#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxa n LYS 2 N 0.00 1.90 -3.83 -1.24 5.02 0.87 -4.95 118.16 115.93 1bxa n LYS 2 Ca 0.00 -1.74 -0.12 0.00 -2.02 0.00 0.00 58.31 54.43 1bxa n LYS 2 Cb 0.00 -1.29 -0.10 0.00 -0.02 0.00 0.00 35.03 33.63 1bxa n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bxa s ALA 3 N -1.04 -0.48 0.20 7.82 0.00 -1.26 -1.26 121.76 125.74 1bxa s ALA 3 Ca 0.22 0.12 0.10 0.00 0.00 0.00 0.00 51.96 52.39 1bxa s ALA 3 Cb 0.13 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1bxa s ALA 3 CO 0.18 -0.20 -0.13 0.95 0.00 0.00 0.00 175.76 176.56 1bxa s THR 4 N -1.10 2.98 -0.30 0.00 -4.23 -0.05 -4.95 115.64 107.99 1bxa s THR 4 Ca -0.12 -1.81 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1bxa s THR 4 Cb -0.06 -2.48 0.06 0.00 1.34 0.00 0.00 72.50 71.35 1bxa s THR 4 CO 0.02 -0.15 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.31 1bxa s ILE 5 N -1.80 2.87 0.22 2.99 1.01 -1.26 -1.27 121.20 123.96 1bxa s ILE 5 Ca 0.25 -1.47 -0.07 0.00 0.00 0.00 0.00 60.65 59.35 1bxa s ILE 5 Cb -0.08 -2.68 0.15 0.00 0.01 0.00 0.00 42.46 39.86 1bxa s ILE 5 CO 0.14 -0.14 1.77 -0.65 0.00 0.00 0.00 174.94 176.07 1bxa h PRO 6 N 7.96 1.17 -3.64 2.79 0.11 -1.97 -3.42 132.00 135.01 1bxa h PRO 6 Ca -0.20 -0.22 -0.41 0.00 0.11 0.00 0.00 66.00 65.28 1bxa h PRO 6 Cb 1.06 -0.18 -0.37 0.00 0.11 0.00 0.00 31.00 31.61 1bxa h PRO 6 CO 0.53 0.96 -0.76 0.45 -0.21 0.00 0.00 178.00 178.97 1bxa s SER 7 N -6.39 1.26 0.31 -2.05 0.15 -1.26 -5.02 113.70 100.69 1bxa s SER 7 Ca -0.12 -0.04 0.09 0.00 0.70 0.00 0.00 55.95 56.58 1bxa s SER 7 Cb 0.16 -0.34 0.49 0.00 -1.71 0.00 0.00 66.02 64.62 1bxa s SER 7 CO 0.84 -0.18 1.70 -0.33 1.20 0.00 0.00 173.24 176.47 1bxa h GLU 8 N 8.11 0.13 -6.36 5.44 4.39 -1.96 -3.44 114.58 120.89 1bxa h GLU 8 Ca -0.23 -0.06 -0.55 0.00 0.34 0.00 0.00 59.36 58.86 1bxa h GLU 8 Cb 1.13 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.74 1bxa h GLU 8 CO 0.28 0.56 -0.12 0.45 -1.16 0.00 0.00 179.01 179.03 1bxa s SER 9 N -6.89 6.71 0.81 1.42 0.15 -1.26 -4.63 113.70 110.01 1bxa s SER 9 Ca -0.03 0.97 -0.12 0.00 0.70 0.00 0.00 55.95 57.46 1bxa s SER 9 Cb 0.13 -2.25 0.09 0.00 -1.71 0.00 0.00 66.02 62.28 1bxa s SER 9 CO 0.76 0.02 1.16 -2.84 1.20 0.00 0.00 173.24 173.54 1bxa s PRO 10 N -2.37 1.70 0.19 5.44 0.02 -1.26 -4.95 135.00 133.76 1bxa s PRO 10 Ca 0.42 1.57 -0.00 0.00 0.02 0.00 0.00 61.00 63.01 1bxa s PRO 10 Cb -0.13 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 1bxa s PRO 10 CO 0.20 -2.13 0.08 -0.59 -0.33 0.00 0.00 177.00 174.23 1bxa s PHE 11 N -2.42 1.17 0.51 6.54 -0.71 -0.50 -4.90 117.98 117.66 1bxa s PHE 11 Ca 0.69 -1.23 -0.23 0.00 -1.04 0.00 0.00 56.93 55.12 1bxa s PHE 11 Cb -0.24 -0.64 -0.06 0.00 -1.21 0.00 0.00 43.02 40.87 1bxa s PHE 11 CO 0.52 -0.46 1.30 0.00 -1.34 0.00 0.00 175.22 175.24 1bxa s ALA 12 N -3.95 2.92 0.44 1.99 0.00 -1.26 0.21 121.76 122.11 1bxa s ALA 12 Ca 0.32 1.21 0.12 0.00 0.00 0.00 0.00 51.96 53.61 1bxa s ALA 12 Cb 0.07 -3.51 1.01 0.00 0.00 0.00 0.00 23.12 20.69 1bxa s ALA 12 CO 0.08 -1.11 2.02 0.00 0.00 0.00 0.00 175.76 176.75 1bxa h ALA 13 N 1.76 1.93 0.00 0.00 0.00 -1.37 -0.15 119.26 121.43 1bxa h ALA 13 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1bxa h ALA 13 Cb 1.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1bxa h ALA 13 CO 0.59 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1bxa n ALA 14 N -2.51 1.59 0.13 0.00 0.00 -1.26 -2.30 120.51 116.15 1bxa n ALA 14 Ca 0.07 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1bxa n ALA 14 Cb 0.25 -1.35 0.27 0.00 0.00 0.00 0.00 19.45 18.63 1bxa n ALA 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bxa n GLU 15 N -2.10 2.50 -2.28 0.00 1.02 -0.07 -4.96 120.64 114.75 1bxa n GLU 15 Ca 0.02 -2.30 -0.41 0.00 -0.02 0.00 0.00 57.16 54.45 1bxa n GLU 15 Cb 0.20 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 1bxa n GLU 15 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1bxa s VAL 16 N -1.31 3.26 0.57 2.62 1.01 -0.97 -4.96 120.40 120.62 1bxa s VAL 16 Ca 0.42 1.12 -0.20 0.00 0.00 0.00 0.00 61.98 63.31 1bxa s VAL 16 Cb 0.23 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 1bxa s VAL 16 CO 0.31 0.20 1.11 0.00 0.00 0.00 0.00 175.10 176.72 1bxa n ALA 17 N 2.05 0.66 -0.19 5.51 0.00 -1.26 -4.91 120.51 122.36 1bxa n ALA 17 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1bxa n ALA 17 Cb 0.43 -2.19 0.10 0.00 0.00 0.00 0.00 19.45 17.79 1bxa n ALA 17 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1bxa h ASP 18 N 0.89 -0.04 -0.12 0.00 3.32 -1.99 -2.22 116.42 116.26 1bxa h ASP 18 Ca -0.49 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 1bxa h ASP 18 Cb 1.34 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 41.06 1bxa h ASP 18 CO 0.53 -0.01 0.00 0.61 -1.72 0.00 0.00 179.24 178.66 1bxa n GLY 19 N -1.32 1.83 3.76 2.75 0.00 -1.26 -4.98 105.19 105.97 1bxa n GLY 19 Ca 0.08 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1bxa n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxa s ALA 20 N -1.37 3.37 -0.52 4.61 0.00 -0.84 -4.98 121.76 122.03 1bxa s ALA 20 Ca 0.12 1.01 -0.19 0.00 0.00 0.00 0.00 51.96 52.89 1bxa s ALA 20 Cb 0.09 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.90 1bxa s ALA 20 CO 0.03 -0.37 0.62 0.42 0.00 0.00 0.00 175.76 176.46 1bxa s ILE 21 N -1.23 4.89 -0.14 0.00 1.01 -1.25 -5.01 121.20 119.46 1bxa s ILE 21 Ca 0.49 -0.59 -0.04 0.00 0.00 0.00 0.00 60.65 60.51 1bxa s ILE 21 Cb -0.33 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 37.79 1bxa s ILE 21 CO 0.43 -0.83 -0.02 -0.69 0.00 0.00 0.00 174.94 173.83 1bxa s VAL 22 N 2.58 4.11 -0.27 2.92 1.01 -1.26 -0.75 120.40 128.74 1bxa s VAL 22 Ca 0.14 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 1bxa s VAL 22 Cb -0.20 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1bxa s VAL 22 CO 0.11 0.52 0.02 -0.69 0.00 0.00 0.00 175.10 175.05 1bxa s VAL 23 N 0.05 3.52 0.38 2.92 1.01 -0.00 -4.97 120.40 123.31 1bxa s VAL 23 Ca 0.01 -0.77 -0.24 0.00 0.00 0.00 0.00 61.98 60.99 1bxa s VAL 23 Cb -0.13 -2.78 -0.10 0.00 0.00 0.00 0.00 36.38 33.37 1bxa s VAL 23 CO 0.02 0.17 0.98 -1.81 0.00 0.00 0.00 175.10 174.46 1bxa s ASP 24 N 1.44 7.02 -0.20 3.32 1.01 -1.26 -1.18 116.67 126.82 1bxa s ASP 24 Ca 0.02 1.84 -0.00 0.00 0.71 0.00 0.00 52.55 55.12 1bxa s ASP 24 Cb -0.17 -2.57 0.01 0.00 1.01 0.00 0.00 42.92 41.21 1bxa s ASP 24 CO -0.01 -0.30 -0.15 -0.63 0.21 0.00 0.00 175.17 174.30 1bxa s ILE 25 N -1.83 2.48 0.07 0.77 1.01 -0.04 -0.76 121.20 122.90 1bxa s ILE 25 Ca 0.57 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 60.16 1bxa s ILE 25 Cb -0.16 -2.09 0.06 0.00 0.01 0.00 0.00 42.46 40.28 1bxa s ILE 25 CO 0.21 0.49 0.55 0.00 0.00 0.00 0.00 174.94 176.19 1bxa s ALA 26 N 1.34 -1.42 -1.50 9.38 0.00 -0.91 -0.67 121.76 127.98 1bxa s ALA 26 Ca 0.05 0.62 -0.06 0.00 0.00 0.00 0.00 51.96 52.57 1bxa s ALA 26 Cb -0.14 0.47 0.02 0.00 0.00 0.00 0.00 23.12 23.48 1bxa s ALA 26 CO -0.10 -0.56 0.58 1.63 0.00 0.00 0.00 175.76 177.31 1bxa n LYS 27 N 0.24 -4.57 -2.75 0.00 5.02 -1.26 -1.61 118.16 113.23 1bxa n LYS 27 Ca -0.18 0.82 -0.21 0.00 -2.02 0.00 0.00 58.31 56.71 1bxa n LYS 27 Cb 0.61 -5.65 0.01 0.00 -0.02 0.00 0.00 35.03 29.99 1bxa n LYS 27 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1bxa n MET 28 N -3.97 -3.37 -3.87 1.97 2.81 -1.26 -4.99 117.12 104.43 1bxa n MET 28 Ca -0.09 0.93 -0.11 0.00 -1.81 0.00 0.00 57.70 56.61 1bxa n MET 28 Cb 0.60 -5.69 -0.09 0.00 -0.71 0.00 0.00 33.22 27.33 1bxa n MET 28 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1bxa s LYS 29 N -5.41 0.54 -0.22 0.03 -2.85 -0.64 -4.80 119.74 106.40 1bxa s LYS 29 Ca 0.17 -0.50 -0.29 0.00 -1.00 0.00 0.00 55.97 54.35 1bxa s LYS 29 Cb -0.07 0.22 -0.00 0.00 -2.06 0.00 0.00 37.83 35.91 1bxa s LYS 29 CO 0.20 -0.14 1.24 0.71 0.10 0.00 0.00 175.35 177.47 1bxa s TYR 30 N -1.80 2.87 0.33 1.78 2.02 -1.26 -2.15 117.35 119.14 1bxa s TYR 30 Ca -0.11 1.03 0.26 0.00 -0.37 0.00 0.00 57.07 57.87 1bxa s TYR 30 Cb -0.05 -3.60 1.25 0.00 -0.40 0.00 0.00 41.96 39.15 1bxa s TYR 30 CO -0.00 -1.51 1.98 0.93 -1.57 0.00 0.00 175.55 175.38 1bxa h GLU 31 N 8.43 0.00 -3.33 -0.62 5.08 -1.27 -3.24 114.58 119.63 1bxa h GLU 31 Ca -0.25 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.47 1bxa h GLU 31 Cb 1.09 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.93 1bxa h GLU 31 CO 0.99 0.17 -0.63 0.99 -1.00 0.00 0.00 179.01 179.53 1bxa s THR 32 N -4.03 2.56 -0.42 1.13 2.01 -1.26 -4.97 115.64 110.65 1bxa s THR 32 Ca -0.02 -3.38 0.26 0.00 0.31 0.00 0.00 61.69 58.87 1bxa s THR 32 Cb 0.12 -2.77 0.31 0.00 0.01 0.00 0.00 72.50 70.18 1bxa s THR 32 CO 0.61 -0.82 1.77 1.55 -0.69 0.00 0.00 174.62 177.03 1bxa h PRO 33 N 6.40 0.00 -3.73 4.92 0.13 -1.90 -3.38 132.00 134.45 1bxa h PRO 33 Ca -0.06 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.49 1bxa h PRO 33 Cb 0.88 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.61 1bxa h PRO 33 CO 0.68 0.00 -0.76 -2.00 -0.23 0.00 0.00 178.00 175.69 1bxa s GLU 34 N -3.30 0.86 -0.14 0.86 2.12 -1.26 -0.51 118.70 117.33 1bxa s GLU 34 Ca 0.06 -1.02 -0.03 0.00 0.36 0.00 0.00 54.97 54.34 1bxa s GLU 34 Cb 0.09 -2.16 -0.03 0.00 0.26 0.00 0.00 34.13 32.29 1bxa s GLU 34 CO 0.55 -0.88 -0.02 -1.17 -0.54 0.00 0.00 175.26 173.19 1bxa s LEU 35 N 1.58 3.37 -0.21 2.70 2.96 -0.90 -5.00 118.68 123.17 1bxa s LEU 35 Ca 0.06 -0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.88 1bxa s LEU 35 Cb -0.18 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 1bxa s LEU 35 CO -0.19 0.23 0.00 -1.00 -1.32 0.00 0.00 176.35 174.07 1bxa s HIS 36 N 0.02 3.03 0.34 5.38 3.76 -1.26 -0.10 115.29 126.46 1bxa s HIS 36 Ca 0.01 -0.53 0.03 0.00 -0.15 0.00 0.00 55.06 54.43 1bxa s HIS 36 Cb -0.13 -2.11 -0.04 0.00 1.11 0.00 0.00 32.58 31.41 1bxa s HIS 36 CO 0.02 -0.30 0.13 0.14 -0.85 0.00 0.00 174.74 173.88 1bxa s VAL 37 N 1.16 0.57 0.23 -0.90 -7.23 -0.16 -4.98 120.40 109.10 1bxa s VAL 37 Ca 0.03 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.25 1bxa s VAL 37 Cb -0.14 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 1bxa s VAL 37 CO 0.01 0.00 0.34 -0.54 -0.31 0.00 0.00 175.10 174.61 1bxa s LYS 38 N -3.79 3.41 0.11 4.82 1.02 -1.26 -0.52 119.74 123.53 1bxa s LYS 38 Ca 0.32 -0.76 -0.34 0.00 0.02 0.00 0.00 55.97 55.20 1bxa s LYS 38 Cb 0.05 -2.88 -0.14 0.00 -0.52 0.00 0.00 37.83 34.34 1bxa s LYS 38 CO 0.16 0.44 1.62 0.28 -0.92 0.00 0.00 175.35 176.93 1bxa n VAL 39 N -1.32 0.11 0.00 3.17 0.31 -1.26 -1.59 118.33 117.74 1bxa n VAL 39 Ca -0.09 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1bxa n VAL 39 Cb 0.57 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 1bxa n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bxa n GLY 40 N 3.56 0.27 3.78 2.92 0.00 0.12 -5.01 105.19 110.82 1bxa n GLY 40 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1bxa n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bxa s ASP 41 N -2.00 6.77 -0.23 1.61 1.01 -0.62 -4.75 116.67 118.45 1bxa s ASP 41 Ca 0.00 2.08 -0.09 0.00 0.71 0.00 0.00 52.55 55.25 1bxa s ASP 41 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1bxa s ASP 41 CO 0.00 -0.49 0.12 -0.89 0.21 0.00 0.00 175.17 174.12 1bxa s THR 42 N -1.61 4.98 -0.15 -1.27 2.01 -1.26 -1.53 115.64 116.81 1bxa s THR 42 Ca 0.57 0.05 -0.09 0.00 0.31 0.00 0.00 61.69 62.52 1bxa s THR 42 Cb -0.23 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 1bxa s THR 42 CO 0.29 0.36 0.16 -0.69 -0.69 0.00 0.00 174.62 174.06 1bxa s VAL 43 N 1.12 5.43 -0.15 3.82 1.01 0.38 -3.89 120.40 128.12 1bxa s VAL 43 Ca 0.06 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.33 1bxa s VAL 43 Cb -0.14 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1bxa s VAL 43 CO 0.04 0.53 -0.20 -0.89 0.00 0.00 0.00 175.10 174.58 1bxa s THR 44 N -0.35 1.99 0.01 3.92 2.01 0.07 -1.00 115.64 122.29 1bxa s THR 44 Ca 0.13 -0.92 -0.16 0.00 0.31 0.00 0.00 61.69 61.05 1bxa s THR 44 Cb -0.12 -1.78 -0.06 0.00 0.01 0.00 0.00 72.50 70.56 1bxa s THR 44 CO 0.02 0.53 0.45 0.26 -0.69 0.00 0.00 174.62 175.19 1bxa s TRP 45 N 1.03 3.73 -0.12 4.92 0.51 -0.11 -0.82 118.94 128.08 1bxa s TRP 45 Ca -0.02 1.05 0.01 0.00 -2.12 0.00 0.00 56.10 55.01 1bxa s TRP 45 Cb -0.14 -2.35 0.02 0.00 -0.81 0.00 0.00 33.47 30.18 1bxa s TRP 45 CO -0.06 0.60 -0.12 0.42 -0.51 0.00 0.00 176.95 177.28 1bxa s ILE 46 N -0.97 1.34 -0.26 2.03 1.01 -0.33 -1.55 121.20 122.47 1bxa s ILE 46 Ca 0.25 -0.52 -0.29 0.00 0.00 0.00 0.00 60.65 60.09 1bxa s ILE 46 Cb -0.17 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 41.04 1bxa s ILE 46 CO 0.14 0.41 1.11 0.21 0.00 0.00 0.00 174.94 176.81 1bxa s ASN 47 N 1.30 6.98 0.00 3.58 2.47 -0.42 -0.86 114.94 127.99 1bxa s ASN 47 Ca -0.01 1.29 0.23 0.00 0.42 0.00 0.00 52.86 54.79 1bxa s ASN 47 Cb -0.14 -2.54 0.31 0.00 -1.45 0.00 0.00 41.25 37.43 1bxa s ASN 47 CO -0.05 -0.79 1.32 0.54 -3.72 0.00 0.00 177.10 174.40 1bxa n ARG 48 N 6.64 2.39 -4.43 0.43 5.12 0.16 0.03 116.66 126.99 1bxa n ARG 48 Ca 0.12 -2.10 -0.21 0.00 -1.93 0.00 0.00 57.85 53.73 1bxa n ARG 48 Cb 0.46 -1.48 -0.10 0.00 -1.16 0.00 0.00 32.46 30.18 1bxa n ARG 48 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1bxa s GLU 49 N -1.70 1.57 0.35 5.56 -1.05 -1.25 -4.78 118.70 117.39 1bxa s GLU 49 Ca 0.33 -1.82 0.14 0.00 -0.15 0.00 0.00 54.97 53.47 1bxa s GLU 49 Cb 0.21 -1.03 0.64 0.00 -0.44 0.00 0.00 34.13 33.51 1bxa s GLU 49 CO 0.30 -0.05 1.75 0.00 0.95 0.00 0.00 175.26 178.22 1bxa h ALA 50 N 2.24 1.16 -2.48 -0.84 0.00 -1.95 -3.29 119.26 114.09 1bxa h ALA 50 Ca -0.40 -0.40 -0.53 0.00 0.00 0.00 0.00 54.91 53.58 1bxa h ALA 50 Cb 1.24 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.97 1bxa h ALA 50 CO 0.68 0.55 0.88 1.41 0.00 0.00 0.00 179.25 182.77 1bxa s MET 51 N -3.87 4.25 0.41 0.00 0.00 -1.26 -4.55 119.30 114.28 1bxa s MET 51 Ca -0.02 2.18 -0.26 0.00 0.00 0.00 0.00 55.69 57.60 1bxa s MET 51 Cb 0.13 -3.44 -0.09 0.00 0.00 0.00 0.00 34.83 31.43 1bxa s MET 51 CO 0.72 -0.61 1.28 -2.14 0.00 0.00 0.00 175.02 174.27 1bxa s PRO 52 N 2.00 3.96 0.07 4.11 0.02 -1.26 -4.82 135.00 139.08 1bxa s PRO 52 Ca 0.69 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.81 1bxa s PRO 52 Cb -0.38 -2.73 -0.04 0.00 0.02 0.00 0.00 34.50 31.38 1bxa s PRO 52 CO 0.30 -0.48 -0.05 -1.01 -0.33 0.00 0.00 177.00 175.43 1bxa s HIS 53 N -1.29 0.68 0.27 6.54 3.76 -0.99 -4.93 115.29 119.32 1bxa s HIS 53 Ca 0.57 -0.95 0.05 0.00 -0.15 0.00 0.00 55.06 54.58 1bxa s HIS 53 Cb -0.37 -0.44 -0.02 0.00 1.11 0.00 0.00 32.58 32.87 1bxa s HIS 53 CO 0.47 -0.26 0.26 0.27 -0.85 0.00 0.00 174.74 174.63 1bxa n ASN 54 N 0.17 -0.67 -4.32 1.40 6.94 -1.26 -0.14 115.26 117.38 1bxa n ASN 54 Ca -0.14 -2.70 -0.30 0.00 -0.02 0.00 0.00 54.58 51.41 1bxa n ASN 54 Cb 0.60 1.48 -0.15 0.00 -2.36 0.00 0.00 39.78 39.35 1bxa n ASN 54 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1bxa s VAL 55 N -3.01 2.07 -0.11 3.53 -7.23 -1.26 -4.38 120.40 110.00 1bxa s VAL 55 Ca 0.30 -1.21 -0.03 0.00 -1.81 0.00 0.00 61.98 59.22 1bxa s VAL 55 Cb 0.01 -1.74 0.05 0.00 0.56 0.00 0.00 36.38 35.26 1bxa s VAL 55 CO 0.21 0.49 0.09 -2.28 -0.31 0.00 0.00 175.10 173.30 1bxa s HIS 56 N -0.68 0.08 -0.22 2.82 5.04 0.03 -0.46 115.29 121.90 1bxa s HIS 56 Ca 0.11 0.04 -0.06 0.00 -1.54 0.00 0.00 55.06 53.60 1bxa s HIS 56 Cb -0.10 -0.55 -0.03 0.00 0.04 0.00 0.00 32.58 31.94 1bxa s HIS 56 CO 0.00 -0.35 0.04 -0.06 -2.34 0.00 0.00 174.74 172.03 1bxa s PHE 57 N 2.17 3.09 0.88 3.88 0.40 0.14 -1.39 117.98 127.15 1bxa s PHE 57 Ca 0.04 -0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 55.91 1bxa s PHE 57 Cb -0.14 -2.14 0.12 0.00 0.51 0.00 0.00 43.02 41.37 1bxa s PHE 57 CO -0.06 -0.21 1.09 0.14 0.70 0.00 0.00 175.22 176.88 1bxa s VAL 58 N 1.11 2.71 0.26 -0.44 -7.23 -1.26 -0.70 120.40 114.86 1bxa s VAL 58 Ca 0.03 0.23 -0.29 0.00 -1.81 0.00 0.00 61.98 60.14 1bxa s VAL 58 Cb -0.14 -2.77 -0.14 0.00 0.56 0.00 0.00 36.38 33.88 1bxa s VAL 58 CO 0.02 -0.30 1.12 0.00 -0.31 0.00 0.00 175.10 175.63 1bxa n ALA 59 N -3.80 -0.03 0.00 1.32 0.00 -1.26 -2.48 120.51 114.26 1bxa n ALA 59 Ca 0.07 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1bxa n ALA 59 Cb 0.56 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1bxa n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxa n GLY 60 N 1.47 1.41 0.06 0.00 0.00 0.76 -4.87 105.19 104.02 1bxa n GLY 60 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 1bxa n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bxa h VAL 61 N 0.00 0.24 -0.01 1.61 2.07 -1.79 -3.40 116.25 114.98 1bxa h VAL 61 Ca 0.00 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1bxa h VAL 61 Cb 0.00 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1bxa h VAL 61 CO 0.00 0.08 -0.78 0.18 0.02 0.00 0.00 177.57 177.07 1bxa n LEU 62 N -4.67 1.31 0.00 2.57 4.77 -1.26 -4.92 117.00 114.80 1bxa n LEU 62 Ca -0.07 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 1bxa n LEU 62 Cb 0.21 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1bxa n LEU 62 CO 0.09 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1bxa n GLY 63 N 1.47 -1.44 0.23 -0.72 0.00 -1.26 -0.09 105.19 103.37 1bxa n GLY 63 Ca 0.06 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 1bxa n GLY 63 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bxa h GLU 64 N 0.00 0.75 -6.78 1.61 5.08 -1.96 0.22 114.58 113.50 1bxa h GLU 64 Ca 0.00 -0.28 -0.49 0.00 -1.00 0.00 0.00 59.36 57.59 1bxa h GLU 64 Cb 0.00 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.22 1bxa h GLU 64 CO 0.00 0.88 0.02 0.00 -1.00 0.00 0.00 179.01 178.90 1bxa s ALA 65 N -4.83 3.49 0.47 3.43 0.00 -1.26 -3.14 121.76 119.92 1bxa s ALA 65 Ca -0.13 -0.57 -0.25 0.00 0.00 0.00 0.00 51.96 51.02 1bxa s ALA 65 Cb 0.10 -2.46 -0.08 0.00 0.00 0.00 0.00 23.12 20.68 1bxa s ALA 65 CO 0.81 -0.17 1.43 0.00 0.00 0.00 0.00 175.76 177.83 1bxa s ALA 66 N -2.53 3.18 -0.50 0.00 0.00 -1.26 -4.23 121.76 116.42 1bxa s ALA 66 Ca 0.46 1.47 -0.10 0.00 0.00 0.00 0.00 51.96 53.79 1bxa s ALA 66 Cb -0.10 -3.60 0.13 0.00 0.00 0.00 0.00 23.12 19.55 1bxa s ALA 66 CO 0.40 -1.25 0.38 -1.17 0.00 0.00 0.00 175.76 174.12 1bxa s LEU 67 N -2.86 5.77 -0.57 0.00 0.20 0.12 -4.89 118.68 116.45 1bxa s LEU 67 Ca 0.63 -1.99 -0.18 0.00 0.69 0.00 0.00 54.13 53.28 1bxa s LEU 67 Cb -0.44 -2.03 0.11 0.00 -0.43 0.00 0.00 46.19 43.40 1bxa s LEU 67 CO 0.56 -0.69 0.64 -0.75 -0.29 0.00 0.00 176.35 175.82 1bxa s LYS 68 N 1.25 3.03 0.91 1.98 2.20 -1.26 -0.69 119.74 127.16 1bxa s LYS 68 Ca 0.07 -1.40 -0.10 0.00 -0.36 0.00 0.00 55.97 54.17 1bxa s LYS 68 Cb -0.25 -4.26 0.14 0.00 -1.51 0.00 0.00 37.83 31.94 1bxa s LYS 68 CO -0.01 -1.46 1.12 0.20 -0.36 0.00 0.00 175.35 174.84 1bxa s GLY 69 N 3.55 1.67 0.68 5.54 0.00 0.39 -4.99 107.32 114.17 1bxa s GLY 69 Ca 0.09 0.43 -0.14 0.00 0.00 0.00 0.00 44.72 45.10 1bxa s GLY 69 CO 0.06 0.87 1.12 2.56 0.00 0.00 0.00 173.10 177.71 1bxa s PRO 70 N -4.69 2.63 -0.08 2.90 0.04 -1.26 -4.66 135.00 129.88 1bxa s PRO 70 Ca 0.66 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 62.82 1bxa s PRO 70 Cb -0.22 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1bxa s PRO 70 CO 0.58 -1.39 1.38 -1.64 0.04 0.00 0.00 177.00 175.97 1bxa s MET 71 N -4.15 4.25 -0.17 4.56 -1.94 -1.26 -4.53 119.30 116.06 1bxa s MET 71 Ca 0.67 1.87 -0.22 0.00 -1.71 0.00 0.00 55.69 56.31 1bxa s MET 71 Cb -0.21 -3.73 -0.03 0.00 2.01 0.00 0.00 34.83 32.87 1bxa s MET 71 CO 0.44 -0.67 0.67 -1.64 -0.01 0.00 0.00 175.02 173.81 1bxa s MET 72 N 3.13 4.27 0.93 2.03 -1.94 0.80 -4.87 119.30 123.65 1bxa s MET 72 Ca 0.62 0.72 -0.13 0.00 -1.71 0.00 0.00 55.69 55.18 1bxa s MET 72 Cb -0.28 -3.55 0.19 0.00 2.01 0.00 0.00 34.83 33.21 1bxa s MET 72 CO 0.22 -0.18 1.27 0.15 -0.01 0.00 0.00 175.02 176.48 1bxa s LYS 73 N 1.68 0.76 0.21 2.03 1.02 -1.26 -2.36 119.74 121.82 1bxa s LYS 73 Ca 0.32 -0.58 -0.32 0.00 0.02 0.00 0.00 55.97 55.41 1bxa s LYS 73 Cb -0.16 -1.93 -0.13 0.00 -0.52 0.00 0.00 37.83 35.08 1bxa s LYS 73 CO 0.12 -2.28 1.54 1.17 -0.92 0.00 0.00 175.35 174.98 1bxa n LYS 74 N -3.62 2.23 -2.60 1.68 4.81 -1.24 -1.51 118.16 117.91 1bxa n LYS 74 Ca 0.16 0.80 -0.21 0.00 -0.87 0.00 0.00 58.31 58.19 1bxa n LYS 74 Cb 0.60 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 33.11 1bxa n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1bxa n GLU 75 N 2.87 -2.65 -4.09 1.64 -0.58 0.10 -4.99 120.64 112.95 1bxa n GLU 75 Ca 0.14 0.93 -0.22 0.00 -0.42 0.00 0.00 57.16 57.60 1bxa n GLU 75 Cb 0.31 -5.65 -0.05 0.00 -0.57 0.00 0.00 31.44 25.48 1bxa n GLU 75 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1bxa s GLN 76 N -5.25 2.70 0.10 3.49 -0.21 -0.57 -1.01 119.66 118.91 1bxa s GLN 76 Ca 0.09 -1.23 0.01 0.00 0.02 0.00 0.00 55.36 54.25 1bxa s GLN 76 Cb -0.04 -2.42 -0.04 0.00 1.00 0.00 0.00 33.01 31.50 1bxa s GLN 76 CO 0.11 0.30 -0.05 0.00 -2.12 0.00 0.00 175.29 173.53 1bxa s ALA 77 N -2.24 0.95 -0.20 6.09 0.00 0.13 -1.30 121.76 125.19 1bxa s ALA 77 Ca 0.35 -1.36 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 1bxa s ALA 77 Cb -0.07 0.25 0.06 0.00 0.00 0.00 0.00 23.12 23.36 1bxa s ALA 77 CO 0.24 -0.27 0.53 -0.47 0.00 0.00 0.00 175.76 175.79 1bxa s TYR 78 N -3.69 -0.64 0.14 0.00 5.04 -0.60 -1.41 117.35 116.20 1bxa s TYR 78 Ca 0.13 1.48 0.11 0.00 -2.44 0.00 0.00 57.07 56.35 1bxa s TYR 78 Cb 0.06 0.26 -0.04 0.00 0.35 0.00 0.00 41.96 42.58 1bxa s TYR 78 CO -0.04 -0.32 -0.25 -1.12 -1.34 0.00 0.00 175.55 172.48 1bxa s SER 79 N 0.59 3.43 -0.01 4.32 0.01 -1.26 -0.94 113.70 119.84 1bxa s SER 79 Ca -0.02 -0.74 0.01 0.00 1.31 0.00 0.00 55.95 56.51 1bxa s SER 79 Cb -0.05 -0.28 0.01 0.00 0.21 0.00 0.00 66.02 65.91 1bxa s SER 79 CO -0.03 0.17 -0.03 -0.76 0.41 0.00 0.00 173.24 172.99 1bxa s LEU 80 N -2.18 1.75 -0.24 2.44 1.43 -0.17 -4.23 118.68 117.48 1bxa s LEU 80 Ca 0.16 -0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 53.10 1bxa s LEU 80 Cb -0.10 -0.24 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 1bxa s LEU 80 CO 0.07 0.01 0.10 -0.89 0.23 0.00 0.00 176.35 175.88 1bxa s THR 81 N 0.25 4.74 -0.15 5.49 2.01 -0.40 -0.47 115.64 127.11 1bxa s THR 81 Ca -0.02 -0.03 -0.15 0.00 0.31 0.00 0.00 61.69 61.79 1bxa s THR 81 Cb -0.06 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 1bxa s THR 81 CO -0.00 0.34 0.35 -0.36 -0.69 0.00 0.00 174.62 174.26 1bxa s PHE 82 N 1.33 3.47 -0.72 4.92 0.40 -0.58 -0.87 117.98 125.91 1bxa s PHE 82 Ca 0.06 0.67 0.07 0.00 -0.60 0.00 0.00 56.93 57.13 1bxa s PHE 82 Cb -0.15 -2.41 0.02 0.00 0.51 0.00 0.00 43.02 40.99 1bxa s PHE 82 CO 0.05 0.20 0.59 0.25 0.70 0.00 0.00 175.22 177.01 1bxa n THR 83 N 3.68 0.00 -3.85 0.64 -2.24 -0.39 0.14 114.28 112.26 1bxa n THR 83 Ca -0.10 -0.45 -0.12 0.00 -2.27 0.00 0.00 64.05 61.10 1bxa n THR 83 Cb 0.52 1.11 -0.13 0.00 -2.10 0.00 0.00 70.33 69.72 1bxa n THR 83 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1bxa s GLU 84 N -0.91 0.12 0.57 -0.78 2.12 -1.25 -4.78 118.70 113.79 1bxa s GLU 84 Ca 0.07 0.08 -0.21 0.00 0.36 0.00 0.00 54.97 55.27 1bxa s GLU 84 Cb 0.06 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.46 1bxa s GLU 84 CO 0.14 -0.02 1.31 0.00 -0.54 0.00 0.00 175.26 176.16 1bxa s ALA 85 N -0.04 2.70 0.00 6.30 0.00 -1.26 -4.83 121.76 124.62 1bxa s ALA 85 Ca -0.01 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1bxa s ALA 85 Cb -0.01 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1bxa s ALA 85 CO 0.00 -1.35 0.00 0.41 0.00 0.00 0.00 175.76 174.83 1bxa n GLY 86 N 0.72 -0.91 3.29 0.00 0.00 -0.17 -4.96 105.19 103.16 1bxa n GLY 86 Ca 0.12 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 1bxa n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bxa s THR 87 N -2.01 2.84 -0.28 2.61 2.01 -1.26 -0.26 115.64 119.29 1bxa s THR 87 Ca 0.00 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1bxa s THR 87 Cb 0.00 -2.21 0.08 0.00 0.01 0.00 0.00 72.50 70.38 1bxa s THR 87 CO 0.00 0.51 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.11 1bxa s TYR 88 N 0.78 2.94 0.33 4.92 2.02 0.27 -4.99 117.35 123.63 1bxa s TYR 88 Ca -0.05 -2.27 -0.23 0.00 -0.37 0.00 0.00 57.07 54.16 1bxa s TYR 88 Cb -0.15 -2.08 -0.10 0.00 -0.40 0.00 0.00 41.96 39.23 1bxa s TYR 88 CO 0.01 -0.86 0.89 -0.51 -1.57 0.00 0.00 175.55 173.50 1bxa s ASP 89 N 1.20 7.13 0.11 2.29 1.01 -1.26 -1.35 116.67 125.80 1bxa s ASP 89 Ca 0.00 1.67 -0.08 0.00 0.71 0.00 0.00 52.55 54.85 1bxa s ASP 89 Cb -0.19 -2.52 -0.00 0.00 1.01 0.00 0.00 42.92 41.22 1bxa s ASP 89 CO -0.09 -0.14 0.21 -0.72 0.21 0.00 0.00 175.17 174.64 1bxa s TYR 90 N -1.78 0.23 0.26 4.23 1.13 -0.28 -4.63 117.35 116.51 1bxa s TYR 90 Ca 0.52 -0.65 0.00 0.00 -1.41 0.00 0.00 57.07 55.54 1bxa s TYR 90 Cb -0.15 -0.07 -0.03 0.00 -1.10 0.00 0.00 41.96 40.61 1bxa s TYR 90 CO 0.20 -0.59 0.26 -3.38 -2.51 0.00 0.00 175.55 169.53 1bxa s HIS 91 N -3.89 1.25 -0.21 -3.49 -3.43 -0.49 -1.41 115.29 103.62 1bxa s HIS 91 Ca 0.09 -1.39 -0.17 0.00 -0.80 0.00 0.00 55.06 52.79 1bxa s HIS 91 Cb 0.05 -0.47 -0.04 0.00 -1.43 0.00 0.00 32.58 30.69 1bxa s HIS 91 CO -0.08 -0.81 0.45 0.00 -2.00 0.00 0.00 174.74 172.30 1bxa h THR 93 N 5.11 0.36 0.00 0.00 2.02 -1.91 -1.90 112.91 116.59 1bxa h THR 93 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1bxa h THR 93 Cb 1.16 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1bxa h THR 93 CO 0.72 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.80 1bxa n PRO 94 N -5.39 0.19 -3.24 6.66 -0.04 -1.26 -4.21 135.00 127.71 1bxa n PRO 94 Ca -0.04 0.24 -0.24 0.00 -0.04 0.00 0.00 63.50 63.42 1bxa n PRO 94 Cb 0.30 -1.76 -0.07 0.00 -0.04 0.00 0.00 33.50 31.94 1bxa n PRO 94 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1bxa n HIS 95 N -2.09 0.76 0.64 0.54 8.25 -0.75 -4.98 115.22 117.59 1bxa n HIS 95 Ca 0.05 -3.73 0.07 0.00 -0.26 0.00 0.00 57.72 53.85 1bxa n HIS 95 Cb 0.35 -0.41 0.35 0.00 1.12 0.00 0.00 29.99 31.40 1bxa n HIS 95 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1bxa n PRO 96 N 1.17 0.15 0.26 -0.41 -0.04 -0.98 -0.88 135.00 134.28 1bxa n PRO 96 Ca 0.24 0.18 0.17 0.00 -0.04 0.00 0.00 63.50 64.04 1bxa n PRO 96 Cb 0.50 -1.50 0.71 0.00 -0.04 0.00 0.00 33.50 33.17 1bxa n PRO 96 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1bxa h PHE 97 N 0.00 0.00 -3.34 0.54 -5.15 -1.94 -3.41 116.94 103.63 1bxa h PHE 97 Ca 0.00 0.00 -0.57 0.00 -0.20 0.00 0.00 57.97 57.20 1bxa h PHE 97 Cb 0.17 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 36.27 1bxa h PHE 97 CO 0.00 0.00 0.88 -1.64 -2.00 0.00 0.00 178.31 175.55 1bxa s MET 98 N -3.66 4.00 0.04 6.09 -1.94 -0.06 -5.02 119.30 118.75 1bxa s MET 98 Ca 0.01 1.03 0.03 0.00 -1.71 0.00 0.00 55.69 55.04 1bxa s MET 98 Cb 0.09 -3.78 -0.02 0.00 2.01 0.00 0.00 34.83 33.13 1bxa s MET 98 CO 0.50 -1.00 -0.09 1.03 -0.01 0.00 0.00 175.02 175.45 1bxa s ARG 99 N 3.84 0.62 0.32 2.03 1.81 -1.26 -2.07 118.95 124.23 1bxa s ARG 99 Ca 0.47 -0.67 -0.11 0.00 -1.72 0.00 0.00 55.73 53.70 1bxa s ARG 99 Cb -0.12 -0.50 0.02 0.00 -0.45 0.00 0.00 34.95 33.90 1bxa s ARG 99 CO 0.19 0.11 0.58 0.20 -0.68 0.00 0.00 175.30 175.70 1bxa s GLY 100 N -1.24 0.77 -0.00 -3.53 0.00 -0.50 -4.79 107.32 98.02 1bxa s GLY 100 Ca -0.05 -1.02 -0.11 0.00 0.00 0.00 0.00 44.72 43.55 1bxa s GLY 100 CO 0.01 -0.63 0.23 -1.59 0.00 0.00 0.00 173.10 171.12 1bxa s LYS 101 N -3.24 0.59 -0.21 2.90 -2.85 0.33 -1.13 119.74 116.14 1bxa s LYS 101 Ca 0.22 -0.32 -0.03 0.00 -1.00 0.00 0.00 55.97 54.85 1bxa s LYS 101 Cb -0.02 0.26 -0.00 0.00 -2.06 0.00 0.00 37.83 36.00 1bxa s LYS 101 CO 0.13 -0.16 -0.08 0.08 0.10 0.00 0.00 175.35 175.43 1bxa s VAL 102 N -1.46 3.06 -0.39 1.79 1.01 -0.46 -2.13 120.40 121.83 1bxa s VAL 102 Ca -0.13 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 1bxa s VAL 102 Cb -0.06 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.96 1bxa s VAL 102 CO 0.02 0.45 0.31 -0.69 0.00 0.00 0.00 175.10 175.20 1bxa s VAL 103 N 1.43 5.23 -0.27 2.92 1.01 0.86 -0.56 120.40 131.02 1bxa s VAL 103 Ca 0.06 -0.45 -0.10 0.00 0.00 0.00 0.00 61.98 61.48 1bxa s VAL 103 Cb -0.14 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1bxa s VAL 103 CO -0.06 -0.24 0.17 -0.69 0.00 0.00 0.00 175.10 174.29 1bxa s VAL 104 N 1.78 5.22 -0.60 2.92 1.01 0.64 -0.98 120.40 130.39 1bxa s VAL 104 Ca 0.07 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.23 1bxa s VAL 104 Cb -0.18 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 32.77 1bxa s VAL 104 CO 0.11 0.29 0.65 -0.62 0.00 0.00 0.00 175.10 175.53