00 1.12 0.00 0.00 29.99 30.01 1f6m n HIS 6 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1f6m n LEU 7 N 2.66 -4.13 -4.25 2.41 4.77 -0.98 -4.93 117.00 112.54 1f6m n LEU 7 Ca 0.45 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 56.54 1f6m n LEU 7 Cb 0.80 -0.61 -0.10 0.00 -2.33 0.00 0.00 43.42 41.17 1f6m n LEU 7 CO 0.21 -4.41 -0.23 0.42 -1.33 0.00 0.00 177.39 172.05 1f6m s THR 8 N -1.56 0.20 0.44 -5.08 -4.23 -1.26 -4.41 115.64 99.74 1f6m s THR 8 Ca 0.35 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.06 1f6m s THR 8 Cb -0.22 -2.54 0.22 0.00 1.34 0.00 0.00 72.50 71.30 1f6m s THR 8 CO 0.60 0.00 2.02 0.44 -0.54 0.00 0.00 174.62 177.15 1f6m h ASP 9 N 2.49 0.00 0.07 3.99 3.45 -1.90 -3.18 116.42 121.34 1f6m h ASP 9 Ca -0.36 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.10 1f6m h ASP 9 Cb 1.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 1f6m h ASP 9 CO 0.55 0.16 -0.04 0.44 -1.57 0.00 0.00 179.24 178.78 1f6m h ASP 10 N 0.00 -0.08 -0.12 6.45 5.19 -2.00 -3.37 116.42 122.49 1f6m h ASP 10 Ca -0.00 -0.19 -0.47 0.00 -0.62 0.00 0.00 57.03 55.74 1f6m h ASP 10 Cb 0.33 0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.83 1f6m h ASP 10 CO 0.02 0.49 1.92 -1.54 -3.12 0.00 0.00 179.24 177.01 1f6m n SER 11 N -4.82 7.22 0.01 6.45 3.41 -1.20 -3.93 113.62 120.76 1f6m n SER 11 Ca -0.03 -2.60 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 1f6m n SER 11 Cb 0.13 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.61 1f6m n SER 11 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1f6m n PHE 12 N 2.91 -0.14 -0.31 7.33 7.35 -1.22 -4.24 117.46 129.14 1f6m n PHE 12 Ca 0.62 0.03 0.06 0.00 -0.76 0.00 0.00 57.45 57.39 1f6m n PHE 12 Cb 0.52 0.15 0.21 0.00 0.35 0.00 0.00 39.48 40.71 1f6m n PHE 12 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1f6m h ASP 13 N 0.00 0.69 0.03 -2.13 1.82 -1.82 0.13 116.42 115.13 1f6m h ASP 13 Ca 0.00 0.06 -0.21 0.00 -0.39 0.00 0.00 57.03 56.49 1f6m h ASP 13 Cb 0.58 -0.06 0.02 0.00 0.68 0.00 0.00 39.33 40.55 1f6m h ASP 13 CO 0.00 0.35 -0.85 0.71 -1.61 0.00 0.00 179.24 177.84 1f6m h THR 14 N 0.78 1.37 0.03 2.25 1.35 -1.86 -2.71 112.91 114.13 1f6m h THR 14 Ca 0.45 -2.22 -0.00 0.00 -0.55 0.00 0.00 66.41 64.09 1f6m h THR 14 Cb 0.51 2.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 1f6m h THR 14 CO -0.29 0.66 -0.01 0.44 -0.25 0.00 0.00 175.52 176.06 1f6m h ASP 15 N 0.09 -0.04 0.02 5.36 3.45 -1.58 -3.35 116.42 120.37 1f6m h ASP 15 Ca -0.11 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.35 1f6m h ASP 15 Cb 1.54 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 40.32 1f6m h ASP 15 CO 0.17 -0.01 -0.01 0.58 -1.57 0.00 0.00 179.24 178.40 1f6m h VAL 16 N -0.08 0.00 -0.62 -1.35 2.07 -1.21 -3.35 116.25 111.71 1f6m h VAL 16 Ca -0.00 -0.52 0.18 0.00 0.82 0.00 0.00 66.70 67.17 1f6m h VAL 16 Cb 0.03 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 1f6m h VAL 16 CO 0.01 0.00 0.87 0.25 0.02 0.00 0.00 177.57 178.71 1f6m h LEU 17 N -0.55 0.00 -6.39 2.57 5.85 -1.51 -2.76 115.31 112.52 1f6m h LEU 17 Ca -0.00 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.18 1f6m h LEU 17 Cb 0.02 0.00 -0.37 0.00 0.37 0.00 0.00 40.66 40.68 1f6m h LEU 17 CO 0.00 0.00 -0.87 -1.59 -0.34 0.00 0.00 178.44 175.65 1f6m s LYS 18 N -4.41 0.73 -0.30 1.25 -2.85 -1.02 -3.46 119.74 109.68 1f6m s LYS 18 Ca -0.03 -1.58 -0.08 0.00 -1.00 0.00 0.00 55.97 53.28 1f6m s LYS 18 Cb 0.12 -1.21 0.18 0.00 -2.06 0.00 0.00 37.83 34.86 1f6m s LYS 18 CO 0.42 -1.29 0.93 0.00 0.10 0.00 0.00 175.35 175.51 1f6m s ALA 19 N 0.69 -3.36 0.03 0.59 0.00 -1.20 -4.61 121.76 113.90 1f6m s ALA 19 Ca 0.25 1.40 -0.32 0.00 0.00 0.00 0.00 51.96 53.29 1f6m s ALA 19 Cb -0.10 -2.59 -0.10 0.00 0.00 0.00 0.00 23.12 20.33 1f6m s ALA 19 CO -0.08 -1.72 1.91 -0.40 0.00 0.00 0.00 175.76 175.46 1f6m n ASP 20 N 5.34 3.92 0.00 0.00 5.75 -1.26 -3.80 116.55 126.50 1f6m n ASP 20 Ca 0.01 0.95 0.00 0.00 -0.01 0.00 0.00 54.79 55.74 1f6m n ASP 20 Cb 0.55 -1.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.15 1f6m n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f6m n GLY 21 N 4.40 3.66 3.62 6.12 0.00 -1.26 -4.90 105.19 116.83 1f6m n GLY 21 Ca 0.20 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.08 1f6m n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f6m s ALA 22 N -2.26 3.59 -0.26 4.61 0.00 -1.25 -3.04 121.76 123.14 1f6m s ALA 22 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1f6m s ALA 22 Cb 0.00 -2.91 0.06 0.00 0.00 0.00 0.00 23.12 20.27 1f6m s ALA 22 CO 0.00 -0.77 -0.09 -1.50 0.00 0.00 0.00 175.76 173.40 1f6m s ILE 23 N 2.34 2.04 0.32 0.00 2.07 -1.06 -1.96 121.20 124.94 1f6m s ILE 23 Ca 0.22 -1.59 -0.28 0.00 -1.41 0.00 0.00 60.65 57.59 1f6m s ILE 23 Cb -0.16 -2.20 -0.09 0.00 0.13 0.00 0.00 42.46 40.14 1f6m s ILE 23 CO 0.09 -0.07 1.12 -0.22 -1.91 0.00 0.00 174.94 173.95 1f6m s LEU 24 N 1.15 4.43 -0.16 8.50 2.96 -1.09 -2.71 118.68 131.76 1f6m s LEU 24 Ca -0.07 2.28 0.00 0.00 -0.22 0.00 0.00 54.13 56.12 1f6m s LEU 24 Cb -0.20 -3.77 0.03 0.00 0.50 0.00 0.00 46.19 42.75 1f6m s LEU 24 CO -0.05 -0.30 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.86 1f6m s VAL 25 N -1.27 1.56 -0.75 1.68 1.01 0.20 -0.49 120.40 122.33 1f6m s VAL 25 Ca 0.49 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 1f6m s VAL 25 Cb -0.31 -1.53 0.18 0.00 0.00 0.00 0.00 36.38 34.72 1f6m s VAL 25 CO 0.40 0.35 0.73 -0.62 0.00 0.00 0.00 175.10 175.96 1f6m s ASP 26 N 1.47 6.56 -0.14 3.32 2.15 -1.04 -0.26 116.67 128.73 1f6m s ASP 26 Ca 0.03 -2.31 -0.29 0.00 0.43 0.00 0.00 52.55 50.41 1f6m s ASP 26 Cb -0.14 -2.24 -0.02 0.00 -0.30 0.00 0.00 42.92 40.22 1f6m s ASP 26 CO -0.10 -0.73 1.32 -0.36 -0.17 0.00 0.00 175.17 175.13 1f6m s PHE 27 N 0.96 2.73 0.29 -5.34 0.40 -0.69 -2.32 117.98 114.01 1f6m s PHE 27 Ca 0.15 0.89 0.05 0.00 -0.60 0.00 0.00 56.93 57.42 1f6m s PHE 27 Cb -0.16 -3.56 -0.02 0.00 0.51 0.00 0.00 43.02 39.79 1f6m s PHE 27 CO -0.05 -2.02 0.17 -2.67 0.70 0.00 0.00 175.22 171.35 1f6m n TRP 28 N 6.63 -0.25 -3.64 0.36 4.27 -0.82 -3.29 117.44 120.70 1f6m n TRP 28 Ca 0.14 -2.13 -0.05 0.00 -3.89 0.00 0.00 57.50 51.57 1f6m n TRP 28 Cb 0.45 0.11 -0.07 0.00 -1.36 0.00 0.00 31.31 30.44 1f6m n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1f6m s ALA 29 N -2.96 -2.01 0.65 -1.67 0.00 -1.26 -2.77 121.76 111.74 1f6m s ALA 29 Ca 0.24 2.36 0.17 0.00 0.00 0.00 0.00 51.96 54.73 1f6m s ALA 29 Cb 0.01 -1.53 0.89 0.00 0.00 0.00 0.00 23.12 22.49 1f6m s ALA 29 CO 0.17 -0.39 1.49 1.49 0.00 0.00 0.00 175.76 178.52 1f6m h GLU 30 N 6.74 0.00 0.00 0.00 4.57 -1.99 0.31 114.58 124.21 1f6m h GLU 30 Ca -0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1f6m h GLU 30 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1f6m h GLU 30 CO 0.17 0.00 -0.90 -2.67 -1.18 0.00 0.00 179.01 174.43 1f6m n TRP 31 N -2.84 0.26 -3.52 0.92 2.14 -1.26 -4.78 117.44 108.36 1f6m n TRP 31 Ca 0.02 0.08 -0.42 0.00 2.07 0.00 0.00 57.50 59.25 1f6m n TRP 31 Cb 0.76 -0.42 -0.10 0.00 -0.81 0.00 0.00 31.31 30.74 1f6m n TRP 31 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1f6m n GLY 33 N 5.06 -3.02 0.22 0.00 0.00 -1.26 -1.55 105.19 104.64 1f6m n GLY 33 Ca -0.11 0.42 0.06 0.00 0.00 0.00 0.00 46.02 46.39 1f6m n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f6m h PRO 34 N 0.00 0.00 0.70 1.61 0.13 -1.95 -1.37 132.00 131.13 1f6m h PRO 34 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1f6m h PRO 34 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1f6m h PRO 34 CO 0.00 0.00 -0.34 0.77 -0.23 0.00 0.00 178.00 178.20 1f6m h SER 35 N 0.00 -0.80 0.27 1.44 0.02 -1.58 -3.04 113.55 109.87 1f6m h SER 35 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1f6m h SER 35 Cb 1.02 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1f6m h SER 35 CO 0.00 -0.43 0.00 2.29 -1.14 0.00 0.00 176.83 177.55 1f6m n LYS 36 N -5.30 0.37 0.19 3.45 2.85 -0.54 -2.46 118.16 116.72 1f6m n LYS 36 Ca -0.12 0.08 0.13 0.00 -1.05 0.00 0.00 58.31 57.34 1f6m n LYS 36 Cb 0.37 -1.50 0.27 0.00 -0.65 0.00 0.00 35.03 33.52 1f6m n LYS 36 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 1f6m h MET 37 N 0.00 0.00 0.00 -1.58 4.05 -1.36 -3.18 114.93 112.85 1f6m h MET 37 Ca 0.00 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 1f6m h MET 37 Cb 0.13 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1f6m h MET 37 CO 0.00 0.00 -0.85 0.82 0.23 0.00 0.00 176.91 177.11 1f6m h ILE 38 N 0.00 0.27 -0.54 1.77 2.04 -1.53 -3.36 117.51 116.16 1f6m h ILE 38 Ca 0.00 -1.46 0.10 0.00 1.00 0.00 0.00 64.86 64.49 1f6m h ILE 38 Cb 0.89 1.88 -0.08 0.00 -0.74 0.00 0.00 36.82 38.77 1f6m h ILE 38 CO 0.00 0.16 0.09 0.00 0.00 0.00 0.00 178.15 178.39 1f6m h ALA 39 N 1.76 0.60 -0.82 1.87 0.00 -1.70 -0.09 119.26 120.88 1f6m h ALA 39 Ca -0.04 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1f6m h ALA 39 Cb 1.22 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.15 1f6m h ALA 39 CO 0.02 -0.33 0.47 -1.35 0.00 0.00 0.00 179.25 178.07 1f6m h PRO 40 N 0.21 1.13 -0.85 0.00 0.11 -1.76 -2.20 132.00 128.65 1f6m h PRO 40 Ca 0.28 -0.12 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 1f6m h PRO 40 Cb 0.40 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.24 1f6m h PRO 40 CO -0.38 0.81 0.42 0.82 -0.21 0.00 0.00 178.00 179.47 1f6m h ILE 41 N 1.13 1.26 -0.40 4.15 2.04 -1.45 -1.48 117.51 122.76 1f6m h ILE 41 Ca 0.29 -0.69 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1f6m h ILE 41 Cb -0.01 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 1f6m h ILE 41 CO -0.05 0.30 0.22 -0.07 0.00 0.00 0.00 178.15 178.55 1f6m h LEU 42 N 1.20 0.48 -0.16 1.44 3.38 -0.47 -0.92 115.31 120.26 1f6m h LEU 42 Ca 0.29 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 58.07 1f6m h LEU 42 Cb 0.09 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.72 1f6m h LEU 42 CO -0.04 0.39 -0.55 0.44 0.09 0.00 0.00 178.44 178.77 1f6m h ASP 43 N 0.56 0.75 0.53 -0.43 3.45 -0.83 0.56 116.42 121.01 1f6m h ASP 43 Ca 0.15 -0.61 0.00 0.00 0.43 0.00 0.00 57.03 57.00 1f6m h ASP 43 Cb 0.01 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.56 1f6m h ASP 43 CO -0.02 1.23 0.00 -0.33 -1.57 0.00 0.00 179.24 178.55 1f6m h GLU 44 N 0.32 0.00 0.08 3.56 5.08 -0.86 -2.52 114.58 120.24 1f6m h GLU 44 Ca -0.02 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.98 1f6m h GLU 44 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1f6m h GLU 44 CO 0.12 0.00 -1.99 -0.89 -1.00 0.00 0.00 179.01 175.25 1f6m n ILE 45 N -2.82 1.71 -0.35 3.13 2.08 -0.39 -4.46 119.36 118.26 1f6m n ILE 45 Ca -0.00 -0.69 0.02 0.00 0.56 0.00 0.00 62.75 62.63 1f6m n ILE 45 Cb 0.19 -1.50 0.08 0.00 -0.75 0.00 0.00 39.64 37.65 1f6m n ILE 45 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1f6m n ALA 46 N -2.91 0.02 0.25 -1.39 0.00 0.19 -1.69 120.51 114.99 1f6m n ALA 46 Ca -0.30 0.97 -0.13 0.00 0.00 0.00 0.00 53.44 53.98 1f6m n ALA 46 Cb 1.05 -0.50 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 1f6m n ALA 46 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1f6m h ASP 47 N 0.00 -0.57 -0.11 0.00 5.19 -1.79 -2.09 116.42 117.04 1f6m h ASP 47 Ca 0.37 -0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.76 1f6m h ASP 47 Cb 0.61 0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.26 1f6m h ASP 47 CO -0.94 -0.17 0.30 -0.33 -3.12 0.00 0.00 179.24 174.98 1f6m h GLU 48 N -1.07 0.00 -0.14 3.56 5.08 -1.69 -0.79 114.58 119.54 1f6m h GLU 48 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1f6m h GLU 48 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1f6m h GLU 48 CO 0.11 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.78 1f6m n TYR 49 N -3.22 0.25 -2.15 4.33 4.02 -0.68 -4.96 117.16 114.75 1f6m n TYR 49 Ca 0.00 -0.62 -0.38 0.00 -0.01 0.00 0.00 57.90 56.89 1f6m n TYR 49 Cb 0.39 -0.09 -0.03 0.00 -0.02 0.00 0.00 39.34 39.59 1f6m n TYR 49 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1f6m s GLN 50 N -1.51 2.75 0.00 -0.72 0.74 -0.30 -0.27 119.66 120.35 1f6m s GLN 50 Ca 0.17 0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.91 1f6m s GLN 50 Cb 0.12 -4.43 0.00 0.00 1.10 0.00 0.00 33.01 29.81 1f6m s GLN 50 CO 0.06 -2.66 0.00 0.41 -0.55 0.00 0.00 175.29 172.55 1f6m n GLY 51 N 5.76 1.12 0.00 2.59 0.00 -1.26 -4.89 105.19 108.51 1f6m n GLY 51 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1f6m n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f6m n LYS 52 N 0.00 1.17 -3.77 1.61 4.01 -0.68 -5.07 118.16 115.42 1f6m n LYS 52 Ca 0.00 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.69 1f6m n LYS 52 Cb 0.00 -0.90 -0.07 0.00 -0.51 0.00 0.00 35.03 33.55 1f6m n LYS 52 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1f6m s LEU 53 N -2.61 1.00 -0.30 -0.35 2.96 0.63 -4.16 118.68 115.84 1f6m s LEU 53 Ca 0.00 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.55 1f6m s LEU 53 Cb 0.00 1.30 0.10 0.00 0.50 0.00 0.00 46.19 48.09 1f6m s LEU 53 CO 0.00 -0.67 0.11 -0.89 -1.32 0.00 0.00 176.35 173.58 1f6m s THR 54 N -3.06 0.57 0.06 3.68 2.01 -0.83 -4.31 115.64 113.76 1f6m s THR 54 Ca -0.01 -1.20 -0.30 0.00 0.31 0.00 0.00 61.69 60.48 1f6m s THR 54 Cb 0.01 -1.45 -0.08 0.00 0.01 0.00 0.00 72.50 70.99 1f6m s THR 54 CO -0.07 -0.70 1.72 -0.69 -0.69 0.00 0.00 174.62 174.20 1f6m s VAL 55 N 1.77 3.03 -0.20 3.82 1.01 -1.26 -2.66 120.40 125.91 1f6m s VAL 55 Ca 0.10 0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 1f6m s VAL 55 Cb -0.17 -3.25 0.06 0.00 0.00 0.00 0.00 36.38 33.02 1f6m s VAL 55 CO -0.29 -0.01 0.01 0.00 0.00 0.00 0.00 175.10 174.81 1f6m s ALA 56 N 3.09 1.18 0.57 5.51 0.00 0.36 -3.15 121.76 129.33 1f6m s ALA 56 Ca 0.77 -0.80 -0.14 0.00 0.00 0.00 0.00 51.96 51.79 1f6m s ALA 56 Cb -0.40 -1.21 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 1f6m s ALA 56 CO 0.34 -1.13 1.02 0.15 0.00 0.00 0.00 175.76 176.13 1f6m s LYS 57 N 1.77 3.65 -0.15 0.00 1.02 -0.83 -2.50 119.74 122.70 1f6m s LYS 57 Ca -0.02 0.95 -0.04 0.00 0.02 0.00 0.00 55.97 56.88 1f6m s LYS 57 Cb -0.17 -2.09 0.07 0.00 -0.52 0.00 0.00 37.83 35.12 1f6m s LYS 57 CO -0.07 -0.53 0.24 -1.17 -0.92 0.00 0.00 175.35 172.90 1f6m s LEU 58 N -4.56 -0.24 -0.63 3.17 0.20 -0.98 -2.32 118.68 113.31 1f6m s LEU 58 Ca 0.59 0.35 -0.20 0.00 0.69 0.00 0.00 54.13 55.56 1f6m s LEU 58 Cb -0.12 0.59 0.10 0.00 -0.43 0.00 0.00 46.19 46.33 1f6m s LEU 58 CO 0.40 -0.26 0.81 0.21 -0.29 0.00 0.00 176.35 177.22 1f6m s ASN 59 N 2.39 6.21 0.01 3.68 3.04 -1.26 -1.95 114.94 127.06 1f6m s ASN 59 Ca 0.03 -1.35 0.15 0.00 0.04 0.00 0.00 52.86 51.74 1f6m s ASN 59 Cb -0.13 -2.34 0.66 0.00 -1.54 0.00 0.00 41.25 37.90 1f6m s ASN 59 CO -0.09 -1.21 1.49 2.30 -3.04 0.00 0.00 177.10 176.55 1f6m n ILE 60 N 5.63 0.95 0.28 -5.21 -5.35 -1.11 -1.25 119.36 113.29 1f6m n ILE 60 Ca -0.06 0.24 0.12 0.00 -0.27 0.00 0.00 62.75 62.78 1f6m n ILE 60 Cb 0.44 -0.98 0.79 0.00 -1.74 0.00 0.00 39.64 38.14 1f6m n ILE 60 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1f6m h ASP 61 N 0.00 0.00 0.00 7.28 1.82 -1.90 -2.83 116.42 120.79 1f6m h ASP 61 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1f6m h ASP 61 Cb 0.27 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.28 1f6m h ASP 61 CO 0.00 0.04 -0.44 0.00 -1.61 0.00 0.00 179.24 177.23 1f6m n GLN 62 N -3.99 0.14 -3.12 0.28 10.64 -0.89 -4.93 117.38 115.51 1f6m n GLN 62 Ca -0.03 -1.16 -0.16 0.00 -1.83 0.00 0.00 57.00 53.83 1f6m n GLN 62 Cb 0.13 -0.60 -0.05 0.00 -0.86 0.00 0.00 30.24 28.85 1f6m n GLN 62 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1f6m s ASN 63 N -1.18 0.12 -0.05 2.61 0.01 -0.38 -4.89 114.94 111.17 1f6m s ASN 63 Ca 0.03 -2.32 -0.20 0.00 -0.71 0.00 0.00 52.86 49.66 1f6m s ASN 63 Cb 0.03 0.69 -0.14 0.00 0.41 0.00 0.00 41.25 42.24 1f6m s ASN 63 CO 0.00 -0.13 0.83 1.55 -1.51 0.00 0.00 177.10 177.84 1f6m h PRO 64 N 5.53 -0.26 -0.33 -0.60 0.13 -1.85 -3.35 132.00 131.27 1f6m h PRO 64 Ca 0.16 0.02 0.03 0.00 -0.87 0.00 0.00 66.00 65.33 1f6m h PRO 64 Cb 1.01 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 1f6m h PRO 64 CO 0.20 0.11 -0.20 0.41 -0.23 0.00 0.00 178.00 178.29 1f6m n GLY 65 N 0.56 -1.30 0.02 1.56 0.00 -1.26 -2.93 105.19 101.83 1f6m n GLY 65 Ca -0.07 0.48 -0.00 0.00 0.00 0.00 0.00 46.02 46.42 1f6m n GLY 65 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1f6m h THR 66 N 0.00 0.00 -0.77 2.61 2.02 -1.90 -3.26 112.91 111.62 1f6m h THR 66 Ca 0.05 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.30 1f6m h THR 66 Cb 0.14 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.46 1f6m h THR 66 CO -0.31 0.00 -0.45 0.00 0.37 0.00 0.00 175.52 175.12 1f6m n ALA 67 N -2.82 -0.49 -0.24 6.16 0.00 -1.15 -1.64 120.51 120.34 1f6m n ALA 67 Ca -0.00 0.65 0.03 0.00 0.00 0.00 0.00 53.44 54.12 1f6m n ALA 67 Cb 0.01 -0.03 0.12 0.00 0.00 0.00 0.00 19.45 19.55 1f6m n ALA 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1f6m h PRO 68 N 0.00 0.06 -1.48 0.00 0.11 -1.69 -1.23 132.00 127.77 1f6m h PRO 68 Ca 0.12 -0.00 0.44 0.00 0.11 0.00 0.00 66.00 66.67 1f6m h PRO 68 Cb 0.31 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.33 1f6m h PRO 68 CO -0.72 0.04 1.03 0.87 -0.21 0.00 0.00 178.00 179.01 1f6m h LYS 69 N 0.06 0.06 -0.37 1.05 1.79 -1.35 0.79 116.57 118.60 1f6m h LYS 69 Ca 0.36 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1f6m h LYS 69 Cb 0.61 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1f6m h LYS 69 CO -0.65 0.04 0.00 0.66 -1.08 0.00 0.00 179.45 178.41 1f6m n TYR 70 N -4.28 0.62 -3.39 -1.35 4.02 -0.48 -4.98 117.16 107.32 1f6m n TYR 70 Ca 0.35 -0.57 -0.19 0.00 -0.01 0.00 0.00 57.90 57.48 1f6m n TYR 70 Cb 1.53 -0.08 0.07 0.00 -0.02 0.00 0.00 39.34 40.83 1f6m n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1f6m n GLY 71 N 0.45 -0.28 3.38 2.72 0.00 0.28 -4.95 105.19 106.79 1f6m n GLY 71 Ca 0.15 0.09 -0.45 0.00 0.00 0.00 0.00 46.02 45.81 1f6m n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f6m s ILE 72 N -3.27 4.91 -0.64 -0.61 1.01 -1.10 -4.89 121.20 116.62 1f6m s ILE 72 Ca 0.46 -1.32 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1f6m s ILE 72 Cb -0.20 -4.55 0.38 0.00 0.01 0.00 0.00 42.46 38.10 1f6m s ILE 72 CO 0.60 -1.19 1.48 0.54 0.00 0.00 0.00 174.94 176.37 1f6m n ARG 73 N 6.04 3.30 -3.62 2.79 3.00 -1.26 -4.65 116.66 122.26 1f6m n ARG 73 Ca 0.01 -4.19 -0.07 0.00 -0.01 0.00 0.00 57.85 53.59 1f6m n ARG 73 Cb 0.44 -2.27 -0.06 0.00 0.00 0.00 0.00 32.46 30.58 1f6m n ARG 73 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1f6m s GLY 74 N -2.49 -0.06 -0.06 -0.13 0.00 -1.26 -5.18 107.32 98.14 1f6m s GLY 74 Ca 0.49 2.59 -0.10 0.00 0.00 0.00 0.00 44.72 47.70 1f6m s GLY 74 CO -0.27 1.35 0.24 -0.26 0.00 0.00 0.00 173.10 174.17 1f6m s ILE 75 N -0.64 0.03 0.36 0.90 -4.36 -1.26 -4.10 121.20 112.13 1f6m s ILE 75 Ca 0.03 -0.24 -0.25 0.00 -0.26 0.00 0.00 60.65 59.93 1f6m s ILE 75 Cb -0.02 -0.43 -0.10 0.00 1.25 0.00 0.00 42.46 43.16 1f6m s ILE 75 CO -0.05 -0.13 0.96 -2.16 0.24 0.00 0.00 174.94 173.80 1f6m s PRO 76 N -0.48 4.44 -0.07 0.37 0.04 -1.26 -4.76 135.00 133.28 1f6m s PRO 76 Ca -0.06 1.30 0.02 0.00 0.04 0.00 0.00 61.00 62.30 1f6m s PRO 76 Cb -0.04 -2.61 0.02 0.00 0.04 0.00 0.00 34.50 31.91 1f6m s PRO 76 CO 0.01 0.15 -0.10 0.99 0.04 0.00 0.00 177.00 178.09 1f6m s THR 77 N -1.76 0.99 -0.17 1.26 2.01 -1.21 -0.21 115.64 116.56 1f6m s THR 77 Ca 0.54 -0.38 -0.07 0.00 0.31 0.00 0.00 61.69 62.09 1f6m s THR 77 Cb -0.17 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1f6m s THR 77 CO 0.22 0.33 0.05 -0.76 -0.69 0.00 0.00 174.62 173.77 1f6m s LEU 78 N 0.83 3.78 -0.20 4.42 1.43 0.70 -1.71 118.68 127.94 1f6m s LEU 78 Ca -0.12 0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1f6m s LEU 78 Cb -0.15 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.14 1f6m s LEU 78 CO 0.02 0.21 -0.14 -0.76 0.23 0.00 0.00 176.35 175.91 1f6m s LEU 79 N 0.16 2.52 -0.46 1.79 1.02 0.63 -1.20 118.68 123.15 1f6m s LEU 79 Ca 0.04 -0.63 -0.17 0.00 0.02 0.00 0.00 54.13 53.39 1f6m s LEU 79 Cb -0.12 -1.58 0.05 0.00 0.02 0.00 0.00 46.19 44.56 1f6m s LEU 79 CO 0.01 -0.03 0.45 -0.22 0.02 0.00 0.00 176.35 176.58 1f6m s LEU 80 N 1.34 5.17 0.29 1.79 2.96 0.16 0.58 118.68 130.97 1f6m s LEU 80 Ca 0.04 -0.97 -0.06 0.00 -0.22 0.00 0.00 54.13 52.91 1f6m s LEU 80 Cb -0.14 -2.30 -0.06 0.00 0.50 0.00 0.00 46.19 44.19 1f6m s LEU 80 CO -0.09 -0.65 0.58 -0.36 -1.32 0.00 0.00 176.35 174.51 1f6m s PHE 81 N 2.02 3.47 -0.31 5.38 0.08 -1.10 -1.11 117.98 126.40 1f6m s PHE 81 Ca 0.09 0.73 -0.01 0.00 0.12 0.00 0.00 56.93 57.86 1f6m s PHE 81 Cb -0.20 -2.17 0.13 0.00 -0.57 0.00 0.00 43.02 40.21 1f6m s PHE 81 CO 0.10 0.15 0.24 0.15 -0.10 0.00 0.00 175.22 175.77 1f6m s LYS 82 N -3.48 0.36 -0.73 0.44 1.02 -0.31 -2.57 119.74 114.48 1f6m s LYS 82 Ca 0.45 -0.57 -0.01 0.00 0.02 0.00 0.00 55.97 55.87 1f6m s LYS 82 Cb -0.11 -0.93 -0.01 0.00 -0.52 0.00 0.00 37.83 36.27 1f6m s LYS 82 CO 0.29 -1.08 0.61 0.09 -0.92 0.00 0.00 175.35 174.34 1f6m n ASN 83 N 4.93 -2.52 -3.51 2.83 3.02 -1.17 -3.61 115.26 115.23 1f6m n ASN 83 Ca 0.01 -0.39 -0.24 0.00 -0.03 0.00 0.00 54.58 53.93 1f6m n ASN 83 Cb 0.43 -3.37 0.05 0.00 -0.61 0.00 0.00 39.78 36.28 1f6m n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f6m n GLY 84 N -1.12 -1.08 3.60 7.41 0.00 -1.04 -4.78 105.19 108.17 1f6m n GLY 84 Ca -0.16 0.50 -0.01 0.00 0.00 0.00 0.00 46.02 46.36 1f6m n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1f6m s GLU 85 N -5.22 0.53 -0.13 1.61 2.56 -1.24 -4.80 118.70 112.01 1f6m s GLU 85 Ca 0.41 1.28 -0.29 0.00 0.00 0.00 0.00 54.97 56.36 1f6m s GLU 85 Cb -0.12 0.71 -0.05 0.00 2.00 0.00 0.00 34.13 36.67 1f6m s GLU 85 CO 0.82 -0.17 1.78 0.08 -0.56 0.00 0.00 175.26 177.20 1f6m s VAL 86 N 2.66 3.44 -0.08 3.70 1.01 -1.26 -1.16 120.40 128.70 1f6m s VAL 86 Ca -0.06 0.51 0.15 0.00 0.00 0.00 0.00 61.98 62.59 1f6m s VAL 86 Cb -0.10 -3.42 -0.23 0.00 0.00 0.00 0.00 36.38 32.64 1f6m s VAL 86 CO -0.19 -0.14 0.22 0.00 0.00 0.00 0.00 175.10 174.99 1f6m n ALA 87 N 8.41 2.15 -3.58 5.51 0.00 -0.27 -4.95 120.51 127.78 1f6m n ALA 87 Ca 0.20 -0.69 -0.12 0.00 0.00 0.00 0.00 53.44 52.84 1f6m n ALA 87 Cb 0.44 -0.34 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 1f6m n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f6m s ALA 88 N -2.79 -1.91 -0.00 0.00 0.00 -1.13 -5.00 121.76 110.93 1f6m s ALA 88 Ca -0.07 1.59 -0.01 0.00 0.00 0.00 0.00 51.96 53.47 1f6m s ALA 88 Cb 0.08 -0.70 -0.00 0.00 0.00 0.00 0.00 23.12 22.49 1f6m s ALA 88 CO 0.66 -0.31 0.02 0.95 0.00 0.00 0.00 175.76 177.08 1f6m s THR 89 N -0.92 0.04 -0.06 0.00 -4.23 -1.26 0.35 115.64 109.56 1f6m s THR 89 Ca -0.03 -0.30 0.04 0.00 -1.18 0.00 0.00 61.69 60.22 1f6m s THR 89 Cb -0.01 -0.13 0.00 0.00 1.34 0.00 0.00 72.50 73.70 1f6m s THR 89 CO 0.02 -0.17 -0.18 -0.75 -0.54 0.00 0.00 174.62 173.00 1f6m s LYS 90 N -0.49 2.10 0.03 3.99 2.36 -0.34 -4.94 119.74 122.44 1f6m s LYS 90 Ca -0.06 -0.64 0.04 0.00 -2.55 0.00 0.00 55.97 52.76 1f6m s LYS 90 Cb -0.03 -1.73 -0.04 0.00 -1.05 0.00 0.00 37.83 34.98 1f6m s LYS 90 CO -0.00 0.19 -0.05 0.08 1.55 0.00 0.00 175.35 177.12 1f6m s VAL 91 N 0.25 3.78 0.00 4.02 1.01 -1.26 -0.21 120.40 127.99 1f6m s VAL 91 Ca -0.10 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1f6m s VAL 91 Cb -0.14 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1f6m s VAL 91 CO 0.04 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1f6m n GLY 92 N 1.28 -1.13 3.76 4.51 0.00 0.71 -4.95 105.19 109.37 1f6m n GLY 92 Ca -0.14 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 1f6m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f6m s ALA 93 N -1.19 1.66 0.05 4.61 0.00 -1.26 -4.74 121.76 120.88 1f6m s ALA 93 Ca 0.00 -0.44 -0.28 0.00 0.00 0.00 0.00 51.96 51.24 1f6m s ALA 93 Cb 0.00 -3.06 0.10 0.00 0.00 0.00 0.00 23.12 20.16 1f6m s ALA 93 CO 0.00 -2.33 1.16 -0.48 0.00 0.00 0.00 175.76 174.11 1f6m s LEU 94 N -6.09 -0.10 0.38 0.00 0.05 -1.26 -5.13 118.68 106.53 1f6m s LEU 94 Ca 0.64 -0.24 -0.01 0.00 0.05 0.00 0.00 54.13 54.56 1f6m s LEU 94 Cb -0.16 1.68 -0.03 0.00 -2.05 0.00 0.00 46.19 45.63 1f6m s LEU 94 CO 0.54 -0.53 0.61 -0.94 -0.55 0.00 0.00 176.35 175.48 1f6m s SER 95 N -2.99 6.28 0.40 1.48 1.04 -1.26 -4.93 113.70 113.72 1f6m s SER 95 Ca 0.14 0.57 0.16 0.00 0.48 0.00 0.00 55.95 57.30 1f6m s SER 95 Cb 0.02 -2.08 1.04 0.00 0.10 0.00 0.00 66.02 65.10 1f6m s SER 95 CO -0.01 -0.37 1.82 0.50 0.98 0.00 0.00 173.24 176.16 1f6m h LYS 96 N 0.61 0.45 -0.15 4.02 3.64 -1.99 0.14 116.57 123.30 1f6m h LYS 96 Ca -0.49 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 58.71 1f6m h LYS 96 Cb 1.22 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1f6m h LYS 96 CO 0.61 0.29 -0.56 0.78 -2.27 0.00 0.00 179.45 178.31 1f6m h GLY 97 N 0.46 0.49 2.00 5.01 0.00 -1.98 -1.02 103.07 108.03 1f6m h GLY 97 Ca 0.52 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 1f6m h GLY 97 CO -0.23 0.52 -0.47 1.46 0.00 0.00 0.00 176.54 177.81 1f6m h GLN 98 N 0.34 0.00 0.14 4.80 4.20 -1.16 -1.05 115.11 122.39 1f6m h GLN 98 Ca 0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 1f6m h GLN 98 Cb 1.08 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.89 1f6m h GLN 98 CO 0.10 0.47 -1.29 1.25 -0.67 0.00 0.00 178.83 178.70 1f6m h LEU 99 N 0.00 0.85 -1.15 1.46 5.85 -1.05 -2.18 115.31 119.08 1f6m h LEU 99 Ca -0.00 -0.81 -0.07 0.00 0.84 0.00 0.00 57.88 57.84 1f6m h LEU 99 Cb 1.08 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1f6m h LEU 99 CO 0.06 1.61 -0.35 0.11 -0.34 0.00 0.00 178.44 179.53 1f6m h LYS 100 N 0.24 0.00 -0.13 1.25 1.57 -1.08 0.03 116.57 118.45 1f6m h LYS 100 Ca -0.20 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.42 1f6m h LYS 100 Cb 1.96 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.27 1f6m h LYS 100 CO 0.24 0.35 -0.60 1.49 -0.57 0.00 0.00 179.45 180.36 1f6m h GLU 101 N 0.00 0.43 -0.08 3.15 4.81 -1.17 -0.88 114.58 120.84 1f6m h GLU 101 Ca -0.00 -0.29 -0.07 0.00 -0.13 0.00 0.00 59.36 58.87 1f6m h GLU 101 Cb 0.77 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1f6m h GLU 101 CO 0.05 0.90 -0.22 0.35 -0.73 0.00 0.00 179.01 179.36 1f6m h PHE 102 N 0.32 0.37 -0.32 0.92 3.04 -0.68 -2.23 116.94 118.36 1f6m h PHE 102 Ca -0.01 -0.15 -0.07 0.00 3.98 0.00 0.00 57.97 61.73 1f6m h PHE 102 Cb 1.14 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.58 1f6m h PHE 102 CO 0.04 0.83 -0.08 -0.07 -2.02 0.00 0.00 178.31 177.01 1f6m h LEU 103 N -0.19 0.62 -1.70 0.59 3.38 -1.03 -2.75 115.31 114.23 1f6m h LEU 103 Ca -0.00 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 1f6m h LEU 103 Cb 0.83 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1f6m h LEU 103 CO 0.05 0.84 -0.16 0.44 0.09 0.00 0.00 178.44 179.70 1f6m h ASP 104 N 0.39 0.00 -0.18 -0.43 5.19 -1.24 0.68 116.42 120.83 1f6m h ASP 104 Ca 0.08 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.34 1f6m h ASP 104 Cb 0.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.08 1f6m h ASP 104 CO 0.03 0.16 -0.47 0.00 -3.12 0.00 0.00 179.24 175.85 1f6m h ALA 105 N 1.84 0.30 -0.83 3.45 0.00 -1.16 -3.37 119.26 119.49 1f6m h ALA 105 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1f6m h ALA 105 Cb 0.44 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1f6m h ALA 105 CO 0.02 0.45 0.00 0.09 0.00 0.00 0.00 179.25 179.81 1f6m n ASN 106 N -4.20 0.00 0.26 0.00 3.02 -1.06 -4.67 115.26 108.61 1f6m n ASN 106 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1f6m n ASN 106 Cb 0.58 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1f6m n ASN 106 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1f6m n LEU 107 N -2.22 0.00 -0.29 3.41 7.94 0.21 -5.09 117.00 120.97 1f6m n LEU 107 Ca 0.00 0.39 0.15 0.00 -1.11 0.00 0.00 56.01 55.43 1f6m n LEU 107 Cb 0.00 0.00 0.69 0.00 0.53 0.00 0.00 43.42 44.64 1f6m n LEU 107 CO 0.00 -0.39 0.96 0.00 -1.11 0.00 0.00 177.39 176.86