#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qdw n LYS 2 N 0.00 0.82 -3.72 -1.24 4.01 0.50 -4.88 118.16 113.64 2qdw n LYS 2 Ca 0.00 -0.80 -0.13 0.00 -0.51 0.00 0.00 58.31 56.87 2qdw n LYS 2 Cb 0.00 -1.09 -0.08 0.00 -0.51 0.00 0.00 35.03 33.35 2qdw n LYS 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qdw s ALA 3 N -0.79 -0.89 0.25 7.82 0.00 -1.26 -0.88 121.76 126.00 2qdw s ALA 3 Ca 0.08 0.34 0.09 0.00 0.00 0.00 0.00 51.96 52.47 2qdw s ALA 3 Cb 0.06 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 2qdw s ALA 3 CO 0.12 -0.34 -0.00 0.95 0.00 0.00 0.00 175.76 176.49 2qdw s THR 4 N -1.79 3.50 -0.38 0.00 -4.23 0.35 -4.93 115.64 108.17 2qdw s THR 4 Ca -0.10 -1.83 -0.01 0.00 -1.18 0.00 0.00 61.69 58.57 2qdw s THR 4 Cb -0.03 -2.85 0.10 0.00 1.34 0.00 0.00 72.50 71.06 2qdw s THR 4 CO 0.02 -0.33 0.14 -0.63 -0.54 0.00 0.00 174.62 173.29 2qdw s ILE 5 N -2.21 3.05 0.24 2.99 1.01 -1.26 -0.85 121.20 124.17 2qdw s ILE 5 Ca 0.31 -2.01 -0.06 0.00 0.00 0.00 0.00 60.65 58.89 2qdw s ILE 5 Cb -0.07 -3.07 0.20 0.00 0.01 0.00 0.00 42.46 39.53 2qdw s ILE 5 CO 0.20 -0.59 1.85 -0.65 0.00 0.00 0.00 174.94 175.75 2qdw h PRO 6 N 7.96 1.18 -3.90 2.79 0.11 -1.96 -3.40 132.00 134.77 2qdw h PRO 6 Ca -0.12 -0.15 -0.50 0.00 0.11 0.00 0.00 66.00 65.33 2qdw h PRO 6 Cb 1.04 -0.22 -0.38 0.00 0.11 0.00 0.00 31.00 31.55 2qdw h PRO 6 CO 0.64 0.89 -0.78 0.45 -0.21 0.00 0.00 178.00 178.99 2qdw s SER 7 N -6.31 2.30 0.37 -2.05 0.15 -1.26 -5.02 113.70 101.88 2qdw s SER 7 Ca -0.12 -0.43 0.08 0.00 0.70 0.00 0.00 55.95 56.18 2qdw s SER 7 Cb 0.17 -0.68 0.73 0.00 -1.71 0.00 0.00 66.02 64.52 2qdw s SER 7 CO 0.82 -0.20 1.91 -0.33 1.20 0.00 0.00 173.24 176.64 2qdw h GLU 8 N 8.22 0.34 -6.12 5.44 4.39 -1.96 -3.43 114.58 121.47 2qdw h GLU 8 Ca -0.22 -0.07 -0.54 0.00 0.34 0.00 0.00 59.36 58.86 2qdw h GLU 8 Cb 1.12 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.65 2qdw h GLU 8 CO 0.34 0.43 -0.55 -1.12 -1.16 0.00 0.00 179.01 176.95 2qdw s SER 9 N -6.83 4.72 0.88 1.42 0.01 -1.26 -4.56 113.70 108.07 2qdw s SER 9 Ca -0.06 -0.72 -0.11 0.00 1.31 0.00 0.00 55.95 56.37 2qdw s SER 9 Cb 0.15 -0.79 0.12 0.00 0.21 0.00 0.00 66.02 65.71 2qdw s SER 9 CO 0.74 -0.23 1.10 -2.84 0.41 0.00 0.00 173.24 172.42 2qdw s PRO 10 N -3.82 1.40 0.22 12.44 0.02 -1.26 -4.93 135.00 139.07 2qdw s PRO 10 Ca 0.36 1.10 0.00 0.00 0.02 0.00 0.00 61.00 62.48 2qdw s PRO 10 Cb -0.04 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 2qdw s PRO 10 CO 0.22 -2.22 0.14 -0.59 -0.33 0.00 0.00 177.00 174.23 2qdw s PHE 11 N -2.83 1.28 0.32 6.54 -0.71 -0.40 -4.92 117.98 117.26 2qdw s PHE 11 Ca 0.64 -1.39 -0.28 0.00 -1.04 0.00 0.00 56.93 54.85 2qdw s PHE 11 Cb -0.19 -0.63 -0.10 0.00 -1.21 0.00 0.00 43.02 40.90 2qdw s PHE 11 CO 0.57 -0.63 1.17 0.00 -1.34 0.00 0.00 175.22 174.99 2qdw s ALA 12 N -4.02 3.39 0.36 1.99 0.00 -1.26 -0.04 121.76 122.18 2qdw s ALA 12 Ca 0.39 1.00 0.12 0.00 0.00 0.00 0.00 51.96 53.47 2qdw s ALA 12 Cb 0.07 -3.38 0.91 0.00 0.00 0.00 0.00 23.12 20.72 2qdw s ALA 12 CO 0.14 -0.35 1.81 0.00 0.00 0.00 0.00 175.76 177.36 2qdw h ALA 13 N 3.47 1.95 0.00 0.00 0.00 -1.23 0.37 119.26 123.82 2qdw h ALA 13 Ca -0.48 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2qdw h ALA 13 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2qdw h ALA 13 CO 0.66 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.62 2qdw n ALA 14 N -2.42 1.70 1.01 0.00 0.00 -1.26 -2.28 120.51 117.26 2qdw n ALA 14 Ca 0.22 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.70 2qdw n ALA 14 Cb 0.65 -1.23 0.31 0.00 0.00 0.00 0.00 19.45 19.17 2qdw n ALA 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qdw n GLU 15 N -1.44 1.85 -1.67 0.00 1.02 0.12 -5.02 120.64 115.50 2qdw n GLU 15 Ca 0.04 -1.29 -0.45 0.00 -0.02 0.00 0.00 57.16 55.44 2qdw n GLU 15 Cb 0.15 -1.38 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 2qdw n GLU 15 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2qdw n VAL 16 N 0.52 0.71 -2.12 2.62 3.14 -0.97 -4.93 118.33 117.30 2qdw n VAL 16 Ca 0.16 -0.18 -0.38 0.00 -2.96 0.00 0.00 64.34 60.98 2qdw n VAL 16 Cb 0.36 -1.48 0.00 0.00 -1.06 0.00 0.00 33.84 31.66 2qdw n VAL 16 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qdw s ALA 17 N 0.18 2.99 0.34 1.55 0.00 -1.26 -4.98 121.76 120.58 2qdw s ALA 17 Ca 0.71 1.07 -0.29 0.00 0.00 0.00 0.00 51.96 53.45 2qdw s ALA 17 Cb -0.66 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 18.91 2qdw s ALA 17 CO 0.47 -0.83 1.47 -0.51 0.00 0.00 0.00 175.76 176.35 2qdw s ASP 18 N -1.16 6.45 0.00 0.00 -0.00 -1.26 -1.99 116.67 118.71 2qdw s ASP 18 Ca 0.64 2.94 0.00 0.00 -0.00 0.00 0.00 52.55 56.13 2qdw s ASP 18 Cb -0.33 -2.66 0.00 0.00 -0.00 0.00 0.00 42.92 39.94 2qdw s ASP 18 CO 0.40 -0.81 0.00 0.61 -0.00 0.00 0.00 175.17 175.37 2qdw n GLY 19 N 0.93 2.67 3.75 0.21 0.00 -1.26 -5.04 105.19 106.46 2qdw n GLY 19 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2qdw n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qdw s ALA 20 N -2.37 2.67 -0.17 4.61 0.00 -0.84 -4.76 121.76 120.89 2qdw s ALA 20 Ca 0.00 1.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.95 2qdw s ALA 20 Cb 0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 2qdw s ALA 20 CO 0.00 -1.20 0.26 0.42 0.00 0.00 0.00 175.76 175.24 2qdw s ILE 21 N -1.47 5.33 -0.17 0.00 -1.09 0.59 -4.88 121.20 119.50 2qdw s ILE 21 Ca 0.74 0.46 -0.08 0.00 -2.23 0.00 0.00 60.65 59.54 2qdw s ILE 21 Cb -0.34 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 2qdw s ILE 21 CO 0.38 0.39 0.12 -0.69 -1.23 0.00 0.00 174.94 173.92 2qdw s VAL 22 N 0.50 5.36 -0.26 2.92 1.01 -1.26 -0.73 120.40 127.93 2qdw s VAL 22 Ca 0.14 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.25 2qdw s VAL 22 Cb -0.13 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.87 2qdw s VAL 22 CO 0.03 0.51 0.00 -0.69 0.00 0.00 0.00 175.10 174.95 2qdw s VAL 23 N -0.20 3.44 0.22 2.92 1.01 0.08 -4.96 120.40 122.91 2qdw s VAL 23 Ca 0.10 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 61.01 2qdw s VAL 23 Cb -0.11 -2.73 -0.09 0.00 0.00 0.00 0.00 36.38 33.45 2qdw s VAL 23 CO 0.01 0.18 0.88 -1.81 0.00 0.00 0.00 175.10 174.36 2qdw s ASP 24 N 1.42 7.53 -0.41 3.32 1.01 -1.26 -1.54 116.67 126.74 2qdw s ASP 24 Ca 0.02 1.83 -0.12 0.00 0.71 0.00 0.00 52.55 54.99 2qdw s ASP 24 Cb -0.17 -2.57 0.04 0.00 1.01 0.00 0.00 42.92 41.24 2qdw s ASP 24 CO -0.01 0.16 0.27 -0.63 0.21 0.00 0.00 175.17 175.16 2qdw s ILE 25 N -1.21 4.76 0.08 0.77 1.01 0.42 -0.64 121.20 126.38 2qdw s ILE 25 Ca 0.40 -0.96 -0.22 0.00 0.00 0.00 0.00 60.65 59.87 2qdw s ILE 25 Cb -0.24 -3.74 0.06 0.00 0.01 0.00 0.00 42.46 38.54 2qdw s ILE 25 CO 0.29 -0.36 0.54 0.00 0.00 0.00 0.00 174.94 175.41 2qdw s ALA 26 N 1.57 -1.38 -1.07 9.38 0.00 -0.93 -1.11 121.76 128.22 2qdw s ALA 26 Ca 0.03 0.55 -0.06 0.00 0.00 0.00 0.00 51.96 52.47 2qdw s ALA 26 Cb -0.21 0.52 0.05 0.00 0.00 0.00 0.00 23.12 23.48 2qdw s ALA 26 CO 0.07 -0.58 0.30 1.63 0.00 0.00 0.00 175.76 177.17 2qdw n LYS 27 N 0.17 -2.89 -2.23 0.00 5.02 -1.26 -1.71 118.16 115.26 2qdw n LYS 27 Ca -0.18 0.42 -0.20 0.00 -2.02 0.00 0.00 58.31 56.34 2qdw n LYS 27 Cb 0.62 -5.06 -0.03 0.00 -0.02 0.00 0.00 35.03 30.54 2qdw n LYS 27 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2qdw n MET 28 N -3.33 -1.70 -4.09 1.97 2.81 -1.26 -4.96 117.12 106.56 2qdw n MET 28 Ca -0.04 0.99 -0.08 0.00 -1.81 0.00 0.00 57.70 56.76 2qdw n MET 28 Cb 0.55 -5.59 -0.10 0.00 -0.71 0.00 0.00 33.22 27.37 2qdw n MET 28 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2qdw s LYS 29 N -4.75 0.62 -0.38 0.03 -2.85 -0.69 -4.83 119.74 106.89 2qdw s LYS 29 Ca 0.00 -1.15 -0.29 0.00 -1.00 0.00 0.00 55.97 53.53 2qdw s LYS 29 Cb 0.00 0.08 0.01 0.00 -2.06 0.00 0.00 37.83 35.86 2qdw s LYS 29 CO 0.00 -0.07 1.22 0.71 0.10 0.00 0.00 175.35 177.31 2qdw s TYR 30 N -3.43 2.78 -0.37 1.78 2.02 -1.26 -2.20 117.35 116.68 2qdw s TYR 30 Ca 0.04 0.87 0.26 0.00 -0.37 0.00 0.00 57.07 57.88 2qdw s TYR 30 Cb 0.04 -4.08 1.04 0.00 -0.40 0.00 0.00 41.96 38.56 2qdw s TYR 30 CO -0.07 -1.41 1.78 0.93 -1.57 0.00 0.00 175.55 175.21 2qdw h GLU 31 N 9.23 0.00 -3.30 -0.62 5.08 -1.16 -3.11 114.58 120.69 2qdw h GLU 31 Ca -0.24 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.48 2qdw h GLU 31 Cb 1.08 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.92 2qdw h GLU 31 CO 1.07 0.00 -0.57 0.99 -1.00 0.00 0.00 179.01 179.50 2qdw s THR 32 N -3.37 2.83 -0.73 1.13 2.01 -1.26 -4.97 115.64 111.27 2qdw s THR 32 Ca 0.04 -3.61 0.25 0.00 0.31 0.00 0.00 61.69 58.69 2qdw s THR 32 Cb 0.09 -2.91 0.26 0.00 0.01 0.00 0.00 72.50 69.96 2qdw s THR 32 CO 0.46 -0.88 1.77 -0.81 -0.69 0.00 0.00 174.62 174.47 2qdw n PRO 33 N 2.76 0.20 -3.76 4.92 -0.04 -1.18 -4.27 135.00 133.62 2qdw n PRO 33 Ca 0.10 0.23 -0.29 0.00 -0.04 0.00 0.00 63.50 63.50 2qdw n PRO 33 Cb 0.33 -1.76 -0.15 0.00 -0.04 0.00 0.00 33.50 31.88 2qdw n PRO 33 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2qdw s GLU 34 N -3.13 0.82 -0.13 0.54 2.12 -1.26 -0.45 118.70 117.21 2qdw s GLU 34 Ca 0.10 -0.92 -0.03 0.00 0.36 0.00 0.00 54.97 54.47 2qdw s GLU 34 Cb 0.12 -2.11 -0.03 0.00 0.26 0.00 0.00 34.13 32.37 2qdw s GLU 34 CO 0.53 -0.86 -0.01 -1.17 -0.54 0.00 0.00 175.26 173.21 2qdw s LEU 35 N 1.64 3.45 -0.19 2.70 2.96 -0.82 -5.00 118.68 123.41 2qdw s LEU 35 Ca 0.05 0.01 -0.04 0.00 -0.22 0.00 0.00 54.13 53.93 2qdw s LEU 35 Cb -0.17 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 2qdw s LEU 35 CO -0.19 0.26 -0.02 -1.00 -1.32 0.00 0.00 176.35 174.09 2qdw s HIS 36 N -0.17 3.01 0.30 5.38 3.76 -1.26 -0.46 115.29 125.86 2qdw s HIS 36 Ca 0.04 -0.50 0.03 0.00 -0.15 0.00 0.00 55.06 54.48 2qdw s HIS 36 Cb -0.13 -2.05 -0.04 0.00 1.11 0.00 0.00 32.58 31.47 2qdw s HIS 36 CO 0.02 -0.24 0.13 0.14 -0.85 0.00 0.00 174.74 173.94 2qdw s VAL 37 N 0.92 0.48 0.21 -0.90 -7.23 -0.09 -4.98 120.40 108.82 2qdw s VAL 37 Ca 0.01 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.23 2qdw s VAL 37 Cb -0.14 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 2qdw s VAL 37 CO 0.02 0.00 0.27 -0.54 -0.31 0.00 0.00 175.10 174.53 2qdw s LYS 38 N -3.88 3.22 0.24 4.82 1.02 -1.26 -0.61 119.74 123.29 2qdw s LYS 38 Ca 0.35 -0.83 -0.31 0.00 0.02 0.00 0.00 55.97 55.20 2qdw s LYS 38 Cb 0.06 -2.78 -0.13 0.00 -0.52 0.00 0.00 37.83 34.46 2qdw s LYS 38 CO 0.16 0.45 1.43 0.28 -0.92 0.00 0.00 175.35 176.75 2qdw n VAL 39 N -1.03 0.89 0.00 3.17 0.31 -1.26 -1.61 118.33 118.80 2qdw n VAL 39 Ca -0.08 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2qdw n VAL 39 Cb 0.56 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 2qdw n VAL 39 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qdw n GLY 40 N 2.24 1.11 3.79 2.92 0.00 0.96 -5.01 105.19 111.19 2qdw n GLY 40 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2qdw n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qdw s ASP 41 N -2.61 6.70 -0.24 1.61 1.01 -0.63 -4.75 116.67 117.77 2qdw s ASP 41 Ca 0.00 1.98 -0.10 0.00 0.71 0.00 0.00 52.55 55.14 2qdw s ASP 41 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 2qdw s ASP 41 CO 0.00 -0.53 0.15 -0.89 0.21 0.00 0.00 175.17 174.11 2qdw s THR 42 N -1.76 5.29 -0.17 -1.27 2.01 -1.26 -1.36 115.64 117.12 2qdw s THR 42 Ca 0.60 0.15 -0.08 0.00 0.31 0.00 0.00 61.69 62.67 2qdw s THR 42 Cb -0.20 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 2qdw s THR 42 CO 0.25 0.36 0.10 -0.69 -0.69 0.00 0.00 174.62 173.94 2qdw s VAL 43 N 1.01 5.13 -0.12 3.82 1.01 0.17 -0.30 120.40 131.12 2qdw s VAL 43 Ca 0.07 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.16 2qdw s VAL 43 Cb -0.13 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.96 2qdw s VAL 43 CO 0.04 0.50 -0.19 -0.89 0.00 0.00 0.00 175.10 174.56 2qdw s THR 44 N -0.01 1.78 -0.00 3.92 2.01 0.09 -0.98 115.64 122.45 2qdw s THR 44 Ca 0.08 -0.81 -0.13 0.00 0.31 0.00 0.00 61.69 61.13 2qdw s THR 44 Cb -0.12 -1.60 -0.06 0.00 0.01 0.00 0.00 72.50 70.74 2qdw s THR 44 CO 0.00 0.50 0.39 0.26 -0.69 0.00 0.00 174.62 175.07 2qdw s TRP 45 N 0.90 3.70 -0.12 4.92 0.51 -0.00 -0.74 118.94 128.11 2qdw s TRP 45 Ca -0.07 0.93 0.01 0.00 -2.12 0.00 0.00 56.10 54.86 2qdw s TRP 45 Cb -0.15 -2.24 0.02 0.00 -0.81 0.00 0.00 33.47 30.28 2qdw s TRP 45 CO -0.02 0.64 -0.14 0.42 -0.51 0.00 0.00 176.95 177.34 2qdw s ILE 46 N -1.11 1.43 -0.40 2.03 1.01 -0.59 -1.36 121.20 122.20 2qdw s ILE 46 Ca 0.24 -0.58 -0.26 0.00 0.00 0.00 0.00 60.65 60.05 2qdw s ILE 46 Cb -0.16 -1.33 0.02 0.00 0.01 0.00 0.00 42.46 41.00 2qdw s ILE 46 CO 0.13 0.43 0.94 0.21 0.00 0.00 0.00 174.94 176.65 2qdw s ASN 47 N 1.20 6.62 0.00 3.58 2.47 0.08 -0.44 114.94 128.46 2qdw s ASN 47 Ca -0.02 0.43 0.27 0.00 0.42 0.00 0.00 52.86 53.96 2qdw s ASN 47 Cb -0.14 -2.47 0.85 0.00 -1.45 0.00 0.00 41.25 38.05 2qdw s ASN 47 CO -0.05 -0.95 1.63 0.54 -3.72 0.00 0.00 177.10 174.56 2qdw n ARG 48 N 6.98 1.68 -4.15 0.43 5.12 -0.27 0.07 116.66 126.51 2qdw n ARG 48 Ca 0.07 -1.07 -0.22 0.00 -1.93 0.00 0.00 57.85 54.69 2qdw n ARG 48 Cb 0.48 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 30.25 2qdw n ARG 48 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2qdw s GLU 49 N -2.06 2.68 0.24 5.56 2.02 -1.26 -4.76 118.70 121.12 2qdw s GLU 49 Ca 0.34 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 54.13 2qdw s GLU 49 Cb 0.21 -2.41 0.29 0.00 0.10 0.00 0.00 34.13 32.32 2qdw s GLU 49 CO 0.35 0.35 1.64 0.00 0.02 0.00 0.00 175.26 177.62 2qdw h ALA 50 N 1.60 0.94 -2.52 5.21 0.00 -1.96 -3.26 119.26 119.27 2qdw h ALA 50 Ca -0.47 -0.41 -0.49 0.00 0.00 0.00 0.00 54.91 53.55 2qdw h ALA 50 Cb 1.24 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.96 2qdw h ALA 50 CO 0.61 0.62 0.42 0.00 0.00 0.00 0.00 179.25 180.90 2qdw s ALA 51 N -4.30 3.00 0.48 0.00 0.00 -1.26 -4.54 121.76 115.14 2qdw s ALA 51 Ca -0.07 0.74 -0.21 0.00 0.00 0.00 0.00 51.96 52.43 2qdw s ALA 51 Cb 0.13 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.87 2qdw s ALA 51 CO 0.81 -0.37 1.05 -1.25 0.00 0.00 0.00 175.76 176.01 2qdw s PRO 52 N -2.73 3.79 0.05 0.00 0.04 -1.26 -4.73 135.00 130.15 2qdw s PRO 52 Ca 0.62 1.42 -0.03 0.00 0.04 0.00 0.00 61.00 63.05 2qdw s PRO 52 Cb -0.23 -2.15 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 2qdw s PRO 52 CO 0.28 -0.45 0.03 -1.01 0.04 0.00 0.00 177.00 175.89 2qdw s HIS 53 N -1.90 0.35 0.09 0.56 3.76 -1.14 -4.90 115.29 112.11 2qdw s HIS 53 Ca 0.67 -0.78 0.01 0.00 -0.15 0.00 0.00 55.06 54.81 2qdw s HIS 53 Cb -0.18 -0.25 -0.00 0.00 1.11 0.00 0.00 32.58 33.25 2qdw s HIS 53 CO 0.22 -0.37 0.11 0.27 -0.85 0.00 0.00 174.74 174.12 2qdw n ASN 54 N 0.49 -0.28 -4.21 1.40 6.94 -1.26 -0.80 115.26 117.53 2qdw n ASN 54 Ca -0.17 -1.57 -0.26 0.00 -0.02 0.00 0.00 54.58 52.56 2qdw n ASN 54 Cb 0.60 0.58 -0.15 0.00 -2.36 0.00 0.00 39.78 38.44 2qdw n ASN 54 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 2qdw s VAL 55 N -2.45 1.56 -0.05 3.53 -7.23 -1.26 -4.39 120.40 110.11 2qdw s VAL 55 Ca 0.10 -0.91 -0.02 0.00 -1.81 0.00 0.00 61.98 59.34 2qdw s VAL 55 Cb 0.00 -1.31 0.03 0.00 0.56 0.00 0.00 36.38 35.67 2qdw s VAL 55 CO 0.07 0.39 0.08 -2.28 -0.31 0.00 0.00 175.10 173.04 2qdw s HIS 56 N -0.53 0.02 -0.20 2.82 5.04 0.45 -0.26 115.29 122.63 2qdw s HIS 56 Ca 0.07 0.32 -0.04 0.00 -1.54 0.00 0.00 55.06 53.87 2qdw s HIS 56 Cb -0.08 -0.44 -0.02 0.00 0.04 0.00 0.00 32.58 32.08 2qdw s HIS 56 CO -0.00 -0.20 -0.02 -0.06 -2.34 0.00 0.00 174.74 172.12 2qdw s PHE 57 N 2.18 3.00 0.87 3.88 0.40 -0.07 -1.30 117.98 126.93 2qdw s PHE 57 Ca 0.04 -0.58 -0.11 0.00 -0.60 0.00 0.00 56.93 55.68 2qdw s PHE 57 Cb -0.12 -2.07 0.11 0.00 0.51 0.00 0.00 43.02 41.45 2qdw s PHE 57 CO -0.03 -0.31 1.09 0.14 0.70 0.00 0.00 175.22 176.81 2qdw s VAL 58 N 1.06 2.78 0.37 -0.44 -7.23 -1.26 -0.70 120.40 114.98 2qdw s VAL 58 Ca 0.02 0.25 -0.27 0.00 -1.81 0.00 0.00 61.98 60.17 2qdw s VAL 58 Cb -0.14 -2.76 -0.11 0.00 0.56 0.00 0.00 36.38 33.92 2qdw s VAL 58 CO 0.01 -0.33 1.29 0.00 -0.31 0.00 0.00 175.10 175.76 2qdw n ALA 59 N -3.80 1.33 -0.25 1.32 0.00 -1.26 -2.22 120.51 115.62 2qdw n ALA 59 Ca 0.07 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2qdw n ALA 59 Cb 0.55 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.74 2qdw n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qdw n GLY 60 N 0.78 1.10 0.08 0.00 0.00 0.29 -4.87 105.19 102.56 2qdw n GLY 60 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 2qdw n GLY 60 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qdw n VAL 61 N -2.00 1.44 1.20 1.61 0.31 -0.94 -4.51 118.33 115.44 2qdw n VAL 61 Ca 0.00 0.17 0.13 0.00 -0.01 0.00 0.00 64.34 64.62 2qdw n VAL 61 Cb 0.00 -2.34 0.27 0.00 -0.91 0.00 0.00 33.84 30.87 2qdw n VAL 61 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qdw n LEU 62 N -4.57 1.69 0.00 7.52 4.77 -1.26 -4.88 117.00 120.27 2qdw n LEU 62 Ca -0.12 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 2qdw n LEU 62 Cb 0.36 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2qdw n LEU 62 CO 0.13 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2qdw n GLY 63 N 1.32 -1.26 0.14 -0.72 0.00 -1.26 -0.37 105.19 103.04 2qdw n GLY 63 Ca 0.13 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 2qdw n GLY 63 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qdw h GLU 64 N 0.00 0.37 -6.88 1.61 5.08 -1.96 0.84 114.58 113.64 2qdw h GLU 64 Ca 0.00 -0.10 -0.50 0.00 -1.00 0.00 0.00 59.36 57.76 2qdw h GLU 64 Cb 0.00 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.22 2qdw h GLU 64 CO 0.00 0.52 0.12 0.00 -1.00 0.00 0.00 179.01 178.65 2qdw s ALA 65 N -5.15 3.37 0.56 3.43 0.00 -1.26 -3.02 121.76 119.69 2qdw s ALA 65 Ca -0.14 -0.32 -0.21 0.00 0.00 0.00 0.00 51.96 51.29 2qdw s ALA 65 Cb 0.07 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 2qdw s ALA 65 CO 0.73 -0.15 1.36 0.00 0.00 0.00 0.00 175.76 177.70 2qdw s ALA 66 N -2.52 2.76 -0.45 0.00 0.00 -1.26 -4.27 121.76 116.02 2qdw s ALA 66 Ca 0.50 1.34 -0.09 0.00 0.00 0.00 0.00 51.96 53.71 2qdw s ALA 66 Cb -0.10 -3.58 0.10 0.00 0.00 0.00 0.00 23.12 19.54 2qdw s ALA 66 CO 0.37 -1.44 0.30 -1.17 0.00 0.00 0.00 175.76 173.83 2qdw s LEU 67 N -3.65 5.44 -0.53 0.00 2.96 0.12 -4.89 118.68 118.15 2qdw s LEU 67 Ca 0.73 -1.74 -0.15 0.00 -0.22 0.00 0.00 54.13 52.75 2qdw s LEU 67 Cb -0.41 -1.99 0.13 0.00 0.50 0.00 0.00 46.19 44.42 2qdw s LEU 67 CO 0.47 -0.62 0.47 -0.75 -1.32 0.00 0.00 176.35 174.61 2qdw s LYS 68 N 1.38 2.89 0.78 1.98 2.20 -1.26 -0.90 119.74 126.82 2qdw s LYS 68 Ca 0.05 -1.72 -0.12 0.00 -0.36 0.00 0.00 55.97 53.82 2qdw s LYS 68 Cb -0.25 -4.23 0.06 0.00 -1.51 0.00 0.00 37.83 31.91 2qdw s LYS 68 CO 0.00 -1.30 1.12 0.20 -0.36 0.00 0.00 175.35 175.01 2qdw s GLY 69 N 3.42 1.82 0.67 5.54 0.00 0.64 -4.97 107.32 114.44 2qdw s GLY 69 Ca 0.04 0.44 -0.15 0.00 0.00 0.00 0.00 44.72 45.04 2qdw s GLY 69 CO 0.02 0.81 1.13 2.56 0.00 0.00 0.00 173.10 177.62 2qdw s PRO 70 N -4.62 2.72 -0.04 2.90 0.04 -1.26 -4.64 135.00 130.09 2qdw s PRO 70 Ca 0.65 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.84 2qdw s PRO 70 Cb -0.20 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2qdw s PRO 70 CO 0.53 -1.33 1.36 -1.64 0.04 0.00 0.00 177.00 175.96 2qdw s MET 71 N -4.03 4.28 -0.18 4.56 -1.94 -1.26 -4.56 119.30 116.16 2qdw s MET 71 Ca 0.68 1.87 -0.18 0.00 -1.71 0.00 0.00 55.69 56.36 2qdw s MET 71 Cb -0.22 -3.64 -0.04 0.00 2.01 0.00 0.00 34.83 32.95 2qdw s MET 71 CO 0.41 -0.59 0.48 -1.64 -0.01 0.00 0.00 175.02 173.68 2qdw s MET 72 N 2.67 4.22 0.96 2.03 -1.94 0.02 -4.83 119.30 122.42 2qdw s MET 72 Ca 0.61 0.38 -0.15 0.00 -1.71 0.00 0.00 55.69 54.82 2qdw s MET 72 Cb -0.29 -3.53 0.17 0.00 2.01 0.00 0.00 34.83 33.20 2qdw s MET 72 CO 0.24 -0.05 1.20 0.15 -0.01 0.00 0.00 175.02 176.54 2qdw s LYS 73 N 1.33 0.70 0.25 2.03 -0.14 -1.26 -2.88 119.74 119.77 2qdw s LYS 73 Ca 0.23 -0.02 -0.31 0.00 -1.36 0.00 0.00 55.97 54.51 2qdw s LYS 73 Cb -0.15 -1.82 -0.13 0.00 -1.68 0.00 0.00 37.83 34.05 2qdw s LYS 73 CO 0.09 -2.43 1.45 1.17 -0.76 0.00 0.00 175.35 174.87 2qdw n LYS 74 N -3.87 2.17 -2.30 1.68 4.81 -1.23 -1.50 118.16 117.93 2qdw n LYS 74 Ca 0.11 0.77 -0.18 0.00 -0.87 0.00 0.00 58.31 58.14 2qdw n LYS 74 Cb 0.60 -2.45 -0.01 0.00 0.02 0.00 0.00 35.03 33.18 2qdw n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2qdw n GLU 75 N 2.05 -1.40 -4.16 1.64 -0.58 0.11 -5.00 120.64 113.30 2qdw n GLU 75 Ca 0.11 0.87 -0.22 0.00 -0.42 0.00 0.00 57.16 57.50 2qdw n GLU 75 Cb 0.33 -5.34 -0.06 0.00 -0.57 0.00 0.00 31.44 25.79 2qdw n GLU 75 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2qdw s GLN 76 N -4.81 2.54 0.12 3.49 -0.21 -0.56 -0.77 119.66 119.46 2qdw s GLN 76 Ca 0.00 -1.32 0.02 0.00 0.02 0.00 0.00 55.36 54.08 2qdw s GLN 76 Cb 0.00 -2.31 -0.04 0.00 1.00 0.00 0.00 33.01 31.65 2qdw s GLN 76 CO 0.00 0.30 -0.07 0.00 -2.12 0.00 0.00 175.29 173.41 2qdw s ALA 77 N -2.28 1.12 -0.18 6.09 0.00 0.94 -0.74 121.76 126.71 2qdw s ALA 77 Ca 0.34 -1.41 -0.15 0.00 0.00 0.00 0.00 51.96 50.74 2qdw s ALA 77 Cb -0.06 0.18 0.05 0.00 0.00 0.00 0.00 23.12 23.29 2qdw s ALA 77 CO 0.23 -0.21 0.47 -0.47 0.00 0.00 0.00 175.76 175.77 2qdw s TYR 78 N -3.57 -0.57 0.12 0.00 5.04 -0.46 -1.27 117.35 116.65 2qdw s TYR 78 Ca 0.14 1.32 0.10 0.00 -2.44 0.00 0.00 57.07 56.19 2qdw s TYR 78 Cb 0.05 0.22 -0.04 0.00 0.35 0.00 0.00 41.96 42.54 2qdw s TYR 78 CO -0.03 -0.28 -0.24 -1.12 -1.34 0.00 0.00 175.55 172.54 2qdw s SER 79 N 0.55 2.94 -0.01 4.32 0.01 -1.26 -0.82 113.70 119.44 2qdw s SER 79 Ca -0.02 -0.74 0.02 0.00 1.31 0.00 0.00 55.95 56.52 2qdw s SER 79 Cb -0.04 -0.18 -0.00 0.00 0.21 0.00 0.00 66.02 66.00 2qdw s SER 79 CO -0.03 0.11 -0.07 -0.76 0.41 0.00 0.00 173.24 172.90 2qdw s LEU 80 N -2.07 1.91 -0.31 2.44 1.43 -0.15 -4.17 118.68 117.76 2qdw s LEU 80 Ca 0.11 -0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 52.99 2qdw s LEU 80 Cb -0.10 -0.40 -0.00 0.00 0.03 0.00 0.00 46.19 45.72 2qdw s LEU 80 CO 0.06 0.07 0.13 -0.89 0.23 0.00 0.00 176.35 175.94 2qdw s THR 81 N -0.01 4.38 -0.04 5.49 2.01 -0.03 -0.66 115.64 126.78 2qdw s THR 81 Ca 0.01 -0.52 -0.24 0.00 0.31 0.00 0.00 61.69 61.24 2qdw s THR 81 Cb -0.05 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 2qdw s THR 81 CO -0.00 0.07 0.72 -0.36 -0.69 0.00 0.00 174.62 174.35 2qdw s PHE 82 N 1.57 3.61 -0.55 4.92 0.40 -0.47 -0.49 117.98 126.97 2qdw s PHE 82 Ca 0.04 1.30 0.05 0.00 -0.60 0.00 0.00 56.93 57.72 2qdw s PHE 82 Cb -0.17 -2.81 0.02 0.00 0.51 0.00 0.00 43.02 40.56 2qdw s PHE 82 CO 0.05 0.12 0.54 0.25 0.70 0.00 0.00 175.22 176.88 2qdw n THR 83 N 3.60 0.00 -3.81 0.64 -2.24 -0.06 -0.03 114.28 112.38 2qdw n THR 83 Ca -0.01 -0.47 -0.12 0.00 -2.27 0.00 0.00 64.05 61.17 2qdw n THR 83 Cb 0.51 1.08 -0.12 0.00 -2.10 0.00 0.00 70.33 69.71 2qdw n THR 83 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2qdw s GLU 84 N -0.72 0.29 0.54 -0.78 2.12 -1.23 -4.78 118.70 114.14 2qdw s GLU 84 Ca 0.05 0.14 -0.22 0.00 0.36 0.00 0.00 54.97 55.30 2qdw s GLU 84 Cb 0.04 0.14 -0.05 0.00 0.26 0.00 0.00 34.13 34.52 2qdw s GLU 84 CO 0.10 -0.05 1.35 0.00 -0.54 0.00 0.00 175.26 176.12 2qdw s ALA 85 N -0.22 2.84 0.00 6.30 0.00 -1.26 -4.83 121.76 124.59 2qdw s ALA 85 Ca -0.03 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2qdw s ALA 85 Cb -0.03 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2qdw s ALA 85 CO 0.01 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 174.84 2qdw n GLY 86 N 0.70 -2.09 3.09 0.00 0.00 -0.49 -4.96 105.19 101.44 2qdw n GLY 86 Ca 0.10 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 2qdw n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qdw s THR 87 N -2.50 1.95 -0.33 2.61 2.01 -1.26 -0.55 115.64 117.57 2qdw s THR 87 Ca 0.00 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.14 2qdw s THR 87 Cb 0.00 -1.79 0.10 0.00 0.01 0.00 0.00 72.50 70.82 2qdw s THR 87 CO 0.00 0.49 0.04 -0.31 -0.69 0.00 0.00 174.62 174.15 2qdw s TYR 88 N 1.33 3.61 0.37 4.92 2.02 0.21 -4.99 117.35 124.82 2qdw s TYR 88 Ca 0.04 -2.87 -0.24 0.00 -0.37 0.00 0.00 57.07 53.63 2qdw s TYR 88 Cb -0.13 -2.76 -0.10 0.00 -0.40 0.00 0.00 41.96 38.56 2qdw s TYR 88 CO -0.12 -0.94 0.96 -0.51 -1.57 0.00 0.00 175.55 173.37 2qdw s ASP 89 N 0.96 7.11 0.18 2.29 1.01 -1.26 -1.22 116.67 125.74 2qdw s ASP 89 Ca 0.09 1.81 -0.09 0.00 0.71 0.00 0.00 52.55 55.07 2qdw s ASP 89 Cb -0.19 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.16 2qdw s ASP 89 CO -0.09 -0.24 0.30 -0.72 0.21 0.00 0.00 175.17 174.64 2qdw s TYR 90 N -1.83 0.47 0.29 4.23 1.13 -0.06 -4.57 117.35 117.01 2qdw s TYR 90 Ca 0.56 -0.82 -0.05 0.00 -1.41 0.00 0.00 57.07 55.35 2qdw s TYR 90 Cb -0.16 -0.06 -0.01 0.00 -1.10 0.00 0.00 41.96 40.63 2qdw s TYR 90 CO 0.20 -0.76 0.41 -3.38 -2.51 0.00 0.00 175.55 169.52 2qdw s HIS 91 N -3.99 0.86 -0.22 -3.49 -3.43 -0.42 -1.32 115.29 103.27 2qdw s HIS 91 Ca 0.20 -1.13 -0.14 0.00 -0.80 0.00 0.00 55.06 53.19 2qdw s HIS 91 Cb 0.03 -0.09 -0.04 0.00 -1.43 0.00 0.00 32.58 31.05 2qdw s HIS 91 CO 0.03 -1.00 0.33 0.00 -2.00 0.00 0.00 174.74 172.10 2qdw h THR 93 N 5.05 0.58 0.00 0.00 2.02 -1.91 -2.19 112.91 116.47 2qdw h THR 93 Ca -0.36 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 2qdw h THR 93 Cb 1.16 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 2qdw h THR 93 CO 0.69 0.00 -0.29 1.55 0.37 0.00 0.00 175.52 177.84 2qdw h PRO 94 N -0.52 0.00 -2.11 6.66 0.13 -1.95 -3.36 132.00 130.86 2qdw h PRO 94 Ca -0.04 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.51 2qdw h PRO 94 Cb 0.42 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.15 2qdw h PRO 94 CO 0.05 0.29 -0.87 0.72 -0.23 0.00 0.00 178.00 177.96 2qdw n HIS 95 N -3.59 1.47 0.81 1.56 8.25 -1.07 -4.98 115.22 117.66 2qdw n HIS 95 Ca -0.01 -3.83 0.09 0.00 -0.26 0.00 0.00 57.72 53.71 2qdw n HIS 95 Cb 0.42 -0.44 0.44 0.00 1.12 0.00 0.00 29.99 31.54 2qdw n HIS 95 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2qdw n PRO 96 N 1.19 0.22 0.30 -0.41 -0.04 -0.84 -0.95 135.00 134.46 2qdw n PRO 96 Ca 0.25 0.13 0.20 0.00 -0.04 0.00 0.00 63.50 64.04 2qdw n PRO 96 Cb 0.47 -1.50 1.03 0.00 -0.04 0.00 0.00 33.50 33.46 2qdw n PRO 96 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2qdw h PHE 97 N 0.00 0.00 -3.38 0.54 -5.15 -1.94 -3.42 116.94 103.59 2qdw h PHE 97 Ca 0.00 0.00 -0.59 0.00 -0.20 0.00 0.00 57.97 57.18 2qdw h PHE 97 Cb 0.19 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 36.27 2qdw h PHE 97 CO 0.00 0.00 0.64 -1.64 -2.00 0.00 0.00 178.31 175.31 2qdw s MET 98 N -3.96 3.99 0.02 6.09 -1.94 -0.12 -5.01 119.30 118.36 2qdw s MET 98 Ca -0.03 0.81 0.05 0.00 -1.71 0.00 0.00 55.69 54.81 2qdw s MET 98 Cb 0.11 -3.75 -0.02 0.00 2.01 0.00 0.00 34.83 33.19 2qdw s MET 98 CO 0.41 -0.83 -0.14 1.03 -0.01 0.00 0.00 175.02 175.48 2qdw s ARG 99 N 3.37 1.02 0.34 2.03 1.81 -1.26 -1.97 118.95 124.28 2qdw s ARG 99 Ca 0.39 -0.66 -0.06 0.00 -1.72 0.00 0.00 55.73 53.68 2qdw s ARG 99 Cb -0.13 -1.01 0.01 0.00 -0.45 0.00 0.00 34.95 33.37 2qdw s ARG 99 CO 0.15 0.26 0.52 0.20 -0.68 0.00 0.00 175.30 175.75 2qdw s GLY 100 N -0.83 1.21 -0.02 -3.53 0.00 -0.44 -4.74 107.32 98.96 2qdw s GLY 100 Ca 0.03 -1.33 -0.15 0.00 0.00 0.00 0.00 44.72 43.27 2qdw s GLY 100 CO 0.01 -0.86 0.33 -1.59 0.00 0.00 0.00 173.10 170.99 2qdw s LYS 101 N -3.08 0.66 -0.19 2.90 -2.85 0.41 -0.88 119.74 116.72 2qdw s LYS 101 Ca 0.27 -0.13 -0.02 0.00 -1.00 0.00 0.00 55.97 55.09 2qdw s LYS 101 Cb -0.01 0.30 -0.01 0.00 -2.06 0.00 0.00 37.83 36.05 2qdw s LYS 101 CO 0.17 -0.18 -0.08 0.08 0.10 0.00 0.00 175.35 175.45 2qdw s VAL 102 N -1.21 3.17 -0.29 1.79 1.01 -0.35 -1.94 120.40 122.57 2qdw s VAL 102 Ca -0.12 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 2qdw s VAL 102 Cb -0.05 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2qdw s VAL 102 CO 0.04 0.46 0.16 -0.69 0.00 0.00 0.00 175.10 175.08 2qdw s VAL 103 N 1.15 4.92 -0.24 2.92 1.01 0.40 -0.62 120.40 129.94 2qdw s VAL 103 Ca 0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 2qdw s VAL 103 Cb -0.14 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 2qdw s VAL 103 CO -0.02 0.18 0.04 -0.69 0.00 0.00 0.00 175.10 174.61 2qdw s VAL 104 N 1.69 4.07 -2.73 2.92 1.01 0.29 -0.91 120.40 126.73 2qdw s VAL 104 Ca 0.06 -0.26 0.26 0.00 0.00 0.00 0.00 61.98 62.05 2qdw s VAL 104 Cb -0.16 -2.89 0.39 0.00 0.00 0.00 0.00 36.38 33.72 2qdw s VAL 104 CO 0.08 0.36 1.52 -0.62 0.00 0.00 0.00 175.10 176.45