#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 0.95 -0.58 1.96 2.07 -2.02 -2.13 116.25 116.50 3ix4 h VAL 4 Ca 0.00 -0.22 0.17 0.00 0.82 0.00 0.00 66.70 67.47 3ix4 h VAL 4 Cb 0.00 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 3ix4 h VAL 4 CO 0.00 0.12 0.43 -0.78 0.02 0.00 0.00 177.57 177.36 3ix4 h ASP 5 N 0.64 0.00 0.00 0.57 3.58 -2.05 -1.04 116.42 118.11 3ix4 h ASP 5 Ca 0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.74 3ix4 h ASP 5 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 3ix4 h ASP 5 CO -0.19 0.00 -0.06 0.61 -2.88 0.00 0.00 179.24 176.72 3ix4 n GLY 6 N -1.64 -0.34 0.00 -0.78 0.00 -0.85 -1.39 105.19 100.20 3ix4 n GLY 6 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.24 0.00 -0.12 1.61 7.35 -0.92 -1.88 117.46 123.27 3ix4 n PHE 7 Ca 0.01 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.71 3ix4 n PHE 7 Cb 0.46 0.00 0.29 0.00 0.35 0.00 0.00 39.48 40.58 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 0.69 -0.20 -2.13 3.38 -1.01 0.48 115.31 116.52 3ix4 h LEU 8 Ca 0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3ix4 h LEU 8 Cb 0.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3ix4 h LEU 8 CO 0.00 0.56 0.10 -0.33 0.09 0.00 0.00 178.44 178.86 3ix4 h GLU 9 N 0.79 0.29 -0.41 1.13 5.08 -1.31 -1.55 114.58 118.60 3ix4 h GLU 9 Ca 0.20 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.58 3ix4 h GLU 9 Cb 0.01 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 3ix4 h GLU 9 CO -0.03 0.32 0.11 -0.07 -1.00 0.00 0.00 179.01 178.33 3ix4 h LEU 10 N 0.20 0.06 -1.41 1.33 3.38 -0.62 -1.21 115.31 117.04 3ix4 h LEU 10 Ca 0.07 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3ix4 h LEU 10 Cb 0.12 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3ix4 h LEU 10 CO -0.01 0.07 0.34 -0.33 0.09 0.00 0.00 178.44 178.60 3ix4 h GLU 11 N 0.25 0.73 -0.00 1.13 4.39 -0.77 -2.73 114.58 117.58 3ix4 h GLU 11 Ca 0.20 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3ix4 h GLU 11 Cb 0.22 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3ix4 h GLU 11 CO -0.23 0.51 -0.43 0.54 -1.16 0.00 0.00 179.01 178.23 3ix4 n ARG 12 N -4.43 0.48 -1.85 2.33 5.12 -0.60 -4.96 116.66 112.75 3ix4 n ARG 12 Ca 0.05 -0.31 -0.39 0.00 -1.93 0.00 0.00 57.85 55.27 3ix4 n ARG 12 Cb 0.07 -1.49 0.02 0.00 -1.16 0.00 0.00 32.46 29.89 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 -2.73 5.72 -0.78 0.55 1.04 -0.49 -4.94 113.70 112.06 3ix4 s SER 13 Ca 0.17 2.80 -0.16 0.00 0.48 0.00 0.00 55.95 59.24 3ix4 s SER 13 Cb 0.18 -2.64 0.17 0.00 0.10 0.00 0.00 66.02 63.83 3ix4 s SER 13 CO 0.62 -1.27 0.80 -0.94 0.98 0.00 0.00 173.24 173.43 3ix4 s SER 14 N -0.75 6.58 0.00 7.02 1.04 -1.26 -4.94 113.70 121.39 3ix4 s SER 14 Ca 0.65 -2.26 0.00 0.00 0.48 0.00 0.00 55.95 54.82 3ix4 s SER 14 Cb -0.41 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.45 3ix4 s SER 14 CO 0.51 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.55 3ix4 n GLY 15 N 4.64 1.03 0.33 7.32 0.00 -1.26 -4.34 105.19 112.91 3ix4 n GLY 15 Ca 0.09 -1.89 -0.02 0.00 0.00 0.00 0.00 46.02 44.21 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 0.97 0.33 1.61 3.64 -1.97 -1.79 116.57 119.36 3ix4 h LYS 16 Ca 0.00 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3ix4 h LYS 16 Cb 0.00 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 3ix4 h LYS 16 CO 0.00 0.74 -0.25 1.25 -2.27 0.00 0.00 179.45 178.91 3ix4 h LEU 17 N 0.97 -0.65 -0.64 5.20 5.85 -2.00 0.97 115.31 125.01 3ix4 h LEU 17 Ca 0.24 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 3ix4 h LEU 17 Cb 0.07 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3ix4 h LEU 17 CO -0.03 -0.38 0.30 -0.08 -0.34 0.00 0.00 178.44 177.90 3ix4 h GLU 18 N -0.59 0.93 -0.26 1.25 4.81 -1.72 -1.34 114.58 117.66 3ix4 h GLU 18 Ca -0.03 -0.15 0.03 0.00 -0.13 0.00 0.00 59.36 59.09 3ix4 h GLU 18 Cb 0.51 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 3ix4 h GLU 18 CO -0.00 0.75 0.07 2.35 -0.73 0.00 0.00 179.01 181.45 3ix4 h TRP 19 N 0.89 0.12 -0.80 0.92 7.01 -1.10 -0.51 115.95 122.48 3ix4 h TRP 19 Ca 0.22 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.25 3ix4 h TRP 19 Cb 0.14 -0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.14 3ix4 h TRP 19 CO 0.00 0.05 0.52 0.66 -2.79 0.00 0.00 178.44 176.88 3ix4 h SER 20 N 0.18 0.88 -0.53 2.65 4.64 -0.63 -1.08 113.55 119.65 3ix4 h SER 20 Ca 0.12 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3ix4 h SER 20 Cb 0.10 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 3ix4 h SER 20 CO -0.14 0.62 0.34 0.00 -0.87 0.00 0.00 176.83 176.78 3ix4 h ALA 21 N 1.31 0.68 -0.01 5.18 0.00 -0.63 -0.66 119.26 125.13 3ix4 h ALA 21 Ca 0.30 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ix4 h ALA 21 Cb -0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3ix4 h ALA 21 CO -0.09 0.14 0.00 0.82 0.00 0.00 0.00 179.25 180.13 3ix4 h ILE 22 N 0.72 1.18 -0.47 0.00 2.04 -0.86 -2.26 117.51 117.87 3ix4 h ILE 22 Ca 0.19 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3ix4 h ILE 22 Cb -0.05 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3ix4 h ILE 22 CO -0.04 0.14 0.25 0.25 0.00 0.00 0.00 178.15 178.75 3ix4 h LEU 23 N -0.20 0.59 -0.95 1.44 5.85 -1.09 -1.05 115.31 119.90 3ix4 h LEU 23 Ca 0.00 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3ix4 h LEU 23 Cb 0.23 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3ix4 h LEU 23 CO 0.00 0.52 0.62 1.56 -0.34 0.00 0.00 178.44 180.80 3ix4 h GLN 24 N 0.61 1.19 -0.33 1.25 4.20 -1.14 -1.30 115.11 119.60 3ix4 h GLN 24 Ca 0.16 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.67 3ix4 h GLN 24 Cb 0.07 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3ix4 h GLN 24 CO -0.02 0.79 -0.31 -0.22 -0.67 0.00 0.00 178.83 178.39 3ix4 h LYS 25 N 1.23 0.79 -0.44 1.46 3.64 -1.04 0.11 116.57 122.31 3ix4 h LYS 25 Ca 0.37 -0.41 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 3ix4 h LYS 25 Cb -0.05 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.72 3ix4 h LYS 25 CO -0.11 1.04 0.09 0.52 -2.27 0.00 0.00 179.45 178.72 3ix4 h MET 26 N 0.57 0.21 -0.45 1.90 2.86 -0.98 0.30 114.93 119.34 3ix4 h MET 26 Ca 0.05 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 3ix4 h MET 26 Cb 0.89 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 3ix4 h MET 26 CO 0.08 0.14 -0.01 0.00 1.06 0.00 0.00 176.91 178.18 3ix4 h ALA 27 N 1.34 0.61 -0.34 6.32 0.00 -1.08 -2.25 119.26 123.86 3ix4 h ALA 27 Ca 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3ix4 h ALA 27 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ix4 h ALA 27 CO -0.29 0.42 0.12 1.03 0.00 0.00 0.00 179.25 180.53 3ix4 h SER 28 N 0.65 0.48 -0.34 0.00 0.87 -0.46 -0.59 113.55 114.16 3ix4 h SER 28 Ca 0.13 -0.19 0.04 0.00 -1.23 0.00 0.00 61.79 60.54 3ix4 h SER 28 Cb 0.52 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3ix4 h SER 28 CO 0.03 0.54 0.23 0.44 -0.53 0.00 0.00 176.83 177.53 3ix4 h ASP 29 N 0.39 0.24 1.28 6.23 3.32 -0.35 -0.05 116.42 127.49 3ix4 h ASP 29 Ca 0.11 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 3ix4 h ASP 29 Cb 0.22 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3ix4 h ASP 29 CO -0.01 0.16 -0.38 0.25 -1.72 0.00 0.00 179.24 177.54 3ix4 h LEU 30 N 0.27 0.00 0.00 1.55 5.85 -0.95 -3.47 115.31 118.56 3ix4 h LEU 30 Ca 0.14 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.86 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 -0.03 0.38 0.00 0.61 -0.34 0.00 0.00 178.44 179.06 3ix4 n GLY 31 N 0.79 0.86 3.60 3.75 0.00 -0.03 -4.99 105.19 109.17 3ix4 n GLY 31 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 3.24 -0.02 1.61 0.40 -0.32 -4.67 117.98 116.54 3ix4 s PHE 32 Ca 0.00 0.13 0.12 0.00 -0.60 0.00 0.00 56.93 56.58 3ix4 s PHE 32 Cb 0.00 -2.35 -0.12 0.00 0.51 0.00 0.00 43.02 41.06 3ix4 s PHE 32 CO 0.00 -0.11 1.18 0.66 0.70 0.00 0.00 175.22 177.65 3ix4 h SER 33 N 8.15 0.00 -4.05 1.36 4.64 -1.77 -3.00 113.55 118.88 3ix4 h SER 33 Ca -0.36 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.42 3ix4 h SER 33 Cb 1.18 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 62.97 3ix4 h SER 33 CO 0.58 0.79 -0.83 -0.54 -0.87 0.00 0.00 176.83 175.96 3ix4 s LYS 34 N -2.80 1.53 0.07 4.77 -0.14 -1.24 -4.96 119.74 116.98 3ix4 s LYS 34 Ca 0.01 -0.57 0.02 0.00 -1.36 0.00 0.00 55.97 54.06 3ix4 s LYS 34 Cb 0.09 -1.39 -0.03 0.00 -1.68 0.00 0.00 37.83 34.81 3ix4 s LYS 34 CO 0.80 0.28 -0.07 0.96 -0.76 0.00 0.00 175.35 176.55 3ix4 s ILE 35 N -0.11 0.62 -0.05 2.17 -4.36 -1.26 -0.93 121.20 117.27 3ix4 s ILE 35 Ca 0.00 -1.46 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 3ix4 s ILE 35 Cb -0.09 -1.09 0.02 0.00 1.25 0.00 0.00 42.46 42.56 3ix4 s ILE 35 CO 0.01 -0.59 -0.02 -0.22 0.24 0.00 0.00 174.94 174.35 3ix4 s LEU 36 N -2.22 1.09 -0.24 0.37 0.20 -0.15 -2.14 118.68 115.59 3ix4 s LEU 36 Ca -0.00 -0.10 -0.04 0.00 0.69 0.00 0.00 54.13 54.67 3ix4 s LEU 36 Cb -0.03 -0.41 -0.01 0.00 -0.43 0.00 0.00 46.19 45.31 3ix4 s LEU 36 CO -0.02 -0.10 -0.02 0.12 -0.29 0.00 0.00 176.35 176.04 3ix4 s PHE 37 N 1.24 3.01 -0.03 5.38 5.36 0.51 -0.49 117.98 132.96 3ix4 s PHE 37 Ca -0.06 -0.94 0.06 0.00 -0.96 0.00 0.00 56.93 55.03 3ix4 s PHE 37 Cb -0.14 -2.14 -0.01 0.00 -0.34 0.00 0.00 43.02 40.40 3ix4 s PHE 37 CO -0.02 -0.55 -0.23 0.20 -1.46 0.00 0.00 175.22 173.17 3ix4 s GLY 38 N 1.48 1.15 -0.07 13.12 0.00 -0.36 -0.29 107.32 122.35 3ix4 s GLY 38 Ca 0.05 -0.96 -0.06 0.00 0.00 0.00 0.00 44.72 43.75 3ix4 s GLY 38 CO -0.02 -0.69 0.18 -2.27 0.00 0.00 0.00 173.10 170.31 3ix4 s LEU 39 N -0.32 1.07 0.14 0.66 2.96 0.19 -1.28 118.68 122.09 3ix4 s LEU 39 Ca 0.03 0.38 0.11 0.00 -0.22 0.00 0.00 54.13 54.42 3ix4 s LEU 39 Cb -0.11 0.59 -0.04 0.00 0.50 0.00 0.00 46.19 47.14 3ix4 s LEU 39 CO 0.01 -0.09 -0.26 -0.76 -1.32 0.00 0.00 176.35 173.93 3ix4 s LEU 40 N 0.46 2.34 0.90 -0.68 1.43 0.11 -0.85 118.68 122.38 3ix4 s LEU 40 Ca -0.03 -0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 52.19 3ix4 s LEU 40 Cb -0.04 -1.16 0.13 0.00 0.03 0.00 0.00 46.19 45.14 3ix4 s LEU 40 CO -0.02 0.15 1.11 -2.16 0.23 0.00 0.00 176.35 175.66 3ix4 s PRO 41 N -2.14 1.25 0.26 1.29 0.04 -1.26 -1.26 135.00 133.18 3ix4 s PRO 41 Ca 0.14 0.50 -0.30 0.00 0.04 0.00 0.00 61.00 61.39 3ix4 s PRO 41 Cb -0.10 -1.83 -0.14 0.00 0.04 0.00 0.00 34.50 32.47 3ix4 s PRO 41 CO 0.06 -2.17 1.20 1.17 0.04 0.00 0.00 177.00 177.31 3ix4 n LYS 42 N -3.78 1.65 -1.37 4.56 4.81 -1.24 -2.56 118.16 120.22 3ix4 n LYS 42 Ca 0.06 0.58 -0.11 0.00 -0.87 0.00 0.00 58.31 57.98 3ix4 n LYS 42 Cb 0.57 -2.10 -0.04 0.00 0.02 0.00 0.00 35.03 33.48 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 1.55 -4.29 -4.65 3.14 8.00 -1.26 -5.02 116.55 114.03 3ix4 n ASP 43 Ca 0.10 0.26 -0.34 0.00 0.71 0.00 0.00 54.79 55.52 3ix4 n ASP 43 Cb 0.31 -2.81 -0.10 0.00 -0.02 0.00 0.00 41.12 38.51 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 -2.86 4.99 -0.07 -2.24 0.15 -1.06 -4.98 113.70 107.63 3ix4 s SER 44 Ca 0.00 0.05 0.10 0.00 0.70 0.00 0.00 55.95 56.80 3ix4 s SER 44 Cb 0.00 -1.33 0.16 0.00 -1.71 0.00 0.00 66.02 63.14 3ix4 s SER 44 CO 0.00 0.35 1.06 0.00 1.20 0.00 0.00 173.24 175.85 3ix4 n GLN 45 N 1.99 1.69 -2.13 5.44 6.02 -1.26 -4.90 117.38 124.23 3ix4 n GLN 45 Ca -0.17 -2.01 -0.42 0.00 -0.01 0.00 0.00 57.00 54.38 3ix4 n GLN 45 Cb 0.53 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.58 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 -0.96 5.55 -0.00 1.08 2.03 -1.26 -4.78 116.55 118.21 3ix4 n ASP 46 Ca 0.09 -3.05 0.12 0.00 0.52 0.00 0.00 54.79 52.47 3ix4 n ASP 46 Cb 0.51 -1.49 0.55 0.00 -0.72 0.00 0.00 41.12 39.96 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 0.30 0.00 -0.67 -1.99 -1.99 -0.34 116.97 117.84 3ix4 h TYR 47 Ca 0.50 0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.23 3ix4 h TYR 47 Cb 0.56 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.19 3ix4 h TYR 47 CO 1.37 0.15 0.00 0.39 -0.00 0.00 0.00 178.16 180.08 3ix4 n GLU 48 N -4.47 0.10 -0.30 4.88 4.71 -1.26 -2.27 120.64 122.04 3ix4 n GLU 48 Ca 0.07 0.37 0.07 0.00 -0.01 0.00 0.00 57.16 57.66 3ix4 n GLU 48 Cb 0.32 -1.71 0.12 0.00 -1.01 0.00 0.00 31.44 29.16 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 -1.90 1.77 -4.72 1.62 3.02 -0.16 -5.07 115.26 109.82 3ix4 n ASN 49 Ca 0.02 -2.98 -0.33 0.00 -0.03 0.00 0.00 54.58 51.26 3ix4 n ASN 49 Cb 0.18 -0.40 0.10 0.00 -0.61 0.00 0.00 39.78 39.05 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 2.05 -0.24 5.41 0.00 -0.96 -4.96 121.76 120.76 3ix4 s ALA 50 Ca 0.27 0.74 -0.29 0.00 0.00 0.00 0.00 51.96 52.68 3ix4 s ALA 50 Cb 0.25 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.94 3ix4 s ALA 50 CO -0.00 -1.96 1.19 0.12 0.00 0.00 0.00 175.76 175.11 3ix4 s PHE 51 N -2.22 2.96 -0.07 0.00 5.36 -0.03 -4.89 117.98 119.09 3ix4 s PHE 51 Ca 0.71 1.10 0.05 0.00 -0.96 0.00 0.00 56.93 57.83 3ix4 s PHE 51 Cb -0.26 -3.59 -0.00 0.00 -0.34 0.00 0.00 43.02 38.83 3ix4 s PHE 51 CO 0.48 -1.29 -0.22 0.42 -1.46 0.00 0.00 175.22 173.15 3ix4 s ILE 52 N 3.68 1.83 0.02 3.12 1.01 -1.26 -0.64 121.20 128.97 3ix4 s ILE 52 Ca 0.51 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 60.29 3ix4 s ILE 52 Cb -0.17 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 3ix4 s ILE 52 CO 0.15 0.51 -0.17 -0.69 0.00 0.00 0.00 174.94 174.75 3ix4 s VAL 53 N 0.10 1.32 -5.00 2.92 1.01 0.61 -4.99 120.40 116.37 3ix4 s VAL 53 Ca -0.09 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 60.98 3ix4 s VAL 53 Cb -0.15 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.10 3ix4 s VAL 53 CO 0.05 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.97 3ix4 n GLY 54 N 2.23 0.71 0.13 4.51 0.00 -1.26 -0.36 105.19 111.13 3ix4 n GLY 54 Ca -0.16 -1.82 0.09 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 2.64 2.18 -4.67 1.61 0.23 -0.91 -5.02 115.26 111.32 3ix4 n ASN 55 Ca 0.00 -3.08 -0.42 0.00 -0.53 0.00 0.00 54.58 50.56 3ix4 n ASN 55 Cb 0.00 -0.42 0.00 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 -1.34 1.86 -1.63 -2.53 0.53 -1.23 -4.82 117.16 108.00 3ix4 n TYR 56 Ca 0.15 0.55 -0.48 0.00 -1.02 0.00 0.00 57.90 57.09 3ix4 n TYR 56 Cb 0.65 -2.34 -0.05 0.00 -1.03 0.00 0.00 39.34 36.57 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 0.25 1.70 -0.35 -0.72 -0.02 -1.26 -4.82 135.00 129.77 3ix4 n PRO 57 Ca 0.07 0.61 0.05 0.00 -2.02 0.00 0.00 63.50 62.21 3ix4 n PRO 57 Cb 0.38 -2.31 0.21 0.00 -0.02 0.00 0.00 33.50 31.75 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 5.19 1.42 -0.23 3.55 0.00 -1.99 -0.97 119.26 126.23 3ix4 h ALA 58 Ca -0.46 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 3ix4 h ALA 58 Cb 1.29 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3ix4 h ALA 58 CO 0.83 0.28 -0.07 0.00 0.00 0.00 0.00 179.25 180.28 3ix4 h ALA 59 N 1.50 1.45 -0.07 0.00 0.00 -1.99 -0.22 119.26 119.92 3ix4 h ALA 59 Ca 0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3ix4 h ALA 59 Cb 0.36 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ix4 h ALA 59 CO -0.23 0.39 -0.04 2.35 0.00 0.00 0.00 179.25 181.72 3ix4 h TRP 60 N 0.35 0.16 -0.88 0.00 2.91 -1.57 -1.28 115.95 115.65 3ix4 h TRP 60 Ca 0.07 -0.04 0.09 0.00 1.13 0.00 0.00 58.89 60.15 3ix4 h TRP 60 Cb 0.35 -0.04 -0.07 0.00 -0.51 0.00 0.00 29.16 28.89 3ix4 h TRP 60 CO 0.01 0.53 0.53 0.00 -1.03 0.00 0.00 178.44 178.47 3ix4 h ARG 61 N -0.25 0.86 -0.39 2.65 3.08 -0.98 0.02 114.38 119.37 3ix4 h ARG 61 Ca 0.01 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3ix4 h ARG 61 Cb 0.49 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3ix4 h ARG 61 CO 0.01 0.57 0.11 0.93 -1.07 0.00 0.00 179.97 180.52 3ix4 h GLU 62 N 0.88 0.62 -0.36 0.04 5.08 -1.02 -2.58 114.58 117.25 3ix4 h GLU 62 Ca 0.42 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3ix4 h GLU 62 Cb 0.36 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3ix4 h GLU 62 CO -0.24 0.64 0.24 1.25 -1.00 0.00 0.00 179.01 179.90 3ix4 h HIS 63 N 0.49 0.46 -0.61 4.33 2.76 -0.65 -0.58 115.15 121.35 3ix4 h HIS 63 Ca 0.13 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.37 3ix4 h HIS 63 Cb 0.29 -0.15 -0.06 0.00 1.55 0.00 0.00 27.41 29.04 3ix4 h HIS 63 CO 0.01 0.30 0.31 -0.92 -1.30 0.00 0.00 177.93 176.33 3ix4 h TYR 64 N 0.49 0.57 -0.12 5.26 3.20 -0.91 0.31 116.97 125.77 3ix4 h TYR 64 Ca 0.13 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 3ix4 h TYR 64 Cb -0.05 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.05 3ix4 h TYR 64 CO -0.05 0.25 -0.01 -0.44 -1.64 0.00 0.00 178.16 176.27 3ix4 h ASP 65 N 0.58 0.22 -0.69 -2.11 3.32 -1.27 -0.65 116.42 115.82 3ix4 h ASP 65 Ca 0.28 -0.33 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 3ix4 h ASP 65 Cb 0.21 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3ix4 h ASP 65 CO -0.20 0.50 0.22 -0.09 -1.72 0.00 0.00 179.24 177.95 3ix4 h ARG 66 N -0.06 1.08 -0.00 3.56 2.43 -0.59 -2.52 114.38 118.28 3ix4 h ARG 66 Ca 0.03 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3ix4 h ARG 66 Cb 0.39 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3ix4 h ARG 66 CO 0.01 0.92 -0.05 0.00 -1.51 0.00 0.00 179.97 179.34 3ix4 n ALA 67 N -2.45 2.65 -3.26 2.80 0.00 0.11 -4.92 120.51 115.44 3ix4 n ALA 67 Ca 0.06 -0.22 -0.22 0.00 0.00 0.00 0.00 53.44 53.05 3ix4 n ALA 67 Cb 0.22 -1.41 0.06 0.00 0.00 0.00 0.00 19.45 18.31 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 1.21 -0.46 0.19 0.00 0.00 -0.95 -4.90 105.19 100.29 3ix4 n GLY 68 Ca 0.17 0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.96 0.00 -0.11 1.61 0.05 -1.38 -1.90 116.97 113.28 3ix4 h TYR 69 Ca -0.52 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.29 3ix4 h TYR 69 Cb 1.35 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.08 3ix4 h TYR 69 CO 0.48 0.00 0.15 0.00 -1.05 0.00 0.00 178.16 177.74 3ix4 h ALA 70 N 2.09 1.62 -0.00 3.88 0.00 -1.91 0.40 119.26 125.34 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 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ix4 h ALA 70 CO 0.00 -0.20 -0.28 0.54 0.00 0.00 0.00 179.25 179.30 3ix4 n ARG 71 N -3.65 0.43 -0.04 0.00 1.74 -0.71 -4.43 116.66 110.00 3ix4 n ARG 71 Ca -0.00 -0.22 -0.07 0.00 -0.77 0.00 0.00 57.85 56.79 3ix4 n ARG 71 Cb 0.25 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.17 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 -1.10 0.40 -1.39 1.55 0.31 0.19 -4.99 118.33 113.31 3ix4 n VAL 72 Ca 0.10 -0.12 -0.55 0.00 -0.01 0.00 0.00 64.34 63.76 3ix4 n VAL 72 Cb 0.33 -1.33 -0.09 0.00 -0.91 0.00 0.00 33.84 31.83 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 -3.13 1.60 0.31 4.52 -0.08 0.12 -4.75 116.55 115.13 3ix4 n ASP 73 Ca -0.14 0.56 0.20 0.00 -1.51 0.00 0.00 54.79 53.91 3ix4 n ASP 73 Cb 0.61 -1.11 0.99 0.00 2.34 0.00 0.00 41.12 43.95 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 10.71 0.00 0.00 -0.67 0.13 -1.89 -2.45 132.00 137.83 3ix4 h PRO 74 Ca -0.22 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.81 3ix4 h PRO 74 Cb 1.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 3ix4 h PRO 74 CO 1.04 0.00 -0.49 1.79 -0.23 0.00 0.00 178.00 180.11 3ix4 h THR 75 N 0.00 1.18 0.62 1.56 1.35 -1.93 -2.85 112.91 112.84 3ix4 h THR 75 Ca 0.00 -1.78 -0.03 0.00 -0.55 0.00 0.00 66.41 64.05 3ix4 h THR 75 Cb 0.21 2.00 0.01 0.00 -1.73 0.00 0.00 68.15 68.64 3ix4 h THR 75 CO 0.00 0.48 -0.30 0.58 -0.25 0.00 0.00 175.52 176.03 3ix4 h VAL 76 N 0.00 0.35 -1.00 6.82 2.07 -1.75 -0.69 116.25 122.04 3ix4 h VAL 76 Ca -0.00 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.45 3ix4 h VAL 76 Cb 0.97 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 3ix4 h VAL 76 CO 0.06 0.02 0.64 0.77 0.02 0.00 0.00 177.57 179.08 3ix4 h SER 77 N -0.94 0.98 -0.44 0.57 4.64 -1.69 -1.88 113.55 114.80 3ix4 h SER 77 Ca -0.08 0.03 0.05 0.00 -0.47 0.00 0.00 61.79 61.31 3ix4 h SER 77 Cb 0.67 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 62.54 3ix4 h SER 77 CO 0.14 0.58 0.16 -0.74 -0.87 0.00 0.00 176.83 176.11 3ix4 h HIS 78 N 1.09 0.29 -0.13 4.77 6.17 -1.29 -2.31 115.15 123.75 3ix4 h HIS 78 Ca 0.46 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.57 3ix4 h HIS 78 Cb 0.31 -0.07 -0.01 0.00 2.52 0.00 0.00 27.41 30.17 3ix4 h HIS 78 CO -0.00 0.12 0.09 0.00 0.71 0.00 0.00 177.93 178.84 3ix4 h THR 80 N 0.12 0.00 0.00 0.00 1.35 -1.13 -3.31 112.91 109.95 3ix4 h THR 80 Ca 0.05 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3ix4 h THR 80 Cb 0.06 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 3ix4 h THR 80 CO -0.01 0.00 -1.10 0.00 -0.25 0.00 0.00 175.52 174.16 3ix4 n GLN 81 N -2.88 1.38 -3.92 4.72 6.02 -0.41 -5.07 117.38 117.23 3ix4 n GLN 81 Ca 0.01 -0.05 -0.10 0.00 -0.01 0.00 0.00 57.00 56.85 3ix4 n GLN 81 Cb 0.30 -1.11 -0.09 0.00 1.02 0.00 0.00 30.24 30.36 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 -2.62 0.16 0.00 1.08 0.15 -0.58 -5.01 113.70 106.88 3ix4 s SER 82 Ca -0.01 -0.50 0.23 0.00 0.70 0.00 0.00 55.95 56.37 3ix4 s SER 82 Cb 0.06 0.23 0.19 0.00 -1.71 0.00 0.00 66.02 64.79 3ix4 s SER 82 CO 0.34 -0.50 1.24 1.33 1.20 0.00 0.00 173.24 176.85 3ix4 n VAL 83 N 0.81 0.02 -3.44 4.45 0.24 -1.26 -4.64 118.33 114.53 3ix4 n VAL 83 Ca -0.19 -0.51 -0.31 0.00 -2.04 0.00 0.00 64.34 61.29 3ix4 n VAL 83 Cb 0.58 1.46 -0.05 0.00 -1.47 0.00 0.00 33.84 34.36 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 -1.90 4.15 0.67 1.34 1.43 -1.26 -4.62 118.68 118.50 3ix4 s LEU 84 Ca 0.27 0.81 -0.15 0.00 -1.03 0.00 0.00 54.13 54.04 3ix4 s LEU 84 Cb 0.19 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.84 3ix4 s LEU 84 CO 0.29 -0.09 1.12 -2.16 0.23 0.00 0.00 176.35 175.75 3ix4 s PRO 85 N -2.98 2.69 -0.20 1.29 0.04 -1.26 -4.45 135.00 130.12 3ix4 s PRO 85 Ca 0.45 1.44 0.01 0.00 0.04 0.00 0.00 61.00 62.94 3ix4 s PRO 85 Cb -0.11 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.52 3ix4 s PRO 85 CO 0.24 -1.35 -0.17 -1.50 0.04 0.00 0.00 177.00 174.26 3ix4 s ILE 86 N -2.30 2.20 0.30 0.56 2.07 -0.45 -4.99 121.20 118.60 3ix4 s ILE 86 Ca 0.68 -1.01 -0.24 0.00 -1.41 0.00 0.00 60.65 58.67 3ix4 s ILE 86 Cb -0.22 -1.99 -0.10 0.00 0.13 0.00 0.00 42.46 40.29 3ix4 s ILE 86 CO 0.42 0.44 0.88 -0.36 -1.91 0.00 0.00 174.94 174.42 3ix4 s PHE 87 N 1.28 3.65 -1.20 3.50 0.40 -1.26 -1.39 117.98 122.96 3ix4 s PHE 87 Ca 0.03 1.66 -0.19 0.00 -0.60 0.00 0.00 56.93 57.82 3ix4 s PHE 87 Cb -0.14 -2.83 0.07 0.00 0.51 0.00 0.00 43.02 40.63 3ix4 s PHE 87 CO -0.11 0.22 1.61 -1.58 0.70 0.00 0.00 175.22 176.06 3ix4 s TRP 88 N -1.64 2.77 0.15 0.36 0.51 -0.19 -4.89 118.94 116.01 3ix4 s TRP 88 Ca 0.49 -1.43 0.09 0.00 -2.12 0.00 0.00 56.10 53.13 3ix4 s TRP 88 Cb -0.17 -4.69 -0.04 0.00 -0.81 0.00 0.00 33.47 27.76 3ix4 s TRP 88 CO 0.22 -1.80 -0.12 -1.21 -0.51 0.00 0.00 176.95 173.52 3ix4 s GLU 89 N 4.19 1.98 0.46 4.98 0.41 -1.26 -4.58 118.70 124.89 3ix4 s GLU 89 Ca 0.50 -1.21 0.24 0.00 -0.41 0.00 0.00 54.97 54.09 3ix4 s GLU 89 Cb 0.02 -2.16 1.26 0.00 -1.78 0.00 0.00 34.13 31.46 3ix4 s GLU 89 CO 0.02 0.46 1.84 -1.35 -0.49 0.00 0.00 175.26 175.73 3ix4 h PRO 90 N 3.25 0.23 0.00 0.39 0.11 -1.95 -1.96 132.00 132.08 3ix4 h PRO 90 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3ix4 h PRO 90 Cb 1.19 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3ix4 h PRO 90 CO 0.52 0.15 -0.04 0.66 -0.21 0.00 0.00 178.00 179.08 3ix4 h SER 91 N 0.24 0.00 1.63 -2.05 4.64 -1.96 -2.15 113.55 113.90 3ix4 h SER 91 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 3ix4 h SER 91 Cb 1.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 3ix4 h SER 91 CO -0.14 0.04 0.00 0.16 -0.87 0.00 0.00 176.83 176.02 3ix4 h ILE 92 N 0.00 0.00 -3.55 0.95 3.07 -1.69 -3.40 117.51 112.90 3ix4 h ILE 92 Ca -0.00 -0.67 -0.76 0.00 1.55 0.00 0.00 64.86 64.98 3ix4 h ILE 92 Cb 0.17 1.66 -0.27 0.00 -0.27 0.00 0.00 36.82 38.11 3ix4 h ILE 92 CO 0.00 0.00 -0.11 -0.31 -1.05 0.00 0.00 178.15 176.68 3ix4 s TYR 93 N -3.18 3.55 -0.25 0.16 1.51 -0.81 -4.76 117.35 113.58 3ix4 s TYR 93 Ca 0.09 -1.93 -0.16 0.00 -1.01 0.00 0.00 57.07 54.05 3ix4 s TYR 93 Cb 0.09 -3.68 -0.15 0.00 -0.11 0.00 0.00 41.96 38.12 3ix4 s TYR 93 CO 0.61 -0.98 -0.15 1.04 -1.11 0.00 0.00 175.55 174.97 3ix4 n GLN 94 N 4.31 0.58 -1.97 -0.62 6.02 -1.26 -4.54 117.38 119.90 3ix4 n GLN 94 Ca 0.04 0.37 -0.30 0.00 -0.01 0.00 0.00 57.00 57.10 3ix4 n GLN 94 Cb 0.43 -1.58 0.04 0.00 1.02 0.00 0.00 30.24 30.15 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 -2.46 3.59 0.22 5.09 -4.23 -1.26 -4.86 115.64 111.74 3ix4 s THR 95 Ca -0.35 0.42 -0.08 0.00 -1.18 0.00 0.00 61.69 60.50 3ix4 s THR 95 Cb 0.12 -3.50 0.19 0.00 1.34 0.00 0.00 72.50 70.65 3ix4 s THR 95 CO 0.53 -0.63 1.88 -0.09 -0.54 0.00 0.00 174.62 175.77 3ix4 h ARG 96 N -0.55 1.03 -0.36 3.99 2.43 -1.99 0.49 114.38 119.42 3ix4 h ARG 96 Ca -0.45 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 58.73 3ix4 h ARG 96 Cb 1.25 -0.23 -0.07 0.00 -0.42 0.00 0.00 29.97 30.50 3ix4 h ARG 96 CO 0.63 0.68 -0.11 0.87 -1.51 0.00 0.00 179.97 180.54 3ix4 h LYS 97 N 1.06 -0.02 -0.52 0.20 1.57 -1.99 -0.87 116.57 115.99 3ix4 h LYS 97 Ca 0.32 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.00 3ix4 h LYS 97 Cb -0.05 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3ix4 h LYS 97 CO -0.09 -0.02 -0.06 1.96 -0.57 0.00 0.00 179.45 180.67 3ix4 h GLN 98 N -0.02 0.93 -0.53 3.15 4.20 -1.75 -1.49 115.11 119.60 3ix4 h GLN 98 Ca 0.18 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 3ix4 h GLN 98 Cb 0.29 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3ix4 h GLN 98 CO -0.39 0.96 0.24 1.25 -0.67 0.00 0.00 178.83 180.22 3ix4 h HIS 99 N 0.85 0.78 -0.03 2.96 2.76 -0.43 -1.63 115.15 120.41 3ix4 h HIS 99 Ca 0.15 -0.05 -0.11 0.00 -2.20 0.00 0.00 60.37 58.16 3ix4 h HIS 99 Cb 0.58 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 3ix4 h HIS 99 CO 0.04 0.62 -0.48 0.93 -1.30 0.00 0.00 177.93 177.73 3ix4 h GLU 100 N 0.71 0.09 -0.27 5.26 4.39 -1.04 -1.51 114.58 122.21 3ix4 h GLU 100 Ca 0.18 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.88 3ix4 h GLU 100 Cb 0.15 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 3ix4 h GLU 100 CO -0.02 0.55 0.03 0.35 -1.16 0.00 0.00 179.01 178.76 3ix4 h PHE 101 N 0.07 0.04 -0.65 4.33 3.57 -0.93 -1.02 116.94 122.34 3ix4 h PHE 101 Ca 0.00 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.57 3ix4 h PHE 101 Cb 0.88 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.60 3ix4 h PHE 101 CO 0.01 -0.01 0.37 0.35 -2.23 0.00 0.00 178.31 176.79 3ix4 h PHE 102 N 0.12 0.67 -0.62 0.41 3.57 -0.67 -1.03 116.94 119.39 3ix4 h PHE 102 Ca 0.13 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 3ix4 h PHE 102 Cb 0.15 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3ix4 h PHE 102 CO -0.19 0.33 0.08 0.93 -2.23 0.00 0.00 178.31 177.24 3ix4 h GLU 103 N 0.69 1.03 -0.06 1.11 4.39 -0.86 -0.27 114.58 120.59 3ix4 h GLU 103 Ca 0.28 -0.27 -0.22 0.00 0.34 0.00 0.00 59.36 59.49 3ix4 h GLU 103 Cb 0.15 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3ix4 h GLU 103 CO -0.17 0.96 -0.87 0.93 -1.16 0.00 0.00 179.01 178.71 3ix4 h GLU 104 N 0.96 0.58 -0.71 2.33 5.08 -0.94 -1.52 114.58 120.37 3ix4 h GLU 104 Ca 0.19 -0.54 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 3ix4 h GLU 104 Cb 0.45 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 3ix4 h GLU 104 CO 0.01 1.16 0.42 0.00 -1.00 0.00 0.00 179.01 179.60 3ix4 h ALA 105 N 0.66 0.90 -0.64 3.43 0.00 -1.05 -2.51 119.26 120.06 3ix4 h ALA 105 Ca -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3ix4 h ALA 105 Cb 1.49 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3ix4 h ALA 105 CO 0.16 0.39 0.36 0.77 0.00 0.00 0.00 179.25 180.94 3ix4 h SER 106 N 0.97 0.80 -0.22 0.00 0.02 -0.92 -1.02 113.55 113.18 3ix4 h SER 106 Ca 0.25 -0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.17 3ix4 h SER 106 Cb -0.01 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3ix4 h SER 106 CO -0.05 0.65 0.15 0.00 -1.14 0.00 0.00 176.83 176.45 3ix4 h ALA 107 N 1.18 2.13 -0.00 3.77 0.00 -1.05 0.14 119.26 125.42 3ix4 h ALA 107 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ix4 h ALA 107 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3ix4 h ALA 107 CO -0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 179.25 179.03 3ix4 n ALA 108 N -2.56 2.62 -0.13 0.00 0.00 -0.61 -4.88 120.51 114.95 3ix4 n ALA 108 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3ix4 n ALA 108 Cb 0.25 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 1.10 0.71 3.19 0.00 0.00 0.50 -4.85 105.19 105.84 3ix4 n GLY 109 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 5.86 -0.14 0.99 1.43 -0.49 -4.81 118.68 121.52 3ix4 s LEU 110 Ca 0.00 -3.45 -0.01 0.00 -1.03 0.00 0.00 54.13 49.63 3ix4 s LEU 110 Cb 0.00 -2.02 -0.09 0.00 0.03 0.00 0.00 46.19 44.12 3ix4 s LEU 110 CO 0.00 -0.28 -0.15 0.55 0.23 0.00 0.00 176.35 176.70 3ix4 n VAL 111 N 2.78 0.82 -4.67 -1.59 3.14 -1.26 -3.13 118.33 114.42 3ix4 n VAL 111 Ca 0.19 -0.28 -0.33 0.00 -2.96 0.00 0.00 64.34 60.96 3ix4 n VAL 111 Cb 0.39 -1.20 -0.12 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 -2.28 2.88 -3.62 1.45 1.51 -1.26 -4.92 117.35 111.11 3ix4 s TYR 112 Ca -0.20 -0.20 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 3ix4 s TYR 112 Cb 0.06 -1.76 0.00 0.00 -0.11 0.00 0.00 41.96 40.14 3ix4 s TYR 112 CO 0.31 0.13 0.00 0.41 -1.11 0.00 0.00 175.55 175.29 3ix4 n GLY 113 N 2.73 -0.52 3.40 0.71 0.00 -1.26 -0.80 105.19 109.44 3ix4 n GLY 113 Ca -0.18 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 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 0.16 -0.11 0.99 2.34 -0.57 -1.02 118.68 120.47 3ix4 s LEU 114 Ca 0.00 -0.33 0.02 0.00 0.06 0.00 0.00 54.13 53.88 3ix4 s LEU 114 Cb 0.00 2.04 0.01 0.00 -0.56 0.00 0.00 46.19 47.68 3ix4 s LEU 114 CO 0.00 -0.93 -0.16 -0.89 -1.06 0.00 0.00 176.35 173.30 3ix4 s THR 115 N -3.82 1.57 -0.34 5.48 2.01 -0.48 -1.30 115.64 118.76 3ix4 s THR 115 Ca 0.05 -0.69 -0.13 0.00 0.31 0.00 0.00 61.69 61.23 3ix4 s THR 115 Cb 0.01 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 3ix4 s THR 115 CO -0.09 0.45 0.24 -0.04 -0.69 0.00 0.00 174.62 174.49 3ix4 s MET 116 N 0.92 3.54 0.54 4.92 1.00 0.37 -1.34 119.30 129.24 3ix4 s MET 116 Ca -0.08 -0.61 -0.22 0.00 0.00 0.00 0.00 55.69 54.79 3ix4 s MET 116 Cb -0.15 -3.80 -0.05 0.00 0.00 0.00 0.00 34.83 30.83 3ix4 s MET 116 CO -0.01 -0.42 1.34 -2.14 0.00 0.00 0.00 175.02 173.79 3ix4 s PRO 117 N 1.74 3.20 -0.14 2.03 0.02 -1.26 -0.78 135.00 139.80 3ix4 s PRO 117 Ca 0.06 2.19 0.01 0.00 0.02 0.00 0.00 61.00 63.28 3ix4 s PRO 117 Cb -0.17 -2.27 -0.00 0.00 0.02 0.00 0.00 34.50 32.08 3ix4 s PRO 117 CO 0.11 -1.13 -0.17 -0.51 -0.33 0.00 0.00 177.00 174.97 3ix4 s LEU 118 N -3.48 2.38 -0.24 -5.54 1.43 0.13 -4.83 118.68 108.53 3ix4 s LEU 118 Ca 0.71 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3ix4 s LEU 118 Cb -0.39 -1.53 0.07 0.00 0.03 0.00 0.00 46.19 44.37 3ix4 s LEU 118 CO 0.46 0.10 0.02 -1.00 0.23 0.00 0.00 176.35 176.16 3ix4 s HIS 119 N 0.72 1.85 0.69 0.29 3.76 -1.26 -0.60 115.29 120.74 3ix4 s HIS 119 Ca -0.08 -1.51 -0.10 0.00 -0.15 0.00 0.00 55.06 53.22 3ix4 s HIS 119 Cb -0.16 -1.49 0.01 0.00 1.11 0.00 0.00 32.58 32.06 3ix4 s HIS 119 CO 0.01 -0.75 1.06 0.20 -0.85 0.00 0.00 174.74 174.41 3ix4 s GLY 120 N 1.57 1.62 0.56 -2.22 0.00 -0.04 -4.93 107.32 103.88 3ix4 s GLY 120 Ca 0.00 -0.41 0.30 0.00 0.00 0.00 0.00 44.72 44.62 3ix4 s GLY 120 CO -0.11 -0.05 2.15 0.00 0.00 0.00 0.00 173.10 175.08 3ix4 h ALA 121 N -0.57 1.29 -0.41 3.20 0.00 -1.98 -2.13 119.26 118.66 3ix4 h ALA 121 Ca -0.45 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 3ix4 h ALA 121 Cb 1.25 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 3ix4 h ALA 121 CO 0.63 0.09 0.05 0.54 0.00 0.00 0.00 179.25 180.56 3ix4 n ARG 122 N -3.60 2.51 -0.64 0.00 1.74 -1.26 -4.93 116.66 110.48 3ix4 n ARG 122 Ca -0.02 -3.03 0.00 0.00 -0.77 0.00 0.00 57.85 54.03 3ix4 n ARG 122 Cb 0.19 -1.90 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 3ix4 n ARG 122 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ix4 n GLY 123 N -0.78 0.78 3.72 -0.13 0.00 -0.80 -4.45 105.19 103.53 3ix4 n GLY 123 Ca 0.32 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.19 1.62 -4.53 1.61 4.71 -1.25 -3.70 120.64 116.90 3ix4 n GLU 124 Ca 0.00 0.59 -0.26 0.00 -0.01 0.00 0.00 57.16 57.49 3ix4 n GLU 124 Cb 0.00 -2.50 -0.17 0.00 -1.01 0.00 0.00 31.44 27.77 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 -3.03 1.63 0.00 -4.62 2.96 -0.39 -0.86 118.68 114.37 3ix4 s LEU 125 Ca 0.71 -0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.29 3ix4 s LEU 125 Cb -0.43 -0.90 0.00 0.00 0.50 0.00 0.00 46.19 45.36 3ix4 s LEU 125 CO 0.50 0.02 0.00 0.61 -1.32 0.00 0.00 176.35 176.16 3ix4 n GLY 126 N 3.98 2.54 3.29 7.98 0.00 0.23 0.08 105.19 123.28 3ix4 n GLY 126 Ca -0.21 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.20 -0.98 -0.30 4.61 0.00 -0.41 -0.69 121.76 122.80 3ix4 s ALA 127 Ca 0.00 1.05 -0.05 0.00 0.00 0.00 0.00 51.96 52.96 3ix4 s ALA 127 Cb 0.00 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.58 3ix4 s ALA 127 CO 0.00 -0.20 0.05 -1.17 0.00 0.00 0.00 175.76 174.44 3ix4 s LEU 128 N 0.05 3.92 -0.13 0.00 2.96 0.04 -1.22 118.68 124.30 3ix4 s LEU 128 Ca -0.01 -1.01 -0.05 0.00 -0.22 0.00 0.00 54.13 52.84 3ix4 s LEU 128 Cb -0.03 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 3ix4 s LEU 128 CO 0.01 -0.25 0.05 -0.44 -1.32 0.00 0.00 176.35 174.41 3ix4 s SER 129 N 1.38 5.61 -0.03 3.68 0.01 0.36 -0.48 113.70 124.23 3ix4 s SER 129 Ca -0.01 0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.45 3ix4 s SER 129 Cb -0.18 -1.77 0.02 0.00 0.21 0.00 0.00 66.02 64.29 3ix4 s SER 129 CO 0.01 0.32 -0.04 -0.76 0.41 0.00 0.00 173.24 173.18 3ix4 s LEU 130 N -0.50 1.42 0.04 2.44 1.02 -0.42 -0.97 118.68 121.71 3ix4 s LEU 130 Ca 0.10 -0.10 0.03 0.00 0.02 0.00 0.00 54.13 54.18 3ix4 s LEU 130 Cb -0.12 -0.37 -0.04 0.00 0.02 0.00 0.00 46.19 45.69 3ix4 s LEU 130 CO 0.02 -0.04 -0.01 -0.55 0.02 0.00 0.00 176.35 175.79 3ix4 s SER 131 N 0.74 5.00 -0.07 2.29 0.15 -0.11 -1.51 113.70 120.19 3ix4 s SER 131 Ca -0.09 -0.10 0.05 0.00 0.70 0.00 0.00 55.95 56.51 3ix4 s SER 131 Cb -0.12 -1.24 -0.01 0.00 -1.71 0.00 0.00 66.02 62.94 3ix4 s SER 131 CO -0.00 0.24 -0.24 0.54 1.20 0.00 0.00 173.24 174.98 3ix4 s VAL 132 N -1.16 1.98 -0.43 4.45 0.11 0.02 -2.49 120.40 122.88 3ix4 s VAL 132 Ca 0.22 -1.01 -0.29 0.00 -2.93 0.00 0.00 61.98 57.97 3ix4 s VAL 132 Cb -0.12 -1.69 0.02 0.00 -1.53 0.00 0.00 36.38 33.07 3ix4 s VAL 132 CO 0.13 0.55 1.15 -1.61 -3.33 0.00 0.00 175.10 171.99 3ix4 s GLU 133 N 0.02 3.80 0.09 1.54 2.02 -1.26 -4.31 118.70 120.60 3ix4 s GLU 133 Ca -0.08 0.75 0.03 0.00 0.02 0.00 0.00 54.97 55.68 3ix4 s GLU 133 Cb -0.15 -3.87 -0.04 0.00 0.10 0.00 0.00 34.13 30.17 3ix4 s GLU 133 CO 0.05 -1.27 -0.09 0.00 0.02 0.00 0.00 175.26 173.97 3ix4 s ALA 134 N 4.34 1.01 0.26 5.21 0.00 -1.26 -5.03 121.76 126.29 3ix4 s ALA 134 Ca 0.49 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 51.28 3ix4 s ALA 134 Cb -0.09 0.07 0.34 0.00 0.00 0.00 0.00 23.12 23.44 3ix4 s ALA 134 CO 0.28 -0.09 1.66 0.93 0.00 0.00 0.00 175.76 178.54 3ix4 h GLU 135 N 3.50 0.45 -3.07 0.00 4.39 -1.95 -3.47 114.58 114.43 3ix4 h GLU 135 Ca -0.36 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.15 3ix4 h GLU 135 Cb 1.18 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 3ix4 h GLU 135 CO 0.55 0.75 0.22 0.54 -1.16 0.00 0.00 179.01 179.90 3ix4 s ASN 136 N -6.85 -0.10 0.15 1.42 4.22 -1.26 -5.06 114.94 107.46 3ix4 s ASN 136 Ca -0.06 -0.89 -0.17 0.00 -2.14 0.00 0.00 52.86 49.60 3ix4 s ASN 136 Cb 0.13 0.78 0.02 0.00 1.28 0.00 0.00 41.25 43.46 3ix4 s ASN 136 CO 0.80 -1.49 1.79 -0.09 -2.04 0.00 0.00 177.10 176.07 3ix4 h ARG 137 N 2.02 0.41 -0.75 3.55 2.43 -1.99 -0.86 114.38 119.18 3ix4 h ARG 137 Ca -0.25 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 58.93 3ix4 h ARG 137 Cb 1.25 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.66 3ix4 h ARG 137 CO 0.32 0.27 0.47 0.00 -1.51 0.00 0.00 179.97 179.51 3ix4 h ALA 138 N 1.16 1.00 -0.38 2.80 0.00 -1.99 0.88 119.26 122.74 3ix4 h ALA 138 Ca 0.14 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3ix4 h ALA 138 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ix4 h ALA 138 CO -0.07 0.24 -0.01 1.49 0.00 0.00 0.00 179.25 180.89 3ix4 h GLU 139 N 0.89 0.68 -0.33 0.00 4.81 -1.92 -1.40 114.58 117.32 3ix4 h GLU 139 Ca 0.31 -0.22 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3ix4 h GLU 139 Cb 0.07 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 3ix4 h GLU 139 CO -0.13 0.78 0.06 0.00 -0.73 0.00 0.00 179.01 178.99 3ix4 h ALA 140 N 0.87 0.34 -0.33 2.92 0.00 -0.52 -1.12 119.26 121.42 3ix4 h ALA 140 Ca 0.11 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3ix4 h ALA 140 Cb 0.48 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3ix4 h ALA 140 CO 0.02 -0.35 -0.19 -0.91 0.00 0.00 0.00 179.25 177.82 3ix4 h ASN 141 N 0.17 0.60 -0.05 0.00 2.35 -0.75 -0.84 115.58 117.07 3ix4 h ASN 141 Ca 0.15 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3ix4 h ASN 141 Cb 0.17 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 3ix4 h ASN 141 CO -0.21 0.80 0.01 -0.09 -1.65 0.00 0.00 177.43 176.29 3ix4 h ARG 142 N 0.54 0.07 -0.22 0.81 2.43 -0.98 -1.51 114.38 115.53 3ix4 h ARG 142 Ca 0.09 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 3ix4 h ARG 142 Cb 0.63 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 3ix4 h ARG 142 CO 0.04 0.27 -0.10 0.35 -1.51 0.00 0.00 179.97 179.03 3ix4 h PHE 143 N -0.13 -0.23 -0.85 2.20 3.57 -1.03 -2.38 116.94 118.09 3ix4 h PHE 143 Ca 0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3ix4 h PHE 143 Cb 0.23 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 3ix4 h PHE 143 CO 0.00 -0.15 0.47 0.52 -2.23 0.00 0.00 178.31 176.92 3ix4 h MET 144 N -0.07 1.17 -0.91 1.11 2.86 -1.06 -1.22 114.93 116.81 3ix4 h MET 144 Ca 0.12 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3ix4 h MET 144 Cb 0.24 -0.23 -0.05 0.00 0.06 0.00 0.00 31.60 31.62 3ix4 h MET 144 CO -0.26 0.85 0.61 1.49 1.06 0.00 0.00 176.91 180.65 3ix4 h GLU 145 N 1.18 1.20 0.00 1.72 4.81 -1.01 -0.55 114.58 121.93 3ix4 h GLU 145 Ca 0.30 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 3ix4 h GLU 145 Cb 0.02 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 3ix4 h GLU 145 CO -0.05 0.79 -0.20 0.66 -0.73 0.00 0.00 179.01 179.49 3ix4 h SER 146 N 1.24 0.00 -0.01 1.04 4.64 -0.71 -3.12 113.55 116.62 3ix4 h SER 146 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3ix4 h SER 146 Cb -0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3ix4 h SER 146 CO -0.07 0.20 -0.14 1.33 -0.87 0.00 0.00 176.83 177.27 3ix4 n VAL 147 N -3.54 0.00 -0.26 0.95 0.24 -1.03 -4.80 118.33 109.89 3ix4 n VAL 147 Ca -0.01 -0.43 0.03 0.00 -2.04 0.00 0.00 64.34 61.89 3ix4 n VAL 147 Cb 0.35 1.13 0.17 0.00 -1.47 0.00 0.00 33.84 34.01 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 1.20 0.46 -1.10 1.34 5.85 -1.04 -0.80 115.31 121.22 3ix4 h LEU 148 Ca 0.00 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3ix4 h LEU 148 Cb 0.33 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3ix4 h LEU 148 CO 0.00 0.24 0.08 -0.65 -0.34 0.00 0.00 178.44 177.77 3ix4 h PRO 149 N 0.59 0.72 -0.27 5.25 0.11 -1.87 0.22 132.00 136.76 3ix4 h PRO 149 Ca 0.39 -0.15 -0.07 0.00 0.11 0.00 0.00 66.00 66.28 3ix4 h PRO 149 Cb 0.47 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 3ix4 h PRO 149 CO -0.31 0.68 -0.09 1.15 -0.21 0.00 0.00 178.00 179.22 3ix4 h THR 150 N 0.69 1.29 -0.47 -1.15 2.02 -1.70 -2.92 112.91 110.66 3ix4 h THR 150 Ca 0.15 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.20 3ix4 h THR 150 Cb 0.31 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3ix4 h THR 150 CO 0.00 0.36 0.30 0.25 0.37 0.00 0.00 175.52 176.80 3ix4 h LEU 151 N 0.28 0.55 -0.80 2.58 6.46 -0.92 -0.98 115.31 122.48 3ix4 h LEU 151 Ca 0.07 -0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.71 3ix4 h LEU 151 Cb 0.57 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 3ix4 h LEU 151 CO 0.03 0.41 -0.17 -0.25 -0.62 0.00 0.00 178.44 177.84 3ix4 h TRP 152 N 0.65 0.80 -0.11 1.25 2.91 -0.78 -1.03 115.95 119.63 3ix4 h TRP 152 Ca 0.17 -0.16 -0.08 0.00 1.13 0.00 0.00 58.89 59.95 3ix4 h TRP 152 Cb -0.06 -0.20 0.00 0.00 -0.51 0.00 0.00 29.16 28.39 3ix4 h TRP 152 CO 0.00 0.84 -0.23 0.52 -1.03 0.00 0.00 178.44 178.54 3ix4 h MET 153 N 0.64 0.36 -0.59 2.65 2.86 -1.29 -3.32 114.93 116.23 3ix4 h MET 153 Ca 0.10 -0.23 0.12 0.00 -2.06 0.00 0.00 59.70 57.63 3ix4 h MET 153 Cb 0.65 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 32.24 3ix4 h MET 153 CO 0.05 0.83 -0.03 1.25 1.06 0.00 0.00 176.91 180.06 3ix4 h LEU 154 N -0.07 -0.32 -1.36 1.22 5.85 -0.79 -2.07 115.31 117.76 3ix4 h LEU 154 Ca 0.00 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3ix4 h LEU 154 Cb 0.82 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 3ix4 h LEU 154 CO 0.05 -0.13 0.45 0.07 -0.34 0.00 0.00 178.44 178.54 3ix4 h LYS 155 N 0.09 0.83 -0.12 1.25 5.09 -1.30 0.13 116.57 122.55 3ix4 h LYS 155 Ca 0.30 -0.05 -0.20 0.00 0.09 0.00 0.00 60.65 60.80 3ix4 h LYS 155 Cb 0.48 -0.19 0.01 0.00 0.10 0.00 0.00 32.23 32.63 3ix4 h LYS 155 CO -0.53 0.55 -0.70 -0.44 -2.09 0.00 0.00 179.45 176.25 3ix4 h ASP 156 N 0.86 0.82 -0.57 7.07 3.32 -1.52 -0.83 116.42 125.57 3ix4 h ASP 156 Ca 0.26 -0.65 0.04 0.00 0.02 0.00 0.00 57.03 56.70 3ix4 h ASP 156 Cb -0.02 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 3ix4 h ASP 156 CO -0.06 1.34 0.32 1.88 -1.72 0.00 0.00 179.24 180.99 3ix4 h TYR 157 N 0.36 0.59 -0.46 4.55 0.99 -0.89 0.64 116.97 122.73 3ix4 h TYR 157 Ca -0.05 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.67 3ix4 h TYR 157 Cb 1.34 -0.18 -0.02 0.00 1.00 0.00 0.00 36.73 38.87 3ix4 h TYR 157 CO 0.10 0.30 0.20 0.00 -0.00 0.00 0.00 178.16 178.76 3ix4 h ALA 158 N 1.29 0.60 -0.14 3.88 0.00 -0.72 -1.79 119.26 122.38 3ix4 h ALA 158 Ca 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ix4 h ALA 158 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ix4 h ALA 158 CO -0.15 0.20 0.08 1.25 0.00 0.00 0.00 179.25 180.63 3ix4 h LEU 159 N 0.61 0.16 -0.37 0.00 5.85 -0.94 0.32 115.31 120.94 3ix4 h LEU 159 Ca 0.16 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3ix4 h LEU 159 Cb 0.17 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3ix4 h LEU 159 CO -0.02 0.16 0.22 -0.61 -0.34 0.00 0.00 178.44 177.86 3ix4 h GLN 160 N 0.15 0.50 -0.09 1.25 5.75 -0.66 -0.68 115.11 121.34 3ix4 h GLN 160 Ca 0.05 -0.05 -0.13 0.00 -0.15 0.00 0.00 58.65 58.37 3ix4 h GLN 160 Cb 0.03 -0.10 0.01 0.00 1.07 0.00 0.00 27.48 28.48 3ix4 h GLN 160 CO -0.01 0.38 -0.45 1.03 -2.65 0.00 0.00 178.83 177.12 3ix4 h SER 161 N 0.48 0.55 -0.75 -0.69 0.87 -1.32 -3.28 113.55 109.40 3ix4 h SER 161 Ca 0.13 -0.65 0.07 0.00 -1.23 0.00 0.00 61.79 60.11 3ix4 h SER 161 Cb 0.01 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 61.76 3ix4 h SER 161 CO -0.02 1.11 0.49 1.23 -0.53 0.00 0.00 176.83 179.11 3ix4 h GLY 162 N 0.02 1.01 1.87 5.77 0.00 -0.20 -1.10 103.07 110.44 3ix4 h GLY 162 Ca -0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 3ix4 h GLY 162 CO 0.09 0.23 -0.11 0.00 0.00 0.00 0.00 176.54 176.75 3ix4 h ALA 163 N 1.59 1.62 0.00 3.60 0.00 -1.18 0.13 119.26 125.02 3ix4 h ALA 163 Ca 0.33 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3ix4 h ALA 163 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ix4 h ALA 163 CO -0.11 0.28 -0.34 0.78 0.00 0.00 0.00 179.25 179.86 3ix4 h GLY 164 N 0.61 0.00 0.48 0.00 0.00 -1.29 -2.65 103.07 100.23 3ix4 h GLY 164 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.11 3ix4 h GLY 164 CO 0.02 0.00 -1.32 -2.00 0.00 0.00 0.00 176.54 173.24 3ix4 h LEU 165 N 0.00 0.33 -0.60 3.11 5.85 -1.02 -3.38 115.31 119.60 3ix4 h LEU 165 Ca -0.00 -0.83 -0.11 0.00 0.84 0.00 0.00 57.88 57.77 3ix4 h LEU 165 Cb 1.06 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3ix4 h LEU 165 CO 0.04 1.57 -0.07 0.00 -0.34 0.00 0.00 178.44 179.64 3ix4 h ALA 166 N -0.08 0.81 -3.00 1.25 0.00 -0.88 -3.47 119.26 113.89 3ix4 h ALA 166 Ca -0.29 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3ix4 h ALA 166 Cb 1.68 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3ix4 h ALA 166 CO 0.03 0.67 0.00 1.19 0.00 0.00 0.00 179.25 181.14 3ix4 n PHE 167 N -4.15 0.00 -0.14 0.00 3.01 -1.00 -5.07 117.46 110.10 3ix4 n PHE 167 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 3ix4 n PHE 167 Cb 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 3ix4 n PHE 167 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86