#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ix4 h VAL 4 N 0.00 1.24 -0.02 1.96 2.07 -2.01 -1.29 116.25 118.21 3ix4 h VAL 4 Ca 0.00 -1.08 -0.58 0.00 0.82 0.00 0.00 66.70 65.87 3ix4 h VAL 4 Cb 0.00 1.12 0.10 0.00 -1.52 0.00 0.00 31.29 31.00 3ix4 h VAL 4 CO 0.00 0.36 1.63 -0.67 0.02 0.00 0.00 177.57 178.91 3ix4 n ASP 5 N -4.19 1.63 -2.13 0.57 -0.08 -1.26 -2.98 116.55 108.11 3ix4 n ASP 5 Ca 0.01 -2.57 -0.03 0.00 -1.51 0.00 0.00 54.79 50.68 3ix4 n ASP 5 Cb 0.34 -0.82 -0.03 0.00 2.34 0.00 0.00 41.12 42.95 3ix4 n ASP 5 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ix4 n GLY 6 N 4.91 -4.32 0.00 0.27 0.00 -1.25 -4.68 105.19 100.11 3ix4 n GLY 6 Ca 0.48 0.91 0.00 0.00 0.00 0.00 0.00 46.02 47.40 3ix4 n GLY 6 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3ix4 n PHE 7 N 0.99 0.00 0.26 1.61 7.35 -0.48 -4.54 117.46 122.64 3ix4 n PHE 7 Ca -0.25 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.57 3ix4 n PHE 7 Cb 0.39 0.00 0.73 0.00 0.35 0.00 0.00 39.48 40.95 3ix4 n PHE 7 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3ix4 h LEU 8 N 0.00 0.00 0.10 -2.13 3.38 -1.81 0.16 115.31 115.01 3ix4 h LEU 8 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ix4 h LEU 8 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ix4 h LEU 8 CO 0.00 0.11 -0.05 -0.33 0.09 0.00 0.00 178.44 178.27 3ix4 h GLU 9 N 0.00 -0.13 -0.66 1.13 5.08 -1.83 -1.15 114.58 117.03 3ix4 h GLU 9 Ca -0.00 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.48 3ix4 h GLU 9 Cb 0.34 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 3ix4 h GLU 9 CO 0.01 0.23 0.24 -0.07 -1.00 0.00 0.00 179.01 178.43 3ix4 h LEU 10 N -0.50 0.23 -0.65 1.33 3.38 -1.63 0.11 115.31 117.57 3ix4 h LEU 10 Ca -0.01 0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3ix4 h LEU 10 Cb 0.42 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3ix4 h LEU 10 CO 0.02 0.12 -0.14 -0.33 0.09 0.00 0.00 178.44 178.20 3ix4 h GLU 11 N 0.41 0.90 0.00 1.13 4.39 -0.72 -2.90 114.58 117.80 3ix4 h GLU 11 Ca 0.34 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ix4 h GLU 11 Cb 0.46 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3ix4 h GLU 11 CO -0.34 0.99 -0.08 0.00 -1.16 0.00 0.00 179.01 178.42 3ix4 h ARG 12 N 0.80 0.00 -7.09 2.33 2.47 -0.74 -3.47 114.38 108.68 3ix4 h ARG 12 Ca 0.12 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.29 3ix4 h ARG 12 Cb 0.68 0.00 0.15 0.00 -1.65 0.00 0.00 29.97 29.14 3ix4 h ARG 12 CO 0.05 0.00 0.55 -1.54 0.56 0.00 0.00 179.97 179.59 3ix4 s SER 13 N -4.86 4.90 -0.29 7.04 1.04 0.33 -5.01 113.70 116.86 3ix4 s SER 13 Ca 0.09 2.66 -0.04 0.00 0.48 0.00 0.00 55.95 59.14 3ix4 s SER 13 Cb 0.11 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.63 3ix4 s SER 13 CO 0.63 -1.81 0.02 -0.55 0.98 0.00 0.00 173.24 172.51 3ix4 s SER 14 N -1.25 4.83 0.00 7.02 0.15 -1.26 -4.96 113.70 118.23 3ix4 s SER 14 Ca 0.78 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 56.48 3ix4 s SER 14 Cb -0.38 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 3ix4 s SER 14 CO 0.42 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.27 3ix4 n GLY 15 N 4.74 -0.05 0.29 9.45 0.00 -1.26 -4.30 105.19 114.06 3ix4 n GLY 15 Ca -0.15 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 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 0.98 -0.18 1.61 3.64 -1.97 -2.56 116.57 118.10 3ix4 h LYS 16 Ca 0.00 -0.40 0.02 0.00 -1.27 0.00 0.00 60.65 59.00 3ix4 h LYS 16 Cb 0.00 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3ix4 h LYS 16 CO 0.00 1.07 0.04 1.25 -2.27 0.00 0.00 179.45 179.55 3ix4 h LEU 17 N 0.85 0.03 -0.46 5.20 7.12 -1.99 0.54 115.31 126.60 3ix4 h LEU 17 Ca 0.12 0.02 -0.07 0.00 0.13 0.00 0.00 57.88 58.08 3ix4 h LEU 17 Cb 0.75 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.89 3ix4 h LEU 17 CO 0.06 0.04 0.03 -0.08 -0.13 0.00 0.00 178.44 178.36 3ix4 h GLU 18 N 0.12 0.79 -0.49 1.25 4.81 -1.74 -1.63 114.58 117.69 3ix4 h GLU 18 Ca 0.08 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 3ix4 h GLU 18 Cb 0.06 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3ix4 h GLU 18 CO -0.09 0.83 0.31 2.35 -0.73 0.00 0.00 179.01 181.67 3ix4 h TRP 19 N 0.64 0.58 -0.64 0.92 7.01 -1.29 -1.54 115.95 121.64 3ix4 h TRP 19 Ca 0.13 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.18 3ix4 h TRP 19 Cb 0.46 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.28 3ix4 h TRP 19 CO 0.03 0.35 0.39 0.77 -2.79 0.00 0.00 178.44 177.20 3ix4 h SER 20 N 0.62 0.64 -0.64 2.65 0.02 -0.74 -1.20 113.55 114.91 3ix4 h SER 20 Ca 0.19 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 3ix4 h SER 20 Cb -0.03 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3ix4 h SER 20 CO -0.06 0.45 0.15 0.00 -1.14 0.00 0.00 176.83 176.22 3ix4 h ALA 21 N 1.28 0.84 -0.16 3.77 0.00 -0.90 -0.75 119.26 123.34 3ix4 h ALA 21 Ca 0.26 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3ix4 h ALA 21 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ix4 h ALA 21 CO -0.11 0.57 -0.00 0.82 0.00 0.00 0.00 179.25 180.53 3ix4 h ILE 22 N 0.95 1.26 -0.25 0.00 2.04 -1.07 -1.76 117.51 118.67 3ix4 h ILE 22 Ca 0.20 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 3ix4 h ILE 22 Cb 0.37 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3ix4 h ILE 22 CO 0.00 0.26 0.11 0.25 0.00 0.00 0.00 178.15 178.77 3ix4 h LEU 23 N 0.03 0.34 -0.72 1.44 5.85 -1.13 -1.45 115.31 119.68 3ix4 h LEU 23 Ca 0.05 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.68 3ix4 h LEU 23 Cb 0.39 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 3ix4 h LEU 23 CO 0.01 0.40 0.41 1.56 -0.34 0.00 0.00 178.44 180.48 3ix4 h GLN 24 N 0.26 0.73 -0.58 1.25 4.20 -1.15 -2.02 115.11 117.80 3ix4 h GLN 24 Ca 0.08 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 3ix4 h GLN 24 Cb 0.16 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3ix4 h GLN 24 CO -0.01 0.48 0.14 -0.22 -0.67 0.00 0.00 178.83 178.56 3ix4 h LYS 25 N 0.76 0.93 -0.62 1.46 3.64 -1.05 0.17 116.57 121.85 3ix4 h LYS 25 Ca 0.32 -0.22 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 3ix4 h LYS 25 Cb 0.19 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 3ix4 h LYS 25 CO -0.18 0.86 0.33 0.52 -2.27 0.00 0.00 179.45 178.70 3ix4 h MET 26 N 0.83 0.59 -0.17 1.90 2.86 -0.89 0.39 114.93 120.44 3ix4 h MET 26 Ca 0.18 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 3ix4 h MET 26 Cb 0.35 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 3ix4 h MET 26 CO 0.00 0.39 -0.05 0.00 1.06 0.00 0.00 176.91 178.31 3ix4 h ALA 27 N 1.33 0.23 -0.28 6.32 0.00 -1.16 -1.60 119.26 124.11 3ix4 h ALA 27 Ca 0.28 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3ix4 h ALA 27 Cb 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ix4 h ALA 27 CO -0.18 0.01 0.12 1.03 0.00 0.00 0.00 179.25 180.22 3ix4 h SER 28 N 0.03 0.17 -0.93 0.00 0.87 -0.62 0.10 113.55 113.17 3ix4 h SER 28 Ca 0.04 0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.69 3ix4 h SER 28 Cb 0.50 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.38 3ix4 h SER 28 CO 0.02 0.13 0.60 0.44 -0.53 0.00 0.00 176.83 177.49 3ix4 h ASP 29 N 0.27 0.92 1.39 6.23 5.19 -0.20 -1.69 116.42 128.53 3ix4 h ASP 29 Ca 0.12 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.53 3ix4 h ASP 29 Cb 0.05 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.38 3ix4 h ASP 29 CO -0.09 0.58 -0.04 0.25 -3.12 0.00 0.00 179.24 176.81 3ix4 h LEU 30 N 1.04 0.00 0.00 1.55 5.85 -0.61 -3.47 115.31 119.67 3ix4 h LEU 30 Ca 0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.13 3ix4 h LEU 30 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3ix4 h LEU 30 CO -0.16 0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.59 3ix4 n GLY 31 N 0.48 1.32 3.44 3.75 0.00 -0.49 -5.02 105.19 108.67 3ix4 n GLY 31 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.90 3.08 0.10 1.61 0.40 0.24 -4.68 117.98 116.83 3ix4 s PHE 32 Ca 0.00 -0.45 0.04 0.00 -0.60 0.00 0.00 56.93 55.92 3ix4 s PHE 32 Cb 0.00 -2.20 -0.23 0.00 0.51 0.00 0.00 43.02 41.09 3ix4 s PHE 32 CO 0.00 -0.34 1.21 0.66 0.70 0.00 0.00 175.22 177.45 3ix4 h SER 33 N 8.08 0.12 -4.06 1.36 4.64 -1.78 -2.71 113.55 119.20 3ix4 h SER 33 Ca -0.38 -0.14 -0.50 0.00 -0.47 0.00 0.00 61.79 60.30 3ix4 h SER 33 Cb 1.17 -0.04 -0.30 0.00 -0.31 0.00 0.00 62.40 62.92 3ix4 h SER 33 CO 0.59 1.11 -0.82 -0.54 -0.87 0.00 0.00 176.83 176.30 3ix4 s LYS 34 N -2.69 1.30 0.03 4.77 -0.14 -1.22 -4.93 119.74 116.85 3ix4 s LYS 34 Ca -0.01 -0.50 0.00 0.00 -1.36 0.00 0.00 55.97 54.10 3ix4 s LYS 34 Cb 0.09 -1.21 -0.03 0.00 -1.68 0.00 0.00 37.83 35.01 3ix4 s LYS 34 CO 0.84 0.26 -0.04 0.96 -0.76 0.00 0.00 175.35 176.61 3ix4 s ILE 35 N -0.14 0.20 -0.05 2.17 -4.36 -1.26 -0.74 121.20 117.02 3ix4 s ILE 35 Ca 0.02 -1.14 -0.00 0.00 -0.26 0.00 0.00 60.65 59.27 3ix4 s ILE 35 Cb -0.08 -0.59 0.03 0.00 1.25 0.00 0.00 42.46 43.07 3ix4 s ILE 35 CO 0.00 -0.59 -0.01 -0.22 0.24 0.00 0.00 174.94 174.36 3ix4 s LEU 36 N -1.81 1.00 -0.26 0.37 0.20 -0.45 -2.10 118.68 115.64 3ix4 s LEU 36 Ca -0.10 -0.08 -0.06 0.00 0.69 0.00 0.00 54.13 54.58 3ix4 s LEU 36 Cb -0.06 -0.37 -0.01 0.00 -0.43 0.00 0.00 46.19 45.32 3ix4 s LEU 36 CO -0.03 -0.12 0.04 0.12 -0.29 0.00 0.00 176.35 176.07 3ix4 s PHE 37 N 1.33 3.07 -0.03 5.38 5.36 0.42 -1.00 117.98 132.51 3ix4 s PHE 37 Ca -0.05 -0.79 0.07 0.00 -0.96 0.00 0.00 56.93 55.20 3ix4 s PHE 37 Cb -0.13 -2.20 -0.02 0.00 -0.34 0.00 0.00 43.02 40.33 3ix4 s PHE 37 CO -0.02 -0.50 -0.24 0.20 -1.46 0.00 0.00 175.22 173.20 3ix4 s GLY 38 N 1.53 1.18 -0.07 13.12 0.00 -0.28 -0.19 107.32 122.60 3ix4 s GLY 38 Ca 0.05 -1.02 -0.05 0.00 0.00 0.00 0.00 44.72 43.70 3ix4 s GLY 38 CO 0.01 -0.81 0.17 -2.27 0.00 0.00 0.00 173.10 170.20 3ix4 s LEU 39 N -0.48 1.13 0.14 0.66 2.96 0.35 -1.19 118.68 122.25 3ix4 s LEU 39 Ca 0.07 0.34 0.11 0.00 -0.22 0.00 0.00 54.13 54.43 3ix4 s LEU 39 Cb -0.10 0.54 -0.04 0.00 0.50 0.00 0.00 46.19 47.09 3ix4 s LEU 39 CO -0.00 -0.09 -0.26 -0.76 -1.32 0.00 0.00 176.35 173.92 3ix4 s LEU 40 N 0.45 2.34 0.82 -0.68 1.43 0.94 -0.90 118.68 123.07 3ix4 s LEU 40 Ca -0.03 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.18 3ix4 s LEU 40 Cb -0.04 -1.19 0.08 0.00 0.03 0.00 0.00 46.19 45.07 3ix4 s LEU 40 CO -0.02 0.16 1.11 -2.16 0.23 0.00 0.00 176.35 175.67 3ix4 s PRO 41 N -2.16 1.93 0.24 1.29 0.04 -1.26 -1.33 135.00 133.74 3ix4 s PRO 41 Ca 0.15 0.50 -0.29 0.00 0.04 0.00 0.00 61.00 61.40 3ix4 s PRO 41 Cb -0.10 -1.91 -0.15 0.00 0.04 0.00 0.00 34.50 32.38 3ix4 s PRO 41 CO 0.07 -1.70 0.94 1.17 0.04 0.00 0.00 177.00 177.51 3ix4 n LYS 42 N -3.46 0.98 -1.18 4.56 4.81 -1.24 -2.26 118.16 120.38 3ix4 n LYS 42 Ca 0.07 0.35 -0.06 0.00 -0.87 0.00 0.00 58.31 57.79 3ix4 n LYS 42 Cb 0.57 -1.67 -0.03 0.00 0.02 0.00 0.00 35.03 33.93 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 1.57 -5.40 -4.81 3.14 8.00 -1.26 -4.99 116.55 112.79 3ix4 n ASP 43 Ca 0.13 0.15 -0.37 0.00 0.71 0.00 0.00 54.79 55.41 3ix4 n ASP 43 Cb 0.28 -3.45 -0.06 0.00 -0.02 0.00 0.00 41.12 37.87 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 -2.28 6.58 -0.15 -2.24 0.15 -0.96 -4.96 113.70 109.84 3ix4 s SER 44 Ca 0.00 0.69 0.18 0.00 0.70 0.00 0.00 55.95 57.52 3ix4 s SER 44 Cb 0.00 -2.18 0.37 0.00 -1.71 0.00 0.00 66.02 62.50 3ix4 s SER 44 CO 0.00 0.28 1.24 1.67 1.20 0.00 0.00 173.24 177.62 3ix4 n GLN 45 N 2.41 1.79 -2.19 5.44 7.27 -1.26 -4.87 117.38 125.97 3ix4 n GLN 45 Ca -0.15 -2.68 -0.42 0.00 0.07 0.00 0.00 57.00 53.82 3ix4 n GLN 45 Cb 0.53 -1.61 0.00 0.00 2.41 0.00 0.00 30.24 31.57 3ix4 n GLN 45 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 3ix4 n ASP 46 N -1.15 5.54 -0.01 1.69 2.03 -1.26 -4.78 116.55 118.61 3ix4 n ASP 46 Ca 0.18 -3.08 0.06 0.00 0.52 0.00 0.00 54.79 52.48 3ix4 n ASP 46 Cb 0.72 -1.48 0.45 0.00 -0.72 0.00 0.00 41.12 40.10 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 5.56 0.47 0.00 -0.67 -1.99 -1.99 -0.81 116.97 117.54 3ix4 h TYR 47 Ca 0.47 0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.21 3ix4 h TYR 47 Cb 0.57 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 39.14 3ix4 h TYR 47 CO 1.34 0.28 0.00 0.39 -0.00 0.00 0.00 178.16 180.17 3ix4 n GLU 48 N -4.48 0.02 -0.66 4.88 4.71 -1.26 -2.27 120.64 121.58 3ix4 n GLU 48 Ca 0.05 0.29 0.05 0.00 -0.01 0.00 0.00 57.16 57.54 3ix4 n GLU 48 Cb 0.14 -1.50 0.11 0.00 -1.01 0.00 0.00 31.44 29.18 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 -1.48 1.40 -4.77 1.62 3.02 -0.32 -5.08 115.26 109.66 3ix4 n ASN 49 Ca 0.03 -2.92 -0.33 0.00 -0.03 0.00 0.00 54.58 51.34 3ix4 n ASN 49 Cb 0.13 -0.39 0.06 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.82 2.40 -0.25 5.41 0.00 -0.96 -4.97 121.76 121.57 3ix4 s ALA 50 Ca 0.29 0.50 -0.29 0.00 0.00 0.00 0.00 51.96 52.46 3ix4 s ALA 50 Cb 0.29 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 3ix4 s ALA 50 CO -0.06 -1.42 1.33 0.12 0.00 0.00 0.00 175.76 175.74 3ix4 s PHE 51 N -2.45 2.66 -0.09 0.00 5.36 -0.08 -4.88 117.98 118.50 3ix4 s PHE 51 Ca 0.66 0.87 0.03 0.00 -0.96 0.00 0.00 56.93 57.53 3ix4 s PHE 51 Cb -0.20 -3.79 0.01 0.00 -0.34 0.00 0.00 43.02 38.70 3ix4 s PHE 51 CO 0.45 -1.87 -0.19 0.42 -1.46 0.00 0.00 175.22 172.57 3ix4 s ILE 52 N 4.18 1.67 0.03 3.12 1.01 -1.26 -0.49 121.20 129.46 3ix4 s ILE 52 Ca 0.58 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 60.50 3ix4 s ILE 52 Cb -0.19 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 3ix4 s ILE 52 CO 0.21 0.47 -0.20 -0.69 0.00 0.00 0.00 174.94 174.73 3ix4 s VAL 53 N 0.50 1.62 -4.16 2.92 1.01 0.73 -4.99 120.40 118.02 3ix4 s VAL 53 Ca -0.17 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.70 3ix4 s VAL 53 Cb -0.17 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.81 3ix4 s VAL 53 CO 0.06 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.02 3ix4 n GLY 54 N 2.01 0.87 0.52 4.51 0.00 -1.26 -0.43 105.19 111.41 3ix4 n GLY 54 Ca -0.17 -1.97 0.07 0.00 0.00 0.00 0.00 46.02 43.94 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 2.28 1.70 -4.68 1.61 0.23 -0.89 -5.01 115.26 110.50 3ix4 n ASN 55 Ca 0.00 -3.26 -0.40 0.00 -0.53 0.00 0.00 54.58 50.39 3ix4 n ASN 55 Cb 0.00 -0.44 0.02 0.00 -2.08 0.00 0.00 39.78 37.28 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 -0.94 1.81 -1.64 -2.53 0.53 -1.23 -4.76 117.16 108.40 3ix4 n TYR 56 Ca 0.15 0.49 -0.47 0.00 -1.02 0.00 0.00 57.90 57.05 3ix4 n TYR 56 Cb 0.73 -2.32 -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 -0.28 1.76 -0.34 -0.72 -0.02 -1.26 -4.84 135.00 129.29 3ix4 n PRO 57 Ca 0.09 0.63 0.05 0.00 -2.02 0.00 0.00 63.50 62.25 3ix4 n PRO 57 Cb 0.42 -2.30 0.20 0.00 -0.02 0.00 0.00 33.50 31.80 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 4.70 1.38 -0.11 3.55 0.00 -1.99 -1.66 119.26 125.13 3ix4 h ALA 58 Ca -0.45 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 3ix4 h ALA 58 Cb 1.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3ix4 h ALA 58 CO 0.79 0.24 -0.17 0.00 0.00 0.00 0.00 179.25 180.11 3ix4 h ALA 59 N 1.49 1.51 -0.11 0.00 0.00 -1.99 -0.68 119.26 119.47 3ix4 h ALA 59 Ca 0.45 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3ix4 h ALA 59 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ix4 h ALA 59 CO -0.24 0.35 -0.21 2.35 0.00 0.00 0.00 179.25 181.50 3ix4 h TRP 60 N 0.17 0.43 -0.70 0.00 2.91 -1.69 -1.28 115.95 115.79 3ix4 h TRP 60 Ca 0.03 -0.15 0.06 0.00 1.13 0.00 0.00 58.89 59.96 3ix4 h TRP 60 Cb 0.41 -0.08 -0.06 0.00 -0.51 0.00 0.00 29.16 28.92 3ix4 h TRP 60 CO 0.00 0.82 0.40 0.00 -1.03 0.00 0.00 178.44 178.64 3ix4 h ARG 61 N -0.09 0.71 -0.44 2.65 3.08 -1.05 0.70 114.38 119.95 3ix4 h ARG 61 Ca 0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3ix4 h ARG 61 Cb 0.80 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3ix4 h ARG 61 CO 0.05 0.47 0.23 0.93 -1.07 0.00 0.00 179.97 180.58 3ix4 h GLU 62 N 0.73 0.62 -0.29 0.04 5.08 -1.13 -2.53 114.58 117.09 3ix4 h GLU 62 Ca 0.32 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.63 3ix4 h GLU 62 Cb 0.19 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3ix4 h GLU 62 CO -0.18 0.51 0.08 1.25 -1.00 0.00 0.00 179.01 179.67 3ix4 h HIS 63 N 0.57 0.15 -0.46 4.33 2.76 -0.66 -0.77 115.15 121.06 3ix4 h HIS 63 Ca 0.15 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.41 3ix4 h HIS 63 Cb 0.08 -0.02 -0.06 0.00 1.55 0.00 0.00 27.41 28.95 3ix4 h HIS 63 CO -0.02 0.06 0.10 -0.92 -1.30 0.00 0.00 177.93 175.85 3ix4 h TYR 64 N 0.21 0.16 -0.35 5.26 3.20 -0.74 0.46 116.97 125.17 3ix4 h TYR 64 Ca 0.13 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 3ix4 h TYR 64 Cb 0.12 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3ix4 h TYR 64 CO -0.15 0.01 -0.03 -0.44 -1.64 0.00 0.00 178.16 175.92 3ix4 h ASP 65 N 0.24 0.64 -0.57 -2.11 3.32 -1.21 -1.19 116.42 115.53 3ix4 h ASP 65 Ca 0.23 -0.33 -0.10 0.00 0.02 0.00 0.00 57.03 56.85 3ix4 h ASP 65 Cb 0.29 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3ix4 h ASP 65 CO -0.29 0.81 -0.03 -0.09 -1.72 0.00 0.00 179.24 177.92 3ix4 h ARG 66 N 0.45 1.03 -0.00 3.56 2.43 -0.61 -2.83 114.38 118.42 3ix4 h ARG 66 Ca 0.10 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3ix4 h ARG 66 Cb 0.50 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3ix4 h ARG 66 CO 0.02 1.04 -0.07 0.00 -1.51 0.00 0.00 179.97 179.45 3ix4 n ALA 67 N -2.48 2.51 -3.39 2.80 0.00 0.11 -4.94 120.51 115.12 3ix4 n ALA 67 Ca 0.02 -0.14 -0.19 0.00 0.00 0.00 0.00 53.44 53.14 3ix4 n ALA 67 Cb 0.36 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 18.46 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 1.49 -0.33 0.21 0.00 0.00 -0.88 -4.90 105.19 100.78 3ix4 n GLY 68 Ca 0.07 0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.10 0.00 -0.18 1.61 0.05 -1.52 -2.34 116.97 112.49 3ix4 h TYR 69 Ca -0.51 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.32 3ix4 h TYR 69 Cb 1.32 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.05 3ix4 h TYR 69 CO 0.42 0.00 0.17 0.00 -1.05 0.00 0.00 178.16 177.71 3ix4 h ALA 70 N 2.11 1.90 0.00 3.88 0.00 -1.91 0.59 119.26 125.83 3ix4 h ALA 70 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ix4 h ALA 70 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ix4 h ALA 70 CO 0.00 -0.27 -0.01 0.54 0.00 0.00 0.00 179.25 179.52 3ix4 n ARG 71 N -3.99 0.07 -0.03 0.00 1.74 -0.88 -4.30 116.66 109.27 3ix4 n ARG 71 Ca 0.02 0.06 -0.05 0.00 -0.77 0.00 0.00 57.85 57.11 3ix4 n ARG 71 Cb 0.30 -1.58 -0.02 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 -1.71 0.28 -1.44 1.55 0.31 0.44 -5.01 118.33 112.75 3ix4 n VAL 72 Ca 0.07 -0.08 -0.59 0.00 -0.01 0.00 0.00 64.34 63.73 3ix4 n VAL 72 Cb 0.37 -1.30 -0.10 0.00 -0.91 0.00 0.00 33.84 31.89 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 -3.06 1.38 0.22 4.52 -0.08 0.18 -4.77 116.55 114.94 3ix4 n ASP 73 Ca -0.10 0.74 0.15 0.00 -1.51 0.00 0.00 54.79 54.08 3ix4 n ASP 73 Cb 0.58 -1.02 0.69 0.00 2.34 0.00 0.00 41.12 43.71 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 9.01 0.00 0.00 -0.67 0.13 -1.90 -2.11 132.00 136.46 3ix4 h PRO 74 Ca -0.24 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.77 3ix4 h PRO 74 Cb 1.37 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.49 3ix4 h PRO 74 CO 1.04 0.00 -0.57 1.79 -0.23 0.00 0.00 178.00 180.03 3ix4 h THR 75 N 0.00 1.14 0.11 1.56 1.35 -1.93 -2.70 112.91 112.44 3ix4 h THR 75 Ca 0.00 -2.18 -0.01 0.00 -0.55 0.00 0.00 66.41 63.68 3ix4 h THR 75 Cb 0.29 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 3ix4 h THR 75 CO 0.00 0.56 -0.05 0.58 -0.25 0.00 0.00 175.52 176.36 3ix4 h VAL 76 N 0.00 1.03 -0.85 6.82 2.07 -1.70 -0.63 116.25 123.00 3ix4 h VAL 76 Ca -0.01 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 66.96 3ix4 h VAL 76 Cb 1.23 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 3ix4 h VAL 76 CO 0.07 0.14 0.56 0.77 0.02 0.00 0.00 177.57 179.13 3ix4 h SER 77 N -0.41 0.97 -0.36 0.57 4.64 -1.62 -2.45 113.55 114.88 3ix4 h SER 77 Ca -0.02 -0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.33 3ix4 h SER 77 Cb 0.34 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.14 3ix4 h SER 77 CO 0.02 0.70 0.11 -0.74 -0.87 0.00 0.00 176.83 176.06 3ix4 h HIS 78 N 1.15 0.20 -0.77 4.77 6.17 -1.38 -2.37 115.15 122.90 3ix4 h HIS 78 Ca 0.31 0.02 0.11 0.00 0.71 0.00 0.00 60.37 61.52 3ix4 h HIS 78 Cb -0.13 -0.03 -0.05 0.00 2.52 0.00 0.00 27.41 29.72 3ix4 h HIS 78 CO -0.01 0.07 0.51 0.00 0.71 0.00 0.00 177.93 179.21 3ix4 h THR 80 N 0.64 0.34 0.00 0.00 1.35 -1.13 -3.24 112.91 110.87 3ix4 h THR 80 Ca 0.36 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 3ix4 h THR 80 Cb 0.54 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 3ix4 h THR 80 CO -0.14 0.08 -1.36 0.00 -0.25 0.00 0.00 175.52 173.85 3ix4 n GLN 81 N -3.40 0.96 -3.85 4.72 6.02 -0.00 -5.06 117.38 116.77 3ix4 n GLN 81 Ca -0.01 -0.09 -0.11 0.00 -0.01 0.00 0.00 57.00 56.78 3ix4 n GLN 81 Cb 0.24 -1.26 -0.09 0.00 1.02 0.00 0.00 30.24 30.15 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 -3.20 0.03 0.00 1.08 0.15 -0.44 -5.01 113.70 106.31 3ix4 s SER 82 Ca -0.03 -0.34 0.22 0.00 0.70 0.00 0.00 55.95 56.51 3ix4 s SER 82 Cb 0.09 0.28 0.28 0.00 -1.71 0.00 0.00 66.02 64.95 3ix4 s SER 82 CO 0.54 -0.53 1.28 1.33 1.20 0.00 0.00 173.24 177.06 3ix4 n VAL 83 N 0.81 0.24 -3.63 4.45 0.24 -1.26 -4.62 118.33 114.56 3ix4 n VAL 83 Ca -0.19 -0.62 -0.29 0.00 -2.04 0.00 0.00 64.34 61.20 3ix4 n VAL 83 Cb 0.58 1.23 -0.04 0.00 -1.47 0.00 0.00 33.84 34.15 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 -1.65 4.21 0.56 1.34 1.43 -1.26 -4.62 118.68 118.69 3ix4 s LEU 84 Ca 0.31 0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 53.70 3ix4 s LEU 84 Cb 0.20 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 3ix4 s LEU 84 CO 0.29 -0.04 1.30 -2.84 0.23 0.00 0.00 176.35 175.28 3ix4 s PRO 85 N -3.19 3.06 -0.20 1.29 0.02 -1.26 -4.41 135.00 130.30 3ix4 s PRO 85 Ca 0.40 2.07 0.01 0.00 0.02 0.00 0.00 61.00 63.51 3ix4 s PRO 85 Cb -0.11 -2.13 0.03 0.00 0.02 0.00 0.00 34.50 32.31 3ix4 s PRO 85 CO 0.28 -1.20 -0.17 -1.50 -0.33 0.00 0.00 177.00 174.08 3ix4 s ILE 86 N -1.40 2.17 0.36 2.83 2.07 -0.44 -4.99 121.20 121.80 3ix4 s ILE 86 Ca 0.74 -1.10 -0.22 0.00 -1.41 0.00 0.00 60.65 58.66 3ix4 s ILE 86 Cb -0.37 -2.01 -0.10 0.00 0.13 0.00 0.00 42.46 40.11 3ix4 s ILE 86 CO 0.42 0.38 0.91 -0.36 -1.91 0.00 0.00 174.94 174.37 3ix4 s PHE 87 N 1.25 3.50 -1.55 3.50 0.40 -1.26 -0.93 117.98 122.89 3ix4 s PHE 87 Ca 0.01 1.62 -0.10 0.00 -0.60 0.00 0.00 56.93 57.86 3ix4 s PHE 87 Cb -0.15 -2.83 -0.03 0.00 0.51 0.00 0.00 43.02 40.53 3ix4 s PHE 87 CO -0.10 0.08 2.71 0.91 0.70 0.00 0.00 175.22 179.51 3ix4 n TRP 88 N -0.02 2.68 -3.08 0.36 8.01 -0.37 -4.89 117.44 120.14 3ix4 n TRP 88 Ca 0.04 -3.03 -0.36 0.00 -1.31 0.00 0.00 57.50 52.84 3ix4 n TRP 88 Cb 0.52 -2.41 -0.06 0.00 -2.01 0.00 0.00 31.31 27.35 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 1.90 4.28 0.42 -0.99 0.41 -1.26 -4.73 118.70 118.72 3ix4 s GLU 89 Ca 0.62 0.90 0.25 0.00 -0.41 0.00 0.00 54.97 56.34 3ix4 s GLU 89 Cb 0.17 -2.88 1.29 0.00 -1.78 0.00 0.00 34.13 30.93 3ix4 s GLU 89 CO -0.07 0.39 1.69 -1.00 -0.49 0.00 0.00 175.26 175.78 3ix4 h PRO 90 N 3.42 0.20 0.00 0.39 0.13 -1.96 -0.72 132.00 133.47 3ix4 h PRO 90 Ca -0.48 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3ix4 h PRO 90 Cb 1.19 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3ix4 h PRO 90 CO 0.65 0.13 0.00 0.66 -0.23 0.00 0.00 178.00 179.22 3ix4 h SER 91 N 0.21 0.00 1.44 1.44 4.64 -1.96 -1.86 113.55 117.46 3ix4 h SER 91 Ca 0.72 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.04 3ix4 h SER 91 Cb 2.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.21 3ix4 h SER 91 CO -0.37 0.00 -0.02 2.30 -0.87 0.00 0.00 176.83 177.87 3ix4 n ILE 92 N -3.00 0.56 -3.24 0.95 -5.35 -0.28 -4.53 119.36 104.47 3ix4 n ILE 92 Ca -0.02 -0.27 -0.46 0.00 -0.27 0.00 0.00 62.75 61.73 3ix4 n ILE 92 Cb 0.10 -0.57 -0.04 0.00 -1.74 0.00 0.00 39.64 37.40 3ix4 n ILE 92 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3ix4 s TYR 93 N -3.10 3.33 -0.19 4.28 1.51 -0.70 -4.74 117.35 117.75 3ix4 s TYR 93 Ca 0.11 -1.43 -0.02 0.00 -1.01 0.00 0.00 57.07 54.72 3ix4 s TYR 93 Cb 0.13 -3.90 -0.11 0.00 -0.11 0.00 0.00 41.96 37.97 3ix4 s TYR 93 CO 0.60 -1.11 -0.20 1.04 -1.11 0.00 0.00 175.55 174.77 3ix4 n GLN 94 N 5.23 0.46 -2.15 -0.62 6.02 -1.26 -4.66 117.38 120.39 3ix4 n GLN 94 Ca -0.02 0.13 -0.28 0.00 -0.01 0.00 0.00 57.00 56.83 3ix4 n GLN 94 Cb 0.43 -1.33 0.04 0.00 1.02 0.00 0.00 30.24 30.40 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 -2.38 3.37 0.15 5.09 -4.23 -1.26 -4.89 115.64 111.49 3ix4 s THR 95 Ca -0.26 0.16 -0.19 0.00 -1.18 0.00 0.00 61.69 60.22 3ix4 s THR 95 Cb 0.08 -3.40 0.03 0.00 1.34 0.00 0.00 72.50 70.55 3ix4 s THR 95 CO 0.42 -0.46 1.68 -0.09 -0.54 0.00 0.00 174.62 175.63 3ix4 h ARG 96 N -0.45 -0.02 -0.47 3.99 2.43 -2.00 -0.86 114.38 117.01 3ix4 h ARG 96 Ca -0.45 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 3ix4 h ARG 96 Cb 1.26 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 3ix4 h ARG 96 CO 0.62 -0.01 0.22 0.87 -1.51 0.00 0.00 179.97 180.16 3ix4 h LYS 97 N -0.02 0.65 -0.29 0.20 1.57 -1.99 -2.21 116.57 114.48 3ix4 h LYS 97 Ca 0.14 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 3ix4 h LYS 97 Cb 0.23 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3ix4 h LYS 97 CO -0.30 0.51 -0.30 1.96 -0.57 0.00 0.00 179.45 180.74 3ix4 h GLN 98 N 0.65 0.60 -0.81 3.15 4.20 -1.70 -0.18 115.11 121.02 3ix4 h GLN 98 Ca 0.16 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 3ix4 h GLN 98 Cb 0.08 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 3ix4 h GLN 98 CO -0.02 0.83 0.35 0.45 -0.67 0.00 0.00 178.83 179.77 3ix4 h HIS 99 N 0.51 1.20 -0.36 2.96 3.86 -0.68 -0.11 115.15 122.53 3ix4 h HIS 99 Ca 0.06 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 3ix4 h HIS 99 Cb 0.78 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 3ix4 h HIS 99 CO 0.03 0.89 0.07 1.49 0.86 0.00 0.00 177.93 181.27 3ix4 h GLU 100 N 1.17 0.60 -0.21 2.45 4.81 -1.17 -1.87 114.58 120.35 3ix4 h GLU 100 Ca 0.27 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3ix4 h GLU 100 Cb 0.17 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 3ix4 h GLU 100 CO -0.03 0.65 -0.10 0.35 -0.73 0.00 0.00 179.01 179.15 3ix4 h PHE 101 N 0.44 -0.24 -0.52 0.92 3.57 -0.81 -0.28 116.94 120.02 3ix4 h PHE 101 Ca 0.11 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.71 3ix4 h PHE 101 Cb 0.34 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 3ix4 h PHE 101 CO 0.02 -0.16 0.18 0.35 -2.23 0.00 0.00 178.31 176.47 3ix4 h PHE 102 N -0.07 0.31 -0.30 0.41 3.57 -0.88 -0.02 116.94 119.96 3ix4 h PHE 102 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3ix4 h PHE 102 Cb 0.25 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3ix4 h PHE 102 CO -0.27 0.08 0.19 1.49 -2.23 0.00 0.00 178.31 177.58 3ix4 h GLU 103 N 0.35 0.40 -0.45 1.11 4.81 -0.92 -1.03 114.58 118.84 3ix4 h GLU 103 Ca 0.26 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.35 3ix4 h GLU 103 Cb 0.30 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3ix4 h GLU 103 CO -0.27 0.29 -0.13 0.93 -0.73 0.00 0.00 179.01 179.09 3ix4 h GLU 104 N 0.39 0.88 -0.65 1.92 4.39 -0.66 -2.16 114.58 118.69 3ix4 h GLU 104 Ca 0.11 -0.35 -0.07 0.00 0.34 0.00 0.00 59.36 59.39 3ix4 h GLU 104 Cb -0.02 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 3ix4 h GLU 104 CO -0.02 0.99 0.15 0.00 -1.16 0.00 0.00 179.01 178.97 3ix4 h ALA 105 N 0.86 0.86 -0.99 3.43 0.00 -0.97 -2.81 119.26 119.63 3ix4 h ALA 105 Ca 0.11 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3ix4 h ALA 105 Cb 0.68 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 3ix4 h ALA 105 CO 0.05 0.59 0.65 0.77 0.00 0.00 0.00 179.25 181.31 3ix4 h SER 106 N 0.98 1.10 -0.07 0.00 0.02 -1.09 -0.49 113.55 114.00 3ix4 h SER 106 Ca 0.20 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3ix4 h SER 106 Cb 0.38 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3ix4 h SER 106 CO 0.00 0.77 -0.01 0.00 -1.14 0.00 0.00 176.83 176.46 3ix4 h ALA 107 N 1.41 1.71 0.00 3.77 0.00 -1.17 -0.88 119.26 124.10 3ix4 h ALA 107 Ca 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3ix4 h ALA 107 Cb -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ix4 h ALA 107 CO -0.11 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3ix4 n ALA 108 N -2.50 2.59 -0.62 0.00 0.00 -0.73 -4.87 120.51 114.38 3ix4 n ALA 108 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3ix4 n ALA 108 Cb 0.17 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 0.80 0.72 3.11 0.00 0.00 -0.33 -4.82 105.19 104.67 3ix4 n GLY 109 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3ix4 n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ix4 n LEU 110 N 0.00 4.85 -0.06 0.99 4.77 -0.27 -4.73 117.00 122.55 3ix4 n LEU 110 Ca 0.00 -5.14 -0.11 0.00 -0.03 0.00 0.00 56.01 50.73 3ix4 n LEU 110 Cb 0.00 -1.20 -0.05 0.00 -2.33 0.00 0.00 43.42 39.84 3ix4 n LEU 110 CO 0.00 1.56 -0.93 0.55 -1.33 0.00 0.00 177.39 177.24 3ix4 n VAL 111 N 2.16 0.72 -4.26 4.08 3.14 -1.26 -3.28 118.33 119.63 3ix4 n VAL 111 Ca 0.24 -0.24 -0.35 0.00 -2.96 0.00 0.00 64.34 61.02 3ix4 n VAL 111 Cb 0.37 -1.21 -0.10 0.00 -1.06 0.00 0.00 33.84 31.85 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 -2.25 3.20 -3.73 1.45 4.12 -1.26 -4.91 117.35 113.97 3ix4 s TYR 112 Ca -0.18 0.12 0.00 0.00 0.02 0.00 0.00 57.07 57.04 3ix4 s TYR 112 Cb 0.05 -1.89 0.00 0.00 -1.52 0.00 0.00 41.96 38.61 3ix4 s TYR 112 CO 0.27 0.35 0.00 0.41 0.02 0.00 0.00 175.55 176.60 3ix4 n GLY 113 N 2.62 -0.90 3.37 0.71 0.00 -1.26 -1.17 105.19 108.57 3ix4 n GLY 113 Ca -0.18 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 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 0.36 -0.11 0.99 2.34 -0.53 -1.23 118.68 120.50 3ix4 s LEU 114 Ca 0.00 -0.41 0.02 0.00 0.06 0.00 0.00 54.13 53.81 3ix4 s LEU 114 Cb 0.00 1.87 0.01 0.00 -0.56 0.00 0.00 46.19 47.51 3ix4 s LEU 114 CO 0.00 -0.91 -0.18 -0.89 -1.06 0.00 0.00 176.35 173.31 3ix4 s THR 115 N -3.84 1.66 -0.31 5.48 2.01 -0.11 -1.09 115.64 119.44 3ix4 s THR 115 Ca 0.06 -0.75 -0.12 0.00 0.31 0.00 0.00 61.69 61.18 3ix4 s THR 115 Cb 0.01 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 3ix4 s THR 115 CO -0.09 0.47 0.22 -0.04 -0.69 0.00 0.00 174.62 174.50 3ix4 s MET 116 N 0.81 3.69 0.50 4.92 1.00 0.87 -1.32 119.30 129.77 3ix4 s MET 116 Ca -0.10 -0.50 -0.22 0.00 0.00 0.00 0.00 55.69 54.87 3ix4 s MET 116 Cb -0.16 -3.75 -0.06 0.00 0.00 0.00 0.00 34.83 30.87 3ix4 s MET 116 CO 0.01 -0.34 1.27 -2.14 0.00 0.00 0.00 175.02 173.82 3ix4 s PRO 117 N 1.75 3.44 -0.11 2.03 0.02 -1.26 -0.77 135.00 140.10 3ix4 s PRO 117 Ca 0.07 2.02 0.03 0.00 0.02 0.00 0.00 61.00 63.14 3ix4 s PRO 117 Cb -0.17 -2.34 -0.00 0.00 0.02 0.00 0.00 34.50 32.01 3ix4 s PRO 117 CO 0.11 -0.89 -0.21 -0.51 -0.33 0.00 0.00 177.00 175.17 3ix4 s LEU 118 N -3.28 2.25 -0.27 -5.54 1.43 0.31 -4.84 118.68 108.75 3ix4 s LEU 118 Ca 0.68 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 3ix4 s LEU 118 Cb -0.35 -1.46 0.09 0.00 0.03 0.00 0.00 46.19 44.50 3ix4 s LEU 118 CO 0.42 0.16 0.10 -1.00 0.23 0.00 0.00 176.35 176.26 3ix4 s HIS 119 N 0.35 0.92 0.75 0.29 3.76 -1.26 -1.07 115.29 119.03 3ix4 s HIS 119 Ca -0.17 -1.13 -0.12 0.00 -0.15 0.00 0.00 55.06 53.49 3ix4 s HIS 119 Cb -0.17 -1.19 0.04 0.00 1.11 0.00 0.00 32.58 32.36 3ix4 s HIS 119 CO 0.08 -0.78 1.12 0.20 -0.85 0.00 0.00 174.74 174.51 3ix4 s GLY 120 N 1.89 1.62 0.57 -2.22 0.00 -0.27 -4.92 107.32 103.98 3ix4 s GLY 120 Ca 0.07 -0.42 0.33 0.00 0.00 0.00 0.00 44.72 44.70 3ix4 s GLY 120 CO -0.26 -0.01 2.16 0.00 0.00 0.00 0.00 173.10 174.99 3ix4 h ALA 121 N -0.82 1.18 -0.45 3.20 0.00 -1.98 -1.92 119.26 118.49 3ix4 h ALA 121 Ca -0.46 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 3ix4 h ALA 121 Cb 1.28 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3ix4 h ALA 121 CO 0.64 0.07 0.03 0.54 0.00 0.00 0.00 179.25 180.53 3ix4 n ARG 122 N -3.42 3.76 -0.65 0.00 5.12 -1.26 -4.93 116.66 115.28 3ix4 n ARG 122 Ca -0.02 -3.02 0.00 0.00 -1.93 0.00 0.00 57.85 52.88 3ix4 n ARG 122 Cb 0.19 -2.06 0.00 0.00 -1.16 0.00 0.00 32.46 29.43 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 -0.06 0.67 3.77 -0.13 0.00 -0.72 -4.43 105.19 104.30 3ix4 n GLY 123 Ca 0.27 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.37 3.92 -0.11 1.61 8.01 -1.25 -3.65 118.70 126.86 3ix4 s GLU 124 Ca 0.00 2.43 0.03 0.00 0.01 0.00 0.00 54.97 57.44 3ix4 s GLU 124 Cb 0.00 -2.81 0.01 0.00 -4.31 0.00 0.00 34.13 27.02 3ix4 s GLU 124 CO 0.00 -0.64 -0.19 -1.17 0.01 0.00 0.00 175.26 173.27 3ix4 s LEU 125 N -2.40 1.91 0.00 1.80 2.96 -0.44 -1.12 118.68 121.39 3ix4 s LEU 125 Ca 0.57 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.96 3ix4 s LEU 125 Cb -0.44 -1.23 0.01 0.00 0.50 0.00 0.00 46.19 45.04 3ix4 s LEU 125 CO 0.58 0.08 0.14 0.61 -1.32 0.00 0.00 176.35 176.44 3ix4 n GLY 126 N 3.91 1.90 3.25 7.98 0.00 -0.23 -0.04 105.19 121.95 3ix4 n GLY 126 Ca -0.20 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.25 -0.88 -0.32 4.61 0.00 -0.33 -0.53 121.76 123.07 3ix4 s ALA 127 Ca 0.03 0.96 -0.04 0.00 0.00 0.00 0.00 51.96 52.91 3ix4 s ALA 127 Cb -0.01 -0.54 0.05 0.00 0.00 0.00 0.00 23.12 22.62 3ix4 s ALA 127 CO 0.02 -0.18 0.05 -1.17 0.00 0.00 0.00 175.76 174.49 3ix4 s LEU 128 N 0.08 4.12 -0.12 0.00 2.96 0.05 -1.13 118.68 124.65 3ix4 s LEU 128 Ca -0.01 -1.24 -0.04 0.00 -0.22 0.00 0.00 54.13 52.62 3ix4 s LEU 128 Cb -0.03 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 3ix4 s LEU 128 CO 0.01 -0.30 0.03 -0.44 -1.32 0.00 0.00 176.35 174.33 3ix4 s SER 129 N 1.34 5.45 -0.03 3.68 0.01 -0.17 -0.09 113.70 123.88 3ix4 s SER 129 Ca -0.03 0.15 0.02 0.00 1.31 0.00 0.00 55.95 57.39 3ix4 s SER 129 Cb -0.20 -1.70 0.01 0.00 0.21 0.00 0.00 66.02 64.34 3ix4 s SER 129 CO 0.00 0.32 -0.06 -0.76 0.41 0.00 0.00 173.24 173.15 3ix4 s LEU 130 N -0.50 1.59 0.02 2.44 1.02 -0.25 -1.34 118.68 121.66 3ix4 s LEU 130 Ca 0.09 -0.14 0.02 0.00 0.02 0.00 0.00 54.13 54.13 3ix4 s LEU 130 Cb -0.12 -0.44 -0.04 0.00 0.02 0.00 0.00 46.19 45.62 3ix4 s LEU 130 CO 0.02 0.00 0.00 -0.55 0.02 0.00 0.00 176.35 175.84 3ix4 s SER 131 N 0.50 5.09 -0.09 2.29 0.15 0.08 -1.46 113.70 120.26 3ix4 s SER 131 Ca -0.07 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.56 3ix4 s SER 131 Cb -0.10 -1.30 -0.01 0.00 -1.71 0.00 0.00 66.02 62.89 3ix4 s SER 131 CO 0.00 0.26 -0.19 0.54 1.20 0.00 0.00 173.24 175.05 3ix4 s VAL 132 N -1.14 2.54 -0.35 4.45 0.11 -0.31 -2.60 120.40 123.09 3ix4 s VAL 132 Ca 0.21 -0.87 -0.28 0.00 -2.93 0.00 0.00 61.98 58.11 3ix4 s VAL 132 Cb -0.12 -2.00 0.02 0.00 -1.53 0.00 0.00 36.38 32.75 3ix4 s VAL 132 CO 0.12 0.55 1.05 -0.70 -3.33 0.00 0.00 175.10 172.80 3ix4 s GLU 133 N 0.07 3.97 0.13 1.54 2.12 -1.26 -4.42 118.70 120.85 3ix4 s GLU 133 Ca -0.08 0.90 -0.05 0.00 0.36 0.00 0.00 54.97 56.10 3ix4 s GLU 133 Cb -0.15 -3.77 -0.03 0.00 0.26 0.00 0.00 34.13 30.44 3ix4 s GLU 133 CO 0.05 -0.98 0.14 0.00 -0.54 0.00 0.00 175.26 173.94 3ix4 s ALA 134 N 3.73 0.43 0.20 6.30 0.00 -1.26 -5.01 121.76 126.15 3ix4 s ALA 134 Ca 0.44 -1.17 0.09 0.00 0.00 0.00 0.00 51.96 51.32 3ix4 s ALA 134 Cb -0.11 0.79 0.10 0.00 0.00 0.00 0.00 23.12 23.90 3ix4 s ALA 134 CO 0.18 -0.54 1.46 0.93 0.00 0.00 0.00 175.76 177.80 3ix4 h GLU 135 N 2.76 0.00 -3.15 0.00 4.39 -1.96 -3.47 114.58 113.15 3ix4 h GLU 135 Ca -0.34 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.39 3ix4 h GLU 135 Cb 1.21 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.78 3ix4 h GLU 135 CO 0.55 0.79 0.14 0.54 -1.16 0.00 0.00 179.01 179.88 3ix4 s ASN 136 N -6.79 -0.26 0.33 1.42 2.20 -1.26 -5.06 114.94 105.51 3ix4 s ASN 136 Ca -0.00 -0.58 0.06 0.00 -0.94 0.00 0.00 52.86 51.40 3ix4 s ASN 136 Cb 0.11 0.67 0.57 0.00 -2.00 0.00 0.00 41.25 40.60 3ix4 s ASN 136 CO 0.79 -1.23 1.79 -0.09 -2.94 0.00 0.00 177.10 175.42 3ix4 h ARG 137 N 2.07 0.32 -0.00 3.55 2.43 -1.99 -1.70 114.38 119.06 3ix4 h ARG 137 Ca -0.23 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 58.84 3ix4 h ARG 137 Cb 1.26 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 3ix4 h ARG 137 CO 0.29 0.55 -0.07 0.00 -1.51 0.00 0.00 179.97 179.22 3ix4 h ALA 138 N 1.46 -0.08 -0.62 2.80 0.00 -1.99 0.11 119.26 120.95 3ix4 h ALA 138 Ca 0.05 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ix4 h ALA 138 Cb 0.59 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3ix4 h ALA 138 CO 0.04 -0.57 0.40 1.49 0.00 0.00 0.00 179.25 180.62 3ix4 h GLU 139 N -0.13 0.79 -0.56 0.00 4.81 -1.92 -1.80 114.58 115.77 3ix4 h GLU 139 Ca 0.03 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3ix4 h GLU 139 Cb 0.17 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 3ix4 h GLU 139 CO -0.08 0.52 0.34 0.00 -0.73 0.00 0.00 179.01 179.06 3ix4 h ALA 140 N 1.24 0.72 -0.62 2.92 0.00 -1.02 -1.86 119.26 120.65 3ix4 h ALA 140 Ca 0.24 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3ix4 h ALA 140 Cb -0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3ix4 h ALA 140 CO -0.07 0.06 0.10 -0.91 0.00 0.00 0.00 179.25 178.44 3ix4 h ASN 141 N 0.67 0.95 -0.06 0.00 2.35 -0.51 -1.24 115.58 117.74 3ix4 h ASN 141 Ca 0.23 -0.21 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3ix4 h ASN 141 Cb 0.02 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 3ix4 h ASN 141 CO -0.10 0.95 -0.02 -0.09 -1.65 0.00 0.00 177.43 176.52 3ix4 h ARG 142 N 0.94 -0.01 -0.01 0.81 2.43 -1.11 -1.58 114.38 115.85 3ix4 h ARG 142 Ca 0.19 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3ix4 h ARG 142 Cb 0.40 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3ix4 h ARG 142 CO 0.01 -0.01 0.01 0.35 -1.51 0.00 0.00 179.97 178.82 3ix4 h PHE 143 N -0.01 0.02 -0.88 2.20 3.57 -1.18 -2.53 116.94 118.13 3ix4 h PHE 143 Ca 0.03 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.54 3ix4 h PHE 143 Cb 0.06 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 3ix4 h PHE 143 CO -0.13 0.12 0.59 0.52 -2.23 0.00 0.00 178.31 177.17 3ix4 h MET 144 N -0.08 1.16 -0.80 1.11 2.86 -1.15 -1.55 114.93 116.48 3ix4 h MET 144 Ca 0.01 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 3ix4 h MET 144 Cb 0.10 -0.26 -0.04 0.00 0.06 0.00 0.00 31.60 31.47 3ix4 h MET 144 CO -0.00 0.77 0.33 1.49 1.06 0.00 0.00 176.91 180.56 3ix4 h GLU 145 N 1.20 1.19 0.00 1.72 4.57 -1.23 -1.08 114.58 120.94 3ix4 h GLU 145 Ca 0.32 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 3ix4 h GLU 145 Cb -0.14 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.25 3ix4 h GLU 145 CO -0.07 0.96 -0.10 0.66 -1.18 0.00 0.00 179.01 179.28 3ix4 h SER 146 N 1.16 0.00 -0.03 1.04 4.64 -0.84 -3.01 113.55 116.52 3ix4 h SER 146 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3ix4 h SER 146 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3ix4 h SER 146 CO -0.02 0.10 0.00 1.33 -0.87 0.00 0.00 176.83 177.36 3ix4 n VAL 147 N -3.56 0.12 -0.21 0.95 0.24 -1.03 -4.81 118.33 110.03 3ix4 n VAL 147 Ca -0.02 -0.56 0.01 0.00 -2.04 0.00 0.00 64.34 61.74 3ix4 n VAL 147 Cb 0.23 1.04 0.11 0.00 -1.47 0.00 0.00 33.84 33.75 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 1.04 -0.21 -1.09 1.34 5.85 -1.06 -1.70 115.31 119.48 3ix4 h LEU 148 Ca 0.00 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3ix4 h LEU 148 Cb 0.27 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 3ix4 h LEU 148 CO 0.00 -0.09 0.61 -0.65 -0.34 0.00 0.00 178.44 177.97 3ix4 h PRO 149 N 0.15 1.19 -0.27 5.25 0.11 -1.87 -0.05 132.00 136.51 3ix4 h PRO 149 Ca 0.33 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.33 3ix4 h PRO 149 Cb 0.53 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 3ix4 h PRO 149 CO -0.51 0.79 0.02 1.15 -0.21 0.00 0.00 178.00 179.24 3ix4 h THR 150 N 1.23 1.25 -0.59 -1.15 2.02 -1.74 -2.83 112.91 111.10 3ix4 h THR 150 Ca 0.35 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3ix4 h THR 150 Cb -0.09 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 3ix4 h THR 150 CO -0.09 0.28 0.38 0.25 0.37 0.00 0.00 175.52 176.70 3ix4 h LEU 151 N 0.27 0.69 -0.81 2.58 6.46 -0.93 -0.69 115.31 122.87 3ix4 h LEU 151 Ca 0.08 -0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.71 3ix4 h LEU 151 Cb 0.38 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 3ix4 h LEU 151 CO 0.01 0.51 -0.25 -0.25 -0.62 0.00 0.00 178.44 177.84 3ix4 h TRP 152 N 0.80 0.70 -0.10 1.25 2.91 -0.86 -0.96 115.95 119.70 3ix4 h TRP 152 Ca 0.21 -0.16 -0.21 0.00 1.13 0.00 0.00 58.89 59.87 3ix4 h TRP 152 Cb -0.07 -0.17 0.01 0.00 -0.51 0.00 0.00 29.16 28.43 3ix4 h TRP 152 CO 0.00 0.81 -0.75 0.52 -1.03 0.00 0.00 178.44 177.99 3ix4 h MET 153 N 0.54 0.68 -0.79 2.65 2.86 -1.25 -3.32 114.93 116.29 3ix4 h MET 153 Ca 0.07 -0.60 0.08 0.00 -2.06 0.00 0.00 59.70 57.19 3ix4 h MET 153 Cb 0.71 0.14 -0.06 0.00 0.06 0.00 0.00 31.60 32.45 3ix4 h MET 153 CO 0.05 1.21 0.46 1.25 1.06 0.00 0.00 176.91 180.95 3ix4 h LEU 154 N 0.35 0.69 -1.27 1.22 5.85 -0.74 -2.34 115.31 119.07 3ix4 h LEU 154 Ca -0.07 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 3ix4 h LEU 154 Cb 1.39 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 3ix4 h LEU 154 CO 0.15 0.42 0.37 0.07 -0.34 0.00 0.00 178.44 179.12 3ix4 h LYS 155 N 0.82 0.87 -0.08 1.25 5.09 -1.28 0.12 116.57 123.35 3ix4 h LYS 155 Ca 0.37 -0.08 -0.22 0.00 0.09 0.00 0.00 60.65 60.81 3ix4 h LYS 155 Cb 0.26 -0.18 0.01 0.00 0.10 0.00 0.00 32.23 32.42 3ix4 h LYS 155 CO -0.21 0.62 -0.81 -0.44 -2.09 0.00 0.00 179.45 176.53 3ix4 h ASP 156 N 0.88 0.85 -0.43 7.07 3.32 -1.58 -0.22 116.42 126.33 3ix4 h ASP 156 Ca 0.23 -0.68 0.03 0.00 0.02 0.00 0.00 57.03 56.63 3ix4 h ASP 156 Cb -0.01 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 3ix4 h ASP 156 CO -0.04 1.40 0.23 1.88 -1.72 0.00 0.00 179.24 180.99 3ix4 h TYR 157 N 0.37 0.43 -0.83 4.55 -1.99 -1.18 -0.32 116.97 118.01 3ix4 h TYR 157 Ca -0.08 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.63 3ix4 h TYR 157 Cb 1.45 -0.13 -0.04 0.00 2.00 0.00 0.00 36.73 40.01 3ix4 h TYR 157 CO 0.10 0.24 0.38 0.00 -0.00 0.00 0.00 178.16 178.88 3ix4 h ALA 158 N 1.21 1.07 -0.01 3.88 0.00 -0.75 -1.73 119.26 122.93 3ix4 h ALA 158 Ca 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ix4 h ALA 158 Cb 0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3ix4 h ALA 158 CO -0.10 0.65 0.01 1.25 0.00 0.00 0.00 179.25 181.05 3ix4 h LEU 159 N 1.19 0.01 -0.41 0.00 5.85 -0.75 0.16 115.31 121.36 3ix4 h LEU 159 Ca 0.28 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3ix4 h LEU 159 Cb 0.14 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3ix4 h LEU 159 CO -0.03 0.07 0.18 -0.61 -0.34 0.00 0.00 178.44 177.71 3ix4 h GLN 160 N -0.04 0.61 -0.01 1.25 5.75 -0.85 -0.01 115.11 121.80 3ix4 h GLN 160 Ca 0.00 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 3ix4 h GLN 160 Cb 0.06 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.50 3ix4 h GLN 160 CO -0.00 0.55 -0.02 1.03 -2.65 0.00 0.00 178.83 177.73 3ix4 h SER 161 N 0.52 0.05 -0.16 -0.69 0.87 -1.32 -3.24 113.55 109.57 3ix4 h SER 161 Ca 0.14 -0.56 -0.03 0.00 -1.23 0.00 0.00 61.79 60.11 3ix4 h SER 161 Cb 0.16 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3ix4 h SER 161 CO -0.01 0.60 0.02 1.23 -0.53 0.00 0.00 176.83 178.14 3ix4 h GLY 162 N -0.50 0.40 1.31 5.77 0.00 -0.61 -2.22 103.07 107.22 3ix4 h GLY 162 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 3ix4 h GLY 162 CO 0.01 0.19 0.09 0.00 0.00 0.00 0.00 176.54 176.82 3ix4 h ALA 163 N 1.67 1.14 0.13 3.60 0.00 -1.07 0.59 119.26 125.32 3ix4 h ALA 163 Ca 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ix4 h ALA 163 Cb 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ix4 h ALA 163 CO 0.00 0.57 -0.06 0.78 0.00 0.00 0.00 179.25 180.54 3ix4 h GLY 164 N 0.98 -0.18 0.27 0.00 0.00 -1.49 -1.87 103.07 100.78 3ix4 h GLY 164 Ca 0.17 0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.65 3ix4 h GLY 164 CO 0.01 -0.06 0.02 -2.00 0.00 0.00 0.00 176.54 174.50 3ix4 h LEU 165 N -0.44 -0.15 -0.22 3.11 5.85 -1.23 -2.11 115.31 120.11 3ix4 h LEU 165 Ca -0.02 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3ix4 h LEU 165 Cb 0.36 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3ix4 h LEU 165 CO 0.03 -0.04 -0.11 0.00 -0.34 0.00 0.00 178.44 177.98 3ix4 h ALA 166 N 1.40 0.30 0.00 1.25 0.00 -0.86 -3.41 119.26 117.94 3ix4 h ALA 166 Ca 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ix4 h ALA 166 Cb 0.34 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ix4 h ALA 166 CO -0.37 0.15 -0.62 1.19 0.00 0.00 0.00 179.25 179.60 3ix4 n PHE 167 N -4.53 0.00 1.71 0.00 0.99 -0.71 -5.10 117.46 109.83 3ix4 n PHE 167 Ca -0.05 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.55 3ix4 n PHE 167 Cb 0.34 0.00 0.71 0.00 -1.00 0.00 0.00 39.48 39.52 3ix4 n PHE 167 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85