#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ix4 h ASP 5 N 0.00 0.00 0.00 -1.34 3.32 -2.05 -0.62 116.42 115.73 3ix4 h ASP 5 Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 3ix4 h ASP 5 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3ix4 h ASP 5 CO 0.00 0.00 -1.56 0.61 -1.72 0.00 0.00 179.24 176.57 3ix4 n GLY 6 N -1.26 -0.33 0.00 2.75 0.00 -1.26 -2.32 105.19 102.77 3ix4 n GLY 6 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.43 0.00 -0.26 1.61 -0.00 -1.26 -1.35 117.46 113.77 3ix4 n PHE 7 Ca -0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.27 3ix4 n PHE 7 Cb 0.74 0.00 0.12 0.00 -0.00 0.00 0.00 39.48 40.35 3ix4 n PHE 7 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3ix4 h LEU 8 N 0.00 1.01 -0.38 -2.13 3.38 -1.10 -0.07 115.31 116.01 3ix4 h LEU 8 Ca 0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3ix4 h LEU 8 Cb 0.00 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3ix4 h LEU 8 CO 0.00 0.86 0.23 -0.33 0.09 0.00 0.00 178.44 179.29 3ix4 h GLU 9 N 1.10 0.53 -0.54 1.13 5.08 -1.44 -1.48 114.58 118.97 3ix4 h GLU 9 Ca 0.26 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.64 3ix4 h GLU 9 Cb 0.13 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 3ix4 h GLU 9 CO -0.03 0.40 0.22 -0.07 -1.00 0.00 0.00 179.01 178.53 3ix4 h LEU 10 N 0.50 0.26 0.00 1.33 3.38 -0.60 -1.86 115.31 118.32 3ix4 h LEU 10 Ca 0.14 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3ix4 h LEU 10 Cb 0.02 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3ix4 h LEU 10 CO -0.02 0.17 0.00 -0.62 0.09 0.00 0.00 178.44 178.06 3ix4 n GLU 11 N -4.96 0.76 -0.07 1.13 -0.58 -0.10 -2.32 120.64 114.50 3ix4 n GLU 11 Ca 0.06 0.01 0.02 0.00 -0.42 0.00 0.00 57.16 56.83 3ix4 n GLU 11 Cb 0.20 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.63 3ix4 n GLU 11 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3ix4 n ARG 12 N -1.09 2.95 -2.72 3.49 1.74 -0.59 -5.04 116.66 115.39 3ix4 n ARG 12 Ca 0.19 -1.71 -0.26 0.00 -0.77 0.00 0.00 57.85 55.30 3ix4 n ARG 12 Cb 0.14 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 3ix4 n ARG 12 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3ix4 s SER 13 N -1.01 6.13 -0.06 0.55 1.04 -0.76 -5.04 113.70 114.55 3ix4 s SER 13 Ca 0.09 0.78 0.01 0.00 0.48 0.00 0.00 55.95 57.31 3ix4 s SER 13 Cb 0.05 -2.08 0.02 0.00 0.10 0.00 0.00 66.02 64.11 3ix4 s SER 13 CO 0.06 -0.63 -0.07 -0.94 0.98 0.00 0.00 173.24 172.64 3ix4 s SER 14 N -4.14 1.34 0.00 7.02 1.04 -1.26 -4.99 113.70 112.70 3ix4 s SER 14 Ca 0.47 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.71 3ix4 s SER 14 Cb -0.10 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.41 3ix4 s SER 14 CO 0.43 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 175.23 3ix4 n GLY 15 N 4.06 -1.17 0.24 7.32 0.00 -1.26 -4.40 105.19 109.98 3ix4 n GLY 15 Ca -0.23 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 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 0.72 0.06 1.61 3.64 -1.98 -3.03 116.57 117.59 3ix4 h LYS 16 Ca 0.00 -0.38 0.01 0.00 -1.27 0.00 0.00 60.65 59.01 3ix4 h LYS 16 Cb 0.00 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3ix4 h LYS 16 CO 0.00 1.00 -0.08 1.25 -2.27 0.00 0.00 179.45 179.34 3ix4 h LEU 17 N 0.59 -0.22 -0.40 5.20 7.12 -1.99 0.03 115.31 125.64 3ix4 h LEU 17 Ca 0.05 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.08 3ix4 h LEU 17 Cb 0.95 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 41.14 3ix4 h LEU 17 CO 0.09 -0.12 0.23 -0.08 -0.13 0.00 0.00 178.44 178.43 3ix4 h GLU 18 N -0.17 0.55 -0.32 1.25 4.81 -1.77 -0.37 114.58 118.56 3ix4 h GLU 18 Ca 0.01 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3ix4 h GLU 18 Cb 0.18 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 3ix4 h GLU 18 CO -0.04 0.42 0.11 2.35 -0.73 0.00 0.00 179.01 181.13 3ix4 h TRP 19 N 0.52 0.20 -0.74 0.92 7.01 -1.39 -1.42 115.95 121.06 3ix4 h TRP 19 Ca 0.14 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.18 3ix4 h TRP 19 Cb 0.02 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.00 3ix4 h TRP 19 CO -0.03 0.09 0.48 0.77 -2.79 0.00 0.00 178.44 176.95 3ix4 h SER 20 N 0.25 0.81 -0.52 2.65 0.02 -0.68 -1.38 113.55 114.70 3ix4 h SER 20 Ca 0.14 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3ix4 h SER 20 Cb 0.12 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 3ix4 h SER 20 CO -0.15 0.57 0.34 0.00 -1.14 0.00 0.00 176.83 176.45 3ix4 h ALA 21 N 1.29 0.66 0.02 3.77 0.00 -0.60 -0.09 119.26 124.31 3ix4 h ALA 21 Ca 0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ix4 h ALA 21 Cb -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3ix4 h ALA 21 CO -0.09 0.09 -0.01 0.82 0.00 0.00 0.00 179.25 180.07 3ix4 h ILE 22 N 0.70 1.18 -0.62 0.00 2.04 -1.01 -1.62 117.51 118.17 3ix4 h ILE 22 Ca 0.19 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3ix4 h ILE 22 Cb -0.08 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 3ix4 h ILE 22 CO -0.04 0.15 0.40 0.25 0.00 0.00 0.00 178.15 178.91 3ix4 h LEU 23 N -0.28 0.72 -0.83 1.44 5.85 -1.17 -1.02 115.31 120.02 3ix4 h LEU 23 Ca -0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3ix4 h LEU 23 Cb 0.27 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3ix4 h LEU 23 CO 0.00 0.54 0.54 1.56 -0.34 0.00 0.00 178.44 180.74 3ix4 h GLN 24 N 0.84 1.10 -0.25 1.25 4.20 -0.94 -1.79 115.11 119.53 3ix4 h GLN 24 Ca 0.23 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.73 3ix4 h GLN 24 Cb -0.08 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.45 3ix4 h GLN 24 CO -0.05 0.74 -0.40 -0.22 -0.67 0.00 0.00 178.83 178.24 3ix4 h LYS 25 N 1.13 0.57 -0.41 1.46 3.64 -0.96 -1.57 116.57 120.44 3ix4 h LYS 25 Ca 0.30 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3ix4 h LYS 25 Cb -0.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3ix4 h LYS 25 CO -0.06 0.87 0.26 0.52 -2.27 0.00 0.00 179.45 178.77 3ix4 h MET 26 N 0.47 0.55 -0.45 1.90 2.86 -0.75 0.81 114.93 120.32 3ix4 h MET 26 Ca 0.04 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3ix4 h MET 26 Cb 0.90 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 3ix4 h MET 26 CO 0.08 0.39 0.12 0.00 1.06 0.00 0.00 176.91 178.57 3ix4 h ALA 27 N 1.12 0.59 -0.05 6.32 0.00 -1.19 -1.94 119.26 124.11 3ix4 h ALA 27 Ca 0.15 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 3ix4 h ALA 27 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3ix4 h ALA 27 CO -0.03 0.25 -0.75 0.66 0.00 0.00 0.00 179.25 179.38 3ix4 h SER 28 N 0.59 0.40 -0.60 0.00 4.64 -1.17 -1.34 113.55 116.06 3ix4 h SER 28 Ca 0.14 -0.27 0.03 0.00 -0.47 0.00 0.00 61.79 61.23 3ix4 h SER 28 Cb 0.29 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 3ix4 h SER 28 CO -0.00 1.01 0.40 0.44 -0.87 0.00 0.00 176.83 177.81 3ix4 h ASP 29 N 0.22 0.60 1.41 4.97 3.32 -0.77 -1.83 116.42 124.34 3ix4 h ASP 29 Ca -0.03 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3ix4 h ASP 29 Cb 1.32 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 3ix4 h ASP 29 CO 0.12 0.41 -0.06 0.25 -1.72 0.00 0.00 179.24 178.25 3ix4 h LEU 30 N 0.70 0.00 0.00 1.55 5.85 -0.98 -3.47 115.31 118.96 3ix4 h LEU 30 Ca 0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3ix4 h LEU 30 Cb 0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3ix4 h LEU 30 CO -0.07 0.06 0.00 0.61 -0.34 0.00 0.00 178.44 178.70 3ix4 n GLY 31 N 0.52 1.18 3.90 3.75 0.00 -0.69 -5.01 105.19 108.85 3ix4 n GLY 31 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.08 1.61 0.40 -0.56 -4.75 117.98 115.91 3ix4 s PHE 32 Ca 0.00 0.80 -0.09 0.00 -0.60 0.00 0.00 56.93 57.04 3ix4 s PHE 32 Cb 0.00 -2.82 -0.03 0.00 0.51 0.00 0.00 43.02 40.67 3ix4 s PHE 32 CO 0.00 -0.91 -0.18 -1.13 0.70 0.00 0.00 175.22 173.70 3ix4 n SER 33 N -2.71 1.18 -4.51 1.36 3.41 -0.09 -3.89 113.62 108.36 3ix4 n SER 33 Ca 0.05 0.19 -0.30 0.00 -0.26 0.00 0.00 58.87 58.55 3ix4 n SER 33 Cb 0.57 -0.57 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 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 -2.14 2.07 0.06 4.33 -0.14 -1.24 -4.83 119.74 117.85 3ix4 s LYS 34 Ca -0.15 -1.01 0.03 0.00 -1.36 0.00 0.00 55.97 53.48 3ix4 s LYS 34 Cb 0.02 -2.23 -0.03 0.00 -1.68 0.00 0.00 37.83 33.91 3ix4 s LYS 34 CO 0.23 0.52 -0.09 0.96 -0.76 0.00 0.00 175.35 176.21 3ix4 s ILE 35 N -1.05 0.75 -0.07 2.17 -4.36 -1.26 -0.82 121.20 116.56 3ix4 s ILE 35 Ca 0.17 -1.30 -0.01 0.00 -0.26 0.00 0.00 60.65 59.25 3ix4 s ILE 35 Cb -0.11 -0.93 0.03 0.00 1.25 0.00 0.00 42.46 42.70 3ix4 s ILE 35 CO 0.09 -0.42 0.00 -0.22 0.24 0.00 0.00 174.94 174.63 3ix4 s LEU 36 N -1.89 0.58 -0.29 0.37 0.20 -0.40 -1.96 118.68 115.29 3ix4 s LEU 36 Ca -0.04 -0.07 -0.08 0.00 0.69 0.00 0.00 54.13 54.63 3ix4 s LEU 36 Cb -0.07 -0.42 -0.01 0.00 -0.43 0.00 0.00 46.19 45.26 3ix4 s LEU 36 CO 0.00 -0.19 0.09 0.12 -0.29 0.00 0.00 176.35 176.08 3ix4 s PHE 37 N 1.96 3.13 -0.02 5.38 5.36 0.89 -1.02 117.98 133.65 3ix4 s PHE 37 Ca 0.05 -0.73 0.07 0.00 -0.96 0.00 0.00 56.93 55.36 3ix4 s PHE 37 Cb -0.12 -2.27 -0.02 0.00 -0.34 0.00 0.00 43.02 40.27 3ix4 s PHE 37 CO -0.05 -0.49 -0.24 0.20 -1.46 0.00 0.00 175.22 173.18 3ix4 s GLY 38 N 1.56 1.17 -0.10 13.12 0.00 -0.11 -0.15 107.32 122.80 3ix4 s GLY 38 Ca 0.04 -1.02 -0.06 0.00 0.00 0.00 0.00 44.72 43.68 3ix4 s GLY 38 CO 0.04 -0.82 0.25 -2.27 0.00 0.00 0.00 173.10 170.29 3ix4 s LEU 39 N -0.51 0.62 0.17 0.66 2.96 0.35 -0.95 118.68 121.98 3ix4 s LEU 39 Ca 0.08 0.52 0.10 0.00 -0.22 0.00 0.00 54.13 54.61 3ix4 s LEU 39 Cb -0.10 0.79 -0.04 0.00 0.50 0.00 0.00 46.19 47.34 3ix4 s LEU 39 CO -0.00 -0.14 -0.19 -0.76 -1.32 0.00 0.00 176.35 173.93 3ix4 s LEU 40 N 0.88 2.61 0.81 -0.68 1.43 0.66 -0.80 118.68 123.60 3ix4 s LEU 40 Ca -0.06 -0.71 -0.12 0.00 -1.03 0.00 0.00 54.13 52.21 3ix4 s LEU 40 Cb -0.07 -1.38 0.08 0.00 0.03 0.00 0.00 46.19 44.85 3ix4 s LEU 40 CO -0.06 0.14 1.13 -2.16 0.23 0.00 0.00 176.35 175.63 3ix4 s PRO 41 N -2.52 1.94 0.16 1.29 0.04 -1.26 -1.49 135.00 133.15 3ix4 s PRO 41 Ca 0.20 0.39 -0.33 0.00 0.04 0.00 0.00 61.00 61.30 3ix4 s PRO 41 Cb -0.09 -1.92 -0.16 0.00 0.04 0.00 0.00 34.50 32.37 3ix4 s PRO 41 CO 0.11 -1.67 1.12 1.17 0.04 0.00 0.00 177.00 177.77 3ix4 n LYS 42 N -3.42 1.02 -0.97 4.56 4.81 -1.24 -2.22 118.16 120.70 3ix4 n LYS 42 Ca 0.07 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 3ix4 n LYS 42 Cb 0.58 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 33.80 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 1.98 -3.47 -4.86 3.14 8.00 -1.26 -5.01 116.55 115.08 3ix4 n ASP 43 Ca 0.16 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.28 3ix4 n ASP 43 Cb 0.23 -1.58 -0.06 0.00 -0.02 0.00 0.00 41.12 39.69 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 -2.10 6.65 -0.11 -2.24 0.15 -0.94 -4.96 113.70 110.14 3ix4 s SER 44 Ca 0.00 0.78 0.17 0.00 0.70 0.00 0.00 55.95 57.59 3ix4 s SER 44 Cb 0.00 -2.18 0.25 0.00 -1.71 0.00 0.00 66.02 62.38 3ix4 s SER 44 CO 0.00 0.33 1.13 0.00 1.20 0.00 0.00 173.24 175.90 3ix4 n GLN 45 N 1.72 1.15 -1.88 5.44 6.02 -1.26 -4.89 117.38 123.67 3ix4 n GLN 45 Ca -0.15 -2.39 -0.41 0.00 -0.01 0.00 0.00 57.00 54.04 3ix4 n GLN 45 Cb 0.53 -1.38 -0.01 0.00 1.02 0.00 0.00 30.24 30.40 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 -1.27 6.12 -0.05 1.08 2.03 -1.26 -4.76 116.55 118.44 3ix4 n ASP 46 Ca 0.14 -2.93 0.09 0.00 0.52 0.00 0.00 54.79 52.61 3ix4 n ASP 46 Cb 0.64 -1.52 0.47 0.00 -0.72 0.00 0.00 41.12 39.99 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 5.42 0.48 0.00 -0.67 -1.99 -1.99 -0.85 116.97 117.37 3ix4 h TYR 47 Ca 0.61 0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.35 3ix4 h TYR 47 Cb 0.49 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 39.06 3ix4 h TYR 47 CO 1.51 0.26 0.00 0.39 -0.00 0.00 0.00 178.16 180.32 3ix4 n GLU 48 N -4.47 0.16 -0.45 4.88 1.02 -1.26 -2.48 120.64 118.03 3ix4 n GLU 48 Ca 0.07 0.42 0.07 0.00 -0.02 0.00 0.00 57.16 57.70 3ix4 n GLU 48 Cb 0.24 -1.82 0.15 0.00 -0.02 0.00 0.00 31.44 29.99 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 -2.12 1.80 -4.73 1.62 5.03 -0.34 -5.07 115.26 111.44 3ix4 n ASN 49 Ca 0.02 -3.32 -0.31 0.00 0.87 0.00 0.00 54.58 51.84 3ix4 n ASN 49 Cb 0.20 -0.45 0.12 0.00 -1.02 0.00 0.00 39.78 38.62 3ix4 n ASN 49 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ix4 s ALA 50 N -2.64 1.96 -0.36 5.41 0.00 -1.04 -4.97 121.76 120.13 3ix4 s ALA 50 Ca 0.33 0.44 -0.29 0.00 0.00 0.00 0.00 51.96 52.44 3ix4 s ALA 50 Cb 0.31 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 20.09 3ix4 s ALA 50 CO -0.03 -2.13 1.20 0.12 0.00 0.00 0.00 175.76 174.92 3ix4 s PHE 51 N -2.72 2.84 -0.09 0.00 5.36 0.02 -4.89 117.98 118.49 3ix4 s PHE 51 Ca 0.64 0.92 0.04 0.00 -0.96 0.00 0.00 56.93 57.58 3ix4 s PHE 51 Cb -0.20 -4.00 -0.00 0.00 -0.34 0.00 0.00 43.02 38.48 3ix4 s PHE 51 CO 0.55 -1.33 -0.23 0.42 -1.46 0.00 0.00 175.22 173.17 3ix4 s ILE 52 N 4.26 2.00 -0.02 3.12 1.01 -1.26 -0.49 121.20 129.82 3ix4 s ILE 52 Ca 0.51 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 60.23 3ix4 s ILE 52 Cb -0.13 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 3ix4 s ILE 52 CO 0.24 0.55 -0.19 -0.69 0.00 0.00 0.00 174.94 174.84 3ix4 s VAL 53 N 0.30 1.52 -5.00 2.92 1.01 0.79 -4.98 120.40 116.95 3ix4 s VAL 53 Ca -0.17 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3ix4 s VAL 53 Cb -0.17 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.94 3ix4 s VAL 53 CO 0.08 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3ix4 n GLY 54 N 2.70 0.71 0.66 4.51 0.00 -1.26 -0.08 105.19 112.43 3ix4 n GLY 54 Ca -0.16 -1.79 0.06 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 1.63 1.55 -4.74 1.61 0.23 -0.83 -5.01 115.26 109.70 3ix4 n ASN 55 Ca 0.00 -3.18 -0.39 0.00 -0.53 0.00 0.00 54.58 50.47 3ix4 n ASN 55 Cb 0.00 -0.43 0.03 0.00 -2.08 0.00 0.00 39.78 37.30 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 -0.76 2.35 -1.64 -2.53 0.53 -1.24 -4.78 117.16 109.09 3ix4 n TYR 56 Ca 0.14 0.44 -0.48 0.00 -1.02 0.00 0.00 57.90 56.99 3ix4 n TYR 56 Cb 0.77 -2.39 -0.04 0.00 -1.03 0.00 0.00 39.34 36.65 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 -0.59 1.83 -0.19 -0.72 -0.02 -1.26 -4.84 135.00 129.20 3ix4 n PRO 57 Ca 0.08 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3ix4 n PRO 57 Cb 0.43 -2.37 0.10 0.00 -0.02 0.00 0.00 33.50 31.64 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 5.27 0.72 -0.44 3.55 0.00 -1.99 -0.97 119.26 125.40 3ix4 h ALA 58 Ca -0.46 0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.60 3ix4 h ALA 58 Cb 1.28 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 3ix4 h ALA 58 CO 0.84 -0.28 0.30 0.00 0.00 0.00 0.00 179.25 180.11 3ix4 h ALA 59 N 1.45 1.81 -0.13 0.00 0.00 -1.99 -0.98 119.26 119.41 3ix4 h ALA 59 Ca 0.31 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3ix4 h ALA 59 Cb 0.43 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ix4 h ALA 59 CO -0.37 0.14 -0.13 2.35 0.00 0.00 0.00 179.25 181.25 3ix4 h TRP 60 N 0.49 0.39 -0.74 0.00 2.91 -1.57 -1.57 115.95 115.86 3ix4 h TRP 60 Ca 0.18 -0.11 0.05 0.00 1.13 0.00 0.00 58.89 60.13 3ix4 h TRP 60 Cb 0.11 -0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 28.62 3ix4 h TRP 60 CO -0.00 0.72 0.45 0.00 -1.03 0.00 0.00 178.44 178.57 3ix4 h ARG 61 N -0.06 0.81 -0.54 2.65 3.08 -0.91 -0.19 114.38 119.23 3ix4 h ARG 61 Ca 0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3ix4 h ARG 61 Cb 0.65 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 3ix4 h ARG 61 CO 0.03 0.54 0.34 0.93 -1.07 0.00 0.00 179.97 180.74 3ix4 h GLU 62 N 0.84 0.72 -0.40 0.04 5.08 -1.18 -2.31 114.58 117.37 3ix4 h GLU 62 Ca 0.32 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 3ix4 h GLU 62 Cb 0.12 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3ix4 h GLU 62 CO -0.15 0.50 0.13 1.25 -1.00 0.00 0.00 179.01 179.74 3ix4 h HIS 63 N 0.73 0.63 -0.36 4.33 2.76 -0.79 -1.04 115.15 121.41 3ix4 h HIS 63 Ca 0.20 -0.06 0.06 0.00 -2.20 0.00 0.00 60.37 58.37 3ix4 h HIS 63 Cb -0.04 -0.18 -0.06 0.00 1.55 0.00 0.00 27.41 28.68 3ix4 h HIS 63 CO -0.03 0.59 0.01 -0.92 -1.30 0.00 0.00 177.93 176.27 3ix4 h TYR 64 N 0.49 -0.01 -0.44 5.26 3.20 -0.89 0.12 116.97 124.71 3ix4 h TYR 64 Ca 0.13 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 3ix4 h TYR 64 Cb 0.25 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3ix4 h TYR 64 CO 0.01 -0.06 0.18 -0.44 -1.64 0.00 0.00 178.16 176.21 3ix4 h ASP 65 N 0.11 0.60 -0.51 -2.11 3.32 -1.29 -1.32 116.42 115.22 3ix4 h ASP 65 Ca 0.17 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 3ix4 h ASP 65 Cb 0.24 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3ix4 h ASP 65 CO -0.29 0.60 -0.02 -0.09 -1.72 0.00 0.00 179.24 177.72 3ix4 h ARG 66 N 0.57 0.92 -0.00 3.56 2.43 -0.70 -2.86 114.38 118.30 3ix4 h ARG 66 Ca 0.15 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3ix4 h ARG 66 Cb 0.18 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3ix4 h ARG 66 CO -0.01 0.95 -0.02 0.00 -1.51 0.00 0.00 179.97 179.37 3ix4 n ALA 67 N -2.45 2.54 -3.36 2.80 0.00 0.38 -4.93 120.51 115.49 3ix4 n ALA 67 Ca 0.01 -0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 3ix4 n ALA 67 Cb 0.33 -1.46 0.06 0.00 0.00 0.00 0.00 19.45 18.39 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 1.29 -0.47 0.21 0.00 0.00 -0.92 -4.90 105.19 100.41 3ix4 n GLY 68 Ca 0.14 0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.17 0.00 -0.24 1.61 0.05 -1.54 -1.85 116.97 112.83 3ix4 h TYR 69 Ca -0.53 0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.32 3ix4 h TYR 69 Cb 1.35 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.08 3ix4 h TYR 69 CO 0.48 0.00 0.24 0.00 -1.05 0.00 0.00 178.16 177.83 3ix4 h ALA 70 N 2.06 1.92 -0.00 3.88 0.00 -1.91 0.69 119.26 125.91 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 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ix4 h ALA 70 CO 0.00 -0.36 -0.17 0.54 0.00 0.00 0.00 179.25 179.26 3ix4 n ARG 71 N -3.89 0.24 -0.02 0.00 1.74 -0.70 -4.34 116.66 109.70 3ix4 n ARG 71 Ca 0.03 -0.08 -0.04 0.00 -0.77 0.00 0.00 57.85 57.00 3ix4 n ARG 71 Cb 0.38 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.30 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 -1.31 0.22 -1.50 1.55 0.31 0.36 -5.01 118.33 112.95 3ix4 n VAL 72 Ca 0.09 -0.07 -0.55 0.00 -0.01 0.00 0.00 64.34 63.81 3ix4 n VAL 72 Cb 0.31 -1.14 -0.08 0.00 -0.91 0.00 0.00 33.84 32.02 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 -2.92 1.97 0.30 4.52 -0.08 0.22 -4.75 116.55 115.80 3ix4 n ASP 73 Ca -0.07 0.68 0.19 0.00 -1.51 0.00 0.00 54.79 54.08 3ix4 n ASP 73 Cb 0.56 -1.16 0.88 0.00 2.34 0.00 0.00 41.12 43.75 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 10.06 0.00 0.00 -0.67 0.13 -1.89 -1.94 132.00 137.69 3ix4 h PRO 74 Ca -0.30 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.74 3ix4 h PRO 74 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 3ix4 h PRO 74 CO 1.01 0.02 -0.40 1.79 -0.23 0.00 0.00 178.00 180.19 3ix4 h THR 75 N 0.00 1.01 0.13 1.56 1.35 -1.93 -2.73 112.91 112.30 3ix4 h THR 75 Ca -0.00 -1.53 -0.01 0.00 -0.55 0.00 0.00 66.41 64.32 3ix4 h THR 75 Cb 0.31 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3ix4 h THR 75 CO 0.00 0.39 -0.06 0.58 -0.25 0.00 0.00 175.52 176.19 3ix4 h VAL 76 N 0.00 1.04 -0.42 6.82 2.07 -1.67 -1.10 116.25 122.99 3ix4 h VAL 76 Ca -0.00 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 3ix4 h VAL 76 Cb 0.87 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 3ix4 h VAL 76 CO 0.05 0.17 0.09 0.77 0.02 0.00 0.00 177.57 178.68 3ix4 h SER 77 N -0.52 0.58 -0.43 0.57 4.64 -1.64 -2.25 113.55 114.50 3ix4 h SER 77 Ca -0.02 -0.09 0.03 0.00 -0.47 0.00 0.00 61.79 61.24 3ix4 h SER 77 Cb 0.41 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 3ix4 h SER 77 CO 0.03 0.59 0.23 -0.74 -0.87 0.00 0.00 176.83 176.06 3ix4 h HIS 78 N 0.61 0.42 -0.27 4.77 6.17 -1.34 -2.68 115.15 122.83 3ix4 h HIS 78 Ca 0.14 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.23 3ix4 h HIS 78 Cb 0.25 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 30.04 3ix4 h HIS 78 CO 0.01 0.22 0.14 0.00 0.71 0.00 0.00 177.93 179.01 3ix4 h THR 80 N 0.37 0.00 0.00 0.00 1.35 -1.12 -3.29 112.91 110.22 3ix4 h THR 80 Ca 0.10 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3ix4 h THR 80 Cb 0.03 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3ix4 h THR 80 CO -0.01 0.00 -0.25 0.00 -0.25 0.00 0.00 175.52 175.01 3ix4 n GLN 81 N -2.69 5.36 -3.93 4.72 6.02 -0.40 -5.07 117.38 121.39 3ix4 n GLN 81 Ca 0.01 -0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.91 3ix4 n GLN 81 Cb 0.23 -0.70 -0.09 0.00 1.02 0.00 0.00 30.24 30.71 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 -1.42 0.21 0.00 1.08 0.15 -0.45 -5.01 113.70 108.26 3ix4 s SER 82 Ca 0.01 -0.67 0.19 0.00 0.70 0.00 0.00 55.95 56.18 3ix4 s SER 82 Cb 0.03 0.27 0.12 0.00 -1.71 0.00 0.00 66.02 64.73 3ix4 s SER 82 CO 0.14 -0.62 1.07 1.33 1.20 0.00 0.00 173.24 176.36 3ix4 n VAL 83 N 0.29 0.00 -3.57 4.45 0.24 -1.26 -4.64 118.33 113.84 3ix4 n VAL 83 Ca -0.16 -0.46 -0.30 0.00 -2.04 0.00 0.00 64.34 61.37 3ix4 n VAL 83 Cb 0.61 1.36 -0.04 0.00 -1.47 0.00 0.00 33.84 34.30 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 -1.70 4.20 0.62 1.34 1.43 -1.26 -4.58 118.68 118.73 3ix4 s LEU 84 Ca 0.21 0.62 -0.18 0.00 -1.03 0.00 0.00 54.13 53.76 3ix4 s LEU 84 Cb 0.16 -3.39 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 3ix4 s LEU 84 CO 0.28 -0.04 1.20 -2.16 0.23 0.00 0.00 176.35 175.85 3ix4 s PRO 85 N -3.02 2.81 -0.17 1.29 0.04 -1.26 -4.44 135.00 130.25 3ix4 s PRO 85 Ca 0.42 1.77 0.01 0.00 0.04 0.00 0.00 61.00 63.24 3ix4 s PRO 85 Cb -0.11 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.53 3ix4 s PRO 85 CO 0.26 -1.32 -0.20 -1.50 0.04 0.00 0.00 177.00 174.28 3ix4 s ILE 86 N -1.74 2.07 0.27 0.56 2.07 -0.58 -4.98 121.20 118.87 3ix4 s ILE 86 Ca 0.76 -0.95 -0.18 0.00 -1.41 0.00 0.00 60.65 58.87 3ix4 s ILE 86 Cb -0.29 -1.85 -0.09 0.00 0.13 0.00 0.00 42.46 40.36 3ix4 s ILE 86 CO 0.36 0.54 0.74 -0.36 -1.91 0.00 0.00 174.94 174.31 3ix4 s PHE 87 N 1.17 3.52 -1.32 3.50 0.40 -1.26 -1.00 117.98 122.98 3ix4 s PHE 87 Ca 0.02 1.32 -0.17 0.00 -0.60 0.00 0.00 56.93 57.49 3ix4 s PHE 87 Cb -0.14 -2.59 0.07 0.00 0.51 0.00 0.00 43.02 40.88 3ix4 s PHE 87 CO -0.10 0.22 1.79 0.91 0.70 0.00 0.00 175.22 178.74 3ix4 n TRP 88 N 0.21 4.53 -4.12 0.36 8.01 0.19 -4.90 117.44 121.72 3ix4 n TRP 88 Ca 0.01 -2.87 -0.31 0.00 -1.31 0.00 0.00 57.50 53.01 3ix4 n TRP 88 Cb 0.52 -2.61 -0.07 0.00 -2.01 0.00 0.00 31.31 27.13 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 4.00 2.86 0.41 -0.99 0.41 -1.26 -4.62 118.70 119.52 3ix4 s GLU 89 Ca 0.53 -0.64 0.25 0.00 -0.41 0.00 0.00 54.97 54.69 3ix4 s GLU 89 Cb 0.05 -2.72 1.31 0.00 -1.78 0.00 0.00 34.13 30.99 3ix4 s GLU 89 CO 0.06 0.59 1.64 -1.35 -0.49 0.00 0.00 175.26 175.71 3ix4 h PRO 90 N 3.72 0.15 0.00 0.39 0.11 -1.95 -0.85 132.00 133.57 3ix4 h PRO 90 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ix4 h PRO 90 Cb 1.17 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3ix4 h PRO 90 CO 0.62 0.10 0.00 0.66 -0.21 0.00 0.00 178.00 179.18 3ix4 h SER 91 N 0.16 0.00 1.63 -2.05 4.64 -1.96 -2.01 113.55 113.96 3ix4 h SER 91 Ca 0.78 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.10 3ix4 h SER 91 Cb 2.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.33 3ix4 h SER 91 CO -0.48 0.00 -0.07 0.16 -0.87 0.00 0.00 176.83 175.57 3ix4 h ILE 92 N 0.00 0.00 -3.24 0.95 3.07 -1.49 -3.41 117.51 113.38 3ix4 h ILE 92 Ca 0.00 -0.70 -0.74 0.00 1.55 0.00 0.00 64.86 64.98 3ix4 h ILE 92 Cb 0.25 1.66 -0.22 0.00 -0.27 0.00 0.00 36.82 38.24 3ix4 h ILE 92 CO 0.00 0.00 -0.26 -0.31 -1.05 0.00 0.00 178.15 176.53 3ix4 s TYR 93 N -3.16 3.22 -0.01 0.16 1.51 -0.76 -4.74 117.35 113.57 3ix4 s TYR 93 Ca 0.09 -0.96 -0.00 0.00 -1.01 0.00 0.00 57.07 55.19 3ix4 s TYR 93 Cb 0.09 -3.35 -0.01 0.00 -0.11 0.00 0.00 41.96 38.58 3ix4 s TYR 93 CO 0.64 -0.88 -0.01 1.04 -1.11 0.00 0.00 175.55 175.23 3ix4 n GLN 94 N 5.35 0.03 -1.82 -0.62 6.02 -1.26 -4.76 117.38 120.32 3ix4 n GLN 94 Ca -0.12 0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.58 3ix4 n GLN 94 Cb 0.43 -0.89 0.05 0.00 1.02 0.00 0.00 30.24 30.86 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 -2.03 3.40 0.18 5.09 -4.23 -1.26 -4.87 115.64 111.92 3ix4 s THR 95 Ca -0.02 0.46 -0.13 0.00 -1.18 0.00 0.00 61.69 60.81 3ix4 s THR 95 Cb 0.01 -3.40 0.07 0.00 1.34 0.00 0.00 72.50 70.51 3ix4 s THR 95 CO 0.03 -0.59 1.79 -0.09 -0.54 0.00 0.00 174.62 175.22 3ix4 h ARG 96 N -0.74 0.50 -0.70 3.99 2.43 -1.99 -0.60 114.38 117.26 3ix4 h ARG 96 Ca -0.45 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.67 3ix4 h ARG 96 Cb 1.26 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 3ix4 h ARG 96 CO 0.63 0.33 0.38 0.87 -1.51 0.00 0.00 179.97 180.67 3ix4 h LYS 97 N 0.51 0.98 -0.24 0.20 1.57 -1.99 -1.34 116.57 116.26 3ix4 h LYS 97 Ca 0.21 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 3ix4 h LYS 97 Cb 0.10 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3ix4 h LYS 97 CO -0.14 0.72 -0.31 1.96 -0.57 0.00 0.00 179.45 181.12 3ix4 h GLN 98 N 0.98 0.50 -0.55 3.15 4.20 -1.70 0.68 115.11 122.38 3ix4 h GLN 98 Ca 0.25 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 3ix4 h GLN 98 Cb 0.04 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3ix4 h GLN 98 CO -0.04 0.76 0.19 0.45 -0.67 0.00 0.00 178.83 179.52 3ix4 h HIS 99 N 0.43 0.87 -0.57 2.96 3.86 -0.62 -0.42 115.15 121.66 3ix4 h HIS 99 Ca 0.05 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 3ix4 h HIS 99 Cb 0.76 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 3ix4 h HIS 99 CO 0.03 0.72 0.21 0.93 0.86 0.00 0.00 177.93 180.68 3ix4 h GLU 100 N 0.76 0.86 -0.02 2.45 5.08 -0.97 -1.84 114.58 120.90 3ix4 h GLU 100 Ca 0.18 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3ix4 h GLU 100 Cb 0.25 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3ix4 h GLU 100 CO -0.01 0.76 -0.18 0.35 -1.00 0.00 0.00 179.01 178.93 3ix4 h PHE 101 N 0.79 -0.47 -0.68 4.33 3.57 -0.72 -0.36 116.94 123.39 3ix4 h PHE 101 Ca 0.19 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.83 3ix4 h PHE 101 Cb 0.23 0.21 -0.09 0.00 2.79 0.00 0.00 35.95 39.10 3ix4 h PHE 101 CO 0.01 -0.26 0.24 0.35 -2.23 0.00 0.00 178.31 176.42 3ix4 h PHE 102 N -0.28 0.40 -0.32 0.41 3.57 -0.90 0.56 116.94 120.38 3ix4 h PHE 102 Ca 0.06 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 3ix4 h PHE 102 Cb 0.36 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3ix4 h PHE 102 CO -0.24 0.04 0.13 0.93 -2.23 0.00 0.00 178.31 176.94 3ix4 h GLU 103 N 0.38 0.47 -0.55 1.11 5.08 -0.82 -1.08 114.58 119.18 3ix4 h GLU 103 Ca 0.37 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 58.53 3ix4 h GLU 103 Cb 0.53 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3ix4 h GLU 103 CO -0.39 0.48 -0.09 0.93 -1.00 0.00 0.00 179.01 178.95 3ix4 h GLU 104 N 0.36 1.03 -0.33 2.33 4.39 -0.59 -1.92 114.58 119.85 3ix4 h GLU 104 Ca 0.11 -0.37 -0.12 0.00 0.34 0.00 0.00 59.36 59.31 3ix4 h GLU 104 Cb 0.18 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 3ix4 h GLU 104 CO -0.01 1.07 -0.27 0.00 -1.16 0.00 0.00 179.01 178.64 3ix4 h ALA 105 N 0.93 0.90 -0.47 3.43 0.00 -0.86 -2.72 119.26 120.48 3ix4 h ALA 105 Ca 0.14 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3ix4 h ALA 105 Cb 0.66 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3ix4 h ALA 105 CO 0.05 0.62 0.24 0.77 0.00 0.00 0.00 179.25 180.92 3ix4 h SER 106 N 0.59 0.60 -0.49 0.00 0.02 -1.02 -0.72 113.55 112.53 3ix4 h SER 106 Ca 0.08 -0.12 0.11 0.00 -0.84 0.00 0.00 61.79 61.02 3ix4 h SER 106 Cb 0.77 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 3ix4 h SER 106 CO 0.06 0.55 0.34 0.00 -1.14 0.00 0.00 176.83 176.64 3ix4 h ALA 107 N 1.08 2.24 -0.00 3.77 0.00 -1.20 0.89 119.26 126.03 3ix4 h ALA 107 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ix4 h ALA 107 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ix4 h ALA 107 CO -0.02 -0.36 -0.00 0.00 0.00 0.00 0.00 179.25 178.86 3ix4 n ALA 108 N -2.58 2.67 -0.45 0.00 0.00 -0.70 -4.87 120.51 114.57 3ix4 n ALA 108 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3ix4 n ALA 108 Cb 0.44 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 1.04 0.77 3.22 0.00 0.00 0.31 -4.84 105.19 105.69 3ix4 n GLY 109 Ca 0.23 0.00 -0.42 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 5.97 0.00 0.99 1.43 -0.36 -4.82 118.68 121.89 3ix4 s LEU 110 Ca 0.00 -2.50 0.00 0.00 -1.03 0.00 0.00 54.13 50.60 3ix4 s LEU 110 Cb 0.00 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3ix4 s LEU 110 CO 0.00 -0.55 0.00 0.55 0.23 0.00 0.00 176.35 176.58 3ix4 n VAL 111 N 4.11 0.00 -4.36 -1.59 3.14 -1.26 -3.04 118.33 115.33 3ix4 n VAL 111 Ca 0.05 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.08 3ix4 n VAL 111 Cb 0.42 -1.19 -0.10 0.00 -1.06 0.00 0.00 33.84 31.91 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 -1.98 3.13 -3.81 1.45 4.12 -1.26 -4.90 117.35 114.10 3ix4 s TYR 112 Ca 0.00 0.09 0.00 0.00 0.02 0.00 0.00 57.07 57.18 3ix4 s TYR 112 Cb 0.00 -1.84 0.00 0.00 -1.52 0.00 0.00 41.96 38.60 3ix4 s TYR 112 CO 0.00 0.35 0.00 0.41 0.02 0.00 0.00 175.55 176.33 3ix4 n GLY 113 N 2.51 -1.01 3.43 0.71 0.00 -1.26 -0.48 105.19 109.10 3ix4 n GLY 113 Ca -0.18 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 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 0.48 -0.10 0.99 2.34 -0.83 -0.63 118.68 120.94 3ix4 s LEU 114 Ca 0.00 -0.62 0.01 0.00 0.06 0.00 0.00 54.13 53.58 3ix4 s LEU 114 Cb 0.00 1.72 0.02 0.00 -0.56 0.00 0.00 46.19 47.37 3ix4 s LEU 114 CO 0.00 -0.97 -0.11 -0.89 -1.06 0.00 0.00 176.35 173.32 3ix4 s THR 115 N -3.90 1.18 -0.34 5.48 2.01 -0.17 -1.54 115.64 118.35 3ix4 s THR 115 Ca 0.12 -0.44 -0.14 0.00 0.31 0.00 0.00 61.69 61.53 3ix4 s THR 115 Cb 0.01 -1.12 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 3ix4 s THR 115 CO -0.03 0.38 0.33 -0.04 -0.69 0.00 0.00 174.62 174.57 3ix4 s MET 116 N 1.15 3.56 0.53 4.92 1.00 0.86 -1.52 119.30 129.80 3ix4 s MET 116 Ca -0.05 -0.47 -0.22 0.00 0.00 0.00 0.00 55.69 54.96 3ix4 s MET 116 Cb -0.14 -3.80 -0.05 0.00 0.00 0.00 0.00 34.83 30.84 3ix4 s MET 116 CO -0.02 -0.49 1.35 -2.14 0.00 0.00 0.00 175.02 173.71 3ix4 s PRO 117 N 1.94 3.21 -0.13 2.03 0.02 -1.26 -0.87 135.00 139.94 3ix4 s PRO 117 Ca 0.10 2.22 0.02 0.00 0.02 0.00 0.00 61.00 63.36 3ix4 s PRO 117 Cb -0.17 -2.29 0.00 0.00 0.02 0.00 0.00 34.50 32.06 3ix4 s PRO 117 CO 0.11 -1.13 -0.21 -0.51 -0.33 0.00 0.00 177.00 174.94 3ix4 s LEU 118 N -3.44 2.20 -0.21 -5.54 1.43 -0.13 -4.83 118.68 108.17 3ix4 s LEU 118 Ca 0.70 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 53.23 3ix4 s LEU 118 Cb -0.40 -1.46 0.06 0.00 0.03 0.00 0.00 46.19 44.42 3ix4 s LEU 118 CO 0.47 0.11 0.01 -1.00 0.23 0.00 0.00 176.35 176.18 3ix4 s HIS 119 N 0.64 1.42 0.63 0.29 3.76 -1.26 -0.66 115.29 120.10 3ix4 s HIS 119 Ca -0.11 -1.13 -0.07 0.00 -0.15 0.00 0.00 55.06 53.60 3ix4 s HIS 119 Cb -0.16 -1.20 0.02 0.00 1.11 0.00 0.00 32.58 32.35 3ix4 s HIS 119 CO 0.02 -0.66 0.96 0.20 -0.85 0.00 0.00 174.74 174.40 3ix4 s GLY 120 N 1.73 1.62 0.57 -2.22 0.00 -0.22 -4.95 107.32 103.85 3ix4 s GLY 120 Ca -0.02 -0.66 0.31 0.00 0.00 0.00 0.00 44.72 44.36 3ix4 s GLY 120 CO -0.08 -0.34 2.17 0.00 0.00 0.00 0.00 173.10 174.85 3ix4 h ALA 121 N -0.33 1.29 -0.42 3.20 0.00 -1.98 -2.43 119.26 118.59 3ix4 h ALA 121 Ca -0.45 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 3ix4 h ALA 121 Cb 1.26 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 3ix4 h ALA 121 CO 0.61 0.07 0.06 0.54 0.00 0.00 0.00 179.25 180.53 3ix4 n ARG 122 N -3.58 2.53 -0.65 0.00 5.12 -1.26 -4.93 116.66 113.89 3ix4 n ARG 122 Ca -0.02 -3.03 0.00 0.00 -1.93 0.00 0.00 57.85 52.87 3ix4 n ARG 122 Cb 0.17 -1.91 0.00 0.00 -1.16 0.00 0.00 32.46 29.55 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 -0.77 0.75 3.77 -0.13 0.00 -0.91 -4.46 105.19 103.44 3ix4 n GLY 123 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.35 3.97 -0.11 1.61 8.01 -1.26 -3.64 118.70 126.93 3ix4 s GLU 124 Ca 0.00 2.52 0.03 0.00 0.01 0.00 0.00 54.97 57.53 3ix4 s GLU 124 Cb 0.00 -2.87 -0.00 0.00 -4.31 0.00 0.00 34.13 26.95 3ix4 s GLU 124 CO 0.00 -0.63 -0.21 -1.17 0.01 0.00 0.00 175.26 173.26 3ix4 s LEU 125 N -2.30 2.26 0.00 1.80 2.96 -0.56 -1.05 118.68 121.79 3ix4 s LEU 125 Ca 0.55 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3ix4 s LEU 125 Cb -0.46 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 44.78 3ix4 s LEU 125 CO 0.61 0.16 0.12 0.61 -1.32 0.00 0.00 176.35 176.53 3ix4 n GLY 126 N 3.55 2.34 3.30 7.98 0.00 0.16 -0.25 105.19 122.27 3ix4 n GLY 126 Ca -0.19 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.48 -1.00 -0.30 4.61 0.00 -0.13 -0.95 121.76 122.50 3ix4 s ALA 127 Ca 0.04 1.15 -0.02 0.00 0.00 0.00 0.00 51.96 53.13 3ix4 s ALA 127 Cb -0.01 -0.67 0.05 0.00 0.00 0.00 0.00 23.12 22.49 3ix4 s ALA 127 CO 0.03 -0.19 0.01 -1.17 0.00 0.00 0.00 175.76 174.44 3ix4 s LEU 128 N 0.24 3.92 -0.09 0.00 2.96 -0.05 -0.94 118.68 124.71 3ix4 s LEU 128 Ca -0.00 -1.23 -0.03 0.00 -0.22 0.00 0.00 54.13 52.65 3ix4 s LEU 128 Cb -0.03 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 3ix4 s LEU 128 CO 0.00 -0.26 0.03 -0.44 -1.32 0.00 0.00 176.35 174.36 3ix4 s SER 129 N 1.28 5.44 -0.02 3.68 0.01 -0.19 -0.10 113.70 123.79 3ix4 s SER 129 Ca -0.05 0.20 -0.00 0.00 1.31 0.00 0.00 55.95 57.41 3ix4 s SER 129 Cb -0.20 -1.59 0.03 0.00 0.21 0.00 0.00 66.02 64.47 3ix4 s SER 129 CO -0.01 0.38 0.03 -0.76 0.41 0.00 0.00 173.24 173.29 3ix4 s LEU 130 N -0.87 0.97 0.11 2.44 1.02 -0.59 -1.28 118.68 120.49 3ix4 s LEU 130 Ca 0.13 0.03 0.02 0.00 0.02 0.00 0.00 54.13 54.34 3ix4 s LEU 130 Cb -0.11 -0.10 -0.04 0.00 0.02 0.00 0.00 46.19 45.96 3ix4 s LEU 130 CO 0.03 -0.14 0.21 -0.55 0.02 0.00 0.00 176.35 175.92 3ix4 s SER 131 N 1.21 6.11 -0.03 2.29 0.15 0.00 -1.96 113.70 121.47 3ix4 s SER 131 Ca -0.07 0.13 0.05 0.00 0.70 0.00 0.00 55.95 56.75 3ix4 s SER 131 Cb -0.13 -1.80 -0.01 0.00 -1.71 0.00 0.00 66.02 62.38 3ix4 s SER 131 CO -0.03 0.11 -0.17 0.54 1.20 0.00 0.00 173.24 174.89 3ix4 s VAL 132 N -1.62 1.38 -0.12 4.45 0.11 0.37 -0.92 120.40 124.05 3ix4 s VAL 132 Ca 0.33 -0.71 -0.26 0.00 -2.93 0.00 0.00 61.98 58.41 3ix4 s VAL 132 Cb -0.12 -1.17 -0.02 0.00 -1.53 0.00 0.00 36.38 33.54 3ix4 s VAL 132 CO 0.27 0.40 0.86 -1.61 -3.33 0.00 0.00 175.10 171.68 3ix4 s GLU 133 N -0.11 4.38 0.10 1.54 2.02 -1.26 -4.29 118.70 121.08 3ix4 s GLU 133 Ca -0.00 1.11 -0.16 0.00 0.02 0.00 0.00 54.97 55.94 3ix4 s GLU 133 Cb -0.10 -3.53 0.03 0.00 0.10 0.00 0.00 34.13 30.63 3ix4 s GLU 133 CO 0.01 -0.22 0.38 0.00 0.02 0.00 0.00 175.26 175.45 3ix4 s ALA 134 N 1.75 -0.88 0.16 5.21 0.00 -1.26 -4.95 121.76 121.79 3ix4 s ALA 134 Ca 0.42 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 3ix4 s ALA 134 Cb -0.18 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.55 3ix4 s ALA 134 CO 0.16 -0.59 1.40 0.93 0.00 0.00 0.00 175.76 177.67 3ix4 h GLU 135 N 2.54 0.52 -3.76 0.00 4.39 -1.96 -3.47 114.58 112.83 3ix4 h GLU 135 Ca -0.33 -0.42 -0.08 0.00 0.34 0.00 0.00 59.36 58.87 3ix4 h GLU 135 Cb 1.24 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 29.87 3ix4 h GLU 135 CO 0.47 1.04 -0.20 0.54 -1.16 0.00 0.00 179.01 179.70 3ix4 s ASN 136 N -7.01 -0.05 0.36 1.42 4.22 -1.26 -5.06 114.94 107.56 3ix4 s ASN 136 Ca -0.07 -0.90 0.04 0.00 -2.14 0.00 0.00 52.86 49.79 3ix4 s ASN 136 Cb 0.10 0.53 0.68 0.00 1.28 0.00 0.00 41.25 43.83 3ix4 s ASN 136 CO 0.86 -1.03 1.96 -0.09 -2.04 0.00 0.00 177.10 176.75 3ix4 h ARG 137 N 2.36 0.62 -0.41 3.55 2.43 -1.99 -1.94 114.38 119.00 3ix4 h ARG 137 Ca -0.29 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 58.79 3ix4 h ARG 137 Cb 1.25 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 3ix4 h ARG 137 CO 0.41 0.50 0.19 0.00 -1.51 0.00 0.00 179.97 179.56 3ix4 h ALA 138 N 1.59 0.53 -0.66 2.80 0.00 -1.99 -0.23 119.26 121.30 3ix4 h ALA 138 Ca 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ix4 h ALA 138 Cb 0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3ix4 h ALA 138 CO -0.02 0.10 0.35 1.49 0.00 0.00 0.00 179.25 181.18 3ix4 h GLU 139 N 0.52 0.93 0.06 0.00 4.81 -1.91 -1.56 114.58 117.42 3ix4 h GLU 139 Ca 0.14 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3ix4 h GLU 139 Cb 0.14 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 3ix4 h GLU 139 CO -0.02 0.71 -0.04 0.00 -0.73 0.00 0.00 179.01 178.94 3ix4 h ALA 140 N 1.17 -0.09 -0.52 2.92 0.00 -1.06 -2.03 119.26 119.66 3ix4 h ALA 140 Ca 0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3ix4 h ALA 140 Cb 0.06 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3ix4 h ALA 140 CO -0.03 -0.55 0.18 -0.91 0.00 0.00 0.00 179.25 177.94 3ix4 h ASN 141 N -0.09 0.69 -0.37 0.00 2.35 -0.95 -0.90 115.58 116.31 3ix4 h ASN 141 Ca -0.00 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3ix4 h ASN 141 Cb 0.08 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3ix4 h ASN 141 CO 0.00 0.65 0.20 -0.09 -1.65 0.00 0.00 177.43 176.54 3ix4 h ARG 142 N 0.75 0.51 0.18 0.81 2.43 -1.14 -1.67 114.38 116.25 3ix4 h ARG 142 Ca 0.18 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3ix4 h ARG 142 Cb 0.19 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3ix4 h ARG 142 CO -0.01 0.42 -0.09 0.35 -1.51 0.00 0.00 179.97 179.13 3ix4 h PHE 143 N 0.47 -0.23 -0.65 2.20 3.57 -0.96 -2.36 116.94 118.97 3ix4 h PHE 143 Ca 0.13 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.67 3ix4 h PHE 143 Cb 0.06 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 3ix4 h PHE 143 CO -0.03 -0.07 0.37 0.52 -2.23 0.00 0.00 178.31 176.87 3ix4 h MET 144 N -0.34 0.69 -0.74 1.11 2.86 -1.11 -1.28 114.93 116.12 3ix4 h MET 144 Ca -0.03 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3ix4 h MET 144 Cb 0.26 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 3ix4 h MET 144 CO 0.04 0.45 0.42 0.93 1.06 0.00 0.00 176.91 179.82 3ix4 h GLU 145 N 0.71 1.01 0.00 1.72 4.39 -1.29 -0.07 114.58 121.05 3ix4 h GLU 145 Ca 0.28 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 3ix4 h GLU 145 Cb 0.13 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3ix4 h GLU 145 CO -0.15 0.72 -0.14 0.66 -1.16 0.00 0.00 179.01 178.94 3ix4 h SER 146 N 1.02 0.00 -0.01 1.42 4.64 -0.68 -3.07 113.55 116.87 3ix4 h SER 146 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3ix4 h SER 146 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3ix4 h SER 146 CO -0.05 0.14 -0.05 1.33 -0.87 0.00 0.00 176.83 177.34 3ix4 n VAL 147 N -3.71 0.00 -0.25 0.95 0.24 -0.99 -4.79 118.33 109.78 3ix4 n VAL 147 Ca -0.02 -0.48 0.02 0.00 -2.04 0.00 0.00 64.34 61.83 3ix4 n VAL 147 Cb 0.26 1.16 0.15 0.00 -1.47 0.00 0.00 33.84 33.94 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 1.51 0.44 -0.97 1.34 5.85 -0.91 -0.76 115.31 121.81 3ix4 h LEU 148 Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3ix4 h LEU 148 Cb 0.34 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3ix4 h LEU 148 CO 0.00 0.24 0.54 -0.65 -0.34 0.00 0.00 178.44 178.22 3ix4 h PRO 149 N 0.58 1.25 -0.30 5.25 0.11 -1.87 0.14 132.00 137.17 3ix4 h PRO 149 Ca 0.37 -0.12 -0.03 0.00 0.11 0.00 0.00 66.00 66.32 3ix4 h PRO 149 Cb 0.43 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 3ix4 h PRO 149 CO -0.30 0.89 0.06 1.15 -0.21 0.00 0.00 178.00 179.59 3ix4 h THR 150 N 1.27 1.23 -0.85 -1.15 2.02 -1.74 -2.81 112.91 110.87 3ix4 h THR 150 Ca 0.33 -0.78 0.06 0.00 0.77 0.00 0.00 66.41 66.79 3ix4 h THR 150 Cb -0.03 1.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 3ix4 h THR 150 CO -0.06 0.25 0.53 0.25 0.37 0.00 0.00 175.52 176.87 3ix4 h LEU 151 N 0.31 0.84 -0.93 2.58 6.46 -0.81 -0.71 115.31 123.05 3ix4 h LEU 151 Ca 0.09 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.82 3ix4 h LEU 151 Cb 0.32 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 3ix4 h LEU 151 CO 0.00 0.55 0.28 -0.25 -0.62 0.00 0.00 178.44 178.40 3ix4 h TRP 152 N 0.98 1.07 -0.21 1.25 2.91 -0.54 -0.41 115.95 121.00 3ix4 h TRP 152 Ca 0.36 -0.07 -0.09 0.00 1.13 0.00 0.00 58.89 60.22 3ix4 h TRP 152 Cb 0.13 -0.32 -0.00 0.00 -0.51 0.00 0.00 29.16 28.46 3ix4 h TRP 152 CO -0.03 0.82 -0.23 0.52 -1.03 0.00 0.00 178.44 178.48 3ix4 h MET 153 N 1.03 0.52 -0.57 2.65 2.86 -1.25 -3.31 114.93 116.86 3ix4 h MET 153 Ca 0.24 -0.29 0.09 0.00 -2.06 0.00 0.00 59.70 57.68 3ix4 h MET 153 Cb 0.21 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.81 3ix4 h MET 153 CO -0.02 0.87 0.20 1.25 1.06 0.00 0.00 176.91 180.27 3ix4 h LEU 154 N 0.20 0.18 -1.37 1.22 5.85 -0.39 -1.78 115.31 119.21 3ix4 h LEU 154 Ca 0.03 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3ix4 h LEU 154 Cb 0.79 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.85 3ix4 h LEU 154 CO 0.06 0.11 0.46 0.07 -0.34 0.00 0.00 178.44 178.80 3ix4 h LYS 155 N 0.37 0.79 -0.00 1.25 5.09 -1.19 0.98 116.57 123.85 3ix4 h LYS 155 Ca 0.29 -0.05 -0.25 0.00 0.09 0.00 0.00 60.65 60.72 3ix4 h LYS 155 Cb 0.35 -0.18 0.02 0.00 0.10 0.00 0.00 32.23 32.52 3ix4 h LYS 155 CO -0.30 0.52 -1.01 -0.44 -2.09 0.00 0.00 179.45 176.13 3ix4 h ASP 156 N 0.81 0.81 -0.63 7.07 3.32 -1.46 -0.93 116.42 125.41 3ix4 h ASP 156 Ca 0.28 -0.64 0.01 0.00 0.02 0.00 0.00 57.03 56.70 3ix4 h ASP 156 Cb 0.10 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3ix4 h ASP 156 CO -0.08 1.44 0.41 1.88 -1.72 0.00 0.00 179.24 181.17 3ix4 h TYR 157 N 0.36 0.77 -0.59 4.55 0.99 -0.96 -0.47 116.97 121.62 3ix4 h TYR 157 Ca -0.11 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.53 3ix4 h TYR 157 Cb 1.66 -0.26 -0.02 0.00 1.00 0.00 0.00 36.73 39.11 3ix4 h TYR 157 CO 0.09 0.47 -0.03 0.00 -0.00 0.00 0.00 178.16 178.69 3ix4 h ALA 158 N 1.25 0.79 0.13 3.88 0.00 -0.79 -1.87 119.26 122.66 3ix4 h ALA 158 Ca 0.24 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ix4 h ALA 158 Cb -0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3ix4 h ALA 158 CO -0.07 0.66 -0.09 1.25 0.00 0.00 0.00 179.25 181.00 3ix4 h LEU 159 N 0.95 -0.23 -0.41 0.00 5.85 -1.02 0.32 115.31 120.78 3ix4 h LEU 159 Ca 0.16 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3ix4 h LEU 159 Cb 0.60 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3ix4 h LEU 159 CO 0.04 -0.15 0.19 -0.61 -0.34 0.00 0.00 178.44 177.57 3ix4 h GLN 160 N -0.23 0.59 -0.08 1.25 5.75 -0.95 -0.52 115.11 120.93 3ix4 h GLN 160 Ca -0.01 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.35 3ix4 h GLN 160 Cb 0.20 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.64 3ix4 h GLN 160 CO 0.00 0.52 -0.17 1.03 -2.65 0.00 0.00 178.83 177.57 3ix4 h SER 161 N 0.52 0.28 -0.72 -0.69 0.87 -1.36 -3.29 113.55 109.16 3ix4 h SER 161 Ca 0.14 -0.57 -0.01 0.00 -1.23 0.00 0.00 61.79 60.12 3ix4 h SER 161 Cb 0.13 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 3ix4 h SER 161 CO -0.02 0.81 0.43 1.23 -0.53 0.00 0.00 176.83 178.75 3ix4 h GLY 162 N -0.23 1.06 1.33 5.77 0.00 -0.21 -2.33 103.07 108.46 3ix4 h GLY 162 Ca 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 46.91 3ix4 h GLY 162 CO 0.04 0.42 0.43 0.00 0.00 0.00 0.00 176.54 177.43 3ix4 h ALA 163 N 1.47 1.56 -0.33 3.60 0.00 -1.17 0.18 119.26 124.58 3ix4 h ALA 163 Ca 0.26 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3ix4 h ALA 163 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3ix4 h ALA 163 CO -0.05 0.39 -0.31 0.78 0.00 0.00 0.00 179.25 180.06 3ix4 h GLY 164 N 0.86 0.77 0.85 0.00 0.00 -1.49 -1.72 103.07 102.34 3ix4 h GLY 164 Ca 0.25 -0.71 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 3ix4 h GLY 164 CO -0.06 0.65 -0.33 -2.00 0.00 0.00 0.00 176.54 174.80 3ix4 h LEU 165 N 0.60 0.58 -0.46 3.11 5.85 -1.14 -1.62 115.31 122.23 3ix4 h LEU 165 Ca 0.07 -0.55 -0.07 0.00 0.84 0.00 0.00 57.88 58.16 3ix4 h LEU 165 Cb 0.83 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3ix4 h LEU 165 CO 0.07 1.02 -0.00 0.00 -0.34 0.00 0.00 178.44 179.19 3ix4 h ALA 166 N 0.57 0.62 0.00 1.25 0.00 -0.68 -3.40 119.26 117.62 3ix4 h ALA 166 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ix4 h ALA 166 Cb 0.92 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3ix4 h ALA 166 CO 0.07 0.42 -0.18 1.19 0.00 0.00 0.00 179.25 180.75 3ix4 n PHE 167 N -4.37 0.00 1.46 0.00 0.99 -0.65 -5.08 117.46 109.81 3ix4 n PHE 167 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.57 3ix4 n PHE 167 Cb 0.31 0.00 0.69 0.00 -1.00 0.00 0.00 39.48 39.48 3ix4 n PHE 167 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15