#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qag n ASN 22 N 0.00 1.35 0.28 0.00 2.85 -1.26 -4.77 115.26 113.71 2qag n ASN 22 Ca 0.00 -0.43 0.17 0.00 -0.11 0.00 0.00 54.58 54.21 2qag n ASN 22 Cb 0.00 1.09 0.76 0.00 1.24 0.00 0.00 39.78 42.87 2qag n ASN 22 CO 0.00 0.00 0.00 0.17 -2.11 0.00 0.00 177.26 175.32 2qag h LEU 23 N 0.00 0.00 -1.41 1.20 8.10 -2.04 0.42 115.31 121.58 2qag h LEU 23 Ca 0.00 0.00 0.02 0.00 0.11 0.00 0.00 57.88 58.01 2qag h LEU 23 Cb 0.18 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.37 2qag h LEU 23 CO 0.00 0.04 0.42 1.55 -4.11 0.00 0.00 178.44 176.34 2qag h PRO 24 N 0.00 0.76 -0.71 0.17 0.13 -1.97 4.27 132.00 134.64 2qag h PRO 24 Ca -0.00 -0.05 0.09 0.00 -0.87 0.00 0.00 66.00 65.18 2qag h PRO 24 Cb 0.43 -0.17 -0.07 0.00 0.13 0.00 0.00 31.00 31.32 2qag h PRO 24 CO 0.01 0.50 0.36 -0.97 -0.23 0.00 0.00 178.00 177.67 2qag h ASN 25 N 0.78 0.48 0.12 1.44 -0.73 -0.52 -1.27 115.58 115.88 2qag h ASN 25 Ca 0.24 0.06 -0.00 0.00 1.87 0.00 0.00 56.30 58.47 2qag h ASN 25 Cb 0.02 -0.02 -0.00 0.00 0.27 0.00 0.00 38.32 38.59 2qag h ASN 25 CO -0.06 0.27 -1.88 1.67 -0.37 0.00 0.00 177.43 177.07 2qag n GLN 26 N -4.85 0.65 -0.20 6.67 -0.06 -0.03 -2.82 117.38 116.74 2qag n GLN 26 Ca 0.11 -0.16 -0.06 0.00 -2.00 0.00 0.00 57.00 54.89 2qag n GLN 26 Cb 0.27 -1.56 0.04 0.00 -4.06 0.00 0.00 30.24 24.93 2qag n GLN 26 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 2qag h VAL 27 N 0.00 1.12 0.03 1.69 2.07 0.81 -3.32 116.25 118.65 2qag h VAL 27 Ca -0.00 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 2qag h VAL 27 Cb 1.00 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2qag h VAL 27 CO 0.00 0.14 -0.01 1.12 0.02 0.00 0.00 177.57 178.83 2qag h HIS 28 N 0.76 -0.04 0.00 1.57 2.07 -1.06 -1.49 115.15 116.95 2qag h HIS 28 Ca 0.22 -0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.74 2qag h HIS 28 Cb -0.05 0.01 0.00 0.00 2.57 0.00 0.00 27.41 29.95 2qag h HIS 28 CO -0.04 0.10 0.00 0.54 -3.07 0.00 0.00 177.93 175.46 2qag n ARG 29 N -5.05 0.10 0.06 5.12 1.74 -1.19 -3.67 116.66 113.78 2qag n ARG 29 Ca -0.08 0.22 -0.06 0.00 -0.77 0.00 0.00 57.85 57.17 2qag n ARG 29 Cb 0.10 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.94 2qag n ARG 29 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 2qag h LYS 30 N 0.00 0.00 0.00 5.56 -0.00 -1.36 0.53 116.57 121.29 2qag h LYS 30 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2qag h LYS 30 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.37 2qag h LYS 30 CO 0.00 0.85 0.00 0.43 -0.00 0.00 0.00 179.45 180.73 2qag n SER 31 N -3.28 0.16 -0.00 7.07 7.64 -1.24 -3.65 113.62 120.31 2qag n SER 31 Ca -0.02 0.55 -0.09 0.00 1.01 0.00 0.00 58.87 60.31 2qag n SER 31 Cb 0.92 -0.58 -0.04 0.00 -1.01 0.00 0.00 64.21 63.51 2qag n SER 31 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2qag h VAL 32 N 0.00 0.77 -0.06 0.44 2.07 -0.13 2.08 116.25 121.42 2qag h VAL 32 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2qag h VAL 32 Cb 0.23 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2qag h VAL 32 CO 0.00 0.00 0.01 0.50 0.02 0.00 0.00 177.57 178.10 2qag h LYS 33 N -0.07 0.04 0.00 1.57 3.64 -1.67 -3.41 116.57 116.66 2qag h LYS 33 Ca 0.07 -0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.12 2qag h LYS 33 Cb 0.18 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.93 2qag h LYS 33 CO -0.17 0.03 -2.25 1.17 -2.27 0.00 0.00 179.45 175.96 2qag n LYS 34 N -5.09 0.89 -0.76 1.90 0.00 0.06 -5.02 118.16 110.14 2qag n LYS 34 Ca -0.06 0.05 -0.29 0.00 0.00 0.00 0.00 58.31 58.02 2qag n LYS 34 Cb 0.04 -1.45 0.24 0.00 0.00 0.00 0.00 35.03 33.86 2qag n LYS 34 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2qag s GLY 35 N -5.60 1.53 0.40 3.14 0.00 0.68 -4.86 107.32 102.62 2qag s GLY 35 Ca -0.18 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 44.21 2qag s GLY 35 CO 0.64 0.37 0.07 -1.36 0.00 0.00 0.00 173.10 172.83 2qag s PHE 36 N -2.64 1.92 -0.13 1.90 0.08 -1.11 -4.31 117.98 113.70 2qag s PHE 36 Ca 0.68 -1.07 0.02 0.00 0.12 0.00 0.00 56.93 56.69 2qag s PHE 36 Cb -0.21 -1.33 0.00 0.00 -0.57 0.00 0.00 43.02 40.91 2qag s PHE 36 CO 0.61 -0.04 -0.21 -2.00 -0.10 0.00 0.00 175.22 173.49 2qag s GLU 37 N -3.80 3.10 -0.12 0.44 2.12 -1.26 0.12 118.70 119.31 2qag s GLU 37 Ca 0.26 -0.83 0.03 0.00 0.36 0.00 0.00 54.97 54.78 2qag s GLU 37 Cb 0.05 -2.44 0.01 0.00 0.26 0.00 0.00 34.13 32.01 2qag s GLU 37 CO 0.13 0.08 -0.20 0.12 -0.54 0.00 0.00 175.26 174.86 2qag s PHE 38 N 0.60 2.35 -0.17 5.30 5.36 -0.59 -4.92 117.98 125.90 2qag s PHE 38 Ca -0.11 -1.10 -0.06 0.00 -0.96 0.00 0.00 56.93 54.70 2qag s PHE 38 Cb -0.16 -1.62 -0.04 0.00 -0.34 0.00 0.00 43.02 40.86 2qag s PHE 38 CO 0.03 -0.51 0.03 -0.08 -1.46 0.00 0.00 175.22 173.23 2qag s THR 39 N 0.76 4.46 0.15 0.12 -1.32 -1.08 -1.38 115.64 117.34 2qag s THR 39 Ca -0.10 -0.15 0.08 0.00 -1.21 0.00 0.00 61.69 60.31 2qag s THR 39 Cb -0.16 -2.99 -0.04 0.00 -1.51 0.00 0.00 72.50 67.80 2qag s THR 39 CO 0.01 0.47 -0.18 -1.48 -2.21 0.00 0.00 174.62 171.23 2qag s LEU 40 N 0.38 2.42 -0.25 9.08 0.05 -1.23 0.12 118.68 129.25 2qag s LEU 40 Ca 0.00 -0.84 0.03 0.00 0.05 0.00 0.00 54.13 53.38 2qag s LEU 40 Cb -0.13 -0.77 0.06 0.00 -2.05 0.00 0.00 46.19 43.29 2qag s LEU 40 CO 0.01 -0.05 -0.12 -0.32 -0.55 0.00 0.00 176.35 175.33 2qag s MET 41 N -2.70 2.27 -0.16 1.48 -2.45 0.04 -0.54 119.30 117.25 2qag s MET 41 Ca 0.13 -1.29 -0.29 0.00 -1.25 0.00 0.00 55.69 53.00 2qag s MET 41 Cb -0.06 -2.85 -0.00 0.00 1.25 0.00 0.00 34.83 33.17 2qag s MET 41 CO 0.06 -0.54 1.04 0.08 1.05 0.00 0.00 175.02 176.71 2qag s VAL 42 N 1.13 4.70 0.20 10.11 1.01 1.00 -2.52 120.40 136.02 2qag s VAL 42 Ca -0.08 2.00 0.07 0.00 0.00 0.00 0.00 61.98 63.98 2qag s VAL 42 Cb -0.19 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 2qag s VAL 42 CO -0.06 -0.08 0.06 -0.69 0.00 0.00 0.00 175.10 174.34 2qag s VAL 43 N 2.58 3.96 0.00 2.92 1.01 -0.99 0.85 120.40 130.74 2qag s VAL 43 Ca 0.47 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2qag s VAL 43 Cb -0.17 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2qag s VAL 43 CO 0.13 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.64 2qag n GLY 44 N -0.50 3.22 3.57 4.51 0.00 -1.26 -3.54 105.19 111.19 2qag n GLY 44 Ca -0.08 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 2qag n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qag s GLU 45 N -2.06 3.30 -0.00 1.61 2.02 -1.26 -4.96 118.70 117.35 2qag s GLU 45 Ca 0.00 0.11 -0.30 0.00 0.02 0.00 0.00 54.97 54.80 2qag s GLU 45 Cb 0.00 -4.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.07 2qag s GLU 45 CO 0.00 -1.98 1.09 -1.54 0.02 0.00 0.00 175.26 172.86 2qag s SER 46 N 3.82 7.20 0.00 -0.19 1.04 -1.26 -3.17 113.70 121.14 2qag s SER 46 Ca 0.43 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.64 2qag s SER 46 Cb -0.09 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2qag s SER 46 CO 0.21 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2qag n GLY 47 N 3.11 0.28 0.34 7.32 0.00 -1.26 -5.11 105.19 109.87 2qag n GLY 47 Ca 0.08 -1.13 0.08 0.00 0.00 0.00 0.00 46.02 45.05 2qag n GLY 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qag n LEU 48 N 0.00 2.72 -0.46 0.99 4.77 -1.19 -4.88 117.00 118.95 2qag n LEU 48 Ca 0.00 -3.26 0.00 0.00 -0.03 0.00 0.00 56.01 52.72 2qag n LEU 48 Cb 0.00 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 2qag n LEU 48 CO 0.00 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 2qag n GLY 49 N -1.24 0.95 0.22 -0.72 0.00 -1.26 -4.60 105.19 98.55 2qag n GLY 49 Ca 0.18 -0.62 -0.00 0.00 0.00 0.00 0.00 46.02 45.58 2qag n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qag h LYS 50 N 0.00 0.23 0.00 1.61 1.57 -1.96 0.36 116.57 118.38 2qag h LYS 50 Ca 0.00 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2qag h LYS 50 Cb 0.91 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 2qag h LYS 50 CO 0.00 0.15 -1.05 0.66 -0.57 0.00 0.00 179.45 178.64 2qag h SER 51 N 0.24 0.00 0.20 0.86 4.64 -1.99 -1.76 113.55 115.74 2qag h SER 51 Ca 0.30 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.33 2qag h SER 51 Cb 0.43 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.55 2qag h SER 51 CO -0.39 0.19 -1.30 0.00 -0.87 0.00 0.00 176.83 174.46 2qag h THR 52 N 0.00 1.30 -0.46 2.95 1.03 -1.92 -3.24 112.91 112.57 2qag h THR 52 Ca -0.05 -2.61 -0.02 0.00 -0.01 0.00 0.00 66.41 63.72 2qag h THR 52 Cb 1.19 3.04 -0.02 0.00 -1.07 0.00 0.00 68.15 71.29 2qag h THR 52 CO 0.02 0.78 0.20 0.25 -0.01 0.00 0.00 175.52 176.76 2qag h LEU 53 N -0.05 0.61 -0.62 0.00 5.85 -1.00 -3.27 115.31 116.84 2qag h LEU 53 Ca -0.24 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.34 2qag h LEU 53 Cb 1.97 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.81 2qag h LEU 53 CO 0.21 0.59 0.39 -0.29 -0.34 0.00 0.00 178.44 179.01 2qag h ILE 54 N 0.60 1.17 -0.09 4.05 6.09 -1.45 0.26 117.51 128.14 2qag h ILE 54 Ca 0.16 -0.34 -0.02 0.00 -1.37 0.00 0.00 64.86 63.29 2qag h ILE 54 Cb 0.15 0.28 -0.01 0.00 0.47 0.00 0.00 36.82 37.72 2qag h ILE 54 CO -0.02 0.17 -0.04 0.78 -3.07 0.00 0.00 178.15 175.97 2qag h ASN 55 N 0.84 0.11 0.07 2.19 2.35 -1.57 0.69 115.58 120.26 2qag h ASN 55 Ca 0.22 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 2qag h ASN 55 Cb -0.07 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.27 2qag h ASN 55 CO -0.05 0.17 -1.94 -0.24 -1.65 0.00 0.00 177.43 173.73 2qag n SER 56 N -4.42 0.06 0.04 5.81 2.88 -0.83 0.40 113.62 117.56 2qag n SER 56 Ca -0.02 0.02 0.16 0.00 -1.33 0.00 0.00 58.87 57.71 2qag n SER 56 Cb 0.16 1.86 0.65 0.00 -0.75 0.00 0.00 64.21 66.13 2qag n SER 56 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2qag h LEU 57 N 0.00 0.06 -0.44 2.46 5.85 -0.23 -3.32 115.31 119.69 2qag h LEU 57 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2qag h LEU 57 Cb 1.04 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2qag h LEU 57 CO 0.00 0.04 -0.33 0.49 -0.34 0.00 0.00 178.44 178.29 2qag n PHE 58 N -4.43 0.00 -4.50 1.25 3.72 0.24 -4.96 117.46 108.78 2qag n PHE 58 Ca 0.07 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.06 2qag n PHE 58 Cb 0.47 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.92 2qag n PHE 58 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2qag n LEU 59 N -0.66 -0.85 0.00 4.37 7.94 1.31 -4.87 117.00 124.24 2qag n LEU 59 Ca 0.03 -1.25 0.03 0.00 -1.11 0.00 0.00 56.01 53.72 2qag n LEU 59 Cb 0.20 -1.59 0.01 0.00 0.53 0.00 0.00 43.42 42.57 2qag n LEU 59 CO 0.17 0.16 0.85 1.07 -1.11 0.00 0.00 177.39 178.52 2qag n THR 60 N -4.12 0.00 -4.12 1.96 5.66 0.91 -4.95 114.28 109.61 2qag n THR 60 Ca 0.05 -0.01 -0.11 0.00 -3.05 0.00 0.00 64.05 60.93 2qag n THR 60 Cb 0.49 0.36 -0.08 0.00 -1.55 0.00 0.00 70.33 69.54 2qag n THR 60 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2qag s ASP 61 N -3.11 0.08 0.00 1.09 -4.77 -1.26 -3.14 116.67 105.57 2qag s ASP 61 Ca 0.23 -1.20 0.00 0.00 -3.30 0.00 0.00 52.55 48.28 2qag s ASP 61 Cb -0.00 0.44 0.00 0.00 -1.09 0.00 0.00 42.92 42.27 2qag s ASP 61 CO -0.02 -0.92 0.00 0.18 0.70 0.00 0.00 175.17 175.11 2qag n LEU 62 N -0.29 0.00 -2.02 2.11 4.77 -1.26 -5.03 117.00 115.28 2qag n LEU 62 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2qag n LEU 62 Cb 0.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 2qag n LEU 62 CO 0.29 0.00 0.00 1.07 -1.33 0.00 0.00 177.39 177.42 2qag n THR 78 N 0.00 0.00 -4.23 -5.08 5.66 -1.26 -5.17 114.28 104.20 2qag n THR 78 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 2qag n THR 78 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 2qag n THR 78 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2qag s VAL 79 N 0.00 0.47 0.23 1.08 0.11 -1.26 -3.33 120.40 117.71 2qag s VAL 79 Ca 0.00 -1.97 -0.04 0.00 -2.93 0.00 0.00 61.98 57.04 2qag s VAL 79 Cb 0.00 -2.23 -0.03 0.00 -1.53 0.00 0.00 36.38 32.59 2qag s VAL 79 CO 0.00 -0.35 0.25 -1.10 -3.33 0.00 0.00 175.10 170.57 2qag s GLN 80 N -3.99 1.37 0.02 1.54 -1.52 -0.99 -4.92 119.66 111.17 2qag s GLN 80 Ca 0.28 -1.56 0.02 0.00 -1.95 0.00 0.00 55.36 52.14 2qag s GLN 80 Cb 0.07 0.34 -0.01 0.00 -0.22 0.00 0.00 33.01 33.18 2qag s GLN 80 CO 0.06 -0.50 -0.06 0.96 -0.25 0.00 0.00 175.29 175.51 2qag s ILE 81 N -4.01 0.41 -0.21 1.08 -5.25 -1.26 -0.93 121.20 111.03 2qag s ILE 81 Ca 0.34 -0.60 -0.03 0.00 -0.99 0.00 0.00 60.65 59.38 2qag s ILE 81 Cb 0.04 -0.42 0.07 0.00 2.95 0.00 0.00 42.46 45.10 2qag s ILE 81 CO 0.13 -0.13 0.07 -1.61 -1.79 0.00 0.00 174.94 171.60 2qag s GLU 82 N -0.79 0.46 -0.09 0.37 0.41 0.16 -4.95 118.70 114.28 2qag s GLU 82 Ca -0.04 -0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.09 2qag s GLU 82 Cb -0.06 -1.92 0.02 0.00 -1.78 0.00 0.00 34.13 30.40 2qag s GLU 82 CO 0.00 -0.73 -0.08 0.00 -0.49 0.00 0.00 175.26 173.96 2qag s ALA 83 N 1.93 1.21 -0.20 5.21 0.00 -1.19 0.19 121.76 128.91 2qag s ALA 83 Ca 0.02 -0.45 -0.36 0.00 0.00 0.00 0.00 51.96 51.18 2qag s ALA 83 Cb -0.17 -0.79 0.15 0.00 0.00 0.00 0.00 23.12 22.31 2qag s ALA 83 CO -0.14 -0.28 1.36 -1.54 0.00 0.00 0.00 175.76 175.16 2qag s SER 84 N 1.46 -0.04 0.09 0.00 1.04 -0.26 -4.95 113.70 111.05 2qag s SER 84 Ca -0.00 -0.02 -0.18 0.00 0.48 0.00 0.00 55.95 56.23 2qag s SER 84 Cb -0.13 0.05 0.04 0.00 0.10 0.00 0.00 66.02 66.08 2qag s SER 84 CO -0.05 -0.09 0.43 0.28 0.98 0.00 0.00 173.24 174.80 2qag s THR 85 N -2.14 0.06 0.16 2.02 -1.32 -1.26 -0.51 115.64 112.64 2qag s THR 85 Ca 0.12 -0.47 -0.23 0.00 -1.21 0.00 0.00 61.69 59.91 2qag s THR 85 Cb 0.02 -1.07 0.07 0.00 -1.51 0.00 0.00 72.50 70.01 2qag s THR 85 CO -0.04 -0.26 0.60 -0.69 -2.21 0.00 0.00 174.62 172.02 2qag s VAL 86 N -3.24 0.00 -0.51 5.08 1.01 -1.12 -4.99 120.40 116.64 2qag s VAL 86 Ca -0.01 -0.04 -0.35 0.00 0.00 0.00 0.00 61.98 61.58 2qag s VAL 86 Cb 0.01 -1.03 -0.14 0.00 0.00 0.00 0.00 36.38 35.22 2qag s VAL 86 CO -0.08 -0.01 2.30 1.21 0.00 0.00 0.00 175.10 178.52 2qag n GLU 87 N -0.38 0.69 -4.15 2.72 0.00 -1.26 -1.16 120.64 117.10 2qag n GLU 87 Ca -0.17 0.15 -0.12 0.00 0.00 0.00 0.00 57.16 57.02 2qag n GLU 87 Cb 0.65 -2.24 -0.08 0.00 0.00 0.00 0.00 31.44 29.77 2qag n GLU 87 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2qag s GLY 92 N 7.97 1.34 0.01 8.31 0.00 -1.26 -5.18 107.32 118.51 2qag s GLY 92 Ca 1.15 -1.54 -0.25 0.00 0.00 0.00 0.00 44.72 44.08 2qag s GLY 92 CO 0.49 -1.19 0.55 0.54 0.00 0.00 0.00 173.10 173.50 2qag s VAL 93 N -3.93 0.02 -0.12 1.40 0.11 -0.31 -2.76 120.40 114.82 2qag s VAL 93 Ca 0.35 -0.17 -0.04 0.00 -2.93 0.00 0.00 61.98 59.18 2qag s VAL 93 Cb 0.04 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 2qag s VAL 93 CO 0.14 -0.10 0.05 -1.59 -3.33 0.00 0.00 175.10 170.28 2qag s LYS 94 N -1.88 3.33 -0.23 1.54 0.00 0.33 -2.81 119.74 120.03 2qag s LYS 94 Ca -0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 55.97 55.56 2qag s LYS 94 Cb -0.01 -3.00 0.02 0.00 0.00 0.00 0.00 37.83 34.84 2qag s LYS 94 CO 0.03 0.63 -0.09 -0.51 0.00 0.00 0.00 175.35 175.41 2qag s LEU 95 N -0.65 2.90 -0.30 2.77 1.43 0.33 -1.54 118.68 123.63 2qag s LEU 95 Ca 0.11 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.42 2qag s LEU 95 Cb -0.12 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.49 2qag s LEU 95 CO 0.02 -0.08 0.04 0.00 0.23 0.00 0.00 176.35 176.57 2qag s ARG 96 N 1.34 2.80 -0.16 1.70 3.03 -0.48 -1.10 118.95 126.08 2qag s ARG 96 Ca 0.02 -1.03 -0.04 0.00 2.03 0.00 0.00 55.73 56.71 2qag s ARG 96 Cb -0.15 -3.28 0.07 0.00 -1.03 0.00 0.00 34.95 30.56 2qag s ARG 96 CO -0.06 -0.52 0.20 -1.17 -1.13 0.00 0.00 175.30 172.62 2qag s LEU 97 N 1.40 -0.09 -0.14 -1.89 0.20 0.51 -2.65 118.68 116.02 2qag s LEU 97 Ca -0.00 0.02 -0.05 0.00 0.69 0.00 0.00 54.13 54.79 2qag s LEU 97 Cb -0.18 0.35 -0.04 0.00 -0.43 0.00 0.00 46.19 45.89 2qag s LEU 97 CO 0.00 -0.29 0.05 0.28 -0.29 0.00 0.00 176.35 176.10 2qag s THR 98 N 2.32 4.69 -0.03 3.68 -1.32 0.30 0.40 115.64 125.68 2qag s THR 98 Ca 0.05 -0.08 -0.02 0.00 -1.21 0.00 0.00 61.69 60.42 2qag s THR 98 Cb -0.14 -3.06 -0.04 0.00 -1.51 0.00 0.00 72.50 67.76 2qag s THR 98 CO -0.10 0.54 0.09 -0.69 -2.21 0.00 0.00 174.62 172.26 2qag s VAL 99 N -0.27 4.89 0.10 5.08 1.01 -0.10 -0.00 120.40 131.10 2qag s VAL 99 Ca 0.08 -0.26 -0.31 0.00 0.00 0.00 0.00 61.98 61.49 2qag s VAL 99 Cb -0.12 -3.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.98 2qag s VAL 99 CO 0.02 0.42 1.37 -0.69 0.00 0.00 0.00 175.10 176.22 2qag s VAL 100 N -1.14 3.41 -0.21 2.92 1.01 0.25 -2.35 120.40 124.28 2qag s VAL 100 Ca 0.21 1.00 0.10 0.00 0.00 0.00 0.00 61.98 63.29 2qag s VAL 100 Cb -0.12 -3.64 0.21 0.00 0.00 0.00 0.00 36.38 32.83 2qag s VAL 100 CO 0.11 0.07 1.15 -0.90 0.00 0.00 0.00 175.10 175.53 2qag n ASP 101 N 4.04 2.52 -3.29 3.32 5.75 -1.21 -4.88 116.55 122.80 2qag n ASP 101 Ca 0.11 -2.48 -0.37 0.00 -0.01 0.00 0.00 54.79 52.04 2qag n ASP 101 Cb 0.43 -0.25 -0.02 0.00 -1.03 0.00 0.00 41.12 40.26 2qag n ASP 101 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qag n LYS 116 N -0.63 4.18 0.32 0.11 4.01 -1.26 -4.99 118.16 119.90 2qag n LYS 116 Ca 0.10 -3.24 0.20 0.00 -0.51 0.00 0.00 58.31 54.85 2qag n LYS 116 Cb 0.49 -2.53 1.09 0.00 -0.51 0.00 0.00 35.03 33.56 2qag n LYS 116 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qag h THR 117 N 2.48 0.18 0.00 -0.18 1.03 -2.05 -3.36 112.91 111.01 2qag h THR 117 Ca 0.64 -0.06 -0.21 0.00 -0.01 0.00 0.00 66.41 66.78 2qag h THR 117 Cb 0.39 1.05 -0.03 0.00 -1.07 0.00 0.00 68.15 68.48 2qag h THR 117 CO 1.36 0.01 -0.98 0.40 -0.01 0.00 0.00 175.52 176.29 2qag h ILE 118 N 0.00 1.70 0.00 0.00 2.04 -2.02 -3.09 117.51 116.14 2qag h ILE 118 Ca -0.00 -3.38 0.00 0.00 1.00 0.00 0.00 64.86 62.48 2qag h ILE 118 Cb 0.05 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 2qag h ILE 118 CO 0.00 0.96 0.00 -0.38 0.00 0.00 0.00 178.15 178.73 2qag n ILE 119 N -3.36 0.85 -0.05 -0.67 5.41 -1.26 -0.33 119.36 119.95 2qag n ILE 119 Ca 0.00 0.31 -0.08 0.00 1.00 0.00 0.00 62.75 63.98 2qag n ILE 119 Cb 0.93 -1.26 -0.02 0.00 -0.71 0.00 0.00 39.64 38.58 2qag n ILE 119 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 2qag h SER 120 N 0.00 -0.07 0.66 4.38 0.87 -1.82 -3.25 113.55 114.31 2qag h SER 120 Ca 0.00 0.05 -0.21 0.00 -1.23 0.00 0.00 61.79 60.39 2qag h SER 120 Cb 0.31 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 2qag h SER 120 CO 0.00 -0.01 -0.97 1.88 -0.53 0.00 0.00 176.83 177.21 2qag h TYR 121 N 0.08 0.29 -0.58 2.24 0.05 -0.87 1.88 116.97 120.07 2qag h TYR 121 Ca 0.11 -0.18 -0.03 0.00 0.05 0.00 0.00 58.73 58.68 2qag h TYR 121 Cb 0.14 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 2qag h TYR 121 CO -0.18 1.04 0.24 -0.84 -1.05 0.00 0.00 178.16 177.37 2qag h ILE 122 N 0.09 1.22 0.00 -2.88 3.07 -1.70 -2.17 117.51 115.13 2qag h ILE 122 Ca -0.06 -0.68 0.00 0.00 1.55 0.00 0.00 64.86 65.67 2qag h ILE 122 Cb 1.64 0.59 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 2qag h ILE 122 CO 0.15 0.27 -0.67 -0.78 -1.05 0.00 0.00 178.15 176.06 2qag h ASP 123 N 0.79 0.00 -0.30 2.16 3.58 -1.44 0.47 116.42 121.68 2qag h ASP 123 Ca 0.19 -0.18 0.03 0.00 0.42 0.00 0.00 57.03 57.49 2qag h ASP 123 Cb 0.19 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 2qag h ASP 123 CO -0.02 0.09 0.21 -0.08 -2.88 0.00 0.00 179.24 176.56 2qag h GLU 124 N 0.00 0.26 0.00 0.28 4.57 0.29 0.15 114.58 120.13 2qag h GLU 124 Ca 0.00 -0.02 -0.32 0.00 -1.18 0.00 0.00 59.36 57.85 2qag h GLU 124 Cb 0.79 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.26 2qag h GLU 124 CO 0.00 0.17 -1.95 1.04 -1.18 0.00 0.00 179.01 177.09 2qag n GLN 125 N -4.49 0.65 0.11 1.92 1.13 -0.35 -3.10 117.38 113.26 2qag n GLN 125 Ca 0.03 0.18 0.13 0.00 -1.94 0.00 0.00 57.00 55.40 2qag n GLN 125 Cb 0.18 -1.69 0.37 0.00 0.11 0.00 0.00 30.24 29.20 2qag n GLN 125 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 2qag h PHE 126 N 0.00 0.00 -0.55 1.08 -1.00 -0.17 -2.35 116.94 113.96 2qag h PHE 126 Ca -0.38 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.40 2qag h PHE 126 Cb 2.08 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 41.62 2qag h PHE 126 CO 0.00 0.00 0.32 1.49 -1.61 0.00 0.00 178.31 178.51 2qag h GLU 127 N 0.00 0.75 0.01 1.51 4.57 -0.74 -3.30 114.58 117.39 2qag h GLU 127 Ca 0.00 -0.07 -0.35 0.00 -1.18 0.00 0.00 59.36 57.76 2qag h GLU 127 Cb 0.76 -0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 29.14 2qag h GLU 127 CO 0.00 0.55 -2.15 0.54 -1.18 0.00 0.00 179.01 176.77 2qag n ARG 128 N -4.65 0.67 -0.16 1.92 3.00 -1.08 0.19 116.66 116.56 2qag n ARG 128 Ca 0.03 0.13 -0.04 0.00 -0.01 0.00 0.00 57.85 57.96 2qag n ARG 128 Cb 0.06 -1.62 -0.04 0.00 0.00 0.00 0.00 32.46 30.86 2qag n ARG 128 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 2qag n TYR 129 N -2.99 -0.16 1.01 -1.55 -0.00 -0.91 -3.49 117.16 109.07 2qag n TYR 129 Ca -0.30 0.47 0.11 0.00 -0.00 0.00 0.00 57.90 58.18 2qag n TYR 129 Cb 1.09 -0.45 0.05 0.00 -0.00 0.00 0.00 39.34 40.03 2qag n TYR 129 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.86 176.75 2qag n LEU 130 N -3.92 0.83 0.16 -3.48 0.00 -0.86 -3.06 117.00 106.66 2qag n LEU 130 Ca 0.01 -0.29 -0.14 0.00 0.00 0.00 0.00 56.01 55.58 2qag n LEU 130 Cb 0.10 -0.11 -0.08 0.00 0.00 0.00 0.00 43.42 43.33 2qag n LEU 130 CO -0.06 0.20 0.67 -0.74 0.00 0.00 0.00 177.39 177.46 2qag h HIS 131 N 0.11 -0.34 0.00 1.96 2.76 -0.34 -3.30 115.15 116.00 2qag h HIS 131 Ca 0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2qag h HIS 131 Cb 0.51 0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.58 2qag h HIS 131 CO 0.00 -0.09 0.00 -0.44 -1.30 0.00 0.00 177.93 176.10 2qag h ASP 132 N -0.56 0.00 0.05 3.26 3.32 -1.58 -3.27 116.42 117.64 2qag h ASP 132 Ca -0.04 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.73 2qag h ASP 132 Cb 0.41 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.98 2qag h ASP 132 CO 0.06 0.00 -1.12 -0.33 -1.72 0.00 0.00 179.24 176.13 2qag h GLU 133 N 0.00 0.67 -4.23 3.56 3.07 -1.62 5.43 114.58 121.47 2qag h GLU 133 Ca 0.00 -0.79 -0.67 0.00 -0.50 0.00 0.00 59.36 57.40 2qag h GLU 133 Cb 0.67 0.24 0.01 0.00 -0.84 0.00 0.00 28.75 28.84 2qag h GLU 133 CO 0.00 1.35 2.67 0.43 -1.40 0.00 0.00 179.01 182.06 2qag n SER 134 N -3.84 3.23 0.00 1.42 7.64 -1.25 -4.70 113.62 116.12 2qag n SER 134 Ca -0.12 -2.73 0.00 0.00 1.01 0.00 0.00 58.87 57.03 2qag n SER 134 Cb 0.92 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 2qag n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qag n GLY 135 N 4.32 1.86 0.41 0.23 0.00 1.77 -4.86 105.19 108.92 2qag n GLY 135 Ca 0.51 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.41 2qag n GLY 135 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qag h LEU 136 N 0.00 -1.49 -7.96 0.99 4.07 -1.84 -3.46 115.31 105.62 2qag h LEU 136 Ca 0.00 0.21 -0.16 0.00 0.08 0.00 0.00 57.88 58.01 2qag h LEU 136 Cb 0.00 0.62 -0.20 0.00 1.08 0.00 0.00 40.66 42.16 2qag h LEU 136 CO 0.00 -0.40 -0.65 0.20 -1.08 0.00 0.00 178.44 176.50 2qag s ASN 137 N -4.99 0.23 -0.22 -0.43 -0.87 -1.26 -5.15 114.94 102.25 2qag s ASN 137 Ca -0.15 -0.50 -0.09 0.00 -1.57 0.00 0.00 52.86 50.55 2qag s ASN 137 Cb 0.10 0.13 0.09 0.00 -0.02 0.00 0.00 41.25 41.56 2qag s ASN 137 CO 0.64 -0.35 0.49 -0.13 -2.57 0.00 0.00 177.10 175.18 2qag s ARG 138 N -1.75 0.42 0.00 -0.60 0.52 -1.26 -4.93 118.95 111.34 2qag s ARG 138 Ca -0.13 1.11 0.00 0.00 -0.52 0.00 0.00 55.73 56.19 2qag s ARG 138 Cb -0.07 0.39 0.00 0.00 0.52 0.00 0.00 34.95 35.78 2qag s ARG 138 CO -0.02 -0.22 0.00 0.54 0.02 0.00 0.00 175.30 175.62 2qag n ARG 139 N 5.16 0.00 0.00 3.54 3.00 -1.26 -5.16 116.66 121.93 2qag n ARG 139 Ca -0.12 0.13 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2qag n ARG 139 Cb 0.51 -0.54 0.00 0.00 0.00 0.00 0.00 32.46 32.43 2qag n ARG 139 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2qag n ILE 141 N -2.03 0.00 -4.23 0.55 -6.64 -1.26 -5.25 119.36 100.50 2qag n ILE 141 Ca 0.00 0.00 -0.15 0.00 -1.77 0.00 0.00 62.75 60.83 2qag n ILE 141 Cb 0.00 0.00 -0.11 0.00 -1.44 0.00 0.00 39.64 38.09 2qag n ILE 141 CO 0.00 0.00 0.00 0.27 -1.77 0.00 0.00 176.55 175.05 2qag s ILE 142 N -0.48 1.15 -0.01 7.28 -4.36 -1.26 -5.14 121.20 118.39 2qag s ILE 142 Ca 0.00 -1.85 0.06 0.00 -0.26 0.00 0.00 60.65 58.59 2qag s ILE 142 Cb 0.00 -1.63 -0.02 0.00 1.25 0.00 0.00 42.46 42.07 2qag s ILE 142 CO 0.00 -0.61 -0.18 1.51 0.24 0.00 0.00 174.94 175.90 2qag s ASP 143 N -2.78 2.12 -1.20 4.36 -4.77 -1.26 -4.62 116.67 108.53 2qag s ASP 143 Ca 0.12 -0.35 -0.12 0.00 -3.30 0.00 0.00 52.55 48.90 2qag s ASP 143 Cb -0.01 -0.23 0.20 0.00 -1.09 0.00 0.00 42.92 41.79 2qag s ASP 143 CO 0.01 0.21 1.43 0.59 0.70 0.00 0.00 175.17 178.11 2qag n ASN 144 N 2.54 5.31 -4.88 2.11 3.02 -1.26 -5.06 115.26 117.05 2qag n ASN 144 Ca -0.15 -3.02 -0.30 0.00 -0.03 0.00 0.00 54.58 51.07 2qag n ASN 144 Cb 0.54 -1.51 -0.04 0.00 -0.61 0.00 0.00 39.78 38.16 2qag n ASN 144 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2qag s ARG 145 N 0.70 3.77 -0.93 3.52 3.00 -1.26 -4.64 118.95 123.11 2qag s ARG 145 Ca 0.40 0.39 -0.22 0.00 0.00 0.00 0.00 55.73 56.30 2qag s ARG 145 Cb -0.02 -2.46 0.08 0.00 0.00 0.00 0.00 34.95 32.55 2qag s ARG 145 CO -0.01 0.05 1.29 0.08 0.00 0.00 0.00 175.30 176.71 2qag s VAL 146 N -2.25 4.20 0.26 3.52 1.01 -1.26 -4.46 120.40 121.41 2qag s VAL 146 Ca 0.50 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.62 2qag s VAL 146 Cb -0.10 -4.92 0.03 0.00 0.00 0.00 0.00 36.38 31.38 2qag s VAL 146 CO 0.29 -1.75 1.66 0.45 0.00 0.00 0.00 175.10 175.75 2qag h HIS 147 N 9.49 0.52 -4.17 5.22 3.86 0.72 -3.43 115.15 127.36 2qag h HIS 147 Ca 0.10 -0.14 -0.29 0.00 -1.16 0.00 0.00 60.37 58.88 2qag h HIS 147 Cb 1.02 -0.12 -0.08 0.00 1.06 0.00 0.00 27.41 29.29 2qag h HIS 147 CO 1.20 0.75 -0.21 0.00 0.86 0.00 0.00 177.93 180.54 2qag s PHE 150 N -2.08 3.32 -0.00 0.00 0.40 -1.05 0.21 117.98 118.77 2qag s PHE 150 Ca 0.27 0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.68 2qag s PHE 150 Cb -0.07 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.85 2qag s PHE 150 CO 0.14 0.53 0.00 -0.47 0.70 0.00 0.00 175.22 176.12 2qag s TYR 151 N -1.65 0.03 -0.27 0.36 6.04 -0.33 -2.34 117.35 119.18 2qag s TYR 151 Ca 0.32 0.02 0.02 0.00 0.04 0.00 0.00 57.07 57.47 2qag s TYR 151 Cb -0.11 -0.06 0.07 0.00 -1.04 0.00 0.00 41.96 40.82 2qag s TYR 151 CO 0.25 -0.02 -0.05 -0.06 -1.54 0.00 0.00 175.55 174.14 2qag s PHE 152 N 0.18 3.00 1.08 4.97 0.40 -1.23 -0.15 117.98 126.23 2qag s PHE 152 Ca -0.01 -2.26 -0.17 0.00 -0.60 0.00 0.00 56.93 53.89 2qag s PHE 152 Cb -0.02 -2.02 0.23 0.00 0.51 0.00 0.00 43.02 41.72 2qag s PHE 152 CO -0.00 -0.86 1.18 0.96 0.70 0.00 0.00 175.22 177.19 2qag s ILE 153 N 1.18 1.80 0.67 0.64 -0.00 -1.13 -4.03 121.20 120.34 2qag s ILE 153 Ca -0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 60.65 60.49 2qag s ILE 153 Cb -0.19 -2.68 0.00 0.00 -0.00 0.00 0.00 42.46 39.59 2qag s ILE 153 CO -0.07 0.00 1.08 -0.94 -0.00 0.00 0.00 174.94 175.00 2qag s SER 154 N -4.20 5.25 0.22 4.36 1.04 -1.26 -4.38 113.70 114.73 2qag s SER 154 Ca 0.71 1.80 -0.08 0.00 0.48 0.00 0.00 55.95 58.86 2qag s SER 154 Cb -0.09 -2.52 0.33 0.00 0.10 0.00 0.00 66.02 63.83 2qag s SER 154 CO 0.55 -1.53 1.75 1.55 0.98 0.00 0.00 173.24 176.53 2qag h PRO 155 N -0.31 0.45 -6.66 4.02 0.13 -1.83 -3.45 132.00 124.35 2qag h PRO 155 Ca -0.45 -0.03 -0.50 0.00 -0.87 0.00 0.00 66.00 64.15 2qag h PRO 155 Cb 1.23 -0.10 0.03 0.00 0.13 0.00 0.00 31.00 32.28 2qag h PRO 155 CO 0.55 0.29 -0.08 -0.06 -0.23 0.00 0.00 178.00 178.48 2qag s PHE 156 N -6.07 1.21 -1.47 1.56 0.08 -1.26 -4.78 117.98 107.25 2qag s PHE 156 Ca -0.13 -0.77 -0.04 0.00 0.12 0.00 0.00 56.93 56.11 2qag s PHE 156 Cb 0.18 -2.18 0.00 0.00 -0.57 0.00 0.00 43.02 40.45 2qag s PHE 156 CO 0.75 -1.25 0.19 0.41 -0.10 0.00 0.00 175.22 175.22 2qag n GLY 157 N -2.29 -0.23 3.74 4.36 0.00 -1.26 -4.80 105.19 104.70 2qag n GLY 157 Ca 0.16 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.38 2qag n GLY 157 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qag n HIS 158 N -4.58 0.00 -0.24 1.61 8.25 -1.26 -4.90 115.22 114.10 2qag n HIS 158 Ca -0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 2qag n HIS 158 Cb 0.68 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.79 2qag n HIS 158 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qag n GLY 159 N 0.00 -2.31 3.36 -1.41 0.00 -1.26 -4.93 105.19 98.64 2qag n GLY 159 Ca 0.00 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 2qag n GLY 159 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qag s LEU 160 N 0.00 2.25 -0.03 0.99 0.20 -1.26 -4.96 118.68 115.87 2qag s LEU 160 Ca 0.00 -0.50 -0.15 0.00 0.69 0.00 0.00 54.13 54.17 2qag s LEU 160 Cb 0.00 -1.36 -0.05 0.00 -0.43 0.00 0.00 46.19 44.35 2qag s LEU 160 CO 0.00 0.28 0.40 -0.54 -0.29 0.00 0.00 176.35 176.20 2qag s LYS 161 N -1.06 3.99 0.40 1.98 1.02 -1.26 -4.83 119.74 119.98 2qag s LYS 161 Ca 0.12 0.38 0.17 0.00 0.02 0.00 0.00 55.97 56.66 2qag s LYS 161 Cb -0.10 -3.27 1.07 0.00 -0.52 0.00 0.00 37.83 35.01 2qag s LYS 161 CO 0.02 0.59 1.79 -1.00 -0.92 0.00 0.00 175.35 175.82 2qag h PRO 162 N 5.14 0.41 0.07 -1.68 0.13 -1.98 3.67 132.00 137.77 2qag h PRO 162 Ca -0.49 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2qag h PRO 162 Cb 1.21 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2qag h PRO 162 CO 0.64 0.27 -0.03 1.25 -0.23 0.00 0.00 178.00 179.90 2qag h LEU 163 N 0.43 -0.08 -0.73 1.56 7.12 -1.98 -2.10 115.31 119.52 2qag h LEU 163 Ca 0.56 -0.03 0.04 0.00 0.13 0.00 0.00 57.88 58.58 2qag h LEU 163 Cb 1.38 0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 41.48 2qag h LEU 163 CO -0.27 -0.03 0.45 0.44 -0.13 0.00 0.00 178.44 178.90 2qag h ASP 164 N -0.13 0.73 -0.18 1.25 5.19 0.63 -0.25 116.42 123.67 2qag h ASP 164 Ca -0.01 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 2qag h ASP 164 Cb 0.10 -0.15 -0.05 0.00 0.18 0.00 0.00 39.33 39.42 2qag h ASP 164 CO 0.02 0.50 -0.12 0.58 -3.12 0.00 0.00 179.24 177.09 2qag h VAL 165 N 0.87 0.65 0.00 -1.35 2.07 -0.00 1.73 116.25 120.22 2qag h VAL 165 Ca 0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.82 2qag h VAL 165 Cb 0.06 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2qag h VAL 165 CO -0.13 0.00 -1.10 0.00 0.02 0.00 0.00 177.57 176.37 2qag n ALA 166 N -2.53 3.39 0.07 1.67 0.00 -0.81 0.16 120.51 122.46 2qag n ALA 166 Ca -0.02 -0.41 -0.13 0.00 0.00 0.00 0.00 53.44 52.88 2qag n ALA 166 Cb 0.19 -0.95 -0.07 0.00 0.00 0.00 0.00 19.45 18.62 2qag n ALA 166 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2qag h PHE 167 N 0.00 -0.08 0.00 0.00 3.57 -0.93 -3.31 116.94 116.19 2qag h PHE 167 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2qag h PHE 167 Cb 0.75 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.52 2qag h PHE 167 CO 0.00 -0.03 0.00 0.52 -2.23 0.00 0.00 178.31 176.57 2qag h MET 168 N -0.11 0.00 0.37 1.11 2.86 0.51 -2.39 114.93 117.28 2qag h MET 168 Ca -0.01 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 2qag h MET 168 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2qag h MET 168 CO 0.01 0.00 -0.18 -0.22 1.06 0.00 0.00 176.91 177.59 2qag h LYS 169 N 0.00 -0.47 -0.25 1.72 3.64 0.13 -3.40 116.57 117.95 2qag h LYS 169 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2qag h LYS 169 Cb 0.78 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2qag h LYS 169 CO 0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 179.45 177.02 2qag n ALA 170 N -2.60 2.46 1.04 5.00 0.00 -1.16 -3.65 120.51 121.61 2qag n ALA 170 Ca -0.09 -0.79 0.11 0.00 0.00 0.00 0.00 53.44 52.67 2qag n ALA 170 Cb 0.27 -0.93 0.10 0.00 0.00 0.00 0.00 19.45 18.90 2qag n ALA 170 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2qag n ILE 171 N 1.12 0.00 0.56 0.00 3.06 -0.91 -4.78 119.36 118.42 2qag n ILE 171 Ca 0.18 -0.07 0.06 0.00 -2.50 0.00 0.00 62.75 60.42 2qag n ILE 171 Cb 0.53 0.70 0.19 0.00 0.54 0.00 0.00 39.64 41.60 2qag n ILE 171 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2qag n HIS 172 N -1.10 0.64 -2.28 9.51 1.44 -1.24 -0.00 115.22 122.20 2qag n HIS 172 Ca 0.07 -0.30 0.03 0.00 -2.01 0.00 0.00 57.72 55.51 2qag n HIS 172 Cb 0.36 -0.04 0.07 0.00 0.12 0.00 0.00 29.99 30.50 2qag n HIS 172 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 2qag n ASN 173 N 0.69 1.38 0.00 4.39 5.03 -1.26 -4.58 115.26 120.91 2qag n ASN 173 Ca 0.14 -2.57 0.00 0.00 0.87 0.00 0.00 54.58 53.03 2qag n ASN 173 Cb 0.41 -0.38 0.00 0.00 -1.02 0.00 0.00 39.78 38.79 2qag n ASN 173 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 2qag n VAL 175 N -0.07 0.00 -3.50 2.41 0.31 1.00 -5.01 118.33 113.48 2qag n VAL 175 Ca 0.11 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.15 2qag n VAL 175 Cb 0.99 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.80 2qag n VAL 175 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2qag s ASN 176 N 0.72 3.04 0.03 4.52 0.02 -1.26 -4.95 114.94 117.06 2qag s ASN 176 Ca 0.00 -2.27 -0.23 0.00 -1.02 0.00 0.00 52.86 49.34 2qag s ASN 176 Cb 0.00 -0.50 -0.05 0.00 0.02 0.00 0.00 41.25 40.72 2qag s ASN 176 CO 0.00 -0.30 0.71 -0.63 0.02 0.00 0.00 177.10 176.90 2qag s ILE 177 N 0.94 4.78 -0.48 0.60 1.09 -1.24 0.54 121.20 127.42 2qag s ILE 177 Ca 0.18 1.51 -0.15 0.00 -1.10 0.00 0.00 60.65 61.09 2qag s ILE 177 Cb -0.23 -4.05 0.09 0.00 -1.06 0.00 0.00 42.46 37.21 2qag s ILE 177 CO 0.00 0.39 0.41 -0.69 -0.10 0.00 0.00 174.94 174.95 2qag s VAL 178 N -0.13 5.09 0.83 2.92 1.01 0.13 -2.90 120.40 127.35 2qag s VAL 178 Ca 0.36 -1.24 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 2qag s VAL 178 Cb -0.20 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 2qag s VAL 178 CO 0.21 -0.65 0.50 -0.81 0.00 0.00 0.00 175.10 174.35 2qag n PRO 179 N 5.18 0.03 -3.62 2.72 -0.04 -1.25 -1.18 135.00 136.83 2qag n PRO 179 Ca -0.12 0.06 -0.06 0.00 -0.04 0.00 0.00 63.50 63.33 2qag n PRO 179 Cb 0.43 -1.87 -0.02 0.00 -0.04 0.00 0.00 33.50 32.00 2qag n PRO 179 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2qag s VAL 180 N -2.14 0.00 -0.16 0.52 0.11 0.79 -4.77 120.40 114.75 2qag s VAL 180 Ca 0.62 -0.31 0.01 0.00 -2.93 0.00 0.00 61.98 59.37 2qag s VAL 180 Cb -0.28 -1.47 0.01 0.00 -1.53 0.00 0.00 36.38 33.11 2qag s VAL 180 CO 0.62 0.00 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.56 2qag s ILE 181 N -3.21 2.17 0.20 7.04 1.09 -1.17 -2.82 121.20 124.50 2qag s ILE 181 Ca 0.08 -0.92 -0.04 0.00 -1.10 0.00 0.00 60.65 58.67 2qag s ILE 181 Cb -0.01 -1.89 -0.05 0.00 -1.06 0.00 0.00 42.46 39.44 2qag s ILE 181 CO -0.04 0.54 0.44 0.00 -0.10 0.00 0.00 174.94 175.78 2qag s ALA 182 N 1.04 3.74 -1.18 9.38 0.00 -1.26 -1.11 121.76 132.37 2qag s ALA 182 Ca -0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 51.96 51.30 2qag s ALA 182 Cb -0.14 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 2qag s ALA 182 CO -0.06 0.49 0.86 1.17 0.00 0.00 0.00 175.76 178.22 2qag n LYS 183 N -0.37 -4.18 -1.56 0.00 3.00 -0.94 -3.62 118.16 110.49 2qag n LYS 183 Ca -0.03 0.74 -0.35 0.00 -0.00 0.00 0.00 58.31 58.68 2qag n LYS 183 Cb 0.53 -5.44 0.06 0.00 0.00 0.00 0.00 35.03 30.18 2qag n LYS 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qag n ALA 184 N -3.92 6.21 -0.24 3.14 0.00 -1.26 -2.53 120.51 121.91 2qag n ALA 184 Ca -0.20 -3.67 0.07 0.00 0.00 0.00 0.00 53.44 49.63 2qag n ALA 184 Cb 0.65 -1.64 0.29 0.00 0.00 0.00 0.00 19.45 18.75 2qag n ALA 184 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qag n ASP 185 N -0.80 4.11 0.19 0.00 5.75 -1.26 -3.26 116.55 121.28 2qag n ASP 185 Ca 0.58 -2.46 -0.14 0.00 -0.01 0.00 0.00 54.79 52.76 2qag n ASP 185 Cb 0.60 -0.55 -0.08 0.00 -1.03 0.00 0.00 41.12 40.06 2qag n ASP 185 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2qag h THR 186 N 3.20 0.65 -3.03 2.12 1.35 -1.87 -3.50 112.91 111.83 2qag h THR 186 Ca 0.00 -0.43 -0.66 0.00 -0.55 0.00 0.00 66.41 64.77 2qag h THR 186 Cb 1.34 0.87 -0.12 0.00 -1.73 0.00 0.00 68.15 68.50 2qag h THR 186 CO 0.25 0.08 -0.54 -0.76 -0.25 0.00 0.00 175.52 174.30 2qag s LEU 187 N -9.67 4.01 1.04 3.87 1.02 -1.20 -5.08 118.68 112.67 2qag s LEU 187 Ca -0.15 0.27 -0.14 0.00 0.02 0.00 0.00 54.13 54.13 2qag s LEU 187 Cb 0.03 -1.97 0.21 0.00 0.02 0.00 0.00 46.19 44.47 2qag s LEU 187 CO 0.57 0.33 1.11 -0.89 0.02 0.00 0.00 176.35 177.49 2qag s THR 188 N -0.59 1.91 -0.15 5.49 2.01 -1.26 -4.73 115.64 118.31 2qag s THR 188 Ca 0.11 0.00 0.26 0.00 0.31 0.00 0.00 61.69 62.37 2qag s THR 188 Cb -0.12 -2.54 0.32 0.00 0.01 0.00 0.00 72.50 70.17 2qag s THR 188 CO 0.02 0.00 1.75 0.17 -0.69 0.00 0.00 174.62 175.87 2qag h LEU 189 N -2.02 0.00 0.00 4.42 8.10 -1.95 1.88 115.31 125.74 2qag h LEU 189 Ca -0.52 0.00 -0.18 0.00 0.11 0.00 0.00 57.88 57.30 2qag h LEU 189 Cb 1.32 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.51 2qag h LEU 189 CO 0.52 0.08 -1.04 0.11 -4.11 0.00 0.00 178.44 174.01 2qag h LYS 190 N 0.00 0.00 0.21 0.17 1.57 -1.99 -1.78 116.57 114.75 2qag h LYS 190 Ca -0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.49 2qag h LYS 190 Cb 0.84 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.18 2qag h LYS 190 CO 0.01 0.58 -1.27 0.93 -0.57 0.00 0.00 179.45 179.13 2qag h GLU 191 N 0.00 0.44 0.54 3.15 5.08 -1.87 -3.34 114.58 118.57 2qag h GLU 191 Ca -0.09 -0.75 -0.02 0.00 -1.00 0.00 0.00 59.36 57.51 2qag h GLU 191 Cb 1.63 0.28 0.00 0.00 0.50 0.00 0.00 28.75 31.16 2qag h GLU 191 CO 0.08 1.36 -0.29 -0.09 -1.00 0.00 0.00 179.01 179.06 2qag h ARG 192 N -0.06 -0.75 -0.28 2.33 2.43 0.30 0.30 114.38 118.65 2qag h ARG 192 Ca -0.23 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.04 2qag h ARG 192 Cb 1.97 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 31.67 2qag h ARG 192 CO 0.22 -0.50 0.19 1.05 -1.51 0.00 0.00 179.97 179.42 2qag h GLU 193 N -0.77 0.18 -0.77 0.20 4.11 -1.53 -2.37 114.58 113.62 2qag h GLU 193 Ca -0.07 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 2qag h GLU 193 Cb 0.61 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 2qag h GLU 193 CO 0.09 0.12 0.43 -0.09 0.07 0.00 0.00 179.01 179.63 2qag h ARG 194 N 0.18 1.08 0.00 1.06 2.43 -0.57 -2.57 114.38 115.99 2qag h ARG 194 Ca 0.12 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2qag h ARG 194 Cb 0.26 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2qag h ARG 194 CO -0.02 0.80 -0.65 -0.07 -1.51 0.00 0.00 179.97 178.52 2qag h LEU 195 N 1.07 0.00 -0.65 3.80 3.38 -1.00 -3.24 115.31 118.66 2qag h LEU 195 Ca 0.27 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.38 2qag h LEU 195 Cb 0.03 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.68 2qag h LEU 195 CO -0.04 0.60 0.12 0.11 0.09 0.00 0.00 178.44 179.32 2qag h LYS 196 N 0.00 0.23 0.06 1.13 1.57 -1.01 -1.79 116.57 116.76 2qag h LYS 196 Ca -0.01 -0.01 -0.37 0.00 -1.87 0.00 0.00 60.65 58.38 2qag h LYS 196 Cb 1.47 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.68 2qag h LYS 196 CO 0.08 0.15 -2.23 0.36 -0.57 0.00 0.00 179.45 177.24 2qag n LYS 197 N -5.17 0.70 0.19 3.15 0.00 -1.19 -1.90 118.16 113.95 2qag n LYS 197 Ca 0.11 0.20 0.09 0.00 -0.00 0.00 0.00 58.31 58.71 2qag n LYS 197 Cb 0.38 -1.62 0.14 0.00 -0.00 0.00 0.00 35.03 33.94 2qag n LYS 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qag h ARG 198 N 0.03 0.00 -0.00 -1.58 3.08 -1.60 2.17 114.38 116.48 2qag h ARG 198 Ca -0.50 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.59 2qag h ARG 198 Cb 1.98 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.98 2qag h ARG 198 CO 0.00 0.18 -0.29 0.82 -1.07 0.00 0.00 179.97 179.61 2qag h ILE 199 N 0.00 0.35 -0.84 2.04 2.04 -1.47 -2.56 117.51 117.06 2qag h ILE 199 Ca -0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 2qag h ILE 199 Cb 1.11 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 2qag h ILE 199 CO 0.02 0.00 0.52 -0.07 0.00 0.00 0.00 178.15 178.62 2qag h LEU 200 N -0.44 0.80 -0.14 1.44 4.07 0.15 0.49 115.31 121.69 2qag h LEU 200 Ca 0.06 0.02 -0.23 0.00 0.08 0.00 0.00 57.88 57.81 2qag h LEU 200 Cb 0.53 -0.15 0.01 0.00 1.08 0.00 0.00 40.66 42.13 2qag h LEU 200 CO -0.25 0.51 -0.87 0.44 -1.08 0.00 0.00 178.44 177.19 2qag h ASP 201 N 0.94 0.87 -0.93 -0.43 3.45 0.29 -2.78 116.42 117.82 2qag h ASP 201 Ca 0.37 -0.61 0.08 0.00 0.43 0.00 0.00 57.03 57.30 2qag h ASP 201 Cb 0.19 -0.26 -0.07 0.00 -0.56 0.00 0.00 39.33 38.63 2qag h ASP 201 CO -0.18 1.41 0.58 -0.33 -1.57 0.00 0.00 179.24 179.15 2qag h GLU 202 N 0.45 0.99 -0.44 3.56 4.39 -0.72 4.92 114.58 127.74 2qag h GLU 202 Ca -0.08 -0.06 0.13 0.00 0.34 0.00 0.00 59.36 59.69 2qag h GLU 202 Cb 1.50 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 2qag h GLU 202 CO 0.17 0.66 0.77 0.82 -1.16 0.00 0.00 179.01 180.27 2qag h ILE 203 N 1.02 0.10 0.02 3.13 5.03 0.19 -3.33 117.51 123.67 2qag h ILE 203 Ca 0.42 0.00 -0.39 0.00 -0.12 0.00 0.00 64.86 64.78 2qag h ILE 203 Cb 0.26 0.32 -0.06 0.00 -3.03 0.00 0.00 36.82 34.31 2qag h ILE 203 CO -0.20 0.00 -2.42 -0.62 -0.68 0.00 0.00 178.15 174.23 2qag n GLU 204 N -3.15 0.66 0.00 2.37 -0.58 1.60 0.35 120.64 121.89 2qag n GLU 204 Ca 0.09 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 2qag n GLU 204 Cb 0.93 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 30.26 2qag n GLU 204 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2qag n GLU 205 N -3.28 0.10 0.00 3.49 1.02 -0.62 -4.79 120.64 116.56 2qag n GLU 205 Ca -0.44 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.70 2qag n GLU 205 Cb 1.00 -1.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2qag n GLU 205 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2qag n HIS 206 N -0.50 0.00 -3.60 -0.32 -0.00 -1.24 -5.15 115.22 104.41 2qag n HIS 206 Ca 0.00 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.14 2qag n HIS 206 Cb 0.00 0.00 0.02 0.00 -0.12 0.00 0.00 29.99 29.89 2qag n HIS 206 CO 0.00 0.00 0.00 1.51 0.46 0.00 0.00 176.34 178.31 2qag n ILE 208 N -0.29 0.00 -3.60 3.57 0.00 0.16 -5.08 119.36 114.11 2qag n ILE 208 Ca 0.00 -0.49 -0.39 0.00 0.00 0.00 0.00 62.75 61.87 2qag n ILE 208 Cb 0.00 0.55 -0.07 0.00 0.00 0.00 0.00 39.64 40.13 2qag n ILE 208 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2qag s LYS 209 N -2.04 3.08 0.42 9.51 -0.14 -1.26 -4.93 119.74 124.37 2qag s LYS 209 Ca 0.12 -2.80 0.06 0.00 -1.36 0.00 0.00 55.97 52.00 2qag s LYS 209 Cb -0.02 -3.98 0.06 0.00 -1.68 0.00 0.00 37.83 32.21 2qag s LYS 209 CO 0.05 -1.23 0.52 0.44 -0.76 0.00 0.00 175.35 174.38 2qag n ILE 210 N 3.16 0.00 -3.25 2.17 -5.35 -1.26 -4.67 119.36 110.16 2qag n ILE 210 Ca 0.14 -1.45 -0.40 0.00 -0.27 0.00 0.00 62.75 60.77 2qag n ILE 210 Cb 0.39 -0.54 -0.08 0.00 -1.74 0.00 0.00 39.64 37.68 2qag n ILE 210 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2qag s TYR 211 N -1.70 3.26 -0.13 4.28 5.04 -1.14 -4.96 117.35 121.99 2qag s TYR 211 Ca 0.40 0.59 -0.27 0.00 -2.44 0.00 0.00 57.07 55.35 2qag s TYR 211 Cb -0.03 -2.71 -0.02 0.00 0.35 0.00 0.00 41.96 39.55 2qag s TYR 211 CO 0.25 -0.29 0.88 -1.01 -1.34 0.00 0.00 175.55 174.05 2qag s HIS 212 N 2.28 3.47 -1.08 4.97 3.76 -1.26 -4.91 115.29 122.52 2qag s HIS 212 Ca 0.20 1.39 -0.22 0.00 -0.15 0.00 0.00 55.06 56.28 2qag s HIS 212 Cb -0.16 -3.06 0.05 0.00 1.11 0.00 0.00 32.58 30.53 2qag s HIS 212 CO 0.09 -0.20 1.54 -1.17 -0.85 0.00 0.00 174.74 174.15 2qag s LEU 213 N 1.94 3.57 0.00 0.89 0.20 -1.26 -5.22 118.68 118.80 2qag s LEU 213 Ca 0.42 -1.66 0.00 0.00 0.69 0.00 0.00 54.13 53.58 2qag s LEU 213 Cb -0.17 -2.57 0.00 0.00 -0.43 0.00 0.00 46.19 43.01 2qag s LEU 213 CO 0.15 -1.48 0.00 -2.65 -0.29 0.00 0.00 176.35 172.08 2qag n PRO 214 N 8.77 0.00 0.00 0.98 -0.02 -1.26 -5.09 135.00 138.37 2qag n PRO 214 Ca 0.37 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2qag n PRO 214 Cb 0.50 -0.77 0.00 0.00 -0.02 0.00 0.00 33.50 33.21 2qag n PRO 214 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2qag n PHE 224 N 0.00 0.00 -0.06 6.00 -0.00 -1.26 -5.18 117.46 116.97 2qag n PHE 224 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.37 2qag n PHE 224 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.48 39.47 2qag n PHE 224 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 2qag h LYS 225 N 0.00 0.07 0.00 3.97 1.57 -2.05 -3.03 116.57 117.10 2qag h LYS 225 Ca 0.00 -0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 2qag h LYS 225 Cb 0.00 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 2qag h LYS 225 CO 0.00 0.05 -1.82 -0.85 -0.57 0.00 0.00 179.45 176.25 2qag n GLU 226 N -5.15 0.65 -0.36 3.15 0.28 -1.26 -3.26 120.64 114.68 2qag n GLU 226 Ca -0.01 0.07 0.07 0.00 -0.16 0.00 0.00 57.16 57.12 2qag n GLU 226 Cb 0.13 -1.67 0.23 0.00 1.43 0.00 0.00 31.44 31.56 2qag n GLU 226 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 2qag h GLN 227 N 0.00 0.99 0.27 3.44 3.07 -1.99 1.02 115.11 121.91 2qag h GLN 227 Ca -0.25 -0.06 -0.01 0.00 0.09 0.00 0.00 58.65 58.42 2qag h GLN 227 Cb 1.67 -0.22 0.00 0.00 0.08 0.00 0.00 27.48 29.01 2qag h GLN 227 CO 0.03 0.66 -0.13 0.00 0.09 0.00 0.00 178.83 179.48 2qag h THR 228 N 1.02 0.77 0.00 1.86 1.03 -1.68 -3.28 112.91 112.65 2qag h THR 228 Ca 0.49 -0.56 -0.16 0.00 -0.01 0.00 0.00 66.41 66.17 2qag h THR 228 Cb 0.45 1.08 -0.02 0.00 -1.07 0.00 0.00 68.15 68.58 2qag h THR 228 CO -0.25 0.11 -0.77 -0.09 -0.01 0.00 0.00 175.52 174.51 2qag h ARG 229 N -0.66 0.00 -0.50 0.00 1.12 -0.98 -2.29 114.38 111.08 2qag h ARG 229 Ca -0.04 0.00 0.02 0.00 -1.11 0.00 0.00 59.98 58.85 2qag h ARG 229 Cb 0.46 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.39 2qag h ARG 229 CO 0.06 0.77 0.31 -0.07 -3.11 0.00 0.00 179.97 177.93 2qag h LEU 230 N 0.00 0.50 -0.83 3.80 4.07 0.77 -3.27 115.31 120.36 2qag h LEU 230 Ca -0.01 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.83 2qag h LEU 230 Cb 1.59 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 43.21 2qag h LEU 230 CO 0.10 0.36 -0.45 0.25 -1.08 0.00 0.00 178.44 177.61 2qag h LEU 231 N 0.61 0.32 -0.40 1.67 5.85 -1.49 -3.16 115.31 118.72 2qag h LEU 231 Ca 0.20 -0.15 -0.16 0.00 0.84 0.00 0.00 57.88 58.61 2qag h LEU 231 Cb -0.00 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2qag h LEU 231 CO -0.08 0.73 -0.75 0.11 -0.34 0.00 0.00 178.44 178.12 2qag h LYS 232 N 0.25 0.00 0.00 1.25 6.56 -1.54 -3.21 116.57 119.88 2qag h LYS 232 Ca 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2qag h LYS 232 Cb 0.90 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.56 2qag h LYS 232 CO 0.07 0.75 -0.43 0.00 -2.06 0.00 0.00 179.45 177.77 2qag h ALA 233 N 1.25 0.74 -0.11 3.86 0.00 -1.60 -2.75 119.26 120.66 2qag h ALA 233 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qag h ALA 233 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2qag h ALA 233 CO 0.10 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.78 2qag n SER 234 N -2.44 1.78 -4.65 0.00 7.64 -1.22 -4.90 113.62 109.84 2qag n SER 234 Ca 0.03 -1.66 -0.42 0.00 1.01 0.00 0.00 58.87 57.83 2qag n SER 234 Cb 0.47 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.58 2qag n SER 234 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2qag s ILE 235 N -1.87 3.09 0.33 0.44 -1.16 -1.04 -3.50 121.20 117.50 2qag s ILE 235 Ca 0.35 0.11 0.08 0.00 -0.51 0.00 0.00 60.65 60.68 2qag s ILE 235 Cb 0.19 -3.07 -0.04 0.00 0.61 0.00 0.00 42.46 40.15 2qag s ILE 235 CO 0.30 -0.02 0.14 -2.16 -2.81 0.00 0.00 174.94 170.39 2qag s PRO 236 N 4.63 2.38 0.06 3.50 0.04 -1.26 -4.94 135.00 139.40 2qag s PRO 236 Ca 0.88 -1.53 0.07 0.00 0.04 0.00 0.00 61.00 60.46 2qag s PRO 236 Cb -0.40 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 2qag s PRO 236 CO 0.39 0.13 -0.15 -0.59 0.04 0.00 0.00 177.00 176.83 2qag s PHE 237 N -2.41 2.64 -0.05 0.56 -0.00 -1.23 -4.87 117.98 112.61 2qag s PHE 237 Ca 0.37 -0.21 0.06 0.00 -0.00 0.00 0.00 56.93 57.16 2qag s PHE 237 Cb -0.03 -1.46 -0.01 0.00 -0.00 0.00 0.00 43.02 41.52 2qag s PHE 237 CO 0.23 0.33 -0.24 -1.12 -0.00 0.00 0.00 175.22 174.41 2qag s SER 238 N -1.72 3.14 -0.12 1.98 0.01 -1.26 -3.03 113.70 112.70 2qag s SER 238 Ca 0.17 -0.48 -0.06 0.00 1.31 0.00 0.00 55.95 56.88 2qag s SER 238 Cb -0.11 -0.78 0.05 0.00 0.21 0.00 0.00 66.02 65.39 2qag s SER 238 CO 0.08 0.26 0.28 0.68 0.41 0.00 0.00 173.24 174.95 2qag s VAL 239 N -0.25 -0.08 -0.16 3.43 -7.23 -0.27 -2.02 120.40 113.82 2qag s VAL 239 Ca -0.01 0.15 0.01 0.00 -1.81 0.00 0.00 61.98 60.32 2qag s VAL 239 Cb -0.13 -0.44 0.02 0.00 0.56 0.00 0.00 36.38 36.39 2qag s VAL 239 CO 0.03 0.06 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.03 2qag s VAL 240 N 1.42 1.74 -0.44 1.32 1.01 -1.26 -2.22 120.40 121.96 2qag s VAL 240 Ca -0.08 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 60.92 2qag s VAL 240 Cb -0.10 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.69 2qag s VAL 240 CO -0.09 0.48 0.82 -0.83 0.00 0.00 0.00 175.10 175.47 2qag s GLY 241 N 1.42 1.58 0.39 4.51 0.00 -1.26 -4.77 107.32 109.18 2qag s GLY 241 Ca 0.05 -0.89 -0.27 0.00 0.00 0.00 0.00 44.72 43.61 2qag s GLY 241 CO -0.11 1.84 1.34 -1.35 0.00 0.00 0.00 173.10 174.82 2qag s SER 242 N 2.11 6.37 -0.53 1.64 1.04 -1.26 -4.44 113.70 118.62 2qag s SER 242 Ca 0.32 2.75 0.04 0.00 0.48 0.00 0.00 55.95 59.54 2qag s SER 242 Cb -0.12 -2.65 0.39 0.00 0.10 0.00 0.00 66.02 63.74 2qag s SER 242 CO 0.22 -0.82 1.15 -0.46 0.98 0.00 0.00 173.24 174.32 2qag n ASN 243 N 0.29 4.95 -4.47 7.02 6.94 -1.26 -4.66 115.26 124.07 2qag n ASN 243 Ca 0.03 -3.72 -0.22 0.00 -0.02 0.00 0.00 54.58 50.64 2qag n ASN 243 Cb 0.42 -0.56 -0.11 0.00 -2.36 0.00 0.00 39.78 37.18 2qag n ASN 243 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 2qag s GLN 244 N -3.59 1.67 0.21 -3.83 2.00 -1.26 -5.17 119.66 109.69 2qag s GLN 244 Ca 0.48 -1.91 -0.22 0.00 -2.00 0.00 0.00 55.36 51.71 2qag s GLN 244 Cb 0.36 -1.03 0.06 0.00 0.80 0.00 0.00 33.01 33.20 2qag s GLN 244 CO -0.19 -0.12 0.93 -0.48 -0.50 0.00 0.00 175.29 174.93 2qag s LEU 245 N -3.51 -0.10 0.00 3.68 2.34 -1.26 -4.13 118.68 115.70 2qag s LEU 245 Ca 0.35 -0.62 0.00 0.00 0.06 0.00 0.00 54.13 53.91 2qag s LEU 245 Cb 0.08 2.30 0.00 0.00 -0.56 0.00 0.00 46.19 48.01 2qag s LEU 245 CO 0.15 -1.10 0.00 -0.38 -1.06 0.00 0.00 176.35 173.96 2qag n ILE 246 N -0.55 0.00 0.00 1.48 2.08 -1.26 -5.05 119.36 116.06 2qag n ILE 246 Ca -0.05 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.26 2qag n ILE 246 Cb 0.60 0.01 0.00 0.00 -0.75 0.00 0.00 39.64 39.50 2qag n ILE 246 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2qag n VAL 253 N -0.12 0.00 -3.60 1.39 0.31 -1.26 -5.14 118.33 109.91 2qag n VAL 253 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 2qag n VAL 253 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 2qag n VAL 253 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qag s ARG 254 N -0.11 4.10 0.00 5.55 0.52 -1.26 -4.80 118.95 122.95 2qag s ARG 254 Ca 0.00 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 2qag s ARG 254 Cb 0.00 -3.53 0.00 0.00 0.52 0.00 0.00 34.95 31.94 2qag s ARG 254 CO 0.00 0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.78 2qag n GLY 255 N 4.14 -1.52 3.31 -3.53 0.00 -1.23 0.16 105.19 106.52 2qag n GLY 255 Ca -0.13 0.65 -0.14 0.00 0.00 0.00 0.00 46.02 46.40 2qag n GLY 255 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qag s ARG 256 N 0.00 0.59 -0.19 1.61 0.52 -1.06 -4.22 118.95 116.19 2qag s ARG 256 Ca 0.00 0.32 -0.02 0.00 -0.52 0.00 0.00 55.73 55.51 2qag s ARG 256 Cb 0.00 0.28 -0.00 0.00 0.52 0.00 0.00 34.95 35.74 2qag s ARG 256 CO 0.00 -0.12 -0.10 -1.17 0.02 0.00 0.00 175.30 173.94 2qag s LEU 257 N -0.36 2.68 -0.03 2.53 0.20 -1.26 -2.55 118.68 119.89 2qag s LEU 257 Ca -0.05 -0.44 0.00 0.00 0.69 0.00 0.00 54.13 54.33 2qag s LEU 257 Cb -0.03 -1.65 0.03 0.00 -0.43 0.00 0.00 46.19 44.10 2qag s LEU 257 CO 0.02 0.02 0.01 -0.31 -0.29 0.00 0.00 176.35 175.80 2qag s TYR 258 N 1.24 0.20 -0.15 5.38 1.51 -1.05 -5.01 117.35 119.48 2qag s TYR 258 Ca 0.03 0.05 0.15 0.00 -1.01 0.00 0.00 57.07 56.29 2qag s TYR 258 Cb -0.14 -0.35 0.03 0.00 -0.11 0.00 0.00 41.96 41.39 2qag s TYR 258 CO -0.04 -0.12 1.34 -1.00 -1.11 0.00 0.00 175.55 174.62 2qag h PRO 259 N 7.30 0.00 -5.80 -1.71 0.13 -2.03 -2.77 132.00 127.11 2qag h PRO 259 Ca -0.43 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.22 2qag h PRO 259 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2qag h PRO 259 CO 0.47 0.47 1.50 -0.46 -0.23 0.00 0.00 178.00 179.74 2qag s TRP 260 N -2.96 1.36 0.39 1.56 -0.00 -1.26 -5.04 118.94 112.99 2qag s TRP 260 Ca 0.03 1.18 0.00 0.00 -0.00 0.00 0.00 56.10 57.31 2qag s TRP 260 Cb 0.08 -3.83 0.00 0.00 -0.00 0.00 0.00 33.47 29.72 2qag s TRP 260 CO 0.76 -2.42 0.00 0.41 -0.00 0.00 0.00 176.95 175.70 2qag n GLY 261 N 5.85 -2.73 3.12 5.86 0.00 -1.05 -4.98 105.19 111.26 2qag n GLY 261 Ca 0.29 -1.19 -0.19 0.00 0.00 0.00 0.00 46.02 44.93 2qag n GLY 261 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qag s VAL 262 N -3.30 0.98 -0.14 1.61 0.11 -1.26 -2.52 120.40 115.88 2qag s VAL 262 Ca 0.00 -0.99 0.01 0.00 -2.93 0.00 0.00 61.98 58.07 2qag s VAL 262 Cb 0.00 -0.91 0.02 0.00 -1.53 0.00 0.00 36.38 33.96 2qag s VAL 262 CO 0.00 -0.07 -0.14 -0.69 -3.33 0.00 0.00 175.10 170.87 2qag s VAL 263 N -0.92 1.54 0.05 2.04 1.01 -1.06 -5.02 120.40 118.05 2qag s VAL 263 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2qag s VAL 263 Cb -0.08 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2qag s VAL 263 CO 0.01 0.45 0.17 -0.70 0.00 0.00 0.00 175.10 175.03 2qag s GLU 264 N 1.34 3.27 0.71 2.72 2.12 -1.26 -2.57 118.70 125.03 2qag s GLU 264 Ca 0.01 -0.49 -0.11 0.00 0.36 0.00 0.00 54.97 54.74 2qag s GLU 264 Cb -0.13 -2.96 0.02 0.00 0.26 0.00 0.00 34.13 31.32 2qag s GLU 264 CO -0.08 0.61 1.08 0.08 -0.54 0.00 0.00 175.26 176.42 2qag s VAL 265 N -1.44 3.62 -1.47 3.70 1.01 0.42 -4.45 120.40 121.79 2qag s VAL 265 Ca 0.32 0.53 -0.07 0.00 0.00 0.00 0.00 61.98 62.75 2qag s VAL 265 Cb -0.13 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.81 2qag s VAL 265 CO 0.24 -0.69 0.88 -0.62 0.00 0.00 0.00 175.10 174.92 2qag n GLU 266 N -3.06 -6.25 -0.09 2.72 1.02 -1.26 -4.83 120.64 108.89 2qag n GLU 266 Ca 0.07 0.84 -0.19 0.00 -0.02 0.00 0.00 57.16 57.87 2qag n GLU 266 Cb 0.56 -5.79 -0.06 0.00 -0.02 0.00 0.00 31.44 26.13 2qag n GLU 266 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2qag n ASN 267 N -2.75 1.28 0.00 1.62 2.85 -1.23 -4.91 115.26 112.12 2qag n ASN 267 Ca -0.05 0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.64 2qag n ASN 267 Cb 0.59 -0.53 0.00 0.00 1.24 0.00 0.00 39.78 41.08 2qag n ASN 267 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2qag n PRO 268 N -3.82 0.00 0.00 1.20 -0.02 -1.26 -4.77 135.00 126.33 2qag n PRO 268 Ca -0.34 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.14 2qag n PRO 268 Cb 0.73 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.21 2qag n PRO 268 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2qag n HIS 270 N 0.00 0.00 -3.86 6.00 -0.00 -1.26 -5.04 115.22 111.06 2qag n HIS 270 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.37 2qag n HIS 270 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.91 2qag n HIS 270 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2qag s ASN 271 N -4.00 6.01 -0.07 0.41 2.47 -1.26 -4.93 114.94 113.57 2qag s ASN 271 Ca 0.00 0.21 0.04 0.00 0.42 0.00 0.00 52.86 53.53 2qag s ASN 271 Cb 0.00 -2.03 0.24 0.00 -1.45 0.00 0.00 41.25 38.01 2qag s ASN 271 CO 0.00 0.21 0.88 0.47 -3.72 0.00 0.00 177.10 174.94 2qag n ASP 272 N 3.29 2.37 -0.25 -4.21 9.92 -0.86 -3.55 116.55 123.27 2qag n ASP 272 Ca -0.17 -2.27 -0.01 0.00 -0.53 0.00 0.00 54.79 51.82 2qag n ASP 272 Cb 0.52 -0.54 0.11 0.00 -0.64 0.00 0.00 41.12 40.57 2qag n ASP 272 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2qag h PHE 273 N 1.18 0.73 0.00 1.24 3.57 -1.92 -3.19 116.94 118.55 2qag h PHE 273 Ca 0.00 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 2qag h PHE 273 Cb 0.92 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 2qag h PHE 273 CO 0.32 0.34 -0.75 1.25 -2.23 0.00 0.00 178.31 177.24 2qag h LEU 274 N 0.73 0.00 -1.24 0.59 6.46 -1.91 -2.57 115.31 117.36 2qag h LEU 274 Ca 0.32 0.00 0.26 0.00 -0.12 0.00 0.00 57.88 58.35 2qag h LEU 274 Cb 0.22 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.04 2qag h LEU 274 CO -0.19 0.65 0.65 0.11 -0.62 0.00 0.00 178.44 179.04 2qag h LYS 275 N 0.00 0.44 0.00 1.25 1.79 -1.85 0.37 116.57 118.57 2qag h LYS 275 Ca -0.03 -0.03 -0.20 0.00 -2.18 0.00 0.00 60.65 58.22 2qag h LYS 275 Cb 1.52 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 32.04 2qag h LYS 275 CO 0.08 0.29 -1.07 1.25 -1.08 0.00 0.00 179.45 178.92 2qag h LEU 276 N 0.45 0.00 -0.86 2.94 6.46 -1.62 0.35 115.31 123.03 2qag h LEU 276 Ca 0.62 -0.57 0.21 0.00 -0.12 0.00 0.00 57.88 58.01 2qag h LEU 276 Cb 1.44 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 41.21 2qag h LEU 276 CO -0.36 1.41 -0.01 -0.09 -0.62 0.00 0.00 178.44 178.78 2qag h ARG 277 N -1.00 0.07 0.04 1.25 9.65 -1.38 0.53 114.38 123.53 2qag h ARG 277 Ca -0.29 -0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.25 2qag h ARG 277 Cb 1.25 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.77 2qag h ARG 277 CO -0.18 0.04 -1.91 2.41 2.80 0.00 0.00 179.97 183.13 2qag n THR 278 N -5.42 1.63 -0.00 0.20 -1.04 0.13 -3.08 114.28 106.70 2qag n THR 278 Ca 0.17 -0.75 -0.10 0.00 -2.04 0.00 0.00 64.05 61.34 2qag n THR 278 Cb 0.57 -1.21 -0.04 0.00 -1.82 0.00 0.00 70.33 67.84 2qag n THR 278 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qag h MET 279 N 0.02 -0.05 0.00 -2.82 -0.00 -0.81 -3.15 114.93 108.12 2qag h MET 279 Ca -0.37 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.17 2qag h MET 279 Cb 2.04 0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 33.63 2qag h MET 279 CO 0.07 -0.04 -1.22 1.25 -0.00 0.00 0.00 176.91 176.97 2qag h LEU 280 N -0.05 0.00 -1.30 -0.10 6.46 -0.98 0.18 115.31 119.51 2qag h LEU 280 Ca 0.07 0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.89 2qag h LEU 280 Cb 0.16 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.04 2qag h LEU 280 CO -0.16 0.58 0.51 0.40 -0.62 0.00 0.00 178.44 179.16 2qag h ILE 281 N 0.00 1.05 0.00 4.05 1.08 -1.68 -3.37 117.51 118.63 2qag h ILE 281 Ca -0.13 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 2qag h ILE 281 Cb 1.56 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 2qag h ILE 281 CO 0.05 0.16 0.00 1.07 -0.69 0.00 0.00 178.15 178.74 2qag n THR 282 N -4.48 0.00 -1.63 -0.27 5.66 0.61 -3.57 114.28 110.61 2qag n THR 282 Ca 0.11 0.62 -0.47 0.00 -3.05 0.00 0.00 64.05 61.27 2qag n THR 282 Cb 0.20 -1.40 -0.03 0.00 -1.55 0.00 0.00 70.33 67.55 2qag n THR 282 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2qag n HIS 283 N -1.53 1.76 -1.90 1.09 8.25 -1.22 -4.94 115.22 116.74 2qag n HIS 283 Ca 0.00 0.54 -0.01 0.00 -0.26 0.00 0.00 57.72 57.99 2qag n HIS 283 Cb 0.00 -2.38 0.13 0.00 1.12 0.00 0.00 29.99 28.86 2qag n HIS 283 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2qag n MET 284 N 1.98 1.78 -0.85 -0.41 2.00 -1.23 -4.41 117.12 115.97 2qag n MET 284 Ca 0.14 -3.30 -0.01 0.00 0.00 0.00 0.00 57.70 54.52 2qag n MET 284 Cb 0.28 -1.51 0.29 0.00 0.00 0.00 0.00 33.22 32.28 2qag n MET 284 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qag n GLN 285 N -0.75 3.41 -0.16 0.03 -0.00 -1.26 -0.01 117.38 118.64 2qag n GLN 285 Ca 0.22 -3.06 0.02 0.00 -0.00 0.00 0.00 57.00 54.18 2qag n GLN 285 Cb 0.83 -2.09 0.08 0.00 -0.00 0.00 0.00 30.24 29.06 2qag n GLN 285 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2qag n ASP 286 N -0.30 1.67 -0.15 2.61 5.75 -1.26 0.40 116.55 125.27 2qag n ASP 286 Ca 0.34 -2.14 -0.04 0.00 -0.01 0.00 0.00 54.79 52.94 2qag n ASP 286 Cb 1.21 -0.40 -0.04 0.00 -1.03 0.00 0.00 41.12 40.87 2qag n ASP 286 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2qag n LEU 287 N 0.09 -0.39 -0.10 -2.12 4.77 0.99 -4.34 117.00 115.90 2qag n LEU 287 Ca 0.06 0.86 -0.20 0.00 -0.03 0.00 0.00 56.01 56.70 2qag n LEU 287 Cb 0.36 -0.19 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 2qag n LEU 287 CO 0.06 -0.64 -1.20 0.00 -1.33 0.00 0.00 177.39 174.29 2qag n GLN 288 N -3.92 0.67 0.05 3.23 6.02 1.32 -3.33 117.38 121.42 2qag n GLN 288 Ca 0.01 0.20 -0.13 0.00 -0.01 0.00 0.00 57.00 57.07 2qag n GLN 288 Cb 0.09 -1.57 -0.09 0.00 1.02 0.00 0.00 30.24 29.70 2qag n GLN 288 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2qag h GLU 289 N -0.12 -0.13 0.00 -1.09 4.39 -1.56 0.16 114.58 116.23 2qag h GLU 289 Ca -0.55 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.16 2qag h GLU 289 Cb 1.88 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.56 2qag h GLU 289 CO -0.09 0.21 0.28 0.28 -1.16 0.00 0.00 179.01 178.53 2qag h VAL 290 N -0.48 0.00 0.00 3.13 2.07 -1.76 3.74 116.25 122.96 2qag h VAL 290 Ca -0.01 0.00 -0.46 0.00 0.82 0.00 0.00 66.70 67.05 2qag h VAL 290 Cb 0.39 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 2qag h VAL 290 CO 0.02 0.00 -2.52 1.07 0.02 0.00 0.00 177.57 176.16 2qag n THR 291 N -2.91 1.50 0.44 2.57 5.66 -1.10 -2.93 114.28 117.52 2qag n THR 291 Ca -0.02 -0.38 -0.19 0.00 -3.05 0.00 0.00 64.05 60.41 2qag n THR 291 Cb 0.33 -1.88 -0.09 0.00 -1.55 0.00 0.00 70.33 67.14 2qag n THR 291 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 2qag h GLN 292 N -0.98 -1.14 0.09 1.09 5.75 -0.10 -3.32 115.11 116.50 2qag h GLN 292 Ca -0.69 0.08 -0.15 0.00 -0.15 0.00 0.00 58.65 57.73 2qag h GLN 292 Cb 1.61 0.26 0.02 0.00 1.07 0.00 0.00 27.48 30.43 2qag h GLN 292 CO -0.42 -0.76 -0.66 0.22 -2.65 0.00 0.00 178.83 174.56 2qag h ASP 293 N -1.18 0.42 0.00 -0.69 3.58 0.69 -3.18 116.42 116.06 2qag h ASP 293 Ca -0.11 -0.91 -0.23 0.00 0.42 0.00 0.00 57.03 56.20 2qag h ASP 293 Cb 0.93 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.80 2qag h ASP 293 CO 0.14 1.29 -1.88 0.18 -2.88 0.00 0.00 179.24 176.10 2qag n LEU 294 N -4.21 0.45 0.01 2.28 4.77 -1.21 -3.45 117.00 115.64 2qag n LEU 294 Ca -0.13 -0.01 0.06 0.00 -0.03 0.00 0.00 56.01 55.90 2qag n LEU 294 Cb 0.74 0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.90 2qag n LEU 294 CO 0.46 0.38 -0.54 1.57 -1.33 0.00 0.00 177.39 177.93 2qag n HIS 295 N -2.54 0.42 0.16 -1.77 -0.00 -1.15 -2.80 115.22 107.54 2qag n HIS 295 Ca -0.22 0.13 -0.14 0.00 0.46 0.00 0.00 57.72 57.95 2qag n HIS 295 Cb 0.90 -0.79 -0.08 0.00 -0.12 0.00 0.00 29.99 29.90 2qag n HIS 295 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 2qag h TYR 296 N 0.00 -0.32 0.00 1.57 -1.99 -1.65 -0.82 116.97 113.75 2qag h TYR 296 Ca -0.11 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.61 2qag h TYR 296 Cb 1.28 0.11 0.00 0.00 2.00 0.00 0.00 36.73 40.12 2qag h TYR 296 CO 0.00 -0.18 0.00 0.93 -0.00 0.00 0.00 178.16 178.91 2qag h GLU 297 N -0.38 0.00 0.00 4.88 5.08 -1.72 -1.98 114.58 120.46 2qag h GLU 297 Ca -0.04 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2qag h GLU 297 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2qag h GLU 297 CO 0.06 0.00 -0.17 -0.97 -1.00 0.00 0.00 179.01 176.93 2qag h ASN 298 N 0.00 0.00 -0.56 1.42 -1.24 -1.40 2.17 115.58 115.97 2qag h ASN 298 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 2qag h ASN 298 Cb 0.87 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.90 2qag h ASN 298 CO 0.00 0.17 0.18 -0.26 -1.29 0.00 0.00 177.43 176.23 2qag h PHE 299 N 0.00 0.89 0.00 0.67 -1.00 -0.49 -3.01 116.94 114.00 2qag h PHE 299 Ca -0.00 -0.09 -0.20 0.00 2.81 0.00 0.00 57.97 60.49 2qag h PHE 299 Cb 0.76 -0.26 -0.04 0.00 3.61 0.00 0.00 35.95 40.03 2qag h PHE 299 CO 0.00 0.75 -1.94 2.89 -1.61 0.00 0.00 178.31 178.41 2qag n ARG 300 N -4.45 0.66 -0.03 1.51 -4.01 0.21 0.16 116.66 110.72 2qag n ARG 300 Ca 0.03 0.02 -0.11 0.00 -1.04 0.00 0.00 57.85 56.75 2qag n ARG 300 Cb 0.20 -1.62 -0.06 0.00 -3.04 0.00 0.00 32.46 27.94 2qag n ARG 300 CO 0.00 0.00 0.00 0.77 -3.04 0.00 0.00 177.63 175.36 2qag h SER 301 N 0.00 0.17 0.11 2.89 0.02 0.32 -3.38 113.55 113.68 2qag h SER 301 Ca -0.27 -0.16 -0.36 0.00 -0.84 0.00 0.00 61.79 60.17 2qag h SER 301 Cb 1.68 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 64.12 2qag h SER 301 CO 0.03 0.28 -2.24 -0.62 -1.14 0.00 0.00 176.83 173.14 2qag n GLU 302 N -4.90 0.68 -0.29 3.45 1.02 -0.67 -3.14 120.64 116.79 2qag n GLU 302 Ca -0.05 0.13 -0.04 0.00 -0.02 0.00 0.00 57.16 57.17 2qag n GLU 302 Cb 0.11 -1.60 0.07 0.00 -0.02 0.00 0.00 31.44 30.01 2qag n GLU 302 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qag h ARG 303 N 0.01 1.07 -0.02 3.49 2.47 0.14 -3.49 114.38 118.05 2qag h ARG 303 Ca -0.49 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.14 2qag h ARG 303 Cb 2.08 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 30.17 2qag h ARG 303 CO 0.01 0.74 0.00 1.47 0.56 0.00 0.00 179.97 182.75