#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qs9 s PRO 4 N 0.00 4.37 -0.02 -1.46 0.04 -1.26 -4.70 135.00 131.97 2qs9 s PRO 4 Ca 0.00 1.86 0.22 0.00 0.04 0.00 0.00 61.00 63.12 2qs9 s PRO 4 Cb 0.00 -3.38 -0.32 0.00 0.04 0.00 0.00 34.50 30.84 2qs9 s PRO 4 CO 0.00 -0.37 0.55 -1.13 0.04 0.00 0.00 177.00 176.09 2qs9 n SER 5 N 4.30 0.23 -3.76 6.66 3.41 0.51 -5.01 113.62 119.95 2qs9 n SER 5 Ca 0.10 -0.17 -0.07 0.00 -0.26 0.00 0.00 58.87 58.47 2qs9 n SER 5 Cb 0.45 1.81 -0.02 0.00 -0.26 0.00 0.00 64.21 66.19 2qs9 n SER 5 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2qs9 s LYS 6 N -3.41 1.50 0.10 4.33 -2.85 -1.19 -3.67 119.74 114.54 2qs9 s LYS 6 Ca -0.05 -0.79 0.10 0.00 -1.00 0.00 0.00 55.97 54.23 2qs9 s LYS 6 Cb 0.14 0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 36.41 2qs9 s LYS 6 CO 0.89 -0.68 -0.26 0.00 0.10 0.00 0.00 175.35 175.40 2qs9 s ALA 7 N -3.66 2.36 -0.06 0.59 0.00 -0.53 -1.17 121.76 119.29 2qs9 s ALA 7 Ca 0.10 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.68 2qs9 s ALA 7 Cb -0.04 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.66 2qs9 s ALA 7 CO 0.02 0.54 -0.09 0.08 0.00 0.00 0.00 175.76 176.32 2qs9 s VAL 8 N -0.98 0.88 -0.25 0.00 1.01 0.01 -1.16 120.40 119.92 2qs9 s VAL 8 Ca 0.14 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 2qs9 s VAL 8 Cb -0.10 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 2qs9 s VAL 8 CO 0.05 0.30 0.19 -0.63 0.00 0.00 0.00 175.10 175.01 2qs9 s ILE 9 N 0.85 5.34 -0.27 2.22 1.01 0.13 -0.58 121.20 129.89 2qs9 s ILE 9 Ca -0.12 0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 2qs9 s ILE 9 Cb -0.15 -3.53 0.03 0.00 0.01 0.00 0.00 42.46 38.83 2qs9 s ILE 9 CO 0.01 0.32 -0.03 -0.69 0.00 0.00 0.00 174.94 174.56 2qs9 s VAL 10 N 1.23 3.04 0.99 2.92 1.01 -0.09 -4.48 120.40 125.02 2qs9 s VAL 10 Ca 0.08 -1.11 -0.15 0.00 0.00 0.00 0.00 61.98 60.80 2qs9 s VAL 10 Cb -0.14 -2.61 0.19 0.00 0.00 0.00 0.00 36.38 33.82 2qs9 s VAL 10 CO 0.06 0.08 1.22 -2.16 0.00 0.00 0.00 175.10 174.30 2qs9 s PRO 11 N 1.32 0.48 0.87 2.72 0.04 -1.26 -1.25 135.00 137.92 2qs9 s PRO 11 Ca -0.01 -0.12 -0.13 0.00 0.04 0.00 0.00 61.00 60.78 2qs9 s PRO 11 Cb -0.18 -1.80 0.14 0.00 0.04 0.00 0.00 34.50 32.70 2qs9 s PRO 11 CO -0.03 -2.57 1.23 0.20 0.04 0.00 0.00 177.00 175.88 2qs9 s GLY 12 N -4.44 1.70 0.81 0.56 0.00 -0.84 -2.21 107.32 102.90 2qs9 s GLY 12 Ca 0.70 -0.99 -0.11 0.00 0.00 0.00 0.00 44.72 44.32 2qs9 s GLY 12 CO 0.53 -0.36 1.09 0.54 0.00 0.00 0.00 173.10 174.90 2qs9 s ASN 13 N -4.74 4.24 0.00 1.64 2.20 -1.26 -4.82 114.94 112.20 2qs9 s ASN 13 Ca 0.68 1.68 0.00 0.00 -0.94 0.00 0.00 52.86 54.28 2qs9 s ASN 13 Cb -0.07 -2.39 0.00 0.00 -2.00 0.00 0.00 41.25 36.79 2qs9 s ASN 13 CO 0.50 -2.18 0.00 0.61 -2.94 0.00 0.00 177.10 173.09 2qs9 n GLY 14 N -1.28 4.17 0.00 0.45 0.00 0.17 -4.92 105.19 103.79 2qs9 n GLY 14 Ca 0.08 -1.45 0.11 0.00 0.00 0.00 0.00 46.02 44.76 2qs9 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qs9 n GLY 15 N -1.61 -1.03 3.69 -0.02 0.00 -1.26 -4.61 105.19 100.34 2qs9 n GLY 15 Ca 0.00 -0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 2qs9 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qs9 n GLY 16 N 0.66 1.19 3.69 -0.02 0.00 -1.26 -4.88 105.19 104.57 2qs9 n GLY 16 Ca 0.11 0.60 -0.42 0.00 0.00 0.00 0.00 46.02 46.31 2qs9 n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qs9 s ASP 17 N 0.82 6.63 0.37 1.61 -1.08 -1.26 -4.89 116.67 118.88 2qs9 s ASP 17 Ca 0.74 2.44 0.11 0.00 -0.52 0.00 0.00 52.55 55.32 2qs9 s ASP 17 Cb -0.61 -2.56 0.87 0.00 -1.46 0.00 0.00 42.92 39.16 2qs9 s ASP 17 CO 0.40 -0.86 1.88 1.62 0.52 0.00 0.00 175.17 178.73 2qs9 h VAL 18 N 4.81 0.83 0.00 1.11 3.04 -1.89 -0.85 116.25 123.30 2qs9 h VAL 18 Ca -0.42 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 2qs9 h VAL 18 Cb 1.20 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 2qs9 h VAL 18 CO 0.93 0.11 0.00 0.71 -1.01 0.00 0.00 177.57 178.31 2qs9 h THR 19 N 0.62 0.00 0.00 3.17 1.35 -1.90 -3.30 112.91 112.85 2qs9 h THR 19 Ca 0.42 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 2qs9 h THR 19 Cb 0.74 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2qs9 h THR 19 CO -0.18 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.44 2qs9 n THR 20 N -2.88 0.22 -4.46 6.82 -2.24 -0.88 -4.14 114.28 106.73 2qs9 n THR 20 Ca 0.01 -0.36 -0.34 0.00 -2.27 0.00 0.00 64.05 61.10 2qs9 n THR 20 Cb 0.30 1.17 -0.10 0.00 -2.10 0.00 0.00 70.33 69.60 2qs9 n THR 20 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2qs9 s HIS 21 N -0.22 3.04 0.00 4.78 5.04 -0.38 -4.98 115.29 122.57 2qs9 s HIS 21 Ca 0.00 0.09 0.00 0.00 -1.54 0.00 0.00 55.06 53.61 2qs9 s HIS 21 Cb 0.00 -1.72 0.00 0.00 0.04 0.00 0.00 32.58 30.90 2qs9 s HIS 21 CO 0.00 0.41 0.00 0.41 -2.34 0.00 0.00 174.74 173.22 2qs9 n GLY 22 N 1.98 1.99 0.97 1.59 0.00 -1.26 -3.49 105.19 106.97 2qs9 n GLY 22 Ca -0.17 -0.49 0.12 0.00 0.00 0.00 0.00 46.02 45.47 2qs9 n GLY 22 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2qs9 n TRP 23 N 7.18 0.02 -0.10 1.61 4.27 -0.80 -4.31 117.44 125.31 2qs9 n TRP 23 Ca 0.00 -0.01 -0.06 0.00 -3.89 0.00 0.00 57.50 53.54 2qs9 n TRP 23 Cb 0.00 -0.00 0.01 0.00 -1.36 0.00 0.00 31.31 29.96 2qs9 n TRP 23 CO 0.00 0.00 0.00 1.88 -2.29 0.00 0.00 177.69 177.28 2qs9 h TYR 24 N 4.70 -0.01 -0.38 -2.67 0.05 -1.79 -1.60 116.97 115.28 2qs9 h TYR 24 Ca 0.00 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 2qs9 h TYR 24 Cb 1.00 0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.78 2qs9 h TYR 24 CO 0.01 -0.06 0.17 0.78 -1.05 0.00 0.00 178.16 178.01 2qs9 h GLY 25 N 0.10 0.59 0.97 3.88 0.00 -1.72 -0.38 103.07 106.51 2qs9 h GLY 25 Ca 0.17 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 2qs9 h GLY 25 CO -0.28 0.29 0.21 -0.25 0.00 0.00 0.00 176.54 176.51 2qs9 h TRP 26 N 0.46 0.55 -0.46 5.60 7.01 -1.74 -1.43 115.95 125.94 2qs9 h TRP 26 Ca 0.13 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 2qs9 h TRP 26 Cb 0.14 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 2qs9 h TRP 26 CO -0.01 0.43 0.24 0.28 -2.79 0.00 0.00 178.44 176.59 2qs9 h VAL 27 N 0.51 1.17 -0.47 2.65 2.07 -1.17 -0.69 116.25 120.31 2qs9 h VAL 27 Ca 0.14 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.25 2qs9 h VAL 27 Cb 0.07 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.43 2qs9 h VAL 27 CO -0.02 0.18 0.21 0.50 0.02 0.00 0.00 177.57 178.47 2qs9 h LYS 28 N 0.60 0.41 -0.74 1.57 3.64 -0.80 0.98 116.57 122.24 2qs9 h LYS 28 Ca 0.16 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2qs9 h LYS 28 Cb 0.08 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2qs9 h LYS 28 CO -0.02 0.27 0.22 0.87 -2.27 0.00 0.00 179.45 178.51 2qs9 h LYS 29 N 0.42 1.15 -0.51 1.90 1.57 -0.96 -0.95 116.57 119.19 2qs9 h LYS 29 Ca 0.21 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 2qs9 h LYS 29 Cb 0.16 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2qs9 h LYS 29 CO -0.18 0.99 -0.02 0.93 -0.57 0.00 0.00 179.45 180.61 2qs9 h GLU 30 N 1.10 0.91 -0.00 3.15 4.39 -0.54 -2.76 114.58 120.83 2qs9 h GLU 30 Ca 0.24 -0.30 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 2qs9 h GLU 30 Cb 0.33 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2qs9 h GLU 30 CO -0.00 0.95 -0.41 -0.07 -1.16 0.00 0.00 179.01 178.31 2qs9 h LEU 31 N 0.78 0.01 0.00 1.33 3.38 -0.59 -2.13 115.31 118.09 2qs9 h LEU 31 Ca 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2qs9 h LEU 31 Cb 0.54 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2qs9 h LEU 31 CO 0.03 0.42 0.00 -0.62 0.09 0.00 0.00 178.44 178.36 2qs9 n GLU 32 N -4.04 0.28 0.15 1.13 1.02 -0.38 -2.17 120.64 116.63 2qs9 n GLU 32 Ca -0.02 0.08 0.12 0.00 -0.02 0.00 0.00 57.16 57.32 2qs9 n GLU 32 Cb 0.44 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.59 2qs9 n GLU 32 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2qs9 h LYS 33 N 0.00 0.00 -6.19 3.49 1.57 -1.16 -3.45 116.57 110.83 2qs9 h LYS 33 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2qs9 h LYS 33 Cb 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 2qs9 h LYS 33 CO 0.00 0.00 0.96 0.42 -0.57 0.00 0.00 179.45 180.26 2qs9 s ILE 34 N -3.19 4.10 0.01 1.86 1.01 -0.92 -4.94 121.20 119.12 2qs9 s ILE 34 Ca 0.07 1.32 -0.35 0.00 0.00 0.00 0.00 60.65 61.69 2qs9 s ILE 34 Cb 0.09 -3.88 -0.14 0.00 0.01 0.00 0.00 42.46 38.54 2qs9 s ILE 34 CO 0.67 -0.15 1.66 -2.65 0.00 0.00 0.00 174.94 174.47 2qs9 n PRO 35 N 6.81 1.87 -1.04 2.79 -0.02 -1.26 -1.80 135.00 142.35 2qs9 n PRO 35 Ca 0.15 0.68 -0.02 0.00 -2.02 0.00 0.00 63.50 62.29 2qs9 n PRO 35 Cb 0.44 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 2qs9 n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qs9 n GLY 36 N 3.70 0.48 3.76 -1.23 0.00 -1.26 -5.03 105.19 105.61 2qs9 n GLY 36 Ca 0.20 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2qs9 n GLY 36 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qs9 s PHE 37 N -1.84 2.83 0.06 1.61 5.36 -0.74 -4.99 117.98 120.27 2qs9 s PHE 37 Ca 0.00 -0.28 0.01 0.00 -0.96 0.00 0.00 56.93 55.70 2qs9 s PHE 37 Cb 0.00 -1.55 -0.03 0.00 -0.34 0.00 0.00 43.02 41.10 2qs9 s PHE 37 CO 0.00 0.39 -0.06 -0.65 -1.46 0.00 0.00 175.22 173.45 2qs9 s GLN 38 N -3.85 0.65 -0.12 10.12 -1.52 -1.24 -4.82 119.66 118.87 2qs9 s GLN 38 Ca 0.36 -1.09 -0.04 0.00 -1.95 0.00 0.00 55.36 52.64 2qs9 s GLN 38 Cb -0.05 -0.08 0.06 0.00 -0.22 0.00 0.00 33.01 32.72 2qs9 s GLN 38 CO 0.24 -0.03 0.20 0.00 -0.25 0.00 0.00 175.29 175.44 2qs9 s LEU 40 N 2.33 4.39 -0.25 0.00 1.43 -0.31 -4.98 118.68 121.30 2qs9 s LEU 40 Ca 0.03 0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 53.57 2qs9 s LEU 40 Cb -0.13 -2.16 0.13 0.00 0.03 0.00 0.00 46.19 44.06 2qs9 s LEU 40 CO -0.08 0.39 0.48 0.00 0.23 0.00 0.00 176.35 177.37 2qs9 s ALA 41 N -1.06 -1.50 0.09 4.21 0.00 -1.26 -0.69 121.76 121.55 2qs9 s ALA 41 Ca 0.17 1.53 0.04 0.00 0.00 0.00 0.00 51.96 53.70 2qs9 s ALA 41 Cb -0.12 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 2qs9 s ALA 41 CO 0.06 -1.05 -0.11 0.15 0.00 0.00 0.00 175.76 174.80 2qs9 s LYS 42 N 2.69 0.86 0.00 0.00 1.02 -1.26 -4.85 119.74 118.20 2qs9 s LYS 42 Ca 0.07 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 54.94 2qs9 s LYS 42 Cb -0.14 -0.64 0.00 0.00 -0.52 0.00 0.00 37.83 36.53 2qs9 s LYS 42 CO -0.16 0.11 0.00 0.09 -0.92 0.00 0.00 175.35 174.47 2qs9 n ASN 43 N 0.72 -0.64 -4.53 2.83 3.02 -1.26 -4.87 115.26 110.53 2qs9 n ASN 43 Ca -0.17 -0.18 -0.29 0.00 -0.03 0.00 0.00 54.58 53.91 2qs9 n ASN 43 Cb 0.57 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.63 2qs9 n ASN 43 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2qs9 s PRO 45 N -1.48 1.94 -1.28 3.52 0.02 -1.26 -5.08 135.00 131.38 2qs9 s PRO 45 Ca 0.00 -1.15 -0.08 0.00 0.02 0.00 0.00 61.00 59.79 2qs9 s PRO 45 Cb 0.00 -2.18 -0.00 0.00 0.02 0.00 0.00 34.50 32.33 2qs9 s PRO 45 CO 0.00 0.48 0.61 -3.47 -0.33 0.00 0.00 177.00 174.29 2qs9 n ASP 46 N 0.62 -2.41 0.16 2.53 4.64 -1.26 -4.76 116.55 116.06 2qs9 n ASP 46 Ca -0.14 -0.98 0.14 0.00 -1.38 0.00 0.00 54.79 52.43 2qs9 n ASP 46 Cb 0.53 -3.34 0.71 0.00 -1.04 0.00 0.00 41.12 37.98 2qs9 n ASP 46 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2qs9 h PRO 47 N -1.87 0.00 0.01 -0.67 0.13 -1.98 0.34 132.00 127.96 2qs9 h PRO 47 Ca -0.64 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.47 2qs9 h PRO 47 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2qs9 h PRO 47 CO 0.56 0.00 -0.09 0.82 -0.23 0.00 0.00 178.00 179.06 2qs9 h ILE 48 N 0.00 1.70 0.00 -3.56 1.08 -1.89 0.48 117.51 115.32 2qs9 h ILE 48 Ca 0.11 -2.18 0.00 0.00 -0.39 0.00 0.00 64.86 62.40 2qs9 h ILE 48 Cb 0.45 3.17 0.00 0.00 -3.07 0.00 0.00 36.82 37.37 2qs9 h ILE 48 CO -0.00 0.57 -1.19 0.41 -0.69 0.00 0.00 178.15 177.25 2qs9 n THR 49 N -4.59 0.32 -3.97 -0.27 -1.04 -1.22 -4.47 114.28 99.04 2qs9 n THR 49 Ca -0.10 -0.41 -0.29 0.00 -2.04 0.00 0.00 64.05 61.21 2qs9 n THR 49 Cb 0.48 -0.06 -0.00 0.00 -1.82 0.00 0.00 70.33 68.93 2qs9 n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qs9 n ALA 50 N -2.05 -1.63 -1.62 2.41 0.00 0.11 -4.16 120.51 113.57 2qs9 n ALA 50 Ca 0.00 -0.06 -0.48 0.00 0.00 0.00 0.00 53.44 52.90 2qs9 n ALA 50 Cb 0.51 -2.86 -0.04 0.00 0.00 0.00 0.00 19.45 17.06 2qs9 n ALA 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qs9 n ARG 51 N -4.45 1.56 -0.36 0.00 1.74 -1.26 -4.75 116.66 109.14 2qs9 n ARG 51 Ca -0.12 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 2qs9 n ARG 51 Cb 0.59 -2.16 0.14 0.00 -1.02 0.00 0.00 32.46 30.01 2qs9 n ARG 51 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2qs9 h GLU 52 N 4.13 1.19 0.00 5.56 4.81 -1.49 0.11 114.58 128.89 2qs9 h GLU 52 Ca -0.45 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2qs9 h GLU 52 Cb 1.31 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2qs9 h GLU 52 CO 0.75 0.78 0.00 -1.13 -0.73 0.00 0.00 179.01 178.69 2qs9 n SER 53 N -4.47 0.58 -0.09 1.04 3.41 -1.26 -2.19 113.62 110.64 2qs9 n SER 53 Ca 0.13 0.70 -0.18 0.00 -0.26 0.00 0.00 58.87 59.27 2qs9 n SER 53 Cb 0.11 -0.81 -0.07 0.00 -0.26 0.00 0.00 64.21 63.18 2qs9 n SER 53 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2qs9 n ILE 54 N -2.21 1.02 -0.15 -1.33 5.41 -0.42 -4.54 119.36 117.14 2qs9 n ILE 54 Ca 0.00 -0.29 -0.10 0.00 1.00 0.00 0.00 62.75 63.36 2qs9 n ILE 54 Cb 0.13 -1.59 -0.01 0.00 -0.71 0.00 0.00 39.64 37.46 2qs9 n ILE 54 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2qs9 h TRP 55 N -0.50 0.75 -0.51 1.39 4.06 -0.82 -2.87 115.95 117.46 2qs9 h TRP 55 Ca -0.46 -0.11 -0.03 0.00 2.06 0.00 0.00 58.89 60.36 2qs9 h TRP 55 Cb 1.47 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 29.40 2qs9 h TRP 55 CO -0.04 0.72 0.19 -0.07 -3.56 0.00 0.00 178.44 175.69 2qs9 h LEU 56 N 0.56 0.72 -1.14 -4.49 4.07 -1.68 -2.62 115.31 110.73 2qs9 h LEU 56 Ca 0.13 -0.18 -0.07 0.00 0.08 0.00 0.00 57.88 57.84 2qs9 h LEU 56 Cb 0.38 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 2qs9 h LEU 56 CO 0.01 0.70 -0.14 -0.65 -1.08 0.00 0.00 178.44 177.28 2qs9 h PRO 57 N 0.69 0.44 -1.46 1.13 0.11 -1.78 -1.70 132.00 129.43 2qs9 h PRO 57 Ca 0.17 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2qs9 h PRO 57 Cb 0.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.28 2qs9 h PRO 57 CO -0.01 0.57 0.00 0.34 -0.21 0.00 0.00 178.00 178.69 2qs9 n PHE 58 N -4.21 0.00 0.00 0.65 7.35 -0.99 -1.34 117.46 118.93 2qs9 n PHE 58 Ca 0.00 -0.11 0.00 0.00 -0.76 0.00 0.00 57.45 56.58 2qs9 n PHE 58 Cb 0.32 -0.12 0.00 0.00 0.35 0.00 0.00 39.48 40.03 2qs9 n PHE 58 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2qs9 n GLU 60 N 0.77 0.00 -0.05 -4.13 2.13 -0.64 -0.49 120.64 118.23 2qs9 n GLU 60 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 2qs9 n GLU 60 Cb 0.12 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.69 2qs9 n GLU 60 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2qs9 n THR 61 N 0.00 1.55 -0.03 6.31 -2.24 -0.45 -3.17 114.28 116.25 2qs9 n THR 61 Ca 0.00 -0.78 -0.03 0.00 -2.27 0.00 0.00 64.05 60.97 2qs9 n THR 61 Cb 0.00 -0.97 -0.13 0.00 -2.10 0.00 0.00 70.33 67.12 2qs9 n THR 61 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qs9 n GLU 62 N -3.02 0.66 0.00 -0.78 -0.58 0.36 -4.24 120.64 113.03 2qs9 n GLU 62 Ca -0.26 0.07 0.07 0.00 -0.42 0.00 0.00 57.16 56.62 2qs9 n GLU 62 Cb 1.08 -1.65 0.02 0.00 -0.57 0.00 0.00 31.44 30.32 2qs9 n GLU 62 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2qs9 n LEU 63 N -2.75 1.76 -3.99 -4.62 4.77 -0.69 -5.01 117.00 106.46 2qs9 n LEU 63 Ca -0.19 -0.84 -0.28 0.00 -0.03 0.00 0.00 56.01 54.68 2qs9 n LEU 63 Cb 0.94 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.02 2qs9 n LEU 63 CO 0.44 0.33 -0.15 1.41 -1.33 0.00 0.00 177.39 178.08 2qs9 n HIS 64 N 0.15 -1.74 -2.23 -1.77 8.25 -1.19 -4.87 115.22 111.82 2qs9 n HIS 64 Ca 0.07 0.78 -0.43 0.00 -0.26 0.00 0.00 57.72 57.88 2qs9 n HIS 64 Cb 0.33 -3.63 -0.02 0.00 1.12 0.00 0.00 29.99 27.79 2qs9 n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qs9 n ASP 66 N 8.13 0.46 0.00 0.00 5.68 -1.26 -4.80 116.55 124.76 2qs9 n ASP 66 Ca 0.17 -0.60 0.05 0.00 -0.50 0.00 0.00 54.79 53.92 2qs9 n ASP 66 Cb 0.46 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.68 2qs9 n ASP 66 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2qs9 n GLU 67 N 0.00 0.06 -0.37 0.11 0.28 -1.18 -1.71 120.64 117.83 2qs9 n GLU 67 Ca 0.00 0.27 0.09 0.00 -0.16 0.00 0.00 57.16 57.36 2qs9 n GLU 67 Cb 0.00 -1.50 0.24 0.00 1.43 0.00 0.00 31.44 31.61 2qs9 n GLU 67 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2qs9 n LYS 68 N -1.42 2.63 -4.55 3.44 5.02 -1.26 -3.01 118.16 119.01 2qs9 n LYS 68 Ca 0.03 -2.77 -0.34 0.00 -2.02 0.00 0.00 58.31 53.21 2qs9 n LYS 68 Cb 0.11 -1.77 -0.11 0.00 -0.02 0.00 0.00 35.03 33.24 2qs9 n LYS 68 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2qs9 s THR 69 N -2.78 3.83 -0.35 -0.18 2.01 -0.69 -0.36 115.64 117.12 2qs9 s THR 69 Ca 0.40 -0.46 -0.11 0.00 0.31 0.00 0.00 61.69 61.83 2qs9 s THR 69 Cb 0.32 -2.59 0.01 0.00 0.01 0.00 0.00 72.50 70.25 2qs9 s THR 69 CO 0.08 0.58 0.19 -0.63 -0.69 0.00 0.00 174.62 174.14 2qs9 s ILE 70 N -0.85 4.65 -0.24 1.82 1.01 -0.32 -2.33 121.20 124.93 2qs9 s ILE 70 Ca 0.13 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 60.00 2qs9 s ILE 70 Cb -0.11 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 2qs9 s ILE 70 CO 0.02 -0.09 0.38 -0.63 0.00 0.00 0.00 174.94 174.62 2qs9 s ILE 71 N 1.59 5.19 -0.40 2.92 1.01 0.07 -0.81 121.20 130.76 2qs9 s ILE 71 Ca 0.03 0.63 -0.11 0.00 0.00 0.00 0.00 60.65 61.20 2qs9 s ILE 71 Cb -0.18 -3.71 0.05 0.00 0.01 0.00 0.00 42.46 38.63 2qs9 s ILE 71 CO 0.07 0.20 0.25 -0.63 0.00 0.00 0.00 174.94 174.83 2qs9 s ILE 72 N 1.72 4.51 -0.15 2.92 1.01 0.25 -0.00 121.20 131.47 2qs9 s ILE 72 Ca 0.17 -1.10 -0.03 0.00 0.00 0.00 0.00 60.65 59.68 2qs9 s ILE 72 Cb -0.15 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 2qs9 s ILE 72 CO 0.09 -0.39 -0.05 -0.83 0.00 0.00 0.00 174.94 173.76 2qs9 s GLY 73 N 1.90 1.70 -0.21 6.18 0.00 -0.32 -0.91 107.32 115.67 2qs9 s GLY 73 Ca 0.02 -0.83 -0.03 0.00 0.00 0.00 0.00 44.72 43.89 2qs9 s GLY 73 CO 0.05 -0.11 -0.07 -1.58 0.00 0.00 0.00 173.10 171.39 2qs9 s HIS 74 N 0.29 2.93 0.00 1.90 5.04 -0.38 -0.86 115.29 124.21 2qs9 s HIS 74 Ca -0.04 -1.04 0.00 0.00 -1.54 0.00 0.00 55.06 52.44 2qs9 s HIS 74 Cb -0.14 -2.08 0.00 0.00 0.04 0.00 0.00 32.58 30.40 2qs9 s HIS 74 CO 0.03 -0.59 0.00 0.45 -2.34 0.00 0.00 174.74 172.30 2qs9 n SER 75 N 4.76 0.00 -0.15 9.88 2.88 -0.05 -0.61 113.62 130.33 2qs9 n SER 75 Ca -0.19 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.46 2qs9 n SER 75 Cb 0.51 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 64.40 2qs9 n SER 75 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2qs9 h SER 76 N 0.00 0.52 0.43 -3.46 0.02 -1.86 0.20 113.55 109.39 2qs9 h SER 76 Ca 0.00 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 2qs9 h SER 76 Cb 0.00 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2qs9 h SER 76 CO 0.00 0.31 -0.33 1.23 -1.14 0.00 0.00 176.83 176.89 2qs9 h GLY 77 N 0.57 0.00 1.10 -3.77 0.00 -0.37 0.95 103.07 101.54 2qs9 h GLY 77 Ca 0.32 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.46 2qs9 h GLY 77 CO -0.11 0.00 -0.65 0.00 0.00 0.00 0.00 176.54 175.78 2qs9 h ALA 78 N 1.67 0.32 -0.41 3.60 0.00 -0.73 -1.26 119.26 122.44 2qs9 h ALA 78 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2qs9 h ALA 78 Cb 0.64 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2qs9 h ALA 78 CO 0.04 0.60 0.19 0.82 0.00 0.00 0.00 179.25 180.91 2qs9 h ILE 79 N 0.48 1.18 -0.58 0.00 1.08 -0.72 -2.86 117.51 116.09 2qs9 h ILE 79 Ca -0.03 -0.52 -0.00 0.00 -0.39 0.00 0.00 64.86 63.91 2qs9 h ILE 79 Cb 1.27 0.77 -0.03 0.00 -3.07 0.00 0.00 36.82 35.77 2qs9 h ILE 79 CO 0.14 0.20 0.35 0.00 -0.69 0.00 0.00 178.15 178.14 2qs9 h ALA 80 N 1.04 0.74 0.00 1.87 0.00 -0.78 -1.98 119.26 120.15 2qs9 h ALA 80 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qs9 h ALA 80 Cb 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2qs9 h ALA 80 CO -0.02 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.46 2qs9 n ALA 81 N -2.29 1.38 0.00 0.00 0.00 -0.48 -0.67 120.51 118.46 2qs9 n ALA 81 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2qs9 n ALA 81 Cb 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2qs9 n ALA 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qs9 n ARG 83 N 0.77 0.00 -0.23 0.00 5.12 -0.74 -1.20 116.66 120.38 2qs9 n ARG 83 Ca 0.00 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.86 2qs9 n ARG 83 Cb 0.03 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.37 2qs9 n ARG 83 CO 0.00 0.00 0.00 -0.92 -1.93 0.00 0.00 177.63 174.78 2qs9 h TYR 84 N 0.00 0.83 0.00 -1.55 3.20 -1.16 -2.01 116.97 116.29 2qs9 h TYR 84 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2qs9 h TYR 84 Cb 0.00 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 37.99 2qs9 h TYR 84 CO 0.00 0.54 0.00 0.00 -1.64 0.00 0.00 178.16 177.06 2qs9 n ALA 85 N -2.29 1.61 0.14 1.82 0.00 -0.34 -1.69 120.51 119.77 2qs9 n ALA 85 Ca 0.05 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.46 2qs9 n ALA 85 Cb 0.03 -1.18 0.16 0.00 0.00 0.00 0.00 19.45 18.46 2qs9 n ALA 85 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qs9 h GLU 86 N 0.00 0.00 0.00 0.00 5.08 -1.64 -3.36 114.58 114.66 2qs9 h GLU 86 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qs9 h GLU 86 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2qs9 h GLU 86 CO 0.00 0.57 0.00 0.25 -1.00 0.00 0.00 179.01 178.83 2qs9 n THR 87 N -3.53 0.00 -4.60 1.13 -2.24 -1.00 -4.76 114.28 99.29 2qs9 n THR 87 Ca -0.00 -0.38 -0.22 0.00 -2.27 0.00 0.00 64.05 61.18 2qs9 n THR 87 Cb 0.65 1.24 -0.15 0.00 -2.10 0.00 0.00 70.33 69.97 2qs9 n THR 87 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2qs9 s HIS 88 N -0.03 1.26 0.10 4.78 3.76 -0.69 -5.13 115.29 119.35 2qs9 s HIS 88 Ca 0.00 -0.26 -0.25 0.00 -0.15 0.00 0.00 55.06 54.40 2qs9 s HIS 88 Cb 0.00 -0.80 -0.06 0.00 1.11 0.00 0.00 32.58 32.82 2qs9 s HIS 88 CO 0.00 -0.01 0.79 1.03 -0.85 0.00 0.00 174.74 175.70 2qs9 s ARG 89 N -0.48 4.54 0.04 1.40 0.52 -1.26 -4.42 118.95 119.29 2qs9 s ARG 89 Ca 0.05 1.13 0.02 0.00 -0.52 0.00 0.00 55.73 56.41 2qs9 s ARG 89 Cb -0.06 -3.33 -0.02 0.00 0.52 0.00 0.00 34.95 32.06 2qs9 s ARG 89 CO -0.00 0.39 -0.07 0.54 0.02 0.00 0.00 175.30 176.17 2qs9 s VAL 90 N -0.46 0.51 0.05 3.52 0.11 -0.78 -3.10 120.40 120.25 2qs9 s VAL 90 Ca 0.38 -1.08 -0.23 0.00 -2.93 0.00 0.00 61.98 58.11 2qs9 s VAL 90 Cb -0.22 -0.60 -0.16 0.00 -1.53 0.00 0.00 36.38 33.87 2qs9 s VAL 90 CO 0.25 -0.40 1.54 0.22 -3.33 0.00 0.00 175.10 173.38 2qs9 h TYR 91 N 4.48 0.07 -2.54 1.54 3.20 -1.37 -3.38 116.97 118.97 2qs9 h TYR 91 Ca -0.35 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.48 2qs9 h TYR 91 Cb 1.20 -0.02 -0.15 0.00 1.54 0.00 0.00 36.73 39.30 2qs9 h TYR 91 CO 0.65 0.26 0.22 0.00 -1.64 0.00 0.00 178.16 177.65 2qs9 s ALA 92 N -5.34 -1.68 -0.06 1.82 0.00 -1.10 -3.55 121.76 111.86 2qs9 s ALA 92 Ca -0.14 0.87 0.02 0.00 0.00 0.00 0.00 51.96 52.71 2qs9 s ALA 92 Cb 0.05 0.48 0.02 0.00 0.00 0.00 0.00 23.12 23.66 2qs9 s ALA 92 CO 0.68 -0.60 -0.10 0.96 0.00 0.00 0.00 175.76 176.70 2qs9 s ILE 93 N -2.64 0.94 -0.28 0.00 -4.36 -0.56 -0.76 121.20 113.54 2qs9 s ILE 93 Ca -0.04 -0.37 -0.04 0.00 -0.26 0.00 0.00 60.65 59.95 2qs9 s ILE 93 Cb -0.01 -0.88 0.02 0.00 1.25 0.00 0.00 42.46 42.85 2qs9 s ILE 93 CO -0.03 0.31 0.01 -0.69 0.24 0.00 0.00 174.94 174.78 2qs9 s VAL 94 N 0.70 3.36 -0.26 8.37 1.01 0.99 -1.35 120.40 133.22 2qs9 s VAL 94 Ca -0.13 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.77 2qs9 s VAL 94 Cb -0.15 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 2qs9 s VAL 94 CO 0.03 0.09 0.22 -0.76 0.00 0.00 0.00 175.10 174.68 2qs9 s LEU 95 N 1.39 4.06 -0.24 3.92 1.43 0.99 -1.17 118.68 129.05 2qs9 s LEU 95 Ca 0.00 0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 53.18 2qs9 s LEU 95 Cb -0.17 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.86 2qs9 s LEU 95 CO -0.01 -0.04 -0.03 -0.69 0.23 0.00 0.00 176.35 175.81 2qs9 s VAL 96 N 1.56 3.23 -0.95 -1.59 1.01 -0.04 0.53 120.40 124.16 2qs9 s VAL 96 Ca 0.09 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 2qs9 s VAL 96 Cb -0.15 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 2qs9 s VAL 96 CO 0.09 0.27 0.84 -1.20 0.00 0.00 0.00 175.10 175.10 2qs9 n SER 97 N 4.75 -6.67 -4.92 3.32 7.64 -0.17 -0.87 113.62 116.71 2qs9 n SER 97 Ca -0.17 -0.57 -0.26 0.00 1.01 0.00 0.00 58.87 58.88 2qs9 n SER 97 Cb 0.49 -5.04 -0.01 0.00 -1.01 0.00 0.00 64.21 58.63 2qs9 n SER 97 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qs9 s ALA 98 N -3.30 3.56 0.13 -0.43 0.00 -1.26 -3.42 121.76 117.04 2qs9 s ALA 98 Ca 0.36 -0.66 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 2qs9 s ALA 98 Cb -0.05 -2.35 0.01 0.00 0.00 0.00 0.00 23.12 20.74 2qs9 s ALA 98 CO 0.71 -0.08 0.24 2.48 0.00 0.00 0.00 175.76 179.10 2qs9 n TYR 99 N -1.76 -1.19 0.00 0.00 0.18 -1.26 -4.07 117.16 109.06 2qs9 n TYR 99 Ca -0.02 -0.74 0.00 0.00 1.88 0.00 0.00 57.90 59.02 2qs9 n TYR 99 Cb 0.55 0.27 0.00 0.00 -0.38 0.00 0.00 39.34 39.79 2qs9 n TYR 99 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 2qs9 n THR 100 N -0.20 0.00 -4.58 -3.48 -2.24 -1.26 -4.93 114.28 97.59 2qs9 n THR 100 Ca -0.02 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.46 2qs9 n THR 100 Cb 0.21 0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 68.62 2qs9 n THR 100 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2qs9 s SER 101 N -1.07 4.13 0.00 3.42 1.04 -1.26 -4.89 113.70 115.07 2qs9 s SER 101 Ca 0.00 -1.48 0.12 0.00 0.48 0.00 0.00 55.95 55.08 2qs9 s SER 101 Cb 0.00 0.14 0.74 0.00 0.10 0.00 0.00 66.02 67.00 2qs9 s SER 101 CO 0.00 -0.73 1.37 -0.90 0.98 0.00 0.00 173.24 173.97 2qs9 n ASP 102 N -1.22 0.00 -1.82 7.02 5.68 -1.26 -4.84 116.55 120.11 2qs9 n ASP 102 Ca -0.12 -1.34 -0.16 0.00 -0.50 0.00 0.00 54.79 52.67 2qs9 n ASP 102 Cb 0.67 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.60 2qs9 n ASP 102 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2qs9 n LEU 103 N -0.73 -1.30 -0.78 -2.12 4.77 -1.26 -0.65 117.00 114.94 2qs9 n LEU 103 Ca 0.09 0.29 -0.10 0.00 -0.03 0.00 0.00 56.01 56.26 2qs9 n LEU 103 Cb 0.04 -2.40 -0.04 0.00 -2.33 0.00 0.00 43.42 38.69 2qs9 n LEU 103 CO 0.07 -0.60 -0.10 0.61 -1.33 0.00 0.00 177.39 176.04 2qs9 n GLY 104 N -0.52 1.07 3.73 -0.72 0.00 -1.26 -4.97 105.19 102.52 2qs9 n GLY 104 Ca -0.17 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 2qs9 n GLY 104 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qs9 s ASP 105 N -2.54 6.16 0.27 1.61 -1.08 0.18 -5.01 116.67 116.25 2qs9 s ASP 105 Ca 0.00 0.23 -0.04 0.00 -0.52 0.00 0.00 52.55 52.21 2qs9 s ASP 105 Cb 0.00 -2.07 0.34 0.00 -1.46 0.00 0.00 42.92 39.72 2qs9 s ASP 105 CO 0.00 0.19 1.94 -0.08 0.52 0.00 0.00 175.17 177.74 2qs9 h GLU 106 N 6.59 1.21 -0.20 4.34 4.57 -1.93 -0.55 114.58 128.60 2qs9 h GLU 106 Ca -0.41 -0.08 -0.13 0.00 -1.18 0.00 0.00 59.36 57.56 2qs9 h GLU 106 Cb 1.16 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 2qs9 h GLU 106 CO 0.75 0.81 -0.42 -0.97 -1.18 0.00 0.00 179.01 178.00 2qs9 h ASN 107 N 1.25 0.52 -0.15 1.04 -1.24 -1.95 -0.34 115.58 114.70 2qs9 h ASN 107 Ca 0.33 -0.23 -0.03 0.00 0.71 0.00 0.00 56.30 57.09 2qs9 h ASN 107 Cb -0.12 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 38.78 2qs9 h ASN 107 CO -0.07 0.87 -0.01 -0.33 -1.29 0.00 0.00 177.43 176.61 2qs9 h GLU 108 N 0.40 0.28 -0.93 6.67 4.39 -1.72 -3.03 114.58 120.64 2qs9 h GLU 108 Ca 0.03 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.67 2qs9 h GLU 108 Cb 0.90 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.48 2qs9 h GLU 108 CO 0.08 0.52 0.60 -0.09 -1.16 0.00 0.00 179.01 178.96 2qs9 h ARG 109 N 0.01 1.14 0.00 2.33 2.43 -0.94 -1.94 114.38 117.41 2qs9 h ARG 109 Ca 0.04 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2qs9 h ARG 109 Cb 0.40 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2qs9 h ARG 109 CO 0.01 0.75 0.00 0.00 -1.51 0.00 0.00 179.97 179.22 2qs9 h ALA 110 N 1.38 1.00 0.00 2.80 0.00 -0.94 -2.05 119.26 121.45 2qs9 h ALA 110 Ca 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.19 2qs9 h ALA 110 Cb -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qs9 h ALA 110 CO -0.12 0.00 -0.41 0.66 0.00 0.00 0.00 179.25 179.38 2qs9 h SER 111 N 0.00 0.00 0.00 0.00 4.64 -1.26 -3.45 113.55 113.48 2qs9 h SER 111 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qs9 h SER 111 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2qs9 h SER 111 CO 0.00 0.41 0.00 0.61 -0.87 0.00 0.00 176.83 176.98 2qs9 n GLY 112 N -0.03 1.01 0.22 -0.77 0.00 -0.77 -1.21 105.19 103.62 2qs9 n GLY 112 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 2qs9 n GLY 112 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2qs9 h TYR 113 N 0.00 0.00 -0.26 1.61 0.05 -1.82 -3.29 116.97 113.25 2qs9 h TYR 113 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2qs9 h TYR 113 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 2qs9 h TYR 113 CO 0.00 0.27 0.00 1.19 -1.05 0.00 0.00 178.16 178.57 2qs9 n PHE 114 N -3.57 0.79 1.37 4.88 3.72 -1.26 -4.67 117.46 118.71 2qs9 n PHE 114 Ca -0.01 -0.79 0.12 0.00 -0.05 0.00 0.00 57.45 56.72 2qs9 n PHE 114 Cb 0.41 -0.24 0.67 0.00 -0.94 0.00 0.00 39.48 39.38 2qs9 n PHE 114 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2qs9 n THR 115 N -0.32 0.10 -3.73 4.37 -2.24 -1.24 -4.83 114.28 106.39 2qs9 n THR 115 Ca 0.19 0.03 -0.09 0.00 -2.27 0.00 0.00 64.05 61.90 2qs9 n THR 115 Cb 0.77 -0.64 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 2qs9 n THR 115 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qs9 s ARG 116 N -2.23 1.43 0.91 -0.78 3.03 -1.26 -5.16 118.95 114.90 2qs9 s ARG 116 Ca 0.31 -0.85 -0.10 0.00 2.03 0.00 0.00 55.73 57.12 2qs9 s ARG 116 Cb 0.16 0.54 0.14 0.00 -1.03 0.00 0.00 34.95 34.77 2qs9 s ARG 116 CO 0.31 -0.62 1.14 -2.30 -1.13 0.00 0.00 175.30 172.71 2qs9 n PRO 117 N -0.36 -0.43 -2.81 3.89 -0.02 -1.26 -4.97 135.00 129.04 2qs9 n PRO 117 Ca -0.10 -0.06 -0.41 0.00 -2.02 0.00 0.00 63.50 60.92 2qs9 n PRO 117 Cb 0.62 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.68 2qs9 n PRO 117 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2qs9 s TRP 118 N -2.61 3.76 -1.27 6.00 0.52 -1.26 -4.97 118.94 119.12 2qs9 s TRP 118 Ca 0.67 1.68 -0.09 0.00 0.02 0.00 0.00 56.10 58.38 2qs9 s TRP 118 Cb -0.23 -2.99 0.18 0.00 -1.15 0.00 0.00 33.47 29.28 2qs9 s TRP 118 CO 0.58 0.20 1.86 1.04 0.02 0.00 0.00 176.95 180.65 2qs9 n GLN 119 N 2.95 3.69 -0.15 4.98 6.02 -1.26 -4.83 117.38 128.77 2qs9 n GLN 119 Ca 0.01 -3.59 -0.03 0.00 -0.01 0.00 0.00 57.00 53.38 2qs9 n GLN 119 Cb 0.50 -2.90 0.03 0.00 1.02 0.00 0.00 30.24 28.90 2qs9 n GLN 119 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 2qs9 h TRP 120 N 5.70 -0.24 -0.51 1.08 4.06 -1.93 -2.34 115.95 121.77 2qs9 h TRP 120 Ca 0.39 0.04 -0.03 0.00 2.06 0.00 0.00 58.89 61.35 2qs9 h TRP 120 Cb 0.62 0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.94 2qs9 h TRP 120 CO 1.24 -0.20 0.18 0.93 -3.56 0.00 0.00 178.44 177.03 2qs9 h GLU 121 N 0.01 0.75 -0.58 0.49 4.39 -1.88 -0.48 114.58 117.28 2qs9 h GLU 121 Ca 0.23 -0.12 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 2qs9 h GLU 121 Cb 0.36 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2qs9 h GLU 121 CO -0.49 0.64 0.08 0.87 -1.16 0.00 0.00 179.01 178.94 2qs9 h LYS 122 N 0.74 0.97 -0.11 2.33 1.57 -1.79 -0.84 116.57 119.43 2qs9 h LYS 122 Ca 0.17 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2qs9 h LYS 122 Cb 0.19 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2qs9 h LYS 122 CO -0.01 0.93 0.04 0.82 -0.57 0.00 0.00 179.45 180.65 2qs9 h ILE 123 N 0.87 1.18 -0.50 1.86 2.04 -0.96 -0.47 117.51 121.52 2qs9 h ILE 123 Ca 0.17 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.52 2qs9 h ILE 123 Cb 0.44 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 2qs9 h ILE 123 CO 0.01 0.16 0.33 0.50 0.00 0.00 0.00 178.15 179.15 2qs9 h LYS 124 N -0.00 0.57 0.03 2.37 3.64 -0.96 -1.28 116.57 120.94 2qs9 h LYS 124 Ca 0.04 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 2qs9 h LYS 124 Cb 0.22 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2qs9 h LYS 124 CO -0.00 0.38 -0.98 0.00 -2.27 0.00 0.00 179.45 176.57 2qs9 h ALA 125 N 1.71 0.39 0.00 5.00 0.00 -0.83 -3.31 119.26 122.21 2qs9 h ALA 125 Ca 0.20 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2qs9 h ALA 125 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qs9 h ALA 125 CO -0.05 0.98 -0.33 0.09 0.00 0.00 0.00 179.25 179.94 2qs9 n ASN 126 N -3.58 0.64 -3.73 0.00 3.02 -0.21 -4.70 115.26 106.68 2qs9 n ASN 126 Ca -0.04 0.28 -0.28 0.00 -0.03 0.00 0.00 54.58 54.50 2qs9 n ASN 126 Cb 0.88 -0.23 -0.16 0.00 -0.61 0.00 0.00 39.78 39.66 2qs9 n ASN 126 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qs9 h PRO 128 N 8.20 0.77 -4.97 0.00 0.13 -1.74 -3.41 132.00 130.97 2qs9 h PRO 128 Ca -0.16 -0.14 -0.67 0.00 -0.87 0.00 0.00 66.00 64.16 2qs9 h PRO 128 Cb 1.08 -0.12 -0.33 0.00 0.13 0.00 0.00 31.00 31.76 2qs9 h PRO 128 CO 0.38 0.68 -0.79 0.71 -0.23 0.00 0.00 178.00 178.76 2qs9 s TYR 129 N -5.22 2.96 -0.22 1.56 1.51 -1.23 -5.00 117.35 111.71 2qs9 s TYR 129 Ca -0.09 -1.54 0.01 0.00 -1.01 0.00 0.00 57.07 54.44 2qs9 s TYR 129 Cb 0.16 -2.01 0.05 0.00 -0.11 0.00 0.00 41.96 40.05 2qs9 s TYR 129 CO 0.79 -0.74 -0.07 0.42 -1.11 0.00 0.00 175.55 174.84 2qs9 s ILE 130 N 1.32 1.57 0.04 2.71 1.01 -1.26 -1.49 121.20 125.10 2qs9 s ILE 130 Ca 0.02 -1.14 0.03 0.00 0.00 0.00 0.00 60.65 59.56 2qs9 s ILE 130 Cb -0.15 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 2qs9 s ILE 130 CO -0.07 -0.00 -0.01 -0.69 0.00 0.00 0.00 174.94 174.16 2qs9 s VAL 131 N 1.39 4.02 -0.01 2.92 1.01 -0.45 -1.32 120.40 127.97 2qs9 s VAL 131 Ca -0.04 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.15 2qs9 s VAL 131 Cb -0.18 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.36 2qs9 s VAL 131 CO -0.07 0.27 -0.02 -1.58 0.00 0.00 0.00 175.10 173.70 2qs9 s GLN 132 N -1.87 0.26 -0.08 2.72 0.74 -0.49 -0.01 119.66 120.93 2qs9 s GLN 132 Ca 0.22 -0.06 0.03 0.00 0.05 0.00 0.00 55.36 55.60 2qs9 s GLN 132 Cb -0.12 -0.30 -0.02 0.00 1.10 0.00 0.00 33.01 33.68 2qs9 s GLN 132 CO 0.13 0.01 -0.18 -0.06 -0.55 0.00 0.00 175.29 174.65 2qs9 s PHE 133 N 0.20 2.64 -0.04 1.67 0.08 0.19 0.12 117.98 122.84 2qs9 s PHE 133 Ca -0.02 -0.58 -0.26 0.00 0.12 0.00 0.00 56.93 56.19 2qs9 s PHE 133 Cb -0.04 -1.70 0.06 0.00 -0.57 0.00 0.00 43.02 40.77 2qs9 s PHE 133 CO -0.01 -0.13 0.58 0.20 -0.10 0.00 0.00 175.22 175.77 2qs9 s GLY 134 N -0.10 -0.46 -0.04 4.36 0.00 -0.88 -1.00 107.32 109.20 2qs9 s GLY 134 Ca -0.03 1.06 0.05 0.00 0.00 0.00 0.00 44.72 45.79 2qs9 s GLY 134 CO 0.04 0.74 -0.18 -0.45 0.00 0.00 0.00 173.10 173.25 2qs9 s SER 135 N -1.19 2.18 0.30 1.64 0.15 -1.26 -0.79 113.70 114.73 2qs9 s SER 135 Ca -0.11 -0.35 0.24 0.00 0.70 0.00 0.00 55.95 56.42 2qs9 s SER 135 Cb -0.02 -0.54 1.08 0.00 -1.71 0.00 0.00 66.02 64.84 2qs9 s SER 135 CO 0.08 0.17 1.73 0.71 1.20 0.00 0.00 173.24 177.13 2qs9 h THR 136 N 5.14 0.00 -0.54 6.45 1.35 -1.41 -2.57 112.91 121.33 2qs9 h THR 136 Ca -0.33 -0.18 -0.04 0.00 -0.55 0.00 0.00 66.41 65.30 2qs9 h THR 136 Cb 1.17 0.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.44 2qs9 h THR 136 CO 0.48 0.00 0.04 -0.90 -0.25 0.00 0.00 175.52 174.89 2qs9 n ASP 137 N -2.31 5.19 -4.65 5.36 5.75 -1.26 -4.85 116.55 119.79 2qs9 n ASP 137 Ca 0.01 -3.02 -0.42 0.00 -0.01 0.00 0.00 54.79 51.35 2qs9 n ASP 137 Cb 0.18 -0.67 -0.03 0.00 -1.03 0.00 0.00 41.12 39.57 2qs9 n ASP 137 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2qs9 s ASP 138 N -1.09 6.40 0.32 -1.12 -1.08 -0.97 -4.46 116.67 114.67 2qs9 s ASP 138 Ca 0.52 2.26 0.26 0.00 -0.52 0.00 0.00 52.55 55.07 2qs9 s ASP 138 Cb 0.41 -2.53 1.01 0.00 -1.46 0.00 0.00 42.92 40.35 2qs9 s ASP 138 CO 0.14 -1.15 1.77 1.55 0.52 0.00 0.00 175.17 178.00 2qs9 h PRO 139 N 10.78 0.00 0.03 4.34 0.13 -1.92 -3.23 132.00 142.12 2qs9 h PRO 139 Ca -0.42 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.38 2qs9 h PRO 139 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 2qs9 h PRO 139 CO 0.96 0.00 -1.96 1.19 -0.23 0.00 0.00 178.00 177.96 2qs9 n PHE 140 N -2.46 0.79 -4.96 1.56 3.72 -1.26 -4.99 117.46 109.86 2qs9 n PHE 140 Ca 0.02 0.25 -0.30 0.00 -0.05 0.00 0.00 57.45 57.37 2qs9 n PHE 140 Cb 0.29 -1.13 -0.15 0.00 -0.94 0.00 0.00 39.48 37.55 2qs9 n PHE 140 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2qs9 s LEU 141 N -6.20 2.15 0.09 4.37 1.43 -1.22 -5.08 118.68 114.22 2qs9 s LEU 141 Ca -0.12 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.13 2qs9 s LEU 141 Cb 0.07 -1.28 -0.06 0.00 0.03 0.00 0.00 46.19 44.96 2qs9 s LEU 141 CO 0.80 0.26 0.90 -2.16 0.23 0.00 0.00 176.35 176.39 2qs9 s PRO 142 N -1.13 4.64 0.45 1.29 0.04 -1.26 -4.65 135.00 134.38 2qs9 s PRO 142 Ca 0.11 1.34 0.17 0.00 0.04 0.00 0.00 61.00 62.66 2qs9 s PRO 142 Cb -0.10 -3.37 1.10 0.00 0.04 0.00 0.00 34.50 32.17 2qs9 s PRO 142 CO 0.02 0.24 1.95 2.35 0.04 0.00 0.00 177.00 181.59 2qs9 h TRP 143 N 5.59 0.39 -0.90 0.56 2.91 -1.91 -1.53 115.95 121.06 2qs9 h TRP 143 Ca -0.43 0.01 0.21 0.00 1.13 0.00 0.00 58.89 59.81 2qs9 h TRP 143 Cb 1.21 -0.13 -0.12 0.00 -0.51 0.00 0.00 29.16 29.62 2qs9 h TRP 143 CO 0.65 0.16 0.43 -0.22 -1.03 0.00 0.00 178.44 178.43 2qs9 h LYS 144 N 0.35 0.46 -0.05 2.65 1.63 -1.99 0.27 116.57 119.90 2qs9 h LYS 144 Ca 0.33 -0.03 -0.19 0.00 -0.85 0.00 0.00 60.65 59.91 2qs9 h LYS 144 Cb 0.80 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 2qs9 h LYS 144 CO -0.09 0.30 -0.78 0.93 -3.45 0.00 0.00 179.45 176.37 2qs9 h GLU 145 N 0.47 0.33 -0.29 1.90 5.08 -1.65 -0.57 114.58 119.85 2qs9 h GLU 145 Ca 0.55 -0.30 -0.12 0.00 -1.00 0.00 0.00 59.36 58.50 2qs9 h GLU 145 Cb 1.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2qs9 h GLU 145 CO -0.49 0.96 -0.30 1.96 -1.00 0.00 0.00 179.01 180.14 2qs9 h GLN 146 N 0.21 0.61 -0.26 2.33 4.20 -1.04 -2.51 115.11 118.65 2qs9 h GLN 146 Ca -0.04 -0.26 -0.13 0.00 0.06 0.00 0.00 58.65 58.28 2qs9 h GLN 146 Cb 1.36 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.11 2qs9 h GLN 146 CO 0.13 0.84 -0.36 0.37 -0.67 0.00 0.00 178.83 179.14 2qs9 h GLN 147 N 0.52 0.58 -0.66 1.46 5.75 -0.37 -2.32 115.11 120.07 2qs9 h GLN 147 Ca 0.06 -0.27 0.00 0.00 -0.15 0.00 0.00 58.65 58.29 2qs9 h GLN 147 Cb 0.78 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.29 2qs9 h GLN 147 CO 0.06 0.85 0.41 1.49 -2.65 0.00 0.00 178.83 179.00 2qs9 h GLU 148 N 0.49 0.89 -0.39 1.69 4.81 -0.79 0.12 114.58 121.39 2qs9 h GLU 148 Ca 0.05 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2qs9 h GLU 148 Cb 0.85 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2qs9 h GLU 148 CO 0.07 0.61 0.16 0.28 -0.73 0.00 0.00 179.01 179.41 2qs9 h VAL 149 N 0.90 1.19 -0.69 0.32 2.07 -1.29 0.85 116.25 119.59 2qs9 h VAL 149 Ca 0.24 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.20 2qs9 h VAL 149 Cb -0.06 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2qs9 h VAL 149 CO -0.05 0.21 0.44 0.00 0.02 0.00 0.00 177.57 178.20 2qs9 h ALA 150 N 1.01 0.89 -0.05 1.67 0.00 -0.83 -1.02 119.26 120.93 2qs9 h ALA 150 Ca 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2qs9 h ALA 150 Cb 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2qs9 h ALA 150 CO -0.01 0.25 -0.12 -0.44 0.00 0.00 0.00 179.25 178.92 2qs9 h ASP 151 N 0.88 0.19 0.45 0.00 3.32 -0.51 -0.96 116.42 119.80 2qs9 h ASP 151 Ca 0.27 -0.59 -0.13 0.00 0.02 0.00 0.00 57.03 56.61 2qs9 h ASP 151 Cb -0.04 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2qs9 h ASP 151 CO -0.08 0.74 -0.55 0.03 -1.72 0.00 0.00 179.24 177.65 2qs9 h ARG 152 N -0.35 0.11 -0.03 3.56 2.47 -0.79 -3.13 114.38 116.23 2qs9 h ARG 152 Ca -0.00 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 2qs9 h ARG 152 Cb 0.72 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 2qs9 h ARG 152 CO 0.03 0.63 -0.03 1.28 0.56 0.00 0.00 179.97 182.44 2qs9 n LEU 153 N -3.89 2.86 -3.99 3.04 4.77 -0.39 -4.82 117.00 114.57 2qs9 n LEU 153 Ca -0.02 -0.99 -0.26 0.00 -0.03 0.00 0.00 56.01 54.71 2qs9 n LEU 153 Cb 0.57 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 2qs9 n LEU 153 CO 0.42 0.48 -0.24 -0.62 -1.33 0.00 0.00 177.39 176.11 2qs9 n GLU 154 N 1.21 -3.15 -1.40 3.23 1.02 -0.40 -4.92 120.64 116.24 2qs9 n GLU 154 Ca 0.13 0.38 -0.31 0.00 -0.02 0.00 0.00 57.16 57.34 2qs9 n GLU 154 Cb 0.57 -4.51 0.07 0.00 -0.02 0.00 0.00 31.44 27.55 2qs9 n GLU 154 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2qs9 s THR 155 N -3.94 3.63 -0.65 2.62 -4.23 -0.96 -4.91 115.64 107.20 2qs9 s THR 155 Ca 0.05 0.53 -0.22 0.00 -1.18 0.00 0.00 61.69 60.87 2qs9 s THR 155 Cb -0.03 -3.13 0.07 0.00 1.34 0.00 0.00 72.50 70.76 2qs9 s THR 155 CO 0.90 -0.69 0.93 -0.54 -0.54 0.00 0.00 174.62 174.68 2qs9 s LYS 156 N -4.96 3.11 -0.02 3.99 1.02 -0.43 -4.91 119.74 117.54 2qs9 s LYS 156 Ca 0.60 -0.87 -0.26 0.00 0.02 0.00 0.00 55.97 55.46 2qs9 s LYS 156 Cb -0.16 -4.22 -0.04 0.00 -0.52 0.00 0.00 37.83 32.89 2qs9 s LYS 156 CO 0.56 -1.77 0.81 -1.17 -0.92 0.00 0.00 175.35 172.86 2qs9 s LEU 157 N 3.90 4.36 -0.54 3.17 2.96 -1.26 -1.39 118.68 129.88 2qs9 s LEU 157 Ca 0.21 1.40 -0.02 0.00 -0.22 0.00 0.00 54.13 55.51 2qs9 s LEU 157 Cb -0.18 -3.28 0.14 0.00 0.50 0.00 0.00 46.19 43.37 2qs9 s LEU 157 CO 0.10 -0.14 0.33 -1.00 -1.32 0.00 0.00 176.35 174.32 2qs9 s HIS 158 N 0.71 3.45 -0.20 5.38 3.76 0.12 -4.96 115.29 123.55 2qs9 s HIS 158 Ca 0.43 -2.70 -0.15 0.00 -0.15 0.00 0.00 55.06 52.50 2qs9 s HIS 158 Cb -0.19 -3.15 -0.04 0.00 1.11 0.00 0.00 32.58 30.30 2qs9 s HIS 158 CO 0.22 -0.87 0.34 0.21 -0.85 0.00 0.00 174.74 173.79 2qs9 s LYS 159 N 0.30 4.18 0.46 1.40 2.20 -1.26 -2.08 119.74 124.94 2qs9 s LYS 159 Ca 0.14 0.10 0.04 0.00 -0.36 0.00 0.00 55.97 55.89 2qs9 s LYS 159 Cb -0.22 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.55 2qs9 s LYS 159 CO -0.03 0.04 0.01 -0.06 -0.36 0.00 0.00 175.35 174.94 2qs9 s PHE 160 N 1.09 2.18 0.00 4.03 0.08 0.03 -5.00 117.98 120.40 2qs9 s PHE 160 Ca 0.17 -0.82 0.00 0.00 0.12 0.00 0.00 56.93 56.40 2qs9 s PHE 160 Cb -0.14 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.62 2qs9 s PHE 160 CO 0.07 0.34 0.12 0.25 -0.10 0.00 0.00 175.22 175.89 2qs9 n THR 161 N -1.12 0.00 -2.05 0.64 -2.24 -1.26 -1.19 114.28 107.05 2qs9 n THR 161 Ca -0.12 -0.36 0.01 0.00 -2.27 0.00 0.00 64.05 61.31 2qs9 n THR 161 Cb 0.67 1.09 0.01 0.00 -2.10 0.00 0.00 70.33 70.00 2qs9 n THR 161 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2qs9 n ASP 162 N -0.48 0.32 -0.97 3.42 5.75 -1.26 -4.01 116.55 119.32 2qs9 n ASP 162 Ca 0.00 -2.07 0.12 0.00 -0.01 0.00 0.00 54.79 52.83 2qs9 n ASP 162 Cb 0.02 -0.23 0.12 0.00 -1.03 0.00 0.00 41.12 39.99 2qs9 n ASP 162 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qs9 n GLY 164 N 1.36 3.16 1.65 0.00 0.00 -1.26 -0.94 105.19 109.16 2qs9 n GLY 164 Ca 0.14 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.04 2qs9 n GLY 164 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2qs9 n HIS 165 N 14.00 1.76 -3.46 1.61 -0.00 -1.26 -4.12 115.22 123.75 2qs9 n HIS 165 Ca 0.00 -0.75 -0.20 0.00 0.46 0.00 0.00 57.72 57.23 2qs9 n HIS 165 Cb 0.00 -0.49 0.03 0.00 -0.12 0.00 0.00 29.99 29.41 2qs9 n HIS 165 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 2qs9 n PHE 166 N 0.23 -2.29 -1.09 1.57 3.72 -0.11 -4.93 117.46 114.56 2qs9 n PHE 166 Ca 0.26 0.74 0.08 0.00 -0.05 0.00 0.00 57.45 58.48 2qs9 n PHE 166 Cb 1.07 -3.66 0.21 0.00 -0.94 0.00 0.00 39.48 36.16 2qs9 n PHE 166 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2qs9 n GLN 167 N -3.25 2.18 -2.00 -1.08 6.02 -1.26 -4.82 117.38 113.16 2qs9 n GLN 167 Ca -0.09 -2.80 -0.25 0.00 -0.01 0.00 0.00 57.00 53.85 2qs9 n GLN 167 Cb 0.59 -1.71 0.16 0.00 1.02 0.00 0.00 30.24 30.29 2qs9 n GLN 167 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2qs9 n ASN 168 N -0.93 0.53 0.00 1.08 4.13 -1.26 -4.75 115.26 114.07 2qs9 n ASN 168 Ca 0.21 -1.68 0.11 0.00 1.68 0.00 0.00 54.58 54.90 2qs9 n ASN 168 Cb 0.81 -0.81 -0.05 0.00 -1.54 0.00 0.00 39.78 38.19 2qs9 n ASN 168 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2qs9 n THR 169 N -3.33 0.03 -4.29 3.41 -2.24 -1.26 -1.90 114.28 104.70 2qs9 n THR 169 Ca 0.15 -0.10 -0.17 0.00 -2.27 0.00 0.00 64.05 61.67 2qs9 n THR 169 Cb 0.54 0.64 -0.10 0.00 -2.10 0.00 0.00 70.33 69.31 2qs9 n THR 169 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2qs9 s GLU 170 N -3.09 1.18 -0.48 -0.78 2.02 -1.26 -4.29 118.70 111.99 2qs9 s GLU 170 Ca 0.06 -1.49 0.06 0.00 0.02 0.00 0.00 54.97 53.62 2qs9 s GLU 170 Cb 0.16 -0.88 0.25 0.00 0.10 0.00 0.00 34.13 33.75 2qs9 s GLU 170 CO 0.84 0.14 0.88 0.34 0.02 0.00 0.00 175.26 177.48 2qs9 n PHE 171 N -0.20 -3.13 -0.30 1.61 -0.00 -1.26 -4.94 117.46 109.25 2qs9 n PHE 171 Ca -0.10 -1.90 0.03 0.00 -0.00 0.00 0.00 57.45 55.49 2qs9 n PHE 171 Cb 0.60 1.45 0.17 0.00 -0.00 0.00 0.00 39.48 41.70 2qs9 n PHE 171 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2qs9 h HIS 172 N 3.93 0.90 -0.39 -5.13 -0.00 -2.01 -2.17 115.15 110.28 2qs9 h HIS 172 Ca -0.13 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.32 2qs9 h HIS 172 Cb 1.02 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 28.14 2qs9 h HIS 172 CO 0.05 0.38 0.27 0.93 -0.00 0.00 0.00 177.93 179.56 2qs9 h GLU 173 N 0.83 0.29 -0.38 5.26 3.07 -2.00 -0.69 114.58 120.96 2qs9 h GLU 173 Ca 0.40 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 59.14 2qs9 h GLU 173 Cb 0.35 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 2qs9 h GLU 173 CO -0.24 0.19 -0.21 1.25 -1.40 0.00 0.00 179.01 178.60 2qs9 h LEU 174 N 0.29 0.75 -0.55 1.33 5.85 -1.82 -2.03 115.31 119.13 2qs9 h LEU 174 Ca 0.17 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 2qs9 h LEU 174 Cb 0.31 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2qs9 h LEU 174 CO -0.04 0.95 0.15 0.40 -0.34 0.00 0.00 178.44 179.57 2qs9 h ILE 175 N 0.65 1.24 -0.86 4.05 1.08 -1.13 -1.43 117.51 121.12 2qs9 h ILE 175 Ca 0.09 -0.84 0.03 0.00 -0.39 0.00 0.00 64.86 63.75 2qs9 h ILE 175 Cb 0.71 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 35.15 2qs9 h ILE 175 CO 0.05 0.31 0.56 0.74 -0.69 0.00 0.00 178.15 179.12 2qs9 h THR 176 N 0.78 1.16 -0.25 -0.27 2.02 -1.19 -0.50 112.91 114.66 2qs9 h THR 176 Ca 0.18 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2qs9 h THR 176 Cb 0.31 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 2qs9 h THR 176 CO -0.00 0.20 0.11 0.58 0.37 0.00 0.00 175.52 176.78 2qs9 h VAL 177 N 1.10 1.16 -0.87 3.16 2.07 -0.94 -1.50 116.25 120.42 2qs9 h VAL 177 Ca 0.33 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2qs9 h VAL 177 Cb -0.03 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 2qs9 h VAL 177 CO -0.10 0.17 0.46 0.58 0.02 0.00 0.00 177.57 178.69 2qs9 h VAL 178 N 0.26 1.26 -0.23 2.57 2.07 -0.81 -1.65 116.25 119.72 2qs9 h VAL 178 Ca 0.08 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.85 2qs9 h VAL 178 Cb 0.16 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 2qs9 h VAL 178 CO -0.01 0.30 -0.21 0.11 0.02 0.00 0.00 177.57 177.78 2qs9 h LYS 179 N 1.23 0.41 -0.25 1.57 1.57 -0.90 -1.86 116.57 118.34 2qs9 h LYS 179 Ca 0.30 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.83 2qs9 h LYS 179 Cb 0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2qs9 h LYS 179 CO -0.04 0.60 -0.35 0.66 -0.57 0.00 0.00 179.45 179.75 2qs9 h SER 180 N 0.37 0.57 0.41 0.86 4.64 -0.73 -2.65 113.55 117.02 2qs9 h SER 180 Ca 0.06 -0.23 -0.09 0.00 -0.47 0.00 0.00 61.79 61.06 2qs9 h SER 180 Cb 0.58 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2qs9 h SER 180 CO 0.04 0.88 -0.41 -0.07 -0.87 0.00 0.00 176.83 176.39 2qs9 h LEU 181 N 0.46 0.00 -0.97 5.97 3.38 -0.79 -2.45 115.31 120.92 2qs9 h LEU 181 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2qs9 h LEU 181 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2qs9 h LEU 181 CO 0.07 0.41 0.00 -0.07 0.09 0.00 0.00 178.44 178.94 2qs9 h LEU 182 N 0.00 0.00 -0.39 1.67 3.38 -0.99 -1.82 115.31 117.16 2qs9 h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qs9 h LEU 182 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2qs9 h LEU 182 CO 0.05 0.00 -0.27 0.29 0.09 0.00 0.00 178.44 178.61 2qs9 n LYS 183 N -2.65 0.70 -3.17 1.13 5.02 -0.92 -4.95 118.16 113.32 2qs9 n LYS 183 Ca 0.02 -0.39 -0.09 0.00 -2.02 0.00 0.00 58.31 55.83 2qs9 n LYS 183 Cb 0.29 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.81 2qs9 n LYS 183 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2qs9 n VAL 184 N -0.81 -8.81 -1.11 -0.18 0.31 -0.69 -4.95 118.33 102.10 2qs9 n VAL 184 Ca 0.12 0.09 -0.32 0.00 -0.01 0.00 0.00 64.34 64.22 2qs9 n VAL 184 Cb 0.34 -6.11 0.12 0.00 -0.91 0.00 0.00 33.84 27.27 2qs9 n VAL 184 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2qs9 s PRO 185 N -3.19 1.79 0.36 5.55 0.04 -1.26 -4.95 135.00 133.34 2qs9 s PRO 185 Ca 0.09 1.45 -0.28 0.00 0.04 0.00 0.00 61.00 62.29 2qs9 s PRO 185 Cb -0.02 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.59 2qs9 s PRO 185 CO 0.79 -2.04 1.46 0.00 0.04 0.00 0.00 177.00 177.25 2qs9 s ALA 186 N -2.59 3.58 0.35 8.56 0.00 -1.26 -4.95 121.76 125.45 2qs9 s ALA 186 Ca 0.66 1.50 -0.27 0.00 0.00 0.00 0.00 51.96 53.86 2qs9 s ALA 186 Cb -0.22 -3.59 -0.09 0.00 0.00 0.00 0.00 23.12 19.23 2qs9 s ALA 186 CO 0.53 -0.96 1.12 -0.51 0.00 0.00 0.00 175.76 175.94 2qs9 s LEU 187 N -1.82 4.33 0.40 0.00 1.43 -1.26 -5.04 118.68 116.71 2qs9 s LEU 187 Ca 0.53 2.25 -0.02 0.00 -1.03 0.00 0.00 54.13 55.86 2qs9 s LEU 187 Cb -0.45 -3.90 -0.04 0.00 0.03 0.00 0.00 46.19 41.84 2qs9 s LEU 187 CO 0.59 -0.42 0.64 -1.83 0.23 0.00 0.00 176.35 175.57 2qs9 s GLU 188 N -2.00 3.51 -0.32 1.70 4.04 -1.26 -5.02 118.70 119.35 2qs9 s GLU 188 Ca 0.52 -0.11 -0.29 0.00 0.04 0.00 0.00 54.97 55.13 2qs9 s GLU 188 Cb -0.29 -2.55 -0.00 0.00 0.02 0.00 0.00 34.13 31.31 2qs9 s GLU 188 CO 0.37 0.01 1.42 -1.58 -1.84 0.00 0.00 175.26 173.64 2qs9 s HIS 189 N -2.48 2.45 0.25 4.83 2.46 -1.26 -4.99 115.29 116.55 2qs9 s HIS 189 Ca 0.43 0.74 0.00 0.00 0.47 0.00 0.00 55.06 56.70 2qs9 s HIS 189 Cb -0.10 -4.06 0.00 0.00 -0.13 0.00 0.00 32.58 28.30 2qs9 s HIS 189 CO 0.39 -2.08 0.03 0.72 -2.47 0.00 0.00 174.74 171.34 2qs9 n HIS 190 N 8.27 0.28 -3.87 3.88 8.25 -1.26 -5.14 115.22 125.63 2qs9 n HIS 190 Ca 0.16 -1.19 -0.28 0.00 -0.26 0.00 0.00 57.72 56.15 2qs9 n HIS 190 Cb 0.47 -0.17 -0.16 0.00 1.12 0.00 0.00 29.99 31.24 2qs9 n HIS 190 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2qs9 s HIS 191 N -1.78 1.65 -0.18 4.41 3.76 -1.26 -5.11 115.29 116.78 2qs9 s HIS 191 Ca 0.03 -1.09 -0.07 0.00 -0.15 0.00 0.00 55.06 53.78 2qs9 s HIS 191 Cb -0.00 -1.29 -0.04 0.00 1.11 0.00 0.00 32.58 32.37 2qs9 s HIS 191 CO 0.02 -0.62 0.04 -1.01 -0.85 0.00 0.00 174.74 172.32 2qs9 s HIS 192 N 1.65 3.20 0.29 1.40 4.02 -1.26 -5.09 115.29 119.50 2qs9 s HIS 192 Ca -0.00 -0.03 0.03 0.00 1.02 0.00 0.00 55.06 56.08 2qs9 s HIS 192 Cb -0.16 -2.06 -0.06 0.00 -1.02 0.00 0.00 32.58 29.28 2qs9 s HIS 192 CO -0.07 0.09 0.06 -1.01 1.02 0.00 0.00 174.74 174.83 2qs9 s HIS 193 N 0.42 1.78 -2.10 1.40 3.76 -1.26 -5.21 115.29 114.09 2qs9 s HIS 193 Ca 0.02 -1.02 0.31 0.00 -0.15 0.00 0.00 55.06 54.22 2qs9 s HIS 193 Cb -0.13 -1.12 1.74 0.00 1.11 0.00 0.00 32.58 34.19 2qs9 s HIS 193 CO 0.01 -0.10 2.13 -2.39 -0.85 0.00 0.00 174.74 173.55