#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qh3 s LYS 2 N 0.00 0.94 -0.23 3.17 2.20 -0.45 -4.95 119.74 120.43 1qh3 s LYS 2 Ca 0.00 -0.12 -0.05 0.00 -0.36 0.00 0.00 55.97 55.44 1qh3 s LYS 2 Cb 0.00 -0.96 -0.01 0.00 -1.51 0.00 0.00 37.83 35.35 1qh3 s LYS 2 CO 0.00 -0.10 -0.02 0.08 -0.36 0.00 0.00 175.35 174.95 1qh3 s VAL 3 N 1.05 3.59 -0.33 4.02 1.01 -1.26 -0.26 120.40 128.21 1qh3 s VAL 3 Ca -0.09 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 1qh3 s VAL 3 Cb -0.14 -2.65 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 1qh3 s VAL 3 CO -0.01 0.40 0.20 -1.61 0.00 0.00 0.00 175.10 174.08 1qh3 s GLU 4 N 1.50 3.31 -0.10 2.72 0.41 -0.29 -4.96 118.70 121.29 1qh3 s GLU 4 Ca 0.06 -0.75 -0.30 0.00 -0.41 0.00 0.00 54.97 53.57 1qh3 s GLU 4 Cb -0.14 -3.69 -0.02 0.00 -1.78 0.00 0.00 34.13 28.50 1qh3 s GLU 4 CO -0.02 -0.48 1.06 0.08 -0.49 0.00 0.00 175.26 175.42 1qh3 s VAL 5 N 1.65 4.63 -0.29 2.63 1.01 -1.26 -1.09 120.40 127.67 1qh3 s VAL 5 Ca 0.05 1.91 0.02 0.00 0.00 0.00 0.00 61.98 63.97 1qh3 s VAL 5 Cb -0.18 -4.23 0.08 0.00 0.00 0.00 0.00 36.38 32.06 1qh3 s VAL 5 CO 0.08 -0.01 -0.00 -0.76 0.00 0.00 0.00 175.10 174.41 1qh3 s LEU 6 N 2.15 3.63 0.54 3.92 1.43 0.55 -4.99 118.68 125.90 1qh3 s LEU 6 Ca 0.50 -1.69 -0.22 0.00 -1.03 0.00 0.00 54.13 51.69 1qh3 s LEU 6 Cb -0.20 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.56 1qh3 s LEU 6 CO 0.18 -0.31 1.38 -2.84 0.23 0.00 0.00 176.35 175.00 1qh3 s PRO 7 N 1.15 3.16 0.03 1.29 0.02 -1.26 -0.43 135.00 138.95 1qh3 s PRO 7 Ca 0.02 2.29 -0.11 0.00 0.02 0.00 0.00 61.00 63.22 1qh3 s PRO 7 Cb -0.19 -2.29 0.01 0.00 0.02 0.00 0.00 34.50 32.05 1qh3 s PRO 7 CO -0.09 -1.19 0.23 0.00 -0.33 0.00 0.00 177.00 175.62 1qh3 s ALA 8 N -1.28 -0.51 0.00 -1.55 0.00 -0.31 -4.83 121.76 113.29 1qh3 s ALA 8 Ca 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1qh3 s ALA 8 Cb -0.42 0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1qh3 s ALA 8 CO 0.50 -0.33 0.00 1.28 0.00 0.00 0.00 175.76 177.20 1qh3 n LEU 9 N 0.87 0.00 -0.01 0.00 4.77 -1.26 -1.43 117.00 119.93 1qh3 n LEU 9 Ca -0.20 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.57 1qh3 n LEU 9 Cb 0.58 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.54 1qh3 n LEU 9 CO 0.22 0.00 -0.62 0.74 -1.33 0.00 0.00 177.39 176.40 1qh3 h THR 10 N 0.00 0.83 0.00 -5.08 2.02 -2.03 -3.43 112.91 105.22 1qh3 h THR 10 Ca 0.00 -2.34 -0.11 0.00 0.77 0.00 0.00 66.41 64.73 1qh3 h THR 10 Cb 0.00 2.53 -0.20 0.00 -1.74 0.00 0.00 68.15 68.74 1qh3 h THR 10 CO 0.00 0.72 -0.62 -0.90 0.37 0.00 0.00 175.52 175.09 1qh3 n ASP 11 N -3.82 0.18 -4.92 4.18 5.68 -1.24 -5.02 116.55 111.60 1qh3 n ASP 11 Ca -0.29 -1.89 -0.27 0.00 -0.50 0.00 0.00 54.79 51.84 1qh3 n ASP 11 Cb 0.93 -0.09 -0.02 0.00 -1.14 0.00 0.00 41.12 40.80 1qh3 n ASP 11 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1qh3 s ASN 12 N -1.32 6.35 -0.07 -1.12 -0.87 -0.52 -0.41 114.94 116.98 1qh3 s ASN 12 Ca 0.15 0.72 0.02 0.00 -1.57 0.00 0.00 52.86 52.18 1qh3 s ASN 12 Cb 0.17 -2.15 0.01 0.00 -0.02 0.00 0.00 41.25 39.26 1qh3 s ASN 12 CO -0.07 -0.35 -0.13 -0.31 -2.57 0.00 0.00 177.10 173.66 1qh3 s TYR 13 N -2.37 1.55 0.13 2.20 2.02 0.12 -1.16 117.35 119.85 1qh3 s TYR 13 Ca 0.44 -0.58 0.05 0.00 -0.37 0.00 0.00 57.07 56.61 1qh3 s TYR 13 Cb -0.10 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.30 1qh3 s TYR 13 CO 0.36 -0.29 0.10 -1.64 -1.57 0.00 0.00 175.55 172.52 1qh3 s MET 14 N 0.62 2.84 -0.08 -0.62 -1.94 0.42 -4.76 119.30 115.78 1qh3 s MET 14 Ca -0.15 -0.83 0.00 0.00 -1.71 0.00 0.00 55.69 53.00 1qh3 s MET 14 Cb -0.16 -2.64 0.02 0.00 2.01 0.00 0.00 34.83 34.06 1qh3 s MET 14 CO 0.04 0.51 -0.06 0.71 -0.01 0.00 0.00 175.02 176.22 1qh3 s TYR 15 N -1.61 1.11 -0.43 -0.03 2.02 -1.02 -0.33 117.35 117.06 1qh3 s TYR 15 Ca 0.30 -0.45 -0.19 0.00 -0.37 0.00 0.00 57.07 56.36 1qh3 s TYR 15 Cb -0.11 -0.98 0.02 0.00 -0.40 0.00 0.00 41.96 40.50 1qh3 s TYR 15 CO 0.22 -0.36 0.52 -1.17 -1.57 0.00 0.00 175.55 173.19 1qh3 s LEU 16 N 1.44 4.72 -0.51 -1.29 2.96 -0.25 0.05 118.68 125.79 1qh3 s LEU 16 Ca -0.02 -0.54 -0.18 0.00 -0.22 0.00 0.00 54.13 53.18 1qh3 s LEU 16 Cb -0.13 -2.52 0.07 0.00 0.50 0.00 0.00 46.19 44.10 1qh3 s LEU 16 CO -0.04 -0.66 0.58 -0.69 -1.32 0.00 0.00 176.35 174.22 1qh3 s VAL 17 N 2.41 4.96 -0.20 1.68 1.01 0.43 -1.13 120.40 129.55 1qh3 s VAL 17 Ca 0.16 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 1qh3 s VAL 17 Cb -0.16 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.89 1qh3 s VAL 17 CO 0.16 -0.80 0.24 -0.63 0.00 0.00 0.00 175.10 174.06 1qh3 s ILE 18 N 2.37 5.32 -0.65 2.22 1.01 0.64 -1.02 121.20 131.08 1qh3 s ILE 18 Ca 0.11 0.38 -0.22 0.00 0.00 0.00 0.00 60.65 60.93 1qh3 s ILE 18 Cb -0.22 -3.57 0.08 0.00 0.01 0.00 0.00 42.46 38.76 1qh3 s ILE 18 CO 0.09 0.36 0.92 -0.62 0.00 0.00 0.00 174.94 175.69 1qh3 s ASP 19 N 0.76 6.19 0.36 3.58 2.15 0.92 -1.34 116.67 129.28 1qh3 s ASP 19 Ca 0.12 -1.12 0.21 0.00 0.43 0.00 0.00 52.55 52.20 1qh3 s ASP 19 Cb -0.13 -2.39 1.16 0.00 -0.30 0.00 0.00 42.92 41.26 1qh3 s ASP 19 CO 0.04 -1.36 1.63 0.44 -0.17 0.00 0.00 175.17 175.74 1qh3 h ASP 20 N 9.47 0.00 0.00 -0.34 3.32 -1.92 0.07 116.42 127.01 1qh3 h ASP 20 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1qh3 h ASP 20 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1qh3 h ASP 20 CO 1.16 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 178.06 1qh3 n GLU 21 N -2.28 0.00 0.00 3.56 1.02 -1.26 -4.35 120.64 117.32 1qh3 n GLU 21 Ca -0.01 0.46 0.12 0.00 -0.02 0.00 0.00 57.16 57.71 1qh3 n GLU 21 Cb 0.12 -0.96 0.57 0.00 -0.02 0.00 0.00 31.44 31.15 1qh3 n GLU 21 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1qh3 n THR 22 N -2.02 0.24 -2.19 2.62 -2.24 -1.23 -4.88 114.28 104.58 1qh3 n THR 22 Ca 0.00 0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.70 1qh3 n THR 22 Cb 0.00 -0.63 -0.01 0.00 -2.10 0.00 0.00 70.33 67.59 1qh3 n THR 22 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qh3 n LYS 23 N -1.44 -1.12 -4.00 -0.78 4.76 0.01 -4.92 118.16 110.66 1qh3 n LYS 23 Ca 0.08 0.72 -0.25 0.00 -2.87 0.00 0.00 58.31 55.98 1qh3 n LYS 23 Cb 0.27 -4.99 -0.04 0.00 -1.84 0.00 0.00 35.03 28.43 1qh3 n LYS 23 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1qh3 s GLU 24 N -4.57 3.25 0.08 1.97 2.02 -1.20 -0.67 118.70 119.59 1qh3 s GLU 24 Ca 0.00 -0.73 -0.10 0.00 0.02 0.00 0.00 54.97 54.16 1qh3 s GLU 24 Cb 0.00 -2.84 0.01 0.00 0.10 0.00 0.00 34.13 31.40 1qh3 s GLU 24 CO 0.00 0.49 0.24 0.00 0.02 0.00 0.00 175.26 176.01 1qh3 s ALA 25 N -1.80 -0.41 0.25 5.21 0.00 -0.35 -0.06 121.76 124.61 1qh3 s ALA 25 Ca 0.33 -0.41 0.11 0.00 0.00 0.00 0.00 51.96 51.99 1qh3 s ALA 25 Cb -0.10 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.44 1qh3 s ALA 25 CO 0.27 -0.50 -0.17 0.00 0.00 0.00 0.00 175.76 175.36 1qh3 s ALA 26 N -3.53 2.78 -0.06 0.00 0.00 -0.19 -0.81 121.76 119.96 1qh3 s ALA 26 Ca 0.02 -1.74 0.04 0.00 0.00 0.00 0.00 51.96 50.28 1qh3 s ALA 26 Cb 0.03 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 1qh3 s ALA 26 CO -0.09 0.34 -0.18 -1.50 0.00 0.00 0.00 175.76 174.32 1qh3 s ILE 27 N -2.18 1.54 -0.24 0.00 1.10 -0.19 -0.43 121.20 120.80 1qh3 s ILE 27 Ca 0.27 -0.76 -0.13 0.00 -0.51 0.00 0.00 60.65 59.53 1qh3 s ILE 27 Cb -0.06 -1.34 -0.04 0.00 0.15 0.00 0.00 42.46 41.16 1qh3 s ILE 27 CO 0.15 0.44 0.28 -0.69 -2.11 0.00 0.00 174.94 173.01 1qh3 s VAL 28 N 0.20 5.27 -0.86 4.00 1.01 0.11 -1.24 120.40 128.88 1qh3 s VAL 28 Ca -0.09 0.41 -0.04 0.00 0.00 0.00 0.00 61.98 62.27 1qh3 s VAL 28 Cb -0.14 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 1qh3 s VAL 28 CO 0.04 0.27 0.70 0.47 0.00 0.00 0.00 175.10 176.57 1qh3 n ASP 29 N 4.65 -6.34 -3.30 3.32 8.00 -0.77 -2.43 116.55 119.67 1qh3 n ASP 29 Ca -0.12 -0.57 -0.39 0.00 0.71 0.00 0.00 54.79 54.43 1qh3 n ASP 29 Cb 0.51 -3.77 -0.03 0.00 -0.02 0.00 0.00 41.12 37.81 1qh3 n ASP 29 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1qh3 n PRO 30 N -2.56 3.70 0.26 -0.24 -0.04 -1.22 -4.61 135.00 130.29 1qh3 n PRO 30 Ca -0.12 -2.20 0.10 0.00 -0.04 0.00 0.00 63.50 61.24 1qh3 n PRO 30 Cb 0.59 -2.79 0.69 0.00 -0.04 0.00 0.00 33.50 31.94 1qh3 n PRO 30 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1qh3 h VAL 31 N 2.99 0.83 -3.32 0.52 3.04 -1.82 -3.26 116.25 115.24 1qh3 h VAL 31 Ca 0.88 -0.29 -0.66 0.00 -1.01 0.00 0.00 66.70 65.61 1qh3 h VAL 31 Cb 0.29 1.17 -0.39 0.00 -2.01 0.00 0.00 31.29 30.35 1qh3 h VAL 31 CO 1.78 0.08 -0.46 -1.10 -1.01 0.00 0.00 177.57 176.86 1qh3 s GLN 32 N -4.65 2.49 0.19 4.17 -0.21 -1.26 -4.04 119.66 116.34 1qh3 s GLN 32 Ca -0.04 -2.95 -0.11 0.00 0.02 0.00 0.00 55.36 52.27 1qh3 s GLN 32 Cb 0.15 -3.56 0.20 0.00 1.00 0.00 0.00 33.01 30.81 1qh3 s GLN 32 CO 0.63 -1.21 1.77 -1.35 -2.12 0.00 0.00 175.29 173.01 1qh3 h PRO 33 N 6.18 0.45 -0.55 2.91 0.11 -1.85 -1.99 132.00 137.27 1qh3 h PRO 33 Ca 0.05 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.15 1qh3 h PRO 33 Cb 0.85 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.83 1qh3 h PRO 33 CO 0.73 0.30 0.36 1.96 -0.21 0.00 0.00 178.00 181.15 1qh3 h GLN 34 N 0.47 0.64 -0.62 1.05 1.08 -1.94 -0.53 115.11 115.26 1qh3 h GLN 34 Ca 0.26 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.40 1qh3 h GLN 34 Cb 0.24 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 1qh3 h GLN 34 CO -0.22 0.42 0.28 -0.22 -0.95 0.00 0.00 178.83 178.15 1qh3 h LYS 35 N 0.66 0.88 -0.22 1.46 3.64 -1.80 -1.70 116.57 119.49 1qh3 h LYS 35 Ca 0.22 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1qh3 h LYS 35 Cb 0.05 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1qh3 h LYS 35 CO -0.06 0.69 0.05 0.28 -2.27 0.00 0.00 179.45 178.14 1qh3 h VAL 36 N 0.87 1.21 -0.46 2.00 2.07 -0.88 -2.20 116.25 118.87 1qh3 h VAL 36 Ca 0.21 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1qh3 h VAL 36 Cb 0.11 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1qh3 h VAL 36 CO -0.03 0.22 0.27 0.58 0.02 0.00 0.00 177.57 178.64 1qh3 h VAL 37 N 0.16 1.04 -0.67 2.57 2.07 -0.84 -0.11 116.25 120.48 1qh3 h VAL 37 Ca 0.07 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1qh3 h VAL 37 Cb 0.29 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1qh3 h VAL 37 CO 0.00 0.10 0.29 0.44 0.02 0.00 0.00 177.57 178.42 1qh3 h ASP 38 N 0.54 0.90 -0.00 0.57 3.32 -1.29 -0.79 116.42 119.67 1qh3 h ASP 38 Ca 0.19 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1qh3 h ASP 38 Cb 0.02 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 1qh3 h ASP 38 CO -0.09 0.81 0.00 0.00 -1.72 0.00 0.00 179.24 178.24 1qh3 h ALA 39 N 1.13 0.00 -0.64 3.45 0.00 -0.91 0.39 119.26 122.69 1qh3 h ALA 39 Ca 0.23 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1qh3 h ALA 39 Cb 0.17 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1qh3 h ALA 39 CO -0.02 -0.47 0.42 0.00 0.00 0.00 0.00 179.25 179.18 1qh3 h ALA 40 N 0.94 1.62 -0.19 0.00 0.00 -0.75 -0.89 119.26 119.99 1qh3 h ALA 40 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1qh3 h ALA 40 Cb 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1qh3 h ALA 40 CO -0.00 0.33 -0.69 0.00 0.00 0.00 0.00 179.25 178.88 1qh3 h ARG 41 N 0.79 0.77 -0.29 0.00 3.08 -0.59 -1.06 114.38 117.09 1qh3 h ARG 41 Ca 0.25 -0.58 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 1qh3 h ARG 41 Cb 0.02 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1qh3 h ARG 41 CO -0.06 1.19 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.80 1qh3 h LYS 42 N 0.55 0.43 -0.60 0.04 3.64 0.56 -2.45 116.57 118.74 1qh3 h LYS 42 Ca -0.03 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1qh3 h LYS 42 Cb 1.30 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1qh3 h LYS 42 CO 0.14 0.47 0.00 0.72 -2.27 0.00 0.00 179.45 178.51 1qh3 n HIS 43 N -4.30 0.90 -3.93 1.91 8.25 -0.41 -4.96 115.22 112.68 1qh3 n HIS 43 Ca 0.01 -0.42 -0.29 0.00 -0.26 0.00 0.00 57.72 56.76 1qh3 n HIS 43 Cb 0.23 -0.06 0.01 0.00 1.12 0.00 0.00 29.99 31.30 1qh3 n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qh3 n GLY 44 N 1.32 -0.43 3.37 -1.41 0.00 -0.89 -4.98 105.19 102.17 1qh3 n GLY 44 Ca 0.20 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 46.18 1qh3 n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qh3 s VAL 45 N -3.42 1.97 -0.34 1.61 -7.23 -0.45 -4.96 120.40 107.58 1qh3 s VAL 45 Ca 0.50 -2.13 -0.14 0.00 -1.81 0.00 0.00 61.98 58.41 1qh3 s VAL 45 Cb -0.26 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.63 1qh3 s VAL 45 CO 0.85 -0.42 0.28 -0.75 -0.31 0.00 0.00 175.10 174.75 1qh3 s LYS 46 N -3.23 3.56 0.03 4.82 2.20 0.16 -4.57 119.74 122.70 1qh3 s LYS 46 Ca 0.21 -0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 1qh3 s LYS 46 Cb -0.04 -3.79 -0.06 0.00 -1.51 0.00 0.00 37.83 32.43 1qh3 s LYS 46 CO 0.09 -0.45 1.37 -1.17 -0.36 0.00 0.00 175.35 174.83 1qh3 s LEU 47 N 1.83 4.33 0.00 5.43 2.96 -1.26 -1.21 118.68 130.76 1qh3 s LEU 47 Ca 0.08 2.13 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 1qh3 s LEU 47 Cb -0.17 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1qh3 s LEU 47 CO 0.11 -0.68 0.00 0.35 -1.32 0.00 0.00 176.35 174.81 1qh3 n THR 48 N 4.44 0.00 -4.01 3.68 -2.24 0.01 -4.89 114.28 111.28 1qh3 n THR 48 Ca 0.12 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.78 1qh3 n THR 48 Cb 0.44 0.26 -0.12 0.00 -2.10 0.00 0.00 70.33 68.80 1qh3 n THR 48 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qh3 s THR 49 N -1.72 0.26 -0.11 4.28 2.01 -1.16 -1.53 115.64 117.67 1qh3 s THR 49 Ca 0.00 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.41 1qh3 s THR 49 Cb 0.00 -0.31 0.00 0.00 0.01 0.00 0.00 72.50 72.20 1qh3 s THR 49 CO 0.00 -0.24 -0.23 -0.69 -0.69 0.00 0.00 174.62 172.77 1qh3 s VAL 50 N -0.86 2.01 -0.24 3.82 1.01 0.42 -1.03 120.40 125.54 1qh3 s VAL 50 Ca -0.07 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 1qh3 s VAL 50 Cb -0.06 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.58 1qh3 s VAL 50 CO -0.00 0.55 -0.06 -0.76 0.00 0.00 0.00 175.10 174.82 1qh3 s LEU 51 N 0.52 3.08 -0.26 3.92 1.43 -0.37 -0.88 118.68 126.12 1qh3 s LEU 51 Ca -0.15 -0.76 -0.07 0.00 -1.03 0.00 0.00 54.13 52.12 1qh3 s LEU 51 Cb -0.17 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1qh3 s LEU 51 CO 0.05 -0.10 0.08 -0.89 0.23 0.00 0.00 176.35 175.72 1qh3 s THR 52 N 1.36 4.25 0.12 5.49 2.01 -0.53 -1.84 115.64 126.49 1qh3 s THR 52 Ca 0.02 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 61.58 1qh3 s THR 52 Cb -0.16 -3.05 -0.09 0.00 0.01 0.00 0.00 72.50 69.21 1qh3 s THR 52 CO -0.05 0.26 1.40 0.71 -0.69 0.00 0.00 174.62 176.25 1qh3 h THR 53 N 5.62 1.28 -2.78 -0.82 1.35 -1.89 -3.41 112.91 112.27 1qh3 h THR 53 Ca -0.36 -1.68 0.10 0.00 -0.55 0.00 0.00 66.41 63.91 1qh3 h THR 53 Cb 1.16 1.65 -0.07 0.00 -1.73 0.00 0.00 68.15 69.16 1qh3 h THR 53 CO 0.59 0.54 0.31 -1.38 -0.25 0.00 0.00 175.52 175.34 1qh3 s HIS 54 N -4.15 -0.20 -0.42 4.73 -3.43 -1.26 -0.23 115.29 110.33 1qh3 s HIS 54 Ca -0.11 -0.19 0.26 0.00 -0.80 0.00 0.00 55.06 54.22 1qh3 s HIS 54 Cb 0.10 0.67 0.98 0.00 -1.43 0.00 0.00 32.58 32.90 1qh3 s HIS 54 CO 0.88 -1.07 1.77 1.12 -2.00 0.00 0.00 174.74 175.44 1qh3 h HIS 55 N 2.00 0.00 -2.67 0.38 2.07 -1.91 -3.33 115.15 111.69 1qh3 h HIS 55 Ca -0.22 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.71 1qh3 h HIS 55 Cb 1.25 0.00 0.11 0.00 2.57 0.00 0.00 27.41 31.34 1qh3 h HIS 55 CO 0.40 0.00 0.16 0.72 -3.07 0.00 0.00 177.93 176.14 1qh3 n HIS 56 N -2.47 1.32 -0.24 6.12 8.25 -1.26 -4.45 115.22 122.48 1qh3 n HIS 56 Ca 0.03 0.66 0.06 0.00 -0.26 0.00 0.00 57.72 58.21 1qh3 n HIS 56 Cb 0.31 -2.26 0.31 0.00 1.12 0.00 0.00 29.99 29.47 1qh3 n HIS 56 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 1qh3 h TRP 57 N 1.94 0.88 0.00 4.41 5.08 -1.94 0.89 115.95 127.22 1qh3 h TRP 57 Ca -0.41 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.58 1qh3 h TRP 57 Cb 1.33 -0.29 0.00 0.00 -3.00 0.00 0.00 29.16 27.21 1qh3 h TRP 57 CO 0.47 0.44 0.00 -0.40 -1.28 0.00 0.00 178.44 177.67 1qh3 n ASP 58 N -4.50 0.00 -0.04 0.11 5.75 -1.26 -0.55 116.55 116.06 1qh3 n ASP 58 Ca 0.13 0.19 -0.08 0.00 -0.01 0.00 0.00 54.79 55.03 1qh3 n ASP 58 Cb 0.26 -0.33 -0.03 0.00 -1.03 0.00 0.00 41.12 39.99 1qh3 n ASP 58 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1qh3 n HIS 59 N -1.33 0.00 0.84 2.11 8.25 0.10 -4.61 115.22 120.58 1qh3 n HIS 59 Ca 0.05 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.60 1qh3 n HIS 59 Cb 0.10 -0.30 -0.01 0.00 1.12 0.00 0.00 29.99 30.90 1qh3 n HIS 59 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qh3 n ALA 60 N -3.12 3.43 0.22 -1.41 0.00 -0.02 -3.45 120.51 116.16 1qh3 n ALA 60 Ca -0.15 -0.58 0.12 0.00 0.00 0.00 0.00 53.44 52.83 1qh3 n ALA 60 Cb 0.63 -0.66 0.62 0.00 0.00 0.00 0.00 19.45 20.04 1qh3 n ALA 60 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1qh3 h GLY 61 N 4.09 0.00 -1.51 0.00 0.00 -0.99 -1.79 103.07 102.87 1qh3 h GLY 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qh3 h GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1qh3 n GLY 62 N -1.01 0.78 0.11 4.60 0.00 -1.25 -4.67 105.19 103.75 1qh3 n GLY 62 Ca -0.01 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 1qh3 n GLY 62 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1qh3 h ASN 63 N 3.35 0.13 -0.81 1.61 4.21 -1.52 0.79 115.58 123.34 1qh3 h ASN 63 Ca 0.00 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.52 1qh3 h ASN 63 Cb 0.75 -0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 37.90 1qh3 h ASN 63 CO 0.00 0.11 0.47 -0.33 -1.29 0.00 0.00 177.43 176.39 1qh3 h GLU 64 N 0.22 1.11 -0.17 0.81 4.39 -1.80 -2.07 114.58 117.07 1qh3 h GLU 64 Ca 0.10 -0.11 -0.16 0.00 0.34 0.00 0.00 59.36 59.52 1qh3 h GLU 64 Cb 0.04 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 1qh3 h GLU 64 CO -0.08 0.80 -0.57 -0.22 -1.16 0.00 0.00 179.01 177.78 1qh3 h LYS 65 N 1.12 0.53 -0.40 2.33 3.64 -1.79 -2.75 116.57 119.24 1qh3 h LYS 65 Ca 0.29 -0.34 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1qh3 h LYS 65 Cb -0.01 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1qh3 h LYS 65 CO -0.05 0.95 0.08 1.25 -2.27 0.00 0.00 179.45 179.41 1qh3 h LEU 66 N 0.40 0.63 -2.03 5.20 5.85 -0.59 -1.06 115.31 123.71 1qh3 h LEU 66 Ca 0.00 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1qh3 h LEU 66 Cb 1.11 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 1qh3 h LEU 66 CO 0.11 0.71 -0.04 0.58 -0.34 0.00 0.00 178.44 179.45 1qh3 h VAL 67 N 0.52 0.89 0.00 1.05 2.07 -1.37 0.18 116.25 119.59 1qh3 h VAL 67 Ca 0.13 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1qh3 h VAL 67 Cb 0.34 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1qh3 h VAL 67 CO 0.00 0.04 -0.16 0.11 0.02 0.00 0.00 177.57 177.59 1qh3 h LYS 68 N 0.00 0.00 0.00 1.57 1.57 -1.07 -3.22 116.57 115.42 1qh3 h LYS 68 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 1qh3 h LYS 68 Cb 0.09 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1qh3 h LYS 68 CO 0.01 0.16 -1.53 1.28 -0.57 0.00 0.00 179.45 178.79 1qh3 n LEU 69 N -3.15 0.85 -3.92 2.94 4.77 -0.03 -4.91 117.00 113.56 1qh3 n LEU 69 Ca 0.03 0.39 -0.23 0.00 -0.03 0.00 0.00 56.01 56.17 1qh3 n LEU 69 Cb 0.58 0.11 -0.17 0.00 -2.33 0.00 0.00 43.42 41.62 1qh3 n LEU 69 CO 0.36 0.24 -0.43 -1.61 -1.33 0.00 0.00 177.39 174.61 1qh3 s GLU 70 N -2.80 1.18 0.37 3.23 0.41 0.43 -5.10 118.70 116.42 1qh3 s GLU 70 Ca -0.04 -0.20 -0.05 0.00 -0.41 0.00 0.00 54.97 54.28 1qh3 s GLU 70 Cb 0.08 -1.15 -0.05 0.00 -1.78 0.00 0.00 34.13 31.24 1qh3 s GLU 70 CO 0.82 -0.10 0.65 -1.54 -0.49 0.00 0.00 175.26 174.59 1qh3 s SER 71 N 1.09 6.37 -0.26 -0.19 1.04 -1.26 -4.24 113.70 116.25 1qh3 s SER 71 Ca -0.08 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.13 1qh3 s SER 71 Cb -0.14 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1qh3 s SER 71 CO -0.01 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1qh3 n GLY 72 N -1.56 0.54 3.77 7.32 0.00 -1.26 -5.00 105.19 109.00 1qh3 n GLY 72 Ca -0.01 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 1qh3 n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qh3 s LEU 73 N -0.55 4.42 -0.22 0.99 1.02 -1.26 -4.95 118.68 118.12 1qh3 s LEU 73 Ca 0.00 2.47 -0.10 0.00 0.02 0.00 0.00 54.13 56.51 1qh3 s LEU 73 Cb 0.00 -3.73 -0.05 0.00 0.02 0.00 0.00 46.19 42.43 1qh3 s LEU 73 CO 0.00 -0.43 0.16 -0.54 0.02 0.00 0.00 176.35 175.55 1qh3 s LYS 74 N -1.79 4.13 -0.25 1.70 1.02 -0.58 -4.93 119.74 119.04 1qh3 s LYS 74 Ca 0.49 -0.23 0.03 0.00 0.02 0.00 0.00 55.97 56.28 1qh3 s LYS 74 Cb -0.35 -3.49 0.05 0.00 -0.52 0.00 0.00 37.83 33.53 1qh3 s LYS 74 CO 0.46 0.17 -0.12 0.08 -0.92 0.00 0.00 175.35 175.01 1qh3 s VAL 75 N 0.75 2.11 0.04 3.17 1.01 -1.26 -0.44 120.40 125.78 1qh3 s VAL 75 Ca 0.08 -1.52 -0.01 0.00 0.00 0.00 0.00 61.98 60.54 1qh3 s VAL 75 Cb -0.12 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1qh3 s VAL 75 CO 0.02 0.05 0.18 -0.31 0.00 0.00 0.00 175.10 175.03 1qh3 s TYR 76 N 1.14 3.48 -0.15 5.22 1.51 -0.06 -0.75 117.35 127.76 1qh3 s TYR 76 Ca -0.07 0.26 -0.34 0.00 -1.01 0.00 0.00 57.07 55.92 1qh3 s TYR 76 Cb -0.19 -1.77 0.13 0.00 -0.11 0.00 0.00 41.96 40.03 1qh3 s TYR 76 CO -0.06 0.60 1.24 0.20 -1.11 0.00 0.00 175.55 176.42 1qh3 s GLY 77 N -2.28 -0.32 -0.14 0.71 0.00 -1.16 -1.46 107.32 102.67 1qh3 s GLY 77 Ca 0.31 1.37 0.16 0.00 0.00 0.00 0.00 44.72 46.57 1qh3 s GLY 77 CO 0.24 0.43 1.33 0.61 0.00 0.00 0.00 173.10 175.70 1qh3 n GLY 78 N -0.19 4.08 2.84 0.20 0.00 -1.25 -0.95 105.19 109.92 1qh3 n GLY 78 Ca -0.02 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 1qh3 n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qh3 s ASP 79 N -2.03 0.08 0.57 1.61 -1.08 -1.25 -4.61 116.67 109.94 1qh3 s ASP 79 Ca 0.36 0.18 0.27 0.00 -0.52 0.00 0.00 52.55 52.85 1qh3 s ASP 79 Cb 0.29 0.07 1.50 0.00 -1.46 0.00 0.00 42.92 43.33 1qh3 s ASP 79 CO 0.08 -0.15 2.01 0.44 0.52 0.00 0.00 175.17 178.07 1qh3 h ASP 80 N 7.39 0.00 0.57 -0.34 3.32 -1.96 -1.54 116.42 123.86 1qh3 h ASP 80 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1qh3 h ASP 80 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1qh3 h ASP 80 CO 0.42 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.48 1qh3 n ARG 81 N -4.01 0.06 -2.47 3.56 1.74 -1.26 -4.71 116.66 109.57 1qh3 n ARG 81 Ca 0.06 0.31 -0.42 0.00 -0.77 0.00 0.00 57.85 57.03 1qh3 n ARG 81 Cb 0.51 -1.62 -0.03 0.00 -1.02 0.00 0.00 32.46 30.30 1qh3 n ARG 81 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1qh3 s ILE 82 N -3.10 4.18 0.47 0.55 1.01 -0.58 -4.91 121.20 118.81 1qh3 s ILE 82 Ca 0.06 1.56 -0.20 0.00 0.00 0.00 0.00 60.65 62.07 1qh3 s ILE 82 Cb 0.09 -4.00 -0.09 0.00 0.01 0.00 0.00 42.46 38.47 1qh3 s ILE 82 CO 0.30 0.12 1.00 -0.83 0.00 0.00 0.00 174.94 175.53 1qh3 s GLY 83 N 1.06 2.44 -1.80 6.18 0.00 -1.26 -4.06 107.32 109.88 1qh3 s GLY 83 Ca 0.58 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.80 1qh3 s GLY 83 CO 0.29 0.81 0.00 0.00 0.00 0.00 0.00 173.10 174.20 1qh3 n ALA 84 N -0.86 -0.34 -1.76 3.20 0.00 -1.26 -4.56 120.51 114.93 1qh3 n ALA 84 Ca 0.08 0.25 -0.39 0.00 0.00 0.00 0.00 53.44 53.38 1qh3 n ALA 84 Cb 0.53 -1.87 0.02 0.00 0.00 0.00 0.00 19.45 18.13 1qh3 n ALA 84 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qh3 s LEU 85 N -4.37 4.03 -0.03 0.00 1.43 -1.26 -4.61 118.68 113.87 1qh3 s LEU 85 Ca 0.00 2.81 0.05 0.00 -1.03 0.00 0.00 54.13 55.96 1qh3 s LEU 85 Cb 0.00 -4.07 -0.07 0.00 0.03 0.00 0.00 46.19 42.09 1qh3 s LEU 85 CO 0.00 -1.27 0.06 0.35 0.23 0.00 0.00 176.35 175.72 1qh3 n THR 86 N -0.47 0.17 -3.80 5.49 -2.24 0.07 -4.92 114.28 108.59 1qh3 n THR 86 Ca 0.07 -0.16 -0.20 0.00 -2.27 0.00 0.00 64.05 61.49 1qh3 n THR 86 Cb 0.43 -0.27 -0.17 0.00 -2.10 0.00 0.00 70.33 68.22 1qh3 n THR 86 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1qh3 s HIS 87 N -2.23 0.35 -0.25 4.78 3.76 -0.87 -4.93 115.29 115.89 1qh3 s HIS 87 Ca -0.02 0.03 -0.14 0.00 -0.15 0.00 0.00 55.06 54.78 1qh3 s HIS 87 Cb 0.02 -0.55 -0.04 0.00 1.11 0.00 0.00 32.58 33.12 1qh3 s HIS 87 CO 0.20 -0.21 0.32 0.21 -0.85 0.00 0.00 174.74 174.41 1qh3 s LYS 88 N 1.66 4.05 0.41 1.40 2.47 -1.26 -2.99 119.74 125.48 1qh3 s LYS 88 Ca -0.01 -0.02 0.07 0.00 -1.56 0.00 0.00 55.97 54.45 1qh3 s LYS 88 Cb -0.13 -3.61 -0.05 0.00 -1.46 0.00 0.00 37.83 32.59 1qh3 s LYS 88 CO -0.03 -0.15 0.21 0.96 0.16 0.00 0.00 175.35 176.49 1qh3 s ILE 89 N 1.69 2.44 0.01 5.43 -5.25 -0.12 -4.97 121.20 120.43 1qh3 s ILE 89 Ca 0.14 -1.64 0.00 0.00 -0.99 0.00 0.00 60.65 58.16 1qh3 s ILE 89 Cb -0.15 -2.99 -0.00 0.00 2.95 0.00 0.00 42.46 42.26 1qh3 s ILE 89 CO 0.09 -0.02 0.01 1.07 -1.79 0.00 0.00 174.94 174.30 1qh3 n THR 90 N -1.28 0.00 -1.69 8.37 5.66 -1.26 -4.20 114.28 119.88 1qh3 n THR 90 Ca -0.00 -0.07 -0.44 0.00 -3.05 0.00 0.00 64.05 60.49 1qh3 n THR 90 Cb 0.64 0.04 -0.03 0.00 -1.55 0.00 0.00 70.33 69.42 1qh3 n THR 90 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 1qh3 n HIS 91 N -0.02 2.55 -0.99 1.09 -0.00 -1.26 -1.70 115.22 114.89 1qh3 n HIS 91 Ca 0.00 -0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.14 1qh3 n HIS 91 Cb 0.02 -2.69 0.00 0.00 -0.12 0.00 0.00 29.99 27.20 1qh3 n HIS 91 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1qh3 n LEU 92 N 5.14 0.17 -4.76 0.27 4.77 0.63 -4.94 117.00 118.29 1qh3 n LEU 92 Ca 0.18 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.77 1qh3 n LEU 92 Cb 0.35 -0.79 0.02 0.00 -2.33 0.00 0.00 43.42 40.66 1qh3 n LEU 92 CO 0.66 -0.17 1.02 -0.44 -1.33 0.00 0.00 177.39 177.13 1qh3 s SER 93 N -2.08 5.85 0.14 -1.43 0.01 -0.69 -4.66 113.70 110.84 1qh3 s SER 93 Ca 0.00 2.81 0.09 0.00 1.31 0.00 0.00 55.95 60.16 1qh3 s SER 93 Cb 0.00 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 1qh3 s SER 93 CO 0.00 -1.18 -0.21 0.42 0.41 0.00 0.00 173.24 172.67 1qh3 s THR 94 N -1.25 1.91 0.30 1.44 -4.23 -1.26 -0.19 115.64 112.36 1qh3 s THR 94 Ca 0.62 -1.75 -0.16 0.00 -1.18 0.00 0.00 61.69 59.23 1qh3 s THR 94 Cb -0.41 -1.78 0.02 0.00 1.34 0.00 0.00 72.50 71.66 1qh3 s THR 94 CO 0.52 -0.12 0.64 -1.48 -0.54 0.00 0.00 174.62 173.64 1qh3 s LEU 95 N -2.26 0.09 0.05 4.79 2.34 -0.39 -5.01 118.68 118.29 1qh3 s LEU 95 Ca 0.12 -0.91 0.07 0.00 0.06 0.00 0.00 54.13 53.47 1qh3 s LEU 95 Cb -0.08 2.35 -0.03 0.00 -0.56 0.00 0.00 46.19 47.87 1qh3 s LEU 95 CO 0.06 -1.36 -0.19 -1.10 -1.06 0.00 0.00 176.35 172.70 1qh3 s GLN 96 N -3.51 1.27 -0.38 1.48 -0.21 -1.26 -0.35 119.66 116.70 1qh3 s GLN 96 Ca 0.17 -0.92 0.04 0.00 0.02 0.00 0.00 55.36 54.67 1qh3 s GLN 96 Cb -0.04 -1.37 0.11 0.00 1.00 0.00 0.00 33.01 32.71 1qh3 s GLN 96 CO 0.10 0.35 0.11 0.08 -2.12 0.00 0.00 175.29 173.80 1qh3 s VAL 97 N -0.84 2.20 0.00 1.09 1.01 -0.50 -4.98 120.40 118.37 1qh3 s VAL 97 Ca 0.06 -2.48 0.00 0.00 0.00 0.00 0.00 61.98 59.56 1qh3 s VAL 97 Cb -0.09 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.69 1qh3 s VAL 97 CO 0.02 -0.66 0.00 0.61 0.00 0.00 0.00 175.10 175.07 1qh3 n GLY 98 N 4.03 3.69 0.03 4.51 0.00 -1.26 -0.14 105.19 116.05 1qh3 n GLY 98 Ca 0.04 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1qh3 n GLY 98 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qh3 n SER 99 N 5.87 0.26 -4.78 1.61 7.64 -1.26 -4.88 113.62 118.08 1qh3 n SER 99 Ca 0.00 0.53 -0.37 0.00 1.01 0.00 0.00 58.87 60.04 1qh3 n SER 99 Cb 0.00 -0.60 -0.05 0.00 -1.01 0.00 0.00 64.21 62.55 1qh3 n SER 99 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1qh3 s LEU 100 N -3.50 4.29 -0.13 -3.43 1.43 0.80 -4.68 118.68 113.45 1qh3 s LEU 100 Ca 0.12 1.94 -0.08 0.00 -1.03 0.00 0.00 54.13 55.08 1qh3 s LEU 100 Cb 0.16 -4.04 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 1qh3 s LEU 100 CO 0.53 -0.22 0.16 0.20 0.23 0.00 0.00 176.35 177.25 1qh3 s ASN 101 N -1.54 6.37 -0.06 2.29 0.02 -0.32 -1.41 114.94 120.28 1qh3 s ASN 101 Ca 0.52 0.44 0.03 0.00 -1.02 0.00 0.00 52.86 52.84 1qh3 s ASN 101 Cb -0.21 -2.09 0.00 0.00 0.02 0.00 0.00 41.25 38.98 1qh3 s ASN 101 CO 0.26 0.34 -0.16 -0.69 0.02 0.00 0.00 177.10 176.88 1qh3 s VAL 102 N -0.67 1.42 -0.12 1.60 1.01 0.53 -1.44 120.40 122.72 1qh3 s VAL 102 Ca 0.14 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1qh3 s VAL 102 Cb -0.12 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1qh3 s VAL 102 CO 0.03 0.41 -0.19 -0.75 0.00 0.00 0.00 175.10 174.61 1qh3 s LYS 103 N 0.38 2.61 -0.04 2.72 2.20 0.44 -1.27 119.74 126.79 1qh3 s LYS 103 Ca -0.12 -0.71 -0.21 0.00 -0.36 0.00 0.00 55.97 54.58 1qh3 s LYS 103 Cb -0.15 -2.14 -0.05 0.00 -1.51 0.00 0.00 37.83 33.99 1qh3 s LYS 103 CO 0.04 -0.02 0.61 0.00 -0.36 0.00 0.00 175.35 175.62 1qh3 s LEU 105 N 0.19 2.21 -0.07 0.00 1.43 0.10 -0.27 118.68 122.28 1qh3 s LEU 105 Ca 0.32 -0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 52.35 1qh3 s LEU 105 Cb -0.18 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 1qh3 s LEU 105 CO 0.17 -0.08 1.13 0.00 0.23 0.00 0.00 176.35 177.79 1qh3 s ALA 106 N 1.35 3.45 -0.48 4.21 0.00 -1.26 -0.85 121.76 128.19 1qh3 s ALA 106 Ca 0.01 0.55 0.08 0.00 0.00 0.00 0.00 51.96 52.60 1qh3 s ALA 106 Cb -0.15 -3.48 0.31 0.00 0.00 0.00 0.00 23.12 19.79 1qh3 s ALA 106 CO -0.10 -0.69 0.74 0.25 0.00 0.00 0.00 175.76 175.96 1qh3 n THR 107 N 4.56 1.04 -1.93 0.00 -2.24 -0.91 -4.95 114.28 109.85 1qh3 n THR 107 Ca 0.10 -4.84 -0.41 0.00 -2.27 0.00 0.00 64.05 56.63 1qh3 n THR 107 Cb 0.47 -1.30 -0.01 0.00 -2.10 0.00 0.00 70.33 67.38 1qh3 n THR 107 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1qh3 s PRO 108 N -2.43 4.22 0.00 -0.78 0.04 -1.26 -4.57 135.00 130.22 1qh3 s PRO 108 Ca 0.41 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.86 1qh3 s PRO 108 Cb 0.25 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1qh3 s PRO 108 CO -0.09 -0.44 0.00 0.00 0.04 0.00 0.00 177.00 176.51 1qh3 h HIS 110 N 0.00 0.08 -3.86 0.00 -0.00 -1.81 -0.97 115.15 108.58 1qh3 h HIS 110 Ca 0.00 0.04 -0.25 0.00 -0.00 0.00 0.00 60.37 60.16 1qh3 h HIS 110 Cb 0.00 0.05 -0.17 0.00 -0.00 0.00 0.00 27.41 27.29 1qh3 h HIS 110 CO 0.00 -0.09 -0.71 0.95 -0.00 0.00 0.00 177.93 178.08 1qh3 s THR 111 N -6.13 0.66 0.32 6.26 -4.23 -1.26 -2.88 115.64 108.37 1qh3 s THR 111 Ca -0.13 -1.62 0.17 0.00 -1.18 0.00 0.00 61.69 58.92 1qh3 s THR 111 Cb 0.18 -1.29 0.13 0.00 1.34 0.00 0.00 72.50 72.86 1qh3 s THR 111 CO 0.73 -0.68 1.84 0.77 -0.54 0.00 0.00 174.62 176.74 1qh3 h SER 112 N 3.53 0.00 -0.46 3.99 4.64 -1.79 -3.14 113.55 120.32 1qh3 h SER 112 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1qh3 h SER 112 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1qh3 h SER 112 CO 0.56 0.34 0.00 0.61 -0.87 0.00 0.00 176.83 177.47 1qh3 n GLY 113 N -0.30 3.32 3.76 -0.77 0.00 -1.26 -4.51 105.19 105.43 1qh3 n GLY 113 Ca -0.01 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 1qh3 n GLY 113 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qh3 s HIS 114 N -2.53 2.78 -0.03 1.61 5.65 -1.19 -3.96 115.29 117.63 1qh3 s HIS 114 Ca 0.48 0.97 0.03 0.00 0.25 0.00 0.00 55.06 56.78 1qh3 s HIS 114 Cb 0.36 -3.99 0.00 0.00 -1.18 0.00 0.00 32.58 27.77 1qh3 s HIS 114 CO 0.15 -3.15 -0.12 0.42 -0.65 0.00 0.00 174.74 171.39 1qh3 s ILE 115 N -0.36 1.01 -0.12 0.89 -1.09 0.68 -2.13 121.20 120.08 1qh3 s ILE 115 Ca 0.59 -0.48 -0.06 0.00 -2.23 0.00 0.00 60.65 58.47 1qh3 s ILE 115 Cb -0.46 -0.89 -0.04 0.00 -1.58 0.00 0.00 42.46 39.50 1qh3 s ILE 115 CO 0.51 0.31 0.11 0.00 -1.23 0.00 0.00 174.94 174.64 1qh3 s TYR 117 N -0.92 3.04 -0.35 0.00 2.02 -0.59 -0.72 117.35 119.83 1qh3 s TYR 117 Ca 0.14 -0.92 -0.15 0.00 -0.37 0.00 0.00 57.07 55.77 1qh3 s TYR 117 Cb -0.12 -2.16 -0.01 0.00 -0.40 0.00 0.00 41.96 39.27 1qh3 s TYR 117 CO 0.03 -0.54 0.36 0.12 -1.57 0.00 0.00 175.55 173.96 1qh3 s PHE 118 N 1.49 3.21 -0.11 2.71 5.36 0.65 -1.22 117.98 130.08 1qh3 s PHE 118 Ca 0.05 -0.06 0.00 0.00 -0.96 0.00 0.00 56.93 55.96 1qh3 s PHE 118 Cb -0.15 -2.68 -0.02 0.00 -0.34 0.00 0.00 43.02 39.83 1qh3 s PHE 118 CO -0.01 -0.45 -0.10 0.08 -1.46 0.00 0.00 175.22 173.29 1qh3 s VAL 119 N 2.01 3.39 0.06 3.12 1.01 0.14 -0.42 120.40 129.72 1qh3 s VAL 119 Ca 0.12 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 1qh3 s VAL 119 Cb -0.17 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1qh3 s VAL 119 CO 0.12 0.55 0.15 -0.94 0.00 0.00 0.00 175.10 174.97 1qh3 s SER 120 N -0.13 0.16 -0.17 3.32 1.04 -0.52 -0.92 113.70 116.47 1qh3 s SER 120 Ca 0.00 -0.61 -0.02 0.00 0.48 0.00 0.00 55.95 55.81 1qh3 s SER 120 Cb -0.13 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.27 1qh3 s SER 120 CO 0.03 -0.63 -0.09 -0.75 0.98 0.00 0.00 173.24 172.77 1qh3 s LYS 121 N -3.34 3.39 0.45 4.02 2.20 -1.26 -1.18 119.74 124.02 1qh3 s LYS 121 Ca 0.01 -0.65 -0.23 0.00 -0.36 0.00 0.00 55.97 54.74 1qh3 s LYS 121 Cb 0.03 -2.78 -0.10 0.00 -1.51 0.00 0.00 37.83 33.46 1qh3 s LYS 121 CO -0.08 0.06 0.90 -2.30 -0.36 0.00 0.00 175.35 173.57 1qh3 n PRO 122 N 4.00 1.11 -3.00 4.03 -0.02 -1.26 -3.21 135.00 136.65 1qh3 n PRO 122 Ca -0.18 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.60 1qh3 n PRO 122 Cb 0.52 -1.94 0.05 0.00 -0.02 0.00 0.00 33.50 32.11 1qh3 n PRO 122 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qh3 n GLY 123 N 1.33 -0.95 1.76 -1.23 0.00 -1.26 -4.58 105.19 100.27 1qh3 n GLY 123 Ca 0.10 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1qh3 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qh3 n GLY 124 N -1.34 0.00 0.66 -0.02 0.00 -1.20 -4.66 105.19 98.63 1qh3 n GLY 124 Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.04 1qh3 n GLY 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qh3 n SER 125 N 2.32 1.93 -3.49 1.61 3.41 -1.26 -4.86 113.62 113.28 1qh3 n SER 125 Ca 0.00 -1.97 -0.11 0.00 -0.26 0.00 0.00 58.87 56.53 1qh3 n SER 125 Cb 0.21 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 1qh3 n SER 125 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1qh3 s GLU 126 N -1.54 0.96 0.51 4.33 -1.05 -1.26 -5.14 118.70 115.50 1qh3 s GLU 126 Ca 0.25 -0.18 -0.21 0.00 -0.15 0.00 0.00 54.97 54.68 1qh3 s GLU 126 Cb 0.13 0.45 -0.06 0.00 -0.44 0.00 0.00 34.13 34.21 1qh3 s GLU 126 CO 0.18 -0.39 1.18 -2.14 0.95 0.00 0.00 175.26 175.05 1qh3 s PRO 127 N -2.65 3.48 0.97 -4.83 0.02 -1.26 -4.82 135.00 125.92 1qh3 s PRO 127 Ca -0.00 1.80 -0.15 0.00 0.02 0.00 0.00 61.00 62.66 1qh3 s PRO 127 Cb -0.01 -2.23 0.18 0.00 0.02 0.00 0.00 34.50 32.47 1qh3 s PRO 127 CO -0.05 -0.78 1.22 -1.25 -0.33 0.00 0.00 177.00 175.80 1qh3 s PRO 128 N -2.95 0.60 0.02 5.54 0.04 -1.26 -4.87 135.00 132.13 1qh3 s PRO 128 Ca 0.69 -0.10 0.02 0.00 0.04 0.00 0.00 61.00 61.65 1qh3 s PRO 128 Cb -0.29 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1qh3 s PRO 128 CO 0.34 -2.49 -0.08 0.00 0.04 0.00 0.00 177.00 174.82 1qh3 s ALA 129 N -3.53 0.61 -0.09 8.56 0.00 -0.10 -1.24 121.76 125.98 1qh3 s ALA 129 Ca 0.69 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1qh3 s ALA 129 Cb -0.09 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.01 1qh3 s ALA 129 CO 0.53 0.06 -0.08 0.54 0.00 0.00 0.00 175.76 176.81 1qh3 s VAL 130 N -0.85 0.97 -0.48 0.00 0.11 0.19 0.26 120.40 120.60 1qh3 s VAL 130 Ca -0.04 -0.30 -0.18 0.00 -2.93 0.00 0.00 61.98 58.53 1qh3 s VAL 130 Cb -0.07 -0.96 0.05 0.00 -1.53 0.00 0.00 36.38 33.88 1qh3 s VAL 130 CO 0.00 0.34 0.53 -0.36 -3.33 0.00 0.00 175.10 172.28 1qh3 s PHE 131 N 1.32 3.13 -2.07 1.54 0.08 -0.35 -1.40 117.98 120.23 1qh3 s PHE 131 Ca -0.03 -0.61 0.21 0.00 0.12 0.00 0.00 56.93 56.63 1qh3 s PHE 131 Cb -0.14 -3.31 0.48 0.00 -0.57 0.00 0.00 43.02 39.48 1qh3 s PHE 131 CO -0.04 -0.90 1.41 0.25 -0.10 0.00 0.00 175.22 175.84 1qh3 n THR 132 N 5.47 0.72 -0.01 0.64 -2.24 -0.85 -1.54 114.28 116.47 1qh3 n THR 132 Ca -0.08 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 1qh3 n THR 132 Cb 0.45 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 1qh3 n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qh3 n GLY 133 N 1.41 3.00 1.56 3.38 0.00 -1.26 -1.23 105.19 112.04 1qh3 n GLY 133 Ca 0.20 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.20 1qh3 n GLY 133 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qh3 n ASP 134 N 2.67 4.49 -0.06 1.61 9.92 -1.26 0.11 116.55 134.04 1qh3 n ASP 134 Ca 0.00 -3.16 -0.04 0.00 -0.53 0.00 0.00 54.79 51.05 1qh3 n ASP 134 Cb 0.00 -0.66 -0.01 0.00 -0.64 0.00 0.00 41.12 39.80 1qh3 n ASP 134 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1qh3 n THR 135 N -0.21 1.18 -4.00 -3.53 -1.04 -0.37 -1.82 114.28 104.48 1qh3 n THR 135 Ca 0.32 0.26 -0.35 0.00 -2.04 0.00 0.00 64.05 62.24 1qh3 n THR 135 Cb 1.17 -2.24 -0.13 0.00 -1.82 0.00 0.00 70.33 67.31 1qh3 n THR 135 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1qh3 s LEU 136 N -7.58 3.16 0.41 -4.42 2.96 -1.23 -2.44 118.68 109.55 1qh3 s LEU 136 Ca -0.13 -0.26 0.08 0.00 -0.22 0.00 0.00 54.13 53.59 1qh3 s LEU 136 Cb 0.02 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1qh3 s LEU 136 CO 0.19 0.03 0.35 -0.36 -1.32 0.00 0.00 176.35 175.24 1qh3 s PHE 137 N 1.20 2.70 -0.25 5.38 0.08 -0.45 -4.61 117.98 122.03 1qh3 s PHE 137 Ca 0.03 -0.50 -0.29 0.00 0.12 0.00 0.00 56.93 56.29 1qh3 s PHE 137 Cb -0.15 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.15 1qh3 s PHE 137 CO 0.01 -0.07 1.67 0.08 -0.10 0.00 0.00 175.22 176.80 1qh3 s VAL 138 N -2.49 3.63 -0.78 -0.44 1.01 -1.26 -2.16 120.40 117.91 1qh3 s VAL 138 Ca 0.47 0.69 0.00 0.00 0.00 0.00 0.00 61.98 63.14 1qh3 s VAL 138 Cb -0.02 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1qh3 s VAL 138 CO 0.27 -0.33 0.00 0.00 0.00 0.00 0.00 175.10 175.04 1qh3 n ALA 139 N 8.92 -0.11 -3.00 5.51 0.00 -1.26 -4.40 120.51 126.17 1qh3 n ALA 139 Ca 0.20 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1qh3 n ALA 139 Cb 0.46 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1qh3 n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qh3 n GLY 140 N -1.18 3.25 3.73 0.00 0.00 -0.92 -4.46 105.19 105.61 1qh3 n GLY 140 Ca -0.07 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.69 1qh3 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qh3 s GLY 142 N -2.95 1.70 0.62 0.00 0.00 -0.76 -4.85 107.32 101.08 1qh3 s GLY 142 Ca 0.14 -0.15 -0.18 0.00 0.00 0.00 0.00 44.72 44.54 1qh3 s GLY 142 CO 0.06 0.09 1.19 0.54 0.00 0.00 0.00 173.10 174.98 1qh3 s LYS 143 N -4.86 2.84 -1.38 2.90 1.02 -1.26 -4.85 119.74 114.14 1qh3 s LYS 143 Ca 0.54 1.74 -0.07 0.00 0.02 0.00 0.00 55.97 58.20 1qh3 s LYS 143 Cb -0.11 -1.92 0.08 0.00 -0.52 0.00 0.00 37.83 35.36 1qh3 s LYS 143 CO 0.48 -1.29 2.44 1.19 -0.92 0.00 0.00 175.35 177.24 1qh3 n PHE 144 N -1.87 2.63 -0.14 3.18 3.72 -1.26 -4.15 117.46 119.57 1qh3 n PHE 144 Ca 0.13 -2.88 -0.01 0.00 -0.05 0.00 0.00 57.45 54.64 1qh3 n PHE 144 Cb 0.50 -2.00 0.23 0.00 -0.94 0.00 0.00 39.48 37.27 1qh3 n PHE 144 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 1qh3 h TYR 145 N 4.86 0.84 0.00 1.38 0.05 -1.68 -3.26 116.97 119.15 1qh3 h TYR 145 Ca 0.70 -0.04 -0.04 0.00 0.05 0.00 0.00 58.73 59.40 1qh3 h TYR 145 Cb 0.35 -0.26 -0.09 0.00 1.01 0.00 0.00 36.73 37.74 1qh3 h TYR 145 CO 1.62 0.64 -0.54 0.39 -1.05 0.00 0.00 178.16 179.22 1qh3 n GLU 146 N -4.33 1.06 -1.30 4.88 1.02 -0.69 -5.02 120.64 116.26 1qh3 n GLU 146 Ca 0.05 -2.72 -0.00 0.00 -0.02 0.00 0.00 57.16 54.47 1qh3 n GLU 146 Cb 0.16 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1qh3 n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qh3 n GLY 147 N -0.73 1.66 3.67 0.62 0.00 -0.46 -4.42 105.19 105.55 1qh3 n GLY 147 Ca 0.14 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 1qh3 n GLY 147 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qh3 s THR 148 N -2.79 1.92 0.32 2.61 -4.23 -1.26 -4.86 115.64 107.35 1qh3 s THR 148 Ca 0.01 -1.92 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 1qh3 s THR 148 Cb -0.00 -2.85 0.16 0.00 1.34 0.00 0.00 72.50 71.16 1qh3 s THR 148 CO 0.00 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 175.95 1qh3 h ALA 149 N 1.61 1.33 -0.69 3.99 0.00 -1.95 -1.57 119.26 121.98 1qh3 h ALA 149 Ca -0.44 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.32 1qh3 h ALA 149 Cb 1.26 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1qh3 h ALA 149 CO 0.77 0.47 0.42 0.22 0.00 0.00 0.00 179.25 181.13 1qh3 h ASP 150 N 0.62 0.69 -0.57 0.00 3.58 -1.96 0.42 116.42 119.20 1qh3 h ASP 150 Ca 0.14 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.54 1qh3 h ASP 150 Cb 0.29 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 1qh3 h ASP 150 CO 0.00 0.47 0.17 -0.33 -2.88 0.00 0.00 179.24 176.67 1qh3 h GLU 151 N 0.82 0.89 -0.16 0.28 5.08 -1.64 -1.01 114.58 118.84 1qh3 h GLU 151 Ca 0.28 -0.20 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1qh3 h GLU 151 Cb 0.05 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1qh3 h GLU 151 CO -0.12 0.81 -0.44 1.98 -1.00 0.00 0.00 179.01 180.25 1qh3 h MET 152 N 0.80 0.40 -0.28 2.33 4.05 -0.94 -1.10 114.93 120.19 1qh3 h MET 152 Ca 0.18 -0.21 0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1qh3 h MET 152 Cb 0.30 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 1qh3 h MET 152 CO -0.00 0.76 0.17 0.00 0.23 0.00 0.00 176.91 178.06 1qh3 h LYS 154 N 0.34 0.31 -0.46 0.00 1.57 -1.02 -0.09 116.57 117.22 1qh3 h LYS 154 Ca 0.11 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1qh3 h LYS 154 Cb -0.01 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 1qh3 h LYS 154 CO -0.04 0.43 0.19 0.00 -0.57 0.00 0.00 179.45 179.46 1qh3 h ALA 155 N 0.86 0.57 0.14 3.86 0.00 -0.99 0.16 119.26 123.86 1qh3 h ALA 155 Ca 0.06 0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 1qh3 h ALA 155 Cb 0.26 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.06 1qh3 h ALA 155 CO 0.00 -0.18 -0.84 -0.07 0.00 0.00 0.00 179.25 178.16 1qh3 h LEU 156 N 0.39 0.49 0.05 0.00 3.38 -0.80 0.08 115.31 118.90 1qh3 h LEU 156 Ca 0.21 -0.95 -0.31 0.00 0.09 0.00 0.00 57.88 56.92 1qh3 h LEU 156 Cb 0.17 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1qh3 h LEU 156 CO -0.19 1.40 -1.77 -0.07 0.09 0.00 0.00 178.44 177.91 1qh3 h LEU 157 N -0.34 0.17 0.00 1.67 3.38 -1.06 0.15 115.31 119.28 1qh3 h LEU 157 Ca -0.15 -0.35 -0.43 0.00 0.09 0.00 0.00 57.88 57.04 1qh3 h LEU 157 Cb 1.66 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 42.29 1qh3 h LEU 157 CO 0.16 1.31 -2.48 -0.62 0.09 0.00 0.00 178.44 176.90 1qh3 n GLU 158 N -3.23 0.62 -0.04 1.13 1.02 -0.38 -3.74 120.64 116.02 1qh3 n GLU 158 Ca -0.21 0.22 -0.03 0.00 -0.02 0.00 0.00 57.16 57.12 1qh3 n GLU 158 Cb 1.05 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.93 1qh3 n GLU 158 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1qh3 h VAL 159 N -0.57 0.31 0.19 2.62 2.07 -1.03 -3.25 116.25 116.58 1qh3 h VAL 159 Ca -0.64 -1.21 -0.31 0.00 0.82 0.00 0.00 66.70 65.36 1qh3 h VAL 159 Cb 1.73 0.59 0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1qh3 h VAL 159 CO -0.28 0.10 -1.36 -0.07 0.02 0.00 0.00 177.57 175.98 1qh3 h LEU 160 N -1.00 0.75 -2.35 2.57 3.38 -1.12 -3.34 115.31 114.20 1qh3 h LEU 160 Ca -0.00 -0.77 0.03 0.00 0.09 0.00 0.00 57.88 57.22 1qh3 h LEU 160 Cb 0.19 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1qh3 h LEU 160 CO 0.00 1.60 0.11 1.23 0.09 0.00 0.00 178.44 181.48 1qh3 h GLY 161 N 0.55 0.00 -1.95 0.83 0.00 -1.04 -1.91 103.07 99.55 1qh3 h GLY 161 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1qh3 h GLY 161 CO 0.25 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.33 1qh3 n ARG 162 N -3.77 2.30 -1.66 4.80 1.74 -1.23 -4.92 116.66 113.92 1qh3 n ARG 162 Ca -0.01 -1.98 -0.30 0.00 -0.77 0.00 0.00 57.85 54.79 1qh3 n ARG 162 Cb 0.21 -1.47 0.08 0.00 -1.02 0.00 0.00 32.46 30.26 1qh3 n ARG 162 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1qh3 s LEU 163 N -1.37 2.65 0.24 0.55 1.43 -0.72 -4.95 118.68 116.52 1qh3 s LEU 163 Ca 0.38 1.22 -0.31 0.00 -1.03 0.00 0.00 54.13 54.38 1qh3 s LEU 163 Cb 0.21 -3.86 -0.14 0.00 0.03 0.00 0.00 46.19 42.43 1qh3 s LEU 163 CO 0.29 -1.81 1.34 -2.65 0.23 0.00 0.00 176.35 173.75 1qh3 n PRO 164 N -3.32 1.89 0.09 1.29 -0.02 -1.26 -4.85 135.00 128.82 1qh3 n PRO 164 Ca 0.07 0.67 0.19 0.00 -2.02 0.00 0.00 63.50 62.41 1qh3 n PRO 164 Cb 0.57 -2.28 0.74 0.00 -0.02 0.00 0.00 33.50 32.51 1qh3 n PRO 164 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1qh3 h PRO 165 N 3.84 0.00 -0.01 0.52 0.13 -1.92 -0.88 132.00 133.68 1qh3 h PRO 165 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1qh3 h PRO 165 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1qh3 h PRO 165 CO 0.73 0.00 -0.01 -0.40 -0.23 0.00 0.00 178.00 178.09 1qh3 n ASP 166 N -4.05 1.02 -4.66 1.44 5.75 -1.26 -1.63 116.55 113.16 1qh3 n ASP 166 Ca 0.06 -1.32 -0.46 0.00 -0.01 0.00 0.00 54.79 53.07 1qh3 n ASP 166 Cb 0.51 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.57 1qh3 n ASP 166 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1qh3 n THR 167 N -0.22 0.59 -2.67 2.12 -1.04 -0.34 -4.63 114.28 108.10 1qh3 n THR 167 Ca 0.20 -0.15 -0.41 0.00 -2.04 0.00 0.00 64.05 61.66 1qh3 n THR 167 Cb 0.28 -1.46 -0.05 0.00 -1.82 0.00 0.00 70.33 67.29 1qh3 n THR 167 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1qh3 s ARG 168 N 0.07 4.71 -0.29 -2.82 3.00 -0.37 -2.11 118.95 121.14 1qh3 s ARG 168 Ca 0.72 1.55 -0.09 0.00 0.00 0.00 0.00 55.73 57.91 1qh3 s ARG 168 Cb -0.68 -3.32 -0.02 0.00 0.00 0.00 0.00 34.95 30.94 1qh3 s ARG 168 CO 0.46 0.26 0.12 0.08 0.00 0.00 0.00 175.30 176.22 1qh3 s VAL 169 N -0.43 4.53 -0.43 3.52 1.01 0.10 -0.63 120.40 128.06 1qh3 s VAL 169 Ca 0.46 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1qh3 s VAL 169 Cb -0.26 -3.24 0.12 0.00 0.00 0.00 0.00 36.38 33.00 1qh3 s VAL 169 CO 0.32 0.17 0.17 -0.31 0.00 0.00 0.00 175.10 175.46 1qh3 s TYR 170 N 1.62 3.53 0.59 5.22 2.02 -0.49 -2.38 117.35 127.46 1qh3 s TYR 170 Ca 0.05 -2.94 0.01 0.00 -0.37 0.00 0.00 57.07 53.82 1qh3 s TYR 170 Cb -0.16 -2.97 0.05 0.00 -0.40 0.00 0.00 41.96 38.47 1qh3 s TYR 170 CO 0.06 -0.88 0.82 0.00 -1.57 0.00 0.00 175.55 173.98 1qh3 h GLY 172 N -0.06 0.01 -2.83 0.00 0.00 -0.59 -3.43 103.07 96.17 1qh3 h GLY 172 Ca -0.41 -0.01 -0.25 0.00 0.00 0.00 0.00 47.33 46.65 1qh3 h GLY 172 CO 0.51 0.01 -0.67 0.30 0.00 0.00 0.00 176.54 176.69 1qh3 s HIS 173 N -3.84 1.06 -1.18 5.60 3.76 -1.26 -0.71 115.29 118.72 1qh3 s HIS 173 Ca -0.02 -1.02 -0.12 0.00 -0.15 0.00 0.00 55.06 53.76 1qh3 s HIS 173 Cb 0.13 -0.61 0.21 0.00 1.11 0.00 0.00 32.58 33.43 1qh3 s HIS 173 CO 0.75 -0.24 1.35 -1.91 -0.85 0.00 0.00 174.74 173.84 1qh3 n GLU 174 N -0.16 3.48 -0.09 1.40 4.07 0.45 -4.69 120.64 125.10 1qh3 n GLU 174 Ca -0.08 -4.07 0.03 0.00 -0.06 0.00 0.00 57.16 52.98 1qh3 n GLU 174 Cb 0.62 -2.85 0.08 0.00 -0.06 0.00 0.00 31.44 29.24 1qh3 n GLU 174 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1qh3 n TYR 175 N 4.38 0.20 0.02 4.31 4.01 -1.26 -4.88 117.16 123.95 1qh3 n TYR 175 Ca 0.32 -0.57 -0.10 0.00 -0.16 0.00 0.00 57.90 57.39 1qh3 n TYR 175 Cb 0.41 -0.07 -0.04 0.00 -0.31 0.00 0.00 39.34 39.33 1qh3 n TYR 175 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1qh3 h THR 176 N 0.76 0.64 -0.32 -0.72 2.02 -1.84 -0.19 112.91 113.27 1qh3 h THR 176 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1qh3 h THR 176 Cb 0.67 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 1qh3 h THR 176 CO 0.01 0.00 0.03 0.40 0.37 0.00 0.00 175.52 176.34 1qh3 h ILE 177 N -0.19 0.81 -0.31 3.11 2.04 -1.90 -0.42 117.51 120.64 1qh3 h ILE 177 Ca 0.07 -0.05 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 1qh3 h ILE 177 Cb 0.29 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1qh3 h ILE 177 CO -0.19 0.03 -0.23 0.78 0.00 0.00 0.00 178.15 178.54 1qh3 h ASN 178 N 0.14 0.60 -0.32 1.72 -0.26 -1.90 -1.20 115.58 114.36 1qh3 h ASN 178 Ca 0.15 -0.20 -0.00 0.00 -0.56 0.00 0.00 56.30 55.69 1qh3 h ASN 178 Cb 0.19 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 1qh3 h ASN 178 CO -0.23 0.82 0.18 0.78 -1.06 0.00 0.00 177.43 177.93 1qh3 h ASN 179 N 0.53 0.39 0.51 5.81 2.35 -0.61 -1.70 115.58 122.85 1qh3 h ASN 179 Ca 0.08 -0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.67 1qh3 h ASN 179 Cb 0.68 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1qh3 h ASN 179 CO 0.05 0.34 -0.41 -0.07 -1.65 0.00 0.00 177.43 175.69 1qh3 h LEU 180 N 0.40 0.00 -0.55 1.61 3.38 -0.83 0.18 115.31 119.49 1qh3 h LEU 180 Ca 0.11 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1qh3 h LEU 180 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1qh3 h LEU 180 CO -0.02 0.41 -0.08 0.11 0.09 0.00 0.00 178.44 178.95 1qh3 h LYS 181 N 0.00 1.03 -0.46 1.13 1.57 -0.84 0.16 116.57 119.17 1qh3 h LYS 181 Ca -0.00 -0.37 -0.11 0.00 -1.87 0.00 0.00 60.65 58.29 1qh3 h LYS 181 Cb 0.78 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1qh3 h LYS 181 CO 0.05 1.06 -0.15 0.35 -0.57 0.00 0.00 179.45 180.19 1qh3 h PHE 182 N 0.91 1.04 -0.80 -1.35 3.57 -1.04 -2.72 116.94 116.56 1qh3 h PHE 182 Ca 0.15 -0.24 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1qh3 h PHE 182 Cb 0.65 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 1qh3 h PHE 182 CO 0.05 1.02 0.50 0.00 -2.23 0.00 0.00 178.31 177.65 1qh3 h ALA 183 N 0.86 1.01 -0.88 2.41 0.00 -0.72 -1.78 119.26 120.18 1qh3 h ALA 183 Ca 0.11 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1qh3 h ALA 183 Cb 0.71 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1qh3 h ALA 183 CO 0.05 0.46 0.57 -0.09 0.00 0.00 0.00 179.25 180.25 1qh3 h ARG 184 N 1.09 1.02 -0.30 0.00 2.43 -0.54 -0.34 114.38 117.74 1qh3 h ARG 184 Ca 0.29 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.28 1qh3 h ARG 184 Cb -0.07 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.24 1qh3 h ARG 184 CO -0.06 0.68 -0.30 1.25 -1.51 0.00 0.00 179.97 180.03 1qh3 h HIS 185 N 1.05 0.73 -0.31 2.20 2.76 -1.03 -1.37 115.15 119.18 1qh3 h HIS 185 Ca 0.36 -0.18 -0.15 0.00 -2.20 0.00 0.00 60.37 58.20 1qh3 h HIS 185 Cb 0.09 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 28.88 1qh3 h HIS 185 CO -0.00 0.86 -0.40 0.28 -1.30 0.00 0.00 177.93 177.37 1qh3 h VAL 186 N 0.54 1.29 -2.70 5.26 2.07 -0.65 -3.39 116.25 118.68 1qh3 h VAL 186 Ca 0.07 -1.58 -0.60 0.00 0.82 0.00 0.00 66.70 65.41 1qh3 h VAL 186 Cb 0.79 1.55 -0.40 0.00 -1.52 0.00 0.00 31.29 31.71 1qh3 h VAL 186 CO 0.06 0.51 -0.80 -1.61 0.02 0.00 0.00 177.57 175.76 1qh3 s GLU 187 N -4.28 1.52 0.55 1.57 2.02 -0.22 -4.76 118.70 115.09 1qh3 s GLU 187 Ca -0.12 -2.55 0.36 0.00 0.02 0.00 0.00 54.97 52.69 1qh3 s GLU 187 Cb 0.10 -2.25 1.83 0.00 0.10 0.00 0.00 34.13 33.91 1qh3 s GLU 187 CO 0.86 -1.33 2.10 -1.00 0.02 0.00 0.00 175.26 175.92 1qh3 h PRO 188 N 5.68 0.00 -0.09 0.39 0.13 -1.45 -2.45 132.00 134.22 1qh3 h PRO 188 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1qh3 h PRO 188 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1qh3 h PRO 188 CO 0.51 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.69 1qh3 n GLY 189 N -0.73 0.78 3.59 1.56 0.00 -1.26 -4.91 105.19 104.23 1qh3 n GLY 189 Ca -0.01 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 1qh3 n GLY 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qh3 s ASN 190 N -1.90 6.63 0.25 1.61 3.84 -0.92 -4.91 114.94 119.54 1qh3 s ASN 190 Ca 0.33 0.44 0.07 0.00 0.21 0.00 0.00 52.86 53.91 1qh3 s ASN 190 Cb 0.20 -2.51 0.30 0.00 -0.55 0.00 0.00 41.25 38.70 1qh3 s ASN 190 CO 0.31 -1.09 1.59 0.00 -2.79 0.00 0.00 177.10 175.11 1qh3 h ALA 191 N 8.95 0.91 -0.50 1.71 0.00 -1.90 -2.93 119.26 125.50 1qh3 h ALA 191 Ca -0.23 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.17 1qh3 h ALA 191 Cb 1.07 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1qh3 h ALA 191 CO 1.07 0.73 0.33 0.00 0.00 0.00 0.00 179.25 181.38 1qh3 h ALA 192 N 1.27 1.77 0.02 0.00 0.00 -1.91 -0.36 119.26 120.06 1qh3 h ALA 192 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1qh3 h ALA 192 Cb 1.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1qh3 h ALA 192 CO 0.09 0.17 -0.01 0.82 0.00 0.00 0.00 179.25 180.32 1qh3 h ILE 193 N 0.55 1.32 -0.18 0.00 2.04 -1.78 -1.25 117.51 118.22 1qh3 h ILE 193 Ca 0.20 -1.08 -0.08 0.00 1.00 0.00 0.00 64.86 64.90 1qh3 h ILE 193 Cb 0.11 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1qh3 h ILE 193 CO -0.05 0.28 -0.24 0.08 0.00 0.00 0.00 178.15 178.22 1qh3 h ARG 194 N -0.50 0.33 -0.39 2.37 0.11 -1.41 0.83 114.38 115.72 1qh3 h ARG 194 Ca -0.00 -0.11 -0.11 0.00 0.10 0.00 0.00 59.98 59.86 1qh3 h ARG 194 Cb 0.47 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.52 1qh3 h ARG 194 CO 0.00 0.55 -0.18 0.93 0.10 0.00 0.00 179.97 181.38 1qh3 h GLU 195 N 0.30 0.81 -0.27 0.08 5.08 -1.07 -2.02 114.58 117.50 1qh3 h GLU 195 Ca 0.05 -0.35 -0.12 0.00 -1.00 0.00 0.00 59.36 57.93 1qh3 h GLU 195 Cb 0.59 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1qh3 h GLU 195 CO 0.04 0.98 -0.35 -0.22 -1.00 0.00 0.00 179.01 178.47 1qh3 h LYS 196 N 0.62 0.58 -0.28 2.33 1.63 -0.82 -2.28 116.57 118.35 1qh3 h LYS 196 Ca 0.09 -0.27 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 1qh3 h LYS 196 Cb 0.74 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.34 1qh3 h LYS 196 CO 0.06 0.85 0.13 1.25 -3.45 0.00 0.00 179.45 178.29 1qh3 h LEU 197 N 0.49 0.37 -0.73 5.20 5.85 -0.71 0.14 115.31 125.93 1qh3 h LEU 197 Ca 0.05 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.66 1qh3 h LEU 197 Cb 0.83 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1qh3 h LEU 197 CO 0.07 0.40 0.47 0.00 -0.34 0.00 0.00 178.44 179.04 1qh3 h ALA 198 N 0.99 0.94 -0.54 1.25 0.00 -1.21 -0.74 119.26 119.96 1qh3 h ALA 198 Ca 0.10 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1qh3 h ALA 198 Cb 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1qh3 h ALA 198 CO -0.01 0.29 0.03 2.35 0.00 0.00 0.00 179.25 181.92 1qh3 h TRP 199 N 0.94 1.00 -0.66 0.00 7.01 -1.20 -2.54 115.95 120.51 1qh3 h TRP 199 Ca 0.28 -0.16 -0.04 0.00 2.11 0.00 0.00 58.89 61.08 1qh3 h TRP 199 Cb -0.04 -0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 26.72 1qh3 h TRP 199 CO -0.03 0.91 0.27 0.00 -2.79 0.00 0.00 178.44 176.80 1qh3 h ALA 200 N 0.97 0.85 -0.97 2.65 0.00 -0.15 -0.54 119.26 122.08 1qh3 h ALA 200 Ca 0.16 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1qh3 h ALA 200 Cb 0.49 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1qh3 h ALA 200 CO 0.02 0.46 0.64 0.87 0.00 0.00 0.00 179.25 181.24 1qh3 h LYS 201 N 0.92 1.25 -0.36 0.00 1.57 -1.05 -0.66 116.57 118.26 1qh3 h LYS 201 Ca 0.22 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.78 1qh3 h LYS 201 Cb 0.20 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1qh3 h LYS 201 CO -0.02 0.83 -0.34 1.49 -0.57 0.00 0.00 179.45 180.84 1qh3 h GLU 202 N 1.29 0.86 -0.91 3.15 4.57 -1.01 -1.97 114.58 120.57 1qh3 h GLU 202 Ca 0.36 -0.45 0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1qh3 h GLU 202 Cb -0.12 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 1qh3 h GLU 202 CO -0.09 1.09 0.59 0.87 -1.18 0.00 0.00 179.01 180.30 1qh3 h LYS 203 N 0.66 1.21 -0.75 1.92 1.79 -0.61 -2.18 116.57 118.61 1qh3 h LYS 203 Ca 0.06 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1qh3 h LYS 203 Cb 0.93 -0.27 -0.04 0.00 -1.58 0.00 0.00 32.23 31.28 1qh3 h LYS 203 CO 0.09 0.81 0.45 -0.92 -1.08 0.00 0.00 179.45 178.80 1qh3 h TYR 204 N 1.24 0.98 -0.86 -1.35 3.20 -1.02 0.37 116.97 119.53 1qh3 h TYR 204 Ca 0.33 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 1qh3 h TYR 204 Cb -0.12 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 37.78 1qh3 h TYR 204 CO -0.01 0.66 0.53 1.03 -1.64 0.00 0.00 178.16 178.73 1qh3 h SER 205 N 1.02 1.01 -0.46 -2.11 0.87 -0.76 -2.75 113.55 110.37 1qh3 h SER 205 Ca 0.27 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1qh3 h SER 205 Cb -0.04 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.66 1qh3 h SER 205 CO -0.05 0.76 0.00 2.30 -0.53 0.00 0.00 176.83 179.31 1qh3 n ILE 206 N -4.38 0.60 -2.49 2.23 -5.35 -0.89 -4.95 119.36 104.14 1qh3 n ILE 206 Ca 0.09 -0.69 -0.10 0.00 -0.27 0.00 0.00 62.75 61.79 1qh3 n ILE 206 Cb 0.05 0.53 0.01 0.00 -1.74 0.00 0.00 39.64 38.49 1qh3 n ILE 206 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qh3 n GLY 207 N 1.39 0.11 3.54 3.28 0.00 -0.74 -5.03 105.19 107.73 1qh3 n GLY 207 Ca 0.19 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1qh3 n GLY 207 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qh3 s GLU 208 N -4.90 2.60 0.68 1.61 2.02 0.04 -5.02 118.70 115.73 1qh3 s GLU 208 Ca 0.10 -0.64 -0.16 0.00 0.02 0.00 0.00 54.97 54.29 1qh3 s GLU 208 Cb -0.04 -2.48 0.01 0.00 0.10 0.00 0.00 34.13 31.71 1qh3 s GLU 208 CO 0.13 0.64 1.18 -2.14 0.02 0.00 0.00 175.26 175.08 1qh3 s PRO 209 N -0.89 2.51 0.00 0.39 0.02 -1.26 -4.17 135.00 131.60 1qh3 s PRO 209 Ca 0.13 1.66 0.25 0.00 0.02 0.00 0.00 61.00 63.06 1qh3 s PRO 209 Cb -0.11 -1.89 0.82 0.00 0.02 0.00 0.00 34.50 33.34 1qh3 s PRO 209 CO 0.02 -1.53 1.60 0.25 -0.33 0.00 0.00 177.00 177.01 1qh3 n THR 210 N -2.39 0.11 -3.85 0.99 -2.24 -1.26 -4.85 114.28 100.80 1qh3 n THR 210 Ca 0.13 -0.34 -0.28 0.00 -2.27 0.00 0.00 64.05 61.28 1qh3 n THR 210 Cb 0.51 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 1qh3 n THR 210 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1qh3 s VAL 211 N -1.89 5.29 0.40 2.28 -7.23 -1.26 -4.26 120.40 113.74 1qh3 s VAL 211 Ca 0.35 -0.48 -0.02 0.00 -1.81 0.00 0.00 61.98 60.02 1qh3 s VAL 211 Cb 0.20 -3.71 -0.04 0.00 0.56 0.00 0.00 36.38 33.39 1qh3 s VAL 211 CO 0.30 -0.06 0.65 -2.16 -0.31 0.00 0.00 175.10 173.52 1qh3 s PRO 212 N -3.08 3.52 0.04 4.82 0.04 -1.26 -5.09 135.00 133.99 1qh3 s PRO 212 Ca 0.36 -0.09 0.01 0.00 0.04 0.00 0.00 61.00 61.31 1qh3 s PRO 212 Cb -0.11 -2.54 0.01 0.00 0.04 0.00 0.00 34.50 31.89 1qh3 s PRO 212 CO 0.28 0.00 0.05 -1.13 0.04 0.00 0.00 177.00 176.24 1qh3 n SER 213 N -1.95 0.46 -4.41 6.66 3.41 -1.00 -4.81 113.62 111.98 1qh3 n SER 213 Ca -0.02 -1.11 -0.22 0.00 -0.26 0.00 0.00 58.87 57.25 1qh3 n SER 213 Cb 0.56 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.38 1qh3 n SER 213 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1qh3 s THR 214 N 0.45 2.14 0.29 6.66 -4.23 -1.26 0.01 115.64 119.71 1qh3 s THR 214 Ca 0.04 -2.22 -0.02 0.00 -1.18 0.00 0.00 61.69 58.31 1qh3 s THR 214 Cb -0.00 -2.13 0.24 0.00 1.34 0.00 0.00 72.50 71.95 1qh3 s THR 214 CO 0.02 -0.40 1.94 -0.07 -0.54 0.00 0.00 174.62 175.57 1qh3 h LEU 215 N 2.64 0.91 -0.62 4.79 3.38 -1.36 -1.56 115.31 123.48 1qh3 h LEU 215 Ca -0.41 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.55 1qh3 h LEU 215 Cb 1.23 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 1qh3 h LEU 215 CO 0.57 0.70 0.37 0.00 0.09 0.00 0.00 178.44 180.18 1qh3 h ALA 216 N 1.45 0.81 -0.52 1.53 0.00 -1.61 -1.85 119.26 119.08 1qh3 h ALA 216 Ca 0.27 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1qh3 h ALA 216 Cb -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1qh3 h ALA 216 CO -0.05 0.09 0.21 0.93 0.00 0.00 0.00 179.25 180.42 1qh3 h GLU 217 N 0.71 0.77 -0.86 0.00 5.08 -1.66 -2.50 114.58 116.13 1qh3 h GLU 217 Ca 0.26 -0.14 0.13 0.00 -1.00 0.00 0.00 59.36 58.61 1qh3 h GLU 217 Cb 0.07 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.13 1qh3 h GLU 217 CO -0.13 0.68 0.56 0.93 -1.00 0.00 0.00 179.01 180.05 1qh3 h GLU 218 N 0.69 0.68 0.00 2.33 4.39 -0.81 0.13 114.58 122.01 1qh3 h GLU 218 Ca 0.17 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1qh3 h GLU 218 Cb 0.20 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1qh3 h GLU 218 CO -0.01 0.45 0.00 0.74 -1.16 0.00 0.00 179.01 179.03 1qh3 h PHE 219 N 0.71 0.00 0.00 4.33 0.04 -0.88 -0.72 116.94 120.42 1qh3 h PHE 219 Ca 0.42 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.19 1qh3 h PHE 219 Cb 0.62 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.77 1qh3 h PHE 219 CO -0.00 0.00 -1.25 0.25 -0.60 0.00 0.00 178.31 176.71 1qh3 n THR 220 N -2.32 0.35 -0.77 -1.55 -2.24 0.45 -4.69 114.28 103.51 1qh3 n THR 220 Ca 0.01 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1qh3 n THR 220 Cb 0.19 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1qh3 n THR 220 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qh3 n TYR 221 N -2.38 0.00 -3.35 4.78 0.18 -1.05 -4.63 117.16 110.71 1qh3 n TYR 221 Ca -0.00 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.37 1qh3 n TYR 221 Cb 0.52 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.40 1qh3 n TYR 221 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 1qh3 s ASN 222 N 0.00 6.23 0.41 9.48 3.84 -0.30 -4.86 114.94 129.73 1qh3 s ASN 222 Ca 0.00 -0.14 0.10 0.00 0.21 0.00 0.00 52.86 53.03 1qh3 s ASN 222 Cb 0.00 -2.22 0.91 0.00 -0.55 0.00 0.00 41.25 39.39 1qh3 s ASN 222 CO 0.00 -0.37 1.99 1.55 -2.79 0.00 0.00 177.10 177.48 1qh3 h PRO 223 N 8.44 0.53 -0.07 0.43 0.13 -1.88 -0.14 132.00 139.43 1qh3 h PRO 223 Ca -0.29 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 64.66 1qh3 h PRO 223 Cb 1.14 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1qh3 h PRO 223 CO 0.72 0.35 -0.60 0.74 -0.23 0.00 0.00 178.00 178.97 1qh3 h PHE 224 N 0.54 0.33 0.00 1.56 0.04 -1.90 -1.98 116.94 115.52 1qh3 h PHE 224 Ca 0.26 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1qh3 h PHE 224 Cb 0.31 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.41 1qh3 h PHE 224 CO -0.00 0.79 0.00 0.52 -0.60 0.00 0.00 178.31 179.02 1qh3 h MET 225 N 0.19 0.00 -0.71 1.51 2.86 -1.58 -3.31 114.93 113.89 1qh3 h MET 225 Ca -0.01 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.44 1qh3 h MET 225 Cb 1.11 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.66 1qh3 h MET 225 CO 0.09 0.00 0.23 0.54 1.06 0.00 0.00 176.91 178.84 1qh3 n ARG 226 N -2.78 3.82 0.00 1.72 1.74 -0.17 -4.63 116.66 116.36 1qh3 n ARG 226 Ca 0.04 -3.10 0.04 0.00 -0.77 0.00 0.00 57.85 54.05 1qh3 n ARG 226 Cb 0.44 -2.21 0.19 0.00 -1.02 0.00 0.00 32.46 29.85 1qh3 n ARG 226 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1qh3 n VAL 227 N -0.10 1.12 1.11 1.55 0.24 -1.13 -0.70 118.33 120.42 1qh3 n VAL 227 Ca 0.39 0.28 0.12 0.00 -2.04 0.00 0.00 64.34 63.09 1qh3 n VAL 227 Cb 1.36 -1.14 0.23 0.00 -1.47 0.00 0.00 33.84 32.81 1qh3 n VAL 227 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1qh3 n ARG 228 N -1.39 0.54 -2.68 7.34 1.74 -1.26 -4.08 116.66 116.88 1qh3 n ARG 228 Ca 0.03 -0.36 -0.40 0.00 -0.77 0.00 0.00 57.85 56.35 1qh3 n ARG 228 Cb 0.08 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 29.97 1qh3 n ARG 228 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1qh3 s GLU 229 N -2.71 4.76 0.33 5.56 0.41 0.12 -4.96 118.70 122.21 1qh3 s GLU 229 Ca 0.18 1.56 0.01 0.00 -0.41 0.00 0.00 54.97 56.30 1qh3 s GLU 229 Cb 0.18 -3.29 0.57 0.00 -1.78 0.00 0.00 34.13 29.82 1qh3 s GLU 229 CO 0.62 0.35 1.97 0.87 -0.49 0.00 0.00 175.26 178.58 1qh3 h LYS 230 N 4.55 0.93 -0.66 1.61 1.79 -1.91 -1.91 116.57 120.97 1qh3 h LYS 230 Ca -0.45 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 57.95 1qh3 h LYS 230 Cb 1.21 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.61 1qh3 h LYS 230 CO 0.69 0.62 0.36 1.79 -1.08 0.00 0.00 179.45 181.82 1qh3 h THR 231 N 0.96 1.21 -0.28 -0.16 1.35 -1.93 0.51 112.91 114.57 1qh3 h THR 231 Ca 0.30 -0.54 -0.10 0.00 -0.55 0.00 0.00 66.41 65.52 1qh3 h THR 231 Cb 0.02 0.36 -0.01 0.00 -1.73 0.00 0.00 68.15 66.80 1qh3 h THR 231 CO -0.08 0.23 -0.22 0.58 -0.25 0.00 0.00 175.52 175.78 1qh3 h VAL 232 N 0.91 1.30 -0.88 6.82 2.07 -1.69 -2.12 116.25 122.66 1qh3 h VAL 232 Ca 0.23 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 1qh3 h VAL 232 Cb 0.05 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1qh3 h VAL 232 CO -0.04 0.43 0.52 1.56 0.02 0.00 0.00 177.57 180.07 1qh3 h GLN 233 N 0.37 1.21 -0.58 1.57 4.20 -1.27 -2.21 115.11 118.39 1qh3 h GLN 233 Ca 0.05 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1qh3 h GLN 233 Cb 0.77 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 1qh3 h GLN 233 CO 0.06 0.86 0.20 0.37 -0.67 0.00 0.00 178.83 179.64 1qh3 h GLN 234 N 1.22 0.89 -0.59 1.46 4.15 -0.79 0.13 115.11 121.58 1qh3 h GLN 234 Ca 0.32 -0.18 0.08 0.00 0.77 0.00 0.00 58.65 59.63 1qh3 h GLN 234 Cb -0.03 -0.13 -0.06 0.00 0.21 0.00 0.00 27.48 27.46 1qh3 h GLN 234 CO -0.06 0.79 0.26 1.25 -1.93 0.00 0.00 178.83 179.15 1qh3 h HIS 235 N 0.82 0.47 0.00 3.99 2.76 -0.92 -1.93 115.15 120.33 1qh3 h HIS 235 Ca 0.19 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1qh3 h HIS 235 Cb 0.26 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.09 1qh3 h HIS 235 CO 0.02 0.17 0.00 0.00 -1.30 0.00 0.00 177.93 176.82 1qh3 n ALA 236 N -2.41 2.18 -1.79 5.26 0.00 -0.87 -4.92 120.51 117.96 1qh3 n ALA 236 Ca 0.08 -0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.47 1qh3 n ALA 236 Cb 0.22 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 1qh3 n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qh3 n GLY 237 N 1.10 0.35 3.63 0.00 0.00 0.29 -5.01 105.19 105.55 1qh3 n GLY 237 Ca 0.05 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 1qh3 n GLY 237 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qh3 s GLU 238 N -3.65 1.99 -0.06 1.61 0.41 -0.33 -5.02 118.70 113.65 1qh3 s GLU 238 Ca 0.00 -2.19 0.12 0.00 -0.41 0.00 0.00 54.97 52.49 1qh3 s GLU 238 Cb 0.00 -1.39 0.21 0.00 -1.78 0.00 0.00 34.13 31.18 1qh3 s GLU 238 CO 0.00 -0.22 1.10 0.25 -0.49 0.00 0.00 175.26 175.90 1qh3 n THR 239 N -1.02 0.71 -3.77 3.63 -2.24 -1.26 -4.33 114.28 105.99 1qh3 n THR 239 Ca -0.09 -1.15 -0.12 0.00 -2.27 0.00 0.00 64.05 60.41 1qh3 n THR 239 Cb 0.67 0.35 -0.08 0.00 -2.10 0.00 0.00 70.33 69.16 1qh3 n THR 239 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1qh3 s ASP 240 N -1.93 -0.14 0.35 3.42 -4.77 -1.26 -5.08 116.67 107.26 1qh3 s ASP 240 Ca 0.20 -0.05 0.08 0.00 -3.30 0.00 0.00 52.55 49.47 1qh3 s ASP 240 Cb 0.20 0.32 0.64 0.00 -1.09 0.00 0.00 42.92 42.98 1qh3 s ASP 240 CO -0.04 -0.50 1.83 1.55 0.70 0.00 0.00 175.17 178.70 1qh3 h PRO 241 N 3.65 0.28 -0.09 2.11 0.13 -1.96 -1.67 132.00 134.45 1qh3 h PRO 241 Ca -0.31 -0.09 -0.06 0.00 -0.87 0.00 0.00 66.00 64.67 1qh3 h PRO 241 Cb 1.19 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1qh3 h PRO 241 CO 0.43 0.49 -0.20 0.28 -0.23 0.00 0.00 178.00 178.77 1qh3 h VAL 242 N 0.25 1.41 0.00 1.56 2.07 -1.92 0.99 116.25 120.61 1qh3 h VAL 242 Ca 0.04 -1.52 -0.11 0.00 0.82 0.00 0.00 66.70 65.94 1qh3 h VAL 242 Cb 0.54 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 1qh3 h VAL 242 CO 0.04 0.43 -0.52 0.74 0.02 0.00 0.00 177.57 178.28 1qh3 h THR 243 N -0.18 1.36 -0.39 2.57 2.02 -1.96 -1.68 112.91 114.65 1qh3 h THR 243 Ca -0.00 -1.77 -0.05 0.00 0.77 0.00 0.00 66.41 65.36 1qh3 h THR 243 Cb 0.80 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 69.15 1qh3 h THR 243 CO 0.04 0.51 0.06 0.74 0.37 0.00 0.00 175.52 177.24 1qh3 h THR 244 N 0.00 1.24 -0.09 3.16 2.02 -1.19 -0.88 112.91 117.17 1qh3 h THR 244 Ca -0.01 -0.87 0.03 0.00 0.77 0.00 0.00 66.41 66.33 1qh3 h THR 244 Cb 0.92 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 1qh3 h THR 244 CO 0.07 0.30 -0.11 -0.03 0.37 0.00 0.00 175.52 176.12 1qh3 h MET 245 N 0.49 -0.13 -0.41 6.66 -1.53 -0.52 0.17 114.93 119.65 1qh3 h MET 245 Ca 0.12 0.01 0.04 0.00 -3.44 0.00 0.00 59.70 56.42 1qh3 h MET 245 Cb 0.38 0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.42 1qh3 h MET 245 CO 0.01 -0.09 0.19 -0.09 0.14 0.00 0.00 176.91 177.07 1qh3 h ARG 246 N -0.14 0.37 -0.39 0.39 2.43 -1.14 -0.89 114.38 115.01 1qh3 h ARG 246 Ca 0.07 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 1qh3 h ARG 246 Cb 0.24 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1qh3 h ARG 246 CO -0.17 0.25 -0.14 0.00 -1.51 0.00 0.00 179.97 178.40 1qh3 h ALA 247 N 1.23 0.55 -0.63 2.80 0.00 -0.69 -1.31 119.26 121.21 1qh3 h ALA 247 Ca 0.18 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1qh3 h ALA 247 Cb 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1qh3 h ALA 247 CO -0.14 0.45 0.05 0.28 0.00 0.00 0.00 179.25 179.89 1qh3 h VAL 248 N 0.59 1.26 -0.31 0.00 2.07 -0.52 -0.93 116.25 118.42 1qh3 h VAL 248 Ca 0.09 -1.10 -0.10 0.00 0.82 0.00 0.00 66.70 66.42 1qh3 h VAL 248 Cb 0.67 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1qh3 h VAL 248 CO 0.05 0.41 -0.18 -0.09 0.02 0.00 0.00 177.57 177.77 1qh3 h ARG 249 N 0.99 0.68 -0.90 1.57 9.65 -1.10 -1.09 114.38 124.18 1qh3 h ARG 249 Ca 0.19 -0.31 0.00 0.00 -1.10 0.00 0.00 59.98 58.76 1qh3 h ARG 249 Cb 0.51 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.03 1qh3 h ARG 249 CO 0.02 0.91 0.57 -0.09 2.80 0.00 0.00 179.97 184.18 1qh3 h ARG 250 N 0.44 1.20 -0.35 0.20 2.43 -1.10 -1.25 114.38 115.94 1qh3 h ARG 250 Ca 0.07 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1qh3 h ARG 250 Cb 0.72 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1qh3 h ARG 250 CO 0.05 0.81 0.01 1.49 -1.51 0.00 0.00 179.97 180.83 1qh3 h GLU 251 N 1.23 0.62 -0.53 0.20 4.81 -0.93 -2.88 114.58 117.10 1qh3 h GLU 251 Ca 0.33 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1qh3 h GLU 251 Cb -0.10 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1qh3 h GLU 251 CO -0.07 0.72 0.12 -0.22 -0.73 0.00 0.00 179.01 178.83 1qh3 h LYS 252 N 0.43 0.81 -0.90 1.92 3.64 -0.90 -1.60 116.57 119.98 1qh3 h LYS 252 Ca 0.10 -0.17 0.18 0.00 -1.27 0.00 0.00 60.65 59.49 1qh3 h LYS 252 Cb 0.43 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 1qh3 h LYS 252 CO 0.02 0.74 0.58 -0.44 -2.27 0.00 0.00 179.45 178.08 1qh3 h ASP 253 N 0.78 0.53 -0.28 4.20 3.32 -1.01 -1.81 116.42 122.15 1qh3 h ASP 253 Ca 0.17 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1qh3 h ASP 253 Cb 0.30 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1qh3 h ASP 253 CO -0.00 0.24 0.00 0.00 -1.72 0.00 0.00 179.24 177.76 1qh3 n GLN 254 N -4.55 2.88 -2.34 3.56 10.64 -0.95 -5.02 117.38 121.60 1qh3 n GLN 254 Ca 0.19 -2.48 -0.42 0.00 -1.83 0.00 0.00 57.00 52.46 1qh3 n GLN 254 Cb 0.59 -1.59 -0.03 0.00 -0.86 0.00 0.00 30.24 28.36 1qh3 n GLN 254 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 1qh3 s PHE 255 N -2.04 3.38 -0.44 2.61 5.36 -0.65 -5.01 117.98 121.20 1qh3 s PHE 255 Ca 0.33 1.29 -0.22 0.00 -0.96 0.00 0.00 56.93 57.37 1qh3 s PHE 255 Cb 0.24 -3.49 0.02 0.00 -0.34 0.00 0.00 43.02 39.46 1qh3 s PHE 255 CO 0.11 -1.50 0.71 0.21 -1.46 0.00 0.00 175.22 173.29 1qh3 s LYS 256 N 0.39 3.37 -0.01 10.12 2.20 -1.26 -5.01 119.74 129.53 1qh3 s LYS 256 Ca 0.57 -0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.67 1qh3 s LYS 256 Cb -0.33 -3.93 -0.06 0.00 -1.51 0.00 0.00 37.83 31.99 1qh3 s LYS 256 CO 0.33 -1.04 1.66 -1.64 -0.36 0.00 0.00 175.35 174.31 1qh3 s MET 257 N 3.04 4.19 0.67 4.03 -1.94 -1.26 -5.00 119.30 123.03 1qh3 s MET 257 Ca 0.26 2.24 -0.14 0.00 -1.71 0.00 0.00 55.69 56.35 1qh3 s MET 257 Cb -0.13 -3.88 0.01 0.00 2.01 0.00 0.00 34.83 32.83 1qh3 s MET 257 CO 0.20 -0.81 1.09 -1.25 -0.01 0.00 0.00 175.02 174.24 1qh3 s PRO 258 N 3.63 2.81 0.52 2.03 0.04 -1.26 -4.95 135.00 137.82 1qh3 s PRO 258 Ca 0.74 1.26 0.28 0.00 0.04 0.00 0.00 61.00 63.32 1qh3 s PRO 258 Cb -0.35 -1.96 1.41 0.00 0.04 0.00 0.00 34.50 33.64 1qh3 s PRO 258 CO 0.31 -1.23 2.05 0.00 0.04 0.00 0.00 177.00 178.17 1qh3 h ARG 259 N -0.21 0.00 0.00 4.56 3.08 -2.05 -3.52 114.38 116.24 1qh3 h ARG 259 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1qh3 h ARG 259 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1qh3 h ARG 259 CO 0.54 0.12 0.00 -0.25 -1.07 0.00 0.00 179.97 179.32