#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qh5 s LYS 2 N 0.00 1.24 -0.22 2.12 2.20 -0.84 -4.99 119.74 119.26 1qh5 s LYS 2 Ca 0.00 -0.25 -0.04 0.00 -0.36 0.00 0.00 55.97 55.32 1qh5 s LYS 2 Cb 0.00 -1.12 -0.01 0.00 -1.51 0.00 0.00 37.83 35.19 1qh5 s LYS 2 CO 0.00 -0.04 -0.04 0.08 -0.36 0.00 0.00 175.35 174.99 1qh5 s VAL 3 N 0.84 3.40 -0.29 4.02 1.01 -1.26 -0.39 120.40 127.73 1qh5 s VAL 3 Ca -0.12 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1qh5 s VAL 3 Cb -0.15 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1qh5 s VAL 3 CO 0.01 0.42 0.15 -1.61 0.00 0.00 0.00 175.10 174.08 1qh5 s GLU 4 N 1.48 3.61 -0.14 2.72 0.41 0.11 -4.95 118.70 121.94 1qh5 s GLU 4 Ca 0.06 -0.54 -0.29 0.00 -0.41 0.00 0.00 54.97 53.79 1qh5 s GLU 4 Cb -0.14 -3.57 -0.01 0.00 -1.78 0.00 0.00 34.13 28.64 1qh5 s GLU 4 CO -0.03 -0.30 1.05 0.08 -0.49 0.00 0.00 175.26 175.57 1qh5 s VAL 5 N 1.67 4.67 -0.33 2.63 1.01 -1.26 -1.22 120.40 127.57 1qh5 s VAL 5 Ca 0.06 1.96 0.04 0.00 0.00 0.00 0.00 61.98 64.04 1qh5 s VAL 5 Cb -0.16 -4.26 0.09 0.00 0.00 0.00 0.00 36.38 32.05 1qh5 s VAL 5 CO 0.07 -0.06 0.03 -0.76 0.00 0.00 0.00 175.10 174.38 1qh5 s LEU 6 N 2.49 4.44 0.49 3.92 1.43 -0.08 -5.00 118.68 126.37 1qh5 s LEU 6 Ca 0.48 -2.02 -0.24 0.00 -1.03 0.00 0.00 54.13 51.32 1qh5 s LEU 6 Cb -0.18 -1.57 -0.07 0.00 0.03 0.00 0.00 46.19 44.40 1qh5 s LEU 6 CO 0.14 -0.36 1.38 -2.65 0.23 0.00 0.00 176.35 175.10 1qh5 n PRO 7 N 4.31 1.98 -3.93 1.29 -0.02 -1.26 -0.92 135.00 136.46 1qh5 n PRO 7 Ca 0.01 0.71 -0.09 0.00 -2.02 0.00 0.00 63.50 62.11 1qh5 n PRO 7 Cb 0.42 -2.58 -0.09 0.00 -0.02 0.00 0.00 33.50 31.23 1qh5 n PRO 7 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qh5 s ALA 8 N -1.23 -0.05 0.00 3.55 0.00 -0.32 -4.85 121.76 118.86 1qh5 s ALA 8 Ca 0.65 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.05 1qh5 s ALA 8 Cb -0.44 0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1qh5 s ALA 8 CO 0.54 -0.32 0.00 1.28 0.00 0.00 0.00 175.76 177.27 1qh5 n LEU 9 N 0.78 0.00 -0.00 0.00 4.77 -1.26 -1.93 117.00 119.35 1qh5 n LEU 9 Ca -0.19 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.58 1qh5 n LEU 9 Cb 0.58 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.54 1qh5 n LEU 9 CO 0.23 0.00 -0.83 0.41 -1.33 0.00 0.00 177.39 175.87 1qh5 n THR 10 N 0.00 1.77 -2.01 -5.08 -1.04 -1.26 -4.77 114.28 101.89 1qh5 n THR 10 Ca 0.00 -0.66 -0.00 0.00 -2.04 0.00 0.00 64.05 61.35 1qh5 n THR 10 Cb 0.00 -1.71 -0.00 0.00 -1.82 0.00 0.00 70.33 66.80 1qh5 n THR 10 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1qh5 n ASP 11 N -3.46 -0.01 -4.90 8.00 5.68 -1.22 -5.04 116.55 115.60 1qh5 n ASP 11 Ca -0.32 -1.41 -0.28 0.00 -0.50 0.00 0.00 54.79 52.28 1qh5 n ASP 11 Cb 1.05 -0.07 -0.02 0.00 -1.14 0.00 0.00 41.12 40.93 1qh5 n ASP 11 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1qh5 s ASN 12 N -0.42 6.41 -0.09 -1.12 -0.87 -0.81 -0.64 114.94 117.40 1qh5 s ASN 12 Ca 0.00 0.89 0.04 0.00 -1.57 0.00 0.00 52.86 52.22 1qh5 s ASN 12 Cb 0.00 -2.22 -0.00 0.00 -0.02 0.00 0.00 41.25 39.01 1qh5 s ASN 12 CO -0.00 -0.37 -0.23 -0.31 -2.57 0.00 0.00 177.10 173.62 1qh5 s TYR 13 N -2.38 2.40 0.15 2.20 2.02 -0.06 -1.17 117.35 120.52 1qh5 s TYR 13 Ca 0.47 -0.93 0.05 0.00 -0.37 0.00 0.00 57.07 56.29 1qh5 s TYR 13 Cb -0.10 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 1qh5 s TYR 13 CO 0.35 -0.37 0.10 -1.64 -1.57 0.00 0.00 175.55 172.41 1qh5 s MET 14 N 0.30 2.78 -0.09 -0.62 -1.94 -0.09 -4.78 119.30 114.86 1qh5 s MET 14 Ca -0.16 -0.90 -0.00 0.00 -1.71 0.00 0.00 55.69 52.92 1qh5 s MET 14 Cb -0.17 -2.59 0.02 0.00 2.01 0.00 0.00 34.83 34.10 1qh5 s MET 14 CO 0.08 0.49 -0.06 0.71 -0.01 0.00 0.00 175.02 176.23 1qh5 s TYR 15 N -1.69 1.19 -0.39 -0.03 2.02 -0.98 -0.91 117.35 116.57 1qh5 s TYR 15 Ca 0.30 -0.51 -0.20 0.00 -0.37 0.00 0.00 57.07 56.29 1qh5 s TYR 15 Cb -0.10 -1.05 0.01 0.00 -0.40 0.00 0.00 41.96 40.42 1qh5 s TYR 15 CO 0.22 -0.41 0.60 -1.17 -1.57 0.00 0.00 175.55 173.22 1qh5 s LEU 16 N 1.62 4.39 -0.38 -1.29 2.96 -0.35 -0.68 118.68 124.95 1qh5 s LEU 16 Ca 0.02 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.70 1qh5 s LEU 16 Cb -0.13 -2.70 0.02 0.00 0.50 0.00 0.00 46.19 43.88 1qh5 s LEU 16 CO -0.06 -0.63 0.23 -0.69 -1.32 0.00 0.00 176.35 173.89 1qh5 s VAL 17 N 2.64 4.86 -0.17 1.68 1.01 0.25 -0.71 120.40 129.96 1qh5 s VAL 17 Ca 0.22 -0.69 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 1qh5 s VAL 17 Cb -0.15 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1qh5 s VAL 17 CO 0.16 -0.21 0.07 -0.63 0.00 0.00 0.00 175.10 174.49 1qh5 s ILE 18 N 1.62 4.87 -0.51 2.22 1.01 0.48 -1.18 121.20 129.70 1qh5 s ILE 18 Ca 0.04 -0.01 -0.19 0.00 0.00 0.00 0.00 60.65 60.49 1qh5 s ILE 18 Cb -0.19 -3.18 0.06 0.00 0.01 0.00 0.00 42.46 39.17 1qh5 s ILE 18 CO 0.08 0.49 0.63 -0.62 0.00 0.00 0.00 174.94 175.52 1qh5 s ASP 19 N 0.12 6.22 0.59 3.58 2.15 -0.07 -1.98 116.67 127.28 1qh5 s ASP 19 Ca 0.05 -0.95 0.29 0.00 0.43 0.00 0.00 52.55 52.37 1qh5 s ASP 19 Cb -0.12 -2.29 1.77 0.00 -0.30 0.00 0.00 42.92 41.98 1qh5 s ASP 19 CO 0.00 -0.90 2.23 0.44 -0.17 0.00 0.00 175.17 176.77 1qh5 h ASP 20 N 9.00 0.00 0.23 -0.34 3.32 -1.94 -0.80 116.42 125.90 1qh5 h ASP 20 Ca -0.28 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 1qh5 h ASP 20 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1qh5 h ASP 20 CO 0.97 0.00 -0.11 -0.33 -1.72 0.00 0.00 179.24 178.05 1qh5 h GLU 21 N 0.00 -0.30 -0.00 3.56 5.08 -1.95 -3.38 114.58 117.59 1qh5 h GLU 21 Ca 0.01 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1qh5 h GLU 21 Cb 0.08 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1qh5 h GLU 21 CO -0.00 0.00 -0.62 0.25 -1.00 0.00 0.00 179.01 177.64 1qh5 n THR 22 N -4.98 0.00 -1.55 1.13 -2.24 -1.21 -4.96 114.28 100.47 1qh5 n THR 22 Ca -0.07 -0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.59 1qh5 n THR 22 Cb 0.23 0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 68.90 1qh5 n THR 22 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qh5 n LYS 23 N -1.43 -0.80 -3.40 -0.78 4.76 -0.31 -4.95 118.16 111.25 1qh5 n LYS 23 Ca 0.05 0.80 -0.30 0.00 -2.87 0.00 0.00 58.31 56.00 1qh5 n LYS 23 Cb 0.34 -4.80 -0.04 0.00 -1.84 0.00 0.00 35.03 28.69 1qh5 n LYS 23 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1qh5 s GLU 24 N -3.35 3.66 0.04 1.97 2.02 -1.23 -1.17 118.70 120.65 1qh5 s GLU 24 Ca 0.00 0.04 -0.09 0.00 0.02 0.00 0.00 54.97 54.94 1qh5 s GLU 24 Cb 0.00 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.56 1qh5 s GLU 24 CO 0.00 0.27 0.19 0.00 0.02 0.00 0.00 175.26 175.73 1qh5 s ALA 25 N -1.98 -0.35 0.23 5.21 0.00 -0.33 -0.89 121.76 123.65 1qh5 s ALA 25 Ca 0.44 -0.27 0.09 0.00 0.00 0.00 0.00 51.96 52.22 1qh5 s ALA 25 Cb -0.11 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1qh5 s ALA 25 CO 0.28 -0.35 -0.01 0.00 0.00 0.00 0.00 175.76 175.68 1qh5 s ALA 26 N -2.47 3.16 -0.10 0.00 0.00 -0.33 -1.24 121.76 120.77 1qh5 s ALA 26 Ca -0.06 -1.55 0.02 0.00 0.00 0.00 0.00 51.96 50.37 1qh5 s ALA 26 Cb -0.02 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.28 1qh5 s ALA 26 CO -0.03 0.35 -0.15 -1.50 0.00 0.00 0.00 175.76 174.43 1qh5 s ILE 27 N -2.08 1.43 -0.20 0.00 1.10 -0.45 -0.58 121.20 120.42 1qh5 s ILE 27 Ca 0.29 -0.61 -0.15 0.00 -0.51 0.00 0.00 60.65 59.68 1qh5 s ILE 27 Cb -0.08 -1.31 -0.04 0.00 0.15 0.00 0.00 42.46 41.18 1qh5 s ILE 27 CO 0.19 0.43 0.35 -0.69 -2.11 0.00 0.00 174.94 173.11 1qh5 s VAL 28 N 0.96 5.24 -0.89 4.00 1.01 0.14 -1.12 120.40 129.74 1qh5 s VAL 28 Ca -0.08 0.61 -0.06 0.00 0.00 0.00 0.00 61.98 62.46 1qh5 s VAL 28 Cb -0.15 -3.68 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 1qh5 s VAL 28 CO -0.01 0.29 0.70 0.47 0.00 0.00 0.00 175.10 176.55 1qh5 n ASP 29 N 4.27 -6.12 -3.48 3.32 8.00 -0.97 -2.31 116.55 119.27 1qh5 n ASP 29 Ca -0.10 -0.65 -0.40 0.00 0.71 0.00 0.00 54.79 54.35 1qh5 n ASP 29 Cb 0.51 -3.58 -0.02 0.00 -0.02 0.00 0.00 41.12 38.01 1qh5 n ASP 29 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1qh5 n PRO 30 N -2.78 3.58 0.18 -0.24 -0.04 -1.23 -4.63 135.00 129.84 1qh5 n PRO 30 Ca -0.13 -2.55 0.03 0.00 -0.04 0.00 0.00 63.50 60.80 1qh5 n PRO 30 Cb 0.59 -2.92 0.39 0.00 -0.04 0.00 0.00 33.50 31.52 1qh5 n PRO 30 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1qh5 h VAL 31 N 3.27 1.23 -3.49 0.52 3.04 -1.83 -3.29 116.25 115.70 1qh5 h VAL 31 Ca 0.74 -1.09 -0.67 0.00 -1.01 0.00 0.00 66.70 64.67 1qh5 h VAL 31 Cb 0.40 1.55 -0.38 0.00 -2.01 0.00 0.00 31.29 30.86 1qh5 h VAL 31 CO 1.77 0.31 -0.48 -1.10 -1.01 0.00 0.00 177.57 177.07 1qh5 s GLN 32 N -4.35 2.31 0.48 4.17 -0.21 -1.26 -4.02 119.66 116.78 1qh5 s GLN 32 Ca -0.03 -2.55 0.15 0.00 0.02 0.00 0.00 55.36 52.95 1qh5 s GLN 32 Cb 0.15 -3.56 1.13 0.00 1.00 0.00 0.00 33.01 31.72 1qh5 s GLN 32 CO 0.72 -1.14 2.08 -1.00 -2.12 0.00 0.00 175.29 173.83 1qh5 h PRO 33 N 6.85 0.04 -0.14 2.91 0.13 -1.86 -2.73 132.00 137.20 1qh5 h PRO 33 Ca -0.04 -0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.97 1qh5 h PRO 33 Cb 0.93 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1qh5 h PRO 33 CO 0.70 0.10 -0.40 1.96 -0.23 0.00 0.00 178.00 180.13 1qh5 h GLN 34 N 0.04 0.32 -0.56 0.86 1.08 -1.94 -2.21 115.11 112.70 1qh5 h GLN 34 Ca 0.01 -0.15 -0.06 0.00 -1.45 0.00 0.00 58.65 57.00 1qh5 h GLN 34 Cb 0.13 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 1qh5 h GLN 34 CO 0.01 0.68 0.12 0.87 -0.95 0.00 0.00 178.83 179.56 1qh5 h LYS 35 N 0.27 0.86 -0.38 1.46 1.57 -1.93 -1.46 116.57 116.97 1qh5 h LYS 35 Ca 0.02 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 1qh5 h LYS 35 Cb 0.83 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1qh5 h LYS 35 CO 0.07 0.78 0.05 0.28 -0.57 0.00 0.00 179.45 180.06 1qh5 h VAL 36 N 0.83 1.24 -0.44 0.50 2.07 -1.41 -2.05 116.25 116.98 1qh5 h VAL 36 Ca 0.18 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1qh5 h VAL 36 Cb 0.32 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1qh5 h VAL 36 CO 0.00 0.30 0.07 0.58 0.02 0.00 0.00 177.57 178.54 1qh5 h VAL 37 N 0.48 1.25 -0.58 2.57 2.07 -1.07 -2.03 116.25 118.93 1qh5 h VAL 37 Ca 0.11 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 1qh5 h VAL 37 Cb 0.38 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1qh5 h VAL 37 CO 0.01 0.31 0.22 0.44 0.02 0.00 0.00 177.57 178.57 1qh5 h ASP 38 N 0.59 0.82 -0.38 0.57 3.32 -1.26 -0.86 116.42 119.23 1qh5 h ASP 38 Ca 0.13 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1qh5 h ASP 38 Cb 0.38 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1qh5 h ASP 38 CO 0.01 0.78 0.23 0.00 -1.72 0.00 0.00 179.24 178.54 1qh5 h ALA 39 N 1.07 0.48 -0.72 3.45 0.00 -1.32 0.15 119.26 122.38 1qh5 h ALA 39 Ca 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1qh5 h ALA 39 Cb 0.23 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1qh5 h ALA 39 CO -0.01 -0.03 0.33 0.00 0.00 0.00 0.00 179.25 179.53 1qh5 h ALA 40 N 1.10 0.93 -0.57 0.00 0.00 -1.06 -0.81 119.26 118.85 1qh5 h ALA 40 Ca 0.14 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1qh5 h ALA 40 Cb -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1qh5 h ALA 40 CO -0.03 0.51 -0.01 0.00 0.00 0.00 0.00 179.25 179.73 1qh5 h ARG 41 N 1.01 0.98 -0.43 0.00 3.08 -0.82 -1.32 114.38 116.88 1qh5 h ARG 41 Ca 0.24 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1qh5 h ARG 41 Cb 0.15 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1qh5 h ARG 41 CO -0.03 0.97 0.12 -0.22 -1.07 0.00 0.00 179.97 179.74 1qh5 h LYS 42 N 0.90 0.64 -0.04 0.04 3.64 -0.35 -2.30 116.57 119.10 1qh5 h LYS 42 Ca 0.16 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1qh5 h LYS 42 Cb 0.53 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1qh5 h LYS 42 CO 0.03 0.58 0.00 0.72 -2.27 0.00 0.00 179.45 178.50 1qh5 n HIS 43 N -4.32 0.03 -3.13 1.91 8.25 -0.34 -4.99 115.22 112.62 1qh5 n HIS 43 Ca 0.03 -0.01 -0.20 0.00 -0.26 0.00 0.00 57.72 57.28 1qh5 n HIS 43 Cb 0.19 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.35 1qh5 n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qh5 n GLY 44 N 1.26 -0.34 3.51 -1.41 0.00 -0.56 -5.03 105.19 102.62 1qh5 n GLY 44 Ca 0.17 0.05 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 1qh5 n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qh5 s VAL 45 N -3.17 2.54 -0.32 1.61 -7.23 -0.85 -4.98 120.40 108.00 1qh5 s VAL 45 Ca 0.36 -2.31 -0.13 0.00 -1.81 0.00 0.00 61.98 58.10 1qh5 s VAL 45 Cb -0.16 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1qh5 s VAL 45 CO 0.45 -0.36 0.26 -0.75 -0.31 0.00 0.00 175.10 174.39 1qh5 s LYS 46 N -3.55 3.68 -0.01 4.82 2.47 -0.31 -4.57 119.74 122.26 1qh5 s LYS 46 Ca 0.31 -0.46 -0.30 0.00 -1.56 0.00 0.00 55.97 53.95 1qh5 s LYS 46 Cb -0.04 -3.75 -0.05 0.00 -1.46 0.00 0.00 37.83 32.53 1qh5 s LYS 46 CO 0.16 -0.37 1.38 -1.17 0.16 0.00 0.00 175.35 175.51 1qh5 s LEU 47 N 1.81 4.31 -0.01 5.43 2.96 -1.26 -1.19 118.68 130.73 1qh5 s LEU 47 Ca 0.08 2.07 0.02 0.00 -0.22 0.00 0.00 54.13 56.08 1qh5 s LEU 47 Cb -0.17 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 1qh5 s LEU 47 CO 0.11 -0.70 0.03 0.35 -1.32 0.00 0.00 176.35 174.82 1qh5 n THR 48 N 4.67 0.03 -3.81 3.68 -2.24 -0.38 -4.89 114.28 111.33 1qh5 n THR 48 Ca 0.13 -0.05 -0.12 0.00 -2.27 0.00 0.00 64.05 61.74 1qh5 n THR 48 Cb 0.44 0.13 -0.11 0.00 -2.10 0.00 0.00 70.33 68.68 1qh5 n THR 48 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qh5 s THR 49 N -2.11 0.02 -0.11 4.28 2.01 -1.21 -2.00 115.64 116.52 1qh5 s THR 49 Ca -0.01 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 61.84 1qh5 s THR 49 Cb 0.01 -0.36 -0.01 0.00 0.01 0.00 0.00 72.50 72.16 1qh5 s THR 49 CO 0.07 -0.09 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.03 1qh5 s VAL 50 N -0.29 2.47 -0.25 3.82 1.01 0.23 -1.35 120.40 126.05 1qh5 s VAL 50 Ca -0.04 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 1qh5 s VAL 50 Cb -0.03 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 1qh5 s VAL 50 CO 0.01 0.54 0.01 -0.76 0.00 0.00 0.00 175.10 174.90 1qh5 s LEU 51 N 0.37 3.26 -0.25 3.92 1.43 -0.28 -0.46 118.68 126.67 1qh5 s LEU 51 Ca -0.15 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 52.41 1qh5 s LEU 51 Cb -0.17 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.23 1qh5 s LEU 51 CO 0.07 -0.07 0.04 -0.89 0.23 0.00 0.00 176.35 175.73 1qh5 s THR 52 N 1.50 3.94 0.17 5.49 2.01 -0.56 -2.28 115.64 125.91 1qh5 s THR 52 Ca 0.05 -0.40 -0.07 0.00 0.31 0.00 0.00 61.69 61.57 1qh5 s THR 52 Cb -0.15 -2.88 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1qh5 s THR 52 CO -0.01 0.30 1.52 0.71 -0.69 0.00 0.00 174.62 176.45 1qh5 h THR 53 N 5.68 1.28 -2.62 -0.82 1.35 -1.89 -3.41 112.91 112.49 1qh5 h THR 53 Ca -0.38 -1.57 0.12 0.00 -0.55 0.00 0.00 66.41 64.04 1qh5 h THR 53 Cb 1.16 1.45 -0.05 0.00 -1.73 0.00 0.00 68.15 68.97 1qh5 h THR 53 CO 0.59 0.51 0.42 -1.38 -0.25 0.00 0.00 175.52 175.41 1qh5 s HIS 54 N -4.33 -0.07 -0.80 4.73 -3.43 -1.26 -0.80 115.29 109.32 1qh5 s HIS 54 Ca -0.10 -0.34 0.27 0.00 -0.80 0.00 0.00 55.06 54.09 1qh5 s HIS 54 Cb 0.12 0.70 0.93 0.00 -1.43 0.00 0.00 32.58 32.89 1qh5 s HIS 54 CO 0.86 -1.05 1.82 -2.39 -2.00 0.00 0.00 174.74 171.98 1qh5 n HIS 55 N -0.52 0.68 -1.60 0.38 1.44 -1.26 -4.00 115.22 110.34 1qh5 n HIS 55 Ca -0.05 0.20 -0.40 0.00 -2.01 0.00 0.00 57.72 55.45 1qh5 n HIS 55 Cb 0.60 -0.82 0.02 0.00 0.12 0.00 0.00 29.99 29.91 1qh5 n HIS 55 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1qh5 n HIS 56 N -2.05 0.95 0.07 -1.40 8.25 -1.26 -4.53 115.22 115.24 1qh5 n HIS 56 Ca 0.06 0.52 0.08 0.00 -0.26 0.00 0.00 57.72 58.12 1qh5 n HIS 56 Cb 0.40 -2.19 0.53 0.00 1.12 0.00 0.00 29.99 29.85 1qh5 n HIS 56 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 1qh5 h TRP 57 N 1.22 0.30 0.00 4.41 5.08 -1.94 -0.25 115.95 124.77 1qh5 h TRP 57 Ca -0.45 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.52 1qh5 h TRP 57 Cb 1.35 -0.10 0.00 0.00 -3.00 0.00 0.00 29.16 27.41 1qh5 h TRP 57 CO 0.41 0.17 0.00 -0.40 -1.28 0.00 0.00 178.44 177.34 1qh5 n ASP 58 N -4.49 0.11 -0.08 0.11 5.75 -1.26 -0.87 116.55 115.82 1qh5 n ASP 58 Ca 0.03 0.52 -0.16 0.00 -0.01 0.00 0.00 54.79 55.17 1qh5 n ASP 58 Cb 0.18 -0.55 -0.06 0.00 -1.03 0.00 0.00 41.12 39.66 1qh5 n ASP 58 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1qh5 n HIS 59 N -1.61 0.00 0.40 2.11 8.25 -0.23 -4.66 115.22 119.48 1qh5 n HIS 59 Ca 0.04 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.58 1qh5 n HIS 59 Cb 0.21 -0.58 0.11 0.00 1.12 0.00 0.00 29.99 30.86 1qh5 n HIS 59 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qh5 n ALA 60 N -3.63 2.41 0.35 -1.41 0.00 -0.47 -3.47 120.51 114.29 1qh5 n ALA 60 Ca -0.31 -0.80 0.13 0.00 0.00 0.00 0.00 53.44 52.46 1qh5 n ALA 60 Cb 0.73 -0.57 0.56 0.00 0.00 0.00 0.00 19.45 20.17 1qh5 n ALA 60 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1qh5 h GLY 61 N 3.09 0.00 -1.20 0.00 0.00 -1.18 -2.39 103.07 101.40 1qh5 h GLY 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qh5 h GLY 61 CO 0.00 0.00 -0.35 0.61 0.00 0.00 0.00 176.54 176.80 1qh5 n GLY 62 N -0.16 0.26 0.22 4.60 0.00 -1.26 -4.66 105.19 104.19 1qh5 n GLY 62 Ca 0.01 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.23 1qh5 n GLY 62 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1qh5 h ASN 63 N 2.98 -0.42 -0.52 1.61 4.21 -1.63 -0.19 115.58 121.61 1qh5 h ASN 63 Ca 0.00 -0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 1qh5 h ASN 63 Cb 0.81 0.11 -0.03 0.00 -1.12 0.00 0.00 38.32 38.09 1qh5 h ASN 63 CO 0.00 -0.28 0.22 -0.33 -1.29 0.00 0.00 177.43 175.75 1qh5 h GLU 64 N -0.53 0.80 -0.44 0.81 5.08 -1.81 -2.15 114.58 116.34 1qh5 h GLU 64 Ca -0.05 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.06 1qh5 h GLU 64 Cb 0.40 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1qh5 h GLU 64 CO 0.08 0.66 -0.25 -0.22 -1.00 0.00 0.00 179.01 178.28 1qh5 h LYS 65 N 0.80 0.94 -0.68 2.33 3.64 -1.82 -3.18 116.57 118.60 1qh5 h LYS 65 Ca 0.19 -0.43 -0.03 0.00 -1.27 0.00 0.00 60.65 59.11 1qh5 h LYS 65 Cb 0.16 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1qh5 h LYS 65 CO -0.02 1.09 0.30 1.25 -2.27 0.00 0.00 179.45 179.80 1qh5 h LEU 66 N 0.78 0.92 -0.80 5.20 5.85 -0.54 -1.35 115.31 125.36 1qh5 h LEU 66 Ca 0.09 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1qh5 h LEU 66 Cb 0.83 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1qh5 h LEU 66 CO 0.07 0.81 0.00 1.33 -0.34 0.00 0.00 178.44 180.32 1qh5 n VAL 67 N -4.42 0.86 0.73 1.05 0.24 -0.85 -1.51 118.33 114.43 1qh5 n VAL 67 Ca 0.05 0.30 0.12 0.00 -2.04 0.00 0.00 64.34 62.77 1qh5 n VAL 67 Cb 0.15 -1.24 0.13 0.00 -1.47 0.00 0.00 33.84 31.41 1qh5 n VAL 67 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1qh5 n LYS 68 N -2.23 0.18 -0.04 7.34 5.02 -0.54 -4.13 118.16 123.76 1qh5 n LYS 68 Ca 0.02 0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.20 1qh5 n LYS 68 Cb 0.20 -1.58 -0.14 0.00 -0.02 0.00 0.00 35.03 33.49 1qh5 n LYS 68 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1qh5 n LEU 69 N -1.82 1.34 -3.81 -0.35 4.77 -0.69 -4.91 117.00 111.52 1qh5 n LEU 69 Ca 0.04 0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 56.03 1qh5 n LEU 69 Cb 0.40 -0.18 -0.17 0.00 -2.33 0.00 0.00 43.42 41.13 1qh5 n LEU 69 CO 0.38 0.57 -0.40 -1.61 -1.33 0.00 0.00 177.39 174.99 1qh5 s GLU 70 N -2.56 0.83 0.45 3.23 0.41 -0.57 -5.12 118.70 115.36 1qh5 s GLU 70 Ca -0.12 0.01 -0.05 0.00 -0.41 0.00 0.00 54.97 54.39 1qh5 s GLU 70 Cb 0.07 -1.09 -0.04 0.00 -1.78 0.00 0.00 34.13 31.30 1qh5 s GLU 70 CO 0.79 -0.27 0.74 -1.54 -0.49 0.00 0.00 175.26 174.50 1qh5 s SER 71 N 1.79 6.30 -0.24 -0.19 1.04 -1.26 -4.37 113.70 116.77 1qh5 s SER 71 Ca 0.03 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.33 1qh5 s SER 71 Cb -0.13 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.77 1qh5 s SER 71 CO -0.05 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.28 1qh5 n GLY 72 N -2.03 0.57 3.80 7.32 0.00 -1.26 -5.03 105.19 108.55 1qh5 n GLY 72 Ca -0.00 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1qh5 n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qh5 s LEU 73 N -0.52 4.01 -0.29 0.99 1.43 -1.26 -4.98 118.68 118.06 1qh5 s LEU 73 Ca 0.00 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 54.88 1qh5 s LEU 73 Cb 0.00 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 1qh5 s LEU 73 CO 0.00 -0.50 0.19 -0.54 0.23 0.00 0.00 176.35 175.72 1qh5 s LYS 74 N -2.87 3.80 -0.27 1.70 1.02 -0.85 -4.94 119.74 117.33 1qh5 s LYS 74 Ca 0.61 -0.42 -0.04 0.00 0.02 0.00 0.00 55.97 56.15 1qh5 s LYS 74 Cb -0.16 -3.66 0.02 0.00 -0.52 0.00 0.00 37.83 33.51 1qh5 s LYS 74 CO 0.21 -0.25 0.01 0.08 -0.92 0.00 0.00 175.35 174.48 1qh5 s VAL 75 N 1.73 3.34 0.01 3.17 1.01 -1.26 -0.60 120.40 127.80 1qh5 s VAL 75 Ca 0.07 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 1qh5 s VAL 75 Cb -0.16 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1qh5 s VAL 75 CO 0.10 0.11 0.21 -0.31 0.00 0.00 0.00 175.10 175.21 1qh5 s TYR 76 N 1.39 3.55 -0.08 5.22 1.51 0.39 -1.36 117.35 127.97 1qh5 s TYR 76 Ca 0.01 0.38 -0.32 0.00 -1.01 0.00 0.00 57.07 56.13 1qh5 s TYR 76 Cb -0.17 -1.85 0.12 0.00 -0.11 0.00 0.00 41.96 39.95 1qh5 s TYR 76 CO -0.01 0.62 1.22 0.20 -1.11 0.00 0.00 175.55 176.47 1qh5 s GLY 77 N -2.00 -0.36 -0.12 0.71 0.00 -1.10 -1.50 107.32 102.95 1qh5 s GLY 77 Ca 0.29 1.05 0.15 0.00 0.00 0.00 0.00 44.72 46.20 1qh5 s GLY 77 CO 0.20 0.29 1.36 0.61 0.00 0.00 0.00 173.10 175.56 1qh5 n GLY 78 N -0.32 3.69 2.95 0.20 0.00 -1.26 -1.40 105.19 109.05 1qh5 n GLY 78 Ca -0.05 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 1qh5 n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qh5 s ASP 79 N -1.68 -0.07 0.40 1.61 -1.08 -1.26 -4.63 116.67 109.96 1qh5 s ASP 79 Ca 0.36 0.37 0.28 0.00 -0.52 0.00 0.00 52.55 53.03 1qh5 s ASP 79 Cb 0.27 0.26 1.36 0.00 -1.46 0.00 0.00 42.92 43.36 1qh5 s ASP 79 CO 0.10 -0.16 1.85 0.44 0.52 0.00 0.00 175.17 177.92 1qh5 h ASP 80 N 7.35 0.00 0.58 -0.34 3.32 -1.97 -1.88 116.42 123.47 1qh5 h ASP 80 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1qh5 h ASP 80 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1qh5 h ASP 80 CO 0.38 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.44 1qh5 n ARG 81 N -2.51 0.17 -2.69 3.56 1.74 -1.26 -4.75 116.66 110.92 1qh5 n ARG 81 Ca -0.00 0.10 -0.42 0.00 -0.77 0.00 0.00 57.85 56.76 1qh5 n ARG 81 Cb 0.14 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 1qh5 n ARG 81 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1qh5 s ILE 82 N -2.78 4.74 0.55 0.55 1.01 -0.71 -4.90 121.20 119.67 1qh5 s ILE 82 Ca 0.16 2.01 -0.19 0.00 0.00 0.00 0.00 60.65 62.62 1qh5 s ILE 82 Cb 0.15 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 1qh5 s ILE 82 CO 0.37 0.18 1.15 -0.83 0.00 0.00 0.00 174.94 175.81 1qh5 s GLY 83 N 0.86 2.67 -1.62 6.18 0.00 -1.26 -3.98 107.32 110.18 1qh5 s GLY 83 Ca 0.52 0.89 0.00 0.00 0.00 0.00 0.00 44.72 46.12 1qh5 s GLY 83 CO 0.28 1.26 0.00 0.00 0.00 0.00 0.00 173.10 174.64 1qh5 n ALA 84 N -1.33 -0.50 -1.68 3.20 0.00 -1.26 -4.61 120.51 114.32 1qh5 n ALA 84 Ca 0.12 0.20 -0.41 0.00 0.00 0.00 0.00 53.44 53.35 1qh5 n ALA 84 Cb 0.50 -1.82 0.01 0.00 0.00 0.00 0.00 19.45 18.15 1qh5 n ALA 84 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1qh5 n LEU 85 N -2.57 3.75 -0.03 0.00 4.77 -1.26 -4.67 117.00 117.00 1qh5 n LEU 85 Ca -0.19 1.09 -0.03 0.00 -0.03 0.00 0.00 56.01 56.85 1qh5 n LEU 85 Cb 0.61 -1.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.20 1qh5 n LEU 85 CO 0.25 -0.84 -0.68 0.35 -1.33 0.00 0.00 177.39 175.14 1qh5 n THR 86 N -0.30 0.36 -3.80 -5.08 -2.24 -0.46 -4.95 114.28 97.81 1qh5 n THR 86 Ca 0.07 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.36 1qh5 n THR 86 Cb 0.40 -0.84 -0.16 0.00 -2.10 0.00 0.00 70.33 67.62 1qh5 n THR 86 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1qh5 s HIS 87 N -2.13 1.49 -0.26 4.78 3.76 -0.56 -4.94 115.29 117.44 1qh5 s HIS 87 Ca -0.04 -1.18 -0.25 0.00 -0.15 0.00 0.00 55.06 53.44 1qh5 s HIS 87 Cb 0.02 -1.23 -0.00 0.00 1.11 0.00 0.00 32.58 32.47 1qh5 s HIS 87 CO 0.20 -0.67 0.86 0.21 -0.85 0.00 0.00 174.74 174.49 1qh5 s LYS 88 N 1.70 4.15 0.44 1.40 2.47 -1.26 -2.71 119.74 125.93 1qh5 s LYS 88 Ca -0.02 0.94 0.06 0.00 -1.56 0.00 0.00 55.97 55.39 1qh5 s LYS 88 Cb -0.18 -3.66 -0.05 0.00 -1.46 0.00 0.00 37.83 32.48 1qh5 s LYS 88 CO -0.08 -0.58 0.05 0.96 0.16 0.00 0.00 175.35 175.86 1qh5 s ILE 89 N 2.95 1.85 0.09 5.43 -5.25 -0.50 -4.98 121.20 120.80 1qh5 s ILE 89 Ca 0.36 -1.92 -0.01 0.00 -0.99 0.00 0.00 60.65 58.09 1qh5 s ILE 89 Cb -0.15 -2.77 0.00 0.00 2.95 0.00 0.00 42.46 42.49 1qh5 s ILE 89 CO 0.08 0.00 0.13 1.07 -1.79 0.00 0.00 174.94 174.44 1qh5 n THR 90 N -1.12 0.00 -1.69 8.37 5.66 -1.26 -4.29 114.28 119.95 1qh5 n THR 90 Ca -0.07 -0.48 -0.43 0.00 -3.05 0.00 0.00 64.05 60.01 1qh5 n THR 90 Cb 0.66 0.29 -0.03 0.00 -1.55 0.00 0.00 70.33 69.71 1qh5 n THR 90 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 1qh5 n HIS 91 N -0.16 2.57 -1.00 1.09 -0.00 -1.26 -2.02 115.22 114.45 1qh5 n HIS 91 Ca 0.00 -0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.16 1qh5 n HIS 91 Cb 0.16 -2.68 0.00 0.00 -0.12 0.00 0.00 29.99 27.35 1qh5 n HIS 91 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1qh5 n LEU 92 N 4.94 0.25 -4.76 0.27 4.77 -0.13 -4.96 117.00 117.38 1qh5 n LEU 92 Ca 0.18 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.76 1qh5 n LEU 92 Cb 0.35 -1.00 0.03 0.00 -2.33 0.00 0.00 43.42 40.46 1qh5 n LEU 92 CO 0.66 -0.25 1.03 -0.44 -1.33 0.00 0.00 177.39 177.06 1qh5 s SER 93 N -2.00 5.63 0.12 -1.43 0.01 -0.86 -4.68 113.70 110.49 1qh5 s SER 93 Ca 0.00 2.85 0.09 0.00 1.31 0.00 0.00 55.95 60.20 1qh5 s SER 93 Cb 0.00 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 1qh5 s SER 93 CO 0.00 -1.33 -0.21 0.42 0.41 0.00 0.00 173.24 172.53 1qh5 s THR 94 N -1.25 1.79 0.27 1.44 -4.23 -1.26 -0.81 115.64 111.59 1qh5 s THR 94 Ca 0.65 -1.65 -0.17 0.00 -1.18 0.00 0.00 61.69 59.34 1qh5 s THR 94 Cb -0.42 -1.66 0.01 0.00 1.34 0.00 0.00 72.50 71.76 1qh5 s THR 94 CO 0.53 -0.11 0.61 -1.48 -0.54 0.00 0.00 174.62 173.63 1qh5 s LEU 95 N -2.10 0.03 0.07 4.79 0.05 -0.67 -5.02 118.68 115.83 1qh5 s LEU 95 Ca 0.09 -0.79 0.08 0.00 0.05 0.00 0.00 54.13 53.57 1qh5 s LEU 95 Cb -0.09 2.27 -0.03 0.00 -2.05 0.00 0.00 46.19 46.29 1qh5 s LEU 95 CO 0.05 -1.26 -0.23 -1.10 -0.55 0.00 0.00 176.35 173.26 1qh5 s GLN 96 N -3.90 1.38 -0.41 1.48 -0.21 -1.26 -0.82 119.66 115.92 1qh5 s GLN 96 Ca 0.17 -1.09 0.03 0.00 0.02 0.00 0.00 55.36 54.49 1qh5 s GLN 96 Cb -0.03 -1.61 0.11 0.00 1.00 0.00 0.00 33.01 32.48 1qh5 s GLN 96 CO 0.08 0.40 0.14 0.08 -2.12 0.00 0.00 175.29 173.87 1qh5 s VAL 97 N -0.94 2.14 0.00 1.09 1.01 -0.62 -4.98 120.40 118.10 1qh5 s VAL 97 Ca 0.09 -2.60 0.00 0.00 0.00 0.00 0.00 61.98 59.47 1qh5 s VAL 97 Cb -0.10 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1qh5 s VAL 97 CO 0.03 -0.71 0.00 0.61 0.00 0.00 0.00 175.10 175.04 1qh5 n GLY 98 N 3.86 2.78 0.47 4.51 0.00 -1.26 -1.07 105.19 114.48 1qh5 n GLY 98 Ca 0.04 -0.24 0.14 0.00 0.00 0.00 0.00 46.02 45.96 1qh5 n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qh5 n SER 99 N 6.45 1.53 -4.82 1.61 3.41 -1.26 -4.91 113.62 115.62 1qh5 n SER 99 Ca 0.00 -1.42 -0.34 0.00 -0.26 0.00 0.00 58.87 56.84 1qh5 n SER 99 Cb 0.00 0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 63.92 1qh5 n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1qh5 s LEU 100 N -2.10 4.14 -0.17 1.04 1.43 -0.24 -4.57 118.68 118.22 1qh5 s LEU 100 Ca 0.35 1.48 -0.09 0.00 -1.03 0.00 0.00 54.13 54.84 1qh5 s LEU 100 Cb 0.21 -4.05 -0.05 0.00 0.03 0.00 0.00 46.19 42.33 1qh5 s LEU 100 CO 0.37 -0.16 0.13 0.20 0.23 0.00 0.00 176.35 177.12 1qh5 s ASN 101 N -2.01 6.27 -0.09 2.29 0.02 -0.34 -1.58 114.94 119.51 1qh5 s ASN 101 Ca 0.53 0.31 0.03 0.00 -1.02 0.00 0.00 52.86 52.71 1qh5 s ASN 101 Cb -0.13 -2.08 0.01 0.00 0.02 0.00 0.00 41.25 39.07 1qh5 s ASN 101 CO 0.18 0.26 -0.17 -0.69 0.02 0.00 0.00 177.10 176.70 1qh5 s VAL 102 N -0.12 1.55 -0.14 1.60 1.01 0.00 -1.32 120.40 122.98 1qh5 s VAL 102 Ca 0.10 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1qh5 s VAL 102 Cb -0.11 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1qh5 s VAL 102 CO 0.00 0.45 -0.19 -0.75 0.00 0.00 0.00 175.10 174.61 1qh5 s LYS 103 N 0.64 3.12 0.04 2.72 2.20 0.37 -1.67 119.74 127.15 1qh5 s LYS 103 Ca -0.14 -0.81 -0.24 0.00 -0.36 0.00 0.00 55.97 54.42 1qh5 s LYS 103 Cb -0.16 -2.49 -0.06 0.00 -1.51 0.00 0.00 37.83 33.61 1qh5 s LYS 103 CO 0.04 0.04 0.71 0.00 -0.36 0.00 0.00 175.35 175.79 1qh5 s LEU 105 N -0.16 2.45 -0.07 0.00 1.43 0.25 -0.95 118.68 121.63 1qh5 s LEU 105 Ca 0.36 -0.90 -0.30 0.00 -1.03 0.00 0.00 54.13 52.27 1qh5 s LEU 105 Cb -0.20 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1qh5 s LEU 105 CO 0.21 -0.10 1.17 0.00 0.23 0.00 0.00 176.35 177.86 1qh5 s ALA 106 N 1.30 3.48 -0.49 4.21 0.00 -1.26 -0.98 121.76 128.02 1qh5 s ALA 106 Ca -0.00 0.58 0.08 0.00 0.00 0.00 0.00 51.96 52.61 1qh5 s ALA 106 Cb -0.16 -3.50 0.32 0.00 0.00 0.00 0.00 23.12 19.77 1qh5 s ALA 106 CO -0.09 -0.74 0.78 0.25 0.00 0.00 0.00 175.76 175.96 1qh5 n THR 107 N 4.61 1.35 -1.91 0.00 -2.24 -0.70 -4.95 114.28 110.44 1qh5 n THR 107 Ca 0.11 -4.97 -0.41 0.00 -2.27 0.00 0.00 64.05 56.50 1qh5 n THR 107 Cb 0.47 -1.22 -0.02 0.00 -2.10 0.00 0.00 70.33 67.45 1qh5 n THR 107 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1qh5 s PRO 108 N -2.64 4.21 0.00 -0.78 0.04 -1.26 -4.59 135.00 129.98 1qh5 s PRO 108 Ca 0.43 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.88 1qh5 s PRO 108 Cb 0.27 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1qh5 s PRO 108 CO -0.09 -0.52 0.00 0.00 0.04 0.00 0.00 177.00 176.42 1qh5 h HIS 110 N 0.00 0.46 -3.66 0.00 -0.00 -1.81 -1.59 115.15 108.56 1qh5 h HIS 110 Ca 0.00 0.02 -0.28 0.00 -0.00 0.00 0.00 60.37 60.11 1qh5 h HIS 110 Cb 0.00 -0.13 -0.16 0.00 -0.00 0.00 0.00 27.41 27.12 1qh5 h HIS 110 CO 0.00 0.22 -0.71 0.95 -0.00 0.00 0.00 177.93 178.39 1qh5 s THR 111 N -6.13 0.90 0.20 6.26 -4.23 -1.26 -3.04 115.64 108.34 1qh5 s THR 111 Ca -0.13 -1.89 0.22 0.00 -1.18 0.00 0.00 61.69 58.71 1qh5 s THR 111 Cb 0.14 -1.64 0.20 0.00 1.34 0.00 0.00 72.50 72.54 1qh5 s THR 111 CO 0.74 -0.75 1.83 0.77 -0.54 0.00 0.00 174.62 176.66 1qh5 h SER 112 N 3.07 0.00 -0.44 3.99 4.64 -1.80 -3.17 113.55 119.84 1qh5 h SER 112 Ca -0.36 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.92 1qh5 h SER 112 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 1qh5 h SER 112 CO 0.61 0.27 0.03 0.61 -0.87 0.00 0.00 176.83 177.49 1qh5 n GLY 113 N 0.03 3.70 3.75 -0.77 0.00 -1.26 -4.54 105.19 106.10 1qh5 n GLY 113 Ca -0.00 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1qh5 n GLY 113 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qh5 s HIS 114 N -2.86 3.11 -0.04 1.61 5.65 -1.20 -4.13 115.29 117.43 1qh5 s HIS 114 Ca 0.48 1.15 0.03 0.00 0.25 0.00 0.00 55.06 56.97 1qh5 s HIS 114 Cb 0.39 -3.72 0.00 0.00 -1.18 0.00 0.00 32.58 28.06 1qh5 s HIS 114 CO 0.11 -2.28 -0.13 0.42 -0.65 0.00 0.00 174.74 172.21 1qh5 s ILE 115 N -0.12 1.13 -0.08 0.89 -1.09 0.02 -1.72 121.20 120.22 1qh5 s ILE 115 Ca 0.57 -0.54 -0.04 0.00 -2.23 0.00 0.00 60.65 58.41 1qh5 s ILE 115 Cb -0.40 -0.99 -0.04 0.00 -1.58 0.00 0.00 42.46 39.46 1qh5 s ILE 115 CO 0.43 0.34 0.09 0.00 -1.23 0.00 0.00 174.94 174.56 1qh5 s TYR 117 N -1.03 2.96 -0.30 0.00 2.02 -0.72 -0.59 117.35 119.69 1qh5 s TYR 117 Ca 0.17 -0.86 -0.11 0.00 -0.37 0.00 0.00 57.07 55.90 1qh5 s TYR 117 Cb -0.12 -2.10 -0.02 0.00 -0.40 0.00 0.00 41.96 39.32 1qh5 s TYR 117 CO 0.06 -0.50 0.18 0.12 -1.57 0.00 0.00 175.55 173.84 1qh5 s PHE 118 N 1.40 3.19 -0.12 2.71 5.36 0.05 -0.96 117.98 129.61 1qh5 s PHE 118 Ca 0.05 -0.28 0.00 0.00 -0.96 0.00 0.00 56.93 55.75 1qh5 s PHE 118 Cb -0.14 -2.38 -0.02 0.00 -0.34 0.00 0.00 43.02 40.14 1qh5 s PHE 118 CO -0.02 -0.34 -0.13 0.08 -1.46 0.00 0.00 175.22 173.34 1qh5 s VAL 119 N 1.68 3.05 0.02 3.12 1.01 0.37 -0.48 120.40 129.17 1qh5 s VAL 119 Ca 0.06 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 1qh5 s VAL 119 Cb -0.17 -2.27 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 1qh5 s VAL 119 CO 0.08 0.53 0.14 -0.94 0.00 0.00 0.00 175.10 174.92 1qh5 s SER 120 N 0.20 0.06 -0.20 3.32 1.04 -0.44 -1.19 113.70 116.49 1qh5 s SER 120 Ca -0.08 -0.30 -0.08 0.00 0.48 0.00 0.00 55.95 55.97 1qh5 s SER 120 Cb -0.15 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 1qh5 s SER 120 CO 0.05 -0.43 0.07 -0.75 0.98 0.00 0.00 173.24 173.16 1qh5 s LYS 121 N -1.84 3.94 0.10 4.02 2.20 -1.26 -1.20 119.74 125.70 1qh5 s LYS 121 Ca -0.11 -0.35 -0.36 0.00 -0.36 0.00 0.00 55.97 54.78 1qh5 s LYS 121 Cb -0.05 -3.27 -0.16 0.00 -1.51 0.00 0.00 37.83 32.84 1qh5 s LYS 121 CO -0.01 0.18 1.37 -2.30 -0.36 0.00 0.00 175.35 174.24 1qh5 n PRO 122 N 3.82 1.29 0.00 4.03 -0.01 -1.26 -3.69 135.00 139.18 1qh5 n PRO 122 Ca -0.16 0.46 0.00 0.00 -0.01 0.00 0.00 63.50 63.79 1qh5 n PRO 122 Cb 0.52 -2.13 0.00 0.00 -0.01 0.00 0.00 33.50 31.89 1qh5 n PRO 122 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1qh5 n GLY 123 N 2.65 2.25 0.00 -1.23 0.00 -1.26 -4.79 105.19 102.81 1qh5 n GLY 123 Ca 0.18 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1qh5 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qh5 n GLY 124 N 0.00 1.46 0.20 -0.02 0.00 -1.24 -5.04 105.19 100.55 1qh5 n GLY 124 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1qh5 n GLY 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qh5 n SER 125 N 0.00 0.96 -3.83 1.61 3.41 -1.26 -4.89 113.62 109.62 1qh5 n SER 125 Ca 0.00 -0.79 -0.12 0.00 -0.26 0.00 0.00 58.87 57.70 1qh5 n SER 125 Cb 0.00 0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 64.04 1qh5 n SER 125 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1qh5 s GLU 126 N -2.60 0.57 0.48 4.33 2.02 -1.26 -5.15 118.70 117.09 1qh5 s GLU 126 Ca 0.21 -0.36 -0.23 0.00 0.02 0.00 0.00 54.97 54.61 1qh5 s GLU 126 Cb 0.19 0.24 -0.07 0.00 0.10 0.00 0.00 34.13 34.59 1qh5 s GLU 126 CO 0.56 -0.15 1.21 -2.14 0.02 0.00 0.00 175.26 174.76 1qh5 s PRO 127 N -1.51 3.61 0.90 0.39 0.02 -1.26 -4.85 135.00 132.30 1qh5 s PRO 127 Ca -0.13 1.87 -0.14 0.00 0.02 0.00 0.00 61.00 62.61 1qh5 s PRO 127 Cb -0.06 -2.36 0.15 0.00 0.02 0.00 0.00 34.50 32.25 1qh5 s PRO 127 CO 0.02 -0.70 1.23 -1.25 -0.33 0.00 0.00 177.00 175.97 1qh5 s PRO 128 N -2.76 1.16 0.06 5.54 0.04 -1.26 -4.88 135.00 132.90 1qh5 s PRO 128 Ca 0.66 -0.10 0.04 0.00 0.04 0.00 0.00 61.00 61.64 1qh5 s PRO 128 Cb -0.31 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1qh5 s PRO 128 CO 0.37 -2.11 -0.12 0.00 0.04 0.00 0.00 177.00 175.18 1qh5 s ALA 129 N -3.65 0.96 -0.05 8.56 0.00 -0.33 -1.36 121.76 125.90 1qh5 s ALA 129 Ca 0.68 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.74 1qh5 s ALA 129 Cb -0.08 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.00 1qh5 s ALA 129 CO 0.51 0.10 -0.09 0.54 0.00 0.00 0.00 175.76 176.83 1qh5 s VAL 130 N -1.30 0.85 -0.43 0.00 0.11 0.20 -0.48 120.40 119.36 1qh5 s VAL 130 Ca -0.05 -0.33 -0.15 0.00 -2.93 0.00 0.00 61.98 58.53 1qh5 s VAL 130 Cb -0.10 -0.80 0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1qh5 s VAL 130 CO 0.02 0.29 0.32 -0.36 -3.33 0.00 0.00 175.10 172.04 1qh5 s PHE 131 N 0.67 3.24 -2.05 1.54 0.08 -0.14 -1.42 117.98 119.90 1qh5 s PHE 131 Ca -0.12 -0.74 0.20 0.00 0.12 0.00 0.00 56.93 56.39 1qh5 s PHE 131 Cb -0.14 -2.77 0.37 0.00 -0.57 0.00 0.00 43.02 39.90 1qh5 s PHE 131 CO 0.02 -0.66 1.31 0.25 -0.10 0.00 0.00 175.22 176.03 1qh5 n THR 132 N 5.16 0.53 0.00 0.64 -2.24 -0.80 -1.75 114.28 115.82 1qh5 n THR 132 Ca -0.11 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 1qh5 n THR 132 Cb 0.46 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1qh5 n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qh5 n GLY 133 N 1.23 2.88 1.52 3.38 0.00 -1.26 -1.45 105.19 111.48 1qh5 n GLY 133 Ca 0.17 0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.27 1qh5 n GLY 133 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qh5 n ASP 134 N 2.74 4.65 -0.07 1.61 9.92 -1.26 -0.64 116.55 133.50 1qh5 n ASP 134 Ca 0.00 -3.10 -0.09 0.00 -0.53 0.00 0.00 54.79 51.07 1qh5 n ASP 134 Cb 0.00 -0.65 -0.06 0.00 -0.64 0.00 0.00 41.12 39.77 1qh5 n ASP 134 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1qh5 h THR 135 N 2.69 0.55 -3.23 -3.53 2.02 -1.63 -2.28 112.91 107.49 1qh5 h THR 135 Ca 0.08 -1.53 -0.65 0.00 0.77 0.00 0.00 66.41 65.08 1qh5 h THR 135 Cb 1.87 1.16 -0.34 0.00 -1.74 0.00 0.00 68.15 69.11 1qh5 h THR 135 CO 0.46 0.19 -0.86 -0.22 0.37 0.00 0.00 175.52 175.45 1qh5 s LEU 136 N -8.22 2.02 0.39 2.58 2.96 -1.23 -2.47 118.68 114.71 1qh5 s LEU 136 Ca -0.15 -0.56 0.08 0.00 -0.22 0.00 0.00 54.13 53.28 1qh5 s LEU 136 Cb 0.02 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.32 1qh5 s LEU 136 CO 0.34 0.08 0.30 -0.36 -1.32 0.00 0.00 176.35 175.39 1qh5 s PHE 137 N 0.79 2.73 -0.28 5.38 0.08 -0.79 -4.62 117.98 121.27 1qh5 s PHE 137 Ca -0.08 -0.46 -0.29 0.00 0.12 0.00 0.00 56.93 56.22 1qh5 s PHE 137 Cb -0.16 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.27 1qh5 s PHE 137 CO -0.01 0.04 1.74 0.08 -0.10 0.00 0.00 175.22 176.97 1qh5 s VAL 138 N -2.45 3.54 -0.36 -0.44 1.01 -1.26 -2.36 120.40 118.07 1qh5 s VAL 138 Ca 0.44 0.57 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1qh5 s VAL 138 Cb -0.03 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1qh5 s VAL 138 CO 0.26 -0.37 0.00 0.00 0.00 0.00 0.00 175.10 175.00 1qh5 n ALA 139 N 9.59 -0.05 -3.00 5.51 0.00 -1.26 -4.45 120.51 126.84 1qh5 n ALA 139 Ca 0.21 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1qh5 n ALA 139 Cb 0.46 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1qh5 n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qh5 n GLY 140 N -1.41 3.39 3.58 0.00 0.00 -1.00 -4.42 105.19 105.33 1qh5 n GLY 140 Ca -0.03 -1.08 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 1qh5 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qh5 s GLY 142 N -2.88 1.83 0.59 0.00 0.00 -0.86 -4.87 107.32 101.14 1qh5 s GLY 142 Ca 0.09 0.23 -0.19 0.00 0.00 0.00 0.00 44.72 44.86 1qh5 s GLY 142 CO -0.01 0.55 1.19 0.54 0.00 0.00 0.00 173.10 175.37 1qh5 s LYS 143 N -4.68 3.00 -1.29 2.90 1.02 -1.26 -4.88 119.74 114.54 1qh5 s LYS 143 Ca 0.61 1.78 -0.06 0.00 0.02 0.00 0.00 55.97 58.31 1qh5 s LYS 143 Cb -0.15 -1.94 0.05 0.00 -0.52 0.00 0.00 37.83 35.27 1qh5 s LYS 143 CO 0.49 -1.17 2.59 1.19 -0.92 0.00 0.00 175.35 177.53 1qh5 n PHE 144 N -1.60 2.40 -0.31 3.18 3.72 -1.26 -4.26 117.46 119.33 1qh5 n PHE 144 Ca 0.13 -2.78 -0.04 0.00 -0.05 0.00 0.00 57.45 54.71 1qh5 n PHE 144 Cb 0.50 -1.95 0.10 0.00 -0.94 0.00 0.00 39.48 37.18 1qh5 n PHE 144 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 1qh5 h TYR 145 N 4.52 1.20 0.00 1.38 0.05 -1.69 -3.23 116.97 119.21 1qh5 h TYR 145 Ca 0.71 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 59.43 1qh5 h TYR 145 Cb 0.36 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.71 1qh5 h TYR 145 CO 1.67 0.86 -0.23 0.39 -1.05 0.00 0.00 178.16 179.80 1qh5 n GLU 146 N -4.31 1.16 -2.70 4.88 1.02 -1.00 -5.03 120.64 114.67 1qh5 n GLU 146 Ca 0.09 -2.56 -0.06 0.00 -0.02 0.00 0.00 57.16 54.60 1qh5 n GLU 146 Cb 0.13 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1qh5 n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qh5 n GLY 147 N -1.12 1.85 3.78 0.62 0.00 -0.63 -4.55 105.19 105.14 1qh5 n GLY 147 Ca 0.15 -1.29 -0.27 0.00 0.00 0.00 0.00 46.02 44.61 1qh5 n GLY 147 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qh5 s THR 148 N -2.56 1.94 0.22 2.61 -4.23 -1.26 -4.87 115.64 107.49 1qh5 s THR 148 Ca 0.12 -1.71 -0.06 0.00 -1.18 0.00 0.00 61.69 58.85 1qh5 s THR 148 Cb -0.02 -2.66 0.11 0.00 1.34 0.00 0.00 72.50 71.27 1qh5 s THR 148 CO 0.09 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 175.89 1qh5 h ALA 149 N 1.27 0.99 -0.83 3.99 0.00 -1.95 -1.95 119.26 120.77 1qh5 h ALA 149 Ca -0.42 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 1qh5 h ALA 149 Cb 1.27 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1qh5 h ALA 149 CO 0.68 0.64 0.47 0.22 0.00 0.00 0.00 179.25 181.26 1qh5 h ASP 150 N 0.95 1.03 -0.43 0.00 3.58 -1.97 -0.85 116.42 118.73 1qh5 h ASP 150 Ca 0.19 -0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.46 1qh5 h ASP 150 Cb 0.43 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1qh5 h ASP 150 CO 0.01 0.82 -0.04 -0.33 -2.88 0.00 0.00 179.24 176.82 1qh5 h GLU 151 N 1.16 0.86 -0.29 0.28 5.08 -1.71 -1.60 114.58 118.36 1qh5 h GLU 151 Ca 0.30 -0.26 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 1qh5 h GLU 151 Cb 0.01 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1qh5 h GLU 151 CO -0.05 0.89 -0.28 1.98 -1.00 0.00 0.00 179.01 180.55 1qh5 h MET 152 N 0.79 0.59 -0.57 2.33 4.05 -1.05 -0.62 114.93 120.46 1qh5 h MET 152 Ca 0.14 -0.25 -0.01 0.00 -0.28 0.00 0.00 59.70 59.31 1qh5 h MET 152 Cb 0.54 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.29 1qh5 h MET 152 CO 0.03 0.81 0.32 0.00 0.23 0.00 0.00 176.91 178.31 1qh5 h LYS 154 N 0.76 0.91 -0.48 0.00 1.57 -0.96 -0.22 116.57 118.15 1qh5 h LYS 154 Ca 0.20 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1qh5 h LYS 154 Cb 0.02 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1qh5 h LYS 154 CO -0.03 0.78 0.26 0.00 -0.57 0.00 0.00 179.45 179.89 1qh5 h ALA 155 N 1.08 0.62 0.12 3.86 0.00 -0.78 -1.37 119.26 122.79 1qh5 h ALA 155 Ca 0.20 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 1qh5 h ALA 155 Cb 0.23 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1qh5 h ALA 155 CO -0.01 0.16 -1.00 -0.07 0.00 0.00 0.00 179.25 178.32 1qh5 h LEU 156 N 0.64 0.40 0.02 0.00 3.38 -1.17 -0.27 115.31 118.31 1qh5 h LEU 156 Ca 0.17 -0.91 -0.28 0.00 0.09 0.00 0.00 57.88 56.95 1qh5 h LEU 156 Cb 0.07 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1qh5 h LEU 156 CO -0.03 1.46 -1.56 -0.07 0.09 0.00 0.00 178.44 178.33 1qh5 h LEU 157 N -0.40 0.05 0.00 1.67 3.38 -1.12 0.10 115.31 119.00 1qh5 h LEU 157 Ca -0.20 -0.09 -0.35 0.00 0.09 0.00 0.00 57.88 57.33 1qh5 h LEU 157 Cb 1.65 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 42.33 1qh5 h LEU 157 CO 0.10 1.08 -2.13 -0.62 0.09 0.00 0.00 178.44 176.96 1qh5 n GLU 158 N -3.16 0.49 0.07 1.13 1.02 -0.80 -3.85 120.64 115.54 1qh5 n GLU 158 Ca -0.14 0.22 -0.03 0.00 -0.02 0.00 0.00 57.16 57.18 1qh5 n GLU 158 Cb 1.03 -1.34 -0.01 0.00 -0.02 0.00 0.00 31.44 31.10 1qh5 n GLU 158 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1qh5 h VAL 159 N -0.85 0.00 -0.09 2.62 2.07 -1.32 -3.02 116.25 115.65 1qh5 h VAL 159 Ca -0.52 -0.19 -0.20 0.00 0.82 0.00 0.00 66.70 66.61 1qh5 h VAL 159 Cb 1.44 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1qh5 h VAL 159 CO -0.32 0.00 -0.75 -0.07 0.02 0.00 0.00 177.57 176.45 1qh5 h LEU 160 N -0.39 0.59 -1.07 2.57 3.38 -1.18 -3.31 115.31 115.89 1qh5 h LEU 160 Ca -0.02 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1qh5 h LEU 160 Cb 0.15 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1qh5 h LEU 160 CO 0.03 1.15 0.00 1.23 0.09 0.00 0.00 178.44 180.94 1qh5 h GLY 161 N 1.12 0.00 -1.34 0.83 0.00 -0.90 -2.35 103.07 100.43 1qh5 h GLY 161 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1qh5 h GLY 161 CO 0.14 0.00 -0.01 0.54 0.00 0.00 0.00 176.54 177.21 1qh5 n ARG 162 N -2.39 2.05 -1.27 4.80 1.74 -1.14 -4.94 116.66 115.51 1qh5 n ARG 162 Ca 0.01 -1.54 -0.30 0.00 -0.77 0.00 0.00 57.85 55.25 1qh5 n ARG 162 Cb 0.19 -1.47 0.13 0.00 -1.02 0.00 0.00 32.46 30.29 1qh5 n ARG 162 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1qh5 s LEU 163 N -2.01 2.37 0.33 0.55 1.43 -0.89 -4.96 118.68 115.50 1qh5 s LEU 163 Ca 0.32 1.48 -0.28 0.00 -1.03 0.00 0.00 54.13 54.61 1qh5 s LEU 163 Cb 0.20 -3.95 -0.12 0.00 0.03 0.00 0.00 46.19 42.35 1qh5 s LEU 163 CO 0.32 -2.48 1.33 -2.65 0.23 0.00 0.00 176.35 173.10 1qh5 n PRO 164 N -3.78 2.19 0.17 1.29 -0.02 -1.26 -4.88 135.00 128.71 1qh5 n PRO 164 Ca 0.07 0.77 0.15 0.00 -2.02 0.00 0.00 63.50 62.47 1qh5 n PRO 164 Cb 0.55 -2.38 0.74 0.00 -0.02 0.00 0.00 33.50 32.39 1qh5 n PRO 164 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1qh5 h PRO 165 N 2.86 0.00 -0.00 0.52 0.11 -1.93 -1.56 132.00 132.00 1qh5 h PRO 165 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1qh5 h PRO 165 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1qh5 h PRO 165 CO 0.65 0.00 -0.01 -0.40 -0.21 0.00 0.00 178.00 178.03 1qh5 n ASP 166 N -4.21 0.36 -4.68 -2.05 5.75 -1.26 -1.34 116.55 109.12 1qh5 n ASP 166 Ca 0.02 -1.05 -0.45 0.00 -0.01 0.00 0.00 54.79 53.31 1qh5 n ASP 166 Cb 0.30 -0.02 -0.04 0.00 -1.03 0.00 0.00 41.12 40.34 1qh5 n ASP 166 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1qh5 n THR 167 N -0.75 0.16 -2.66 2.12 -1.04 -0.59 -4.64 114.28 106.87 1qh5 n THR 167 Ca 0.22 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.05 61.78 1qh5 n THR 167 Cb 0.18 -1.65 -0.04 0.00 -1.82 0.00 0.00 70.33 67.00 1qh5 n THR 167 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1qh5 s ARG 168 N 0.75 4.64 -0.29 -2.82 3.00 -0.46 -1.96 118.95 121.80 1qh5 s ARG 168 Ca 0.76 1.52 -0.10 0.00 0.00 0.00 0.00 55.73 57.91 1qh5 s ARG 168 Cb -0.63 -3.37 -0.02 0.00 0.00 0.00 0.00 34.95 30.93 1qh5 s ARG 168 CO 0.38 0.11 0.15 0.08 0.00 0.00 0.00 175.30 176.02 1qh5 s VAL 169 N 0.21 4.74 -0.36 3.52 1.01 -0.00 -0.62 120.40 128.89 1qh5 s VAL 169 Ca 0.49 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.28 1qh5 s VAL 169 Cb -0.24 -3.33 0.10 0.00 0.00 0.00 0.00 36.38 32.91 1qh5 s VAL 169 CO 0.30 0.17 0.09 -0.31 0.00 0.00 0.00 175.10 175.36 1qh5 s TYR 170 N 1.65 3.70 0.56 5.22 2.02 -0.51 -2.19 117.35 127.81 1qh5 s TYR 170 Ca 0.06 -2.81 0.07 0.00 -0.37 0.00 0.00 57.07 54.02 1qh5 s TYR 170 Cb -0.16 -2.98 0.07 0.00 -0.40 0.00 0.00 41.96 38.49 1qh5 s TYR 170 CO 0.07 -0.95 0.77 0.00 -1.57 0.00 0.00 175.55 173.87 1qh5 h GLY 172 N 0.16 0.00 -3.44 0.00 0.00 -1.13 -3.42 103.07 95.23 1qh5 h GLY 172 Ca -0.34 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.71 1qh5 h GLY 172 CO 0.43 0.00 -0.72 0.30 0.00 0.00 0.00 176.54 176.55 1qh5 s HIS 173 N -3.20 0.97 -1.21 5.60 3.76 -1.26 -0.88 115.29 119.07 1qh5 s HIS 173 Ca 0.01 -0.75 -0.13 0.00 -0.15 0.00 0.00 55.06 54.03 1qh5 s HIS 173 Cb 0.10 -0.54 0.18 0.00 1.11 0.00 0.00 32.58 33.43 1qh5 s HIS 173 CO 0.75 -0.06 1.43 -1.91 -0.85 0.00 0.00 174.74 174.11 1qh5 n GLU 174 N 0.33 3.38 -0.11 1.40 4.07 0.19 -4.69 120.64 125.22 1qh5 n GLU 174 Ca -0.15 -3.87 0.04 0.00 -0.06 0.00 0.00 57.16 53.12 1qh5 n GLU 174 Cb 0.59 -3.02 0.09 0.00 -0.06 0.00 0.00 31.44 29.05 1qh5 n GLU 174 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1qh5 n TYR 175 N 5.46 0.28 -0.16 4.31 4.01 -1.26 -4.87 117.16 124.93 1qh5 n TYR 175 Ca 0.36 -0.46 -0.03 0.00 -0.16 0.00 0.00 57.90 57.62 1qh5 n TYR 175 Cb 0.42 -0.03 0.06 0.00 -0.31 0.00 0.00 39.34 39.48 1qh5 n TYR 175 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1qh5 h THR 176 N 1.33 0.79 -0.10 -0.72 2.02 -1.84 -0.67 112.91 113.72 1qh5 h THR 176 Ca 0.00 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1qh5 h THR 176 Cb 0.62 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1qh5 h THR 176 CO 0.00 0.06 0.06 0.40 0.37 0.00 0.00 175.52 176.41 1qh5 h ILE 177 N 0.31 1.05 -0.49 3.11 2.04 -1.91 -0.83 117.51 120.79 1qh5 h ILE 177 Ca 0.24 -0.13 -0.08 0.00 1.00 0.00 0.00 64.86 65.89 1qh5 h ILE 177 Cb 0.28 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1qh5 h ILE 177 CO -0.27 0.05 -0.03 0.78 0.00 0.00 0.00 178.15 178.67 1qh5 h ASN 178 N 0.11 0.82 -0.63 1.72 -0.26 -1.91 -1.37 115.58 114.06 1qh5 h ASN 178 Ca 0.04 -0.22 0.00 0.00 -0.56 0.00 0.00 56.30 55.56 1qh5 h ASN 178 Cb 0.02 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.03 1qh5 h ASN 178 CO -0.01 0.90 0.40 0.78 -1.06 0.00 0.00 177.43 178.45 1qh5 h ASN 179 N 0.78 0.73 0.46 5.81 2.35 -0.85 -2.36 115.58 122.50 1qh5 h ASN 179 Ca 0.14 -0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.73 1qh5 h ASN 179 Cb 0.51 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1qh5 h ASN 179 CO 0.03 0.55 -0.58 -0.07 -1.65 0.00 0.00 177.43 175.71 1qh5 h LEU 180 N 0.85 0.13 -0.79 1.61 3.38 -0.74 -1.30 115.31 118.44 1qh5 h LEU 180 Ca 0.23 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1qh5 h LEU 180 Cb -0.07 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1qh5 h LEU 180 CO -0.05 0.68 0.15 0.11 0.09 0.00 0.00 178.44 179.42 1qh5 h LYS 181 N 0.09 1.06 -0.27 1.13 1.57 -0.97 -0.57 116.57 118.60 1qh5 h LYS 181 Ca -0.00 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.46 1qh5 h LYS 181 Cb 1.04 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1qh5 h LYS 181 CO 0.08 0.95 -0.07 0.35 -0.57 0.00 0.00 179.45 180.19 1qh5 h PHE 182 N 1.01 0.58 -0.93 -1.35 3.57 -1.27 -2.93 116.94 115.62 1qh5 h PHE 182 Ca 0.21 -0.13 0.09 0.00 3.53 0.00 0.00 57.97 61.68 1qh5 h PHE 182 Cb 0.37 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 1qh5 h PHE 182 CO 0.03 0.73 0.57 0.00 -2.23 0.00 0.00 178.31 177.41 1qh5 h ALA 183 N 0.77 1.34 -0.32 2.41 0.00 -1.02 -1.54 119.26 120.91 1qh5 h ALA 183 Ca 0.07 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1qh5 h ALA 183 Cb 0.54 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1qh5 h ALA 183 CO 0.03 0.24 0.04 -0.09 0.00 0.00 0.00 179.25 179.47 1qh5 h ARG 184 N 0.97 0.47 -0.63 0.00 2.43 -0.99 -0.20 114.38 116.43 1qh5 h ARG 184 Ca 0.44 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.43 1qh5 h ARG 184 Cb 0.33 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1qh5 h ARG 184 CO -0.23 0.47 0.02 1.25 -1.51 0.00 0.00 179.97 179.97 1qh5 h HIS 185 N 0.46 1.19 -0.27 2.20 2.76 -1.12 -2.01 115.15 118.35 1qh5 h HIS 185 Ca 0.11 -0.20 -0.14 0.00 -2.20 0.00 0.00 60.37 57.94 1qh5 h HIS 185 Cb 0.24 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 28.89 1qh5 h HIS 185 CO 0.01 1.03 -0.36 0.28 -1.30 0.00 0.00 177.93 177.59 1qh5 h VAL 186 N 1.00 1.30 -2.71 5.26 2.07 -0.79 -3.39 116.25 118.98 1qh5 h VAL 186 Ca 0.18 -1.55 -0.60 0.00 0.82 0.00 0.00 66.70 65.55 1qh5 h VAL 186 Cb 0.55 1.64 -0.40 0.00 -1.52 0.00 0.00 31.29 31.56 1qh5 h VAL 186 CO 0.03 0.49 -0.79 -1.61 0.02 0.00 0.00 177.57 175.71 1qh5 s GLU 187 N -4.25 1.56 0.05 1.57 2.02 -0.14 -4.76 118.70 114.74 1qh5 s GLU 187 Ca -0.12 -2.58 0.15 0.00 0.02 0.00 0.00 54.97 52.43 1qh5 s GLU 187 Cb 0.09 -2.30 0.62 0.00 0.10 0.00 0.00 34.13 32.64 1qh5 s GLU 187 CO 0.84 -1.32 1.46 -0.35 0.02 0.00 0.00 175.26 175.91 1qh5 n PRO 188 N 2.58 0.03 -0.03 0.39 -0.04 -0.76 -2.01 135.00 135.16 1qh5 n PRO 188 Ca 0.23 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 64.13 1qh5 n PRO 188 Cb 0.41 -1.57 0.19 0.00 -0.04 0.00 0.00 33.50 32.49 1qh5 n PRO 188 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qh5 n GLY 189 N -0.19 0.95 3.60 0.55 0.00 -1.26 -4.92 105.19 103.92 1qh5 n GLY 189 Ca 0.03 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1qh5 n GLY 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qh5 s ASN 190 N -1.91 6.62 0.22 1.61 3.84 -0.85 -4.93 114.94 119.55 1qh5 s ASN 190 Ca 0.31 0.48 -0.04 0.00 0.21 0.00 0.00 52.86 53.82 1qh5 s ASN 190 Cb 0.21 -2.43 0.22 0.00 -0.55 0.00 0.00 41.25 38.69 1qh5 s ASN 190 CO 0.31 -0.81 1.67 0.00 -2.79 0.00 0.00 177.10 175.48 1qh5 h ALA 191 N 8.48 0.94 -0.76 1.71 0.00 -1.91 -2.95 119.26 124.77 1qh5 h ALA 191 Ca -0.24 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.35 1qh5 h ALA 191 Cb 1.08 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1qh5 h ALA 191 CO 0.95 0.62 0.51 0.00 0.00 0.00 0.00 179.25 181.32 1qh5 h ALA 192 N 1.12 1.47 0.28 0.00 0.00 -1.91 -1.67 119.26 118.55 1qh5 h ALA 192 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1qh5 h ALA 192 Cb 0.64 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1qh5 h ALA 192 CO 0.04 0.48 -0.13 0.82 0.00 0.00 0.00 179.25 180.46 1qh5 h ILE 193 N 1.02 0.77 -0.32 0.00 2.04 -1.79 -1.08 117.51 118.14 1qh5 h ILE 193 Ca 0.28 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 1qh5 h ILE 193 Cb -0.09 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1qh5 h ILE 193 CO -0.07 0.09 -0.07 0.08 0.00 0.00 0.00 178.15 178.19 1qh5 h ARG 194 N -0.61 0.52 -0.41 2.37 0.11 -1.38 -0.33 114.38 114.64 1qh5 h ARG 194 Ca -0.04 -0.13 -0.08 0.00 0.10 0.00 0.00 59.98 59.83 1qh5 h ARG 194 Cb 0.44 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 1qh5 h ARG 194 CO 0.06 0.60 -0.03 0.93 0.10 0.00 0.00 179.97 181.63 1qh5 h GLU 195 N 0.49 0.75 -0.54 0.08 5.08 -1.30 -2.15 114.58 116.99 1qh5 h GLU 195 Ca 0.10 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 1qh5 h GLU 195 Cb 0.43 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1qh5 h GLU 195 CO 0.02 0.85 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.65 1qh5 h LYS 196 N 0.58 0.94 -0.14 2.33 1.63 -1.01 -2.29 116.57 118.61 1qh5 h LYS 196 Ca 0.11 -0.29 -0.00 0.00 -0.85 0.00 0.00 60.65 59.63 1qh5 h LYS 196 Cb 0.53 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 1qh5 h LYS 196 CO 0.03 0.94 0.09 1.25 -3.45 0.00 0.00 179.45 178.30 1qh5 h LEU 197 N 0.86 0.17 -0.77 5.20 5.85 -0.91 -0.29 115.31 125.41 1qh5 h LEU 197 Ca 0.16 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1qh5 h LEU 197 Cb 0.53 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1qh5 h LEU 197 CO 0.03 0.17 0.39 0.00 -0.34 0.00 0.00 178.44 178.69 1qh5 h ALA 198 N 1.01 0.99 -0.54 1.25 0.00 -1.26 -1.33 119.26 119.39 1qh5 h ALA 198 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1qh5 h ALA 198 Cb 0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1qh5 h ALA 198 CO -0.01 0.54 0.29 2.35 0.00 0.00 0.00 179.25 182.42 1qh5 h TRP 199 N 1.08 0.74 -0.65 0.00 7.01 -1.26 -2.75 115.95 120.11 1qh5 h TRP 199 Ca 0.27 -0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.17 1qh5 h TRP 199 Cb 0.09 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 26.89 1qh5 h TRP 199 CO 0.01 0.55 0.09 0.00 -2.79 0.00 0.00 178.44 176.29 1qh5 h ALA 200 N 1.13 0.92 -0.94 2.65 0.00 -0.68 -1.56 119.26 120.79 1qh5 h ALA 200 Ca 0.19 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1qh5 h ALA 200 Cb 0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1qh5 h ALA 200 CO -0.03 0.66 0.62 0.87 0.00 0.00 0.00 179.25 181.37 1qh5 h LYS 201 N 1.01 1.24 -0.50 0.00 1.57 -1.09 -1.72 116.57 117.08 1qh5 h LYS 201 Ca 0.20 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 1qh5 h LYS 201 Cb 0.46 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1qh5 h LYS 201 CO 0.02 0.83 -0.09 1.49 -0.57 0.00 0.00 179.45 181.13 1qh5 h GLU 202 N 1.28 0.95 -0.68 3.15 4.57 -1.12 -1.98 114.58 120.73 1qh5 h GLU 202 Ca 0.34 -0.35 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1qh5 h GLU 202 Cb -0.14 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.36 1qh5 h GLU 202 CO -0.07 1.01 0.39 0.87 -1.18 0.00 0.00 179.01 180.03 1qh5 h LYS 203 N 0.81 0.94 -0.89 1.92 1.79 -1.04 -2.11 116.57 117.99 1qh5 h LYS 203 Ca 0.13 -0.10 -0.02 0.00 -2.18 0.00 0.00 60.65 58.49 1qh5 h LYS 203 Cb 0.64 -0.19 -0.04 0.00 -1.58 0.00 0.00 32.23 31.06 1qh5 h LYS 203 CO 0.04 0.69 0.49 -0.92 -1.08 0.00 0.00 179.45 178.67 1qh5 h TYR 204 N 0.93 1.23 -0.72 -1.35 3.20 -1.15 -1.56 116.97 117.55 1qh5 h TYR 204 Ca 0.24 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 1qh5 h TYR 204 Cb 0.01 -0.39 -0.03 0.00 1.54 0.00 0.00 36.73 37.85 1qh5 h TYR 204 CO -0.01 0.85 0.21 1.03 -1.64 0.00 0.00 178.16 178.60 1qh5 h SER 205 N 1.25 1.07 -0.07 -2.11 0.87 -0.73 -3.03 113.55 110.81 1qh5 h SER 205 Ca 0.32 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1qh5 h SER 205 Cb 0.02 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.70 1qh5 h SER 205 CO -0.05 1.01 0.00 2.30 -0.53 0.00 0.00 176.83 179.56 1qh5 n ILE 206 N -4.26 0.07 -1.76 2.23 -5.35 -0.88 -4.95 119.36 104.47 1qh5 n ILE 206 Ca 0.06 -0.30 -0.03 0.00 -0.27 0.00 0.00 62.75 62.21 1qh5 n ILE 206 Cb 0.24 0.50 -0.01 0.00 -1.74 0.00 0.00 39.64 38.64 1qh5 n ILE 206 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qh5 n GLY 207 N 1.17 0.36 3.65 3.28 0.00 -0.70 -5.05 105.19 107.90 1qh5 n GLY 207 Ca 0.18 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 1qh5 n GLY 207 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qh5 s GLU 208 N -3.57 2.88 0.67 1.61 2.02 -0.67 -5.03 118.70 116.61 1qh5 s GLU 208 Ca 0.00 -0.48 -0.16 0.00 0.02 0.00 0.00 54.97 54.35 1qh5 s GLU 208 Cb 0.00 -2.71 0.01 0.00 0.10 0.00 0.00 34.13 31.53 1qh5 s GLU 208 CO 0.00 0.68 1.19 -2.14 0.02 0.00 0.00 175.26 175.01 1qh5 s PRO 209 N -0.91 2.55 0.00 0.39 0.02 -1.26 -4.30 135.00 131.49 1qh5 s PRO 209 Ca 0.13 1.70 0.23 0.00 0.02 0.00 0.00 61.00 63.09 1qh5 s PRO 209 Cb -0.11 -1.89 0.84 0.00 0.02 0.00 0.00 34.50 33.36 1qh5 s PRO 209 CO 0.03 -1.50 1.60 0.25 -0.33 0.00 0.00 177.00 177.05 1qh5 n THR 210 N -2.28 0.15 -3.96 0.99 -2.24 -1.26 -4.85 114.28 100.83 1qh5 n THR 210 Ca 0.13 -0.32 -0.29 0.00 -2.27 0.00 0.00 64.05 61.30 1qh5 n THR 210 Cb 0.50 0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 69.09 1qh5 n THR 210 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1qh5 s VAL 211 N -1.85 5.19 0.44 2.28 -7.23 -1.26 -4.27 120.40 113.71 1qh5 s VAL 211 Ca 0.34 -0.59 -0.10 0.00 -1.81 0.00 0.00 61.98 59.81 1qh5 s VAL 211 Cb 0.18 -3.59 -0.06 0.00 0.56 0.00 0.00 36.38 33.48 1qh5 s VAL 211 CO 0.28 0.04 0.81 -2.16 -0.31 0.00 0.00 175.10 173.76 1qh5 s PRO 212 N -2.79 3.74 0.00 4.82 0.04 -1.26 -5.09 135.00 134.46 1qh5 s PRO 212 Ca 0.34 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1qh5 s PRO 212 Cb -0.12 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1qh5 s PRO 212 CO 0.27 -0.13 0.00 -1.13 0.04 0.00 0.00 177.00 176.05 1qh5 n SER 213 N -1.60 0.06 -4.31 6.66 3.41 -0.93 -4.84 113.62 112.07 1qh5 n SER 213 Ca 0.03 -0.98 -0.20 0.00 -0.26 0.00 0.00 58.87 57.46 1qh5 n SER 213 Cb 0.54 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.38 1qh5 n SER 213 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1qh5 s THR 214 N 0.96 1.66 0.28 6.66 -4.23 -1.26 -0.82 115.64 118.89 1qh5 s THR 214 Ca 0.00 -1.96 -0.04 0.00 -1.18 0.00 0.00 61.69 58.51 1qh5 s THR 214 Cb 0.00 -1.83 0.25 0.00 1.34 0.00 0.00 72.50 72.26 1qh5 s THR 214 CO 0.00 -0.43 1.94 -0.07 -0.54 0.00 0.00 174.62 175.52 1qh5 h LEU 215 N 3.10 1.02 -0.51 4.79 3.38 -1.32 -1.29 115.31 124.48 1qh5 h LEU 215 Ca -0.40 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.58 1qh5 h LEU 215 Cb 1.21 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 1qh5 h LEU 215 CO 0.54 0.76 0.24 0.00 0.09 0.00 0.00 178.44 180.07 1qh5 h ALA 216 N 1.42 0.65 -0.82 1.53 0.00 -1.51 -1.73 119.26 118.80 1qh5 h ALA 216 Ca 0.32 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 1qh5 h ALA 216 Cb -0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1qh5 h ALA 216 CO -0.06 -0.13 0.38 0.93 0.00 0.00 0.00 179.25 180.37 1qh5 h GLU 217 N 0.46 1.18 -0.38 0.00 5.08 -1.70 -2.91 114.58 116.32 1qh5 h GLU 217 Ca 0.23 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1qh5 h GLU 217 Cb 0.18 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1qh5 h GLU 217 CO -0.18 0.92 0.19 0.93 -1.00 0.00 0.00 179.01 179.87 1qh5 h GLU 218 N 1.16 0.52 0.00 2.33 4.39 -0.38 -0.67 114.58 121.93 1qh5 h GLU 218 Ca 0.28 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.93 1qh5 h GLU 218 Cb 0.14 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1qh5 h GLU 218 CO -0.03 0.39 0.00 0.74 -1.16 0.00 0.00 179.01 178.95 1qh5 h PHE 219 N 0.52 0.00 0.00 4.33 0.04 -1.21 -1.32 116.94 119.30 1qh5 h PHE 219 Ca 0.13 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.72 1qh5 h PHE 219 Cb 0.04 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.16 1qh5 h PHE 219 CO 0.00 0.00 -1.54 0.25 -0.60 0.00 0.00 178.31 176.42 1qh5 n THR 220 N -2.41 1.17 -0.35 -1.55 -2.24 -0.27 -4.70 114.28 103.93 1qh5 n THR 220 Ca 0.01 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1qh5 n THR 220 Cb 0.18 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 1qh5 n THR 220 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qh5 n TYR 221 N -2.85 0.00 -3.10 4.78 0.18 -1.12 -4.67 117.16 110.38 1qh5 n TYR 221 Ca -0.12 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.25 1qh5 n TYR 221 Cb 0.86 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.76 1qh5 n TYR 221 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 1qh5 s ASN 222 N -0.15 6.53 0.45 9.48 3.84 -0.51 -4.87 114.94 129.72 1qh5 s ASN 222 Ca 0.00 0.51 0.15 0.00 0.21 0.00 0.00 52.86 53.73 1qh5 s ASN 222 Cb 0.00 -2.34 1.03 0.00 -0.55 0.00 0.00 41.25 39.39 1qh5 s ASN 222 CO 0.00 -0.47 2.01 1.55 -2.79 0.00 0.00 177.10 177.40 1qh5 h PRO 223 N 8.12 0.00 -0.02 0.43 0.13 -1.89 -1.85 132.00 136.93 1qh5 h PRO 223 Ca -0.26 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.70 1qh5 h PRO 223 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1qh5 h PRO 223 CO 0.80 0.17 -0.75 0.74 -0.23 0.00 0.00 178.00 178.73 1qh5 h PHE 224 N 0.00 0.19 0.00 1.56 0.04 -1.91 -2.19 116.94 114.63 1qh5 h PHE 224 Ca -0.00 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1qh5 h PHE 224 Cb 0.30 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1qh5 h PHE 224 CO 0.00 0.83 0.00 0.52 -0.60 0.00 0.00 178.31 179.06 1qh5 h MET 225 N 0.08 0.00 -0.52 1.51 2.86 -1.67 -3.31 114.93 113.87 1qh5 h MET 225 Ca -0.02 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.47 1qh5 h MET 225 Cb 1.32 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.90 1qh5 h MET 225 CO 0.11 0.00 0.12 0.54 1.06 0.00 0.00 176.91 178.74 1qh5 n ARG 226 N -2.31 3.15 0.03 1.72 1.74 -0.77 -4.63 116.66 115.59 1qh5 n ARG 226 Ca 0.05 -3.04 0.06 0.00 -0.77 0.00 0.00 57.85 54.15 1qh5 n ARG 226 Cb 0.40 -2.04 0.29 0.00 -1.02 0.00 0.00 32.46 30.09 1qh5 n ARG 226 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1qh5 n VAL 227 N -0.44 1.20 1.27 1.55 0.24 -1.15 -1.47 118.33 119.53 1qh5 n VAL 227 Ca 0.34 0.33 0.13 0.00 -2.04 0.00 0.00 64.34 63.10 1qh5 n VAL 227 Cb 1.18 -1.18 0.41 0.00 -1.47 0.00 0.00 33.84 32.78 1qh5 n VAL 227 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1qh5 n ARG 228 N -1.66 0.85 -3.00 7.34 1.74 -1.26 -4.18 116.66 116.49 1qh5 n ARG 228 Ca 0.02 -0.48 -0.39 0.00 -0.77 0.00 0.00 57.85 56.23 1qh5 n ARG 228 Cb 0.13 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.02 1qh5 n ARG 228 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1qh5 s GLU 229 N -2.48 4.54 0.42 5.56 0.41 -0.54 -4.98 118.70 121.63 1qh5 s GLU 229 Ca 0.25 1.13 0.09 0.00 -0.41 0.00 0.00 54.97 56.04 1qh5 s GLU 229 Cb 0.19 -3.27 0.91 0.00 -1.78 0.00 0.00 34.13 30.19 1qh5 s GLU 229 CO 0.51 0.56 2.03 0.87 -0.49 0.00 0.00 175.26 178.74 1qh5 h LYS 230 N 4.40 0.49 -0.55 1.61 1.79 -1.92 -1.75 116.57 120.64 1qh5 h LYS 230 Ca -0.47 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 57.88 1qh5 h LYS 230 Cb 1.21 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.72 1qh5 h LYS 230 CO 0.66 0.33 -0.00 1.79 -1.08 0.00 0.00 179.45 181.15 1qh5 h THR 231 N 0.51 1.26 -0.19 -0.16 1.35 -1.93 -0.37 112.91 113.37 1qh5 h THR 231 Ca 0.19 -1.10 -0.17 0.00 -0.55 0.00 0.00 66.41 64.78 1qh5 h THR 231 Cb 0.14 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1qh5 h THR 231 CO -0.05 0.39 -0.56 0.58 -0.25 0.00 0.00 175.52 175.64 1qh5 h VAL 232 N 0.88 1.31 -0.74 6.82 2.07 -1.66 -2.21 116.25 122.71 1qh5 h VAL 232 Ca 0.16 -1.78 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 1qh5 h VAL 232 Cb 0.52 1.89 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 1qh5 h VAL 232 CO 0.03 0.56 0.43 1.56 0.02 0.00 0.00 177.57 180.17 1qh5 h GLN 233 N 0.43 1.02 -0.66 1.57 4.20 -1.21 -2.19 115.11 118.27 1qh5 h GLN 233 Ca -0.02 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1qh5 h GLN 233 Cb 1.18 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.72 1qh5 h GLN 233 CO 0.12 0.73 0.40 0.37 -0.67 0.00 0.00 178.83 179.78 1qh5 h GLN 234 N 1.02 0.90 -0.66 1.46 4.15 -0.99 -0.11 115.11 120.88 1qh5 h GLN 234 Ca 0.26 -0.08 0.04 0.00 0.77 0.00 0.00 58.65 59.64 1qh5 h GLN 234 Cb -0.01 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 27.45 1qh5 h GLN 234 CO -0.05 0.64 0.39 1.25 -1.93 0.00 0.00 178.83 179.14 1qh5 h HIS 235 N 0.90 0.73 0.00 3.99 2.76 -1.07 -2.22 115.15 120.23 1qh5 h HIS 235 Ca 0.24 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 1qh5 h HIS 235 Cb -0.02 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 28.70 1qh5 h HIS 235 CO -0.02 0.39 0.00 0.00 -1.30 0.00 0.00 177.93 177.01 1qh5 h ALA 236 N 1.30 1.00 -1.13 5.26 0.00 -1.05 -3.47 119.26 121.18 1qh5 h ALA 236 Ca 0.27 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 1qh5 h ALA 236 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1qh5 h ALA 236 CO -0.13 0.00 -0.20 0.41 0.00 0.00 0.00 179.25 179.33 1qh5 n GLY 237 N 0.74 0.05 3.49 0.00 0.00 -0.13 -5.01 105.19 104.33 1qh5 n GLY 237 Ca 0.04 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 1qh5 n GLY 237 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qh5 s GLU 238 N -4.40 1.71 -0.05 1.61 0.41 -0.73 -5.03 118.70 112.21 1qh5 s GLU 238 Ca 0.00 -1.95 0.08 0.00 -0.41 0.00 0.00 54.97 52.69 1qh5 s GLU 238 Cb -0.00 -1.05 0.12 0.00 -1.78 0.00 0.00 34.13 31.42 1qh5 s GLU 238 CO 0.00 -0.14 1.05 0.25 -0.49 0.00 0.00 175.26 175.93 1qh5 n THR 239 N -0.74 0.80 -3.86 3.63 -2.24 -1.26 -4.41 114.28 106.19 1qh5 n THR 239 Ca -0.03 -0.95 -0.09 0.00 -2.27 0.00 0.00 64.05 60.70 1qh5 n THR 239 Cb 0.67 0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 69.02 1qh5 n THR 239 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1qh5 s ASP 240 N -1.76 0.10 0.29 3.42 -4.77 -1.26 -5.08 116.67 107.60 1qh5 s ASP 240 Ca 0.13 -0.56 0.06 0.00 -3.30 0.00 0.00 52.55 48.88 1qh5 s ASP 240 Cb 0.12 0.32 0.43 0.00 -1.09 0.00 0.00 42.92 42.69 1qh5 s ASP 240 CO 0.01 -0.67 1.68 1.55 0.70 0.00 0.00 175.17 178.45 1qh5 h PRO 241 N 2.99 0.25 -0.11 2.11 0.13 -1.97 -2.39 132.00 133.01 1qh5 h PRO 241 Ca -0.33 -0.12 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1qh5 h PRO 241 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1qh5 h PRO 241 CO 0.54 0.64 -0.08 0.28 -0.23 0.00 0.00 178.00 179.14 1qh5 h VAL 242 N 0.20 1.35 -0.21 1.56 2.07 -1.92 0.33 116.25 119.62 1qh5 h VAL 242 Ca 0.02 -1.20 -0.09 0.00 0.82 0.00 0.00 66.70 66.25 1qh5 h VAL 242 Cb 0.85 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1qh5 h VAL 242 CO 0.07 0.34 -0.26 0.71 0.02 0.00 0.00 177.57 178.44 1qh5 h THR 243 N -0.15 1.26 -0.24 2.57 1.35 -1.97 -1.68 112.91 114.05 1qh5 h THR 243 Ca 0.02 -1.25 -0.02 0.00 -0.55 0.00 0.00 66.41 64.61 1qh5 h THR 243 Cb 0.58 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1qh5 h THR 243 CO 0.02 0.39 0.09 0.74 -0.25 0.00 0.00 175.52 176.52 1qh5 h THR 244 N 0.36 1.18 -0.65 6.82 2.02 -1.37 -1.54 112.91 119.72 1qh5 h THR 244 Ca 0.05 -0.54 0.05 0.00 0.77 0.00 0.00 66.41 66.74 1qh5 h THR 244 Cb 0.66 1.08 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 1qh5 h THR 244 CO 0.05 0.18 0.37 -0.03 0.37 0.00 0.00 175.52 176.46 1qh5 h MET 245 N 0.24 0.69 -0.67 6.66 -1.53 -0.63 -0.65 114.93 119.03 1qh5 h MET 245 Ca 0.08 -0.04 -0.02 0.00 -3.44 0.00 0.00 59.70 56.28 1qh5 h MET 245 Cb 0.19 -0.15 -0.03 0.00 -0.55 0.00 0.00 31.60 31.06 1qh5 h MET 245 CO -0.01 0.45 0.35 -0.09 0.14 0.00 0.00 176.91 177.76 1qh5 h ARG 246 N 0.71 0.95 -0.30 0.39 2.43 -1.14 -1.05 114.38 116.37 1qh5 h ARG 246 Ca 0.28 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 1qh5 h ARG 246 Cb 0.13 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1qh5 h ARG 246 CO -0.15 0.73 -0.15 0.00 -1.51 0.00 0.00 179.97 178.89 1qh5 h ALA 247 N 1.17 0.43 -0.45 2.80 0.00 -0.87 -1.70 119.26 120.64 1qh5 h ALA 247 Ca 0.23 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1qh5 h ALA 247 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1qh5 h ALA 247 CO -0.03 0.33 -0.11 0.28 0.00 0.00 0.00 179.25 179.72 1qh5 h VAL 248 N 0.39 1.26 -0.22 0.00 2.07 -1.06 -1.00 116.25 117.70 1qh5 h VAL 248 Ca 0.07 -1.19 -0.16 0.00 0.82 0.00 0.00 66.70 66.24 1qh5 h VAL 248 Cb 0.68 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1qh5 h VAL 248 CO 0.05 0.41 -0.52 -0.09 0.02 0.00 0.00 177.57 177.43 1qh5 h ARG 249 N 0.74 0.64 -0.67 1.57 9.65 -1.09 -0.55 114.38 124.66 1qh5 h ARG 249 Ca 0.12 -0.39 -0.06 0.00 -1.10 0.00 0.00 59.98 58.56 1qh5 h ARG 249 Cb 0.60 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.19 1qh5 h ARG 249 CO 0.04 1.00 0.20 -0.09 2.80 0.00 0.00 179.97 183.92 1qh5 h ARG 250 N 0.49 1.05 -0.45 0.20 2.43 -1.12 -1.79 114.38 115.19 1qh5 h ARG 250 Ca 0.02 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 1qh5 h ARG 250 Cb 1.07 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 1qh5 h ARG 250 CO 0.10 0.92 0.19 1.49 -1.51 0.00 0.00 179.97 181.17 1qh5 h GLU 251 N 0.98 0.67 -0.39 0.20 4.81 -1.02 -2.82 114.58 117.01 1qh5 h GLU 251 Ca 0.21 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1qh5 h GLU 251 Cb 0.32 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1qh5 h GLU 251 CO -0.00 0.60 0.01 -0.22 -0.73 0.00 0.00 179.01 178.66 1qh5 h LYS 252 N 0.59 0.62 -0.81 1.92 3.64 -0.88 -1.95 116.57 119.70 1qh5 h LYS 252 Ca 0.15 -0.14 0.17 0.00 -1.27 0.00 0.00 60.65 59.56 1qh5 h LYS 252 Cb 0.17 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 1qh5 h LYS 252 CO -0.01 0.64 0.54 -0.44 -2.27 0.00 0.00 179.45 177.91 1qh5 h ASP 253 N 0.59 0.41 -0.15 4.20 3.32 -1.06 -2.37 116.42 121.36 1qh5 h ASP 253 Ca 0.12 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1qh5 h ASP 253 Cb 0.37 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1qh5 h ASP 253 CO 0.01 0.20 0.00 0.00 -1.72 0.00 0.00 179.24 177.73 1qh5 n GLN 254 N -4.49 2.59 -2.11 3.56 10.64 -0.99 -5.04 117.38 121.54 1qh5 n GLN 254 Ca 0.16 -2.17 -0.42 0.00 -1.83 0.00 0.00 57.00 52.75 1qh5 n GLN 254 Cb 0.59 -1.36 -0.03 0.00 -0.86 0.00 0.00 30.24 28.58 1qh5 n GLN 254 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 1qh5 s PHE 255 N -1.78 3.20 -0.44 2.61 5.36 -0.77 -4.98 117.98 121.19 1qh5 s PHE 255 Ca 0.22 0.89 -0.25 0.00 -0.96 0.00 0.00 56.93 56.83 1qh5 s PHE 255 Cb 0.16 -3.74 0.02 0.00 -0.34 0.00 0.00 43.02 39.13 1qh5 s PHE 255 CO 0.07 -2.62 0.90 0.21 -1.46 0.00 0.00 175.22 172.33 1qh5 s LYS 256 N 1.02 3.60 0.02 10.12 2.20 -1.26 -5.01 119.74 130.44 1qh5 s LYS 256 Ca 0.65 0.23 -0.30 0.00 -0.36 0.00 0.00 55.97 56.19 1qh5 s LYS 256 Cb -0.39 -3.90 -0.07 0.00 -1.51 0.00 0.00 37.83 31.97 1qh5 s LYS 256 CO 0.31 -1.14 1.59 -1.64 -0.36 0.00 0.00 175.35 174.11 1qh5 s MET 257 N 3.62 4.22 0.78 4.03 -1.94 -1.26 -5.01 119.30 123.73 1qh5 s MET 257 Ca 0.36 2.21 -0.11 0.00 -1.71 0.00 0.00 55.69 56.44 1qh5 s MET 257 Cb -0.11 -3.68 0.06 0.00 2.01 0.00 0.00 34.83 33.11 1qh5 s MET 257 CO 0.24 -0.72 1.09 -1.25 -0.01 0.00 0.00 175.02 174.37 1qh5 s PRO 258 N 2.89 2.24 0.37 2.03 0.04 -1.26 -4.98 135.00 136.33 1qh5 s PRO 258 Ca 0.71 0.76 0.24 0.00 0.04 0.00 0.00 61.00 62.75 1qh5 s PRO 258 Cb -0.36 -1.93 0.49 0.00 0.04 0.00 0.00 34.50 32.74 1qh5 s PRO 258 CO 0.30 -1.54 1.66 -0.09 0.04 0.00 0.00 177.00 177.37 1qh5 h ARG 259 N -1.03 0.00 0.00 4.56 2.43 -2.05 -3.52 114.38 114.77 1qh5 h ARG 259 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1qh5 h ARG 259 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1qh5 h ARG 259 CO 0.58 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.79