#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ix4 h ALA 2 N 0.00 1.61 -0.88 3.04 0.00 -2.09 -2.90 119.26 118.04 3ix4 h ALA 2 Ca 0.00 -0.07 0.23 0.00 0.00 0.00 0.00 54.91 55.08 3ix4 h ALA 2 Cb 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 17.79 17.48 3ix4 h ALA 2 CO 0.00 0.33 0.31 1.25 0.00 0.00 0.00 179.25 181.14 3ix4 h LEU 3 N 0.60 0.14 -2.23 0.00 5.85 -2.09 -2.18 115.31 115.39 3ix4 h LEU 3 Ca 0.16 0.18 0.00 0.00 0.84 0.00 0.00 57.88 59.06 3ix4 h LEU 3 Cb 0.01 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3ix4 h LEU 3 CO -0.03 -0.10 0.00 1.33 -0.34 0.00 0.00 178.44 179.30 3ix4 n VAL 4 N -5.15 0.48 -0.32 1.05 0.24 -1.10 -4.60 118.33 108.92 3ix4 n VAL 4 Ca 0.22 -0.74 0.13 0.00 -2.04 0.00 0.00 64.34 61.91 3ix4 n VAL 4 Cb 0.68 0.96 0.31 0.00 -1.47 0.00 0.00 33.84 34.32 3ix4 n VAL 4 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 3ix4 h ASP 5 N 3.41 0.52 -0.95 -1.34 1.82 -1.30 -1.26 116.42 117.31 3ix4 h ASP 5 Ca 0.00 0.13 0.03 0.00 -0.39 0.00 0.00 57.03 56.80 3ix4 h ASP 5 Cb 0.81 0.06 -0.05 0.00 0.68 0.00 0.00 39.33 40.82 3ix4 h ASP 5 CO 0.00 0.11 0.63 1.23 -1.61 0.00 0.00 179.24 179.59 3ix4 h GLY 6 N 0.54 1.37 2.00 -0.78 0.00 -1.81 -2.74 103.07 101.65 3ix4 h GLY 6 Ca 0.56 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 3ix4 h GLY 6 CO -0.46 0.42 -0.10 0.74 0.00 0.00 0.00 176.54 177.14 3ix4 h PHE 7 N 1.21 0.00 -0.05 5.60 0.04 -1.57 -2.95 116.94 119.23 3ix4 h PHE 7 Ca 0.37 0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.16 3ix4 h PHE 7 Cb -0.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 3ix4 h PHE 7 CO -0.00 0.10 0.06 -0.07 -0.60 0.00 0.00 178.31 177.80 3ix4 h LEU 8 N 0.00 0.00 -1.84 1.54 -0.00 -1.51 -2.77 115.31 110.73 3ix4 h LEU 8 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 3ix4 h LEU 8 Cb 0.37 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.02 3ix4 h LEU 8 CO 0.01 0.00 -0.12 -0.08 -0.00 0.00 0.00 178.44 178.25 3ix4 h GLU 9 N 0.00 0.00 -0.48 1.13 4.81 -1.71 -2.55 114.58 115.79 3ix4 h GLU 9 Ca 0.03 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3ix4 h GLU 9 Cb 0.14 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3ix4 h GLU 9 CO -0.00 0.12 0.06 -0.07 -0.73 0.00 0.00 179.01 178.39 3ix4 h LEU 10 N 0.00 0.71 -0.57 1.64 3.38 -1.73 -2.84 115.31 115.89 3ix4 h LEU 10 Ca -0.00 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 3ix4 h LEU 10 Cb 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3ix4 h LEU 10 CO 0.02 0.74 -0.47 -0.33 0.09 0.00 0.00 178.44 178.49 3ix4 h GLU 11 N 0.72 0.00 -0.63 1.13 4.39 -1.65 -3.26 114.58 115.29 3ix4 h GLU 11 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3ix4 h GLU 11 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3ix4 h GLU 11 CO 0.01 0.47 0.00 0.54 -1.16 0.00 0.00 179.01 178.86 3ix4 n ARG 12 N -3.43 3.02 -1.84 2.33 3.00 -1.08 -4.93 116.66 113.73 3ix4 n ARG 12 Ca 0.00 -2.32 -0.30 0.00 -0.01 0.00 0.00 57.85 55.22 3ix4 n ARG 12 Cb 0.61 -1.70 0.04 0.00 0.00 0.00 0.00 32.46 31.41 3ix4 n ARG 12 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3ix4 s SER 13 N -0.87 5.62 -0.24 0.55 1.04 -1.17 -5.07 113.70 113.57 3ix4 s SER 13 Ca 0.42 1.26 0.02 0.00 0.48 0.00 0.00 55.95 58.13 3ix4 s SER 13 Cb 0.26 -2.13 0.05 0.00 0.10 0.00 0.00 66.02 64.29 3ix4 s SER 13 CO 0.23 -1.24 -0.11 -0.94 0.98 0.00 0.00 173.24 172.16 3ix4 s SER 14 N -4.24 4.00 0.02 7.02 1.04 -1.26 -4.99 113.70 115.28 3ix4 s SER 14 Ca 0.57 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.82 3ix4 s SER 14 Cb -0.11 -1.41 0.00 0.00 0.10 0.00 0.00 66.02 64.60 3ix4 s SER 14 CO 0.53 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.19 3ix4 n GLY 15 N 4.54 -2.05 0.20 7.32 0.00 -1.26 -4.08 105.19 109.86 3ix4 n GLY 15 Ca -0.14 -1.48 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.05 0.64 -0.17 1.61 3.64 -1.98 -2.43 116.57 117.83 3ix4 h LYS 16 Ca -0.00 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.28 3ix4 h LYS 16 Cb 0.05 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3ix4 h LYS 16 CO 0.00 0.60 -0.01 1.25 -2.27 0.00 0.00 179.45 179.02 3ix4 h LEU 17 N 0.54 -0.08 -0.52 5.20 7.12 -1.99 0.21 115.31 125.78 3ix4 h LEU 17 Ca 0.14 0.04 -0.07 0.00 0.13 0.00 0.00 57.88 58.12 3ix4 h LEU 17 Cb 0.21 0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 40.39 3ix4 h LEU 17 CO -0.01 -0.02 0.06 -0.08 -0.13 0.00 0.00 178.44 178.26 3ix4 h GLU 18 N 0.04 0.88 -0.39 1.25 4.81 -1.70 -1.37 114.58 118.10 3ix4 h GLU 18 Ca 0.08 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3ix4 h GLU 18 Cb 0.10 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3ix4 h GLU 18 CO -0.14 0.87 0.25 2.35 -0.73 0.00 0.00 179.01 181.61 3ix4 h TRP 19 N 0.76 0.50 -0.88 0.92 7.01 -1.11 -1.08 115.95 122.07 3ix4 h TRP 19 Ca 0.16 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.18 3ix4 h TRP 19 Cb 0.43 -0.17 -0.05 0.00 -2.10 0.00 0.00 29.16 27.28 3ix4 h TRP 19 CO 0.03 0.33 0.58 0.66 -2.79 0.00 0.00 178.44 177.25 3ix4 h SER 20 N 0.52 0.97 -0.50 2.65 4.64 -0.46 -1.56 113.55 119.82 3ix4 h SER 20 Ca 0.14 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 3ix4 h SER 20 Cb -0.03 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 3ix4 h SER 20 CO -0.03 0.68 0.20 0.00 -0.87 0.00 0.00 176.83 176.82 3ix4 h ALA 21 N 1.35 0.65 0.00 5.18 0.00 -0.72 -1.48 119.26 124.24 3ix4 h ALA 21 Ca 0.34 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ix4 h ALA 21 Cb -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3ix4 h ALA 21 CO -0.10 0.26 -0.00 0.82 0.00 0.00 0.00 179.25 180.23 3ix4 h ILE 22 N 0.67 1.14 -0.57 0.00 2.04 -0.98 -2.03 117.51 117.79 3ix4 h ILE 22 Ca 0.17 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3ix4 h ILE 22 Cb 0.19 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 3ix4 h ILE 22 CO -0.01 0.11 0.34 0.25 0.00 0.00 0.00 178.15 178.84 3ix4 h LEU 23 N -0.19 0.69 -0.61 1.44 5.85 -1.24 -1.26 115.31 120.00 3ix4 h LEU 23 Ca -0.00 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.69 3ix4 h LEU 23 Cb 0.19 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3ix4 h LEU 23 CO 0.00 0.55 0.36 1.56 -0.34 0.00 0.00 178.44 180.57 3ix4 h GLN 24 N 0.77 0.68 -0.55 1.25 4.20 -1.24 -1.63 115.11 118.59 3ix4 h GLN 24 Ca 0.20 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 3ix4 h GLN 24 Cb -0.01 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 3ix4 h GLN 24 CO -0.04 0.45 0.01 -0.22 -0.67 0.00 0.00 178.83 178.37 3ix4 h LYS 25 N 0.70 0.96 -0.42 1.46 3.64 -1.01 0.17 116.57 122.08 3ix4 h LYS 25 Ca 0.25 -0.30 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3ix4 h LYS 25 Cb 0.06 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3ix4 h LYS 25 CO -0.12 0.96 0.22 0.52 -2.27 0.00 0.00 179.45 178.77 3ix4 h MET 26 N 0.84 0.44 -0.51 1.90 2.86 -1.01 0.11 114.93 119.55 3ix4 h MET 26 Ca 0.16 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3ix4 h MET 26 Cb 0.52 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3ix4 h MET 26 CO 0.03 0.29 0.23 0.00 1.06 0.00 0.00 176.91 178.51 3ix4 h ALA 27 N 1.21 0.66 -0.52 6.32 0.00 -1.09 -2.72 119.26 123.12 3ix4 h ALA 27 Ca 0.17 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ix4 h ALA 27 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ix4 h ALA 27 CO -0.11 0.25 0.26 1.03 0.00 0.00 0.00 179.25 180.68 3ix4 h SER 28 N 0.69 0.68 -0.18 0.00 0.87 -0.21 -0.51 113.55 114.88 3ix4 h SER 28 Ca 0.17 -0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.64 3ix4 h SER 28 Cb 0.16 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3ix4 h SER 28 CO -0.02 0.61 0.12 0.44 -0.53 0.00 0.00 176.83 177.45 3ix4 h ASP 29 N 0.70 0.11 0.18 6.23 3.32 -0.69 -0.77 116.42 125.50 3ix4 h ASP 29 Ca 0.18 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3ix4 h ASP 29 Cb 0.10 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3ix4 h ASP 29 CO -0.02 0.08 -0.07 0.18 -1.72 0.00 0.00 179.24 177.68 3ix4 n LEU 30 N -4.50 0.68 0.00 1.55 4.32 -0.87 -4.92 117.00 113.25 3ix4 n LEU 30 Ca 0.01 -0.15 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 3ix4 n LEU 30 Cb 0.17 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.88 3ix4 n LEU 30 CO 0.35 0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.24 3ix4 n GLY 31 N 1.20 1.03 3.26 -0.72 0.00 -0.29 -4.95 105.19 104.71 3ix4 n GLY 31 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 3.30 -0.85 1.61 0.40 -0.25 -4.50 117.98 115.69 3ix4 s PHE 32 Ca 0.00 -1.53 0.27 0.00 -0.60 0.00 0.00 56.93 55.07 3ix4 s PHE 32 Cb 0.00 -2.52 0.84 0.00 0.51 0.00 0.00 43.02 41.85 3ix4 s PHE 32 CO 0.00 -0.78 1.70 -1.13 0.70 0.00 0.00 175.22 175.71 3ix4 n SER 33 N 4.82 0.46 -3.92 1.36 3.41 -1.18 -2.83 113.62 115.73 3ix4 n SER 33 Ca -0.11 0.34 -0.21 0.00 -0.26 0.00 0.00 58.87 58.63 3ix4 n SER 33 Cb 0.44 -0.36 -0.16 0.00 -0.26 0.00 0.00 64.21 63.86 3ix4 n SER 33 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ix4 s LYS 34 N -3.06 1.04 0.02 4.33 -0.14 -1.23 -4.96 119.74 115.74 3ix4 s LYS 34 Ca 0.11 -0.17 -0.00 0.00 -1.36 0.00 0.00 55.97 54.55 3ix4 s LYS 34 Cb 0.16 -1.00 -0.02 0.00 -1.68 0.00 0.00 37.83 35.29 3ix4 s LYS 34 CO 0.61 -0.08 -0.02 -1.50 -0.76 0.00 0.00 175.35 173.60 3ix4 s ILE 35 N 0.95 0.09 -0.04 2.17 2.07 -1.26 -0.75 121.20 124.42 3ix4 s ILE 35 Ca -0.10 -0.73 -0.01 0.00 -1.41 0.00 0.00 60.65 58.40 3ix4 s ILE 35 Cb -0.14 -0.21 0.03 0.00 0.13 0.00 0.00 42.46 42.26 3ix4 s ILE 35 CO 0.00 -0.40 0.03 -0.22 -1.91 0.00 0.00 174.94 172.45 3ix4 s LEU 36 N -1.17 0.51 -0.25 8.50 0.20 -0.21 -2.01 118.68 124.26 3ix4 s LEU 36 Ca -0.13 0.02 -0.08 0.00 0.69 0.00 0.00 54.13 54.64 3ix4 s LEU 36 Cb -0.08 -0.21 -0.03 0.00 -0.43 0.00 0.00 46.19 45.44 3ix4 s LEU 36 CO -0.01 -0.20 0.08 0.12 -0.29 0.00 0.00 176.35 176.06 3ix4 s PHE 37 N 1.81 3.10 -0.03 5.38 5.36 0.42 -0.44 117.98 133.59 3ix4 s PHE 37 Ca 0.01 -0.38 0.05 0.00 -0.96 0.00 0.00 56.93 55.65 3ix4 s PHE 37 Cb -0.12 -2.25 -0.01 0.00 -0.34 0.00 0.00 43.02 40.29 3ix4 s PHE 37 CO -0.03 -0.34 -0.18 0.20 -1.46 0.00 0.00 175.22 173.41 3ix4 s GLY 38 N 1.63 0.92 -0.09 13.12 0.00 0.01 -0.34 107.32 122.57 3ix4 s GLY 38 Ca 0.06 -0.74 -0.06 0.00 0.00 0.00 0.00 44.72 43.98 3ix4 s GLY 38 CO 0.04 -0.48 0.22 -2.27 0.00 0.00 0.00 173.10 170.61 3ix4 s LEU 39 N -0.16 0.87 0.12 0.66 2.96 0.45 -1.06 118.68 122.52 3ix4 s LEU 39 Ca 0.01 0.45 0.10 0.00 -0.22 0.00 0.00 54.13 54.46 3ix4 s LEU 39 Cb -0.10 0.69 -0.04 0.00 0.50 0.00 0.00 46.19 47.25 3ix4 s LEU 39 CO 0.01 -0.11 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.93 3ix4 s LEU 40 N 0.62 2.33 0.84 -0.68 1.43 0.14 -0.96 118.68 122.41 3ix4 s LEU 40 Ca -0.04 -0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 52.20 3ix4 s LEU 40 Cb -0.06 -1.03 0.10 0.00 0.03 0.00 0.00 46.19 45.23 3ix4 s LEU 40 CO -0.03 0.10 1.10 -2.16 0.23 0.00 0.00 176.35 175.59 3ix4 s PRO 41 N -2.09 1.69 0.19 1.29 0.04 -1.26 -0.76 135.00 134.10 3ix4 s PRO 41 Ca 0.11 0.60 -0.32 0.00 0.04 0.00 0.00 61.00 61.44 3ix4 s PRO 41 Cb -0.10 -1.88 -0.15 0.00 0.04 0.00 0.00 34.50 32.41 3ix4 s PRO 41 CO 0.06 -1.88 1.10 1.17 0.04 0.00 0.00 177.00 177.48 3ix4 n LYS 42 N -3.61 1.13 -0.92 4.56 4.81 -1.23 -2.17 118.16 120.74 3ix4 n LYS 42 Ca 0.07 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 3ix4 n LYS 42 Cb 0.57 -1.85 0.00 0.00 0.02 0.00 0.00 35.03 33.76 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 1.86 -4.56 -4.79 3.14 10.43 -1.26 -4.99 116.55 116.38 3ix4 n ASP 43 Ca 0.14 0.00 -0.37 0.00 2.57 0.00 0.00 54.79 57.13 3ix4 n ASP 43 Cb 0.26 -2.91 -0.06 0.00 1.84 0.00 0.00 41.12 40.25 3ix4 n ASP 43 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3ix4 s SER 44 N -2.03 7.24 -0.11 -2.24 0.15 -0.92 -4.95 113.70 110.84 3ix4 s SER 44 Ca 0.00 1.68 0.16 0.00 0.70 0.00 0.00 55.95 58.49 3ix4 s SER 44 Cb 0.00 -2.52 0.25 0.00 -1.71 0.00 0.00 66.02 62.04 3ix4 s SER 44 CO 0.00 -0.02 1.13 0.00 1.20 0.00 0.00 173.24 175.55 3ix4 n GLN 45 N 0.65 1.07 -2.26 5.44 6.02 -1.26 -4.92 117.38 122.13 3ix4 n GLN 45 Ca 0.00 -2.36 -0.42 0.00 -0.01 0.00 0.00 57.00 54.22 3ix4 n GLN 45 Cb 0.50 -1.33 0.00 0.00 1.02 0.00 0.00 30.24 30.44 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 -1.17 6.03 0.09 1.08 2.03 -1.26 -4.77 116.55 118.58 3ix4 n ASP 46 Ca 0.13 -3.14 0.09 0.00 0.52 0.00 0.00 54.79 52.40 3ix4 n ASP 46 Cb 0.66 -1.43 0.57 0.00 -0.72 0.00 0.00 41.12 40.19 3ix4 n ASP 46 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 3ix4 h TYR 47 N 5.38 0.21 0.00 -0.67 -1.99 -2.00 -0.27 116.97 117.64 3ix4 h TYR 47 Ca 0.48 0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.21 3ix4 h TYR 47 Cb 0.53 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.19 3ix4 h TYR 47 CO 1.35 0.12 0.00 0.39 -0.00 0.00 0.00 178.16 180.02 3ix4 n GLU 48 N -4.49 0.02 -0.86 4.88 1.02 -1.26 -2.85 120.64 117.10 3ix4 n GLU 48 Ca 0.03 0.23 0.05 0.00 -0.02 0.00 0.00 57.16 57.45 3ix4 n GLU 48 Cb 0.21 -1.53 0.15 0.00 -0.02 0.00 0.00 31.44 30.25 3ix4 n GLU 48 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ix4 n ASN 49 N -1.57 1.51 -4.77 1.62 3.02 -0.12 -5.08 115.26 109.87 3ix4 n ASN 49 Ca 0.04 -3.36 -0.32 0.00 -0.03 0.00 0.00 54.58 50.91 3ix4 n ASN 49 Cb 0.20 -0.46 0.07 0.00 -0.61 0.00 0.00 39.78 38.98 3ix4 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ix4 s ALA 50 N -2.30 2.36 -0.23 5.41 0.00 -1.13 -4.98 121.76 120.88 3ix4 s ALA 50 Ca 0.37 0.36 -0.29 0.00 0.00 0.00 0.00 51.96 52.39 3ix4 s ALA 50 Cb 0.38 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 3ix4 s ALA 50 CO -0.10 -1.55 1.29 0.12 0.00 0.00 0.00 175.76 175.52 3ix4 s PHE 51 N -2.71 2.74 -0.08 0.00 5.36 -0.13 -4.88 117.98 118.28 3ix4 s PHE 51 Ca 0.63 0.93 0.04 0.00 -0.96 0.00 0.00 56.93 57.57 3ix4 s PHE 51 Cb -0.18 -3.71 -0.00 0.00 -0.34 0.00 0.00 43.02 38.79 3ix4 s PHE 51 CO 0.51 -1.76 -0.22 0.42 -1.46 0.00 0.00 175.22 172.71 3ix4 s ILE 52 N 3.97 1.85 0.00 3.12 -1.09 -1.26 -0.41 121.20 127.38 3ix4 s ILE 52 Ca 0.56 -0.92 0.05 0.00 -2.23 0.00 0.00 60.65 58.11 3ix4 s ILE 52 Cb -0.19 -1.60 -0.01 0.00 -1.58 0.00 0.00 42.46 39.07 3ix4 s ILE 52 CO 0.19 0.52 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.57 3ix4 s VAL 53 N 0.22 1.21 -5.00 2.92 1.01 0.53 -4.99 120.40 116.30 3ix4 s VAL 53 Ca -0.13 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.10 3ix4 s VAL 53 Cb -0.16 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.19 3ix4 s VAL 53 CO 0.06 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.04 3ix4 n GLY 54 N 2.49 0.73 0.41 4.51 0.00 -1.26 -0.44 105.19 111.63 3ix4 n GLY 54 Ca -0.15 -1.81 0.07 0.00 0.00 0.00 0.00 46.02 44.13 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 1.88 1.71 -4.70 1.61 0.23 -0.85 -5.01 115.26 110.12 3ix4 n ASN 55 Ca 0.00 -3.08 -0.41 0.00 -0.53 0.00 0.00 54.58 50.56 3ix4 n ASN 55 Cb 0.00 -0.41 0.01 0.00 -2.08 0.00 0.00 39.78 37.29 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 -0.97 2.16 -1.63 -2.53 0.53 -1.24 -4.78 117.16 108.71 3ix4 n TYR 56 Ca 0.14 0.51 -0.48 0.00 -1.02 0.00 0.00 57.90 57.04 3ix4 n TYR 56 Cb 0.71 -2.38 -0.05 0.00 -1.03 0.00 0.00 39.34 36.59 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 0.14 1.64 -0.31 -0.72 -0.02 -1.26 -4.82 135.00 129.65 3ix4 n PRO 57 Ca 0.06 0.59 0.08 0.00 -2.02 0.00 0.00 63.50 62.21 3ix4 n PRO 57 Cb 0.39 -2.26 0.23 0.00 -0.02 0.00 0.00 33.50 31.84 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 4.87 1.35 -0.20 3.55 0.00 -1.99 -1.84 119.26 125.00 3ix4 h ALA 58 Ca -0.46 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 3ix4 h ALA 58 Cb 1.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3ix4 h ALA 58 CO 0.81 -0.03 -0.19 0.00 0.00 0.00 0.00 179.25 179.83 3ix4 h ALA 59 N 1.56 1.32 -0.14 0.00 0.00 -1.99 -1.18 119.26 118.83 3ix4 h ALA 59 Ca 0.48 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3ix4 h ALA 59 Cb 0.65 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ix4 h ALA 59 CO -0.35 0.46 -0.05 2.35 0.00 0.00 0.00 179.25 181.66 3ix4 h TRP 60 N 0.31 0.31 -0.68 0.00 -0.00 -1.72 -1.26 115.95 112.92 3ix4 h TRP 60 Ca 0.06 -0.07 0.11 0.00 -0.00 0.00 0.00 58.89 58.99 3ix4 h TRP 60 Cb 0.51 -0.07 -0.08 0.00 -0.00 0.00 0.00 29.16 29.52 3ix4 h TRP 60 CO 0.01 0.58 0.26 0.00 -0.00 0.00 0.00 178.44 179.29 3ix4 h ARG 61 N -0.05 0.42 -0.59 2.65 3.08 -1.06 0.15 114.38 118.98 3ix4 h ARG 61 Ca 0.03 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 3ix4 h ARG 61 Cb 0.49 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3ix4 h ARG 61 CO 0.02 0.28 0.07 0.93 -1.07 0.00 0.00 179.97 180.19 3ix4 h GLU 62 N 0.43 0.99 -0.15 0.04 5.08 -1.17 -2.20 114.58 117.60 3ix4 h GLU 62 Ca 0.35 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3ix4 h GLU 62 Cb 0.48 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3ix4 h GLU 62 CO -0.35 0.95 0.02 1.25 -1.00 0.00 0.00 179.01 179.88 3ix4 h HIS 63 N 0.89 0.27 -0.66 4.33 2.76 -0.71 -0.57 115.15 121.45 3ix4 h HIS 63 Ca 0.18 -0.04 0.12 0.00 -2.20 0.00 0.00 60.37 58.42 3ix4 h HIS 63 Cb 0.46 -0.07 -0.08 0.00 1.55 0.00 0.00 27.41 29.26 3ix4 h HIS 63 CO 0.03 0.43 0.23 -0.92 -1.30 0.00 0.00 177.93 176.40 3ix4 h TYR 64 N 0.03 0.38 0.16 5.26 3.20 -0.60 0.30 116.97 125.70 3ix4 h TYR 64 Ca 0.05 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3ix4 h TYR 64 Cb 0.30 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3ix4 h TYR 64 CO 0.02 0.05 -0.08 -0.44 -1.64 0.00 0.00 178.16 176.07 3ix4 h ASP 65 N 0.38 -0.18 -0.93 -2.11 3.32 -1.27 -0.99 116.42 114.64 3ix4 h ASP 65 Ca 0.35 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3ix4 h ASP 65 Cb 0.50 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.05 3ix4 h ASP 65 CO -0.37 0.05 0.58 -0.09 -1.72 0.00 0.00 179.24 177.69 3ix4 h ARG 66 N -0.41 1.26 -0.00 3.56 2.43 -0.51 -1.88 114.38 118.82 3ix4 h ARG 66 Ca -0.02 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3ix4 h ARG 66 Cb 0.32 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3ix4 h ARG 66 CO 0.04 0.86 -0.01 0.00 -1.51 0.00 0.00 179.97 179.35 3ix4 n ALA 67 N -2.38 2.38 -3.62 2.80 0.00 1.00 -4.93 120.51 115.76 3ix4 n ALA 67 Ca 0.10 -0.11 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3ix4 n ALA 67 Cb 0.04 -1.46 0.07 0.00 0.00 0.00 0.00 19.45 18.10 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 1.48 -0.50 0.13 0.00 0.00 -0.71 -4.90 105.19 100.70 3ix4 n GLY 68 Ca 0.08 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.42 3ix4 n GLY 68 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ix4 n TYR 69 N -4.78 0.70 0.25 1.61 4.01 -0.42 -1.97 117.16 116.56 3ix4 n TYR 69 Ca -0.05 0.32 0.16 0.00 -0.16 0.00 0.00 57.90 58.17 3ix4 n TYR 69 Cb 0.58 -1.02 0.88 0.00 -0.31 0.00 0.00 39.34 39.47 3ix4 n TYR 69 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ix4 h ALA 70 N 2.13 1.66 -0.00 -0.72 0.00 -1.91 0.28 119.26 120.71 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 0.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ix4 h ALA 70 CO 0.00 -0.15 -0.07 0.54 0.00 0.00 0.00 179.25 179.57 3ix4 n ARG 71 N -3.81 0.21 0.00 0.00 1.74 -0.83 -4.32 116.66 109.65 3ix4 n ARG 71 Ca -0.01 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3ix4 n ARG 71 Cb 0.20 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 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 -1.37 0.00 -1.46 1.55 0.31 -0.12 -5.02 118.33 112.22 3ix4 n VAL 72 Ca 0.10 0.00 -0.57 0.00 -0.01 0.00 0.00 64.34 63.86 3ix4 n VAL 72 Cb 0.30 -0.41 -0.09 0.00 -0.91 0.00 0.00 33.84 32.73 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 -2.22 1.66 0.24 4.52 -0.08 0.82 -4.74 116.55 116.74 3ix4 n ASP 73 Ca 0.00 0.71 0.16 0.00 -1.51 0.00 0.00 54.79 54.15 3ix4 n ASP 73 Cb 0.38 -1.08 0.74 0.00 2.34 0.00 0.00 41.12 43.50 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 9.54 0.00 0.00 -0.67 0.13 -1.90 -2.20 132.00 136.90 3ix4 h PRO 74 Ca -0.27 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.73 3ix4 h PRO 74 Cb 1.36 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 3ix4 h PRO 74 CO 1.03 0.00 -0.64 1.79 -0.23 0.00 0.00 178.00 179.95 3ix4 h THR 75 N 0.00 1.44 0.31 1.56 1.35 -1.92 -2.70 112.91 112.94 3ix4 h THR 75 Ca 0.00 -2.20 -0.02 0.00 -0.55 0.00 0.00 66.41 63.64 3ix4 h THR 75 Cb 0.31 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3ix4 h THR 75 CO 0.00 0.63 -0.15 0.58 -0.25 0.00 0.00 175.52 176.33 3ix4 h VAL 76 N 0.00 0.72 -0.92 6.82 2.07 -1.71 -0.84 116.25 122.38 3ix4 h VAL 76 Ca -0.01 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.16 3ix4 h VAL 76 Cb 1.14 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 3ix4 h VAL 76 CO 0.08 0.08 0.59 0.77 0.02 0.00 0.00 177.57 179.12 3ix4 h SER 77 N -0.64 0.98 -0.66 0.57 4.64 -1.64 -2.17 113.55 114.63 3ix4 h SER 77 Ca -0.04 -0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.33 3ix4 h SER 77 Cb 0.45 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.27 3ix4 h SER 77 CO 0.07 0.66 0.36 -0.74 -0.87 0.00 0.00 176.83 176.32 3ix4 h HIS 78 N 1.14 0.67 -0.17 4.77 6.17 -1.31 -2.22 115.15 124.21 3ix4 h HIS 78 Ca 0.37 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.46 3ix4 h HIS 78 Cb 0.04 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 29.75 3ix4 h HIS 78 CO -0.01 0.32 0.04 0.00 0.71 0.00 0.00 177.93 178.99 3ix4 h THR 80 N 0.23 0.00 0.00 0.00 1.35 -1.15 -3.28 112.91 110.06 3ix4 h THR 80 Ca 0.06 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3ix4 h THR 80 Cb 0.09 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 3ix4 h THR 80 CO -0.00 0.00 -0.53 0.00 -0.25 0.00 0.00 175.52 174.74 3ix4 n GLN 81 N -2.48 3.67 -3.90 4.72 6.02 -0.61 -5.08 117.38 119.73 3ix4 n GLN 81 Ca 0.01 -0.01 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 3ix4 n GLN 81 Cb 0.22 -0.80 -0.09 0.00 1.02 0.00 0.00 30.24 30.60 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 -1.66 0.15 0.00 1.08 0.15 -0.56 -5.02 113.70 107.85 3ix4 s SER 82 Ca 0.00 -0.54 0.21 0.00 0.70 0.00 0.00 55.95 56.32 3ix4 s SER 82 Cb 0.02 0.26 0.20 0.00 -1.71 0.00 0.00 66.02 64.79 3ix4 s SER 82 CO 0.10 -0.57 1.19 1.33 1.20 0.00 0.00 173.24 176.49 3ix4 n VAL 83 N 0.56 0.09 -3.70 4.45 0.24 -1.26 -4.64 118.33 114.07 3ix4 n VAL 83 Ca -0.18 -0.54 -0.33 0.00 -2.04 0.00 0.00 64.34 61.25 3ix4 n VAL 83 Cb 0.59 1.35 -0.05 0.00 -1.47 0.00 0.00 33.84 34.26 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 -1.67 4.32 0.58 1.34 1.43 -1.26 -4.58 118.68 118.84 3ix4 s LEU 84 Ca 0.26 0.60 -0.21 0.00 -1.03 0.00 0.00 54.13 53.76 3ix4 s LEU 84 Cb 0.18 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 3ix4 s LEU 84 CO 0.26 0.15 1.35 -2.16 0.23 0.00 0.00 176.35 176.18 3ix4 s PRO 85 N -2.20 2.96 -0.20 1.29 0.04 -1.26 -4.44 135.00 131.20 3ix4 s PRO 85 Ca 0.35 2.21 -0.01 0.00 0.04 0.00 0.00 61.00 63.58 3ix4 s PRO 85 Cb -0.13 -2.14 0.01 0.00 0.04 0.00 0.00 34.50 32.27 3ix4 s PRO 85 CO 0.21 -1.32 -0.12 -1.50 0.04 0.00 0.00 177.00 174.30 3ix4 s ILE 86 N -1.32 2.72 0.24 0.56 2.07 -0.30 -4.97 121.20 120.20 3ix4 s ILE 86 Ca 0.75 -0.72 -0.23 0.00 -1.41 0.00 0.00 60.65 59.04 3ix4 s ILE 86 Cb -0.40 -2.20 -0.09 0.00 0.13 0.00 0.00 42.46 39.90 3ix4 s ILE 86 CO 0.46 0.48 0.81 -0.36 -1.91 0.00 0.00 174.94 174.42 3ix4 s PHE 87 N 1.36 3.74 -1.06 3.50 0.40 -1.26 -1.08 117.98 123.58 3ix4 s PHE 87 Ca 0.05 1.59 -0.22 0.00 -0.60 0.00 0.00 56.93 57.74 3ix4 s PHE 87 Cb -0.14 -2.76 0.04 0.00 0.51 0.00 0.00 43.02 40.67 3ix4 s PHE 87 CO -0.08 0.35 1.57 -1.58 0.70 0.00 0.00 175.22 176.18 3ix4 s TRP 88 N -1.45 2.46 0.15 0.36 0.51 -0.05 -4.88 118.94 116.04 3ix4 s TRP 88 Ca 0.43 -0.74 0.08 0.00 -2.12 0.00 0.00 56.10 53.75 3ix4 s TRP 88 Cb -0.19 -4.61 -0.04 0.00 -0.81 0.00 0.00 33.47 27.82 3ix4 s TRP 88 CO 0.23 -1.87 -0.10 -1.21 -0.51 0.00 0.00 176.95 173.49 3ix4 s GLU 89 N 5.16 2.06 0.48 4.98 0.41 -1.26 -4.59 118.70 125.94 3ix4 s GLU 89 Ca 0.51 -1.18 0.28 0.00 -0.41 0.00 0.00 54.97 54.17 3ix4 s GLU 89 Cb -0.00 -2.21 1.35 0.00 -1.78 0.00 0.00 34.13 31.49 3ix4 s GLU 89 CO -0.05 0.46 1.80 -1.35 -0.49 0.00 0.00 175.26 175.63 3ix4 h PRO 90 N 3.21 0.16 0.00 0.39 0.11 -1.95 -1.38 132.00 132.54 3ix4 h PRO 90 Ca -0.48 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3ix4 h PRO 90 Cb 1.19 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ix4 h PRO 90 CO 0.53 0.11 -0.08 0.66 -0.21 0.00 0.00 178.00 179.00 3ix4 h SER 91 N 0.17 0.00 1.52 -2.05 4.64 -1.96 -2.42 113.55 113.45 3ix4 h SER 91 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 3ix4 h SER 91 Cb 1.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.95 3ix4 h SER 91 CO -0.13 0.08 0.00 0.16 -0.87 0.00 0.00 176.83 176.07 3ix4 h ILE 92 N 0.00 0.00 -3.16 0.95 3.07 -1.58 -3.40 117.51 113.38 3ix4 h ILE 92 Ca -0.00 -0.57 -0.72 0.00 1.55 0.00 0.00 64.86 65.12 3ix4 h ILE 92 Cb 0.30 1.55 -0.21 0.00 -0.27 0.00 0.00 36.82 38.19 3ix4 h ILE 92 CO 0.01 0.00 -0.11 -0.31 -1.05 0.00 0.00 178.15 176.69 3ix4 s TYR 93 N -3.16 3.14 -0.11 0.16 1.51 -0.91 -4.73 117.35 113.25 3ix4 s TYR 93 Ca 0.09 -0.89 -0.01 0.00 -1.01 0.00 0.00 57.07 55.25 3ix4 s TYR 93 Cb 0.10 -3.57 -0.06 0.00 -0.11 0.00 0.00 41.96 38.32 3ix4 s TYR 93 CO 0.60 -1.01 -0.11 1.04 -1.11 0.00 0.00 175.55 174.95 3ix4 n GLN 94 N 5.73 0.26 -2.32 -0.62 6.02 -1.26 -4.77 117.38 120.42 3ix4 n GLN 94 Ca -0.10 0.07 -0.27 0.00 -0.01 0.00 0.00 57.00 56.69 3ix4 n GLN 94 Cb 0.43 -1.12 0.04 0.00 1.02 0.00 0.00 30.24 30.61 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 -2.21 3.54 0.29 5.09 -4.23 -1.26 -4.92 115.64 111.94 3ix4 s THR 95 Ca -0.15 0.05 -0.02 0.00 -1.18 0.00 0.00 61.69 60.39 3ix4 s THR 95 Cb 0.04 -3.43 0.21 0.00 1.34 0.00 0.00 72.50 70.67 3ix4 s THR 95 CO 0.23 -0.46 1.89 -0.09 -0.54 0.00 0.00 174.62 175.66 3ix4 h ARG 96 N -0.27 0.98 -0.10 3.99 2.43 -1.99 -0.55 114.38 118.87 3ix4 h ARG 96 Ca -0.45 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 58.46 3ix4 h ARG 96 Cb 1.26 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 3ix4 h ARG 96 CO 0.61 0.75 -0.52 0.87 -1.51 0.00 0.00 179.97 180.17 3ix4 h LYS 97 N 0.98 0.28 -0.15 0.20 1.57 -1.99 -2.14 116.57 115.33 3ix4 h LYS 97 Ca 0.24 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 3ix4 h LYS 97 Cb 0.08 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3ix4 h LYS 97 CO -0.03 0.74 -0.49 1.96 -0.57 0.00 0.00 179.45 181.05 3ix4 h GLN 98 N 0.22 0.40 -0.67 3.15 4.20 -1.72 -0.83 115.11 119.86 3ix4 h GLN 98 Ca 0.01 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.42 3ix4 h GLN 98 Cb 0.99 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 3ix4 h GLN 98 CO 0.08 0.80 0.15 0.45 -0.67 0.00 0.00 178.83 179.64 3ix4 h HIS 99 N 0.32 1.12 -0.41 2.96 3.86 -0.96 -1.04 115.15 120.99 3ix4 h HIS 99 Ca 0.02 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 3ix4 h HIS 99 Cb 0.98 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 29.11 3ix4 h HIS 99 CO 0.03 0.92 0.22 1.49 0.86 0.00 0.00 177.93 181.45 3ix4 h GLU 100 N 1.01 0.58 -0.40 2.45 4.81 -1.18 -2.38 114.58 119.47 3ix4 h GLU 100 Ca 0.21 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.42 3ix4 h GLU 100 Cb 0.38 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 3ix4 h GLU 100 CO 0.00 0.47 0.13 0.35 -0.73 0.00 0.00 179.01 179.23 3ix4 h PHE 101 N 0.53 0.22 -0.59 0.92 3.57 -0.87 -1.64 116.94 119.09 3ix4 h PHE 101 Ca 0.14 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.72 3ix4 h PHE 101 Cb 0.07 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 3ix4 h PHE 101 CO -0.02 0.08 0.30 0.35 -2.23 0.00 0.00 178.31 176.79 3ix4 h PHE 102 N 0.28 0.55 -0.46 0.41 3.57 -1.04 -0.56 116.94 119.69 3ix4 h PHE 102 Ca 0.19 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.74 3ix4 h PHE 102 Cb 0.19 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3ix4 h PHE 102 CO -0.16 0.26 0.26 0.93 -2.23 0.00 0.00 178.31 177.37 3ix4 h GLU 103 N 0.57 0.50 -0.33 1.11 5.08 -0.96 -0.02 114.58 120.53 3ix4 h GLU 103 Ca 0.26 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 3ix4 h GLU 103 Cb 0.18 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3ix4 h GLU 103 CO -0.18 0.33 -0.13 0.93 -1.00 0.00 0.00 179.01 178.96 3ix4 h GLU 104 N 0.52 0.67 -0.71 2.33 4.39 -0.94 -2.39 114.58 118.44 3ix4 h GLU 104 Ca 0.19 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 3ix4 h GLU 104 Cb 0.05 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3ix4 h GLU 104 CO -0.11 0.87 0.26 0.00 -1.16 0.00 0.00 179.01 178.87 3ix4 h ALA 105 N 0.79 0.93 -1.00 3.43 0.00 -1.02 -2.42 119.26 119.96 3ix4 h ALA 105 Ca 0.08 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.86 3ix4 h ALA 105 Cb 0.65 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3ix4 h ALA 105 CO 0.04 0.57 0.64 0.77 0.00 0.00 0.00 179.25 181.28 3ix4 h SER 106 N 1.03 1.02 0.07 0.00 0.02 -0.88 -0.87 113.55 113.94 3ix4 h SER 106 Ca 0.23 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 3ix4 h SER 106 Cb 0.25 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 3ix4 h SER 106 CO -0.01 0.64 -0.07 0.00 -1.14 0.00 0.00 176.83 176.24 3ix4 h ALA 107 N 1.47 1.87 -0.00 3.77 0.00 -0.93 -0.06 119.26 125.38 3ix4 h ALA 107 Ca 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3ix4 h ALA 107 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ix4 h ALA 107 CO -0.18 0.10 -0.00 0.00 0.00 0.00 0.00 179.25 179.16 3ix4 n ALA 108 N -2.53 2.64 -0.47 0.00 0.00 -0.43 -4.87 120.51 114.85 3ix4 n ALA 108 Ca -0.03 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3ix4 n ALA 108 Cb 0.15 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 1.09 0.76 3.31 0.00 0.00 -0.04 -4.86 105.19 105.45 3ix4 n GLY 109 Ca 0.21 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.78 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 6.44 -0.11 0.99 1.43 -0.63 -4.77 118.68 122.03 3ix4 s LEU 110 Ca 0.00 -3.15 -0.04 0.00 -1.03 0.00 0.00 54.13 49.91 3ix4 s LEU 110 Cb 0.00 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 3ix4 s LEU 110 CO 0.00 -0.42 -0.13 0.55 0.23 0.00 0.00 176.35 176.58 3ix4 n VAL 111 N 3.31 0.59 -4.50 -1.59 3.14 -1.26 -3.41 118.33 114.61 3ix4 n VAL 111 Ca 0.18 -0.17 -0.34 0.00 -2.96 0.00 0.00 64.34 61.06 3ix4 n VAL 111 Cb 0.43 -1.48 -0.10 0.00 -1.06 0.00 0.00 33.84 31.62 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 -2.20 2.98 -4.77 1.45 1.51 -1.26 -4.91 117.35 110.16 3ix4 s TYR 112 Ca -0.15 0.05 0.00 0.00 -1.01 0.00 0.00 57.07 55.96 3ix4 s TYR 112 Cb 0.05 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.21 3ix4 s TYR 112 CO 0.20 0.38 0.00 0.41 -1.11 0.00 0.00 175.55 175.43 3ix4 n GLY 113 N 1.96 -0.78 3.33 0.71 0.00 -1.26 -1.35 105.19 107.81 3ix4 n GLY 113 Ca -0.17 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 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 0.31 -0.13 0.99 2.34 -0.59 -0.88 118.68 120.72 3ix4 s LEU 114 Ca 0.00 -0.04 0.02 0.00 0.06 0.00 0.00 54.13 54.17 3ix4 s LEU 114 Cb 0.00 1.83 0.01 0.00 -0.56 0.00 0.00 46.19 47.48 3ix4 s LEU 114 CO 0.00 -0.72 -0.19 -0.89 -1.06 0.00 0.00 176.35 173.50 3ix4 s THR 115 N -2.77 1.81 -0.36 5.48 2.01 -0.24 -1.26 115.64 120.31 3ix4 s THR 115 Ca -0.03 -0.82 -0.14 0.00 0.31 0.00 0.00 61.69 61.00 3ix4 s THR 115 Cb -0.00 -1.63 -0.00 0.00 0.01 0.00 0.00 72.50 70.88 3ix4 s THR 115 CO -0.04 0.50 0.29 -0.04 -0.69 0.00 0.00 174.62 174.64 3ix4 s MET 116 N 0.99 3.34 0.52 4.92 -1.94 0.47 -1.15 119.30 126.46 3ix4 s MET 116 Ca -0.04 -0.71 -0.23 0.00 -1.71 0.00 0.00 55.69 53.00 3ix4 s MET 116 Cb -0.15 -3.86 -0.06 0.00 2.01 0.00 0.00 34.83 32.77 3ix4 s MET 116 CO -0.04 -0.57 1.36 -2.14 -0.01 0.00 0.00 175.02 173.63 3ix4 s PRO 117 N 1.79 3.30 -0.14 2.03 0.02 -1.26 -1.03 135.00 139.70 3ix4 s PRO 117 Ca 0.07 2.26 0.01 0.00 0.02 0.00 0.00 61.00 63.36 3ix4 s PRO 117 Cb -0.18 -2.36 -0.00 0.00 0.02 0.00 0.00 34.50 31.98 3ix4 s PRO 117 CO 0.11 -1.07 -0.18 -0.51 -0.33 0.00 0.00 177.00 175.02 3ix4 s LEU 118 N -3.31 2.38 -0.26 -5.54 1.43 0.25 -4.84 118.68 108.79 3ix4 s LEU 118 Ca 0.69 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 53.28 3ix4 s LEU 118 Cb -0.41 -1.52 0.08 0.00 0.03 0.00 0.00 46.19 44.37 3ix4 s LEU 118 CO 0.49 0.11 0.06 -1.00 0.23 0.00 0.00 176.35 176.24 3ix4 s HIS 119 N 0.68 1.47 0.65 0.29 3.76 -1.26 -0.99 115.29 119.90 3ix4 s HIS 119 Ca -0.08 -1.40 -0.09 0.00 -0.15 0.00 0.00 55.06 53.34 3ix4 s HIS 119 Cb -0.16 -1.43 0.01 0.00 1.11 0.00 0.00 32.58 32.11 3ix4 s HIS 119 CO 0.02 -0.78 1.00 0.20 -0.85 0.00 0.00 174.74 174.33 3ix4 s GLY 120 N 1.70 1.62 0.52 -2.22 0.00 0.20 -4.92 107.32 104.21 3ix4 s GLY 120 Ca 0.05 -0.52 0.22 0.00 0.00 0.00 0.00 44.72 44.47 3ix4 s GLY 120 CO -0.18 -0.19 2.11 0.00 0.00 0.00 0.00 173.10 174.84 3ix4 h ALA 121 N -0.42 1.61 -0.51 3.20 0.00 -1.97 -1.52 119.26 119.64 3ix4 h ALA 121 Ca -0.45 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 3ix4 h ALA 121 Cb 1.26 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3ix4 h ALA 121 CO 0.62 0.10 0.05 0.54 0.00 0.00 0.00 179.25 180.56 3ix4 n ARG 122 N -4.07 4.07 -0.65 0.00 5.12 -1.26 -4.92 116.66 114.94 3ix4 n ARG 122 Ca -0.03 -3.07 0.00 0.00 -1.93 0.00 0.00 57.85 52.82 3ix4 n ARG 122 Cb 0.17 -2.13 0.00 0.00 -1.16 0.00 0.00 32.46 29.34 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 0.11 0.68 3.75 -0.13 0.00 -0.57 -4.55 105.19 104.48 3ix4 n GLY 123 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 3ix4 n GLY 123 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ix4 n GLU 124 N -2.63 2.49 -4.92 1.61 4.71 -1.25 -3.50 120.64 117.13 3ix4 n GLU 124 Ca 0.00 0.87 -0.31 0.00 -0.01 0.00 0.00 57.16 57.71 3ix4 n GLU 124 Cb 0.00 -2.55 -0.17 0.00 -1.01 0.00 0.00 31.44 27.71 3ix4 n GLU 124 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3ix4 s LEU 125 N -1.64 2.00 0.00 -4.62 2.96 0.06 -0.63 118.68 116.82 3ix4 s LEU 125 Ca 0.54 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3ix4 s LEU 125 Cb -0.51 -1.32 0.00 0.00 0.50 0.00 0.00 46.19 44.86 3ix4 s LEU 125 CO 0.63 0.11 0.00 0.61 -1.32 0.00 0.00 176.35 176.38 3ix4 n GLY 126 N 3.77 2.14 3.38 7.98 0.00 -0.16 0.27 105.19 122.57 3ix4 n GLY 126 Ca -0.20 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.04 -1.21 -0.32 4.61 0.00 -0.23 -0.58 121.76 122.99 3ix4 s ALA 127 Ca 0.00 1.30 -0.04 0.00 0.00 0.00 0.00 51.96 53.22 3ix4 s ALA 127 Cb 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 23.12 22.47 3ix4 s ALA 127 CO 0.00 -0.24 0.05 -1.17 0.00 0.00 0.00 175.76 174.40 3ix4 s LEU 128 N 0.06 4.11 -0.12 0.00 2.96 -0.20 -0.81 118.68 124.68 3ix4 s LEU 128 Ca -0.02 -1.24 -0.04 0.00 -0.22 0.00 0.00 54.13 52.61 3ix4 s LEU 128 Cb -0.03 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 3ix4 s LEU 128 CO 0.01 -0.30 0.02 -0.44 -1.32 0.00 0.00 176.35 174.33 3ix4 s SER 129 N 1.34 5.33 -0.03 3.68 0.01 0.42 -0.39 113.70 124.05 3ix4 s SER 129 Ca -0.03 0.10 0.01 0.00 1.31 0.00 0.00 55.95 57.34 3ix4 s SER 129 Cb -0.20 -1.69 0.01 0.00 0.21 0.00 0.00 66.02 64.36 3ix4 s SER 129 CO 0.00 0.30 -0.05 -0.76 0.41 0.00 0.00 173.24 173.14 3ix4 s LEU 130 N -0.38 1.53 -0.07 2.44 1.02 -0.39 -1.05 118.68 121.79 3ix4 s LEU 130 Ca 0.08 -0.13 0.02 0.00 0.02 0.00 0.00 54.13 54.12 3ix4 s LEU 130 Cb -0.12 -0.42 -0.03 0.00 0.02 0.00 0.00 46.19 45.64 3ix4 s LEU 130 CO 0.02 -0.01 -0.11 -0.55 0.02 0.00 0.00 176.35 175.71 3ix4 s SER 131 N 0.59 4.24 -0.12 2.29 0.15 0.07 -1.55 113.70 119.37 3ix4 s SER 131 Ca -0.08 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.42 3ix4 s SER 131 Cb -0.11 -1.09 -0.02 0.00 -1.71 0.00 0.00 66.02 63.09 3ix4 s SER 131 CO 0.00 0.32 -0.13 0.54 1.20 0.00 0.00 173.24 175.17 3ix4 s VAL 132 N -0.56 3.07 -0.08 4.45 0.11 -0.45 -3.13 120.40 123.81 3ix4 s VAL 132 Ca 0.08 -0.66 -0.30 0.00 -2.93 0.00 0.00 61.98 58.17 3ix4 s VAL 132 Cb -0.12 -2.28 -0.02 0.00 -1.53 0.00 0.00 36.38 32.43 3ix4 s VAL 132 CO 0.02 0.53 1.15 -1.61 -3.33 0.00 0.00 175.10 171.86 3ix4 s GLU 133 N 0.20 4.36 0.18 1.54 2.02 -1.26 -4.30 118.70 121.44 3ix4 s GLU 133 Ca -0.08 1.59 -0.13 0.00 0.02 0.00 0.00 54.97 56.37 3ix4 s GLU 133 Cb -0.15 -3.57 0.01 0.00 0.10 0.00 0.00 34.13 30.52 3ix4 s GLU 133 CO 0.05 -0.44 0.41 0.00 0.02 0.00 0.00 175.26 175.30 3ix4 s ALA 134 N 2.30 -0.50 -0.02 5.21 0.00 -1.26 -4.96 121.76 122.53 3ix4 s ALA 134 Ca 0.54 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 52.03 3ix4 s ALA 134 Cb -0.23 0.85 -0.24 0.00 0.00 0.00 0.00 23.12 23.50 3ix4 s ALA 134 CO 0.20 -0.73 0.75 0.93 0.00 0.00 0.00 175.76 176.91 3ix4 h GLU 135 N 2.36 0.07 -3.99 0.00 4.39 -1.96 -3.49 114.58 111.97 3ix4 h GLU 135 Ca -0.30 -0.12 -0.12 0.00 0.34 0.00 0.00 59.36 59.16 3ix4 h GLU 135 Cb 1.25 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 29.82 3ix4 h GLU 135 CO 0.43 0.75 -0.31 0.54 -1.16 0.00 0.00 179.01 179.25 3ix4 s ASN 136 N -6.43 0.01 0.25 1.42 2.20 -1.26 -5.07 114.94 106.06 3ix4 s ASN 136 Ca -0.07 -1.06 -0.02 0.00 -0.94 0.00 0.00 52.86 50.77 3ix4 s ASN 136 Cb 0.08 0.50 0.30 0.00 -2.00 0.00 0.00 41.25 40.13 3ix4 s ASN 136 CO 0.82 -1.00 1.73 -0.09 -2.94 0.00 0.00 177.10 175.62 3ix4 h ARG 137 N 2.42 0.78 -0.24 3.55 2.43 -1.99 -1.82 114.38 119.51 3ix4 h ARG 137 Ca -0.30 -0.23 -0.17 0.00 -0.81 0.00 0.00 59.98 58.46 3ix4 h ARG 137 Cb 1.25 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3ix4 h ARG 137 CO 0.43 0.82 -0.55 0.00 -1.51 0.00 0.00 179.97 179.16 3ix4 h ALA 138 N 1.22 0.58 -0.21 2.80 0.00 -1.99 -1.53 119.26 120.14 3ix4 h ALA 138 Ca 0.13 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3ix4 h ALA 138 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ix4 h ALA 138 CO 0.03 0.69 0.10 1.49 0.00 0.00 0.00 179.25 181.55 3ix4 h GLU 139 N 0.55 0.30 -0.31 0.00 4.81 -1.95 -1.72 114.58 116.26 3ix4 h GLU 139 Ca 0.01 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3ix4 h GLU 139 Cb 1.13 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.41 3ix4 h GLU 139 CO 0.11 0.32 0.02 0.00 -0.73 0.00 0.00 179.01 178.74 3ix4 h ALA 140 N 0.96 0.30 -0.78 2.92 0.00 -1.26 -1.67 119.26 119.73 3ix4 h ALA 140 Ca 0.07 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3ix4 h ALA 140 Cb 0.12 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3ix4 h ALA 140 CO -0.01 -0.39 0.39 -0.91 0.00 0.00 0.00 179.25 178.33 3ix4 h ASN 141 N 0.12 0.99 -0.47 0.00 2.35 -1.17 -1.07 115.58 116.33 3ix4 h ASN 141 Ca 0.15 -0.10 0.04 0.00 -0.55 0.00 0.00 56.30 55.83 3ix4 h ASN 141 Cb 0.18 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 3ix4 h ASN 141 CO -0.23 0.83 0.24 -0.09 -1.65 0.00 0.00 177.43 176.53 3ix4 h ARG 142 N 1.10 0.46 -0.41 0.81 2.43 -0.97 -0.60 114.38 117.19 3ix4 h ARG 142 Ca 0.27 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 3ix4 h ARG 142 Cb 0.09 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3ix4 h ARG 142 CO -0.04 0.30 -0.08 0.74 -1.51 0.00 0.00 179.97 179.39 3ix4 h PHE 143 N 0.47 0.77 0.19 2.20 0.05 -0.44 -3.20 116.94 116.98 3ix4 h PHE 143 Ca 0.20 -0.12 -0.25 0.00 3.82 0.00 0.00 57.97 61.62 3ix4 h PHE 143 Cb 0.11 -0.20 0.03 0.00 2.00 0.00 0.00 35.95 37.88 3ix4 h PHE 143 CO -0.10 0.77 -1.13 0.52 -0.18 0.00 0.00 178.31 178.19 3ix4 h MET 144 N 0.65 0.40 -0.50 1.51 2.86 -1.04 -3.33 114.93 115.49 3ix4 h MET 144 Ca 0.12 -0.68 0.04 0.00 -2.06 0.00 0.00 59.70 57.12 3ix4 h MET 144 Cb 0.52 0.25 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 3ix4 h MET 144 CO 0.03 1.32 0.33 0.93 1.06 0.00 0.00 176.91 180.59 3ix4 h GLU 145 N -0.15 0.53 0.00 1.72 5.08 -1.19 -2.09 114.58 118.48 3ix4 h GLU 145 Ca -0.20 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 3ix4 h GLU 145 Cb 1.87 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.99 3ix4 h GLU 145 CO 0.20 0.35 -0.16 0.66 -1.00 0.00 0.00 179.01 179.06 3ix4 h SER 146 N 0.55 0.00 -0.07 1.42 4.64 -1.65 -3.17 113.55 115.26 3ix4 h SER 146 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3ix4 h SER 146 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3ix4 h SER 146 CO -0.05 0.16 0.00 1.33 -0.87 0.00 0.00 176.83 177.39 3ix4 n VAL 147 N -4.34 0.35 -0.11 0.95 0.24 -0.88 -4.80 118.33 109.73 3ix4 n VAL 147 Ca -0.03 -0.67 -0.05 0.00 -2.04 0.00 0.00 64.34 61.55 3ix4 n VAL 147 Cb 0.22 0.91 0.02 0.00 -1.47 0.00 0.00 33.84 33.52 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 1.11 -0.18 -1.01 1.34 5.85 -1.37 0.17 115.31 121.22 3ix4 h LEU 148 Ca 0.00 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.85 3ix4 h LEU 148 Cb 0.37 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 3ix4 h LEU 148 CO 0.00 -0.05 0.66 -0.65 -0.34 0.00 0.00 178.44 178.06 3ix4 h PRO 149 N 0.09 1.22 -0.34 5.25 0.11 -1.87 0.11 132.00 136.57 3ix4 h PRO 149 Ca 0.18 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 3ix4 h PRO 149 Cb 0.26 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 3ix4 h PRO 149 CO -0.32 0.81 0.19 1.15 -0.21 0.00 0.00 178.00 179.62 3ix4 h THR 150 N 1.26 1.14 -0.57 -1.15 2.02 -1.70 -2.29 112.91 111.61 3ix4 h THR 150 Ca 0.41 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 3ix4 h THR 150 Cb 0.03 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3ix4 h THR 150 CO -0.13 0.14 0.25 -0.07 0.37 0.00 0.00 175.52 176.08 3ix4 h LEU 151 N 0.43 0.74 -0.81 2.58 3.38 -0.20 0.01 115.31 121.45 3ix4 h LEU 151 Ca 0.12 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3ix4 h LEU 151 Cb 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3ix4 h LEU 151 CO -0.02 0.65 -0.10 -0.25 0.09 0.00 0.00 178.44 178.81 3ix4 h TRP 152 N 0.81 0.87 -0.08 1.13 2.91 -0.56 0.16 115.95 121.19 3ix4 h TRP 152 Ca 0.20 -0.16 -0.03 0.00 1.13 0.00 0.00 58.89 60.03 3ix4 h TRP 152 Cb 0.12 -0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 28.55 3ix4 h TRP 152 CO 0.01 0.85 -0.05 0.52 -1.03 0.00 0.00 178.44 178.74 3ix4 h MET 153 N 0.72 0.18 -0.70 2.65 2.86 -1.04 -3.31 114.93 116.29 3ix4 h MET 153 Ca 0.12 -0.09 0.11 0.00 -2.06 0.00 0.00 59.70 57.78 3ix4 h MET 153 Cb 0.58 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.16 3ix4 h MET 153 CO 0.04 0.57 0.31 1.25 1.06 0.00 0.00 176.91 180.14 3ix4 h LEU 154 N -0.21 0.35 -1.41 1.22 5.85 -0.53 -2.12 115.31 118.46 3ix4 h LEU 154 Ca 0.02 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3ix4 h LEU 154 Cb 0.53 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3ix4 h LEU 154 CO 0.01 0.19 0.26 0.07 -0.34 0.00 0.00 178.44 178.63 3ix4 h LYS 155 N 0.51 0.66 -0.08 1.25 5.09 -1.06 0.28 116.57 123.22 3ix4 h LYS 155 Ca 0.36 -0.06 -0.18 0.00 0.09 0.00 0.00 60.65 60.86 3ix4 h LYS 155 Cb 0.45 -0.14 0.01 0.00 0.10 0.00 0.00 32.23 32.65 3ix4 h LYS 155 CO -0.32 0.49 -0.65 -0.44 -2.09 0.00 0.00 179.45 176.44 3ix4 h ASP 156 N 0.67 0.72 -0.71 7.07 3.32 -1.50 -0.96 116.42 125.02 3ix4 h ASP 156 Ca 0.17 -0.67 0.01 0.00 0.02 0.00 0.00 57.03 56.56 3ix4 h ASP 156 Cb 0.02 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 3ix4 h ASP 156 CO -0.03 1.28 0.47 1.88 -1.72 0.00 0.00 179.24 181.12 3ix4 h TYR 157 N 0.21 0.89 -0.66 4.55 -1.99 -1.01 -0.84 116.97 118.12 3ix4 h TYR 157 Ca -0.06 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.65 3ix4 h TYR 157 Cb 1.31 -0.30 -0.03 0.00 2.00 0.00 0.00 36.73 39.71 3ix4 h TYR 157 CO 0.11 0.57 0.25 0.00 -0.00 0.00 0.00 178.16 179.08 3ix4 h ALA 158 N 1.26 0.86 -0.23 3.88 0.00 -0.46 -2.30 119.26 122.27 3ix4 h ALA 158 Ca 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ix4 h ALA 158 Cb -0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3ix4 h ALA 158 CO -0.06 0.50 0.12 1.25 0.00 0.00 0.00 179.25 181.07 3ix4 h LEU 159 N 0.95 0.29 -0.30 0.00 5.85 -0.92 0.34 115.31 121.52 3ix4 h LEU 159 Ca 0.22 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3ix4 h LEU 159 Cb 0.24 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3ix4 h LEU 159 CO -0.01 0.31 0.05 -0.61 -0.34 0.00 0.00 178.44 177.84 3ix4 h GLN 160 N 0.26 0.50 -0.18 1.25 5.75 -1.07 -0.54 115.11 121.08 3ix4 h GLN 160 Ca 0.08 -0.14 -0.20 0.00 -0.15 0.00 0.00 58.65 58.25 3ix4 h GLN 160 Cb 0.09 -0.06 0.01 0.00 1.07 0.00 0.00 27.48 28.58 3ix4 h GLN 160 CO -0.01 0.60 -0.67 1.03 -2.65 0.00 0.00 178.83 177.13 3ix4 h SER 161 N 0.33 0.90 -0.41 -0.69 0.87 -1.42 -3.27 113.55 109.85 3ix4 h SER 161 Ca 0.09 -0.61 -0.07 0.00 -1.23 0.00 0.00 61.79 59.98 3ix4 h SER 161 Cb 0.34 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3ix4 h SER 161 CO 0.01 1.35 0.02 1.23 -0.53 0.00 0.00 176.83 178.91 3ix4 h GLY 162 N 0.49 0.86 1.14 5.77 0.00 -0.20 -2.19 103.07 108.94 3ix4 h GLY 162 Ca -0.03 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 3ix4 h GLY 162 CO 0.14 0.52 0.42 0.00 0.00 0.00 0.00 176.54 177.61 3ix4 h ALA 163 N 1.27 1.22 -0.00 3.60 0.00 -1.18 0.12 119.26 124.30 3ix4 h ALA 163 Ca 0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ix4 h ALA 163 Cb 0.43 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ix4 h ALA 163 CO 0.02 0.61 0.00 0.78 0.00 0.00 0.00 179.25 180.66 3ix4 h GLY 164 N 1.15 0.00 0.94 0.00 0.00 -1.54 -1.77 103.07 101.86 3ix4 h GLY 164 Ca 0.28 -0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.65 3ix4 h GLY 164 CO -0.04 0.00 0.62 -2.00 0.00 0.00 0.00 176.54 175.12 3ix4 h LEU 165 N -0.06 1.03 0.08 3.11 5.85 -1.04 -1.55 115.31 122.74 3ix4 h LEU 165 Ca 0.00 -0.01 -0.27 0.00 0.84 0.00 0.00 57.88 58.44 3ix4 h LEU 165 Cb 0.06 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.85 3ix4 h LEU 165 CO -0.00 0.71 -1.20 0.00 -0.34 0.00 0.00 178.44 177.61 3ix4 h ALA 166 N 1.45 0.13 0.00 1.25 0.00 -0.68 -3.44 119.26 117.97 3ix4 h ALA 166 Ca 0.38 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ix4 h ALA 166 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ix4 h ALA 166 CO -0.11 0.95 -0.51 1.19 0.00 0.00 0.00 179.25 180.76 3ix4 n PHE 167 N -3.56 -0.21 1.43 0.00 3.01 -0.67 -5.07 117.46 112.37 3ix4 n PHE 167 Ca -0.08 0.04 0.11 0.00 1.01 0.00 0.00 57.45 58.53 3ix4 n PHE 167 Cb 1.00 0.16 0.68 0.00 -0.01 0.00 0.00 39.48 41.31 3ix4 n PHE 167 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16