#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f5w s LEU 20 N 0.00 -0.24 0.01 1.04 0.20 -1.26 -3.34 118.68 115.08 1f5w s LEU 20 Ca 0.00 0.41 0.05 0.00 0.69 0.00 0.00 54.13 55.28 1f5w s LEU 20 Cb 0.00 1.50 -0.02 0.00 -0.43 0.00 0.00 46.19 47.25 1f5w s LEU 20 CO 0.00 -0.12 -0.15 -0.94 -0.29 0.00 0.00 176.35 174.85 1f5w s SER 21 N -0.23 1.81 -0.34 3.68 1.04 -0.69 -4.60 113.70 114.37 1f5w s SER 21 Ca 0.05 -0.35 -0.15 0.00 0.48 0.00 0.00 55.95 55.98 1f5w s SER 21 Cb -0.04 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.90 1f5w s SER 21 CO -0.08 0.14 0.35 -0.63 0.98 0.00 0.00 173.24 173.99 1f5w s ILE 22 N -0.54 5.18 -0.35 -1.02 1.01 -1.26 -0.78 121.20 123.44 1f5w s ILE 22 Ca 0.05 -0.00 0.21 0.00 0.00 0.00 0.00 60.65 60.91 1f5w s ILE 22 Cb -0.07 -3.81 0.23 0.00 0.01 0.00 0.00 42.46 38.82 1f5w s ILE 22 CO 0.00 -0.09 1.48 0.71 0.00 0.00 0.00 174.94 177.04 1f5w h THR 23 N 5.54 0.18 -3.85 2.92 1.35 -1.25 -3.45 112.91 114.35 1f5w h THR 23 Ca -0.30 -1.26 -0.52 0.00 -0.55 0.00 0.00 66.41 63.77 1f5w h THR 23 Cb 1.14 2.02 0.07 0.00 -1.73 0.00 0.00 68.15 69.65 1f5w h THR 23 CO 0.69 0.10 0.66 -0.89 -0.25 0.00 0.00 175.52 175.83 1f5w s THR 24 N -3.17 2.65 0.46 6.82 2.01 -1.24 -5.00 115.64 118.16 1f5w s THR 24 Ca 0.05 0.64 -0.12 0.00 0.31 0.00 0.00 61.69 62.58 1f5w s THR 24 Cb 0.06 -3.41 -0.06 0.00 0.01 0.00 0.00 72.50 69.10 1f5w s THR 24 CO 0.70 0.15 0.86 -2.16 -0.69 0.00 0.00 174.62 173.48 1f5w s PRO 25 N -1.73 3.80 0.23 4.92 0.04 -1.26 -4.96 135.00 136.04 1f5w s PRO 25 Ca 0.50 0.62 -0.31 0.00 0.04 0.00 0.00 61.00 61.85 1f5w s PRO 25 Cb -0.41 -2.28 -0.11 0.00 0.04 0.00 0.00 34.50 31.74 1f5w s PRO 25 CO 0.53 -0.17 1.58 -2.00 0.04 0.00 0.00 177.00 176.99 1f5w s GLU 26 N -4.10 4.18 0.25 4.56 2.12 -1.26 -4.95 118.70 119.50 1f5w s GLU 26 Ca 0.54 2.46 -0.17 0.00 0.36 0.00 0.00 54.97 58.16 1f5w s GLU 26 Cb -0.10 -3.09 0.01 0.00 0.26 0.00 0.00 34.13 31.21 1f5w s GLU 26 CO 0.34 -0.60 0.57 -1.83 -0.54 0.00 0.00 175.26 173.19 1f5w s GLU 27 N 0.39 1.59 -0.20 4.30 -1.05 -1.24 -5.05 118.70 117.43 1f5w s GLU 27 Ca 0.67 -1.08 -0.03 0.00 -0.15 0.00 0.00 54.97 54.38 1f5w s GLU 27 Cb -0.46 0.53 -0.01 0.00 -0.44 0.00 0.00 34.13 33.75 1f5w s GLU 27 CO 0.38 -0.69 -0.06 1.41 0.95 0.00 0.00 175.26 177.25 1f5w s MET 28 N -3.95 3.38 -0.20 -4.83 -2.45 -1.26 -1.00 119.30 108.98 1f5w s MET 28 Ca 0.16 -0.64 -0.09 0.00 -1.25 0.00 0.00 55.69 53.87 1f5w s MET 28 Cb -0.02 -2.93 -0.05 0.00 1.25 0.00 0.00 34.83 33.08 1f5w s MET 28 CO 0.06 -0.11 0.12 0.42 1.05 0.00 0.00 175.02 176.55 1f5w s ILE 29 N 1.23 5.24 -0.14 10.11 -1.09 0.61 -4.96 121.20 132.20 1f5w s ILE 29 Ca 0.03 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.58 1f5w s ILE 29 Cb -0.14 -3.39 0.02 0.00 -1.58 0.00 0.00 42.46 37.37 1f5w s ILE 29 CO -0.02 0.43 -0.13 -0.70 -1.23 0.00 0.00 174.94 173.29 1f5w s GLU 30 N 0.45 2.15 0.09 2.79 2.12 -1.26 -1.19 118.70 123.84 1f5w s GLU 30 Ca 0.07 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 54.90 1f5w s GLU 30 Cb -0.12 -2.01 -0.04 0.00 0.26 0.00 0.00 34.13 32.23 1f5w s GLU 30 CO -0.01 -0.24 -0.02 0.15 -0.54 0.00 0.00 175.26 174.59 1f5w s LYS 31 N 1.53 0.78 0.37 4.30 -0.14 -0.65 -5.01 119.74 120.91 1f5w s LYS 31 Ca 0.05 -1.32 -0.17 0.00 -1.36 0.00 0.00 55.97 53.17 1f5w s LYS 31 Cb -0.13 0.04 -0.09 0.00 -1.68 0.00 0.00 37.83 35.97 1f5w s LYS 31 CO -0.10 -0.11 0.81 0.00 -0.76 0.00 0.00 175.35 175.19 1f5w s ALA 32 N -3.82 3.23 0.25 5.17 0.00 -1.26 -0.34 121.76 124.99 1f5w s ALA 32 Ca 0.13 0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.92 1f5w s ALA 32 Cb 0.07 -2.89 -0.14 0.00 0.00 0.00 0.00 23.12 20.16 1f5w s ALA 32 CO -0.05 0.24 1.21 1.17 0.00 0.00 0.00 175.76 178.32 1f5w n LYS 33 N -0.54 1.60 0.00 0.00 4.81 -0.02 -1.40 118.16 122.61 1f5w n LYS 33 Ca 0.05 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 1f5w n LYS 33 Cb 0.53 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.50 1f5w n LYS 33 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1f5w n GLY 34 N 1.69 2.36 3.47 3.14 0.00 0.63 -4.88 105.19 111.61 1f5w n GLY 34 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1f5w n GLY 34 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1f5w n GLU 35 N -2.00 -0.62 -4.35 1.61 1.02 -0.49 -4.20 120.64 111.61 1f5w n GLU 35 Ca 0.00 -2.13 -0.34 0.00 -0.02 0.00 0.00 57.16 54.67 1f5w n GLU 35 Cb 0.00 -0.92 -0.11 0.00 -0.02 0.00 0.00 31.44 30.39 1f5w n GLU 35 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1f5w s THR 36 N -3.19 4.06 -0.22 2.62 2.01 -1.26 -0.97 115.64 118.69 1f5w s THR 36 Ca 0.64 -0.30 -0.10 0.00 0.31 0.00 0.00 61.69 62.23 1f5w s THR 36 Cb -0.03 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 1f5w s THR 36 CO 0.43 0.50 0.14 0.00 -0.69 0.00 0.00 174.62 175.01 1f5w s ALA 37 N 0.19 3.60 -0.22 7.40 0.00 0.13 -4.93 121.76 127.92 1f5w s ALA 37 Ca -0.01 -0.83 -0.15 0.00 0.00 0.00 0.00 51.96 50.98 1f5w s ALA 37 Cb -0.13 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 1f5w s ALA 37 CO 0.02 -0.06 0.37 -0.47 0.00 0.00 0.00 175.76 175.62 1f5w s TYR 38 N 0.81 3.33 -0.36 0.00 5.04 -1.26 -0.12 117.35 124.79 1f5w s TYR 38 Ca 0.07 0.52 -0.02 0.00 -2.44 0.00 0.00 57.07 55.20 1f5w s TYR 38 Cb -0.13 -2.51 0.08 0.00 0.35 0.00 0.00 41.96 39.75 1f5w s TYR 38 CO 0.02 -0.06 0.11 -0.51 -1.34 0.00 0.00 175.55 173.77 1f5w s LEU 39 N 1.48 4.64 0.44 6.97 1.43 0.11 -5.01 118.68 128.75 1f5w s LEU 39 Ca 0.17 -1.69 -0.22 0.00 -1.03 0.00 0.00 54.13 51.36 1f5w s LEU 39 Cb -0.15 -1.77 -0.09 0.00 0.03 0.00 0.00 46.19 44.21 1f5w s LEU 39 CO 0.08 -0.41 1.02 -2.16 0.23 0.00 0.00 176.35 175.11 1f5w s PRO 40 N 1.18 4.02 -0.35 1.29 0.04 -1.26 -1.71 135.00 138.20 1f5w s PRO 40 Ca 0.03 1.37 0.05 0.00 0.04 0.00 0.00 61.00 62.49 1f5w s PRO 40 Cb -0.21 -2.28 0.18 0.00 0.04 0.00 0.00 34.50 32.23 1f5w s PRO 40 CO -0.03 -0.25 0.53 0.00 0.04 0.00 0.00 177.00 177.29 1f5w s LYS 42 N 2.10 2.72 0.06 0.00 1.02 -1.26 -0.25 119.74 124.13 1f5w s LYS 42 Ca 0.14 -0.59 0.00 0.00 0.02 0.00 0.00 55.97 55.53 1f5w s LYS 42 Cb -0.09 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1f5w s LYS 42 CO -0.15 0.64 -0.04 -0.59 -0.92 0.00 0.00 175.35 174.29 1f5w s PHE 43 N -0.91 0.59 0.16 3.18 -0.71 -0.18 -0.65 117.98 119.45 1f5w s PHE 43 Ca 0.15 -0.92 0.08 0.00 -1.04 0.00 0.00 56.93 55.20 1f5w s PHE 43 Cb -0.11 -0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 41.26 1f5w s PHE 43 CO 0.05 -0.27 -0.19 0.95 -1.34 0.00 0.00 175.22 174.41 1f5w s THR 44 N -3.35 1.80 0.12 -4.49 -4.23 0.04 -4.54 115.64 101.00 1f5w s THR 44 Ca 0.04 -1.86 0.06 0.00 -1.18 0.00 0.00 61.69 58.75 1f5w s THR 44 Cb 0.04 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.04 1f5w s THR 44 CO -0.07 -0.28 -0.02 -0.76 -0.54 0.00 0.00 174.62 172.96 1f5w s LEU 45 N -2.55 3.33 0.42 4.79 1.43 -1.26 -1.71 118.68 123.12 1f5w s LEU 45 Ca 0.14 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1f5w s LEU 45 Cb -0.06 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 1f5w s LEU 45 CO 0.06 0.15 0.63 -0.94 0.23 0.00 0.00 176.35 176.48 1f5w s SER 46 N -2.50 5.89 0.50 2.29 1.04 -1.21 -4.98 113.70 114.74 1f5w s SER 46 Ca 0.25 0.22 0.17 0.00 0.48 0.00 0.00 55.95 57.07 1f5w s SER 46 Cb -0.11 -1.53 1.23 0.00 0.10 0.00 0.00 66.02 65.71 1f5w s SER 46 CO 0.17 -0.62 2.10 -0.65 0.98 0.00 0.00 173.24 175.22 1f5w h PRO 47 N 0.51 0.10 -0.00 4.02 0.11 -2.00 -1.95 132.00 132.78 1f5w h PRO 47 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1f5w h PRO 47 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1f5w h PRO 47 CO 0.57 0.06 -0.01 -0.85 -0.21 0.00 0.00 178.00 177.56 1f5w n GLU 48 N -4.50 0.95 -2.42 1.05 0.00 -1.26 -4.59 120.64 109.89 1f5w n GLU 48 Ca 0.01 -0.12 -0.43 0.00 0.00 0.00 0.00 57.16 56.63 1f5w n GLU 48 Cb 0.21 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.15 1f5w n GLU 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1f5w n ASP 49 N -0.92 4.74 -0.19 -1.84 8.00 -0.73 -4.12 116.55 121.48 1f5w n ASP 49 Ca 0.21 -2.93 0.08 0.00 0.71 0.00 0.00 54.79 52.87 1f5w n ASP 49 Cb 0.17 -1.68 -0.05 0.00 -0.02 0.00 0.00 41.12 39.55 1f5w n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f5w n GLN 50 N 7.04 1.70 -1.06 -1.24 6.02 -0.83 -4.82 117.38 124.18 1f5w n GLN 50 Ca 0.47 -0.42 -0.19 0.00 -0.01 0.00 0.00 57.00 56.85 1f5w n GLN 50 Cb 0.43 -1.27 0.14 0.00 1.02 0.00 0.00 30.24 30.55 1f5w n GLN 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1f5w n GLY 51 N 1.28 -1.70 3.75 1.08 0.00 0.01 -4.93 105.19 104.68 1f5w n GLY 51 Ca 0.05 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 1f5w n GLY 51 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1f5w s PRO 52 N -4.77 4.45 0.20 1.61 0.04 -1.26 -4.37 135.00 130.89 1f5w s PRO 52 Ca 0.47 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 63.21 1f5w s PRO 52 Cb -0.02 -3.18 -0.09 0.00 0.04 0.00 0.00 34.50 31.25 1f5w s PRO 52 CO 0.34 -0.13 1.32 -1.17 0.04 0.00 0.00 177.00 177.39 1f5w s LEU 53 N -0.67 4.41 -0.05 -3.56 2.96 -1.26 -4.21 118.68 116.30 1f5w s LEU 53 Ca 0.52 2.41 -0.01 0.00 -0.22 0.00 0.00 54.13 56.83 1f5w s LEU 53 Cb -0.35 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 42.75 1f5w s LEU 53 CO 0.41 -0.54 0.02 -0.62 -1.32 0.00 0.00 176.35 174.31 1f5w s ASP 54 N 0.37 1.02 -0.04 3.68 -1.08 -0.06 -4.42 116.67 116.14 1f5w s ASP 54 Ca 0.57 -0.00 0.03 0.00 -0.52 0.00 0.00 52.55 52.63 1f5w s ASP 54 Cb -0.37 -0.25 0.00 0.00 -1.46 0.00 0.00 42.92 40.85 1f5w s ASP 54 CO 0.38 -0.18 -0.11 -0.63 0.52 0.00 0.00 175.17 175.14 1f5w s ILE 55 N 1.73 0.99 0.05 4.11 1.01 -0.28 -0.36 121.20 128.45 1f5w s ILE 55 Ca 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.22 1f5w s ILE 55 Cb -0.13 -0.89 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 1f5w s ILE 55 CO -0.03 0.31 -0.08 -1.61 0.00 0.00 0.00 174.94 173.53 1f5w s GLU 56 N 0.30 0.57 0.01 2.79 2.02 -0.28 0.02 118.70 124.12 1f5w s GLU 56 Ca -0.06 -0.84 0.08 0.00 0.02 0.00 0.00 54.97 54.17 1f5w s GLU 56 Cb -0.11 -0.28 -0.02 0.00 0.10 0.00 0.00 34.13 33.81 1f5w s GLU 56 CO 0.02 0.04 -0.23 -1.58 0.02 0.00 0.00 175.26 173.52 1f5w s TRP 57 N -1.68 2.09 0.16 1.61 0.52 -0.74 -0.31 118.94 120.58 1f5w s TRP 57 Ca -0.07 -0.39 0.11 0.00 0.02 0.00 0.00 56.10 55.77 1f5w s TRP 57 Cb -0.08 -1.31 -0.04 0.00 -1.15 0.00 0.00 33.47 30.89 1f5w s TRP 57 CO -0.00 0.02 -0.25 -0.51 0.02 0.00 0.00 176.95 176.22 1f5w s LEU 58 N -0.79 2.38 -0.02 2.99 1.43 -0.26 -1.41 118.68 123.00 1f5w s LEU 58 Ca 0.09 -0.80 0.07 0.00 -1.03 0.00 0.00 54.13 52.46 1f5w s LEU 58 Cb -0.09 -1.20 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 1f5w s LEU 58 CO 0.00 0.15 -0.22 -0.51 0.23 0.00 0.00 176.35 176.00 1f5w s ILE 59 N -1.33 1.77 -0.45 -0.59 2.07 -0.21 -0.62 121.20 121.84 1f5w s ILE 59 Ca 0.17 -0.95 0.04 0.00 -1.41 0.00 0.00 60.65 58.49 1f5w s ILE 59 Cb -0.09 -1.47 0.12 0.00 0.13 0.00 0.00 42.46 41.15 1f5w s ILE 59 CO 0.08 0.50 0.19 -0.44 -1.91 0.00 0.00 174.94 173.36 1f5w s SER 60 N -0.49 4.35 0.50 4.50 0.01 0.14 -1.81 113.70 120.89 1f5w s SER 60 Ca 0.08 -2.67 -0.21 0.00 1.31 0.00 0.00 55.95 54.46 1f5w s SER 60 Cb -0.09 -1.53 -0.07 0.00 0.21 0.00 0.00 66.02 64.54 1f5w s SER 60 CO -0.01 -0.29 1.13 -2.84 0.41 0.00 0.00 173.24 171.65 1f5w s PRO 61 N 0.21 3.59 0.31 12.44 0.02 -1.25 -1.80 135.00 148.51 1f5w s PRO 61 Ca 0.15 1.66 0.10 0.00 0.02 0.00 0.00 61.00 62.93 1f5w s PRO 61 Cb -0.23 -2.21 0.48 0.00 0.02 0.00 0.00 34.50 32.56 1f5w s PRO 61 CO -0.03 -0.66 1.70 0.00 -0.33 0.00 0.00 177.00 177.67 1f5w h ALA 62 N 1.64 1.13 -0.47 -1.55 0.00 -1.13 -3.27 119.26 115.61 1f5w h ALA 62 Ca -0.50 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 53.96 1f5w h ALA 62 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1f5w h ALA 62 CO 0.59 0.63 0.00 -3.47 0.00 0.00 0.00 179.25 177.00 1f5w n ASP 63 N -3.95 4.60 -3.90 0.00 2.03 -1.26 -4.89 116.55 109.18 1f5w n ASP 63 Ca -0.02 -2.67 -0.09 0.00 0.52 0.00 0.00 54.79 52.53 1f5w n ASP 63 Cb 0.52 -0.62 -0.05 0.00 -0.72 0.00 0.00 41.12 40.24 1f5w n ASP 63 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1f5w s ASN 64 N -0.65 -0.10 0.00 1.67 6.03 -1.24 -5.06 114.94 115.60 1f5w s ASN 64 Ca 0.43 -0.75 0.22 0.00 -1.03 0.00 0.00 52.86 51.72 1f5w s ASN 64 Cb 0.32 0.53 0.51 0.00 -3.03 0.00 0.00 41.25 39.58 1f5w s ASN 64 CO 0.14 -1.02 1.44 0.00 -2.03 0.00 0.00 177.10 175.63 1f5w n GLN 65 N -0.31 2.31 -2.56 3.55 6.02 -1.26 -4.69 117.38 120.44 1f5w n GLN 65 Ca -0.07 -1.99 -0.38 0.00 -0.01 0.00 0.00 57.00 54.55 1f5w n GLN 65 Cb 0.62 -1.48 -0.05 0.00 1.02 0.00 0.00 30.24 30.36 1f5w n GLN 65 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1f5w s LYS 66 N -1.53 4.47 0.09 -1.09 -2.85 -1.26 -5.05 119.74 112.52 1f5w s LYS 66 Ca 0.37 1.61 0.02 0.00 -1.00 0.00 0.00 55.97 56.97 1f5w s LYS 66 Cb 0.21 -2.91 -0.04 0.00 -2.06 0.00 0.00 37.83 33.04 1f5w s LYS 66 CO 0.30 0.12 -0.07 0.14 0.10 0.00 0.00 175.35 175.93 1f5w s VAL 67 N -1.40 0.68 -1.44 1.79 -7.23 -1.26 -3.92 120.40 107.61 1f5w s VAL 67 Ca 0.50 -1.72 -0.11 0.00 -1.81 0.00 0.00 61.98 58.84 1f5w s VAL 67 Cb -0.26 -1.41 0.05 0.00 0.56 0.00 0.00 36.38 35.31 1f5w s VAL 67 CO 0.33 -0.74 1.08 0.47 -0.31 0.00 0.00 175.10 175.94 1f5w n ASP 68 N 0.35 -5.49 -4.69 4.85 8.00 -1.10 -4.96 116.55 113.51 1f5w n ASP 68 Ca -0.15 -0.66 -0.40 0.00 0.71 0.00 0.00 54.79 54.29 1f5w n ASP 68 Cb 0.59 -4.49 -0.05 0.00 -0.02 0.00 0.00 41.12 37.16 1f5w n ASP 68 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1f5w s GLN 69 N -6.44 4.37 0.18 -1.24 -1.52 -0.75 -4.81 119.66 109.45 1f5w s GLN 69 Ca 0.60 0.91 -0.31 0.00 -1.95 0.00 0.00 55.36 54.61 1f5w s GLN 69 Cb -0.28 -3.50 -0.09 0.00 -0.22 0.00 0.00 33.01 28.91 1f5w s GLN 69 CO 0.78 -0.10 1.47 0.08 -0.25 0.00 0.00 175.29 177.28 1f5w s VAL 70 N 1.35 2.82 -0.04 1.09 1.01 -1.26 -1.05 120.40 124.32 1f5w s VAL 70 Ca 0.37 0.62 0.08 0.00 0.00 0.00 0.00 61.98 63.05 1f5w s VAL 70 Cb -0.17 -3.40 -0.12 0.00 0.00 0.00 0.00 36.38 32.69 1f5w s VAL 70 CO 0.16 0.07 0.12 2.30 0.00 0.00 0.00 175.10 177.74 1f5w n ILE 71 N 3.41 0.24 -3.55 2.22 -5.35 -0.50 -4.68 119.36 111.16 1f5w n ILE 71 Ca 0.11 -0.26 -0.17 0.00 -0.27 0.00 0.00 62.75 62.16 1f5w n ILE 71 Cb 0.40 -0.18 -0.06 0.00 -1.74 0.00 0.00 39.64 38.06 1f5w n ILE 71 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1f5w s ILE 72 N -2.42 0.00 -0.09 7.28 2.07 -1.23 -4.68 121.20 122.13 1f5w s ILE 72 Ca -0.03 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.13 1f5w s ILE 72 Cb 0.04 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.66 1f5w s ILE 72 CO 0.34 0.00 0.24 -0.22 -1.91 0.00 0.00 174.94 173.40 1f5w s LEU 73 N -0.82 0.90 -0.19 8.50 2.96 -0.17 -1.79 118.68 128.06 1f5w s LEU 73 Ca -0.08 0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1f5w s LEU 73 Cb -0.01 0.80 0.01 0.00 0.50 0.00 0.00 46.19 47.49 1f5w s LEU 73 CO 0.07 -0.11 -0.14 -0.47 -1.32 0.00 0.00 176.35 174.38 1f5w s TYR 74 N 0.44 2.84 -0.26 5.38 5.04 0.10 -0.44 117.35 130.45 1f5w s TYR 74 Ca -0.03 -1.37 -0.24 0.00 -2.44 0.00 0.00 57.07 52.99 1f5w s TYR 74 Cb -0.04 -1.98 0.07 0.00 0.35 0.00 0.00 41.96 40.36 1f5w s TYR 74 CO -0.02 -0.70 0.70 0.45 -1.34 0.00 0.00 175.55 174.64 1f5w s SER 75 N 1.32 -0.74 -1.66 4.32 0.15 -0.40 -1.13 113.70 115.55 1f5w s SER 75 Ca 0.05 1.41 -0.03 0.00 0.70 0.00 0.00 55.95 58.08 1f5w s SER 75 Cb -0.14 1.43 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 1f5w s SER 75 CO -0.09 -0.24 0.33 0.61 1.20 0.00 0.00 173.24 175.04 1f5w n GLY 76 N 2.77 -0.51 2.47 9.45 0.00 -1.26 -1.76 105.19 116.35 1f5w n GLY 76 Ca -0.14 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 1f5w n GLY 76 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1f5w n ASP 77 N -2.29 -5.59 -4.23 1.61 2.03 -1.26 -4.99 116.55 101.83 1f5w n ASP 77 Ca -0.18 0.21 -0.25 0.00 0.52 0.00 0.00 54.79 55.10 1f5w n ASP 77 Cb 0.65 -4.72 -0.14 0.00 -0.72 0.00 0.00 41.12 36.19 1f5w n ASP 77 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1f5w s LYS 78 N -4.42 1.32 -0.20 -0.67 1.02 -0.72 -5.14 119.74 110.93 1f5w s LYS 78 Ca 0.00 -0.90 -0.09 0.00 0.02 0.00 0.00 55.97 55.00 1f5w s LYS 78 Cb 0.00 -1.41 -0.05 0.00 -0.52 0.00 0.00 37.83 35.85 1f5w s LYS 78 CO 0.00 0.36 0.10 0.42 -0.92 0.00 0.00 175.35 175.31 1f5w s ILE 79 N -0.79 5.13 -0.30 2.17 1.01 -1.26 -1.28 121.20 125.88 1f5w s ILE 79 Ca 0.06 0.09 -0.00 0.00 0.00 0.00 0.00 60.65 60.80 1f5w s ILE 79 Cb -0.09 -3.33 0.06 0.00 0.01 0.00 0.00 42.46 39.11 1f5w s ILE 79 CO 0.02 0.44 -0.01 -0.31 0.00 0.00 0.00 174.94 175.07 1f5w s TYR 80 N 0.44 3.31 0.01 3.97 1.51 0.42 -4.99 117.35 122.01 1f5w s TYR 80 Ca 0.06 -2.07 -0.00 0.00 -1.01 0.00 0.00 57.07 54.05 1f5w s TYR 80 Cb -0.12 -2.16 -0.00 0.00 -0.11 0.00 0.00 41.96 39.57 1f5w s TYR 80 CO -0.01 -0.84 -0.00 -0.40 -1.11 0.00 0.00 175.55 173.19 1f5w n ASP 81 N 4.56 0.17 0.17 2.29 5.68 -1.26 -1.00 116.55 127.16 1f5w n ASP 81 Ca -0.12 0.02 0.13 0.00 -0.50 0.00 0.00 54.79 54.32 1f5w n ASP 81 Cb 0.43 -0.06 0.57 0.00 -1.14 0.00 0.00 41.12 40.92 1f5w n ASP 81 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1f5w h ASP 82 N -0.00 0.00 -0.88 -1.12 3.32 -1.85 -1.27 116.42 114.62 1f5w h ASP 82 Ca 0.00 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.17 1f5w h ASP 82 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.49 1f5w h ASP 82 CO 0.00 0.00 0.57 0.22 -1.72 0.00 0.00 179.24 178.31 1f5w h TYR 83 N 0.00 0.86 -3.36 4.55 5.03 -1.93 -3.39 116.97 118.72 1f5w h TYR 83 Ca 0.00 0.02 -0.57 0.00 2.58 0.00 0.00 58.73 60.76 1f5w h TYR 83 Cb 0.31 -0.27 -0.07 0.00 1.55 0.00 0.00 36.73 38.25 1f5w h TYR 83 CO 0.00 0.35 0.07 0.71 -1.32 0.00 0.00 178.16 177.97 1f5w s TYR 84 N -5.72 3.52 0.37 -3.82 2.02 -0.48 -4.98 117.35 108.26 1f5w s TYR 84 Ca -0.10 1.12 0.10 0.00 -0.37 0.00 0.00 57.07 57.82 1f5w s TYR 84 Cb 0.21 -2.77 0.72 0.00 -0.40 0.00 0.00 41.96 39.73 1f5w s TYR 84 CO 0.79 0.04 1.85 -1.00 -1.57 0.00 0.00 175.55 175.66 1f5w h PRO 85 N 6.91 0.15 -6.44 -1.71 0.13 -1.86 -3.35 132.00 125.83 1f5w h PRO 85 Ca -0.39 -0.05 -0.54 0.00 -0.87 0.00 0.00 66.00 64.16 1f5w h PRO 85 Cb 1.18 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1f5w h PRO 85 CO 0.76 0.41 0.85 -0.51 -0.23 0.00 0.00 178.00 179.28 1f5w s ASP 86 N -6.91 6.78 -1.89 1.44 1.01 -1.26 -2.00 116.67 113.83 1f5w s ASP 86 Ca -0.04 2.27 0.00 0.00 0.71 0.00 0.00 52.55 55.48 1f5w s ASP 86 Cb 0.15 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1f5w s ASP 86 CO 0.74 -0.75 0.00 0.18 0.21 0.00 0.00 175.17 175.55 1f5w n LEU 87 N 5.07 -1.77 -4.72 1.23 4.32 -1.26 -4.77 117.00 115.10 1f5w n LEU 87 Ca 0.13 0.16 -0.43 0.00 -0.02 0.00 0.00 56.01 55.86 1f5w n LEU 87 Cb 0.42 -2.88 -0.01 0.00 -1.62 0.00 0.00 43.42 39.33 1f5w n LEU 87 CO 0.60 -0.50 1.05 2.29 -1.22 0.00 0.00 177.39 179.61 1f5w n LYS 88 N -2.79 2.34 -0.65 3.23 2.85 -0.85 -0.74 118.16 121.56 1f5w n LYS 88 Ca -0.23 0.83 0.00 0.00 -1.05 0.00 0.00 58.31 57.86 1f5w n LYS 88 Cb 0.68 -2.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.56 1f5w n LYS 88 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1f5w n GLY 89 N 1.35 1.29 0.00 2.58 0.00 -1.26 -4.80 105.19 104.35 1f5w n GLY 89 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1f5w n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f5w n ARG 90 N -2.00 1.60 -4.67 1.61 1.74 0.09 -4.97 116.66 110.06 1f5w n ARG 90 Ca 0.00 -0.15 -0.33 0.00 -0.77 0.00 0.00 57.85 56.60 1f5w n ARG 90 Cb 0.00 -0.55 -0.16 0.00 -1.02 0.00 0.00 32.46 30.73 1f5w n ARG 90 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1f5w s VAL 91 N -0.27 2.21 0.01 1.55 0.11 -1.09 -0.64 120.40 122.29 1f5w s VAL 91 Ca 0.00 -0.93 -0.09 0.00 -2.93 0.00 0.00 61.98 58.03 1f5w s VAL 91 Cb 0.00 -1.90 0.00 0.00 -1.53 0.00 0.00 36.38 32.96 1f5w s VAL 91 CO 0.00 0.54 0.18 -1.00 -3.33 0.00 0.00 175.10 171.49 1f5w s HIS 92 N 0.78 0.02 0.43 1.54 3.76 -0.95 -4.74 115.29 116.14 1f5w s HIS 92 Ca -0.07 -0.14 -0.25 0.00 -0.15 0.00 0.00 55.06 54.45 1f5w s HIS 92 Cb -0.16 -0.02 -0.08 0.00 1.11 0.00 0.00 32.58 33.43 1f5w s HIS 92 CO -0.01 -0.36 1.29 -0.06 -0.85 0.00 0.00 174.74 174.76 1f5w s PHE 93 N -1.84 2.77 -0.05 1.40 0.08 -1.26 -1.19 117.98 117.90 1f5w s PHE 93 Ca -0.11 1.42 0.09 0.00 0.12 0.00 0.00 56.93 58.45 1f5w s PHE 93 Cb -0.05 -3.64 -0.24 0.00 -0.57 0.00 0.00 43.02 38.52 1f5w s PHE 93 CO -0.00 -2.10 0.65 1.79 -0.10 0.00 0.00 175.22 175.47 1f5w h THR 94 N 2.27 0.86 -3.95 0.64 1.35 -1.56 -3.45 112.91 109.07 1f5w h THR 94 Ca -0.50 -2.68 -0.46 0.00 -0.55 0.00 0.00 66.41 62.22 1f5w h THR 94 Cb 1.25 2.46 -0.02 0.00 -1.73 0.00 0.00 68.15 70.11 1f5w h THR 94 CO 0.62 0.58 0.33 -0.55 -0.25 0.00 0.00 175.52 176.25 1f5w s SER 95 N -6.29 7.16 0.00 5.36 0.15 -1.26 -4.96 113.70 113.85 1f5w s SER 95 Ca -0.07 1.75 0.28 0.00 0.70 0.00 0.00 55.95 58.61 1f5w s SER 95 Cb 0.08 -2.55 1.05 0.00 -1.71 0.00 0.00 66.02 62.88 1f5w s SER 95 CO 0.82 -0.19 1.74 -0.46 1.20 0.00 0.00 173.24 176.35 1f5w n ASN 96 N 0.05 0.89 -3.46 5.45 0.23 -1.26 -4.53 115.26 112.63 1f5w n ASN 96 Ca 0.04 -0.93 -0.27 0.00 -0.53 0.00 0.00 54.58 52.88 1f5w n ASN 96 Cb 0.52 0.03 -0.10 0.00 -2.08 0.00 0.00 39.78 38.14 1f5w n ASN 96 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1f5w s ASP 97 N -2.35 1.94 0.45 0.53 2.15 -1.26 -4.98 116.67 113.16 1f5w s ASP 97 Ca 0.30 -3.05 0.12 0.00 0.43 0.00 0.00 52.55 50.36 1f5w s ASP 97 Cb 0.20 -0.56 1.03 0.00 -0.30 0.00 0.00 42.92 43.29 1f5w s ASP 97 CO 0.45 -0.18 2.06 -0.07 -0.17 0.00 0.00 175.17 177.26 1f5w h LEU 98 N 5.77 0.17 -1.44 -1.34 3.38 -1.80 -1.77 115.31 118.29 1f5w h LEU 98 Ca 0.23 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1f5w h LEU 98 Cb 0.90 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1f5w h LEU 98 CO 0.40 0.19 0.00 0.11 0.09 0.00 0.00 178.44 179.23 1f5w h LYS 99 N 0.19 0.00 0.00 1.13 1.57 -1.94 -1.85 116.57 115.67 1f5w h LYS 99 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1f5w h LYS 99 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1f5w h LYS 99 CO -0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 1f5w n SER 100 N -2.42 0.00 0.00 0.86 3.41 -0.66 -4.85 113.62 109.95 1f5w n SER 100 Ca -0.00 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.96 1f5w n SER 100 Cb 0.11 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1f5w n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1f5w n GLY 101 N 0.92 1.46 2.90 5.00 0.00 -0.71 -4.96 105.19 109.80 1f5w n GLY 101 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1f5w n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1f5w s ASP 102 N -2.00 4.43 -0.08 1.61 -1.08 -1.13 -1.01 116.67 117.40 1f5w s ASP 102 Ca 0.00 -2.02 0.20 0.00 -0.52 0.00 0.00 52.55 50.21 1f5w s ASP 102 Cb 0.00 -1.31 0.72 0.00 -1.46 0.00 0.00 42.92 40.86 1f5w s ASP 102 CO 0.00 -0.38 1.62 0.00 0.52 0.00 0.00 175.17 176.93 1f5w n ALA 103 N 4.40 2.92 -1.33 3.66 0.00 0.66 -4.44 120.51 126.38 1f5w n ALA 103 Ca 0.02 -1.52 -0.34 0.00 0.00 0.00 0.00 53.44 51.60 1f5w n ALA 103 Cb 0.41 -1.01 0.09 0.00 0.00 0.00 0.00 19.45 18.95 1f5w n ALA 103 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1f5w s SER 104 N -0.92 4.24 0.14 0.00 0.01 -1.15 -4.59 113.70 111.42 1f5w s SER 104 Ca 0.52 2.28 0.05 0.00 1.31 0.00 0.00 55.95 60.11 1f5w s SER 104 Cb 0.32 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 1f5w s SER 104 CO 0.28 -2.23 -0.12 0.27 0.41 0.00 0.00 173.24 171.85 1f5w s ILE 105 N -2.10 1.24 -0.08 1.44 -4.36 -0.70 -1.40 121.20 115.24 1f5w s ILE 105 Ca 0.72 -1.91 0.01 0.00 -0.26 0.00 0.00 60.65 59.21 1f5w s ILE 105 Cb -0.27 -1.70 -0.03 0.00 1.25 0.00 0.00 42.46 41.71 1f5w s ILE 105 CO 0.46 -0.61 -0.08 0.20 0.24 0.00 0.00 174.94 175.15 1f5w s ASN 106 N -2.87 4.55 -0.27 4.36 0.02 -0.33 -0.71 114.94 119.69 1f5w s ASN 106 Ca 0.13 -0.07 -0.02 0.00 -1.02 0.00 0.00 52.86 51.88 1f5w s ASN 106 Cb -0.01 -1.23 0.03 0.00 0.02 0.00 0.00 41.25 40.06 1f5w s ASN 106 CO 0.02 0.32 -0.03 -0.69 0.02 0.00 0.00 177.10 176.74 1f5w s VAL 107 N -0.59 2.99 0.40 1.60 1.01 0.83 -2.23 120.40 124.42 1f5w s VAL 107 Ca 0.09 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 1f5w s VAL 107 Cb -0.12 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 1f5w s VAL 107 CO 0.02 0.11 0.69 0.42 0.00 0.00 0.00 175.10 176.33 1f5w s THR 108 N 1.32 4.95 -1.15 3.92 -4.23 0.18 -0.70 115.64 119.93 1f5w s THR 108 Ca -0.01 0.11 -0.25 0.00 -1.18 0.00 0.00 61.69 60.36 1f5w s THR 108 Cb -0.17 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 69.86 1f5w s THR 108 CO -0.03 -0.62 0.76 -3.20 -0.54 0.00 0.00 174.62 170.99 1f5w n ASN 109 N -1.72 -5.01 -4.64 3.99 5.15 -1.05 -4.78 115.26 107.20 1f5w n ASN 109 Ca -0.01 -1.10 -0.46 0.00 -0.60 0.00 0.00 54.58 52.42 1f5w n ASN 109 Cb 0.55 -2.87 -0.03 0.00 -0.53 0.00 0.00 39.78 36.90 1f5w n ASN 109 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1f5w n LEU 110 N -4.42 2.56 -4.55 1.20 4.77 -0.14 -4.55 117.00 111.87 1f5w n LEU 110 Ca -0.10 1.14 -0.26 0.00 -0.03 0.00 0.00 56.01 56.76 1f5w n LEU 110 Cb 0.58 -1.36 -0.10 0.00 -2.33 0.00 0.00 43.42 40.22 1f5w n LEU 110 CO 0.69 -0.78 -0.43 -1.10 -1.33 0.00 0.00 177.39 174.44 1f5w s GLN 111 N -0.47 1.97 0.54 3.23 -1.52 -1.26 -0.27 119.66 121.88 1f5w s GLN 111 Ca 0.69 -1.35 0.21 0.00 -1.95 0.00 0.00 55.36 52.96 1f5w s GLN 111 Cb -0.71 -2.09 1.43 0.00 -0.22 0.00 0.00 33.01 31.42 1f5w s GLN 111 CO 0.51 0.42 2.16 -0.07 -0.25 0.00 0.00 175.29 178.05 1f5w h LEU 112 N 2.84 0.00 -0.16 2.90 3.38 -1.94 -0.60 115.31 121.73 1f5w h LEU 112 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1f5w h LEU 112 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1f5w h LEU 112 CO 0.54 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.53 1f5w n SER 113 N -4.33 0.15 0.02 -0.43 3.41 -1.26 -2.00 113.62 109.18 1f5w n SER 113 Ca -0.01 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 1f5w n SER 113 Cb 0.15 -0.57 0.40 0.00 -0.26 0.00 0.00 64.21 63.93 1f5w n SER 113 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1f5w n ASP 114 N -1.67 0.39 -4.75 4.04 8.00 -0.23 -4.81 116.55 117.53 1f5w n ASP 114 Ca 0.03 0.21 -0.42 0.00 0.71 0.00 0.00 54.79 55.32 1f5w n ASP 114 Cb 0.19 -0.19 -0.01 0.00 -0.02 0.00 0.00 41.12 41.08 1f5w n ASP 114 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1f5w n ILE 115 N -1.71 1.12 -3.26 0.53 5.41 -0.85 -4.87 119.36 115.73 1f5w n ILE 115 Ca 0.06 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.53 1f5w n ILE 115 Cb 0.37 -1.95 0.00 0.00 -0.71 0.00 0.00 39.64 37.35 1f5w n ILE 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1f5w n GLY 116 N 1.99 -0.67 3.55 7.39 0.00 -0.88 -0.54 105.19 116.03 1f5w n GLY 116 Ca 0.08 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.43 1f5w n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f5w s THR 117 N -2.88 4.53 -0.14 2.61 2.01 -0.74 -0.93 115.64 120.09 1f5w s THR 117 Ca 0.00 -0.12 -0.03 0.00 0.31 0.00 0.00 61.69 61.86 1f5w s THR 117 Cb 0.00 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 1f5w s THR 117 CO 0.00 0.41 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.99 1f5w s TYR 118 N 0.85 3.00 -0.13 4.92 1.51 -0.10 -0.68 117.35 126.71 1f5w s TYR 118 Ca 0.03 -0.27 0.03 0.00 -1.01 0.00 0.00 57.07 55.85 1f5w s TYR 118 Cb -0.14 -1.91 0.01 0.00 -0.11 0.00 0.00 41.96 39.81 1f5w s TYR 118 CO 0.02 0.01 -0.22 -1.14 -1.11 0.00 0.00 175.55 173.12 1f5w s GLN 119 N 0.17 3.03 -0.19 -0.62 0.74 0.21 -0.53 119.66 122.47 1f5w s GLN 119 Ca -0.02 -0.86 -0.16 0.00 0.05 0.00 0.00 55.36 54.37 1f5w s GLN 119 Cb -0.14 -2.42 -0.04 0.00 1.10 0.00 0.00 33.01 31.51 1f5w s GLN 119 CO 0.03 0.01 0.41 0.00 -0.55 0.00 0.00 175.29 175.19 1f5w s LYS 121 N 1.20 2.94 -0.13 0.00 1.02 0.58 -1.20 119.74 124.15 1f5w s LYS 121 Ca 0.20 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.40 1f5w s LYS 121 Cb -0.15 -2.47 0.01 0.00 -0.52 0.00 0.00 37.83 34.70 1f5w s LYS 121 CO 0.08 -0.13 -0.22 0.08 -0.92 0.00 0.00 175.35 174.24 1f5w s VAL 122 N 1.10 2.02 -0.03 3.17 1.01 -0.31 -1.13 120.40 126.24 1f5w s VAL 122 Ca -0.00 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.04 1f5w s VAL 122 Cb -0.14 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.46 1f5w s VAL 122 CO -0.08 0.54 -0.13 -0.75 0.00 0.00 0.00 175.10 174.69 1f5w s LYS 123 N 0.69 1.26 -0.35 2.72 2.20 0.52 -0.96 119.74 125.83 1f5w s LYS 123 Ca -0.10 -0.44 0.02 0.00 -0.36 0.00 0.00 55.97 55.08 1f5w s LYS 123 Cb -0.16 -1.15 0.15 0.00 -1.51 0.00 0.00 37.83 35.16 1f5w s LYS 123 CO 0.01 0.19 0.34 0.21 -0.36 0.00 0.00 175.35 175.75 1f5w s LYS 124 N 0.04 0.55 0.14 4.03 2.20 -0.45 -0.88 119.74 125.36 1f5w s LYS 124 Ca -0.02 -0.69 -0.34 0.00 -0.36 0.00 0.00 55.97 54.56 1f5w s LYS 124 Cb -0.09 -0.74 -0.16 0.00 -1.51 0.00 0.00 37.83 35.33 1f5w s LYS 124 CO 0.01 -1.15 1.17 0.00 -0.36 0.00 0.00 175.35 175.02 1f5w n ALA 125 N 4.53 -1.17 1.46 3.13 0.00 -1.26 -1.22 120.51 125.98 1f5w n ALA 125 Ca 0.07 0.49 0.13 0.00 0.00 0.00 0.00 53.44 54.13 1f5w n ALA 125 Cb 0.45 -2.00 0.51 0.00 0.00 0.00 0.00 19.45 18.41 1f5w n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1f5w n PRO 126 N 1.90 1.65 -2.35 0.00 -0.04 -1.26 -0.81 135.00 134.09 1f5w n PRO 126 Ca 0.16 -0.95 -0.38 0.00 -0.04 0.00 0.00 63.50 62.29 1f5w n PRO 126 Cb 0.22 -1.46 -0.02 0.00 -0.04 0.00 0.00 33.50 32.19 1f5w n PRO 126 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1f5w s GLY 127 N -1.89 2.85 -0.03 0.55 0.00 -0.35 -4.74 107.32 103.70 1f5w s GLY 127 Ca 0.37 0.91 -0.04 0.00 0.00 0.00 0.00 44.72 45.96 1f5w s GLY 127 CO 0.32 1.41 0.10 -1.34 0.00 0.00 0.00 173.10 173.59 1f5w s VAL 128 N -1.45 0.02 0.05 1.40 -7.23 -1.26 -1.35 120.40 110.59 1f5w s VAL 128 Ca 0.56 -0.20 -0.15 0.00 -1.81 0.00 0.00 61.98 60.38 1f5w s VAL 128 Cb -0.29 -0.22 0.03 0.00 0.56 0.00 0.00 36.38 36.46 1f5w s VAL 128 CO 0.36 -0.11 0.35 0.00 -0.31 0.00 0.00 175.10 175.39 1f5w s ALA 129 N -0.33 -0.81 0.05 1.32 0.00 -0.14 -4.45 121.76 117.40 1f5w s ALA 129 Ca -0.04 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 1f5w s ALA 129 Cb -0.03 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 1f5w s ALA 129 CO 0.00 -0.46 0.10 0.54 0.00 0.00 0.00 175.76 175.94 1f5w s ASN 130 N -2.16 0.21 -0.17 0.00 2.20 -1.26 -1.16 114.94 112.61 1f5w s ASN 130 Ca -0.04 -0.63 -0.19 0.00 -0.94 0.00 0.00 52.86 51.07 1f5w s ASN 130 Cb -0.00 0.25 0.05 0.00 -2.00 0.00 0.00 41.25 39.54 1f5w s ASN 130 CO -0.04 -0.57 0.51 -0.75 -2.94 0.00 0.00 177.10 173.31 1f5w s LYS 131 N -3.06 0.65 -0.07 3.55 2.47 -0.34 -4.91 119.74 118.03 1f5w s LYS 131 Ca -0.01 0.60 -0.03 0.00 -1.56 0.00 0.00 55.97 54.97 1f5w s LYS 131 Cb 0.01 0.31 -0.04 0.00 -1.46 0.00 0.00 37.83 36.66 1f5w s LYS 131 CO -0.07 -0.10 0.06 0.15 0.16 0.00 0.00 175.35 175.55 1f5w s LYS 132 N 0.01 3.12 -0.07 4.03 1.02 -1.26 -0.79 119.74 125.79 1f5w s LYS 132 Ca -0.02 -0.36 0.04 0.00 0.02 0.00 0.00 55.97 55.65 1f5w s LYS 132 Cb -0.03 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 1f5w s LYS 132 CO 0.02 0.71 -0.20 0.42 -0.92 0.00 0.00 175.35 175.38 1f5w s ILE 133 N -1.01 1.67 -0.18 2.17 -1.09 0.32 -3.72 121.20 119.35 1f5w s ILE 133 Ca 0.17 -0.82 -0.09 0.00 -2.23 0.00 0.00 60.65 57.68 1f5w s ILE 133 Cb -0.12 -1.45 -0.05 0.00 -1.58 0.00 0.00 42.46 39.27 1f5w s ILE 133 CO 0.06 0.47 0.13 -1.00 -1.23 0.00 0.00 174.94 173.37 1f5w s HIS 134 N 0.23 3.44 -0.13 3.97 3.76 -0.17 -0.93 115.29 125.46 1f5w s HIS 134 Ca -0.11 0.36 0.02 0.00 -0.15 0.00 0.00 55.06 55.18 1f5w s HIS 134 Cb -0.15 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.44 1f5w s HIS 134 CO 0.05 0.38 -0.20 -1.17 -0.85 0.00 0.00 174.74 172.95 1f5w s LEU 135 N 0.05 2.26 -0.08 0.89 2.96 -0.11 -0.29 118.68 124.36 1f5w s LEU 135 Ca 0.09 -0.53 0.05 0.00 -0.22 0.00 0.00 54.13 53.52 1f5w s LEU 135 Cb -0.11 -1.48 -0.00 0.00 0.50 0.00 0.00 46.19 45.09 1f5w s LEU 135 CO -0.01 0.11 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.20 1f5w s VAL 136 N 0.66 2.11 -0.16 1.68 1.01 -0.33 -2.07 120.40 123.30 1f5w s VAL 136 Ca -0.10 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 1f5w s VAL 136 Cb -0.16 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 1f5w s VAL 136 CO 0.02 0.56 -0.11 -0.69 0.00 0.00 0.00 175.10 174.88 1f5w s VAL 137 N 0.14 3.09 -0.10 2.92 1.01 -1.26 -1.64 120.40 124.56 1f5w s VAL 137 Ca -0.13 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 1f5w s VAL 137 Cb -0.16 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1f5w s VAL 137 CO 0.07 0.50 0.16 -0.76 0.00 0.00 0.00 175.10 175.07 1f5w s LEU 138 N 0.74 4.39 0.00 3.92 1.43 0.54 -4.84 118.68 124.86 1f5w s LEU 138 Ca -0.05 0.49 0.32 0.00 -1.03 0.00 0.00 54.13 53.86 1f5w s LEU 138 Cb -0.15 -2.15 1.91 0.00 0.03 0.00 0.00 46.19 45.83 1f5w s LEU 138 CO 0.02 0.39 2.23 1.33 0.23 0.00 0.00 176.35 180.55