#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ix4 h ALA 2 N 0.00 1.99 -0.94 3.04 0.00 -2.09 -2.75 119.26 118.52 3ix4 h ALA 2 Ca 0.00 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.10 3ix4 h ALA 2 Cb 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.60 3ix4 h ALA 2 CO 0.00 -0.24 0.53 1.25 0.00 0.00 0.00 179.25 180.79 3ix4 h LEU 3 N 0.55 0.65 -2.23 0.00 5.85 -2.09 -2.59 115.31 115.46 3ix4 h LEU 3 Ca 0.43 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.26 3ix4 h LEU 3 Cb 0.86 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.89 3ix4 h LEU 3 CO -0.18 0.23 0.00 1.33 -0.34 0.00 0.00 178.44 179.48 3ix4 n VAL 4 N -4.83 0.49 -0.25 1.05 0.24 -1.04 -4.54 118.33 109.44 3ix4 n VAL 4 Ca 0.21 -0.74 0.02 0.00 -2.04 0.00 0.00 64.34 61.79 3ix4 n VAL 4 Cb 0.54 0.94 0.25 0.00 -1.47 0.00 0.00 33.84 34.10 3ix4 n VAL 4 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 3ix4 h ASP 5 N 3.23 0.86 -0.68 -1.34 1.82 -1.41 -2.15 116.42 116.76 3ix4 h ASP 5 Ca 0.00 -0.01 0.06 0.00 -0.39 0.00 0.00 57.03 56.69 3ix4 h ASP 5 Cb 0.78 -0.20 -0.06 0.00 0.68 0.00 0.00 39.33 40.54 3ix4 h ASP 5 CO 0.00 0.60 0.38 1.23 -1.61 0.00 0.00 179.24 179.84 3ix4 h GLY 6 N 1.00 1.00 2.00 -0.78 0.00 -1.80 -2.39 103.07 102.10 3ix4 h GLY 6 Ca 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3ix4 h GLY 6 CO -0.09 0.16 0.00 0.74 0.00 0.00 0.00 176.54 177.35 3ix4 h PHE 7 N 0.71 0.00 0.00 5.60 0.04 -1.71 -3.16 116.94 118.42 3ix4 h PHE 7 Ca 0.30 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.05 3ix4 h PHE 7 Cb 0.18 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.33 3ix4 h PHE 7 CO -0.07 0.00 -0.11 -0.07 -0.60 0.00 0.00 178.31 177.45 3ix4 h LEU 8 N 0.00 0.00 -1.85 1.54 -0.00 -1.41 -2.80 115.31 110.79 3ix4 h LEU 8 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3ix4 h LEU 8 Cb 0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.94 3ix4 h LEU 8 CO 0.00 0.11 -0.02 -0.08 -0.00 0.00 0.00 178.44 178.45 3ix4 h GLU 9 N 0.00 0.00 0.00 1.13 4.81 -1.72 -2.80 114.58 116.00 3ix4 h GLU 9 Ca -0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 3ix4 h GLU 9 Cb 0.59 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3ix4 h GLU 9 CO 0.01 0.02 -0.19 -0.07 -0.73 0.00 0.00 179.01 178.05 3ix4 h LEU 10 N 0.00 0.00 0.00 1.64 3.38 -1.74 -2.48 115.31 116.11 3ix4 h LEU 10 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ix4 h LEU 10 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3ix4 h LEU 10 CO 0.00 0.19 -1.21 -0.62 0.09 0.00 0.00 178.44 176.90 3ix4 n GLU 11 N -3.58 0.43 -0.04 1.13 -0.58 -1.06 -4.28 120.64 112.65 3ix4 n GLU 11 Ca -0.01 -0.01 0.11 0.00 -0.42 0.00 0.00 57.16 56.83 3ix4 n GLU 11 Cb 0.34 -1.63 0.49 0.00 -0.57 0.00 0.00 31.44 30.06 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 -2.18 1.48 -2.17 3.49 5.12 -0.94 -4.91 116.66 116.56 3ix4 n ARG 12 Ca 0.00 -0.72 -0.30 0.00 -1.93 0.00 0.00 57.85 54.90 3ix4 n ARG 12 Cb 0.49 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 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 -1.68 6.28 -0.39 0.55 1.04 -1.16 -5.06 113.70 113.29 3ix4 s SER 13 Ca 0.33 1.28 0.02 0.00 0.48 0.00 0.00 55.95 58.06 3ix4 s SER 13 Cb 0.17 -2.40 0.12 0.00 0.10 0.00 0.00 66.02 64.00 3ix4 s SER 13 CO 0.27 -0.75 0.16 -0.94 0.98 0.00 0.00 173.24 172.96 3ix4 s SER 14 N -4.03 4.10 0.00 7.02 1.04 -1.26 -4.98 113.70 115.59 3ix4 s SER 14 Ca 0.53 -2.27 0.00 0.00 0.48 0.00 0.00 55.95 54.69 3ix4 s SER 14 Cb -0.11 -1.19 0.00 0.00 0.10 0.00 0.00 66.02 64.82 3ix4 s SER 14 CO 0.49 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.98 3ix4 n GLY 15 N 4.04 2.20 0.31 7.32 0.00 -1.26 -4.58 105.19 113.22 3ix4 n GLY 15 Ca 0.04 -1.96 -0.06 0.00 0.00 0.00 0.00 46.02 44.04 3ix4 n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ix4 h LYS 16 N 0.00 1.00 -0.00 1.61 3.64 -1.97 -2.32 116.57 118.52 3ix4 h LYS 16 Ca 0.00 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3ix4 h LYS 16 Cb 0.00 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3ix4 h LYS 16 CO 0.00 0.94 0.00 1.25 -2.27 0.00 0.00 179.45 179.37 3ix4 h LEU 17 N 0.94 0.01 -0.45 5.20 7.12 -1.99 0.59 115.31 126.72 3ix4 h LEU 17 Ca 0.19 -0.08 -0.05 0.00 0.13 0.00 0.00 57.88 58.06 3ix4 h LEU 17 Cb 0.44 -0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.55 3ix4 h LEU 17 CO 0.01 0.08 0.07 -0.08 -0.13 0.00 0.00 178.44 178.40 3ix4 h GLU 18 N -0.07 0.75 -0.43 1.25 4.81 -1.80 -0.89 114.58 118.19 3ix4 h GLU 18 Ca 0.00 -0.20 0.03 0.00 -0.13 0.00 0.00 59.36 59.06 3ix4 h GLU 18 Cb 0.08 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 3ix4 h GLU 18 CO -0.00 0.77 0.22 2.35 -0.73 0.00 0.00 179.01 181.62 3ix4 h TRP 19 N 0.61 0.40 -0.64 0.92 7.01 -1.29 0.01 115.95 122.97 3ix4 h TRP 19 Ca 0.14 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 3ix4 h TRP 19 Cb 0.39 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.30 3ix4 h TRP 19 CO 0.03 0.20 0.39 0.66 -2.79 0.00 0.00 178.44 176.93 3ix4 h SER 20 N 0.44 0.76 -0.65 2.65 4.64 -0.71 -0.84 113.55 119.84 3ix4 h SER 20 Ca 0.19 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 3ix4 h SER 20 Cb 0.09 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 3ix4 h SER 20 CO -0.13 0.59 0.31 0.00 -0.87 0.00 0.00 176.83 176.73 3ix4 h ALA 21 N 1.20 0.84 -0.23 5.18 0.00 -0.58 -0.86 119.26 124.81 3ix4 h ALA 21 Ca 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ix4 h ALA 21 Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3ix4 h ALA 21 CO -0.04 0.41 0.09 0.82 0.00 0.00 0.00 179.25 180.53 3ix4 h ILE 22 N 0.90 1.17 -0.30 0.00 2.04 -0.71 -2.10 117.51 118.51 3ix4 h ILE 22 Ca 0.22 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3ix4 h ILE 22 Cb 0.13 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3ix4 h ILE 22 CO -0.03 0.17 0.08 0.25 0.00 0.00 0.00 178.15 178.63 3ix4 h LEU 23 N 0.22 0.45 -0.98 1.44 5.85 -0.99 -1.62 115.31 119.68 3ix4 h LEU 23 Ca 0.08 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.62 3ix4 h LEU 23 Cb 0.18 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 3ix4 h LEU 23 CO -0.01 0.55 0.64 1.56 -0.34 0.00 0.00 178.44 180.84 3ix4 h GLN 24 N 0.33 1.19 -0.25 1.25 4.20 -1.14 -1.86 115.11 118.83 3ix4 h GLN 24 Ca 0.10 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 3ix4 h GLN 24 Cb 0.27 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3ix4 h GLN 24 CO -0.00 0.79 -0.16 -0.22 -0.67 0.00 0.00 178.83 178.56 3ix4 h LYS 25 N 1.23 0.55 -0.73 1.46 3.64 -1.10 0.13 116.57 121.74 3ix4 h LYS 25 Ca 0.40 -0.26 0.08 0.00 -1.27 0.00 0.00 60.65 59.60 3ix4 h LYS 25 Cb 0.03 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.78 3ix4 h LYS 25 CO -0.13 0.83 0.39 0.52 -2.27 0.00 0.00 179.45 178.79 3ix4 h MET 26 N 0.26 0.66 -0.22 1.90 2.86 -1.02 0.52 114.93 119.89 3ix4 h MET 26 Ca 0.05 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3ix4 h MET 26 Cb 0.69 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 3ix4 h MET 26 CO 0.05 0.43 0.00 0.00 1.06 0.00 0.00 176.91 178.45 3ix4 h ALA 27 N 1.41 0.30 -0.24 6.32 0.00 -1.20 -1.75 119.26 124.10 3ix4 h ALA 27 Ca 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3ix4 h ALA 27 Cb 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3ix4 h ALA 27 CO -0.24 0.02 0.12 1.03 0.00 0.00 0.00 179.25 180.18 3ix4 h SER 28 N 0.15 0.31 -0.55 0.00 0.87 -0.48 -1.13 113.55 112.73 3ix4 h SER 28 Ca 0.06 -0.12 0.08 0.00 -1.23 0.00 0.00 61.79 60.58 3ix4 h SER 28 Cb 0.40 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 3ix4 h SER 28 CO 0.01 0.34 0.37 0.44 -0.53 0.00 0.00 176.83 177.46 3ix4 h ASP 29 N 0.26 0.39 1.76 6.23 3.32 0.02 -1.73 116.42 126.66 3ix4 h ASP 29 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3ix4 h ASP 29 Cb 0.11 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3ix4 h ASP 29 CO -0.01 0.25 0.00 0.25 -1.72 0.00 0.00 179.24 178.00 3ix4 h LEU 30 N 0.44 0.00 0.00 1.55 5.85 -0.83 -3.47 115.31 118.84 3ix4 h LEU 30 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3ix4 h LEU 30 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3ix4 h LEU 30 CO -0.07 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.64 3ix4 n GLY 31 N 0.91 0.99 3.89 3.75 0.00 -0.65 -5.00 105.19 109.08 3ix4 n GLY 31 Ca 0.03 0.00 -0.29 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 -1.90 3.53 -0.03 1.61 0.40 -0.48 -4.76 117.98 116.34 3ix4 s PHE 32 Ca 0.00 1.04 -0.03 0.00 -0.60 0.00 0.00 56.93 57.34 3ix4 s PHE 32 Cb 0.00 -2.64 -0.01 0.00 0.51 0.00 0.00 43.02 40.88 3ix4 s PHE 32 CO 0.00 -0.64 -0.05 -1.13 0.70 0.00 0.00 175.22 174.09 3ix4 n SER 33 N -2.61 0.30 -4.54 1.36 3.41 0.23 -3.93 113.62 107.83 3ix4 n SER 33 Ca 0.04 0.07 -0.29 0.00 -0.26 0.00 0.00 58.87 58.43 3ix4 n SER 33 Cb 0.55 -0.54 -0.10 0.00 -0.26 0.00 0.00 64.21 63.86 3ix4 n SER 33 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3ix4 s LYS 34 N -1.29 1.98 0.06 4.33 -0.14 -1.25 -4.81 119.74 118.63 3ix4 s LYS 34 Ca -0.04 -1.11 0.01 0.00 -1.36 0.00 0.00 55.97 53.47 3ix4 s LYS 34 Cb 0.01 -2.22 -0.03 0.00 -1.68 0.00 0.00 37.83 33.91 3ix4 s LYS 34 CO 0.06 0.49 -0.06 0.96 -0.76 0.00 0.00 175.35 176.04 3ix4 s ILE 35 N -1.24 0.46 -0.05 2.17 -4.36 -1.26 -0.54 121.20 116.38 3ix4 s ILE 35 Ca 0.20 -1.39 -0.02 0.00 -0.26 0.00 0.00 60.65 59.19 3ix4 s ILE 35 Cb -0.11 -0.98 0.03 0.00 1.25 0.00 0.00 42.46 42.66 3ix4 s ILE 35 CO 0.13 -0.63 0.04 -0.22 0.24 0.00 0.00 174.94 174.49 3ix4 s LEU 36 N -2.16 0.37 -0.26 0.37 0.20 -0.25 -1.89 118.68 115.07 3ix4 s LEU 36 Ca -0.03 0.02 -0.08 0.00 0.69 0.00 0.00 54.13 54.74 3ix4 s LEU 36 Cb -0.03 -0.24 -0.02 0.00 -0.43 0.00 0.00 46.19 45.46 3ix4 s LEU 36 CO -0.03 -0.22 0.09 0.12 -0.29 0.00 0.00 176.35 176.02 3ix4 s PHE 37 N 2.00 3.11 -0.03 5.38 5.36 0.88 -1.01 117.98 133.67 3ix4 s PHE 37 Ca 0.04 -0.48 0.07 0.00 -0.96 0.00 0.00 56.93 55.59 3ix4 s PHE 37 Cb -0.12 -2.26 -0.01 0.00 -0.34 0.00 0.00 43.02 40.28 3ix4 s PHE 37 CO -0.04 -0.39 -0.23 0.20 -1.46 0.00 0.00 175.22 173.30 3ix4 s GLY 38 N 1.61 1.17 -0.04 13.12 0.00 -0.19 -0.52 107.32 122.47 3ix4 s GLY 38 Ca 0.06 -0.99 -0.03 0.00 0.00 0.00 0.00 44.72 43.76 3ix4 s GLY 38 CO 0.04 -0.72 0.10 -2.27 0.00 0.00 0.00 173.10 170.25 3ix4 s LEU 39 N -0.36 1.24 0.15 0.66 2.96 0.62 -1.18 118.68 122.78 3ix4 s LEU 39 Ca 0.04 0.21 0.10 0.00 -0.22 0.00 0.00 54.13 54.26 3ix4 s LEU 39 Cb -0.11 0.29 -0.04 0.00 0.50 0.00 0.00 46.19 46.83 3ix4 s LEU 39 CO 0.01 -0.09 -0.20 -0.76 -1.32 0.00 0.00 176.35 173.99 3ix4 s LEU 40 N 0.58 2.58 0.77 -0.68 1.43 0.17 -0.86 118.68 122.67 3ix4 s LEU 40 Ca -0.04 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.24 3ix4 s LEU 40 Cb -0.06 -1.38 0.05 0.00 0.03 0.00 0.00 46.19 44.83 3ix4 s LEU 40 CO -0.02 0.15 1.14 -2.16 0.23 0.00 0.00 176.35 175.69 3ix4 s PRO 41 N -2.41 2.34 0.09 1.29 0.04 -1.26 -1.15 135.00 133.94 3ix4 s PRO 41 Ca 0.19 0.25 -0.36 0.00 0.04 0.00 0.00 61.00 61.12 3ix4 s PRO 41 Cb -0.09 -1.98 -0.18 0.00 0.04 0.00 0.00 34.50 32.29 3ix4 s PRO 41 CO 0.10 -1.36 1.12 1.17 0.04 0.00 0.00 177.00 178.07 3ix4 n LYS 42 N -3.19 0.65 -0.37 4.56 4.81 -1.24 -1.93 118.16 121.45 3ix4 n LYS 42 Ca 0.08 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 3ix4 n LYS 42 Cb 0.59 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.92 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 1.99 0.00 -4.77 3.14 8.00 -1.26 -4.99 116.55 118.65 3ix4 n ASP 43 Ca 0.18 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.29 3ix4 n ASP 43 Cb 0.17 -0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 40.84 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 -3.28 7.45 -0.13 -2.24 0.15 -0.81 -4.94 113.70 109.90 3ix4 s SER 44 Ca 0.00 1.73 0.15 0.00 0.70 0.00 0.00 55.95 58.53 3ix4 s SER 44 Cb 0.00 -2.53 0.29 0.00 -1.71 0.00 0.00 66.02 62.07 3ix4 s SER 44 CO 0.00 0.19 1.15 1.67 1.20 0.00 0.00 173.24 177.45 3ix4 n GLN 45 N 1.52 1.14 -2.30 5.44 7.27 -1.26 -4.87 117.38 124.32 3ix4 n GLN 45 Ca -0.04 -2.53 -0.41 0.00 0.07 0.00 0.00 57.00 54.08 3ix4 n GLN 45 Cb 0.48 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 31.80 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 -1.10 6.60 0.09 1.69 2.03 -1.26 -4.78 116.55 119.81 3ix4 n ASP 46 Ca 0.14 -3.21 0.13 0.00 0.52 0.00 0.00 54.79 52.38 3ix4 n ASP 46 Cb 0.68 -1.38 0.63 0.00 -0.72 0.00 0.00 41.12 40.33 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 5.13 0.10 0.00 -0.67 -1.99 -1.99 0.42 116.97 117.96 3ix4 h TYR 47 Ca 0.51 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.24 3ix4 h TYR 47 Cb 0.47 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.17 3ix4 h TYR 47 CO 1.37 0.05 0.00 0.39 -0.00 0.00 0.00 178.16 179.97 3ix4 n GLU 48 N -4.46 0.02 -0.62 4.88 1.02 -1.26 -2.97 120.64 117.25 3ix4 n GLU 48 Ca 0.04 0.20 0.06 0.00 -0.02 0.00 0.00 57.16 57.44 3ix4 n GLU 48 Cb 0.34 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.37 3ix4 n GLU 48 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ix4 n ASN 49 N -1.48 1.44 -4.74 1.62 3.02 0.12 -5.08 115.26 110.16 3ix4 n ASN 49 Ca 0.05 -2.94 -0.31 0.00 -0.03 0.00 0.00 54.58 51.34 3ix4 n ASN 49 Cb 0.20 -0.39 0.11 0.00 -0.61 0.00 0.00 39.78 39.08 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 -1.89 2.01 -0.29 5.41 0.00 -1.12 -4.97 121.76 120.90 3ix4 s ALA 50 Ca 0.29 0.39 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 3ix4 s ALA 50 Cb 0.28 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 20.07 3ix4 s ALA 50 CO -0.05 -2.07 1.21 0.12 0.00 0.00 0.00 175.76 174.97 3ix4 s PHE 51 N -2.79 2.88 -0.04 0.00 5.36 -0.04 -4.89 117.98 118.45 3ix4 s PHE 51 Ca 0.63 1.01 0.04 0.00 -0.96 0.00 0.00 56.93 57.65 3ix4 s PHE 51 Cb -0.19 -3.79 -0.00 0.00 -0.34 0.00 0.00 43.02 38.70 3ix4 s PHE 51 CO 0.56 -1.34 -0.17 0.42 -1.46 0.00 0.00 175.22 173.22 3ix4 s ILE 52 N 4.00 1.45 -0.01 3.12 1.01 -1.26 -0.27 121.20 129.24 3ix4 s ILE 52 Ca 0.52 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.48 3ix4 s ILE 52 Cb -0.15 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 3ix4 s ILE 52 CO 0.19 0.42 -0.12 -0.69 0.00 0.00 0.00 174.94 174.74 3ix4 s VAL 53 N 0.05 0.98 -5.00 2.92 1.01 0.32 -4.99 120.40 115.69 3ix4 s VAL 53 Ca -0.04 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3ix4 s VAL 53 Cb -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.45 3ix4 s VAL 53 CO 0.02 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.01 3ix4 n GLY 54 N 2.77 0.81 0.47 4.51 0.00 -1.26 -0.08 105.19 112.41 3ix4 n GLY 54 Ca -0.14 -1.85 0.07 0.00 0.00 0.00 0.00 46.02 44.10 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 2.58 1.81 -4.77 1.61 0.23 -0.79 -5.01 115.26 110.92 3ix4 n ASN 55 Ca 0.00 -3.40 -0.41 0.00 -0.53 0.00 0.00 54.58 50.24 3ix4 n ASN 55 Cb 0.00 -0.46 -0.00 0.00 -2.08 0.00 0.00 39.78 37.23 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 -1.07 2.99 -1.58 -2.53 0.53 -1.23 -4.77 117.16 109.49 3ix4 n TYR 56 Ca 0.16 0.39 -0.53 0.00 -1.02 0.00 0.00 57.90 56.90 3ix4 n TYR 56 Cb 0.70 -2.56 -0.06 0.00 -1.03 0.00 0.00 39.34 36.39 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 0.89 0.98 -0.34 -0.72 -0.02 -1.26 -4.83 135.00 129.70 3ix4 n PRO 57 Ca 0.03 0.35 0.02 0.00 -2.02 0.00 0.00 63.50 61.88 3ix4 n PRO 57 Cb 0.38 -1.98 0.18 0.00 -0.02 0.00 0.00 33.50 32.07 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 4.47 1.41 -0.18 3.55 0.00 -1.99 -1.06 119.26 125.45 3ix4 h ALA 58 Ca -0.48 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 3ix4 h ALA 58 Cb 1.35 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3ix4 h ALA 58 CO 0.77 0.48 -0.11 0.00 0.00 0.00 0.00 179.25 180.40 3ix4 h ALA 59 N 1.45 1.48 -0.17 0.00 0.00 -1.99 -0.50 119.26 119.54 3ix4 h ALA 59 Ca 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3ix4 h ALA 59 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3ix4 h ALA 59 CO -0.13 0.37 -0.02 2.35 0.00 0.00 0.00 179.25 181.81 3ix4 h TRP 60 N 0.27 0.34 -0.98 0.00 2.91 -1.57 -0.71 115.95 116.21 3ix4 h TRP 60 Ca 0.06 -0.07 0.00 0.00 1.13 0.00 0.00 58.89 60.01 3ix4 h TRP 60 Cb 0.37 -0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 28.88 3ix4 h TRP 60 CO 0.01 0.55 0.62 0.00 -1.03 0.00 0.00 178.44 178.59 3ix4 h ARG 61 N 0.04 1.31 -0.40 2.65 3.08 -1.07 0.13 114.38 120.11 3ix4 h ARG 61 Ca 0.05 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3ix4 h ARG 61 Cb 0.43 -0.29 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3ix4 h ARG 61 CO 0.01 0.89 0.16 0.93 -1.07 0.00 0.00 179.97 180.89 3ix4 h GLU 62 N 1.34 0.60 -0.31 0.04 5.08 -1.05 -2.40 114.58 117.88 3ix4 h GLU 62 Ca 0.36 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 3ix4 h GLU 62 Cb -0.11 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3ix4 h GLU 62 CO -0.07 0.57 0.15 1.25 -1.00 0.00 0.00 179.01 179.91 3ix4 h HIS 63 N 0.51 0.46 -0.51 4.33 2.76 -0.68 -1.21 115.15 120.79 3ix4 h HIS 63 Ca 0.13 -0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.37 3ix4 h HIS 63 Cb 0.19 -0.14 -0.07 0.00 1.55 0.00 0.00 27.41 28.94 3ix4 h HIS 63 CO -0.00 0.41 0.12 -0.92 -1.30 0.00 0.00 177.93 176.24 3ix4 h TYR 64 N 0.37 0.21 -0.11 5.26 3.20 -0.68 0.14 116.97 125.36 3ix4 h TYR 64 Ca 0.11 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3ix4 h TYR 64 Cb 0.12 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 3ix4 h TYR 64 CO -0.02 0.02 0.03 -0.44 -1.64 0.00 0.00 178.16 176.11 3ix4 h ASP 65 N 0.27 0.16 -0.42 -2.11 3.32 -1.29 -2.09 116.42 114.26 3ix4 h ASP 65 Ca 0.26 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 57.12 3ix4 h ASP 65 Cb 0.33 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3ix4 h ASP 65 CO -0.32 0.33 0.25 -0.09 -1.72 0.00 0.00 179.24 177.69 3ix4 h ARG 66 N -0.02 0.48 -0.00 3.56 2.43 -0.76 -2.85 114.38 117.22 3ix4 h ARG 66 Ca 0.03 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3ix4 h ARG 66 Cb 0.23 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3ix4 h ARG 66 CO -0.00 0.32 -0.05 0.00 -1.51 0.00 0.00 179.97 178.73 3ix4 n ALA 67 N -2.25 2.67 -3.03 2.80 0.00 0.45 -4.92 120.51 116.22 3ix4 n ALA 67 Ca 0.02 -0.24 -0.19 0.00 0.00 0.00 0.00 53.44 53.03 3ix4 n ALA 67 Cb 0.06 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.32 0.31 0.00 0.00 -1.04 -4.92 105.19 100.44 3ix4 n GLY 68 Ca 0.17 0.01 0.21 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.46 0.00 -0.43 1.61 0.05 -1.66 -2.33 116.97 112.75 3ix4 h TYR 69 Ca -0.45 0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.42 3ix4 h TYR 69 Cb 1.31 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.03 3ix4 h TYR 69 CO 0.43 0.00 0.30 0.00 -1.05 0.00 0.00 178.16 177.84 3ix4 h ALA 70 N 2.00 2.17 0.00 3.88 0.00 -1.91 0.47 119.26 125.86 3ix4 h ALA 70 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3ix4 h ALA 70 Cb 0.20 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ix4 h ALA 70 CO 0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 179.25 178.81 3ix4 h ARG 71 N 0.18 0.00 0.00 0.00 3.08 -1.81 -3.34 114.38 112.48 3ix4 h ARG 71 Ca 0.20 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 3ix4 h ARG 71 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.61 3ix4 h ARG 71 CO -0.03 0.16 -1.03 1.33 -1.07 0.00 0.00 179.97 179.33 3ix4 n VAL 72 N -3.62 0.01 -1.60 2.04 0.24 -0.33 -5.00 118.33 110.06 3ix4 n VAL 72 Ca -0.01 -0.02 -0.50 0.00 -2.04 0.00 0.00 64.34 61.77 3ix4 n VAL 72 Cb 0.29 0.17 -0.06 0.00 -1.47 0.00 0.00 33.84 32.78 3ix4 n VAL 72 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3ix4 n ASP 73 N -1.63 2.83 0.29 -1.34 -0.08 0.15 -4.80 116.55 111.98 3ix4 n ASP 73 Ca -0.00 0.73 0.18 0.00 -1.51 0.00 0.00 54.79 54.18 3ix4 n ASP 73 Cb 0.12 -1.32 0.86 0.00 2.34 0.00 0.00 41.12 43.12 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 10.53 0.00 0.00 -0.67 0.13 -1.89 -2.07 132.00 138.03 3ix4 h PRO 74 Ca -0.40 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.59 3ix4 h PRO 74 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 3ix4 h PRO 74 CO 0.98 0.04 -0.66 1.79 -0.23 0.00 0.00 178.00 179.91 3ix4 h THR 75 N 0.00 1.46 0.25 1.56 1.35 -1.92 -2.41 112.91 113.19 3ix4 h THR 75 Ca -0.00 -2.28 -0.01 0.00 -0.55 0.00 0.00 66.41 63.57 3ix4 h THR 75 Cb 0.32 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 3ix4 h THR 75 CO 0.00 0.65 -0.12 0.58 -0.25 0.00 0.00 175.52 176.38 3ix4 h VAL 76 N 0.00 0.81 -0.75 6.82 2.07 -1.69 -1.56 116.25 121.95 3ix4 h VAL 76 Ca -0.01 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3ix4 h VAL 76 Cb 1.18 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 3ix4 h VAL 76 CO 0.09 0.12 0.46 0.77 0.02 0.00 0.00 177.57 179.03 3ix4 h SER 77 N -0.62 0.88 -0.76 0.57 4.64 -1.61 -2.28 113.55 114.36 3ix4 h SER 77 Ca -0.03 -0.04 0.01 0.00 -0.47 0.00 0.00 61.79 61.26 3ix4 h SER 77 Cb 0.44 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.28 3ix4 h SER 77 CO 0.06 0.66 0.50 -0.74 -0.87 0.00 0.00 176.83 176.44 3ix4 h HIS 78 N 1.02 0.95 0.00 4.77 6.17 -1.34 -2.67 115.15 124.06 3ix4 h HIS 78 Ca 0.27 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.33 3ix4 h HIS 78 Cb -0.07 -0.32 -0.01 0.00 2.52 0.00 0.00 27.41 29.53 3ix4 h HIS 78 CO 0.00 0.59 -0.20 0.00 0.71 0.00 0.00 177.93 179.04 3ix4 h THR 80 N 0.00 0.00 0.00 0.00 1.35 -1.25 -3.32 112.91 109.69 3ix4 h THR 80 Ca -0.00 -0.65 -0.09 0.00 -0.55 0.00 0.00 66.41 65.12 3ix4 h THR 80 Cb 0.42 1.65 -0.02 0.00 -1.73 0.00 0.00 68.15 68.47 3ix4 h THR 80 CO 0.03 0.00 -1.79 0.00 -0.25 0.00 0.00 175.52 173.51 3ix4 n GLN 81 N -3.09 0.87 -3.94 4.72 6.02 -0.63 -5.07 117.38 116.27 3ix4 n GLN 81 Ca 0.02 -0.09 -0.09 0.00 -0.01 0.00 0.00 57.00 56.82 3ix4 n GLN 81 Cb 0.37 -1.36 -0.09 0.00 1.02 0.00 0.00 30.24 30.18 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 -4.08 0.21 0.00 1.08 0.15 -0.50 -5.02 113.70 105.54 3ix4 s SER 82 Ca -0.06 -0.64 0.21 0.00 0.70 0.00 0.00 55.95 56.16 3ix4 s SER 82 Cb 0.08 0.26 0.15 0.00 -1.71 0.00 0.00 66.02 64.80 3ix4 s SER 82 CO 0.61 -0.59 1.16 1.33 1.20 0.00 0.00 173.24 176.95 3ix4 n VAL 83 N 0.42 0.00 -3.48 4.45 0.24 -1.26 -4.62 118.33 114.07 3ix4 n VAL 83 Ca -0.17 -0.48 -0.30 0.00 -2.04 0.00 0.00 64.34 61.34 3ix4 n VAL 83 Cb 0.60 1.42 -0.04 0.00 -1.47 0.00 0.00 33.84 34.35 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 -1.80 4.16 0.64 1.34 1.43 -1.26 -4.59 118.68 118.60 3ix4 s LEU 84 Ca 0.24 0.71 -0.18 0.00 -1.03 0.00 0.00 54.13 53.87 3ix4 s LEU 84 Cb 0.17 -3.49 -0.01 0.00 0.03 0.00 0.00 46.19 42.90 3ix4 s LEU 84 CO 0.28 -0.08 1.26 -2.84 0.23 0.00 0.00 176.35 175.21 3ix4 s PRO 85 N -3.07 2.62 -0.20 1.29 0.02 -1.26 -4.41 135.00 129.99 3ix4 s PRO 85 Ca 0.44 1.97 0.01 0.00 0.02 0.00 0.00 61.00 63.44 3ix4 s PRO 85 Cb -0.11 -1.87 0.03 0.00 0.02 0.00 0.00 34.50 32.57 3ix4 s PRO 85 CO 0.26 -1.52 -0.16 -1.50 -0.33 0.00 0.00 177.00 173.74 3ix4 s ILE 86 N -1.51 2.02 0.25 2.83 2.07 -0.42 -4.99 121.20 121.46 3ix4 s ILE 86 Ca 0.80 -1.10 -0.26 0.00 -1.41 0.00 0.00 60.65 58.68 3ix4 s ILE 86 Cb -0.35 -1.93 -0.09 0.00 0.13 0.00 0.00 42.46 40.22 3ix4 s ILE 86 CO 0.38 0.36 0.87 -0.36 -1.91 0.00 0.00 174.94 174.28 3ix4 s PHE 87 N 1.26 3.80 -1.27 3.50 0.40 -1.26 -0.86 117.98 123.56 3ix4 s PHE 87 Ca 0.01 1.71 -0.18 0.00 -0.60 0.00 0.00 56.93 57.86 3ix4 s PHE 87 Cb -0.15 -2.85 0.02 0.00 0.51 0.00 0.00 43.02 40.55 3ix4 s PHE 87 CO -0.10 0.36 1.89 0.91 0.70 0.00 0.00 175.22 178.97 3ix4 n TRP 88 N 1.03 3.86 -4.06 0.36 8.01 0.06 -4.88 117.44 121.81 3ix4 n TRP 88 Ca -0.01 -2.52 -0.32 0.00 -1.31 0.00 0.00 57.50 53.33 3ix4 n TRP 88 Cb 0.49 -2.55 -0.07 0.00 -2.01 0.00 0.00 31.31 27.18 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 4.52 3.09 0.55 -0.99 0.41 -1.26 -4.60 118.70 120.42 3ix4 s GLU 89 Ca 0.56 -0.50 0.36 0.00 -0.41 0.00 0.00 54.97 54.98 3ix4 s GLU 89 Cb 0.06 -2.87 1.53 0.00 -1.78 0.00 0.00 34.13 31.07 3ix4 s GLU 89 CO 0.06 0.63 1.79 -1.35 -0.49 0.00 0.00 175.26 175.91 3ix4 h PRO 90 N 3.89 0.00 0.00 0.39 0.11 -1.95 -1.06 132.00 133.38 3ix4 h PRO 90 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ix4 h PRO 90 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ix4 h PRO 90 CO 0.64 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.09 3ix4 h SER 91 N 0.00 0.00 1.25 -2.05 4.64 -1.95 -2.76 113.55 112.68 3ix4 h SER 91 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3ix4 h SER 91 Cb 2.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.31 3ix4 h SER 91 CO -0.01 0.00 -0.19 2.30 -0.87 0.00 0.00 176.83 178.06 3ix4 n ILE 92 N -3.06 0.48 -3.30 0.95 -5.35 -0.40 -4.50 119.36 104.18 3ix4 n ILE 92 Ca -0.00 -0.26 -0.46 0.00 -0.27 0.00 0.00 62.75 61.76 3ix4 n ILE 92 Cb 0.24 -0.43 -0.05 0.00 -1.74 0.00 0.00 39.64 37.66 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 -3.11 3.29 -0.17 4.28 1.51 -1.04 -4.73 117.35 117.38 3ix4 s TYR 93 Ca 0.10 -1.34 -0.07 0.00 -1.01 0.00 0.00 57.07 54.74 3ix4 s TYR 93 Cb 0.13 -3.82 -0.08 0.00 -0.11 0.00 0.00 41.96 38.09 3ix4 s TYR 93 CO 0.63 -1.04 -0.20 1.04 -1.11 0.00 0.00 175.55 174.87 3ix4 n GLN 94 N 5.19 0.36 -1.61 -0.62 6.02 -1.26 -4.69 117.38 120.77 3ix4 n GLN 94 Ca -0.11 0.14 -0.31 0.00 -0.01 0.00 0.00 57.00 56.71 3ix4 n GLN 94 Cb 0.41 -1.13 0.05 0.00 1.02 0.00 0.00 30.24 30.59 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 -2.31 3.88 0.27 5.09 -4.23 -1.26 -4.88 115.64 112.20 3ix4 s THR 95 Ca -0.23 0.66 -0.03 0.00 -1.18 0.00 0.00 61.69 60.91 3ix4 s THR 95 Cb 0.08 -3.32 0.27 0.00 1.34 0.00 0.00 72.50 70.87 3ix4 s THR 95 CO 0.30 -0.75 1.90 -0.09 -0.54 0.00 0.00 174.62 175.45 3ix4 h ARG 96 N -0.58 1.17 -0.71 3.99 2.43 -1.99 -1.14 114.38 117.55 3ix4 h ARG 96 Ca -0.44 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 3ix4 h ARG 96 Cb 1.22 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.47 3ix4 h ARG 96 CO 0.56 0.77 0.40 0.87 -1.51 0.00 0.00 179.97 181.06 3ix4 h LYS 97 N 1.21 0.98 -0.03 0.20 1.79 -1.99 -1.43 116.57 117.29 3ix4 h LYS 97 Ca 0.41 -0.10 -0.12 0.00 -2.18 0.00 0.00 60.65 58.66 3ix4 h LYS 97 Cb 0.07 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 3ix4 h LYS 97 CO -0.14 0.71 -0.53 1.96 -1.08 0.00 0.00 179.45 180.37 3ix4 h GLN 98 N 0.99 0.08 -0.50 3.15 4.20 -1.62 -0.60 115.11 120.80 3ix4 h GLN 98 Ca 0.25 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 3ix4 h GLN 98 Cb 0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3ix4 h GLN 98 CO -0.04 0.59 0.20 0.45 -0.67 0.00 0.00 178.83 179.36 3ix4 h HIS 99 N 0.06 0.77 -0.10 2.96 3.86 -0.69 -0.14 115.15 121.87 3ix4 h HIS 99 Ca -0.00 -0.06 0.03 0.00 -1.16 0.00 0.00 60.37 59.17 3ix4 h HIS 99 Cb 0.96 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 29.17 3ix4 h HIS 99 CO 0.01 0.64 -0.06 0.93 0.86 0.00 0.00 177.93 180.31 3ix4 h GLU 100 N 0.67 -0.06 -0.33 2.45 5.08 -0.95 -0.98 114.58 120.46 3ix4 h GLU 100 Ca 0.17 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 3ix4 h GLU 100 Cb 0.20 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.41 3ix4 h GLU 100 CO -0.01 -0.04 -0.03 0.35 -1.00 0.00 0.00 179.01 178.28 3ix4 h PHE 101 N -0.06 -0.07 -0.79 4.33 3.57 -0.94 0.01 116.94 122.99 3ix4 h PHE 101 Ca 0.06 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.65 3ix4 h PHE 101 Cb 0.15 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 3ix4 h PHE 101 CO -0.18 -0.09 0.47 0.35 -2.23 0.00 0.00 178.31 176.63 3ix4 h PHE 102 N 0.06 0.86 -0.41 0.41 3.57 -0.80 0.85 116.94 121.48 3ix4 h PHE 102 Ca 0.16 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3ix4 h PHE 102 Cb 0.23 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3ix4 h PHE 102 CO -0.26 0.41 0.17 0.93 -2.23 0.00 0.00 178.31 177.33 3ix4 h GLU 103 N 0.84 0.61 -0.52 1.11 5.08 -0.30 -0.67 114.58 120.74 3ix4 h GLU 103 Ca 0.35 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.48 3ix4 h GLU 103 Cb 0.21 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3ix4 h GLU 103 CO -0.19 0.57 -0.14 0.93 -1.00 0.00 0.00 179.01 179.18 3ix4 h GLU 104 N 0.52 1.00 -0.69 2.33 4.39 -0.53 -2.22 114.58 119.39 3ix4 h GLU 104 Ca 0.14 -0.38 -0.07 0.00 0.34 0.00 0.00 59.36 59.38 3ix4 h GLU 104 Cb 0.19 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3ix4 h GLU 104 CO -0.01 1.06 0.14 0.00 -1.16 0.00 0.00 179.01 179.04 3ix4 h ALA 105 N 0.95 0.91 -0.91 3.43 0.00 -0.76 -2.77 119.26 120.11 3ix4 h ALA 105 Ca 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3ix4 h ALA 105 Cb 0.71 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3ix4 h ALA 105 CO 0.05 0.66 0.53 0.77 0.00 0.00 0.00 179.25 181.26 3ix4 h SER 106 N 1.05 1.11 -0.28 0.00 0.02 -0.91 -0.72 113.55 113.81 3ix4 h SER 106 Ca 0.21 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 3ix4 h SER 106 Cb 0.41 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3ix4 h SER 106 CO 0.01 0.86 0.12 0.00 -1.14 0.00 0.00 176.83 176.68 3ix4 h ALA 107 N 1.29 1.59 0.00 3.77 0.00 -1.22 -0.21 119.26 124.48 3ix4 h ALA 107 Ca 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ix4 h ALA 107 Cb -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3ix4 h ALA 107 CO -0.06 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.52 3ix4 n ALA 108 N -2.48 2.56 -0.52 0.00 0.00 -0.81 -4.87 120.51 114.38 3ix4 n ALA 108 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3ix4 n ALA 108 Cb 0.14 -1.40 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 0.76 0.73 3.19 0.00 0.00 -0.09 -4.84 105.19 104.95 3ix4 n GLY 109 Ca 0.18 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 5.74 0.00 0.99 1.43 -0.34 -4.83 118.68 121.67 3ix4 s LEU 110 Ca 0.00 -2.45 0.00 0.00 -1.03 0.00 0.00 54.13 50.65 3ix4 s LEU 110 Cb 0.00 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3ix4 s LEU 110 CO 0.00 -0.54 0.00 0.55 0.23 0.00 0.00 176.35 176.59 3ix4 n VAL 111 N 4.14 0.00 -4.14 -1.59 3.14 -1.26 -3.15 118.33 115.47 3ix4 n VAL 111 Ca 0.03 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.06 3ix4 n VAL 111 Cb 0.41 -1.33 -0.08 0.00 -1.06 0.00 0.00 33.84 31.77 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 -1.99 3.32 -5.00 1.45 4.12 -1.26 -4.87 117.35 113.12 3ix4 s TYR 112 Ca 0.00 0.27 0.00 0.00 0.02 0.00 0.00 57.07 57.36 3ix4 s TYR 112 Cb 0.00 -1.90 0.00 0.00 -1.52 0.00 0.00 41.96 38.54 3ix4 s TYR 112 CO 0.00 0.49 0.00 0.41 0.02 0.00 0.00 175.55 176.47 3ix4 n GLY 113 N 2.38 -0.50 3.40 0.71 0.00 -1.26 0.17 105.19 110.09 3ix4 n GLY 113 Ca -0.19 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.29 -0.14 0.99 2.34 -0.74 -0.76 118.68 120.08 3ix4 s LEU 114 Ca 0.00 -0.10 0.01 0.00 0.06 0.00 0.00 54.13 54.10 3ix4 s LEU 114 Cb 0.00 2.38 0.02 0.00 -0.56 0.00 0.00 46.19 48.03 3ix4 s LEU 114 CO 0.00 -0.94 -0.15 -0.89 -1.06 0.00 0.00 176.35 173.31 3ix4 s THR 115 N -3.77 1.58 -0.34 5.48 2.01 -0.04 -1.51 115.64 119.05 3ix4 s THR 115 Ca 0.02 -0.65 -0.18 0.00 0.31 0.00 0.00 61.69 61.19 3ix4 s THR 115 Cb -0.00 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 3ix4 s THR 115 CO -0.12 0.46 0.49 -0.04 -0.69 0.00 0.00 174.62 174.72 3ix4 s MET 116 N 1.34 3.64 0.54 4.92 1.00 0.30 -1.29 119.30 129.74 3ix4 s MET 116 Ca 0.02 -0.17 -0.22 0.00 0.00 0.00 0.00 55.69 55.32 3ix4 s MET 116 Cb -0.13 -3.80 -0.05 0.00 0.00 0.00 0.00 34.83 30.85 3ix4 s MET 116 CO -0.08 -0.61 1.34 -2.14 0.00 0.00 0.00 175.02 173.53 3ix4 s PRO 117 N 2.34 3.21 -0.13 2.03 0.02 -1.26 -0.66 135.00 140.53 3ix4 s PRO 117 Ca 0.18 2.19 0.02 0.00 0.02 0.00 0.00 61.00 63.41 3ix4 s PRO 117 Cb -0.16 -2.28 0.01 0.00 0.02 0.00 0.00 34.50 32.10 3ix4 s PRO 117 CO 0.13 -1.12 -0.20 -0.51 -0.33 0.00 0.00 177.00 174.97 3ix4 s LEU 118 N -3.47 1.99 -0.23 -5.54 1.43 0.31 -4.84 118.68 108.34 3ix4 s LEU 118 Ca 0.71 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 3ix4 s LEU 118 Cb -0.39 -1.34 0.06 0.00 0.03 0.00 0.00 46.19 44.55 3ix4 s LEU 118 CO 0.46 0.06 -0.01 -1.00 0.23 0.00 0.00 176.35 176.09 3ix4 s HIS 119 N 0.90 1.88 0.64 0.29 3.76 -1.26 -0.79 115.29 120.71 3ix4 s HIS 119 Ca -0.06 -1.47 -0.09 0.00 -0.15 0.00 0.00 55.06 53.30 3ix4 s HIS 119 Cb -0.15 -1.43 0.01 0.00 1.11 0.00 0.00 32.58 32.12 3ix4 s HIS 119 CO -0.03 -0.73 0.99 0.20 -0.85 0.00 0.00 174.74 174.32 3ix4 s GLY 120 N 1.57 1.61 0.62 -2.22 0.00 -0.33 -4.95 107.32 103.62 3ix4 s GLY 120 Ca -0.02 -0.50 0.38 0.00 0.00 0.00 0.00 44.72 44.57 3ix4 s GLY 120 CO -0.08 -0.19 2.26 0.00 0.00 0.00 0.00 173.10 175.09 3ix4 h ALA 121 N -0.38 1.17 -0.33 3.20 0.00 -1.98 -2.36 119.26 118.57 3ix4 h ALA 121 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3ix4 h ALA 121 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ix4 h ALA 121 CO 0.62 0.02 0.00 0.54 0.00 0.00 0.00 179.25 180.43 3ix4 n ARG 122 N -3.35 3.23 -0.48 0.00 1.74 -1.26 -4.93 116.66 111.61 3ix4 n ARG 122 Ca -0.02 -2.79 0.00 0.00 -0.77 0.00 0.00 57.85 54.26 3ix4 n ARG 122 Cb 0.12 -1.84 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 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 -0.14 0.75 3.69 -0.13 0.00 -0.89 -4.49 105.19 103.97 3ix4 n GLY 123 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.20 2.12 -5.21 1.61 4.71 -1.26 -3.68 120.64 116.73 3ix4 n GLU 124 Ca 0.00 0.75 -0.32 0.00 -0.01 0.00 0.00 57.16 57.58 3ix4 n GLU 124 Cb 0.00 -2.36 -0.17 0.00 -1.01 0.00 0.00 31.44 27.90 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 -0.59 2.11 0.00 -4.62 2.96 -0.30 -1.18 118.68 117.05 3ix4 s LEU 125 Ca 0.60 -0.55 -0.06 0.00 -0.22 0.00 0.00 54.13 53.90 3ix4 s LEU 125 Cb -0.59 -1.41 0.03 0.00 0.50 0.00 0.00 46.19 44.71 3ix4 s LEU 125 CO 0.57 0.16 0.37 0.61 -1.32 0.00 0.00 176.35 176.75 3ix4 n GLY 126 N 3.50 1.68 3.24 7.98 0.00 0.03 0.44 105.19 122.07 3ix4 n GLY 126 Ca -0.19 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.65 -0.85 -0.33 4.61 0.00 -0.32 -0.53 121.76 122.69 3ix4 s ALA 127 Ca 0.09 0.79 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 3ix4 s ALA 127 Cb -0.02 -0.37 0.07 0.00 0.00 0.00 0.00 23.12 22.79 3ix4 s ALA 127 CO 0.07 -0.20 0.06 -1.17 0.00 0.00 0.00 175.76 174.52 3ix4 s LEU 128 N -0.28 4.28 -0.13 0.00 2.96 0.16 -1.02 118.68 124.65 3ix4 s LEU 128 Ca -0.04 -1.49 -0.06 0.00 -0.22 0.00 0.00 54.13 52.32 3ix4 s LEU 128 Cb -0.03 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 3ix4 s LEU 128 CO 0.02 -0.34 0.07 -0.44 -1.32 0.00 0.00 176.35 174.35 3ix4 s SER 129 N 1.38 5.81 -0.04 3.68 0.01 -0.18 -0.54 113.70 123.83 3ix4 s SER 129 Ca -0.01 0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.51 3ix4 s SER 129 Cb -0.20 -1.85 0.02 0.00 0.21 0.00 0.00 66.02 64.20 3ix4 s SER 129 CO -0.02 0.33 -0.02 -0.76 0.41 0.00 0.00 173.24 173.18 3ix4 s LEU 130 N -0.57 1.19 0.09 2.44 1.02 -0.57 -1.09 118.68 121.18 3ix4 s LEU 130 Ca 0.11 -0.07 -0.01 0.00 0.02 0.00 0.00 54.13 54.18 3ix4 s LEU 130 Cb -0.12 -0.32 -0.04 0.00 0.02 0.00 0.00 46.19 45.73 3ix4 s LEU 130 CO 0.02 -0.09 0.26 -0.55 0.02 0.00 0.00 176.35 176.01 3ix4 s SER 131 N 1.04 6.39 -0.10 2.29 0.15 0.30 -1.78 113.70 121.99 3ix4 s SER 131 Ca -0.09 0.35 0.04 0.00 0.70 0.00 0.00 55.95 56.94 3ix4 s SER 131 Cb -0.14 -1.99 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 3ix4 s SER 131 CO -0.01 0.13 -0.21 -0.69 1.20 0.00 0.00 173.24 173.65 3ix4 s VAL 132 N -1.57 1.87 -0.20 4.45 1.01 0.13 -0.60 120.40 125.49 3ix4 s VAL 132 Ca 0.37 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 3ix4 s VAL 132 Cb -0.13 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3ix4 s VAL 132 CO 0.27 0.52 0.59 -1.61 0.00 0.00 0.00 175.10 174.87 3ix4 s GLU 133 N 0.45 4.20 0.22 2.72 2.02 -1.26 -4.21 118.70 122.84 3ix4 s GLU 133 Ca -0.17 0.54 -0.15 0.00 0.02 0.00 0.00 54.97 55.21 3ix4 s GLU 133 Cb -0.17 -3.58 0.01 0.00 0.10 0.00 0.00 34.13 30.49 3ix4 s GLU 133 CO 0.07 -0.21 0.49 0.00 0.02 0.00 0.00 175.26 175.63 3ix4 s ALA 134 N 1.84 -0.54 0.14 5.21 0.00 -1.26 -4.98 121.76 122.17 3ix4 s ALA 134 Ca 0.27 -0.61 -0.06 0.00 0.00 0.00 0.00 51.96 51.56 3ix4 s ALA 134 Cb -0.16 0.95 -0.06 0.00 0.00 0.00 0.00 23.12 23.85 3ix4 s ALA 134 CO 0.10 -0.83 1.35 0.93 0.00 0.00 0.00 175.76 177.31 3ix4 h GLU 135 N 2.25 0.54 -3.73 0.00 4.39 -1.96 -3.48 114.58 112.59 3ix4 h GLU 135 Ca -0.27 -0.48 -0.11 0.00 0.34 0.00 0.00 59.36 58.84 3ix4 h GLU 135 Cb 1.25 0.11 -0.08 0.00 -0.10 0.00 0.00 28.75 29.94 3ix4 h GLU 135 CO 0.36 1.11 -0.11 0.54 -1.16 0.00 0.00 179.01 179.76 3ix4 s ASN 136 N -7.07 0.18 0.28 1.42 6.03 -1.26 -5.07 114.94 109.45 3ix4 s ASN 136 Ca -0.07 -1.10 -0.04 0.00 -1.03 0.00 0.00 52.86 50.62 3ix4 s ASN 136 Cb 0.09 0.63 0.36 0.00 -3.03 0.00 0.00 41.25 39.30 3ix4 s ASN 136 CO 0.87 -1.23 1.94 -0.09 -2.03 0.00 0.00 177.10 176.57 3ix4 h ARG 137 N 2.20 1.18 -0.70 3.55 2.43 -1.98 -1.57 114.38 119.48 3ix4 h ARG 137 Ca -0.27 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 58.80 3ix4 h ARG 137 Cb 1.25 -0.26 -0.03 0.00 -0.42 0.00 0.00 29.97 30.50 3ix4 h ARG 137 CO 0.37 0.79 0.35 0.00 -1.51 0.00 0.00 179.97 179.98 3ix4 h ALA 138 N 1.43 0.90 -0.42 2.80 0.00 -1.98 0.38 119.26 122.37 3ix4 h ALA 138 Ca 0.32 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3ix4 h ALA 138 Cb -0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3ix4 h ALA 138 CO -0.07 0.45 -0.03 1.49 0.00 0.00 0.00 179.25 181.09 3ix4 h GLU 139 N 0.98 0.76 -0.46 0.00 4.81 -1.92 -0.89 114.58 117.85 3ix4 h GLU 139 Ca 0.24 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3ix4 h GLU 139 Cb 0.09 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3ix4 h GLU 139 CO -0.03 0.86 0.30 0.00 -0.73 0.00 0.00 179.01 179.41 3ix4 h ALA 140 N 0.88 0.59 -0.63 2.92 0.00 -0.82 -1.23 119.26 120.96 3ix4 h ALA 140 Ca 0.12 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3ix4 h ALA 140 Cb 0.53 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3ix4 h ALA 140 CO 0.03 0.04 0.11 -0.91 0.00 0.00 0.00 179.25 178.52 3ix4 h ASN 141 N 0.63 0.98 -0.33 0.00 2.35 -0.21 -1.30 115.58 117.69 3ix4 h ASN 141 Ca 0.17 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3ix4 h ASN 141 Cb -0.07 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.03 3ix4 h ASN 141 CO -0.04 0.97 0.22 0.03 -1.65 0.00 0.00 177.43 176.96 3ix4 h ARG 142 N 0.97 0.44 0.05 0.81 3.08 -0.79 -0.99 114.38 117.95 3ix4 h ARG 142 Ca 0.20 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 3ix4 h ARG 142 Cb 0.40 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3ix4 h ARG 142 CO 0.01 0.29 -0.03 0.35 -1.07 0.00 0.00 179.97 179.53 3ix4 h PHE 143 N 0.45 -0.07 -0.91 3.04 3.57 -1.12 -2.81 116.94 119.09 3ix4 h PHE 143 Ca 0.12 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.66 3ix4 h PHE 143 Cb -0.05 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.66 3ix4 h PHE 143 CO -0.05 0.02 0.59 0.52 -2.23 0.00 0.00 178.31 177.16 3ix4 h MET 144 N -0.14 1.11 -0.70 1.11 2.86 -1.05 -1.29 114.93 116.82 3ix4 h MET 144 Ca -0.01 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3ix4 h MET 144 Cb 0.12 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 3ix4 h MET 144 CO 0.01 0.73 0.41 1.49 1.06 0.00 0.00 176.91 180.61 3ix4 h GLU 145 N 1.14 0.96 0.00 1.72 4.81 -1.17 -0.74 114.58 121.29 3ix4 h GLU 145 Ca 0.36 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.44 3ix4 h GLU 145 Cb 0.01 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3ix4 h GLU 145 CO -0.12 0.69 -0.31 0.66 -0.73 0.00 0.00 179.01 179.20 3ix4 h SER 146 N 0.97 0.00 -0.01 1.04 4.64 -0.97 -3.19 113.55 116.02 3ix4 h SER 146 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 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 -0.04 0.31 -0.12 1.33 -0.87 0.00 0.00 176.83 177.43 3ix4 n VAL 147 N -3.66 0.00 -0.17 0.95 0.24 -1.01 -4.78 118.33 109.90 3ix4 n VAL 147 Ca -0.01 -0.44 -0.01 0.00 -2.04 0.00 0.00 64.34 61.84 3ix4 n VAL 147 Cb 0.42 1.19 0.08 0.00 -1.47 0.00 0.00 33.84 34.07 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 1.82 0.04 -0.98 1.34 5.85 -1.13 -0.73 115.31 121.52 3ix4 h LEU 148 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3ix4 h LEU 148 Cb 0.45 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 3ix4 h LEU 148 CO 0.00 0.04 0.63 -0.65 -0.34 0.00 0.00 178.44 178.12 3ix4 h PRO 149 N 0.27 1.31 -0.25 5.25 0.11 -1.86 0.21 132.00 137.03 3ix4 h PRO 149 Ca 0.27 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.26 3ix4 h PRO 149 Cb 0.37 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 3ix4 h PRO 149 CO -0.34 0.89 0.05 1.15 -0.21 0.00 0.00 178.00 179.53 3ix4 h THR 150 N 1.34 1.22 -0.97 -1.15 2.02 -1.75 -2.66 112.91 110.96 3ix4 h THR 150 Ca 0.36 -0.75 0.05 0.00 0.77 0.00 0.00 66.41 66.84 3ix4 h THR 150 Cb -0.12 1.24 -0.06 0.00 -1.74 0.00 0.00 68.15 67.47 3ix4 h THR 150 CO -0.07 0.24 0.63 0.25 0.37 0.00 0.00 175.52 176.94 3ix4 h LEU 151 N 0.22 1.03 -0.91 2.58 5.85 -0.77 -0.71 115.31 122.60 3ix4 h LEU 151 Ca 0.08 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3ix4 h LEU 151 Cb 0.31 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3ix4 h LEU 151 CO 0.00 0.68 0.51 -0.25 -0.34 0.00 0.00 178.44 179.05 3ix4 h TRP 152 N 1.18 1.24 -0.18 1.25 2.91 -0.35 -0.78 115.95 121.23 3ix4 h TRP 152 Ca 0.40 -0.02 -0.05 0.00 1.13 0.00 0.00 58.89 60.35 3ix4 h TRP 152 Cb 0.09 -0.40 -0.00 0.00 -0.51 0.00 0.00 29.16 28.33 3ix4 h TRP 152 CO -0.00 0.85 -0.09 0.52 -1.03 0.00 0.00 178.44 178.69 3ix4 h MET 153 N 1.28 0.37 -0.60 2.65 2.86 -1.13 -3.30 114.93 117.06 3ix4 h MET 153 Ca 0.32 -0.17 0.10 0.00 -2.06 0.00 0.00 59.70 57.90 3ix4 h MET 153 Cb 0.01 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.58 3ix4 h MET 153 CO -0.05 0.68 0.19 1.25 1.06 0.00 0.00 176.91 180.04 3ix4 h LEU 154 N 0.05 0.15 -1.36 1.22 5.85 -0.69 -2.28 115.31 118.26 3ix4 h LEU 154 Ca 0.04 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.85 3ix4 h LEU 154 Cb 0.58 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3ix4 h LEU 154 CO 0.03 0.09 0.43 0.07 -0.34 0.00 0.00 178.44 178.72 3ix4 h LYS 155 N 0.36 0.85 -0.12 1.25 5.09 -1.23 0.16 116.57 122.94 3ix4 h LYS 155 Ca 0.31 -0.05 -0.23 0.00 0.09 0.00 0.00 60.65 60.76 3ix4 h LYS 155 Cb 0.41 -0.19 0.01 0.00 0.10 0.00 0.00 32.23 32.56 3ix4 h LYS 155 CO -0.33 0.57 -0.83 -0.44 -2.09 0.00 0.00 179.45 176.33 3ix4 h ASP 156 N 0.88 0.93 -0.46 7.07 3.32 -1.55 -0.71 116.42 125.90 3ix4 h ASP 156 Ca 0.24 -0.66 0.01 0.00 0.02 0.00 0.00 57.03 56.64 3ix4 h ASP 156 Cb -0.10 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.15 3ix4 h ASP 156 CO -0.05 1.44 0.30 1.88 -1.72 0.00 0.00 179.24 181.09 3ix4 h TYR 157 N 0.49 0.57 -0.72 4.55 -1.99 -1.02 0.05 116.97 118.90 3ix4 h TYR 157 Ca -0.07 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.67 3ix4 h TYR 157 Cb 1.47 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 39.97 3ix4 h TYR 157 CO 0.09 0.35 0.43 0.00 -0.00 0.00 0.00 178.16 179.04 3ix4 h ALA 158 N 1.17 0.91 -0.06 3.88 0.00 -0.67 -2.10 119.26 122.40 3ix4 h ALA 158 Ca 0.17 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ix4 h ALA 158 Cb -0.06 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 3ix4 h ALA 158 CO -0.04 0.39 0.02 1.25 0.00 0.00 0.00 179.25 180.86 3ix4 h LEU 159 N 0.98 0.08 -0.34 0.00 5.85 -0.80 0.28 115.31 121.36 3ix4 h LEU 159 Ca 0.26 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3ix4 h LEU 159 Cb -0.03 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3ix4 h LEU 159 CO -0.05 0.23 0.19 -0.61 -0.34 0.00 0.00 178.44 177.87 3ix4 h GLN 160 N -0.08 0.47 -0.04 1.25 5.75 -0.89 -0.51 115.11 121.06 3ix4 h GLN 160 Ca 0.02 -0.05 -0.20 0.00 -0.15 0.00 0.00 58.65 58.27 3ix4 h GLN 160 Cb 0.18 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 28.65 3ix4 h GLN 160 CO -0.00 0.38 -0.76 0.66 -2.65 0.00 0.00 178.83 176.46 3ix4 h SER 161 N 0.43 0.73 -0.78 -0.69 4.64 -1.40 -3.25 113.55 113.25 3ix4 h SER 161 Ca 0.12 -0.71 0.05 0.00 -0.47 0.00 0.00 61.79 60.78 3ix4 h SER 161 Cb 0.04 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 61.85 3ix4 h SER 161 CO -0.02 1.35 0.47 1.23 -0.87 0.00 0.00 176.83 178.99 3ix4 h GLY 162 N 0.19 1.15 1.07 -0.77 0.00 -0.33 -2.60 103.07 101.78 3ix4 h GLY 162 Ca -0.08 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 46.92 3ix4 h GLY 162 CO 0.15 0.24 0.63 0.00 0.00 0.00 0.00 176.54 177.56 3ix4 h ALA 163 N 1.37 1.33 -0.67 3.60 0.00 -1.16 0.53 119.26 124.25 3ix4 h ALA 163 Ca 0.34 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3ix4 h ALA 163 Cb 0.15 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3ix4 h ALA 163 CO -0.16 0.63 0.30 0.78 0.00 0.00 0.00 179.25 180.79 3ix4 h GLY 164 N 1.28 1.06 1.18 0.00 0.00 -1.50 -0.95 103.07 104.15 3ix4 h GLY 164 Ca 0.35 -0.55 -0.16 0.00 0.00 0.00 0.00 47.33 46.96 3ix4 h GLY 164 CO -0.08 0.52 -0.42 -2.00 0.00 0.00 0.00 176.54 174.57 3ix4 h LEU 165 N 0.94 0.96 -0.09 3.11 5.85 -1.11 -2.25 115.31 122.71 3ix4 h LEU 165 Ca 0.23 -0.45 -0.14 0.00 0.84 0.00 0.00 57.88 58.36 3ix4 h LEU 165 Cb 0.16 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 40.93 3ix4 h LEU 165 CO -0.02 1.24 -0.48 0.00 -0.34 0.00 0.00 178.44 178.84 3ix4 h ALA 166 N 0.80 0.19 0.00 1.25 0.00 -0.78 -3.42 119.26 117.29 3ix4 h ALA 166 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3ix4 h ALA 166 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3ix4 h ALA 166 CO 0.10 0.36 -0.63 1.19 0.00 0.00 0.00 179.25 180.26 3ix4 n PHE 167 N -4.26 0.00 0.92 0.00 3.01 -0.37 -5.09 117.46 111.67 3ix4 n PHE 167 Ca -0.08 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.49 3ix4 n PHE 167 Cb 0.59 0.00 0.09 0.00 -0.01 0.00 0.00 39.48 40.15 3ix4 n PHE 167 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16