#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ix4 n PHE 7 N 0.00 0.00 0.05 1.61 -0.00 -1.26 -4.91 117.46 112.95 3ix4 n PHE 7 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.45 57.34 3ix4 n PHE 7 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 39.43 3ix4 n PHE 7 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 3ix4 h LEU 8 N 0.00 -0.38 -0.16 -2.13 5.85 -2.02 -2.69 115.31 113.78 3ix4 h LEU 8 Ca 0.00 0.06 -0.23 0.00 0.84 0.00 0.00 57.88 58.55 3ix4 h LEU 8 Cb 0.00 0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.20 3ix4 h LEU 8 CO 0.00 -0.18 -0.91 -0.33 -0.34 0.00 0.00 178.44 176.67 3ix4 h GLU 9 N -0.22 0.55 0.00 1.25 5.08 -1.98 -2.44 114.58 116.82 3ix4 h GLU 9 Ca 0.05 -0.54 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 3ix4 h GLU 9 Cb 0.28 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3ix4 h GLU 9 CO -0.14 1.17 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.90 3ix4 h LEU 10 N 0.33 0.00 0.14 1.33 3.38 -1.94 0.09 115.31 118.64 3ix4 h LEU 10 Ca -0.08 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.56 3ix4 h LEU 10 Cb 1.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 3ix4 h LEU 10 CO 0.17 0.08 -1.70 -0.33 0.09 0.00 0.00 178.44 176.75 3ix4 h GLU 11 N 0.00 0.30 0.00 1.13 4.39 -1.41 -3.32 114.58 115.66 3ix4 h GLU 11 Ca -0.00 -0.51 0.00 0.00 0.34 0.00 0.00 59.36 59.19 3ix4 h GLU 11 Cb 0.16 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3ix4 h GLU 11 CO 0.01 1.17 0.00 0.54 -1.16 0.00 0.00 179.01 179.57 3ix4 n ARG 12 N -3.49 0.23 -2.52 2.33 5.12 -0.93 -4.83 116.66 112.57 3ix4 n ARG 12 Ca -0.22 0.31 -0.34 0.00 -1.93 0.00 0.00 57.85 55.67 3ix4 n ARG 12 Cb 1.06 -1.83 -0.03 0.00 -1.16 0.00 0.00 32.46 30.49 3ix4 n ARG 12 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3ix4 s SER 13 N -4.37 6.29 -0.04 0.55 1.04 -0.01 -5.07 113.70 112.09 3ix4 s SER 13 Ca 0.08 1.95 0.05 0.00 0.48 0.00 0.00 55.95 58.51 3ix4 s SER 13 Cb 0.11 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.66 3ix4 s SER 13 CO 0.50 -0.82 -0.18 -0.94 0.98 0.00 0.00 173.24 172.78 3ix4 s SER 14 N -1.96 2.25 0.00 7.02 1.04 -1.26 -4.98 113.70 115.81 3ix4 s SER 14 Ca 0.68 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.74 3ix4 s SER 14 Cb -0.17 -0.57 0.00 0.00 0.10 0.00 0.00 66.02 65.38 3ix4 s SER 14 CO 0.21 0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.21 3ix4 n GLY 15 N 3.05 -1.59 0.36 7.32 0.00 -1.26 -4.38 105.19 108.69 3ix4 n GLY 15 Ca -0.18 -1.46 -0.03 0.00 0.00 0.00 0.00 46.02 44.36 3ix4 n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ix4 h LYS 16 N 0.00 1.24 0.00 1.61 3.64 -1.98 -2.76 116.57 118.32 3ix4 h LYS 16 Ca 0.00 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3ix4 h LYS 16 Cb 0.00 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.56 3ix4 h LYS 16 CO 0.00 0.87 -0.00 1.25 -2.27 0.00 0.00 179.45 179.29 3ix4 h LEU 17 N 1.26 -0.01 -0.64 5.20 7.12 -2.00 0.13 115.31 126.37 3ix4 h LEU 17 Ca 0.33 0.00 -0.10 0.00 0.13 0.00 0.00 57.88 58.24 3ix4 h LEU 17 Cb -0.05 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.06 3ix4 h LEU 17 CO -0.06 -0.01 -0.06 -0.08 -0.13 0.00 0.00 178.44 178.10 3ix4 h GLU 18 N -0.01 1.01 -0.37 1.25 4.81 -1.76 -2.10 114.58 117.41 3ix4 h GLU 18 Ca 0.00 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 3ix4 h GLU 18 Cb 0.01 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 3ix4 h GLU 18 CO -0.00 1.02 0.21 2.35 -0.73 0.00 0.00 179.01 181.85 3ix4 h TRP 19 N 0.91 0.50 -0.72 0.92 7.01 -1.20 -1.60 115.95 121.76 3ix4 h TRP 19 Ca 0.15 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 3ix4 h TRP 19 Cb 0.61 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.47 3ix4 h TRP 19 CO 0.04 0.39 0.40 0.77 -2.79 0.00 0.00 178.44 177.26 3ix4 h SER 20 N 0.47 0.90 -0.63 2.65 0.02 -0.68 -1.62 113.55 114.66 3ix4 h SER 20 Ca 0.13 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 3ix4 h SER 20 Cb 0.05 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 3ix4 h SER 20 CO -0.02 0.73 0.17 0.00 -1.14 0.00 0.00 176.83 176.57 3ix4 h ALA 21 N 1.21 1.06 0.06 3.77 0.00 -1.08 -0.31 119.26 123.96 3ix4 h ALA 21 Ca 0.26 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ix4 h ALA 21 Cb 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3ix4 h ALA 21 CO -0.04 0.62 -0.03 0.82 0.00 0.00 0.00 179.25 180.63 3ix4 h ILE 22 N 0.98 1.18 -0.37 0.00 2.04 -1.09 -2.33 117.51 117.93 3ix4 h ILE 22 Ca 0.21 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.27 3ix4 h ILE 22 Cb 0.33 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 3ix4 h ILE 22 CO -0.00 0.21 0.21 0.25 0.00 0.00 0.00 178.15 178.81 3ix4 h LEU 23 N -0.44 0.33 -0.86 1.44 5.85 -1.18 -1.31 115.31 119.14 3ix4 h LEU 23 Ca -0.01 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3ix4 h LEU 23 Cb 0.39 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.30 3ix4 h LEU 23 CO 0.01 0.24 0.52 1.56 -0.34 0.00 0.00 178.44 180.44 3ix4 h GLN 24 N 0.43 0.91 -0.36 1.25 4.20 -1.10 -1.87 115.11 118.57 3ix4 h GLN 24 Ca 0.15 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.68 3ix4 h GLN 24 Cb 0.02 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 3ix4 h GLN 24 CO -0.08 0.60 -0.29 -0.22 -0.67 0.00 0.00 178.83 178.18 3ix4 h LYS 25 N 0.94 0.77 -0.49 1.46 3.64 -1.01 -0.69 116.57 121.19 3ix4 h LYS 25 Ca 0.38 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3ix4 h LYS 25 Cb 0.21 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3ix4 h LYS 25 CO -0.19 0.96 0.31 0.52 -2.27 0.00 0.00 179.45 178.78 3ix4 h MET 26 N 0.66 0.65 -0.26 1.90 2.86 -0.85 0.52 114.93 120.41 3ix4 h MET 26 Ca 0.08 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3ix4 h MET 26 Cb 0.82 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 3ix4 h MET 26 CO 0.07 0.45 0.03 0.00 1.06 0.00 0.00 176.91 178.52 3ix4 h ALA 27 N 1.16 0.34 -0.49 6.32 0.00 -1.21 -2.26 119.26 123.12 3ix4 h ALA 27 Ca 0.18 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ix4 h ALA 27 Cb -0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ix4 h ALA 27 CO -0.04 0.04 0.30 1.03 0.00 0.00 0.00 179.25 180.58 3ix4 h SER 28 N 0.24 0.58 -0.40 0.00 0.87 -0.86 0.07 113.55 114.04 3ix4 h SER 28 Ca 0.08 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 3ix4 h SER 28 Cb 0.35 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 3ix4 h SER 28 CO 0.01 0.45 0.20 0.44 -0.53 0.00 0.00 176.83 177.40 3ix4 h ASP 29 N 0.66 0.56 1.06 6.23 3.32 -0.87 -2.05 116.42 125.33 3ix4 h ASP 29 Ca 0.18 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3ix4 h ASP 29 Cb -0.03 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3ix4 h ASP 29 CO -0.03 0.49 -0.30 0.25 -1.72 0.00 0.00 179.24 177.93 3ix4 h LEU 30 N 0.63 0.00 0.00 1.55 5.85 -0.87 -3.47 115.31 118.99 3ix4 h LEU 30 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3ix4 h LEU 30 Cb 0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3ix4 h LEU 30 CO -0.02 0.30 0.00 0.61 -0.34 0.00 0.00 178.44 178.99 3ix4 n GLY 31 N 0.41 0.98 3.49 3.75 0.00 -0.56 -5.00 105.19 108.25 3ix4 n GLY 31 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3ix4 n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ix4 s PHE 32 N -1.68 3.14 0.16 1.61 0.40 -0.10 -4.68 117.98 116.82 3ix4 s PHE 32 Ca 0.00 -0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 56.04 3ix4 s PHE 32 Cb 0.00 -2.30 -0.01 0.00 0.51 0.00 0.00 43.02 41.22 3ix4 s PHE 32 CO 0.00 -0.31 1.37 0.66 0.70 0.00 0.00 175.22 177.64 3ix4 h SER 33 N 8.29 0.46 -4.31 1.36 4.64 -1.73 -2.83 113.55 119.42 3ix4 h SER 33 Ca -0.37 -0.34 -0.54 0.00 -0.47 0.00 0.00 61.79 60.08 3ix4 h SER 33 Cb 1.18 -0.14 -0.29 0.00 -0.31 0.00 0.00 62.40 62.84 3ix4 h SER 33 CO 0.57 1.11 -0.83 -0.54 -0.87 0.00 0.00 176.83 176.27 3ix4 s LYS 34 N -3.40 1.38 0.02 4.77 -0.14 -1.20 -4.92 119.74 116.25 3ix4 s LYS 34 Ca -0.05 -0.63 0.00 0.00 -1.36 0.00 0.00 55.97 53.93 3ix4 s LYS 34 Cb 0.10 -1.34 -0.02 0.00 -1.68 0.00 0.00 37.83 34.88 3ix4 s LYS 34 CO 0.85 0.37 -0.03 0.96 -0.76 0.00 0.00 175.35 176.73 3ix4 s ILE 35 N -0.43 0.15 -0.06 2.17 -4.36 -1.26 -0.66 121.20 116.75 3ix4 s ILE 35 Ca 0.07 -0.96 -0.00 0.00 -0.26 0.00 0.00 60.65 59.50 3ix4 s ILE 35 Cb -0.07 -0.33 0.02 0.00 1.25 0.00 0.00 42.46 43.34 3ix4 s ILE 35 CO -0.01 -0.51 -0.03 -0.22 0.24 0.00 0.00 174.94 174.41 3ix4 s LEU 36 N -1.52 1.02 -0.28 0.37 0.20 -0.18 -2.12 118.68 116.17 3ix4 s LEU 36 Ca -0.15 -0.14 -0.07 0.00 0.69 0.00 0.00 54.13 54.46 3ix4 s LEU 36 Cb -0.09 -0.50 -0.01 0.00 -0.43 0.00 0.00 46.19 45.16 3ix4 s LEU 36 CO -0.01 -0.12 0.08 0.12 -0.29 0.00 0.00 176.35 176.14 3ix4 s PHE 37 N 1.43 3.12 -0.04 5.38 5.36 0.60 -0.62 117.98 133.20 3ix4 s PHE 37 Ca -0.03 -0.70 0.05 0.00 -0.96 0.00 0.00 56.93 55.30 3ix4 s PHE 37 Cb -0.13 -2.26 -0.01 0.00 -0.34 0.00 0.00 43.02 40.28 3ix4 s PHE 37 CO -0.03 -0.47 -0.19 0.20 -1.46 0.00 0.00 175.22 173.27 3ix4 s GLY 38 N 1.56 0.98 -0.07 13.12 0.00 -0.54 0.34 107.32 122.70 3ix4 s GLY 38 Ca 0.05 -0.77 -0.05 0.00 0.00 0.00 0.00 44.72 43.94 3ix4 s GLY 38 CO 0.03 -0.47 0.18 -2.27 0.00 0.00 0.00 173.10 170.57 3ix4 s LEU 39 N -0.10 1.06 0.09 0.66 2.96 0.05 -0.81 118.68 122.58 3ix4 s LEU 39 Ca -0.01 0.37 0.09 0.00 -0.22 0.00 0.00 54.13 54.36 3ix4 s LEU 39 Cb -0.11 0.57 -0.04 0.00 0.50 0.00 0.00 46.19 47.11 3ix4 s LEU 39 CO 0.02 -0.10 -0.22 -0.76 -1.32 0.00 0.00 176.35 173.97 3ix4 s LEU 40 N 0.51 2.49 0.85 -0.68 1.43 0.19 -1.27 118.68 122.20 3ix4 s LEU 40 Ca -0.03 -0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 52.35 3ix4 s LEU 40 Cb -0.05 -1.41 0.11 0.00 0.03 0.00 0.00 46.19 44.87 3ix4 s LEU 40 CO -0.02 0.21 1.22 -2.16 0.23 0.00 0.00 176.35 175.83 3ix4 s PRO 41 N -1.79 1.59 0.20 1.29 0.04 -1.26 -1.13 135.00 133.94 3ix4 s PRO 41 Ca 0.15 -0.03 -0.32 0.00 0.04 0.00 0.00 61.00 60.84 3ix4 s PRO 41 Cb -0.10 -1.92 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 3ix4 s PRO 41 CO 0.06 -1.83 1.17 1.17 0.04 0.00 0.00 177.00 177.61 3ix4 n LYS 42 N -3.45 1.31 -3.44 4.56 4.81 -1.24 -2.35 118.16 118.37 3ix4 n LYS 42 Ca 0.10 0.47 -0.25 0.00 -0.87 0.00 0.00 58.31 57.76 3ix4 n LYS 42 Cb 0.61 -1.96 0.03 0.00 0.02 0.00 0.00 35.03 33.72 3ix4 n LYS 42 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ix4 n ASP 43 N 1.89 -5.18 -4.40 3.14 8.00 -1.26 -5.00 116.55 113.74 3ix4 n ASP 43 Ca 0.14 -0.48 -0.32 0.00 0.71 0.00 0.00 54.79 54.83 3ix4 n ASP 43 Cb 0.27 -4.17 -0.14 0.00 -0.02 0.00 0.00 41.12 37.05 3ix4 n ASP 43 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3ix4 s SER 44 N -2.95 3.80 -0.14 -2.24 0.15 -0.99 -4.99 113.70 106.34 3ix4 s SER 44 Ca 0.47 -0.30 0.18 0.00 0.70 0.00 0.00 55.95 57.00 3ix4 s SER 44 Cb -0.23 -1.00 0.30 0.00 -1.71 0.00 0.00 66.02 63.38 3ix4 s SER 44 CO 0.58 0.28 1.15 0.00 1.20 0.00 0.00 173.24 176.46 3ix4 n GLN 45 N 2.73 1.28 -2.27 5.44 6.02 -1.26 -4.85 117.38 124.46 3ix4 n GLN 45 Ca -0.17 -2.62 -0.42 0.00 -0.01 0.00 0.00 57.00 53.77 3ix4 n GLN 45 Cb 0.52 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.30 3ix4 n GLN 45 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3ix4 n ASP 46 N -1.36 4.96 0.03 1.08 -0.08 -1.26 -4.77 116.55 115.15 3ix4 n ASP 46 Ca 0.16 -3.08 0.05 0.00 -1.51 0.00 0.00 54.79 50.40 3ix4 n ASP 46 Cb 0.65 -1.50 0.46 0.00 2.34 0.00 0.00 41.12 43.07 3ix4 n ASP 46 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3ix4 h TYR 47 N 5.77 0.44 0.00 -0.67 -1.99 -1.99 -0.16 116.97 118.37 3ix4 h TYR 47 Ca 0.41 0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.15 3ix4 h TYR 47 Cb 0.63 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 39.21 3ix4 h TYR 47 CO 1.27 0.28 0.00 0.39 -0.00 0.00 0.00 178.16 180.10 3ix4 n GLU 48 N -4.48 0.09 -0.44 4.88 4.71 -1.26 -2.40 120.64 121.74 3ix4 n GLU 48 Ca 0.03 0.39 0.07 0.00 -0.01 0.00 0.00 57.16 57.64 3ix4 n GLU 48 Cb 0.07 -1.70 0.15 0.00 -1.01 0.00 0.00 31.44 28.96 3ix4 n GLU 48 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3ix4 n ASN 49 N -1.87 1.79 -4.74 1.62 5.03 -0.09 -5.08 115.26 111.92 3ix4 n ASN 49 Ca 0.02 -3.27 -0.32 0.00 0.87 0.00 0.00 54.58 51.88 3ix4 n ASN 49 Cb 0.16 -0.44 0.09 0.00 -1.02 0.00 0.00 39.78 38.57 3ix4 n ASN 49 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ix4 s ALA 50 N -2.59 2.14 -0.32 5.41 0.00 -1.01 -4.97 121.76 120.42 3ix4 s ALA 50 Ca 0.32 0.54 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 3ix4 s ALA 50 Cb 0.31 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 20.07 3ix4 s ALA 50 CO -0.03 -1.84 1.25 0.12 0.00 0.00 0.00 175.76 175.26 3ix4 s PHE 51 N -2.50 2.78 -0.07 0.00 5.36 -0.40 -4.89 117.98 118.26 3ix4 s PHE 51 Ca 0.67 0.92 0.05 0.00 -0.96 0.00 0.00 56.93 57.60 3ix4 s PHE 51 Cb -0.22 -3.91 -0.00 0.00 -0.34 0.00 0.00 43.02 38.55 3ix4 s PHE 51 CO 0.50 -1.51 -0.22 0.42 -1.46 0.00 0.00 175.22 172.94 3ix4 s ILE 52 N 4.26 1.88 0.02 3.12 1.01 -1.26 -0.77 121.20 129.47 3ix4 s ILE 52 Ca 0.54 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 60.28 3ix4 s ILE 52 Cb -0.15 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 3ix4 s ILE 52 CO 0.22 0.52 -0.14 -0.69 0.00 0.00 0.00 174.94 174.86 3ix4 s VAL 53 N 0.08 1.11 -3.38 2.92 1.01 0.15 -4.99 120.40 117.31 3ix4 s VAL 53 Ca -0.09 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3ix4 s VAL 53 Cb -0.15 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.26 3ix4 s VAL 53 CO 0.05 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.89 3ix4 n GLY 54 N 2.24 0.78 0.51 4.51 0.00 -1.26 -0.29 105.19 111.67 3ix4 n GLY 54 Ca -0.16 -2.04 0.07 0.00 0.00 0.00 0.00 46.02 43.88 3ix4 n GLY 54 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ix4 n ASN 55 N 2.03 2.51 -4.68 1.61 0.23 -0.90 -5.01 115.26 111.06 3ix4 n ASN 55 Ca 0.00 -3.37 -0.42 0.00 -0.53 0.00 0.00 54.58 50.27 3ix4 n ASN 55 Cb 0.00 -0.50 0.01 0.00 -2.08 0.00 0.00 39.78 37.20 3ix4 n ASN 55 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3ix4 n TYR 56 N -1.15 1.94 -1.64 -2.53 0.53 -1.23 -4.78 117.16 108.30 3ix4 n TYR 56 Ca 0.20 0.54 -0.47 0.00 -1.02 0.00 0.00 57.90 57.15 3ix4 n TYR 56 Cb 0.76 -2.35 -0.04 0.00 -1.03 0.00 0.00 39.34 36.68 3ix4 n TYR 56 CO 0.00 0.00 0.00 -2.30 -1.02 0.00 0.00 176.86 173.54 3ix4 n PRO 57 N 0.24 1.73 -0.32 -0.72 -0.02 -1.26 -4.85 135.00 129.80 3ix4 n PRO 57 Ca 0.07 0.62 0.05 0.00 -2.02 0.00 0.00 63.50 62.22 3ix4 n PRO 57 Cb 0.38 -2.27 0.20 0.00 -0.02 0.00 0.00 33.50 31.79 3ix4 n PRO 57 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ix4 h ALA 58 N 4.52 1.31 -0.30 3.55 0.00 -1.98 -1.80 119.26 124.55 3ix4 h ALA 58 Ca -0.45 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 3ix4 h ALA 58 Cb 1.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3ix4 h ALA 58 CO 0.78 0.12 -0.14 0.00 0.00 0.00 0.00 179.25 180.01 3ix4 h ALA 59 N 1.50 1.22 -0.21 0.00 0.00 -1.99 -1.54 119.26 118.24 3ix4 h ALA 59 Ca 0.44 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3ix4 h ALA 59 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3ix4 h ALA 59 CO -0.27 0.51 0.00 2.35 0.00 0.00 0.00 179.25 181.84 3ix4 h TRP 60 N 0.47 0.39 -0.79 0.00 2.91 -1.72 -1.21 115.95 116.00 3ix4 h TRP 60 Ca 0.08 -0.07 0.04 0.00 1.13 0.00 0.00 58.89 60.08 3ix4 h TRP 60 Cb 0.51 -0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 29.01 3ix4 h TRP 60 CO 0.02 0.55 0.49 0.00 -1.03 0.00 0.00 178.44 178.46 3ix4 h ARG 61 N 0.12 0.90 -0.26 2.65 3.08 -1.05 0.15 114.38 119.97 3ix4 h ARG 61 Ca 0.06 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3ix4 h ARG 61 Cb 0.39 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3ix4 h ARG 61 CO 0.01 0.60 0.12 0.93 -1.07 0.00 0.00 179.97 180.55 3ix4 h GLU 62 N 0.93 0.39 -0.58 0.04 5.08 -1.23 -2.54 114.58 116.67 3ix4 h GLU 62 Ca 0.33 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 3ix4 h GLU 62 Cb 0.09 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3ix4 h GLU 62 CO -0.14 0.41 0.27 1.25 -1.00 0.00 0.00 179.01 179.79 3ix4 h HIS 63 N 0.28 0.84 -0.50 4.33 2.76 -0.83 0.67 115.15 122.71 3ix4 h HIS 63 Ca 0.09 -0.05 0.10 0.00 -2.20 0.00 0.00 60.37 58.31 3ix4 h HIS 63 Cb 0.15 -0.26 -0.09 0.00 1.55 0.00 0.00 27.41 28.77 3ix4 h HIS 63 CO -0.01 0.66 -0.03 -0.92 -1.30 0.00 0.00 177.93 176.32 3ix4 h TYR 64 N 0.79 -0.09 -0.17 5.26 3.20 -0.60 0.26 116.97 125.62 3ix4 h TYR 64 Ca 0.20 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 3ix4 h TYR 64 Cb 0.14 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3ix4 h TYR 64 CO 0.00 -0.14 -0.01 -0.44 -1.64 0.00 0.00 178.16 175.93 3ix4 h ASP 65 N 0.08 0.30 -0.29 -2.11 3.32 -1.18 -1.34 116.42 115.21 3ix4 h ASP 65 Ca 0.25 -0.32 0.05 0.00 0.02 0.00 0.00 57.03 57.03 3ix4 h ASP 65 Cb 0.38 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 3ix4 h ASP 65 CO -0.44 0.55 -0.02 -0.09 -1.72 0.00 0.00 179.24 177.52 3ix4 h ARG 66 N 0.04 0.06 -0.00 3.56 2.43 -0.35 -2.61 114.38 117.51 3ix4 h ARG 66 Ca 0.05 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3ix4 h ARG 66 Cb 0.40 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3ix4 h ARG 66 CO 0.01 0.04 -0.05 0.00 -1.51 0.00 0.00 179.97 178.46 3ix4 n ALA 67 N -2.45 2.56 -3.21 2.80 0.00 0.87 -4.92 120.51 116.16 3ix4 n ALA 67 Ca -0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.09 3ix4 n ALA 67 Cb 0.15 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.22 3ix4 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ix4 n GLY 68 N 1.35 -0.21 0.18 0.00 0.00 -0.98 -4.90 105.19 100.62 3ix4 n GLY 68 Ca 0.12 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.29 3ix4 n GLY 68 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ix4 h TYR 69 N -1.82 0.00 -0.13 1.61 0.05 -1.52 -1.71 116.97 113.45 3ix4 h TYR 69 Ca -0.43 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.39 3ix4 h TYR 69 Cb 1.28 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.02 3ix4 h TYR 69 CO 0.39 0.00 0.13 0.00 -1.05 0.00 0.00 178.16 177.63 3ix4 h ALA 70 N 2.11 1.83 0.00 3.88 0.00 -1.91 0.68 119.26 125.86 3ix4 h ALA 70 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ix4 h ALA 70 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ix4 h ALA 70 CO 0.00 -0.20 -0.23 0.54 0.00 0.00 0.00 179.25 179.36 3ix4 n ARG 71 N -4.00 0.06 -0.03 0.00 1.74 -0.64 -4.43 116.66 109.36 3ix4 n ARG 71 Ca 0.00 0.03 -0.08 0.00 -0.77 0.00 0.00 57.85 57.04 3ix4 n ARG 71 Cb 0.24 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 3ix4 n ARG 71 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3ix4 n VAL 72 N -1.65 0.65 -1.43 1.55 0.31 0.07 -5.00 118.33 112.84 3ix4 n VAL 72 Ca 0.06 -0.02 -0.61 0.00 -0.01 0.00 0.00 64.34 63.76 3ix4 n VAL 72 Cb 0.36 -1.66 -0.11 0.00 -0.91 0.00 0.00 33.84 31.52 3ix4 n VAL 72 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3ix4 n ASP 73 N -3.47 1.09 0.26 4.52 -0.08 0.22 -4.81 116.55 114.28 3ix4 n ASP 73 Ca -0.14 0.81 0.17 0.00 -1.51 0.00 0.00 54.79 54.13 3ix4 n ASP 73 Cb 0.51 -0.94 0.75 0.00 2.34 0.00 0.00 41.12 43.78 3ix4 n ASP 73 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3ix4 h PRO 74 N 8.17 0.00 0.00 -0.67 0.13 -1.89 -2.55 132.00 135.19 3ix4 h PRO 74 Ca -0.23 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.84 3ix4 h PRO 74 Cb 1.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 3ix4 h PRO 74 CO 1.05 0.00 -0.32 1.79 -0.23 0.00 0.00 178.00 180.29 3ix4 h THR 75 N 0.00 0.75 0.43 1.56 1.35 -1.93 -2.99 112.91 112.07 3ix4 h THR 75 Ca 0.00 -1.39 -0.02 0.00 -0.55 0.00 0.00 66.41 64.44 3ix4 h THR 75 Cb 0.36 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 3ix4 h THR 75 CO 0.00 0.31 -0.21 0.58 -0.25 0.00 0.00 175.52 175.96 3ix4 h VAL 76 N 0.00 0.54 -0.65 6.82 2.07 -1.77 -1.18 116.25 122.08 3ix4 h VAL 76 Ca -0.00 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3ix4 h VAL 76 Cb 0.86 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3ix4 h VAL 76 CO 0.04 0.06 0.36 0.77 0.02 0.00 0.00 177.57 178.83 3ix4 h SER 77 N -0.80 0.79 -0.45 0.57 4.64 -1.72 -2.14 113.55 114.44 3ix4 h SER 77 Ca -0.06 -0.05 0.03 0.00 -0.47 0.00 0.00 61.79 61.24 3ix4 h SER 77 Cb 0.54 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.40 3ix4 h SER 77 CO 0.10 0.63 0.24 -0.74 -0.87 0.00 0.00 176.83 176.18 3ix4 h HIS 78 N 0.89 0.44 -0.28 4.77 6.17 -1.40 -2.46 115.15 123.28 3ix4 h HIS 78 Ca 0.23 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.34 3ix4 h HIS 78 Cb 0.01 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 29.79 3ix4 h HIS 78 CO 0.00 0.23 0.19 0.00 0.71 0.00 0.00 177.93 179.07 3ix4 h THR 80 N 0.33 0.00 0.00 0.00 1.35 -1.22 -3.30 112.91 110.06 3ix4 h THR 80 Ca 0.11 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 3ix4 h THR 80 Cb 0.04 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 3ix4 h THR 80 CO -0.02 0.00 -0.98 0.00 -0.25 0.00 0.00 175.52 174.27 3ix4 n GLN 81 N -2.31 1.69 -3.94 4.72 6.02 -0.29 -5.07 117.38 118.19 3ix4 n GLN 81 Ca 0.02 -0.04 -0.09 0.00 -0.01 0.00 0.00 57.00 56.88 3ix4 n GLN 81 Cb 0.24 -1.04 -0.09 0.00 1.02 0.00 0.00 30.24 30.37 3ix4 n GLN 81 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3ix4 s SER 82 N -2.37 0.20 0.00 1.08 0.15 -0.72 -5.02 113.70 107.01 3ix4 s SER 82 Ca -0.01 -0.55 0.23 0.00 0.70 0.00 0.00 55.95 56.33 3ix4 s SER 82 Cb 0.04 0.22 0.14 0.00 -1.71 0.00 0.00 66.02 64.71 3ix4 s SER 82 CO 0.26 -0.50 1.19 1.33 1.20 0.00 0.00 173.24 176.73 3ix4 n VAL 83 N 0.79 0.00 -3.42 4.45 0.24 -1.26 -4.67 118.33 114.46 3ix4 n VAL 83 Ca -0.19 -0.33 -0.31 0.00 -2.04 0.00 0.00 64.34 61.47 3ix4 n VAL 83 Cb 0.58 1.26 -0.05 0.00 -1.47 0.00 0.00 33.84 34.17 3ix4 n VAL 83 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ix4 s LEU 84 N -2.30 4.14 0.60 1.34 1.43 -1.26 -4.59 118.68 118.03 3ix4 s LEU 84 Ca 0.23 0.82 -0.18 0.00 -1.03 0.00 0.00 54.13 53.97 3ix4 s LEU 84 Cb 0.19 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 3ix4 s LEU 84 CO 0.47 -0.10 1.14 -2.16 0.23 0.00 0.00 176.35 175.93 3ix4 s PRO 85 N -3.04 3.06 -0.25 1.29 0.04 -1.26 -4.45 135.00 130.38 3ix4 s PRO 85 Ca 0.46 1.58 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 3ix4 s PRO 85 Cb -0.11 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.49 3ix4 s PRO 85 CO 0.24 -1.08 -0.05 -1.50 0.04 0.00 0.00 177.00 174.65 3ix4 s ILE 86 N -1.94 2.95 0.39 0.56 2.07 -0.42 -4.98 121.20 119.82 3ix4 s ILE 86 Ca 0.72 -1.00 -0.23 0.00 -1.41 0.00 0.00 60.65 58.72 3ix4 s ILE 86 Cb -0.24 -2.50 -0.10 0.00 0.13 0.00 0.00 42.46 39.75 3ix4 s ILE 86 CO 0.33 0.19 0.97 -0.36 -1.91 0.00 0.00 174.94 174.17 3ix4 s PHE 87 N 1.34 3.43 -1.38 3.50 0.40 -1.26 -0.94 117.98 123.05 3ix4 s PHE 87 Ca 0.00 1.68 -0.11 0.00 -0.60 0.00 0.00 56.93 57.90 3ix4 s PHE 87 Cb -0.17 -2.95 -0.06 0.00 0.51 0.00 0.00 43.02 40.36 3ix4 s PHE 87 CO -0.04 -0.14 2.55 0.91 0.70 0.00 0.00 175.22 179.20 3ix4 n TRP 88 N -0.09 2.44 -3.08 0.36 8.01 -0.11 -4.90 117.44 120.07 3ix4 n TRP 88 Ca 0.05 -2.75 -0.31 0.00 -1.31 0.00 0.00 57.50 53.18 3ix4 n TRP 88 Cb 0.52 -2.29 -0.05 0.00 -2.01 0.00 0.00 31.31 27.48 3ix4 n TRP 88 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.69 175.47 3ix4 s GLU 89 N 2.88 3.87 0.55 -0.99 0.41 -1.26 -4.73 118.70 119.43 3ix4 s GLU 89 Ca 0.58 0.51 0.23 0.00 -0.41 0.00 0.00 54.97 55.88 3ix4 s GLU 89 Cb 0.15 -2.45 1.54 0.00 -1.78 0.00 0.00 34.13 31.59 3ix4 s GLU 89 CO -0.05 0.11 2.20 -1.00 -0.49 0.00 0.00 175.26 176.03 3ix4 h PRO 90 N 1.89 0.00 0.00 0.39 0.13 -1.97 -1.82 132.00 130.62 3ix4 h PRO 90 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3ix4 h PRO 90 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3ix4 h PRO 90 CO 0.65 0.01 0.00 0.66 -0.23 0.00 0.00 178.00 179.09 3ix4 h SER 91 N 0.00 0.00 1.54 1.44 4.64 -1.96 -2.82 113.55 116.40 3ix4 h SER 91 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ix4 h SER 91 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3ix4 h SER 91 CO 0.00 0.00 0.00 0.16 -0.87 0.00 0.00 176.83 176.12 3ix4 h ILE 92 N 0.00 0.00 -3.21 0.95 3.07 -1.67 -3.39 117.51 113.26 3ix4 h ILE 92 Ca 0.00 -0.64 -0.75 0.00 1.55 0.00 0.00 64.86 65.02 3ix4 h ILE 92 Cb 0.31 1.61 -0.23 0.00 -0.27 0.00 0.00 36.82 38.25 3ix4 h ILE 92 CO 0.00 0.00 0.13 -0.31 -1.05 0.00 0.00 178.15 176.92 3ix4 s TYR 93 N -3.21 3.35 -0.28 0.16 1.51 -1.06 -4.76 117.35 113.06 3ix4 s TYR 93 Ca 0.08 -1.47 -0.13 0.00 -1.01 0.00 0.00 57.07 54.54 3ix4 s TYR 93 Cb 0.09 -3.93 -0.12 0.00 -0.11 0.00 0.00 41.96 37.89 3ix4 s TYR 93 CO 0.60 -1.15 -0.35 1.04 -1.11 0.00 0.00 175.55 174.58 3ix4 n GLN 94 N 5.26 0.59 -1.93 -0.62 6.02 -1.26 -4.73 117.38 120.71 3ix4 n GLN 94 Ca 0.03 0.25 -0.29 0.00 -0.01 0.00 0.00 57.00 56.97 3ix4 n GLN 94 Cb 0.44 -1.48 0.06 0.00 1.02 0.00 0.00 30.24 30.28 3ix4 n GLN 94 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3ix4 s THR 95 N -2.50 3.15 0.27 5.09 -4.23 -1.26 -4.90 115.64 111.25 3ix4 s THR 95 Ca -0.38 0.32 -0.02 0.00 -1.18 0.00 0.00 61.69 60.43 3ix4 s THR 95 Cb 0.14 -3.36 0.16 0.00 1.34 0.00 0.00 72.50 70.79 3ix4 s THR 95 CO 0.49 -0.47 1.83 0.03 -0.54 0.00 0.00 174.62 175.96 3ix4 h ARG 96 N -0.71 0.91 -0.74 3.99 3.08 -1.99 -0.65 114.38 118.27 3ix4 h ARG 96 Ca -0.45 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.39 3ix4 h ARG 96 Cb 1.27 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 3ix4 h ARG 96 CO 0.64 0.78 0.34 0.87 -1.07 0.00 0.00 179.97 181.53 3ix4 h LYS 97 N 0.88 1.07 -0.04 0.04 1.57 -1.99 -1.92 116.57 116.17 3ix4 h LYS 97 Ca 0.20 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.70 3ix4 h LYS 97 Cb 0.26 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3ix4 h LYS 97 CO -0.01 0.84 -0.54 1.96 -0.57 0.00 0.00 179.45 181.13 3ix4 h GLN 98 N 1.06 0.12 -0.69 3.15 4.20 -1.73 -0.78 115.11 120.43 3ix4 h GLN 98 Ca 0.25 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 3ix4 h GLN 98 Cb 0.13 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 3ix4 h GLN 98 CO -0.03 0.63 0.31 0.45 -0.67 0.00 0.00 178.83 179.53 3ix4 h HIS 99 N 0.09 1.02 -0.52 2.96 3.86 -0.80 -0.37 115.15 121.39 3ix4 h HIS 99 Ca -0.00 -0.06 -0.10 0.00 -1.16 0.00 0.00 60.37 59.05 3ix4 h HIS 99 Cb 0.99 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 3ix4 h HIS 99 CO 0.01 0.77 -0.05 1.49 0.86 0.00 0.00 177.93 181.00 3ix4 h GLU 100 N 0.97 0.95 -0.30 2.45 4.81 -1.08 -1.75 114.58 120.64 3ix4 h GLU 100 Ca 0.23 -0.33 0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3ix4 h GLU 100 Cb 0.15 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 3ix4 h GLU 100 CO -0.03 1.00 0.09 0.35 -0.73 0.00 0.00 179.01 179.69 3ix4 h PHE 101 N 0.82 0.15 -0.36 0.92 3.57 -0.92 0.88 116.94 122.01 3ix4 h PHE 101 Ca 0.14 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.70 3ix4 h PHE 101 Cb 0.60 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 3ix4 h PHE 101 CO 0.04 0.06 0.10 0.35 -2.23 0.00 0.00 178.31 176.64 3ix4 h PHE 102 N 0.21 0.18 -0.62 0.41 3.57 -0.91 -0.10 116.94 119.67 3ix4 h PHE 102 Ca 0.14 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 3ix4 h PHE 102 Cb 0.12 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 3ix4 h PHE 102 CO -0.15 0.06 0.36 0.93 -2.23 0.00 0.00 178.31 177.28 3ix4 h GLU 103 N 0.24 0.86 -0.19 1.11 5.08 -0.86 -0.48 114.58 120.33 3ix4 h GLU 103 Ca 0.17 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3ix4 h GLU 103 Cb 0.17 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3ix4 h GLU 103 CO -0.19 0.63 -0.17 0.93 -1.00 0.00 0.00 179.01 179.21 3ix4 h GLU 104 N 0.84 0.45 -0.99 2.33 4.39 -0.57 -1.25 114.58 119.78 3ix4 h GLU 104 Ca 0.22 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.70 3ix4 h GLU 104 Cb 0.01 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.61 3ix4 h GLU 104 CO -0.04 0.79 0.66 0.00 -1.16 0.00 0.00 179.01 179.26 3ix4 h ALA 105 N 0.65 1.29 -0.63 3.43 0.00 -0.97 -2.38 119.26 120.66 3ix4 h ALA 105 Ca 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3ix4 h ALA 105 Cb 0.70 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3ix4 h ALA 105 CO 0.04 0.66 0.27 1.03 0.00 0.00 0.00 179.25 181.25 3ix4 h SER 106 N 1.35 0.84 -0.91 0.00 0.87 -0.94 0.43 113.55 115.20 3ix4 h SER 106 Ca 0.36 -0.15 0.09 0.00 -1.23 0.00 0.00 61.79 60.86 3ix4 h SER 106 Cb -0.16 -0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 61.52 3ix4 h SER 106 CO -0.08 0.76 0.59 0.00 -0.53 0.00 0.00 176.83 177.57 3ix4 h ALA 107 N 1.11 1.60 0.00 6.23 0.00 -0.85 0.24 119.26 127.59 3ix4 h ALA 107 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ix4 h ALA 107 Cb 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ix4 h ALA 107 CO -0.02 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.45 3ix4 n ALA 108 N -2.40 2.34 -0.49 0.00 0.00 -0.80 -4.86 120.51 114.31 3ix4 n ALA 108 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3ix4 n ALA 108 Cb 0.29 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3ix4 n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ix4 n GLY 109 N 0.44 0.75 3.09 0.00 0.00 0.85 -4.84 105.19 105.48 3ix4 n GLY 109 Ca 0.17 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3ix4 n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ix4 s LEU 110 N 0.00 5.37 -0.08 0.99 1.43 0.08 -4.81 118.68 121.66 3ix4 s LEU 110 Ca 0.00 -3.37 -0.00 0.00 -1.03 0.00 0.00 54.13 49.72 3ix4 s LEU 110 Cb 0.00 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 3ix4 s LEU 110 CO 0.00 -0.25 -0.08 0.55 0.23 0.00 0.00 176.35 176.80 3ix4 n VAL 111 N 2.78 0.46 -4.49 -1.59 3.14 -1.26 -3.17 118.33 114.20 3ix4 n VAL 111 Ca 0.16 -0.17 -0.34 0.00 -2.96 0.00 0.00 64.34 61.03 3ix4 n VAL 111 Cb 0.37 -0.95 -0.11 0.00 -1.06 0.00 0.00 33.84 32.10 3ix4 n VAL 111 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 3ix4 s TYR 112 N -2.16 3.04 -4.89 1.45 4.12 -1.26 -4.93 117.35 112.72 3ix4 s TYR 112 Ca -0.11 0.05 0.00 0.00 0.02 0.00 0.00 57.07 57.03 3ix4 s TYR 112 Cb 0.03 -1.78 0.00 0.00 -1.52 0.00 0.00 41.96 38.69 3ix4 s TYR 112 CO 0.18 0.34 0.00 0.41 0.02 0.00 0.00 175.55 176.50 3ix4 n GLY 113 N 2.37 -0.91 3.30 0.71 0.00 -1.26 -1.53 105.19 107.87 3ix4 n GLY 113 Ca -0.18 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.57 3ix4 n GLY 113 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3ix4 s LEU 114 N 0.00 0.54 -0.15 0.99 2.34 -0.73 -0.94 118.68 120.73 3ix4 s LEU 114 Ca 0.00 -0.28 0.02 0.00 0.06 0.00 0.00 54.13 53.92 3ix4 s LEU 114 Cb 0.00 1.71 0.02 0.00 -0.56 0.00 0.00 46.19 47.35 3ix4 s LEU 114 CO 0.00 -0.79 -0.18 -0.89 -1.06 0.00 0.00 176.35 173.43 3ix4 s THR 115 N -3.48 1.84 -0.35 5.48 2.01 -0.12 -1.45 115.64 119.57 3ix4 s THR 115 Ca 0.01 -0.83 -0.14 0.00 0.31 0.00 0.00 61.69 61.04 3ix4 s THR 115 Cb 0.02 -1.67 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 3ix4 s THR 115 CO -0.10 0.51 0.28 -0.04 -0.69 0.00 0.00 174.62 174.58 3ix4 s MET 116 N 1.11 3.46 0.56 4.92 -1.94 0.92 -1.30 119.30 127.03 3ix4 s MET 116 Ca -0.01 -0.62 -0.21 0.00 -1.71 0.00 0.00 55.69 53.14 3ix4 s MET 116 Cb -0.14 -3.83 -0.04 0.00 2.01 0.00 0.00 34.83 32.83 3ix4 s MET 116 CO -0.06 -0.50 1.30 -2.14 -0.01 0.00 0.00 175.02 173.60 3ix4 s PRO 117 N 1.81 3.08 -0.11 2.03 0.02 -1.26 -0.43 135.00 140.13 3ix4 s PRO 117 Ca 0.08 2.08 0.04 0.00 0.02 0.00 0.00 61.00 63.21 3ix4 s PRO 117 Cb -0.17 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 32.21 3ix4 s PRO 117 CO 0.11 -1.19 -0.23 -0.51 -0.33 0.00 0.00 177.00 174.85 3ix4 s LEU 118 N -3.71 2.08 -0.27 -5.54 1.43 0.12 -4.81 118.68 107.98 3ix4 s LEU 118 Ca 0.74 -0.56 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3ix4 s LEU 118 Cb -0.37 -1.40 0.09 0.00 0.03 0.00 0.00 46.19 44.54 3ix4 s LEU 118 CO 0.42 0.13 0.09 -1.00 0.23 0.00 0.00 176.35 176.22 3ix4 s HIS 119 N 0.48 1.11 0.68 0.29 3.76 -1.26 -0.94 115.29 119.41 3ix4 s HIS 119 Ca -0.16 -1.22 -0.11 0.00 -0.15 0.00 0.00 55.06 53.42 3ix4 s HIS 119 Cb -0.17 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.25 3ix4 s HIS 119 CO 0.06 -0.78 1.07 0.20 -0.85 0.00 0.00 174.74 174.44 3ix4 s GLY 120 N 1.83 1.63 0.63 -2.22 0.00 -0.50 -4.93 107.32 103.76 3ix4 s GLY 120 Ca 0.06 -0.32 0.39 0.00 0.00 0.00 0.00 44.72 44.84 3ix4 s GLY 120 CO -0.23 0.02 2.29 0.00 0.00 0.00 0.00 173.10 175.19 3ix4 h ALA 121 N -0.57 1.16 -0.32 3.20 0.00 -1.98 -2.14 119.26 118.63 3ix4 h ALA 121 Ca -0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 3ix4 h ALA 121 Cb 1.24 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 3ix4 h ALA 121 CO 0.63 0.01 -0.02 0.54 0.00 0.00 0.00 179.25 180.42 3ix4 n ARG 122 N -3.33 2.31 -0.80 0.00 5.12 -1.26 -4.95 116.66 113.74 3ix4 n ARG 122 Ca -0.03 -3.00 0.00 0.00 -1.93 0.00 0.00 57.85 52.89 3ix4 n ARG 122 Cb 0.11 -1.83 0.00 0.00 -1.16 0.00 0.00 32.46 29.58 3ix4 n ARG 122 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ix4 n GLY 123 N -0.87 0.58 3.77 -0.13 0.00 -0.80 -4.47 105.19 103.27 3ix4 n GLY 123 Ca 0.28 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3ix4 n GLY 123 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ix4 s GLU 124 N -0.50 3.85 -0.12 1.61 8.01 -1.26 -3.69 118.70 126.60 3ix4 s GLU 124 Ca 0.00 2.41 0.01 0.00 0.01 0.00 0.00 54.97 57.40 3ix4 s GLU 124 Cb 0.00 -2.76 0.02 0.00 -4.31 0.00 0.00 34.13 27.08 3ix4 s GLU 124 CO 0.00 -0.68 -0.12 -1.17 0.01 0.00 0.00 175.26 173.29 3ix4 s LEU 125 N -2.50 1.54 0.00 1.80 2.96 -0.28 -1.41 118.68 120.78 3ix4 s LEU 125 Ca 0.58 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 54.08 3ix4 s LEU 125 Cb -0.43 -1.02 0.01 0.00 0.50 0.00 0.00 46.19 45.24 3ix4 s LEU 125 CO 0.57 -0.05 0.14 0.61 -1.32 0.00 0.00 176.35 176.30 3ix4 n GLY 126 N 4.58 2.55 3.32 7.98 0.00 -0.12 0.54 105.19 124.05 3ix4 n GLY 126 Ca -0.17 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 3ix4 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ix4 s ALA 127 N -1.69 -1.09 -0.32 4.61 0.00 0.01 -0.70 121.76 122.57 3ix4 s ALA 127 Ca 0.06 1.32 -0.07 0.00 0.00 0.00 0.00 51.96 53.27 3ix4 s ALA 127 Cb -0.01 -0.78 0.02 0.00 0.00 0.00 0.00 23.12 22.36 3ix4 s ALA 127 CO 0.05 -0.22 0.10 -1.17 0.00 0.00 0.00 175.76 174.52 3ix4 s LEU 128 N 0.52 4.13 -0.11 0.00 2.96 0.42 -1.47 118.68 125.13 3ix4 s LEU 128 Ca -0.02 -0.91 -0.04 0.00 -0.22 0.00 0.00 54.13 52.94 3ix4 s LEU 128 Cb -0.04 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 3ix4 s LEU 128 CO -0.03 -0.27 0.02 -0.44 -1.32 0.00 0.00 176.35 174.32 3ix4 s SER 129 N 1.47 5.39 -0.03 3.68 0.01 0.21 -0.05 113.70 124.37 3ix4 s SER 129 Ca 0.01 0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.42 3ix4 s SER 129 Cb -0.18 -1.67 0.02 0.00 0.21 0.00 0.00 66.02 64.40 3ix4 s SER 129 CO 0.03 0.32 -0.03 -0.76 0.41 0.00 0.00 173.24 173.21 3ix4 s LEU 130 N -0.54 1.39 0.04 2.44 1.02 -0.53 -1.01 118.68 121.49 3ix4 s LEU 130 Ca 0.10 -0.09 0.04 0.00 0.02 0.00 0.00 54.13 54.20 3ix4 s LEU 130 Cb -0.12 -0.36 -0.04 0.00 0.02 0.00 0.00 46.19 45.70 3ix4 s LEU 130 CO 0.02 -0.05 -0.06 -0.55 0.02 0.00 0.00 176.35 175.73 3ix4 s SER 131 N 0.78 4.64 -0.00 2.29 0.15 0.17 -1.78 113.70 119.94 3ix4 s SER 131 Ca -0.09 -0.21 0.08 0.00 0.70 0.00 0.00 55.95 56.42 3ix4 s SER 131 Cb -0.13 -1.04 -0.02 0.00 -1.71 0.00 0.00 66.02 63.12 3ix4 s SER 131 CO -0.00 0.24 -0.24 0.54 1.20 0.00 0.00 173.24 174.97 3ix4 s VAL 132 N -1.11 1.91 -0.06 4.45 0.11 -0.58 -2.26 120.40 122.85 3ix4 s VAL 132 Ca 0.20 -1.09 -0.27 0.00 -2.93 0.00 0.00 61.98 57.88 3ix4 s VAL 132 Cb -0.11 -1.60 -0.03 0.00 -1.53 0.00 0.00 36.38 33.11 3ix4 s VAL 132 CO 0.11 0.48 0.87 -1.61 -3.33 0.00 0.00 175.10 171.62 3ix4 s GLU 133 N -0.72 4.46 0.14 1.54 8.01 -1.26 -4.30 118.70 126.57 3ix4 s GLU 133 Ca 0.09 1.18 -0.11 0.00 0.01 0.00 0.00 54.97 56.14 3ix4 s GLU 133 Cb -0.09 -3.48 0.01 0.00 -4.31 0.00 0.00 34.13 26.25 3ix4 s GLU 133 CO -0.00 -0.09 0.31 0.00 0.01 0.00 0.00 175.26 175.49 3ix4 s ALA 134 N 1.25 -0.38 -0.23 5.21 0.00 -1.26 -4.96 121.76 121.39 3ix4 s ALA 134 Ca 0.45 -0.55 0.18 0.00 0.00 0.00 0.00 51.96 52.03 3ix4 s ALA 134 Cb -0.19 0.72 0.17 0.00 0.00 0.00 0.00 23.12 23.82 3ix4 s ALA 134 CO 0.21 -0.63 1.50 0.93 0.00 0.00 0.00 175.76 177.77 3ix4 h GLU 135 N 2.52 0.00 -2.90 0.00 4.39 -1.96 -3.48 114.58 113.15 3ix4 h GLU 135 Ca -0.32 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.46 3ix4 h GLU 135 Cb 1.23 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.82 3ix4 h GLU 135 CO 0.49 0.35 0.27 0.54 -1.16 0.00 0.00 179.01 179.50 3ix4 s ASN 136 N -6.38 -0.25 0.38 1.42 2.20 -1.26 -5.04 114.94 106.01 3ix4 s ASN 136 Ca 0.05 -0.57 0.11 0.00 -0.94 0.00 0.00 52.86 51.51 3ix4 s ASN 136 Cb 0.07 0.69 0.77 0.00 -2.00 0.00 0.00 41.25 40.78 3ix4 s ASN 136 CO 0.72 -1.27 1.88 -0.09 -2.94 0.00 0.00 177.10 175.40 3ix4 h ARG 137 N 2.00 0.13 -0.38 3.55 2.43 -1.99 -2.12 114.38 118.00 3ix4 h ARG 137 Ca -0.20 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 3ix4 h ARG 137 Cb 1.25 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 3ix4 h ARG 137 CO 0.24 0.36 0.20 0.00 -1.51 0.00 0.00 179.97 179.26 3ix4 h ALA 138 N 1.64 0.49 -0.51 2.80 0.00 -1.99 -0.15 119.26 121.55 3ix4 h ALA 138 Ca 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ix4 h ALA 138 Cb 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ix4 h ALA 138 CO 0.03 0.03 0.28 1.49 0.00 0.00 0.00 179.25 181.08 3ix4 h GLU 139 N 0.48 0.71 -0.50 0.00 4.81 -1.89 -1.88 114.58 116.31 3ix4 h GLU 139 Ca 0.13 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3ix4 h GLU 139 Cb 0.08 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 3ix4 h GLU 139 CO -0.02 0.55 0.32 0.00 -0.73 0.00 0.00 179.01 179.13 3ix4 h ALA 140 N 1.12 0.63 -0.57 2.92 0.00 -1.17 -1.92 119.26 120.28 3ix4 h ALA 140 Ca 0.18 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3ix4 h ALA 140 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3ix4 h ALA 140 CO -0.03 0.06 0.03 -0.91 0.00 0.00 0.00 179.25 178.40 3ix4 h ASN 141 N 0.66 0.91 -0.44 0.00 2.35 -0.83 -0.18 115.58 118.06 3ix4 h ASN 141 Ca 0.19 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3ix4 h ASN 141 Cb -0.05 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 3ix4 h ASN 141 CO -0.05 0.95 0.21 0.03 -1.65 0.00 0.00 177.43 176.92 3ix4 h ARG 142 N 0.88 0.63 -0.13 0.81 3.08 -1.17 -1.29 114.38 117.19 3ix4 h ARG 142 Ca 0.17 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 3ix4 h ARG 142 Cb 0.47 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3ix4 h ARG 142 CO 0.02 0.54 0.07 0.35 -1.07 0.00 0.00 179.97 179.88 3ix4 h PHE 143 N 0.56 0.18 -0.81 3.04 3.57 -1.05 -2.46 116.94 119.96 3ix4 h PHE 143 Ca 0.15 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3ix4 h PHE 143 Cb 0.13 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 3ix4 h PHE 143 CO -0.01 0.21 0.45 0.52 -2.23 0.00 0.00 178.31 177.24 3ix4 h MET 144 N 0.10 1.12 -0.54 1.11 2.86 -0.94 -2.01 114.93 116.63 3ix4 h MET 144 Ca 0.04 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 3ix4 h MET 144 Cb 0.09 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 3ix4 h MET 144 CO -0.01 0.82 0.17 1.49 1.06 0.00 0.00 176.91 180.45 3ix4 h GLU 145 N 1.13 0.81 0.00 1.72 4.81 -1.18 -1.28 114.58 120.58 3ix4 h GLU 145 Ca 0.29 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3ix4 h GLU 145 Cb 0.02 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 3ix4 h GLU 145 CO -0.05 0.70 -0.15 0.66 -0.73 0.00 0.00 179.01 179.44 3ix4 h SER 146 N 0.79 0.00 -0.01 1.04 4.64 -0.88 -3.18 113.55 115.95 3ix4 h SER 146 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3ix4 h SER 146 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3ix4 h SER 146 CO -0.01 0.15 -0.03 1.33 -0.87 0.00 0.00 176.83 177.41 3ix4 n VAL 147 N -3.50 0.00 -0.24 0.95 0.24 -1.09 -4.82 118.33 109.87 3ix4 n VAL 147 Ca -0.01 -0.49 0.02 0.00 -2.04 0.00 0.00 64.34 61.83 3ix4 n VAL 147 Cb 0.31 1.11 0.15 0.00 -1.47 0.00 0.00 33.84 33.93 3ix4 n VAL 147 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3ix4 h LEU 148 N 1.01 0.34 -1.35 1.34 5.85 -1.21 -1.39 115.31 119.90 3ix4 h LEU 148 Ca 0.00 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3ix4 h LEU 148 Cb 0.23 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3ix4 h LEU 148 CO 0.00 0.18 0.18 -0.65 -0.34 0.00 0.00 178.44 177.81 3ix4 h PRO 149 N 0.50 0.62 -0.14 5.25 0.11 -1.87 -0.21 132.00 136.26 3ix4 h PRO 149 Ca 0.36 -0.08 -0.04 0.00 0.11 0.00 0.00 66.00 66.35 3ix4 h PRO 149 Cb 0.46 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 3ix4 h PRO 149 CO -0.32 0.52 -0.06 1.15 -0.21 0.00 0.00 178.00 179.08 3ix4 h THR 150 N 0.62 1.31 -1.00 -1.15 2.02 -1.65 -2.91 112.91 110.15 3ix4 h THR 150 Ca 0.15 -1.07 0.09 0.00 0.77 0.00 0.00 66.41 66.35 3ix4 h THR 150 Cb 0.12 1.73 -0.07 0.00 -1.74 0.00 0.00 68.15 68.19 3ix4 h THR 150 CO -0.02 0.31 0.64 -0.07 0.37 0.00 0.00 175.52 176.75 3ix4 h LEU 151 N -0.05 0.98 -0.96 2.58 3.38 -1.04 -0.39 115.31 119.81 3ix4 h LEU 151 Ca 0.03 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3ix4 h LEU 151 Cb 0.51 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3ix4 h LEU 151 CO 0.02 0.58 0.17 -0.25 0.09 0.00 0.00 178.44 179.05 3ix4 h TRP 152 N 1.09 0.95 -0.09 1.13 2.91 -0.94 -0.85 115.95 120.14 3ix4 h TRP 152 Ca 0.46 -0.09 -0.06 0.00 1.13 0.00 0.00 58.89 60.33 3ix4 h TRP 152 Cb 0.30 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 3ix4 h TRP 152 CO -0.00 0.78 -0.18 0.52 -1.03 0.00 0.00 178.44 178.52 3ix4 h MET 153 N 0.89 0.28 -0.71 2.65 2.86 -1.27 -3.32 114.93 116.31 3ix4 h MET 153 Ca 0.20 -0.18 0.14 0.00 -2.06 0.00 0.00 59.70 57.80 3ix4 h MET 153 Cb 0.29 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 31.87 3ix4 h MET 153 CO -0.00 0.78 0.21 1.25 1.06 0.00 0.00 176.91 180.20 3ix4 h LEU 154 N -0.17 0.10 -1.37 1.22 5.85 -0.65 -2.25 115.31 118.03 3ix4 h LEU 154 Ca 0.00 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3ix4 h LEU 154 Cb 0.77 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 3ix4 h LEU 154 CO 0.04 0.02 0.04 0.07 -0.34 0.00 0.00 178.44 178.27 3ix4 h LYS 155 N 0.32 0.46 -0.02 1.25 5.09 -1.27 0.12 116.57 122.52 3ix4 h LYS 155 Ca 0.39 -0.08 -0.24 0.00 0.09 0.00 0.00 60.65 60.81 3ix4 h LYS 155 Cb 0.63 -0.08 0.02 0.00 0.10 0.00 0.00 32.23 32.91 3ix4 h LYS 155 CO -0.45 0.46 -0.94 -0.44 -2.09 0.00 0.00 179.45 175.98 3ix4 h ASP 156 N 0.45 0.86 -0.76 7.07 3.32 -1.54 -1.30 116.42 124.51 3ix4 h ASP 156 Ca 0.10 -0.73 0.02 0.00 0.02 0.00 0.00 57.03 56.44 3ix4 h ASP 156 Cb 0.24 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 3ix4 h ASP 156 CO 0.00 1.47 0.50 1.88 -1.72 0.00 0.00 179.24 181.37 3ix4 h TYR 157 N 0.33 0.94 -0.68 4.55 0.99 -1.02 -0.96 116.97 121.12 3ix4 h TYR 157 Ca -0.11 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.56 3ix4 h TYR 157 Cb 1.60 -0.31 -0.03 0.00 1.00 0.00 0.00 36.73 38.99 3ix4 h TYR 157 CO 0.11 0.57 0.12 0.00 -0.00 0.00 0.00 178.16 178.96 3ix4 h ALA 158 N 1.30 0.91 -0.09 3.88 0.00 -0.77 -2.25 119.26 122.22 3ix4 h ALA 158 Ca 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ix4 h ALA 158 Cb -0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 3ix4 h ALA 158 CO -0.08 0.67 0.03 1.25 0.00 0.00 0.00 179.25 181.11 3ix4 h LEU 159 N 1.05 0.14 -0.49 0.00 5.85 -0.93 -0.05 115.31 120.89 3ix4 h LEU 159 Ca 0.21 -0.22 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3ix4 h LEU 159 Cb 0.43 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3ix4 h LEU 159 CO 0.01 0.32 0.18 -0.61 -0.34 0.00 0.00 178.44 178.00 3ix4 h GLN 160 N -0.05 0.74 -0.19 1.25 5.75 -1.12 -1.27 115.11 120.23 3ix4 h GLN 160 Ca 0.03 -0.14 -0.07 0.00 -0.15 0.00 0.00 58.65 58.32 3ix4 h GLN 160 Cb 0.23 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.66 3ix4 h GLN 160 CO -0.00 0.67 -0.16 1.03 -2.65 0.00 0.00 178.83 177.72 3ix4 h SER 161 N 0.65 0.47 1.19 -0.69 0.87 -1.42 -3.32 113.55 111.29 3ix4 h SER 161 Ca 0.16 -0.46 -0.08 0.00 -1.23 0.00 0.00 61.79 60.18 3ix4 h SER 161 Cb 0.22 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3ix4 h SER 161 CO -0.01 0.83 -0.39 1.23 -0.53 0.00 0.00 176.83 177.96 3ix4 h GLY 162 N 0.11 0.00 1.01 5.77 0.00 -0.89 -3.14 103.07 105.92 3ix4 h GLY 162 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 3ix4 h GLY 162 CO 0.04 0.00 0.24 0.00 0.00 0.00 0.00 176.54 176.82 3ix4 h ALA 163 N 1.61 0.84 -0.35 3.60 0.00 -1.33 -0.78 119.26 122.85 3ix4 h ALA 163 Ca -0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3ix4 h ALA 163 Cb 1.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3ix4 h ALA 163 CO 0.05 0.47 -0.25 0.78 0.00 0.00 0.00 179.25 180.30 3ix4 h GLY 164 N 0.91 0.86 0.91 0.00 0.00 -1.69 -1.75 103.07 102.31 3ix4 h GLY 164 Ca 0.21 -0.83 0.02 0.00 0.00 0.00 0.00 47.33 46.74 3ix4 h GLY 164 CO -0.01 0.75 0.48 -2.00 0.00 0.00 0.00 176.54 175.76 3ix4 h LEU 165 N 0.58 0.80 -0.23 3.11 5.85 -1.48 -0.80 115.31 123.14 3ix4 h LEU 165 Ca 0.07 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 3ix4 h LEU 165 Cb 0.82 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 3ix4 h LEU 165 CO 0.07 0.56 -0.34 0.00 -0.34 0.00 0.00 178.44 178.39 3ix4 h ALA 166 N 1.31 0.35 0.00 1.25 0.00 -1.03 -3.40 119.26 117.74 3ix4 h ALA 166 Ca 0.29 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ix4 h ALA 166 Cb -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ix4 h ALA 166 CO -0.10 0.41 0.00 1.19 0.00 0.00 0.00 179.25 180.75 3ix4 n PHE 167 N -4.27 0.00 -0.22 0.00 0.99 -0.67 -5.07 117.46 108.22 3ix4 n PHE 167 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.40 3ix4 n PHE 167 Cb 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.98 3ix4 n PHE 167 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85