#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ix5 s VAL 5 N 0.00 0.01 0.28 1.12 1.01 -1.25 -4.96 120.40 116.62 1ix5 s VAL 5 Ca 0.00 -1.96 -0.10 0.00 0.00 0.00 0.00 61.98 59.91 1ix5 s VAL 5 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1ix5 s VAL 5 CO 0.00 -0.05 0.50 -1.81 0.00 0.00 0.00 175.10 173.74 1ix5 s ASP 6 N -3.14 0.16 -0.80 3.32 1.11 -1.26 -4.67 116.67 111.38 1ix5 s ASP 6 Ca 0.37 -1.09 -0.27 0.00 0.18 0.00 0.00 52.55 51.73 1ix5 s ASP 6 Cb 0.07 0.63 -0.26 0.00 1.07 0.00 0.00 42.92 44.42 1ix5 s ASP 6 CO 0.11 -1.23 1.96 0.29 1.18 0.00 0.00 175.17 177.48 1ix5 n LYS 7 N -0.44 0.25 0.00 8.23 5.02 -1.26 -0.60 118.16 129.37 1ix5 n LYS 7 Ca -0.02 -1.60 0.00 0.00 -2.02 0.00 0.00 58.31 54.68 1ix5 n LYS 7 Cb 0.62 -3.52 0.00 0.00 -0.02 0.00 0.00 35.03 32.10 1ix5 n LYS 7 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ix5 n GLY 8 N 5.76 -0.14 3.05 0.72 0.00 -1.26 -4.25 105.19 109.05 1ix5 n GLY 8 Ca 0.43 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 1ix5 n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ix5 s VAL 9 N 0.00 1.14 0.24 1.61 1.01 0.23 -4.84 120.40 119.79 1ix5 s VAL 9 Ca 0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 1ix5 s VAL 9 Cb 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 36.38 35.31 1ix5 s VAL 9 CO 0.00 0.35 0.52 -0.75 0.00 0.00 0.00 175.10 175.21 1ix5 s LYS 10 N 0.40 3.68 -0.20 2.72 2.20 -0.58 -2.64 119.74 125.31 1ix5 s LYS 10 Ca -0.09 0.06 -0.10 0.00 -0.36 0.00 0.00 55.97 55.48 1ix5 s LYS 10 Cb -0.13 -2.69 0.07 0.00 -1.51 0.00 0.00 37.83 33.58 1ix5 s LYS 10 CO 0.03 0.29 0.46 0.96 -0.36 0.00 0.00 175.35 176.73 1ix5 s ILE 11 N -1.92 -0.23 -1.06 5.43 -4.36 -0.20 0.23 121.20 119.08 1ix5 s ILE 11 Ca 0.44 0.10 -0.20 0.00 -0.26 0.00 0.00 60.65 60.73 1ix5 s ILE 11 Cb -0.11 -0.70 0.09 0.00 1.25 0.00 0.00 42.46 42.99 1ix5 s ILE 11 CO 0.26 0.04 1.41 -0.54 0.24 0.00 0.00 174.94 176.35 1ix5 s LYS 12 N 1.83 3.70 0.17 0.37 1.02 -1.12 -2.27 119.74 123.45 1ix5 s LYS 12 Ca -0.07 -1.57 0.08 0.00 0.02 0.00 0.00 55.97 54.43 1ix5 s LYS 12 Cb -0.09 -5.24 -0.04 0.00 -0.52 0.00 0.00 37.83 31.94 1ix5 s LYS 12 CO -0.14 -2.06 -0.05 0.14 -0.92 0.00 0.00 175.35 172.32 1ix5 s VAL 13 N 3.92 3.47 -0.42 3.17 -7.23 -1.07 -2.06 120.40 120.19 1ix5 s VAL 13 Ca 0.43 -1.51 0.02 0.00 -1.81 0.00 0.00 61.98 59.12 1ix5 s VAL 13 Cb -0.01 -2.73 0.11 0.00 0.56 0.00 0.00 36.38 34.32 1ix5 s VAL 13 CO -0.06 -0.09 0.16 -1.81 -0.31 0.00 0.00 175.10 172.99 1ix5 s ASP 14 N -2.84 4.75 0.32 4.85 1.11 -0.47 -1.66 116.67 122.73 1ix5 s ASP 14 Ca 0.26 -2.44 -0.07 0.00 0.18 0.00 0.00 52.55 50.49 1ix5 s ASP 14 Cb -0.09 -1.68 -0.06 0.00 1.07 0.00 0.00 42.92 42.16 1ix5 s ASP 14 CO 0.17 -0.36 0.62 -0.72 1.18 0.00 0.00 175.17 176.05 1ix5 s TYR 15 N 0.53 3.47 -0.64 4.23 1.13 -1.26 -3.44 117.35 121.37 1ix5 s TYR 15 Ca 0.13 0.77 0.06 0.00 -1.41 0.00 0.00 57.07 56.62 1ix5 s TYR 15 Cb -0.22 -2.21 0.24 0.00 -1.10 0.00 0.00 41.96 38.67 1ix5 s TYR 15 CO -0.05 0.09 0.69 -0.89 -2.51 0.00 0.00 175.55 172.88 1ix5 n ILE 16 N -1.01 2.05 -1.67 -3.49 5.41 -0.84 -2.07 119.36 117.73 1ix5 n ILE 16 Ca -0.00 -5.08 -0.47 0.00 1.00 0.00 0.00 62.75 58.20 1ix5 n ILE 16 Cb 0.54 -2.10 -0.04 0.00 -0.71 0.00 0.00 39.64 37.32 1ix5 n ILE 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ix5 n GLY 17 N 1.08 1.16 0.19 7.39 0.00 0.16 -3.14 105.19 112.03 1ix5 n GLY 17 Ca 0.28 0.69 -0.02 0.00 0.00 0.00 0.00 46.02 46.97 1ix5 n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ix5 n LYS 18 N 3.92 1.91 -4.10 1.61 5.02 -1.05 -1.01 118.16 124.46 1ix5 n LYS 18 Ca 0.18 -0.20 -0.23 0.00 -2.02 0.00 0.00 58.31 56.04 1ix5 n LYS 18 Cb 0.29 0.05 -0.06 0.00 -0.02 0.00 0.00 35.03 35.29 1ix5 n LYS 18 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ix5 s LEU 19 N 0.00 3.27 0.00 -0.35 1.43 0.10 -2.19 118.68 120.94 1ix5 s LEU 19 Ca 0.00 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1ix5 s LEU 19 Cb 0.00 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1ix5 s LEU 19 CO 0.00 -0.29 0.32 -0.62 0.23 0.00 0.00 176.35 175.99 1ix5 n GLU 20 N -1.15 0.00 0.00 1.70 1.02 -1.26 0.22 120.64 121.17 1ix5 n GLU 20 Ca -0.03 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.14 1ix5 n GLU 20 Cb 0.61 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1ix5 n GLU 20 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ix5 n SER 21 N -0.80 1.00 0.00 1.62 3.41 -1.26 -4.98 113.62 112.61 1ix5 n SER 21 Ca 0.00 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 1ix5 n SER 21 Cb 0.00 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1ix5 n SER 21 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ix5 n GLY 22 N 0.75 0.82 3.59 5.00 0.00 0.59 -5.05 105.19 110.90 1ix5 n GLY 22 Ca 0.03 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 1ix5 n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ix5 s ASP 23 N -2.63 6.22 -0.27 1.61 1.01 -1.24 -4.72 116.67 116.66 1ix5 s ASP 23 Ca 0.00 0.18 -0.29 0.00 0.71 0.00 0.00 52.55 53.15 1ix5 s ASP 23 Cb 0.00 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.71 1ix5 s ASP 23 CO 0.00 -0.20 1.68 -0.69 0.21 0.00 0.00 175.17 176.18 1ix5 s VAL 24 N 2.04 3.60 -0.20 -1.27 1.01 -1.26 0.00 120.40 124.32 1ix5 s VAL 24 Ca 0.14 0.66 0.15 0.00 0.00 0.00 0.00 61.98 62.92 1ix5 s VAL 24 Cb -0.16 -3.69 -0.23 0.00 0.00 0.00 0.00 36.38 32.30 1ix5 s VAL 24 CO 0.10 -0.36 0.02 2.22 0.00 0.00 0.00 175.10 177.09 1ix5 n PHE 25 N 9.16 0.00 -3.78 5.22 -1.74 -0.18 -4.96 117.46 121.17 1ix5 n PHE 25 Ca 0.20 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.96 1ix5 n PHE 25 Cb 0.46 -0.96 -0.14 0.00 1.52 0.00 0.00 39.48 40.36 1ix5 n PHE 25 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1ix5 s ASP 26 N -5.56 -0.11 -0.19 5.98 -1.08 -0.87 -5.03 116.67 109.81 1ix5 s ASP 26 Ca -0.13 0.26 -0.15 0.00 -0.52 0.00 0.00 52.55 52.01 1ix5 s ASP 26 Cb 0.06 0.19 0.05 0.00 -1.46 0.00 0.00 42.92 41.77 1ix5 s ASP 26 CO 0.76 -0.11 0.49 0.28 0.52 0.00 0.00 175.17 177.12 1ix5 s THR 27 N 0.73 -0.01 -0.11 1.71 -1.32 -1.26 0.35 115.64 115.75 1ix5 s THR 27 Ca -0.06 0.02 0.15 0.00 -1.21 0.00 0.00 61.69 60.59 1ix5 s THR 27 Cb -0.07 -0.69 -0.05 0.00 -1.51 0.00 0.00 72.50 70.17 1ix5 s THR 27 CO -0.03 0.01 1.18 0.28 -2.21 0.00 0.00 174.62 173.85 1ix5 h SER 28 N 5.97 0.00 -3.30 8.08 0.02 -1.64 -3.43 113.55 119.24 1ix5 h SER 28 Ca -0.30 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.07 1ix5 h SER 28 Cb 1.18 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.63 1ix5 h SER 28 CO 0.22 0.60 0.79 -0.63 -1.14 0.00 0.00 176.83 176.67 1ix5 s ILE 29 N -2.91 4.21 0.37 3.27 1.01 -1.26 -1.97 121.20 123.93 1ix5 s ILE 29 Ca 0.01 0.71 0.14 0.00 0.00 0.00 0.00 60.65 61.51 1ix5 s ILE 29 Cb 0.08 -4.62 0.36 0.00 0.01 0.00 0.00 42.46 38.29 1ix5 s ILE 29 CO 0.78 -1.17 1.79 -0.08 0.00 0.00 0.00 174.94 176.26 1ix5 h GLU 30 N 9.38 0.49 -0.02 2.79 4.81 -1.81 -2.08 114.58 128.14 1ix5 h GLU 30 Ca -0.25 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1ix5 h GLU 30 Cb 1.06 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 1ix5 h GLU 30 CO 1.13 0.33 -0.20 1.49 -0.73 0.00 0.00 179.01 181.02 1ix5 h GLU 31 N 0.51 -0.23 -1.02 1.92 4.81 -1.90 -0.43 114.58 118.24 1ix5 h GLU 31 Ca 0.56 0.02 0.27 0.00 -0.13 0.00 0.00 59.36 60.07 1ix5 h GLU 31 Cb 1.23 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 30.54 1ix5 h GLU 31 CO -0.29 -0.15 0.61 0.28 -0.73 0.00 0.00 179.01 178.72 1ix5 h VAL 32 N -0.24 0.47 -0.79 0.32 2.07 -1.81 0.25 116.25 116.53 1ix5 h VAL 32 Ca 0.01 -0.17 0.19 0.00 0.82 0.00 0.00 66.70 67.55 1ix5 h VAL 32 Cb 0.27 -0.06 -0.13 0.00 -1.52 0.00 0.00 31.29 29.84 1ix5 h VAL 32 CO -0.15 0.09 0.09 0.00 0.02 0.00 0.00 177.57 177.62 1ix5 h ALA 33 N 1.74 0.94 -0.10 1.67 0.00 -0.73 0.93 119.26 123.71 1ix5 h ALA 33 Ca 0.66 0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.70 1ix5 h ALA 33 Cb 1.39 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1ix5 h ALA 33 CO -0.48 -0.42 -0.38 0.87 0.00 0.00 0.00 179.25 178.84 1ix5 h LYS 34 N 0.15 0.20 0.00 0.00 1.57 -0.15 0.78 116.57 119.12 1ix5 h LYS 34 Ca 0.45 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1ix5 h LYS 34 Cb 0.83 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1ix5 h LYS 34 CO -0.65 0.56 0.00 -1.91 -0.57 0.00 0.00 179.45 176.88 1ix5 n GLU 35 N -4.06 0.11 0.00 3.15 2.13 0.29 -2.56 120.64 119.71 1ix5 n GLU 35 Ca -0.01 0.26 0.02 0.00 0.66 0.00 0.00 57.16 58.08 1ix5 n GLU 35 Cb 0.45 -1.68 -0.01 0.00 0.27 0.00 0.00 31.44 30.47 1ix5 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ix5 n ALA 36 N -1.64 2.44 -2.71 4.31 0.00 0.45 -5.02 120.51 118.35 1ix5 n ALA 36 Ca 0.04 -0.22 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 1ix5 n ALA 36 Cb 0.27 -0.12 0.04 0.00 0.00 0.00 0.00 19.45 19.64 1ix5 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ix5 n GLY 37 N 0.82 0.15 0.00 0.00 0.00 0.21 -4.94 105.19 101.43 1ix5 n GLY 37 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1ix5 n GLY 37 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ix5 n ILE 38 N -2.67 0.00 0.21 -0.61 -5.35 0.19 -4.84 119.36 106.30 1ix5 n ILE 38 Ca -0.09 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.43 1ix5 n ILE 38 Cb 0.56 1.13 0.22 0.00 -1.74 0.00 0.00 39.64 39.81 1ix5 n ILE 38 CO 0.00 0.00 0.00 0.10 -1.76 0.00 0.00 176.55 174.89 1ix5 h TYR 39 N 0.00 0.00 -1.35 4.28 -0.00 -1.78 -3.46 116.97 114.66 1ix5 h TYR 39 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 58.73 58.89 1ix5 h TYR 39 Cb 0.93 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.61 1ix5 h TYR 39 CO 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 178.16 177.86 1ix5 n ALA 40 N -1.47 -1.54 -1.00 0.10 0.00 -1.26 -4.55 120.51 110.79 1ix5 n ALA 40 Ca -0.01 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1ix5 n ALA 40 Cb 0.60 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1ix5 n ALA 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ix5 n PRO 41 N -2.81 0.00 0.00 0.00 -0.04 -1.26 -4.65 135.00 126.24 1ix5 n PRO 41 Ca -0.01 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.51 1ix5 n PRO 41 Cb 0.27 -0.65 -0.06 0.00 -0.04 0.00 0.00 33.50 33.02 1ix5 n PRO 41 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ix5 n ASP 42 N -0.46 0.66 -4.23 3.54 5.75 -1.26 -5.03 116.55 115.52 1ix5 n ASP 42 Ca 0.00 -0.83 -0.38 0.00 -0.01 0.00 0.00 54.79 53.57 1ix5 n ASP 42 Cb 0.00 0.94 0.03 0.00 -1.03 0.00 0.00 41.12 41.06 1ix5 n ASP 42 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1ix5 n ARG 43 N -1.17 0.06 -3.87 0.11 0.00 -1.26 -4.95 116.66 105.58 1ix5 n ARG 43 Ca 0.03 0.03 -0.30 0.00 -0.00 0.00 0.00 57.85 57.60 1ix5 n ARG 43 Cb 0.20 -1.14 -0.15 0.00 0.00 0.00 0.00 32.46 31.36 1ix5 n ARG 43 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1ix5 s GLU 44 N -1.53 1.13 -0.64 -0.14 2.12 -1.26 -4.90 118.70 113.48 1ix5 s GLU 44 Ca 0.54 -1.35 -0.27 0.00 0.36 0.00 0.00 54.97 54.25 1ix5 s GLU 44 Cb -0.40 -2.53 0.02 0.00 0.26 0.00 0.00 34.13 31.48 1ix5 s GLU 44 CO 0.69 -0.91 1.36 0.71 -0.54 0.00 0.00 175.26 176.57 1ix5 s TYR 45 N 1.32 2.30 0.53 5.30 2.02 -1.26 -4.98 117.35 122.57 1ix5 s TYR 45 Ca 0.08 0.29 0.05 0.00 -0.37 0.00 0.00 57.07 57.12 1ix5 s TYR 45 Cb -0.18 -4.48 0.02 0.00 -0.40 0.00 0.00 41.96 36.92 1ix5 s TYR 45 CO -0.16 -1.96 0.33 -1.83 -1.57 0.00 0.00 175.55 170.36 1ix5 s GLU 46 N 5.61 2.25 -0.00 -0.62 4.04 -0.83 -3.00 118.70 126.14 1ix5 s GLU 46 Ca 0.45 -2.06 -0.30 0.00 0.04 0.00 0.00 54.97 53.10 1ix5 s GLU 46 Cb -0.09 -2.01 -0.05 0.00 0.02 0.00 0.00 34.13 32.00 1ix5 s GLU 46 CO 0.21 -0.54 1.32 -1.25 -1.84 0.00 0.00 175.26 173.16 1ix5 s PRO 47 N -4.19 4.32 -0.40 -4.83 0.04 -1.26 -4.49 135.00 124.19 1ix5 s PRO 47 Ca 0.30 1.87 -0.22 0.00 0.04 0.00 0.00 61.00 62.99 1ix5 s PRO 47 Cb -0.01 -3.53 0.01 0.00 0.04 0.00 0.00 34.50 31.01 1ix5 s PRO 47 CO 0.18 -0.50 0.72 -1.17 0.04 0.00 0.00 177.00 176.28 1ix5 s LEU 48 N 2.13 4.25 -0.76 -3.56 0.20 -0.66 -4.78 118.68 115.49 1ix5 s LEU 48 Ca 0.61 0.07 -0.23 0.00 0.69 0.00 0.00 54.13 55.27 1ix5 s LEU 48 Cb -0.30 -2.90 0.07 0.00 -0.43 0.00 0.00 46.19 42.63 1ix5 s LEU 48 CO 0.26 -0.75 1.12 -1.83 -0.29 0.00 0.00 176.35 174.86 1ix5 s GLU 49 N 3.01 3.26 0.26 1.98 -1.05 -1.25 -2.58 118.70 122.32 1ix5 s GLU 49 Ca 0.28 -0.86 0.05 0.00 -0.15 0.00 0.00 54.97 54.29 1ix5 s GLU 49 Cb -0.13 -4.45 -0.03 0.00 -0.44 0.00 0.00 34.13 29.08 1ix5 s GLU 49 CO 0.18 -1.94 0.39 -0.59 0.95 0.00 0.00 175.26 174.25 1ix5 s PHE 50 N 4.39 3.41 -0.22 4.83 -0.71 -0.96 -4.72 117.98 124.00 1ix5 s PHE 50 Ca 0.30 -0.02 0.01 0.00 -1.04 0.00 0.00 56.93 56.19 1ix5 s PHE 50 Cb -0.11 -1.65 0.05 0.00 -1.21 0.00 0.00 43.02 40.10 1ix5 s PHE 50 CO 0.06 0.36 -0.10 0.08 -1.34 0.00 0.00 175.22 174.28 1ix5 s VAL 51 N -2.03 1.76 -0.51 -2.49 1.01 -1.26 -1.04 120.40 115.85 1ix5 s VAL 51 Ca 0.36 -1.20 0.05 0.00 0.00 0.00 0.00 61.98 61.19 1ix5 s VAL 51 Cb -0.09 -1.87 0.05 0.00 0.00 0.00 0.00 36.38 34.47 1ix5 s VAL 51 CO 0.30 0.08 1.06 0.52 0.00 0.00 0.00 175.10 177.06 1ix5 n VAL 52 N 4.62 1.23 -2.17 2.92 0.31 -1.08 -0.73 118.33 123.43 1ix5 n VAL 52 Ca -0.14 0.58 -0.29 0.00 -0.01 0.00 0.00 64.34 64.48 1ix5 n VAL 52 Cb 0.45 -1.58 0.02 0.00 -0.91 0.00 0.00 33.84 31.82 1ix5 n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ix5 n GLY 53 N -1.34 6.02 0.00 2.92 0.00 -1.24 -4.13 105.19 107.42 1ix5 n GLY 53 Ca -0.00 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.36 1ix5 n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ix5 n GLU 54 N -0.59 0.00 -1.07 1.61 1.02 0.09 -4.31 120.64 117.39 1ix5 n GLU 54 Ca 0.45 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.56 1ix5 n GLU 54 Cb 0.67 -0.03 -0.01 0.00 -0.02 0.00 0.00 31.44 32.05 1ix5 n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ix5 n GLY 55 N 0.00 0.44 0.00 0.62 0.00 -1.24 -4.92 105.19 100.10 1ix5 n GLY 55 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ix5 n GLY 55 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ix5 n GLN 56 N -1.17 0.00 -2.26 1.61 7.27 -1.26 -4.63 117.38 116.94 1ix5 n GLN 56 Ca -0.02 0.46 -0.27 0.00 0.07 0.00 0.00 57.00 57.24 1ix5 n GLN 56 Cb 0.30 -1.07 0.04 0.00 2.41 0.00 0.00 30.24 31.92 1ix5 n GLN 56 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1ix5 s LEU 57 N -2.33 3.09 0.29 1.69 1.02 -1.26 -5.00 118.68 116.19 1ix5 s LEU 57 Ca 0.00 0.75 -0.30 0.00 0.02 0.00 0.00 54.13 54.60 1ix5 s LEU 57 Cb 0.00 -3.53 -0.12 0.00 0.02 0.00 0.00 46.19 42.55 1ix5 s LEU 57 CO 0.00 -1.22 1.42 2.30 0.02 0.00 0.00 176.35 178.87 1ix5 n ILE 58 N -2.73 1.38 -0.33 -0.59 -0.00 -1.26 -4.67 119.36 111.15 1ix5 n ILE 58 Ca 0.06 -0.34 -0.12 0.00 -0.00 0.00 0.00 62.75 62.34 1ix5 n ILE 58 Cb 0.58 -1.64 -0.10 0.00 -0.00 0.00 0.00 39.64 38.48 1ix5 n ILE 58 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 1ix5 h GLN 59 N 3.71 -0.12 -0.06 6.28 4.20 -1.86 0.51 115.11 127.77 1ix5 h GLN 59 Ca -0.46 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.26 1ix5 h GLN 59 Cb 1.26 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 1ix5 h GLN 59 CO 0.71 -0.08 -0.03 0.41 -0.67 0.00 0.00 178.83 179.17 1ix5 n GLY 60 N -1.29 -1.58 0.25 3.46 0.00 -1.26 0.18 105.19 104.96 1ix5 n GLY 60 Ca 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 46.02 46.34 1ix5 n GLY 60 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ix5 h PHE 61 N 0.00 0.65 -0.17 1.61 3.04 -1.67 0.16 116.94 120.56 1ix5 h PHE 61 Ca 0.01 0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.03 1ix5 h PHE 61 Cb 0.02 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 1ix5 h PHE 61 CO -0.49 0.33 0.27 0.93 -2.02 0.00 0.00 178.31 177.33 1ix5 h GLU 62 N 0.67 0.00 0.14 1.11 5.08 0.41 0.34 114.58 122.33 1ix5 h GLU 62 Ca 0.28 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.29 1ix5 h GLU 62 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1ix5 h GLU 62 CO -0.16 0.00 -1.85 0.93 -1.00 0.00 0.00 179.01 176.92 1ix5 h GLU 63 N 0.00 0.30 0.00 2.33 5.08 0.34 -2.55 114.58 120.08 1ix5 h GLU 63 Ca 0.08 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1ix5 h GLU 63 Cb 0.62 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1ix5 h GLU 63 CO -0.00 1.21 0.00 0.00 -1.00 0.00 0.00 179.01 179.22 1ix5 n ALA 64 N -2.90 1.17 -0.04 3.43 0.00 0.04 -1.32 120.51 120.89 1ix5 n ALA 64 Ca -0.27 0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 1ix5 n ALA 64 Cb 1.06 -1.25 -0.11 0.00 0.00 0.00 0.00 19.45 19.15 1ix5 n ALA 64 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1ix5 n VAL 65 N -2.04 0.59 -0.35 0.00 0.24 -0.78 -4.44 118.33 111.55 1ix5 n VAL 65 Ca -0.00 -0.48 0.34 0.00 -2.04 0.00 0.00 64.34 62.16 1ix5 n VAL 65 Cb 0.07 -0.36 0.70 0.00 -1.47 0.00 0.00 33.84 32.78 1ix5 n VAL 65 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ix5 h LEU 66 N 0.00 0.10 -4.54 1.34 3.38 -0.75 0.23 115.31 115.06 1ix5 h LEU 66 Ca -0.24 0.02 -0.61 0.00 0.09 0.00 0.00 57.88 57.15 1ix5 h LEU 66 Cb 1.41 0.01 -0.41 0.00 0.09 0.00 0.00 40.66 41.77 1ix5 h LEU 66 CO 0.01 0.01 -0.56 0.47 0.09 0.00 0.00 178.44 178.46 1ix5 n ASP 67 N -4.28 4.98 -3.71 -0.43 8.00 -1.23 -3.78 116.55 116.11 1ix5 n ASP 67 Ca 0.27 -3.73 -0.22 0.00 0.71 0.00 0.00 54.79 51.82 1ix5 n ASP 67 Cb 1.23 -0.51 -0.18 0.00 -0.02 0.00 0.00 41.12 41.64 1ix5 n ASP 67 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ix5 s MET 68 N -3.59 0.23 0.44 -1.24 -1.94 0.80 -4.94 119.30 109.06 1ix5 s MET 68 Ca 0.49 0.19 -0.07 0.00 -1.71 0.00 0.00 55.69 54.58 1ix5 s MET 68 Cb 0.40 -0.90 0.11 0.00 2.01 0.00 0.00 34.83 36.46 1ix5 s MET 68 CO -0.20 -0.37 0.38 0.39 -0.01 0.00 0.00 175.02 175.21 1ix5 n GLU 69 N 5.23 -1.84 -2.62 2.03 4.71 -1.26 0.21 120.64 127.10 1ix5 n GLU 69 Ca -0.05 -0.61 -0.42 0.00 -0.01 0.00 0.00 57.16 56.07 1ix5 n GLU 69 Cb 0.50 -0.58 -0.03 0.00 -1.01 0.00 0.00 31.44 30.32 1ix5 n GLU 69 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1ix5 s VAL 70 N -1.68 4.08 0.00 2.62 1.01 -1.26 -2.80 120.40 122.37 1ix5 s VAL 70 Ca 0.25 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.06 1ix5 s VAL 70 Cb -0.03 -4.70 0.00 0.00 0.00 0.00 0.00 36.38 31.66 1ix5 s VAL 70 CO 0.19 -1.30 0.00 0.61 0.00 0.00 0.00 175.10 174.61 1ix5 n GLY 71 N 5.06 1.17 3.69 4.51 0.00 0.34 -4.85 105.19 115.12 1ix5 n GLY 71 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1ix5 n GLY 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ix5 s ASP 72 N -1.25 2.64 -0.19 1.61 1.11 -1.12 -4.69 116.67 114.79 1ix5 s ASP 72 Ca 0.00 1.07 -0.09 0.00 0.18 0.00 0.00 52.55 53.72 1ix5 s ASP 72 Cb 0.00 -1.69 0.07 0.00 1.07 0.00 0.00 42.92 42.37 1ix5 s ASP 72 CO 0.00 -3.11 0.43 -0.70 1.18 0.00 0.00 175.17 172.97 1ix5 s GLU 73 N -5.07 0.38 -0.36 8.23 -6.30 -1.26 -1.26 118.70 113.07 1ix5 s GLU 73 Ca 0.66 0.91 0.00 0.00 -2.50 0.00 0.00 54.97 54.04 1ix5 s GLU 73 Cb -0.17 0.12 0.12 0.00 0.00 0.00 0.00 34.13 34.20 1ix5 s GLU 73 CO 0.57 -0.19 0.15 0.21 0.02 0.00 0.00 175.26 176.02 1ix5 s LYS 74 N 1.88 0.91 -1.24 4.30 2.20 -1.24 -5.00 119.74 121.55 1ix5 s LYS 74 Ca -0.07 -1.43 -0.13 0.00 -0.36 0.00 0.00 55.97 53.99 1ix5 s LYS 74 Cb -0.10 -2.07 0.16 0.00 -1.51 0.00 0.00 37.83 34.32 1ix5 s LYS 74 CO -0.13 -1.06 1.56 2.41 -0.36 0.00 0.00 175.35 177.77 1ix5 n THR 75 N 4.33 4.24 -4.11 3.43 -1.04 -1.24 -3.29 114.28 116.59 1ix5 n THR 75 Ca 0.03 -4.59 -0.23 0.00 -2.04 0.00 0.00 64.05 57.22 1ix5 n THR 75 Cb 0.39 -2.44 -0.06 0.00 -1.82 0.00 0.00 70.33 66.40 1ix5 n THR 75 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ix5 s VAL 76 N 1.54 3.02 -0.30 12.58 1.01 -1.10 -4.77 120.40 132.37 1ix5 s VAL 76 Ca 0.43 -1.71 -0.09 0.00 0.00 0.00 0.00 61.98 60.61 1ix5 s VAL 76 Cb 0.01 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1ix5 s VAL 76 CO 0.01 -0.19 0.14 -0.75 0.00 0.00 0.00 175.10 174.31 1ix5 s LYS 77 N -3.84 3.37 0.13 2.72 2.20 -1.26 0.81 119.74 123.86 1ix5 s LYS 77 Ca 0.37 -0.69 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 1ix5 s LYS 77 Cb -0.02 -3.52 -0.06 0.00 -1.51 0.00 0.00 37.83 32.71 1ix5 s LYS 77 CO 0.22 -0.38 0.99 0.42 -0.36 0.00 0.00 175.35 176.24 1ix5 s ILE 78 N 1.61 4.36 0.27 5.43 1.09 0.88 -4.83 121.20 130.01 1ix5 s ILE 78 Ca 0.05 1.98 -0.29 0.00 -1.10 0.00 0.00 60.65 61.28 1ix5 s ILE 78 Cb -0.17 -4.26 -0.09 0.00 -1.06 0.00 0.00 42.46 36.88 1ix5 s ILE 78 CO 0.06 0.31 1.17 -2.16 -0.10 0.00 0.00 174.94 174.21 1ix5 s PRO 79 N -0.08 4.55 0.04 2.79 0.04 -1.26 -1.68 135.00 139.40 1ix5 s PRO 79 Ca 0.47 1.91 0.01 0.00 0.04 0.00 0.00 61.00 63.43 1ix5 s PRO 79 Cb -0.25 -3.18 0.08 0.00 0.04 0.00 0.00 34.50 31.19 1ix5 s PRO 79 CO 0.31 0.06 0.80 0.00 0.04 0.00 0.00 177.00 178.21 1ix5 n ALA 80 N 1.44 0.48 0.14 8.56 0.00 -1.18 0.11 120.51 130.06 1ix5 n ALA 80 Ca 0.00 0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.23 1ix5 n ALA 80 Cb 0.44 -0.50 -0.16 0.00 0.00 0.00 0.00 19.45 19.23 1ix5 n ALA 80 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ix5 h GLU 81 N 0.00 0.49 0.04 0.00 4.81 -1.88 2.58 114.58 120.62 1ix5 h GLU 81 Ca 0.00 -0.84 -0.29 0.00 -0.13 0.00 0.00 59.36 58.10 1ix5 h GLU 81 Cb 0.55 0.31 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 1ix5 h GLU 81 CO 0.00 1.40 -1.56 0.87 -0.73 0.00 0.00 179.01 178.99 1ix5 h LYS 82 N 0.13 0.09 0.00 1.92 1.57 0.40 -3.05 116.57 117.63 1ix5 h LYS 82 Ca -0.24 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1ix5 h LYS 82 Cb 2.14 0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.50 1ix5 h LYS 82 CO 0.26 0.82 0.00 0.00 -0.57 0.00 0.00 179.45 179.96 1ix5 n ALA 83 N -2.59 0.00 -0.62 3.86 0.00 -0.25 -3.39 120.51 117.52 1ix5 n ALA 83 Ca -0.15 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.36 1ix5 n ALA 83 Cb 1.03 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.83 1ix5 n ALA 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ix5 n TYR 84 N 0.00 1.74 -3.34 0.00 4.02 -1.16 -4.77 117.16 113.65 1ix5 n TYR 84 Ca 0.00 -0.62 -0.23 0.00 -0.01 0.00 0.00 57.90 57.04 1ix5 n TYR 84 Cb 0.00 -0.41 0.02 0.00 -0.02 0.00 0.00 39.34 38.94 1ix5 n TYR 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ix5 n GLY 85 N 0.71 -0.09 7.00 2.72 0.00 0.72 -4.57 105.19 111.68 1ix5 n GLY 85 Ca 0.25 0.73 0.00 0.00 0.00 0.00 0.00 46.02 47.00 1ix5 n GLY 85 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ix5 n ASN 86 N 0.37 -1.50 -4.90 1.61 2.04 0.62 -4.68 115.26 108.83 1ix5 n ASN 86 Ca -0.04 0.00 -0.29 0.00 -0.44 0.00 0.00 54.58 53.80 1ix5 n ASN 86 Cb 0.59 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.81 1ix5 n ASN 86 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1ix5 s ARG 87 N 0.00 3.68 0.29 -3.83 0.52 -1.26 -2.72 118.95 115.63 1ix5 s ARG 87 Ca 0.00 0.14 -0.06 0.00 -0.52 0.00 0.00 55.73 55.29 1ix5 s ARG 87 Cb 0.00 -2.58 -0.06 0.00 0.52 0.00 0.00 34.95 32.83 1ix5 s ARG 87 CO 0.00 0.15 0.57 1.21 0.02 0.00 0.00 175.30 177.25 1ix5 s ASN 88 N -3.12 6.49 0.06 0.23 2.47 -1.26 -4.91 114.94 114.90 1ix5 s ASN 88 Ca 0.46 0.80 0.17 0.00 0.42 0.00 0.00 52.86 54.70 1ix5 s ASN 88 Cb -0.11 -2.18 -0.13 0.00 -1.45 0.00 0.00 41.25 37.38 1ix5 s ASN 88 CO 0.30 -0.19 0.83 1.21 -3.72 0.00 0.00 177.10 175.53 1ix5 n GLU 89 N -0.79 0.62 0.00 0.43 2.13 -1.26 -3.68 120.64 118.10 1ix5 n GLU 89 Ca -0.01 0.23 0.11 0.00 0.66 0.00 0.00 57.16 58.15 1ix5 n GLU 89 Cb 0.54 -1.81 0.67 0.00 0.27 0.00 0.00 31.44 31.10 1ix5 n GLU 89 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1ix5 n MET 90 N -2.89 0.84 -0.16 5.31 2.81 -1.26 -2.24 117.12 119.53 1ix5 n MET 90 Ca -0.10 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 55.89 1ix5 n MET 90 Cb 0.84 -1.42 0.18 0.00 -0.71 0.00 0.00 33.22 32.10 1ix5 n MET 90 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1ix5 n LEU 91 N -0.92 3.10 -4.57 4.03 4.77 -1.24 -4.90 117.00 117.27 1ix5 n LEU 91 Ca 0.17 -1.55 -0.43 0.00 -0.03 0.00 0.00 56.01 54.17 1ix5 n LEU 91 Cb 0.08 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 1ix5 n LEU 91 CO 0.13 0.69 0.90 -0.63 -1.33 0.00 0.00 177.39 177.14 1ix5 s ILE 92 N -1.25 4.27 0.34 -0.08 1.01 -0.95 0.24 121.20 124.78 1ix5 s ILE 92 Ca 0.31 0.77 0.07 0.00 0.00 0.00 0.00 60.65 61.80 1ix5 s ILE 92 Cb 0.18 -4.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 1ix5 s ILE 92 CO 0.25 -1.08 0.47 -1.10 0.00 0.00 0.00 174.94 173.48 1ix5 s GLN 93 N 4.28 3.09 -0.30 2.79 1.11 -0.77 -4.92 119.66 124.94 1ix5 s GLN 93 Ca 0.39 -1.03 -0.00 0.00 0.01 0.00 0.00 55.36 54.73 1ix5 s GLN 93 Cb -0.09 -2.81 0.14 0.00 -1.01 0.00 0.00 33.01 29.23 1ix5 s GLN 93 CO 0.26 0.04 0.30 0.15 0.01 0.00 0.00 175.29 176.04 1ix5 s LYS 94 N -4.18 0.34 0.22 2.91 3.01 -1.26 -1.42 119.74 119.37 1ix5 s LYS 94 Ca 0.46 -0.21 -0.01 0.00 -1.01 0.00 0.00 55.97 55.20 1ix5 s LYS 94 Cb -0.09 -0.68 -0.04 0.00 -1.01 0.00 0.00 37.83 36.01 1ix5 s LYS 94 CO 0.31 -1.04 0.41 0.96 0.51 0.00 0.00 175.35 176.50 1ix5 s ILE 95 N 2.28 5.19 0.24 2.17 -4.36 -0.75 -4.92 121.20 121.05 1ix5 s ILE 95 Ca 0.10 -0.37 -0.30 0.00 -0.26 0.00 0.00 60.65 59.82 1ix5 s ILE 95 Cb -0.14 -3.75 -0.09 0.00 1.25 0.00 0.00 42.46 39.73 1ix5 s ILE 95 CO -0.31 -0.22 1.18 -2.16 0.24 0.00 0.00 174.94 173.67 1ix5 s PRO 96 N -3.44 4.52 0.46 0.37 0.04 -1.26 -1.72 135.00 133.98 1ix5 s PRO 96 Ca 0.39 1.91 0.34 0.00 0.04 0.00 0.00 61.00 63.67 1ix5 s PRO 96 Cb -0.11 -3.19 1.49 0.00 0.04 0.00 0.00 34.50 32.73 1ix5 s PRO 96 CO 0.30 0.01 1.61 -0.09 0.04 0.00 0.00 177.00 178.87 1ix5 h ARG 97 N 4.42 0.05 -0.57 4.56 9.65 -1.54 2.48 114.38 133.43 1ix5 h ARG 97 Ca -0.46 -0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.37 1ix5 h ARG 97 Cb 1.21 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.76 1ix5 h ARG 97 CO 0.70 0.03 0.18 0.22 2.80 0.00 0.00 179.97 183.91 1ix5 h ASP 98 N 0.05 0.78 0.00 -3.80 1.82 -1.90 1.73 116.42 115.11 1ix5 h ASP 98 Ca 0.84 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 57.36 1ix5 h ASP 98 Cb 2.81 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 42.61 1ix5 h ASP 98 CO -0.35 0.74 0.58 0.00 -1.61 0.00 0.00 179.24 178.60 1ix5 h ALA 99 N 1.37 1.45 0.00 -0.78 0.00 0.40 -1.13 119.26 120.57 1ix5 h ALA 99 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ix5 h ALA 99 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ix5 h ALA 99 CO -0.01 -0.45 -0.12 1.19 0.00 0.00 0.00 179.25 179.85 1ix5 n PHE 100 N -2.12 0.00 -0.33 0.00 3.72 -0.72 -4.83 117.46 113.18 1ix5 n PHE 100 Ca -0.01 0.00 0.27 0.00 -0.05 0.00 0.00 57.45 57.66 1ix5 n PHE 100 Cb 0.59 0.00 0.51 0.00 -0.94 0.00 0.00 39.48 39.64 1ix5 n PHE 100 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1ix5 h LYS 101 N 0.00 0.09 -1.66 -1.08 3.11 0.39 1.22 116.57 118.65 1ix5 h LYS 101 Ca 0.00 -0.01 -0.42 0.00 -2.81 0.00 0.00 60.65 57.41 1ix5 h LYS 101 Cb 0.05 -0.02 -0.17 0.00 -1.00 0.00 0.00 32.23 31.09 1ix5 h LYS 101 CO 0.00 0.06 0.46 -0.85 -2.81 0.00 0.00 179.45 176.31 1ix5 n GLU 102 N -5.23 2.11 -3.57 1.90 0.28 -1.19 -4.77 120.64 110.16 1ix5 n GLU 102 Ca 0.34 -2.03 0.01 0.00 -0.16 0.00 0.00 57.16 55.32 1ix5 n GLU 102 Cb 1.11 -1.87 -0.06 0.00 1.43 0.00 0.00 31.44 32.05 1ix5 n GLU 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ix5 s ALA 103 N -1.99 -2.62 -0.48 -1.84 0.00 0.42 -4.98 121.76 110.26 1ix5 s ALA 103 Ca 0.44 2.04 0.00 0.00 0.00 0.00 0.00 51.96 54.44 1ix5 s ALA 103 Cb 0.32 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1ix5 s ALA 103 CO -0.09 -0.46 0.69 -0.40 0.00 0.00 0.00 175.76 175.50 1ix5 n ASP 104 N 3.63 0.00 0.16 0.00 5.68 -1.26 -1.87 116.55 122.89 1ix5 n ASP 104 Ca -0.16 0.21 0.04 0.00 -0.50 0.00 0.00 54.79 54.38 1ix5 n ASP 104 Cb 0.56 -0.21 0.21 0.00 -1.14 0.00 0.00 41.12 40.54 1ix5 n ASP 104 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1ix5 n PHE 105 N -1.19 0.26 0.00 2.11 3.72 -1.26 -4.75 117.46 116.35 1ix5 n PHE 105 Ca 0.00 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1ix5 n PHE 105 Cb 0.25 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 1ix5 n PHE 105 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1ix5 n GLU 106 N -1.92 0.00 -2.24 -1.08 1.02 -0.78 -4.75 120.64 110.88 1ix5 n GLU 106 Ca -0.01 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1ix5 n GLU 106 Cb 0.49 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.91 1ix5 n GLU 106 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1ix5 s PRO 107 N 0.00 3.42 0.11 3.49 0.04 -1.26 -5.07 135.00 135.73 1ix5 s PRO 107 Ca 0.00 1.42 0.04 0.00 0.04 0.00 0.00 61.00 62.49 1ix5 s PRO 107 Cb 0.00 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1ix5 s PRO 107 CO 0.00 -0.76 -0.10 -1.21 0.04 0.00 0.00 177.00 174.97 1ix5 s GLU 108 N -3.54 0.90 -0.44 4.56 2.02 -1.26 -4.93 118.70 116.01 1ix5 s GLU 108 Ca 0.68 -1.24 -0.19 0.00 0.02 0.00 0.00 54.97 54.24 1ix5 s GLU 108 Cb -0.19 -0.55 -0.19 0.00 0.10 0.00 0.00 34.13 33.30 1ix5 s GLU 108 CO 0.29 0.08 1.71 -1.91 0.02 0.00 0.00 175.26 175.45 1ix5 n GLU 109 N 0.36 0.90 0.00 1.61 2.13 -1.23 -0.64 120.64 123.76 1ix5 n GLU 109 Ca -0.14 -1.32 0.00 0.00 0.66 0.00 0.00 57.16 56.35 1ix5 n GLU 109 Cb 0.58 -2.58 0.00 0.00 0.27 0.00 0.00 31.44 29.72 1ix5 n GLU 109 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ix5 n GLY 110 N 4.48 -0.31 3.67 8.31 0.00 0.22 -4.86 105.19 116.70 1ix5 n GLY 110 Ca 0.41 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 1ix5 n GLY 110 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ix5 s MET 111 N 0.00 0.20 -0.48 1.61 -1.94 0.19 -4.79 119.30 114.08 1ix5 s MET 111 Ca 0.00 0.42 0.06 0.00 -1.71 0.00 0.00 55.69 54.47 1ix5 s MET 111 Cb 0.00 -1.72 0.22 0.00 2.01 0.00 0.00 34.83 35.34 1ix5 s MET 111 CO 0.00 -2.87 0.76 0.28 -0.01 0.00 0.00 175.02 173.18 1ix5 n VAL 112 N -4.25 -0.17 -4.21 -6.03 0.31 -1.26 -2.49 118.33 100.23 1ix5 n VAL 112 Ca 0.06 -1.77 -0.35 0.00 -0.01 0.00 0.00 64.34 62.27 1ix5 n VAL 112 Cb 0.58 0.71 -0.10 0.00 -0.91 0.00 0.00 33.84 34.12 1ix5 n VAL 112 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1ix5 s ILE 113 N 0.49 4.53 0.28 2.52 2.07 -1.25 -4.67 121.20 125.17 1ix5 s ILE 113 Ca 0.32 -0.15 0.07 0.00 -1.41 0.00 0.00 60.65 59.48 1ix5 s ILE 113 Cb 0.14 -2.97 -0.03 0.00 0.13 0.00 0.00 42.46 39.72 1ix5 s ILE 113 CO -0.17 0.55 0.25 -0.76 -1.91 0.00 0.00 174.94 172.90 1ix5 s LEU 114 N -0.34 3.82 0.00 8.50 1.02 -1.26 0.10 118.68 130.51 1ix5 s LEU 114 Ca 0.08 -0.28 0.13 0.00 0.02 0.00 0.00 54.13 54.08 1ix5 s LEU 114 Cb -0.12 -2.39 0.25 0.00 0.02 0.00 0.00 46.19 43.95 1ix5 s LEU 114 CO 0.02 -0.14 1.14 0.00 0.02 0.00 0.00 176.35 177.38 1ix5 n ALA 115 N -1.28 2.34 0.00 4.21 0.00 -1.18 -4.78 120.51 119.83 1ix5 n ALA 115 Ca -0.06 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.47 1ix5 n ALA 115 Cb 0.58 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1ix5 n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ix5 n GLU 116 N 0.77 0.00 0.00 0.00 1.02 -1.26 -4.97 120.64 116.19 1ix5 n GLU 116 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1ix5 n GLU 116 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 1ix5 n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ix5 n GLY 117 N 0.00 0.85 3.60 0.62 0.00 -1.26 -5.10 105.19 103.90 1ix5 n GLY 117 Ca 0.00 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1ix5 n GLY 117 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ix5 s ILE 118 N 0.00 4.44 0.86 -0.61 1.01 -1.26 -4.78 121.20 120.86 1ix5 s ILE 118 Ca 0.00 1.18 -0.12 0.00 0.00 0.00 0.00 60.65 61.72 1ix5 s ILE 118 Cb 0.00 -4.45 0.11 0.00 0.01 0.00 0.00 42.46 38.13 1ix5 s ILE 118 CO 0.00 -0.73 1.10 -2.16 0.00 0.00 0.00 174.94 173.14 1ix5 s PRO 119 N 3.85 1.54 -0.45 2.79 0.04 -1.26 -3.12 135.00 138.39 1ix5 s PRO 119 Ca 0.42 0.69 0.02 0.00 0.04 0.00 0.00 61.00 62.17 1ix5 s PRO 119 Cb -0.10 -1.85 0.13 0.00 0.04 0.00 0.00 34.50 32.72 1ix5 s PRO 119 CO 0.24 -2.01 0.23 0.00 0.04 0.00 0.00 177.00 175.49 1ix5 s ALA 120 N -3.05 2.45 -0.65 8.56 0.00 0.11 -4.00 121.76 125.18 1ix5 s ALA 120 Ca 0.62 -2.72 -0.26 0.00 0.00 0.00 0.00 51.96 49.60 1ix5 s ALA 120 Cb -0.16 -1.95 -0.08 0.00 0.00 0.00 0.00 23.12 20.92 1ix5 s ALA 120 CO 0.56 -2.02 2.28 0.99 0.00 0.00 0.00 175.76 177.57 1ix5 s THR 121 N 0.28 3.10 -0.89 0.00 2.01 0.88 -3.93 115.64 117.09 1ix5 s THR 121 Ca 0.17 -0.01 -0.25 0.00 0.31 0.00 0.00 61.69 61.91 1ix5 s THR 121 Cb -0.24 -3.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 1ix5 s THR 121 CO -0.01 -0.24 1.98 -0.63 -0.69 0.00 0.00 174.62 175.03 1ix5 s ILE 122 N 12.45 3.41 -0.56 1.82 1.09 -1.04 0.23 121.20 138.60 1ix5 s ILE 122 Ca 0.89 -0.34 0.24 0.00 -1.10 0.00 0.00 60.65 60.34 1ix5 s ILE 122 Cb -0.14 -3.93 0.31 0.00 -1.06 0.00 0.00 42.46 37.65 1ix5 s ILE 122 CO 0.16 -0.87 1.68 0.71 -0.10 0.00 0.00 174.94 176.52 1ix5 h THR 123 N 7.29 0.00 -3.45 2.92 1.35 -0.23 0.64 112.91 121.44 1ix5 h THR 123 Ca 0.09 -0.77 -0.68 0.00 -0.55 0.00 0.00 66.41 64.49 1ix5 h THR 123 Cb 1.00 1.77 -0.33 0.00 -1.73 0.00 0.00 68.15 68.87 1ix5 h THR 123 CO 1.19 0.00 -0.88 -0.70 -0.25 0.00 0.00 175.52 174.88 1ix5 s GLU 124 N -3.16 2.97 -0.45 4.72 2.56 -1.21 -4.80 118.70 119.33 1ix5 s GLU 124 Ca 0.09 -0.88 0.07 0.00 0.00 0.00 0.00 54.97 54.25 1ix5 s GLU 124 Cb 0.08 -2.28 0.40 0.00 2.00 0.00 0.00 34.13 34.34 1ix5 s GLU 124 CO 0.64 0.21 1.03 1.55 -0.56 0.00 0.00 175.26 178.13 1ix5 n VAL 125 N 3.43 2.17 -2.65 3.70 3.14 -1.26 -1.62 118.33 125.25 1ix5 n VAL 125 Ca -0.19 -4.78 -0.42 0.00 -2.96 0.00 0.00 64.34 55.99 1ix5 n VAL 125 Cb 0.53 -0.94 -0.03 0.00 -1.06 0.00 0.00 33.84 32.34 1ix5 n VAL 125 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1ix5 s THR 126 N -4.74 4.69 -1.21 1.55 -4.23 0.11 -4.85 115.64 106.96 1ix5 s THR 126 Ca 0.45 1.95 0.00 0.00 -1.18 0.00 0.00 61.69 62.91 1ix5 s THR 126 Cb 0.38 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.96 1ix5 s THR 126 CO -0.14 0.04 0.30 0.47 -0.54 0.00 0.00 174.62 174.75 1ix5 n ASP 127 N 4.77 0.00 -0.01 3.99 8.00 -1.26 0.22 116.55 132.27 1ix5 n ASP 127 Ca 0.09 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.62 1ix5 n ASP 127 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.52 1ix5 n ASP 127 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1ix5 n ASN 128 N -0.80 2.93 -3.59 -2.24 2.04 -1.26 -4.79 115.26 107.54 1ix5 n ASN 128 Ca 0.00 0.00 0.02 0.00 -0.44 0.00 0.00 54.58 54.16 1ix5 n ASN 128 Cb 0.00 1.33 -0.01 0.00 -2.53 0.00 0.00 39.78 38.58 1ix5 n ASN 128 CO 0.00 0.00 0.00 -1.83 -0.44 0.00 0.00 177.26 174.99 1ix5 s GLU 129 N -2.58 0.10 0.00 -3.83 1.03 0.60 -1.43 118.70 112.58 1ix5 s GLU 129 Ca -0.03 -0.05 0.03 0.00 0.03 0.00 0.00 54.97 54.95 1ix5 s GLU 129 Cb 0.05 0.04 -0.01 0.00 -0.80 0.00 0.00 34.13 33.41 1ix5 s GLU 129 CO 0.37 -0.04 -0.10 0.14 -1.33 0.00 0.00 175.26 174.30 1ix5 s VAL 130 N -2.11 0.77 -1.04 1.83 -7.23 -0.70 0.07 120.40 112.00 1ix5 s VAL 130 Ca 0.14 -0.50 -0.13 0.00 -1.81 0.00 0.00 61.98 59.68 1ix5 s VAL 130 Cb 0.05 -0.66 0.22 0.00 0.56 0.00 0.00 36.38 36.55 1ix5 s VAL 130 CO -0.05 0.16 1.10 -0.89 -0.31 0.00 0.00 175.10 175.10 1ix5 s THR 131 N -0.35 5.54 -0.81 5.32 2.01 -0.64 -1.81 115.64 124.90 1ix5 s THR 131 Ca 0.03 -2.79 -0.26 0.00 0.31 0.00 0.00 61.69 58.98 1ix5 s THR 131 Cb -0.04 -4.66 0.03 0.00 0.01 0.00 0.00 72.50 67.84 1ix5 s THR 131 CO -0.00 -1.28 1.39 -0.76 -0.69 0.00 0.00 174.62 173.28 1ix5 s LEU 132 N 0.19 3.26 -0.70 4.42 1.02 -0.50 0.48 118.68 126.85 1ix5 s LEU 132 Ca 0.30 -0.66 -0.26 0.00 0.02 0.00 0.00 54.13 53.53 1ix5 s LEU 132 Cb -0.08 -2.56 -0.02 0.00 0.02 0.00 0.00 46.19 43.55 1ix5 s LEU 132 CO -0.07 -1.82 1.81 -0.62 0.02 0.00 0.00 176.35 175.67 1ix5 s ASP 133 N 4.52 5.37 0.18 2.29 2.15 0.64 -1.85 116.67 129.97 1ix5 s ASP 133 Ca 0.41 -0.02 -0.25 0.00 0.43 0.00 0.00 52.55 53.12 1ix5 s ASP 133 Cb -0.06 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 40.07 1ix5 s ASP 133 CO 0.08 -2.37 1.56 -0.26 -0.17 0.00 0.00 175.17 174.01 1ix5 h PHE 134 N 13.51 -1.39 0.00 -5.34 -1.00 0.29 0.25 116.94 123.26 1ix5 h PHE 134 Ca -0.17 0.10 0.00 0.00 2.81 0.00 0.00 57.97 60.71 1ix5 h PHE 134 Cb 1.11 0.71 0.00 0.00 3.61 0.00 0.00 35.95 41.38 1ix5 h PHE 134 CO 1.10 -0.41 0.00 0.09 -1.61 0.00 0.00 178.31 177.48 1ix5 n ASN 135 N -5.39 0.00 -3.68 2.17 5.03 -1.21 -4.18 115.26 108.00 1ix5 n ASN 135 Ca 0.03 0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.50 1ix5 n ASN 135 Cb 0.34 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.10 1ix5 n ASN 135 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 1ix5 s HIS 136 N 0.00 -0.01 0.12 3.10 5.65 -1.26 -4.91 115.29 117.98 1ix5 s HIS 136 Ca 0.00 -0.12 -0.15 0.00 0.25 0.00 0.00 55.06 55.03 1ix5 s HIS 136 Cb 0.00 0.57 -0.02 0.00 -1.18 0.00 0.00 32.58 31.94 1ix5 s HIS 136 CO 0.00 -0.34 1.58 1.49 -0.65 0.00 0.00 174.74 176.82 1ix5 h GLU 137 N 2.00 0.67 -0.65 2.88 4.57 -1.88 -2.67 114.58 119.50 1ix5 h GLU 137 Ca -0.27 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1ix5 h GLU 137 Cb 1.20 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1ix5 h GLU 137 CO 0.30 0.75 0.00 1.28 -1.18 0.00 0.00 179.01 180.16 1ix5 n LEU 138 N -4.48 3.63 -4.74 1.64 4.77 -1.26 -4.85 117.00 111.70 1ix5 n LEU 138 Ca -0.01 -1.82 -0.42 0.00 -0.03 0.00 0.00 56.01 53.74 1ix5 n LEU 138 Cb 0.27 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1ix5 n LEU 138 CO 0.40 0.85 1.21 0.00 -1.33 0.00 0.00 177.39 178.52 1ix5 s ALA 139 N -1.24 3.74 -1.26 -1.18 0.00 -1.01 -2.11 121.76 118.70 1ix5 s ALA 139 Ca 0.44 1.47 -0.15 0.00 0.00 0.00 0.00 51.96 53.72 1ix5 s ALA 139 Cb 0.24 -3.62 0.14 0.00 0.00 0.00 0.00 23.12 19.88 1ix5 s ALA 139 CO 0.28 -0.87 0.43 0.41 0.00 0.00 0.00 175.76 176.01 1ix5 n GLY 140 N 2.62 -0.44 3.14 0.00 0.00 -1.10 -4.76 105.19 104.63 1ix5 n GLY 140 Ca 0.09 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1ix5 n GLY 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ix5 s LYS 141 N -6.42 0.39 0.01 1.61 0.00 -0.90 -4.89 119.74 109.54 1ix5 s LYS 141 Ca 0.54 0.07 -0.10 0.00 0.00 0.00 0.00 55.97 56.48 1ix5 s LYS 141 Cb -0.31 0.18 -0.05 0.00 0.00 0.00 0.00 37.83 37.65 1ix5 s LYS 141 CO 0.66 -0.08 0.33 -0.51 0.00 0.00 0.00 175.35 175.75 1ix5 s ASP 142 N -0.48 6.61 0.11 0.03 1.01 -1.26 -3.10 116.67 119.59 1ix5 s ASP 142 Ca -0.06 0.72 0.05 0.00 0.71 0.00 0.00 52.55 53.97 1ix5 s ASP 142 Cb -0.04 -2.15 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 1ix5 s ASP 142 CO 0.01 0.26 -0.13 -1.48 0.21 0.00 0.00 175.17 174.05 1ix5 s LEU 143 N -1.56 2.38 0.90 1.23 2.34 -0.68 -4.24 118.68 119.06 1ix5 s LEU 143 Ca 0.27 -0.78 -0.12 0.00 0.06 0.00 0.00 54.13 53.56 1ix5 s LEU 143 Cb -0.14 -0.47 0.13 0.00 -0.56 0.00 0.00 46.19 45.15 1ix5 s LEU 143 CO 0.15 -0.17 1.12 -0.69 -1.06 0.00 0.00 176.35 175.70 1ix5 s VAL 144 N -2.08 2.29 -0.39 1.48 1.01 -0.93 -0.08 120.40 121.69 1ix5 s VAL 144 Ca 0.06 0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.19 1ix5 s VAL 144 Cb -0.05 -2.78 0.17 0.00 0.00 0.00 0.00 36.38 33.72 1ix5 s VAL 144 CO 0.02 -0.12 0.52 -0.36 0.00 0.00 0.00 175.10 175.16 1ix5 s PHE 145 N -3.17 -1.13 -1.40 5.22 0.08 0.24 -2.53 117.98 115.29 1ix5 s PHE 145 Ca 0.63 -0.19 -0.09 0.00 0.12 0.00 0.00 56.93 57.40 1ix5 s PHE 145 Cb -0.16 0.01 -0.08 0.00 -0.57 0.00 0.00 43.02 42.23 1ix5 s PHE 145 CO 0.54 -1.09 2.95 2.41 -0.10 0.00 0.00 175.22 179.94 1ix5 n THR 146 N 4.35 4.30 -0.51 0.64 -1.04 -1.19 -2.71 114.28 118.13 1ix5 n THR 146 Ca 0.11 -2.72 -0.26 0.00 -2.04 0.00 0.00 64.05 59.14 1ix5 n THR 146 Cb 0.52 -2.46 0.19 0.00 -1.82 0.00 0.00 70.33 66.76 1ix5 n THR 146 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1ix5 n ILE 147 N 3.17 0.00 -3.00 12.58 5.41 -1.21 -1.99 119.36 134.31 1ix5 n ILE 147 Ca 0.73 -0.16 0.04 0.00 1.00 0.00 0.00 62.75 64.36 1ix5 n ILE 147 Cb 0.31 -0.67 0.00 0.00 -0.71 0.00 0.00 39.64 38.58 1ix5 n ILE 147 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1ix5 s LYS 148 N -3.83 0.08 0.26 0.38 2.36 -1.22 -3.68 119.74 114.09 1ix5 s LYS 148 Ca 0.51 0.03 -0.30 0.00 -2.55 0.00 0.00 55.97 53.67 1ix5 s LYS 148 Cb -0.11 0.02 -0.11 0.00 -1.05 0.00 0.00 37.83 36.59 1ix5 s LYS 148 CO 0.52 -0.13 1.56 0.42 1.55 0.00 0.00 175.35 179.26 1ix5 s ILE 149 N 2.64 2.28 0.00 5.43 -1.09 -0.39 -1.37 121.20 128.71 1ix5 s ILE 149 Ca 0.25 0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.90 1ix5 s ILE 149 Cb 0.01 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 1ix5 s ILE 149 CO -0.20 0.03 0.00 -0.38 -1.23 0.00 0.00 174.94 173.16 1ix5 n ILE 150 N 2.53 0.00 -3.51 2.92 5.41 -0.88 0.13 119.36 125.96 1ix5 n ILE 150 Ca 0.09 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.80 1ix5 n ILE 150 Cb 0.38 -0.43 0.01 0.00 -0.71 0.00 0.00 39.64 38.90 1ix5 n ILE 150 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1ix5 n GLU 151 N -1.67 0.54 -3.84 0.38 2.13 -1.17 -4.65 120.64 112.35 1ix5 n GLU 151 Ca 0.00 -1.09 -0.13 0.00 0.66 0.00 0.00 57.16 56.60 1ix5 n GLU 151 Cb 0.29 1.39 -0.14 0.00 0.27 0.00 0.00 31.44 33.24 1ix5 n GLU 151 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1ix5 s VAL 152 N -2.44 -0.02 0.00 6.31 1.01 -1.26 -2.80 120.40 121.21 1ix5 s VAL 152 Ca 0.10 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.13 1ix5 s VAL 152 Cb -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 36.38 36.32 1ix5 s VAL 152 CO 0.05 0.02 0.00 0.52 0.00 0.00 0.00 175.10 175.70 1ix5 n VAL 153 N 3.36 0.00 0.00 2.92 0.31 0.64 -4.89 118.33 120.67 1ix5 n VAL 153 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1ix5 n VAL 153 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 1ix5 n VAL 153 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72