#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ix8 h LEU 3 N 0.00 0.60 -0.64 0.00 5.85 -2.01 -2.35 115.31 116.75 3ix8 h LEU 3 Ca 0.00 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.24 3ix8 h LEU 3 Cb 0.00 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 3ix8 h LEU 3 CO 0.00 0.98 0.41 0.58 -0.34 0.00 0.00 178.44 180.07 3ix8 h VAL 4 N 0.23 1.12 -0.72 1.05 2.07 -2.02 -0.03 116.25 117.95 3ix8 h VAL 4 Ca 0.03 -0.28 0.11 0.00 0.82 0.00 0.00 66.70 67.37 3ix8 h VAL 4 Cb 0.84 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 30.75 3ix8 h VAL 4 CO 0.06 0.15 0.33 0.44 0.02 0.00 0.00 177.57 178.57 3ix8 h ASP 5 N 0.82 0.39 -0.51 0.57 5.19 -1.98 -0.83 116.42 120.07 3ix8 h ASP 5 Ca 0.25 0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.71 3ix8 h ASP 5 Cb -0.03 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 3ix8 h ASP 5 CO -0.08 0.21 0.21 1.23 -3.12 0.00 0.00 179.24 177.69 3ix8 h GLY 6 N 0.54 0.81 0.59 2.75 0.00 -0.66 -1.21 103.07 105.89 3ix8 h GLY 6 Ca 0.37 -0.43 0.05 0.00 0.00 0.00 0.00 47.33 47.31 3ix8 h GLY 6 CO -0.31 0.41 0.04 -2.75 0.00 0.00 0.00 176.54 173.93 3ix8 h PHE 7 N 0.68 0.06 -0.22 5.60 3.57 -0.59 -0.07 116.94 125.98 3ix8 h PHE 7 Ca 0.17 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 3ix8 h PHE 7 Cb 0.18 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3ix8 h PHE 7 CO 0.00 -0.01 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.93 3ix8 h LEU 8 N 0.14 0.32 -0.30 0.59 3.38 -0.88 0.90 115.31 119.47 3ix8 h LEU 8 Ca 0.15 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3ix8 h LEU 8 Cb 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3ix8 h LEU 8 CO -0.21 0.45 -0.01 -0.33 0.09 0.00 0.00 178.44 178.43 3ix8 h GLU 9 N 0.33 0.53 -0.43 1.13 5.08 -0.83 -1.79 114.58 118.60 3ix8 h GLU 9 Ca 0.07 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3ix8 h GLU 9 Cb 0.35 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 3ix8 h GLU 9 CO 0.02 0.68 0.19 -0.07 -1.00 0.00 0.00 179.01 178.83 3ix8 h LEU 10 N 0.32 0.26 -1.20 1.33 3.38 -0.47 -1.17 115.31 117.75 3ix8 h LEU 10 Ca 0.08 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3ix8 h LEU 10 Cb 0.44 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3ix8 h LEU 10 CO 0.02 0.19 0.29 -0.33 0.09 0.00 0.00 178.44 178.69 3ix8 h GLU 11 N 0.39 0.85 -0.25 1.13 4.39 -0.68 -2.82 114.58 117.59 3ix8 h GLU 11 Ca 0.19 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3ix8 h GLU 11 Cb 0.13 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 3ix8 h GLU 11 CO -0.16 0.66 0.00 0.54 -1.16 0.00 0.00 179.01 178.89 3ix8 n ARG 12 N -4.36 2.43 -1.80 2.33 1.74 -0.69 -4.97 116.66 111.35 3ix8 n ARG 12 Ca 0.05 -2.15 -0.37 0.00 -0.77 0.00 0.00 57.85 54.61 3ix8 n ARG 12 Cb 0.13 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.13 3ix8 n ARG 12 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3ix8 s SER 13 N -1.69 5.00 0.23 0.55 1.04 -0.46 -4.92 113.70 113.46 3ix8 s SER 13 Ca 0.34 2.66 0.26 0.00 0.48 0.00 0.00 55.95 59.69 3ix8 s SER 13 Cb 0.22 -2.62 0.73 0.00 0.10 0.00 0.00 66.02 64.44 3ix8 s SER 13 CO 0.31 -1.74 1.73 -1.28 0.98 0.00 0.00 173.24 173.24 3ix8 h SER 14 N 1.04 0.00 0.00 7.02 0.87 -1.90 -3.48 113.55 117.10 3ix8 h SER 14 Ca -0.51 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 3ix8 h SER 14 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 3ix8 h SER 14 CO 0.55 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 177.47 3ix8 n GLY 15 N 1.29 -1.28 0.30 5.77 0.00 -1.26 -5.04 105.19 104.96 3ix8 n GLY 15 Ca 0.05 -0.90 -0.05 0.00 0.00 0.00 0.00 46.02 45.13 3ix8 n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ix8 h LYS 16 N 0.00 1.03 -0.22 1.61 3.64 -1.96 -1.30 116.57 119.37 3ix8 h LYS 16 Ca 0.00 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3ix8 h LYS 16 Cb 0.00 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 31.55 3ix8 h LYS 16 CO 0.00 0.71 -0.10 1.25 -2.27 0.00 0.00 179.45 179.04 3ix8 h LEU 17 N 1.04 -0.34 -0.38 5.20 5.85 -1.99 0.11 115.31 124.79 3ix8 h LEU 17 Ca 0.28 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 59.01 3ix8 h LEU 17 Cb -0.06 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3ix8 h LEU 17 CO -0.05 -0.13 -0.03 -0.08 -0.34 0.00 0.00 178.44 177.80 3ix8 h GLU 18 N -0.08 0.69 -0.02 1.25 4.81 -1.93 -2.05 114.58 117.26 3ix8 h GLU 18 Ca 0.12 -0.24 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3ix8 h GLU 18 Cb 0.25 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3ix8 h GLU 18 CO -0.27 0.81 -0.13 2.35 -0.73 0.00 0.00 179.01 181.04 3ix8 h TRP 19 N 0.51 -0.34 -0.89 0.92 7.01 -0.85 -0.90 115.95 121.41 3ix8 h TRP 19 Ca 0.11 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.18 3ix8 h TRP 19 Cb 0.51 0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 27.67 3ix8 h TRP 19 CO 0.04 -0.20 0.58 0.66 -2.79 0.00 0.00 178.44 176.73 3ix8 h SER 20 N -0.21 0.90 -0.17 2.65 4.64 -0.78 -1.48 113.55 119.10 3ix8 h SER 20 Ca 0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 3ix8 h SER 20 Cb 0.28 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3ix8 h SER 20 CO -0.15 0.59 0.04 0.00 -0.87 0.00 0.00 176.83 176.44 3ix8 h ALA 21 N 1.51 0.22 0.03 5.18 0.00 -0.60 -0.66 119.26 124.95 3ix8 h ALA 21 Ca 0.38 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3ix8 h ALA 21 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3ix8 h ALA 21 CO -0.13 -0.14 -0.08 0.82 0.00 0.00 0.00 179.25 179.72 3ix8 h ILE 22 N 0.08 0.80 -0.42 0.00 2.04 -0.94 -1.40 117.51 117.66 3ix8 h ILE 22 Ca 0.05 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 3ix8 h ILE 22 Cb 0.26 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3ix8 h ILE 22 CO 0.00 0.00 0.19 0.25 0.00 0.00 0.00 178.15 178.59 3ix8 h LEU 23 N -0.16 0.57 -1.02 1.44 5.85 -1.20 -0.02 115.31 120.77 3ix8 h LEU 23 Ca 0.02 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3ix8 h LEU 23 Cb 0.18 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3ix8 h LEU 23 CO -0.06 0.56 0.66 1.56 -0.34 0.00 0.00 178.44 180.81 3ix8 h GLN 24 N 0.54 1.31 -0.22 1.25 4.20 -1.04 -0.68 115.11 120.48 3ix8 h GLN 24 Ca 0.14 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 3ix8 h GLN 24 Cb 0.15 -0.30 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 3ix8 h GLN 24 CO -0.02 0.87 0.03 -0.22 -0.67 0.00 0.00 178.83 178.82 3ix8 h LYS 25 N 1.35 0.37 -0.41 1.46 3.64 -0.93 0.12 116.57 122.16 3ix8 h LYS 25 Ca 0.37 -0.10 0.08 0.00 -1.27 0.00 0.00 60.65 59.73 3ix8 h LYS 25 Cb -0.16 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 31.54 3ix8 h LYS 25 CO -0.08 0.52 -0.10 0.52 -2.27 0.00 0.00 179.45 178.03 3ix8 h MET 26 N 0.16 -0.00 -0.28 1.90 2.86 -0.57 0.42 114.93 119.42 3ix8 h MET 26 Ca 0.07 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.60 3ix8 h MET 26 Cb 0.33 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3ix8 h MET 26 CO 0.01 -0.00 -0.27 0.00 1.06 0.00 0.00 176.91 177.71 3ix8 h ALA 27 N 1.41 1.01 -0.17 6.32 0.00 -1.07 -2.16 119.26 124.60 3ix8 h ALA 27 Ca 0.20 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 3ix8 h ALA 27 Cb 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ix8 h ALA 27 CO -0.43 0.59 -0.44 0.77 0.00 0.00 0.00 179.25 179.74 3ix8 h SER 28 N 0.49 0.69 -0.92 0.00 0.02 -0.06 0.04 113.55 113.81 3ix8 h SER 28 Ca 0.07 -0.57 0.04 0.00 -0.84 0.00 0.00 61.79 60.48 3ix8 h SER 28 Cb 0.72 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.01 3ix8 h SER 28 CO 0.06 1.14 0.59 0.44 -1.14 0.00 0.00 176.83 177.92 3ix8 h ASP 29 N 0.27 0.98 0.54 3.07 3.32 -0.16 -1.49 116.42 122.94 3ix8 h ASP 29 Ca -0.01 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3ix8 h ASP 29 Cb 1.05 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 3ix8 h ASP 29 CO 0.10 0.66 -0.13 0.25 -1.72 0.00 0.00 179.24 178.40 3ix8 h LEU 30 N 1.13 0.00 0.00 1.55 5.85 -1.34 -3.46 115.31 119.04 3ix8 h LEU 30 Ca 0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.09 3ix8 h LEU 30 Cb 0.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3ix8 h LEU 30 CO -0.13 0.13 0.00 0.61 -0.34 0.00 0.00 178.44 178.71 3ix8 n GLY 31 N -0.44 0.91 3.91 3.75 0.00 -0.56 -5.02 105.19 107.74 3ix8 n GLY 31 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3ix8 n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ix8 s PHE 32 N -1.70 3.51 0.00 1.61 0.08 -0.04 -4.80 117.98 116.64 3ix8 s PHE 32 Ca 0.00 0.68 0.00 0.00 0.12 0.00 0.00 56.93 57.73 3ix8 s PHE 32 Cb 0.00 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.29 3ix8 s PHE 32 CO 0.00 -0.02 0.00 0.45 -0.10 0.00 0.00 175.22 175.55 3ix8 n SER 33 N -1.61 0.00 -4.68 1.36 2.88 0.58 -4.09 113.62 108.06 3ix8 n SER 33 Ca -0.01 0.03 -0.32 0.00 -1.33 0.00 0.00 58.87 57.24 3ix8 n SER 33 Cb 0.55 -0.08 -0.09 0.00 -0.75 0.00 0.00 64.21 63.85 3ix8 n SER 33 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3ix8 s LYS 34 N -0.15 2.69 0.07 -1.46 1.02 -1.25 -4.88 119.74 115.77 3ix8 s LYS 34 Ca 0.00 -0.70 0.05 0.00 0.02 0.00 0.00 55.97 55.34 3ix8 s LYS 34 Cb 0.00 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 3ix8 s LYS 34 CO 0.00 0.59 -0.14 0.96 -0.92 0.00 0.00 175.35 175.85 3ix8 s ILE 35 N -1.16 1.07 -0.05 2.17 -4.36 -1.26 -1.11 121.20 116.50 3ix8 s ILE 35 Ca 0.22 -1.27 0.02 0.00 -0.26 0.00 0.00 60.65 59.36 3ix8 s ILE 35 Cb -0.12 -1.03 0.01 0.00 1.25 0.00 0.00 42.46 42.57 3ix8 s ILE 35 CO 0.13 -0.22 -0.10 -0.22 0.24 0.00 0.00 174.94 174.77 3ix8 s LEU 36 N -1.69 1.60 -0.24 0.37 0.20 -0.36 -1.97 118.68 116.59 3ix8 s LEU 36 Ca -0.02 -0.23 -0.01 0.00 0.69 0.00 0.00 54.13 54.56 3ix8 s LEU 36 Cb -0.10 -0.67 0.03 0.00 -0.43 0.00 0.00 46.19 45.02 3ix8 s LEU 36 CO 0.02 0.02 -0.08 0.12 -0.29 0.00 0.00 176.35 176.14 3ix8 s PHE 37 N 0.60 3.05 0.07 5.38 5.36 0.21 -0.77 117.98 131.88 3ix8 s PHE 37 Ca -0.11 -1.62 0.10 0.00 -0.96 0.00 0.00 56.93 54.33 3ix8 s PHE 37 Cb -0.14 -2.03 -0.03 0.00 -0.34 0.00 0.00 43.02 40.48 3ix8 s PHE 37 CO 0.02 -0.75 -0.26 0.20 -1.46 0.00 0.00 175.22 172.97 3ix8 s GLY 38 N 1.30 1.43 -0.13 13.12 0.00 -0.41 -0.03 107.32 122.61 3ix8 s GLY 38 Ca 0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 44.72 43.31 3ix8 s GLY 38 CO -0.06 -1.22 0.34 -2.27 0.00 0.00 0.00 173.10 169.89 3ix8 s LEU 39 N -1.47 0.50 0.12 0.66 2.96 -0.10 -1.49 118.68 119.86 3ix8 s LEU 39 Ca 0.12 0.70 0.09 0.00 -0.22 0.00 0.00 54.13 54.82 3ix8 s LEU 39 Cb -0.10 1.13 -0.04 0.00 0.50 0.00 0.00 46.19 47.68 3ix8 s LEU 39 CO 0.03 -0.14 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.93 3ix8 s LEU 40 N 0.61 2.33 0.90 -0.68 1.43 0.58 -1.25 118.68 122.58 3ix8 s LEU 40 Ca -0.03 -0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 52.21 3ix8 s LEU 40 Cb -0.05 -1.01 0.13 0.00 0.03 0.00 0.00 46.19 45.29 3ix8 s LEU 40 CO -0.04 0.09 1.13 -2.16 0.23 0.00 0.00 176.35 175.60 3ix8 s PRO 41 N -2.07 1.27 0.19 1.29 0.04 -1.26 -1.25 135.00 133.21 3ix8 s PRO 41 Ca 0.10 0.37 -0.32 0.00 0.04 0.00 0.00 61.00 61.19 3ix8 s PRO 41 Cb -0.10 -1.85 -0.15 0.00 0.04 0.00 0.00 34.50 32.45 3ix8 s PRO 41 CO 0.05 -2.12 1.30 1.17 0.04 0.00 0.00 177.00 177.44 3ix8 n LYS 42 N -3.73 1.59 -1.15 4.56 4.81 -1.24 -2.44 118.16 120.57 3ix8 n LYS 42 Ca 0.07 0.57 -0.05 0.00 -0.87 0.00 0.00 58.31 58.02 3ix8 n LYS 42 Cb 0.59 -2.16 -0.02 0.00 0.02 0.00 0.00 35.03 33.45 3ix8 n LYS 42 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ix8 n ASP 43 N 2.20 -4.26 -4.83 3.14 8.00 -1.26 -5.01 116.55 114.53 3ix8 n ASP 43 Ca 0.14 0.13 -0.37 0.00 0.71 0.00 0.00 54.79 55.40 3ix8 n ASP 43 Cb 0.27 -2.21 -0.07 0.00 -0.02 0.00 0.00 41.12 39.10 3ix8 n ASP 43 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3ix8 s SER 44 N -2.48 6.15 -0.14 -2.24 0.15 -1.02 -4.96 113.70 109.16 3ix8 s SER 44 Ca 0.00 0.39 0.18 0.00 0.70 0.00 0.00 55.95 57.22 3ix8 s SER 44 Cb 0.00 -1.95 0.34 0.00 -1.71 0.00 0.00 66.02 62.69 3ix8 s SER 44 CO 0.00 0.39 1.21 0.00 1.20 0.00 0.00 173.24 176.04 3ix8 n GLN 45 N 2.08 1.70 -1.78 5.44 6.02 -1.26 -4.89 117.38 124.69 3ix8 n GLN 45 Ca -0.20 -2.61 -0.41 0.00 -0.01 0.00 0.00 57.00 53.77 3ix8 n GLN 45 Cb 0.55 -1.57 -0.01 0.00 1.02 0.00 0.00 30.24 30.23 3ix8 n GLN 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3ix8 n ASP 46 N -1.20 6.20 -0.24 1.08 -0.08 -1.26 -4.79 116.55 116.27 3ix8 n ASP 46 Ca 0.17 -2.87 0.09 0.00 -1.51 0.00 0.00 54.79 50.67 3ix8 n ASP 46 Cb 0.69 -1.55 0.35 0.00 2.34 0.00 0.00 41.12 42.96 3ix8 n ASP 46 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3ix8 h TYR 47 N 5.44 0.82 0.00 -0.67 0.05 -1.99 -0.69 116.97 119.92 3ix8 h TYR 47 Ca 0.64 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.45 3ix8 h TYR 47 Cb 0.48 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.96 3ix8 h TYR 47 CO 1.56 0.37 0.00 0.39 -1.05 0.00 0.00 178.16 179.43 3ix8 n GLU 48 N -4.52 0.01 -0.07 4.88 1.02 -1.26 -2.02 120.64 118.68 3ix8 n GLU 48 Ca 0.14 0.25 0.09 0.00 -0.02 0.00 0.00 57.16 57.62 3ix8 n GLU 48 Cb 0.35 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.39 3ix8 n GLU 48 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ix8 n ASN 49 N -1.49 2.26 -4.70 1.62 5.03 -0.28 -5.07 115.26 112.63 3ix8 n ASN 49 Ca 0.04 -2.93 -0.31 0.00 0.87 0.00 0.00 54.58 52.24 3ix8 n ASN 49 Cb 0.16 -0.37 0.14 0.00 -1.02 0.00 0.00 39.78 38.69 3ix8 n ASN 49 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ix8 s ALA 50 N -2.59 1.71 -0.42 5.41 0.00 -0.86 -4.95 121.76 120.05 3ix8 s ALA 50 Ca 0.28 0.53 -0.29 0.00 0.00 0.00 0.00 51.96 52.48 3ix8 s ALA 50 Cb 0.24 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.98 3ix8 s ALA 50 CO 0.03 -2.46 1.12 0.12 0.00 0.00 0.00 175.76 174.57 3ix8 s PHE 51 N -2.67 2.92 -0.10 0.00 5.36 -0.38 -4.90 117.98 118.19 3ix8 s PHE 51 Ca 0.66 0.87 0.01 0.00 -0.96 0.00 0.00 56.93 57.52 3ix8 s PHE 51 Cb -0.22 -4.19 -0.02 0.00 -0.34 0.00 0.00 43.02 38.26 3ix8 s PHE 51 CO 0.57 -1.12 -0.15 0.42 -1.46 0.00 0.00 175.22 173.47 3ix8 s ILE 52 N 4.21 2.89 0.01 3.12 -1.09 -1.26 -0.93 121.20 128.15 3ix8 s ILE 52 Ca 0.47 -0.74 0.06 0.00 -2.23 0.00 0.00 60.65 58.22 3ix8 s ILE 52 Cb -0.09 -2.18 -0.02 0.00 -1.58 0.00 0.00 42.46 38.59 3ix8 s ILE 52 CO 0.26 0.55 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.64 3ix8 s VAL 53 N 0.08 1.53 -4.71 2.92 1.01 0.96 -4.99 120.40 117.20 3ix8 s VAL 53 Ca -0.07 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3ix8 s VAL 53 Cb -0.15 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.93 3ix8 s VAL 53 CO 0.05 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.08 3ix8 n GLY 54 N 2.30 0.95 0.46 4.51 0.00 -1.26 -0.62 105.19 111.53 3ix8 n GLY 54 Ca -0.16 -1.91 0.07 0.00 0.00 0.00 0.00 46.02 44.02 3ix8 n GLY 54 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ix8 n ASN 55 N 1.00 1.85 -4.76 1.61 0.23 -0.83 -5.02 115.26 109.34 3ix8 n ASN 55 Ca 0.00 -3.51 -0.39 0.00 -0.53 0.00 0.00 54.58 50.15 3ix8 n ASN 55 Cb 0.00 -0.48 0.03 0.00 -2.08 0.00 0.00 39.78 37.25 3ix8 n ASN 55 CO 0.00 0.00 0.00 -0.31 -0.93 0.00 0.00 177.26 176.02 3ix8 s TYR 56 N -2.91 2.39 0.24 -2.53 1.51 -1.23 -4.77 117.35 110.05 3ix8 s TYR 56 Ca 0.35 1.34 -0.31 0.00 -1.01 0.00 0.00 57.07 57.44 3ix8 s TYR 56 Cb 0.33 -3.82 -0.13 0.00 -0.11 0.00 0.00 41.96 38.22 3ix8 s TYR 56 CO -0.04 -2.83 1.40 -2.30 -1.11 0.00 0.00 175.55 170.67 3ix8 n PRO 57 N -0.65 2.03 -0.35 -1.71 -0.02 -1.26 -4.82 135.00 128.22 3ix8 n PRO 57 Ca 0.08 0.72 0.05 0.00 -2.02 0.00 0.00 63.50 62.34 3ix8 n PRO 57 Cb 0.44 -2.37 0.23 0.00 -0.02 0.00 0.00 33.50 31.77 3ix8 n PRO 57 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ix8 h ALA 58 N 4.12 1.50 -0.06 3.55 0.00 -1.99 -1.30 119.26 125.08 3ix8 h ALA 58 Ca -0.45 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 3ix8 h ALA 58 Cb 1.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3ix8 h ALA 58 CO 0.75 0.31 -0.49 0.00 0.00 0.00 0.00 179.25 179.81 3ix8 h ALA 59 N 1.51 1.06 -0.07 0.00 0.00 -1.99 -1.40 119.26 118.37 3ix8 h ALA 59 Ca 0.45 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ix8 h ALA 59 Cb 0.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ix8 h ALA 59 CO -0.21 0.64 -0.00 2.35 0.00 0.00 0.00 179.25 182.03 3ix8 h TRP 60 N 0.13 0.13 -0.85 0.00 2.91 -1.63 -1.91 115.95 114.73 3ix8 h TRP 60 Ca 0.00 -0.02 0.11 0.00 1.13 0.00 0.00 58.89 60.12 3ix8 h TRP 60 Cb 0.92 -0.03 -0.08 0.00 -0.51 0.00 0.00 29.16 29.45 3ix8 h TRP 60 CO 0.01 0.39 0.48 0.00 -1.03 0.00 0.00 178.44 178.29 3ix8 h ARG 61 N -0.16 0.73 -0.39 2.65 3.08 -1.12 -0.41 114.38 118.76 3ix8 h ARG 61 Ca 0.02 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3ix8 h ARG 61 Cb 0.34 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3ix8 h ARG 61 CO 0.00 0.49 0.02 0.93 -1.07 0.00 0.00 179.97 180.34 3ix8 h GLU 62 N 0.76 0.68 -0.24 0.04 5.08 -1.22 -2.41 114.58 117.27 3ix8 h GLU 62 Ca 0.43 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3ix8 h GLU 62 Cb 0.47 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3ix8 h GLU 62 CO -0.29 0.76 0.07 1.25 -1.00 0.00 0.00 179.01 179.81 3ix8 h HIS 63 N 0.51 0.40 -0.69 4.33 2.76 -0.94 0.62 115.15 122.14 3ix8 h HIS 63 Ca 0.11 -0.04 0.10 0.00 -2.20 0.00 0.00 60.37 58.34 3ix8 h HIS 63 Cb 0.44 -0.11 -0.07 0.00 1.55 0.00 0.00 27.41 29.22 3ix8 h HIS 63 CO 0.03 0.46 0.32 -0.92 -1.30 0.00 0.00 177.93 176.52 3ix8 h TYR 64 N 0.22 0.56 -0.08 5.26 3.20 -1.05 0.25 116.97 125.33 3ix8 h TYR 64 Ca 0.08 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3ix8 h TYR 64 Cb 0.25 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 3ix8 h TYR 64 CO 0.01 0.18 -0.00 -0.44 -1.64 0.00 0.00 178.16 176.26 3ix8 h ASP 65 N 0.53 0.14 -0.40 -2.11 5.19 -1.20 -1.08 116.42 117.49 3ix8 h ASP 65 Ca 0.35 -0.32 0.06 0.00 -0.62 0.00 0.00 57.03 56.50 3ix8 h ASP 65 Cb 0.41 -0.04 -0.05 0.00 0.18 0.00 0.00 39.33 39.83 3ix8 h ASP 65 CO -0.29 0.42 0.11 -0.09 -3.12 0.00 0.00 179.24 176.26 3ix8 h ARG 66 N -0.15 0.24 -0.00 3.56 2.43 -0.33 -2.67 114.38 117.46 3ix8 h ARG 66 Ca 0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3ix8 h ARG 66 Cb 0.35 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3ix8 h ARG 66 CO 0.00 0.16 -0.07 0.00 -1.51 0.00 0.00 179.97 178.56 3ix8 n ALA 67 N -2.41 2.64 -3.54 2.80 0.00 0.82 -4.93 120.51 115.90 3ix8 n ALA 67 Ca 0.02 -0.20 -0.22 0.00 0.00 0.00 0.00 53.44 53.04 3ix8 n ALA 67 Cb 0.17 -1.41 0.08 0.00 0.00 0.00 0.00 19.45 18.29 3ix8 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ix8 n GLY 68 N 1.30 -0.48 0.09 0.00 0.00 -0.65 -4.88 105.19 100.56 3ix8 n GLY 68 Ca 0.14 0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.45 3ix8 n GLY 68 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ix8 n TYR 69 N -4.80 0.48 0.29 1.61 4.01 -0.50 -1.79 117.16 116.46 3ix8 n TYR 69 Ca -0.04 0.21 0.14 0.00 -0.16 0.00 0.00 57.90 58.06 3ix8 n TYR 69 Cb 0.58 -0.84 0.88 0.00 -0.31 0.00 0.00 39.34 39.64 3ix8 n TYR 69 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ix8 h ALA 70 N 2.19 1.52 0.00 -0.72 0.00 -1.90 0.30 119.26 120.65 3ix8 h ALA 70 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ix8 h ALA 70 Cb 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ix8 h ALA 70 CO 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 179.25 179.12 3ix8 h ARG 71 N 0.00 0.00 0.00 0.00 3.08 -1.73 -3.35 114.38 112.38 3ix8 h ARG 71 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3ix8 h ARG 71 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 3ix8 h ARG 71 CO 0.00 0.15 -1.12 1.33 -1.07 0.00 0.00 179.97 179.26 3ix8 n VAL 72 N -3.33 0.07 -1.61 2.04 0.24 -0.30 -5.02 118.33 110.43 3ix8 n VAL 72 Ca 0.00 -0.07 -0.51 0.00 -2.04 0.00 0.00 64.34 61.72 3ix8 n VAL 72 Cb 0.38 -0.22 -0.06 0.00 -1.47 0.00 0.00 33.84 32.47 3ix8 n VAL 72 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3ix8 n ASP 73 N -1.82 2.74 0.27 -1.34 -0.08 0.89 -4.81 116.55 112.40 3ix8 n ASP 73 Ca -0.02 0.78 0.15 0.00 -1.51 0.00 0.00 54.79 54.19 3ix8 n ASP 73 Cb 0.30 -1.29 0.70 0.00 2.34 0.00 0.00 41.12 43.18 3ix8 n ASP 73 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3ix8 h PRO 74 N 10.06 0.00 -0.06 -0.67 0.13 -1.90 -2.35 132.00 137.21 3ix8 h PRO 74 Ca -0.41 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.59 3ix8 h PRO 74 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 3ix8 h PRO 74 CO 0.98 0.09 -0.57 1.79 -0.23 0.00 0.00 178.00 180.05 3ix8 h THR 75 N 0.00 1.38 -0.07 1.56 1.35 -1.92 -2.07 112.91 113.14 3ix8 h THR 75 Ca -0.00 -1.92 -0.01 0.00 -0.55 0.00 0.00 66.41 63.93 3ix8 h THR 75 Cb 0.47 1.97 -0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3ix8 h THR 75 CO 0.01 0.56 0.02 0.58 -0.25 0.00 0.00 175.52 176.45 3ix8 h VAL 76 N 0.14 1.18 -0.81 6.82 2.07 -1.76 -0.79 116.25 123.10 3ix8 h VAL 76 Ca -0.00 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3ix8 h VAL 76 Cb 1.05 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 3ix8 h VAL 76 CO 0.09 0.15 0.50 0.77 0.02 0.00 0.00 177.57 179.09 3ix8 h SER 77 N -0.08 0.96 -0.21 0.57 4.64 -1.51 -2.52 113.55 115.40 3ix8 h SER 77 Ca 0.02 -0.06 0.02 0.00 -0.47 0.00 0.00 61.79 61.31 3ix8 h SER 77 Cb 0.22 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 3ix8 h SER 77 CO -0.00 0.73 0.07 -0.74 -0.87 0.00 0.00 176.83 176.02 3ix8 h HIS 78 N 1.10 0.13 -0.69 4.77 6.17 -1.25 -2.42 115.15 122.95 3ix8 h HIS 78 Ca 0.29 0.01 0.15 0.00 0.71 0.00 0.00 60.37 61.53 3ix8 h HIS 78 Cb -0.06 -0.03 -0.04 0.00 2.52 0.00 0.00 27.41 29.80 3ix8 h HIS 78 CO -0.01 0.06 0.47 0.00 0.71 0.00 0.00 177.93 179.17 3ix8 h THR 80 N 0.31 0.00 0.00 0.00 1.35 -1.14 -3.27 112.91 110.16 3ix8 h THR 80 Ca 0.34 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3ix8 h THR 80 Cb 0.88 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3ix8 h THR 80 CO -0.09 0.00 -0.92 0.00 -0.25 0.00 0.00 175.52 174.26 3ix8 n GLN 81 N -2.42 2.12 -3.75 4.72 6.02 -0.29 -5.07 117.38 118.71 3ix8 n GLN 81 Ca 0.02 -0.04 -0.10 0.00 -0.01 0.00 0.00 57.00 56.87 3ix8 n GLN 81 Cb 0.28 -1.05 -0.06 0.00 1.02 0.00 0.00 30.24 30.43 3ix8 n GLN 81 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3ix8 s SER 82 N -2.40 -0.08 0.00 1.08 0.15 -0.77 -5.01 113.70 106.67 3ix8 s SER 82 Ca -0.00 -0.39 0.21 0.00 0.70 0.00 0.00 55.95 56.47 3ix8 s SER 82 Cb 0.06 0.39 0.02 0.00 -1.71 0.00 0.00 66.02 64.78 3ix8 s SER 82 CO 0.33 -0.73 1.05 1.33 1.20 0.00 0.00 173.24 176.42 3ix8 n VAL 83 N 0.09 0.00 -3.18 4.45 0.24 -1.26 -4.66 118.33 114.01 3ix8 n VAL 83 Ca -0.17 -0.32 -0.29 0.00 -2.04 0.00 0.00 64.34 61.53 3ix8 n VAL 83 Cb 0.62 1.28 -0.03 0.00 -1.47 0.00 0.00 33.84 34.24 3ix8 n VAL 83 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ix8 s LEU 84 N -2.27 3.97 0.62 1.34 1.43 -1.26 -4.57 118.68 117.94 3ix8 s LEU 84 Ca 0.18 0.82 -0.16 0.00 -1.03 0.00 0.00 54.13 53.94 3ix8 s LEU 84 Cb 0.17 -3.66 -0.02 0.00 0.03 0.00 0.00 46.19 42.71 3ix8 s LEU 84 CO 0.48 -0.27 1.08 -2.16 0.23 0.00 0.00 176.35 175.71 3ix8 s PRO 85 N -3.73 3.12 -0.18 1.29 0.04 -1.26 -4.43 135.00 129.85 3ix8 s PRO 85 Ca 0.46 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.77 3ix8 s PRO 85 Cb -0.10 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 3ix8 s PRO 85 CO 0.31 -0.98 -0.12 -1.50 0.04 0.00 0.00 177.00 174.76 3ix8 s ILE 86 N -2.39 2.85 0.12 0.56 2.07 -0.34 -4.98 121.20 119.09 3ix8 s ILE 86 Ca 0.65 -0.69 -0.20 0.00 -1.41 0.00 0.00 60.65 59.01 3ix8 s ILE 86 Cb -0.18 -2.24 -0.07 0.00 0.13 0.00 0.00 42.46 40.10 3ix8 s ILE 86 CO 0.38 0.49 0.62 -0.36 -1.91 0.00 0.00 174.94 174.16 3ix8 s PHE 87 N 1.10 3.78 -0.46 3.50 0.08 -1.26 -0.80 117.98 123.91 3ix8 s PHE 87 Ca 0.00 1.32 -0.29 0.00 0.12 0.00 0.00 56.93 58.09 3ix8 s PHE 87 Cb -0.14 -2.54 0.03 0.00 -0.57 0.00 0.00 43.02 39.79 3ix8 s PHE 87 CO -0.03 0.52 1.10 -1.58 -0.10 0.00 0.00 175.22 175.13 3ix8 s TRP 88 N -1.22 2.87 0.03 0.36 0.51 -0.11 -4.90 118.94 116.48 3ix8 s TRP 88 Ca 0.33 0.73 -0.08 0.00 -2.12 0.00 0.00 56.10 54.96 3ix8 s TRP 88 Cb -0.19 -4.29 -0.00 0.00 -0.81 0.00 0.00 33.47 28.18 3ix8 s TRP 88 CO 0.20 -1.19 0.16 -1.21 -0.51 0.00 0.00 176.95 174.41 3ix8 s GLU 89 N 4.27 0.63 0.32 4.98 2.02 -1.26 -4.50 118.70 125.15 3ix8 s GLU 89 Ca 0.46 -0.61 0.10 0.00 0.02 0.00 0.00 54.97 54.94 3ix8 s GLU 89 Cb -0.08 0.26 0.93 0.00 0.10 0.00 0.00 34.13 35.33 3ix8 s GLU 89 CO 0.29 -0.17 1.70 -1.35 0.02 0.00 0.00 175.26 175.75 3ix8 h PRO 90 N 3.67 0.45 0.00 0.39 0.11 -1.94 -2.28 132.00 132.39 3ix8 h PRO 90 Ca -0.32 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 3ix8 h PRO 90 Cb 1.19 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ix8 h PRO 90 CO 0.47 0.30 -0.00 0.66 -0.21 0.00 0.00 178.00 179.22 3ix8 h SER 91 N 0.46 0.00 1.54 -2.05 4.64 -1.96 -2.32 113.55 113.86 3ix8 h SER 91 Ca 0.66 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 3ix8 h SER 91 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3ix8 h SER 91 CO -0.53 0.00 0.00 0.16 -0.87 0.00 0.00 176.83 175.59 3ix8 h ILE 92 N 0.00 0.00 -3.53 0.95 3.07 -1.75 -3.41 117.51 112.84 3ix8 h ILE 92 Ca -0.00 -0.59 -0.71 0.00 1.55 0.00 0.00 64.86 65.11 3ix8 h ILE 92 Cb 0.00 1.57 -0.20 0.00 -0.27 0.00 0.00 36.82 37.92 3ix8 h ILE 92 CO 0.00 0.00 -0.35 -0.31 -1.05 0.00 0.00 178.15 176.44 3ix8 s TYR 93 N -3.16 3.21 0.00 0.16 2.02 -0.87 -4.74 117.35 113.97 3ix8 s TYR 93 Ca 0.09 -0.48 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 3ix8 s TYR 93 Cb 0.10 -2.70 0.00 0.00 -0.40 0.00 0.00 41.96 38.96 3ix8 s TYR 93 CO 0.60 -0.62 0.00 1.04 -1.57 0.00 0.00 175.55 175.00 3ix8 n GLN 94 N 5.32 1.86 -2.70 -0.62 6.02 -1.26 -4.78 117.38 121.22 3ix8 n GLN 94 Ca -0.10 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.64 3ix8 n GLN 94 Cb 0.47 -1.00 0.02 0.00 1.02 0.00 0.00 30.24 30.75 3ix8 n GLN 94 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3ix8 s THR 95 N -1.99 4.08 0.22 5.09 -4.23 -1.26 -4.96 115.64 112.59 3ix8 s THR 95 Ca 0.00 -0.16 -0.08 0.00 -1.18 0.00 0.00 61.69 60.27 3ix8 s THR 95 Cb 0.00 -3.56 0.17 0.00 1.34 0.00 0.00 72.50 70.45 3ix8 s THR 95 CO 0.00 -0.49 1.77 -0.09 -0.54 0.00 0.00 174.62 175.27 3ix8 h ARG 96 N 0.15 0.54 -0.42 3.99 2.43 -2.00 -2.22 114.38 116.85 3ix8 h ARG 96 Ca -0.46 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.61 3ix8 h ARG 96 Cb 1.24 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 3ix8 h ARG 96 CO 0.60 0.36 -0.00 0.87 -1.51 0.00 0.00 179.97 180.28 3ix8 h LYS 97 N 0.55 0.67 -0.26 0.20 1.57 -2.00 -2.53 116.57 114.77 3ix8 h LYS 97 Ca 0.34 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3ix8 h LYS 97 Cb 0.37 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3ix8 h LYS 97 CO -0.28 0.69 -0.20 1.96 -0.57 0.00 0.00 179.45 181.05 3ix8 h GLN 98 N 0.63 0.48 -0.65 3.15 4.20 -1.73 0.67 115.11 121.86 3ix8 h GLN 98 Ca 0.13 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 3ix8 h GLN 98 Cb 0.40 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 3ix8 h GLN 98 CO 0.02 0.66 0.13 0.45 -0.67 0.00 0.00 178.83 179.41 3ix8 h HIS 99 N 0.43 1.11 -0.34 2.96 3.86 -1.07 -0.76 115.15 121.35 3ix8 h HIS 99 Ca 0.07 -0.14 -0.03 0.00 -1.16 0.00 0.00 60.37 59.11 3ix8 h HIS 99 Cb 0.60 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 3ix8 h HIS 99 CO 0.02 0.93 0.11 0.93 0.86 0.00 0.00 177.93 180.78 3ix8 h GLU 100 N 0.97 0.52 -0.33 2.45 5.08 -1.03 -2.62 114.58 119.62 3ix8 h GLU 100 Ca 0.20 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3ix8 h GLU 100 Cb 0.40 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 3ix8 h GLU 100 CO 0.01 0.55 0.10 0.35 -1.00 0.00 0.00 179.01 179.02 3ix8 h PHE 101 N 0.39 0.17 -0.77 4.33 3.57 -0.75 -2.48 116.94 121.40 3ix8 h PHE 101 Ca 0.11 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.69 3ix8 h PHE 101 Cb 0.24 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 3ix8 h PHE 101 CO 0.01 0.06 0.45 0.35 -2.23 0.00 0.00 178.31 176.95 3ix8 h PHE 102 N 0.23 0.83 -0.64 0.41 3.57 -0.97 -0.52 116.94 119.84 3ix8 h PHE 102 Ca 0.15 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3ix8 h PHE 102 Cb 0.14 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 3ix8 h PHE 102 CO -0.15 0.40 0.25 0.93 -2.23 0.00 0.00 178.31 177.50 3ix8 h GLU 103 N 0.82 0.94 -0.16 1.11 4.39 -1.08 -0.07 114.58 120.53 3ix8 h GLU 103 Ca 0.35 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.83 3ix8 h GLU 103 Cb 0.22 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3ix8 h GLU 103 CO -0.19 0.78 -0.14 0.93 -1.16 0.00 0.00 179.01 179.22 3ix8 h GLU 104 N 0.93 0.37 -0.70 2.33 4.39 -1.11 -3.19 114.58 117.59 3ix8 h GLU 104 Ca 0.22 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.73 3ix8 h GLU 104 Cb 0.19 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 3ix8 h GLU 104 CO -0.02 0.74 0.46 0.00 -1.16 0.00 0.00 179.01 179.04 3ix8 h ALA 105 N 0.62 1.52 -0.56 3.43 0.00 -0.73 -2.55 119.26 120.99 3ix8 h ALA 105 Ca 0.03 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ix8 h ALA 105 Cb 0.67 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3ix8 h ALA 105 CO 0.04 0.44 0.37 1.03 0.00 0.00 0.00 179.25 181.13 3ix8 h SER 106 N 0.93 0.61 1.00 0.00 0.87 -1.01 -1.28 113.55 114.68 3ix8 h SER 106 Ca 0.26 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3ix8 h SER 106 Cb -0.09 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.72 3ix8 h SER 106 CO -0.06 0.44 -0.06 0.00 -0.53 0.00 0.00 176.83 176.62 3ix8 h ALA 107 N 1.66 1.02 -0.03 6.23 0.00 -1.47 -0.73 119.26 125.94 3ix8 h ALA 107 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ix8 h ALA 107 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ix8 h ALA 107 CO -0.05 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3ix8 n ALA 108 N -2.13 2.62 -0.49 0.00 0.00 -0.56 -4.90 120.51 115.05 3ix8 n ALA 108 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3ix8 n ALA 108 Cb 0.34 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3ix8 n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ix8 n GLY 109 N 1.02 0.72 3.13 0.00 0.00 -0.28 -4.81 105.19 104.96 3ix8 n GLY 109 Ca 0.19 -0.35 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 3ix8 n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ix8 n LEU 110 N 0.00 6.10 -0.06 0.99 4.77 -0.75 -4.61 117.00 123.43 3ix8 n LEU 110 Ca 0.00 -5.09 -0.12 0.00 -0.03 0.00 0.00 56.01 50.77 3ix8 n LEU 110 Cb 0.00 -1.37 -0.04 0.00 -2.33 0.00 0.00 43.42 39.68 3ix8 n LEU 110 CO 0.00 1.52 -0.80 0.52 -1.33 0.00 0.00 177.39 177.30 3ix8 n VAL 111 N 2.05 1.01 -4.64 4.08 0.31 -1.26 -4.14 118.33 115.75 3ix8 n VAL 111 Ca 0.27 -0.05 -0.34 0.00 -0.01 0.00 0.00 64.34 64.21 3ix8 n VAL 111 Cb 0.36 -1.80 -0.12 0.00 -0.91 0.00 0.00 33.84 31.37 3ix8 n VAL 111 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3ix8 s TYR 112 N -2.35 2.92 -5.00 3.52 2.02 -1.26 -4.72 117.35 112.48 3ix8 s TYR 112 Ca -0.19 -0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.44 3ix8 s TYR 112 Cb 0.06 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 3ix8 s TYR 112 CO 0.25 0.25 0.00 0.41 -1.57 0.00 0.00 175.55 174.89 3ix8 n GLY 113 N 2.44 -0.07 3.53 0.71 0.00 -1.26 -1.03 105.19 109.51 3ix8 n GLY 113 Ca -0.18 -1.36 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 3ix8 n GLY 113 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3ix8 s LEU 114 N 0.00 0.05 -0.11 0.99 0.05 -0.80 -0.93 118.68 117.94 3ix8 s LEU 114 Ca 0.00 -0.48 0.03 0.00 0.05 0.00 0.00 54.13 53.72 3ix8 s LEU 114 Cb 0.00 2.16 0.01 0.00 -2.05 0.00 0.00 46.19 46.31 3ix8 s LEU 114 CO 0.00 -1.06 -0.19 -0.89 -0.55 0.00 0.00 176.35 173.66 3ix8 s THR 115 N -3.87 1.71 -0.34 5.48 2.01 0.02 -1.59 115.64 119.04 3ix8 s THR 115 Ca 0.09 -0.79 -0.14 0.00 0.31 0.00 0.00 61.69 61.16 3ix8 s THR 115 Cb -0.01 -1.52 -0.01 0.00 0.01 0.00 0.00 72.50 70.96 3ix8 s THR 115 CO -0.03 0.48 0.31 -0.04 -0.69 0.00 0.00 174.62 174.65 3ix8 s MET 116 N 0.72 3.50 0.46 4.92 -1.94 0.69 -1.20 119.30 126.45 3ix8 s MET 116 Ca -0.11 -0.55 -0.24 0.00 -1.71 0.00 0.00 55.69 53.08 3ix8 s MET 116 Cb -0.16 -3.81 -0.07 0.00 2.01 0.00 0.00 34.83 32.79 3ix8 s MET 116 CO 0.02 -0.50 1.36 -2.14 -0.01 0.00 0.00 175.02 173.75 3ix8 s PRO 117 N 1.87 3.64 -0.13 2.03 0.02 -1.26 -1.05 135.00 140.12 3ix8 s PRO 117 Ca 0.09 2.26 0.02 0.00 0.02 0.00 0.00 61.00 63.38 3ix8 s PRO 117 Cb -0.17 -2.57 -0.00 0.00 0.02 0.00 0.00 34.50 31.78 3ix8 s PRO 117 CO 0.11 -0.80 -0.18 -0.51 -0.33 0.00 0.00 177.00 175.29 3ix8 s LEU 118 N -2.86 2.35 -0.25 -5.54 1.43 0.23 -4.85 118.68 109.20 3ix8 s LEU 118 Ca 0.63 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 3ix8 s LEU 118 Cb -0.40 -1.51 0.08 0.00 0.03 0.00 0.00 46.19 44.38 3ix8 s LEU 118 CO 0.51 0.12 0.06 -1.00 0.23 0.00 0.00 176.35 176.26 3ix8 s HIS 119 N 0.60 1.38 0.64 0.29 3.76 -1.26 -0.54 115.29 120.16 3ix8 s HIS 119 Ca -0.10 -1.29 -0.08 0.00 -0.15 0.00 0.00 55.06 53.45 3ix8 s HIS 119 Cb -0.16 -1.34 0.02 0.00 1.11 0.00 0.00 32.58 32.21 3ix8 s HIS 119 CO 0.03 -0.74 0.97 0.20 -0.85 0.00 0.00 174.74 174.35 3ix8 s GLY 120 N 1.73 1.62 0.56 -2.22 0.00 -0.14 -4.95 107.32 103.92 3ix8 s GLY 120 Ca 0.03 -0.63 0.29 0.00 0.00 0.00 0.00 44.72 44.41 3ix8 s GLY 120 CO -0.16 -0.31 2.17 0.00 0.00 0.00 0.00 173.10 174.80 3ix8 h ALA 121 N -0.37 1.39 -0.53 3.20 0.00 -1.98 -2.13 119.26 118.84 3ix8 h ALA 121 Ca -0.45 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 3ix8 h ALA 121 Cb 1.26 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3ix8 h ALA 121 CO 0.62 0.07 0.06 0.54 0.00 0.00 0.00 179.25 180.54 3ix8 n ARG 122 N -3.73 4.09 -0.76 0.00 1.74 -1.26 -4.91 116.66 111.82 3ix8 n ARG 122 Ca -0.02 -3.08 0.00 0.00 -0.77 0.00 0.00 57.85 53.97 3ix8 n ARG 122 Cb 0.16 -2.15 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 3ix8 n ARG 122 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ix8 n GLY 123 N 0.12 0.71 3.72 -0.13 0.00 -0.80 -4.43 105.19 104.37 3ix8 n GLY 123 Ca 0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 3ix8 n GLY 123 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ix8 n GLU 124 N -2.50 1.93 -4.87 1.61 4.71 -1.26 -3.63 120.64 116.64 3ix8 n GLU 124 Ca 0.00 0.69 -0.28 0.00 -0.01 0.00 0.00 57.16 57.56 3ix8 n GLU 124 Cb 0.00 -2.45 -0.17 0.00 -1.01 0.00 0.00 31.44 27.81 3ix8 n GLU 124 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3ix8 s LEU 125 N -2.12 1.84 0.00 -4.62 2.96 -0.38 -0.96 118.68 115.40 3ix8 s LEU 125 Ca 0.63 -0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 54.07 3ix8 s LEU 125 Cb -0.48 -1.08 0.02 0.00 0.50 0.00 0.00 46.19 45.15 3ix8 s LEU 125 CO 0.56 0.09 0.31 0.61 -1.32 0.00 0.00 176.35 176.60 3ix8 n GLY 126 N 3.68 1.75 3.23 7.98 0.00 0.30 -0.31 105.19 121.82 3ix8 n GLY 126 Ca -0.21 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 3ix8 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ix8 s ALA 127 N -1.54 -0.85 -0.35 4.61 0.00 -0.55 -0.60 121.76 122.48 3ix8 s ALA 127 Ca 0.07 0.98 -0.04 0.00 0.00 0.00 0.00 51.96 52.98 3ix8 s ALA 127 Cb -0.02 -0.57 0.06 0.00 0.00 0.00 0.00 23.12 22.59 3ix8 s ALA 127 CO 0.05 -0.17 0.10 -1.17 0.00 0.00 0.00 175.76 174.58 3ix8 s LEU 128 N 0.22 4.43 -0.16 0.00 2.96 -0.21 -1.28 118.68 124.63 3ix8 s LEU 128 Ca -0.00 -1.43 -0.07 0.00 -0.22 0.00 0.00 54.13 52.41 3ix8 s LEU 128 Cb -0.03 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 3ix8 s LEU 128 CO 0.00 -0.37 0.08 -0.44 -1.32 0.00 0.00 176.35 174.31 3ix8 s SER 129 N 1.49 5.86 -0.04 3.68 0.01 0.05 -0.22 113.70 124.54 3ix8 s SER 129 Ca -0.00 0.21 -0.00 0.00 1.31 0.00 0.00 55.95 57.46 3ix8 s SER 129 Cb -0.21 -1.95 0.03 0.00 0.21 0.00 0.00 66.02 64.11 3ix8 s SER 129 CO -0.00 0.26 0.01 -0.76 0.41 0.00 0.00 173.24 173.16 3ix8 s LEU 130 N -0.13 0.86 0.15 2.44 1.02 -0.62 -1.22 118.68 121.17 3ix8 s LEU 130 Ca 0.08 -0.01 0.01 0.00 0.02 0.00 0.00 54.13 54.23 3ix8 s LEU 130 Cb -0.12 -0.24 -0.04 0.00 0.02 0.00 0.00 46.19 45.81 3ix8 s LEU 130 CO 0.01 -0.15 0.31 -0.94 0.02 0.00 0.00 176.35 175.60 3ix8 s SER 131 N 1.42 6.36 -0.08 2.29 1.04 -0.27 -1.91 113.70 122.55 3ix8 s SER 131 Ca -0.04 0.27 0.03 0.00 0.48 0.00 0.00 55.95 56.68 3ix8 s SER 131 Cb -0.13 -1.95 0.01 0.00 0.10 0.00 0.00 66.02 64.05 3ix8 s SER 131 CO -0.03 0.04 -0.16 -0.69 0.98 0.00 0.00 173.24 173.38 3ix8 s VAL 132 N -1.74 1.49 -0.18 5.02 1.01 -0.19 -0.31 120.40 125.50 3ix8 s VAL 132 Ca 0.36 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 61.41 3ix8 s VAL 132 Cb -0.11 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 3ix8 s VAL 132 CO 0.28 0.43 0.85 -1.61 0.00 0.00 0.00 175.10 175.05 3ix8 s GLU 133 N 0.63 4.29 0.02 2.72 0.41 -1.26 -4.33 118.70 121.18 3ix8 s GLU 133 Ca -0.14 1.04 -0.12 0.00 -0.41 0.00 0.00 54.97 55.33 3ix8 s GLU 133 Cb -0.16 -3.58 0.01 0.00 -1.78 0.00 0.00 34.13 28.62 3ix8 s GLU 133 CO 0.04 -0.36 0.26 0.00 -0.49 0.00 0.00 175.26 174.71 3ix8 s ALA 134 N 2.26 -0.58 0.29 5.21 0.00 -1.26 -4.99 121.76 122.69 3ix8 s ALA 134 Ca 0.39 0.00 0.18 0.00 0.00 0.00 0.00 51.96 52.53 3ix8 s ALA 134 Cb -0.16 0.21 0.85 0.00 0.00 0.00 0.00 23.12 24.01 3ix8 s ALA 134 CO 0.12 -0.33 1.83 0.93 0.00 0.00 0.00 175.76 178.31 3ix8 h GLU 135 N 3.60 0.00 -2.65 0.00 5.08 -1.96 -3.47 114.58 115.18 3ix8 h GLU 135 Ca -0.31 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.17 3ix8 h GLU 135 Cb 1.19 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.37 3ix8 h GLU 135 CO 0.44 0.33 0.36 0.54 -1.00 0.00 0.00 179.01 179.68 3ix8 s ASN 136 N -6.55 -0.23 0.36 1.42 2.20 -1.26 -5.06 114.94 105.83 3ix8 s ASN 136 Ca -0.02 -0.48 0.06 0.00 -0.94 0.00 0.00 52.86 51.48 3ix8 s ASN 136 Cb 0.13 0.60 0.70 0.00 -2.00 0.00 0.00 41.25 40.67 3ix8 s ASN 136 CO 0.68 -1.10 1.94 -0.09 -2.94 0.00 0.00 177.10 175.59 3ix8 h ARG 137 N 2.00 0.52 -0.45 3.55 2.43 -1.99 -1.66 114.38 118.78 3ix8 h ARG 137 Ca -0.22 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 58.81 3ix8 h ARG 137 Cb 1.24 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 3ix8 h ARG 137 CO 0.25 0.48 0.03 0.00 -1.51 0.00 0.00 179.97 179.21 3ix8 h ALA 138 N 1.60 0.60 -0.41 2.80 0.00 -1.99 -1.31 119.26 120.54 3ix8 h ALA 138 Ca 0.12 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3ix8 h ALA 138 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3ix8 h ALA 138 CO -0.01 0.36 -0.12 0.93 0.00 0.00 0.00 179.25 180.41 3ix8 h GLU 139 N 0.62 0.73 -0.16 0.00 4.39 -1.85 -2.62 114.58 115.68 3ix8 h GLU 139 Ca 0.13 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 3ix8 h GLU 139 Cb 0.45 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3ix8 h GLU 139 CO 0.02 0.83 0.04 0.00 -1.16 0.00 0.00 179.01 178.73 3ix8 h ALA 140 N 1.20 0.21 -0.71 3.43 0.00 -1.17 -2.38 119.26 119.83 3ix8 h ALA 140 Ca 0.11 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ix8 h ALA 140 Cb 0.59 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3ix8 h ALA 140 CO 0.04 -0.16 0.47 -0.91 0.00 0.00 0.00 179.25 178.69 3ix8 h ASN 141 N 0.06 0.75 -0.40 0.00 -0.26 -1.22 -1.50 115.58 113.01 3ix8 h ASN 141 Ca 0.05 -0.01 -0.13 0.00 -0.56 0.00 0.00 56.30 55.65 3ix8 h ASN 141 Cb 0.26 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 3ix8 h ASN 141 CO 0.00 0.52 -0.26 -0.09 -1.06 0.00 0.00 177.43 176.54 3ix8 h ARG 142 N 0.87 0.87 0.06 0.81 2.43 -1.32 -1.28 114.38 116.82 3ix8 h ARG 142 Ca 0.28 -0.41 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3ix8 h ARG 142 Cb 0.05 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3ix8 h ARG 142 CO -0.08 1.06 -0.03 0.35 -1.51 0.00 0.00 179.97 179.76 3ix8 h PHE 143 N 0.69 -0.07 -0.51 2.20 3.57 -1.09 -2.71 116.94 119.01 3ix8 h PHE 143 Ca 0.08 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3ix8 h PHE 143 Cb 0.83 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 3ix8 h PHE 143 CO 0.06 0.03 0.32 0.52 -2.23 0.00 0.00 178.31 177.01 3ix8 h MET 144 N -0.16 0.68 -0.89 1.11 2.86 -1.21 -1.60 114.93 115.71 3ix8 h MET 144 Ca -0.01 -0.05 0.15 0.00 -2.06 0.00 0.00 59.70 57.73 3ix8 h MET 144 Cb 0.14 -0.15 -0.07 0.00 0.06 0.00 0.00 31.60 31.58 3ix8 h MET 144 CO 0.01 0.48 0.58 1.49 1.06 0.00 0.00 176.91 180.53 3ix8 h GLU 145 N 0.68 0.66 0.00 1.72 4.81 -1.24 -0.28 114.58 120.93 3ix8 h GLU 145 Ca 0.18 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 3ix8 h GLU 145 Cb -0.04 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3ix8 h GLU 145 CO -0.04 0.44 -0.28 0.66 -0.73 0.00 0.00 179.01 179.06 3ix8 h SER 146 N 0.68 0.00 -0.00 1.04 4.64 -0.96 -3.29 113.55 115.66 3ix8 h SER 146 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3ix8 h SER 146 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3ix8 h SER 146 CO -0.21 0.28 -0.36 1.33 -0.87 0.00 0.00 176.83 177.00 3ix8 n VAL 147 N -3.29 0.00 -0.15 0.95 0.24 -0.95 -4.77 118.33 110.36 3ix8 n VAL 147 Ca 0.01 -0.32 -0.03 0.00 -2.04 0.00 0.00 64.34 61.97 3ix8 n VAL 147 Cb 0.54 1.04 0.06 0.00 -1.47 0.00 0.00 33.84 34.01 3ix8 n VAL 147 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3ix8 h LEU 148 N 0.40 -0.04 -1.12 1.34 5.85 -1.13 0.54 115.31 121.15 3ix8 h LEU 148 Ca 0.00 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3ix8 h LEU 148 Cb 0.27 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 3ix8 h LEU 148 CO 0.00 0.01 0.59 -0.65 -0.34 0.00 0.00 178.44 178.05 3ix8 h PRO 149 N 0.20 1.14 -0.08 5.25 0.11 -1.86 0.23 132.00 136.99 3ix8 h PRO 149 Ca 0.24 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.26 3ix8 h PRO 149 Cb 0.32 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 3ix8 h PRO 149 CO -0.33 0.76 -0.02 1.15 -0.21 0.00 0.00 178.00 179.35 3ix8 h THR 150 N 1.18 1.29 -0.74 -1.15 2.02 -1.59 -2.89 112.91 111.02 3ix8 h THR 150 Ca 0.34 -0.94 0.02 0.00 0.77 0.00 0.00 66.41 66.60 3ix8 h THR 150 Cb -0.07 1.75 -0.04 0.00 -1.74 0.00 0.00 68.15 68.06 3ix8 h THR 150 CO -0.09 0.26 0.49 0.25 0.37 0.00 0.00 175.52 176.80 3ix8 h LEU 151 N -0.17 0.82 -0.93 2.58 5.85 -0.69 -1.08 115.31 121.69 3ix8 h LEU 151 Ca 0.02 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3ix8 h LEU 151 Cb 0.42 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 3ix8 h LEU 151 CO 0.01 0.59 0.60 -0.25 -0.34 0.00 0.00 178.44 179.05 3ix8 h TRP 152 N 0.97 1.13 -0.12 1.25 2.91 -0.43 -0.71 115.95 120.95 3ix8 h TRP 152 Ca 0.28 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.30 3ix8 h TRP 152 Cb -0.05 -0.37 -0.00 0.00 -0.51 0.00 0.00 29.16 28.22 3ix8 h TRP 152 CO -0.00 0.64 -0.05 0.52 -1.03 0.00 0.00 178.44 178.52 3ix8 h MET 153 N 1.16 0.23 -0.58 2.65 2.86 -1.27 -3.32 114.93 116.65 3ix8 h MET 153 Ca 0.37 -0.10 0.12 0.00 -2.06 0.00 0.00 59.70 58.04 3ix8 h MET 153 Cb 0.03 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 31.58 3ix8 h MET 153 CO -0.13 0.56 -0.03 1.25 1.06 0.00 0.00 176.91 179.62 3ix8 h LEU 154 N -0.11 -0.32 -1.58 1.22 6.46 -0.65 -1.61 115.31 118.72 3ix8 h LEU 154 Ca 0.03 0.15 0.03 0.00 -0.12 0.00 0.00 57.88 57.96 3ix8 h LEU 154 Cb 0.49 0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 40.67 3ix8 h LEU 154 CO 0.01 -0.12 0.31 0.07 -0.62 0.00 0.00 178.44 178.09 3ix8 h LYS 155 N 0.09 0.54 0.02 1.25 5.09 -1.25 0.33 116.57 122.64 3ix8 h LYS 155 Ca 0.30 -0.03 -0.24 0.00 0.09 0.00 0.00 60.65 60.76 3ix8 h LYS 155 Cb 0.47 -0.12 0.01 0.00 0.10 0.00 0.00 32.23 32.69 3ix8 h LYS 155 CO -0.52 0.35 -1.01 -0.44 -2.09 0.00 0.00 179.45 175.74 3ix8 h ASP 156 N 0.55 0.63 -0.51 7.07 3.32 -1.42 -0.81 116.42 125.25 3ix8 h ASP 156 Ca 0.19 -0.52 0.01 0.00 0.02 0.00 0.00 57.03 56.72 3ix8 h ASP 156 Cb 0.07 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3ix8 h ASP 156 CO -0.05 1.33 0.34 1.88 -1.72 0.00 0.00 179.24 181.02 3ix8 h TYR 157 N 0.26 0.64 -0.31 4.55 0.05 -0.86 0.22 116.97 121.52 3ix8 h TYR 157 Ca -0.10 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 3ix8 h TYR 157 Cb 1.66 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 39.17 3ix8 h TYR 157 CO 0.07 0.40 0.12 0.00 -1.05 0.00 0.00 178.16 177.70 3ix8 h ALA 158 N 1.19 0.40 -0.04 3.88 0.00 -0.90 -1.79 119.26 122.00 3ix8 h ALA 158 Ca 0.19 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ix8 h ALA 158 Cb -0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3ix8 h ALA 158 CO -0.04 0.00 -0.10 1.25 0.00 0.00 0.00 179.25 180.37 3ix8 h LEU 159 N 0.34 -0.29 -0.56 0.00 5.85 -1.00 0.24 115.31 119.90 3ix8 h LEU 159 Ca 0.10 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3ix8 h LEU 159 Cb 0.20 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3ix8 h LEU 159 CO -0.01 -0.14 0.32 -0.61 -0.34 0.00 0.00 178.44 177.67 3ix8 h GLN 160 N -0.15 0.78 -0.07 1.25 5.75 -0.69 -1.02 115.11 120.96 3ix8 h GLN 160 Ca 0.05 -0.08 -0.19 0.00 -0.15 0.00 0.00 58.65 58.28 3ix8 h GLN 160 Cb 0.22 -0.16 0.01 0.00 1.07 0.00 0.00 27.48 28.62 3ix8 h GLN 160 CO -0.13 0.58 -0.71 1.03 -2.65 0.00 0.00 178.83 176.96 3ix8 h SER 161 N 0.76 0.74 -0.34 -0.69 0.87 -1.29 -3.32 113.55 110.27 3ix8 h SER 161 Ca 0.20 -0.69 -0.04 0.00 -1.23 0.00 0.00 61.79 60.03 3ix8 h SER 161 Cb 0.02 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 3ix8 h SER 161 CO -0.03 1.32 0.09 1.23 -0.53 0.00 0.00 176.83 178.90 3ix8 h GLY 162 N 0.22 0.67 1.49 5.77 0.00 -0.21 -1.93 103.07 109.07 3ix8 h GLY 162 Ca -0.07 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 3ix8 h GLY 162 CO 0.14 0.34 0.30 0.00 0.00 0.00 0.00 176.54 177.33 3ix8 h ALA 163 N 1.50 1.58 0.00 3.60 0.00 -1.29 0.12 119.26 124.78 3ix8 h ALA 163 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ix8 h ALA 163 Cb 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ix8 h ALA 163 CO -0.00 0.36 -0.02 0.78 0.00 0.00 0.00 179.25 180.37 3ix8 h GLY 164 N 0.73 0.00 0.27 0.00 0.00 -1.46 -1.61 103.07 101.01 3ix8 h GLY 164 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.24 3ix8 h GLY 164 CO -0.03 0.00 -1.49 -2.00 0.00 0.00 0.00 176.54 173.02 3ix8 h LEU 165 N 0.00 0.19 -0.45 3.11 5.85 -1.14 -3.37 115.31 119.50 3ix8 h LEU 165 Ca -0.00 -0.71 -0.02 0.00 0.84 0.00 0.00 57.88 57.99 3ix8 h LEU 165 Cb 0.73 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3ix8 h LEU 165 CO 0.00 1.62 0.19 0.00 -0.34 0.00 0.00 178.44 179.91 3ix8 h ALA 166 N -0.24 0.58 0.00 1.25 0.00 -0.86 -3.50 119.26 116.49 3ix8 h ALA 166 Ca -0.36 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ix8 h ALA 166 Cb 1.59 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3ix8 h ALA 166 CO -0.07 0.17 0.00 1.19 0.00 0.00 0.00 179.25 180.53