#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqg s VAL 17 N 0.00 5.15 0.00 1.39 1.01 -0.22 -4.10 120.40 123.63 1iqg s VAL 17 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1iqg s VAL 17 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1iqg s VAL 17 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1iqg n GLY 18 N 4.95 -0.51 0.67 4.51 0.00 -1.26 -2.63 105.19 110.92 1iqg n GLY 18 Ca -0.14 -1.13 0.09 0.00 0.00 0.00 0.00 46.02 44.83 1iqg n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqg n GLY 19 N 0.00 -1.68 3.98 -0.02 0.00 -1.26 -4.87 105.19 101.34 1iqg n GLY 19 Ca 0.00 -1.36 -0.23 0.00 0.00 0.00 0.00 46.02 44.44 1iqg n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iqg s GLN 20 N -1.73 2.23 0.11 1.61 -1.52 -0.48 -4.92 119.66 114.96 1iqg s GLN 20 Ca 0.00 -1.86 -0.15 0.00 -1.95 0.00 0.00 55.36 51.40 1iqg s GLN 20 Cb 0.00 -2.39 -0.07 0.00 -0.22 0.00 0.00 33.01 30.33 1iqg s GLN 20 CO 0.00 -0.83 0.53 -2.00 -0.25 0.00 0.00 175.29 172.75 1iqg s GLU 21 N -4.54 4.01 -0.33 2.91 2.12 -1.26 -1.48 118.70 120.14 1iqg s GLU 21 Ca 0.49 0.53 -0.29 0.00 0.36 0.00 0.00 54.97 56.06 1iqg s GLU 21 Cb -0.04 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.32 1iqg s GLU 21 CO 0.31 0.54 1.34 0.00 -0.54 0.00 0.00 175.26 176.91 1iqg s LYS 23 N 4.38 4.15 -0.37 0.00 -0.14 -1.26 -4.88 119.74 121.61 1iqg s LYS 23 Ca 0.58 0.97 -0.34 0.00 -1.36 0.00 0.00 55.97 55.81 1iqg s LYS 23 Cb -0.16 -2.26 -0.15 0.00 -1.68 0.00 0.00 37.83 33.58 1iqg s LYS 23 CO 0.26 0.02 1.37 -3.47 -0.76 0.00 0.00 175.35 172.77 1iqg n ASP 24 N -0.59 0.77 0.00 2.83 4.64 -1.26 -0.04 116.55 122.89 1iqg n ASP 24 Ca 0.06 0.74 0.00 0.00 -1.38 0.00 0.00 54.79 54.20 1iqg n ASP 24 Cb 0.54 -0.67 0.00 0.00 -1.04 0.00 0.00 41.12 39.95 1iqg n ASP 24 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1iqg n GLY 25 N 4.08 1.73 0.23 0.27 0.00 -1.26 -4.94 105.19 105.30 1iqg n GLY 25 Ca 0.31 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.45 1iqg n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1iqg h GLU 26 N 2.86 0.00 -1.03 1.61 5.08 -0.80 -3.37 114.58 118.92 1iqg h GLU 26 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 1iqg h GLU 26 Cb 0.00 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.85 1iqg h GLU 26 CO 0.00 0.07 -1.14 0.00 -1.00 0.00 0.00 179.01 176.94 1iqg h PRO 28 N 2.94 0.00 -0.11 0.00 0.13 -1.78 -2.40 132.00 130.77 1iqg h PRO 28 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1iqg h PRO 28 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1iqg h PRO 28 CO 0.53 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.63 1iqg n TRP 29 N -3.00 0.13 -2.43 1.56 2.14 -0.99 -1.81 117.44 113.04 1iqg n TRP 29 Ca -0.03 -0.07 -0.36 0.00 2.07 0.00 0.00 57.50 59.11 1iqg n TRP 29 Cb 0.08 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.56 1iqg n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1iqg s GLN 30 N -1.87 3.89 -0.04 -2.67 2.00 -0.91 -0.40 119.66 119.67 1iqg s GLN 30 Ca 0.32 1.57 -0.05 0.00 -2.00 0.00 0.00 55.36 55.20 1iqg s GLN 30 Cb 0.17 -2.36 0.01 0.00 0.80 0.00 0.00 33.01 31.62 1iqg s GLN 30 CO 0.26 -0.39 0.14 0.00 -0.50 0.00 0.00 175.29 174.80 1iqg s ALA 31 N -1.69 -0.35 -0.13 1.58 0.00 -0.66 -4.47 121.76 116.03 1iqg s ALA 31 Ca 0.63 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.92 1iqg s ALA 31 Cb -0.23 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.72 1iqg s ALA 31 CO 0.28 -0.10 -0.22 -1.17 0.00 0.00 0.00 175.76 174.56 1iqg s LEU 32 N -0.20 2.07 -0.02 0.00 2.96 0.27 -0.78 118.68 122.97 1iqg s LEU 32 Ca -0.03 -0.58 -0.24 0.00 -0.22 0.00 0.00 54.13 53.07 1iqg s LEU 32 Cb -0.02 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.22 1iqg s LEU 32 CO 0.00 0.09 0.72 -0.76 -1.32 0.00 0.00 176.35 175.08 1iqg s LEU 33 N 0.76 4.37 0.02 -0.68 1.43 -0.50 0.32 118.68 124.41 1iqg s LEU 33 Ca -0.09 1.28 0.07 0.00 -1.03 0.00 0.00 54.13 54.36 1iqg s LEU 33 Cb -0.16 -3.13 -0.02 0.00 0.03 0.00 0.00 46.19 42.92 1iqg s LEU 33 CO -0.00 -0.05 -0.20 0.27 0.23 0.00 0.00 176.35 176.59 1iqg s ILE 34 N 0.41 1.62 0.84 -0.59 -4.36 0.14 -1.35 121.20 117.92 1iqg s ILE 34 Ca 0.37 -1.08 -0.10 0.00 -0.26 0.00 0.00 60.65 59.59 1iqg s ILE 34 Cb -0.19 -1.39 0.15 0.00 1.25 0.00 0.00 42.46 42.28 1iqg s ILE 34 CO 0.20 0.28 1.18 0.54 0.24 0.00 0.00 174.94 177.38 1iqg s ASN 35 N -0.93 3.84 0.48 4.36 2.20 -0.33 -0.70 114.94 123.85 1iqg s ASN 35 Ca 0.07 0.19 0.14 0.00 -0.94 0.00 0.00 52.86 52.33 1iqg s ASN 35 Cb -0.08 -0.47 1.11 0.00 -2.00 0.00 0.00 41.25 39.81 1iqg s ASN 35 CO 0.01 -2.25 2.08 1.05 -2.94 0.00 0.00 177.10 175.06 1iqg h GLU 36 N -1.14 0.11 0.00 3.55 9.09 -1.90 1.06 114.58 125.35 1iqg h GLU 36 Ca -0.43 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1iqg h GLU 36 Cb 1.27 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 1iqg h GLU 36 CO 0.45 0.13 0.00 0.39 0.05 0.00 0.00 179.01 180.03 1iqg n GLU 37 N -4.46 0.17 -1.01 1.06 4.71 -1.26 -4.81 120.64 115.03 1iqg n GLU 37 Ca -0.02 0.17 -0.00 0.00 -0.01 0.00 0.00 57.16 57.30 1iqg n GLU 37 Cb 0.13 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 29.06 1iqg n GLU 37 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1iqg n ASN 38 N -1.29 -3.92 -4.81 1.62 2.85 0.37 -5.01 115.26 105.06 1iqg n ASN 38 Ca 0.06 0.01 -0.35 0.00 -0.11 0.00 0.00 54.58 54.19 1iqg n ASN 38 Cb 0.09 -1.46 -0.07 0.00 1.24 0.00 0.00 39.78 39.59 1iqg n ASN 38 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1iqg s GLU 39 N -0.75 4.30 -0.21 1.20 2.02 -1.25 -4.68 118.70 119.33 1iqg s GLU 39 Ca 0.00 1.07 -0.25 0.00 0.02 0.00 0.00 54.97 55.80 1iqg s GLU 39 Cb 0.00 -2.52 -0.01 0.00 0.10 0.00 0.00 34.13 31.71 1iqg s GLU 39 CO 0.00 0.16 0.86 0.20 0.02 0.00 0.00 175.26 176.50 1iqg s GLY 40 N -1.94 1.89 -0.06 -1.39 0.00 -1.26 -1.19 107.32 103.37 1iqg s GLY 40 Ca 0.54 -0.02 0.06 0.00 0.00 0.00 0.00 44.72 45.29 1iqg s GLY 40 CO 0.18 1.80 0.03 1.97 0.00 0.00 0.00 173.10 177.09 1iqg n PHE 41 N 5.74 0.00 -4.24 1.90 1.16 -0.46 -5.00 117.46 116.56 1iqg n PHE 41 Ca 0.06 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.50 1iqg n PHE 41 Cb 0.48 -0.29 -0.10 0.00 -1.61 0.00 0.00 39.48 37.96 1iqg n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1iqg s GLY 43 N -3.24 2.11 0.08 0.00 0.00 0.62 -1.41 107.32 105.49 1iqg s GLY 43 Ca 0.39 -1.72 -0.26 0.00 0.00 0.00 0.00 44.72 43.12 1iqg s GLY 43 CO 0.15 -1.76 0.82 -0.32 0.00 0.00 0.00 173.10 171.99 1iqg s GLY 44 N -4.32 -0.43 -0.06 0.20 0.00 0.04 -3.63 107.32 99.12 1iqg s GLY 44 Ca 0.47 0.64 0.05 0.00 0.00 0.00 0.00 44.72 45.88 1iqg s GLY 44 CO 0.28 0.20 -0.23 -1.59 0.00 0.00 0.00 173.10 171.77 1iqg s THR 45 N -3.35 1.92 -0.24 0.90 2.01 0.10 -1.66 115.64 115.32 1iqg s THR 45 Ca 0.06 -0.99 -0.29 0.00 0.31 0.00 0.00 61.69 60.78 1iqg s THR 45 Cb -0.01 -1.64 0.01 0.00 0.01 0.00 0.00 72.50 70.87 1iqg s THR 45 CO -0.07 0.54 1.03 -0.63 -0.69 0.00 0.00 174.62 174.80 1iqg s ILE 46 N -0.06 4.67 -0.23 1.82 1.01 0.47 -0.46 121.20 128.42 1iqg s ILE 46 Ca -0.06 1.98 -0.09 0.00 0.00 0.00 0.00 60.65 62.49 1iqg s ILE 46 Cb -0.14 -4.31 -0.18 0.00 0.01 0.00 0.00 42.46 37.84 1iqg s ILE 46 CO 0.04 -0.20 -0.07 0.18 0.00 0.00 0.00 174.94 174.88 1iqg n LEU 47 N 6.35 2.42 0.00 2.97 4.77 -0.58 -1.12 117.00 131.81 1iqg n LEU 47 Ca 0.12 0.17 -0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1iqg n LEU 47 Cb 0.46 -0.94 -0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1iqg n LEU 47 CO 0.52 0.70 0.00 -1.54 -1.33 0.00 0.00 177.39 175.75 1iqg n SER 48 N -3.80 -0.02 0.23 -1.43 3.41 -1.18 -4.54 113.62 106.30 1iqg n SER 48 Ca -0.44 -1.02 0.10 0.00 -0.26 0.00 0.00 58.87 57.26 1iqg n SER 48 Cb 0.92 0.03 0.49 0.00 -0.26 0.00 0.00 64.21 65.38 1iqg n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1iqg h GLU 49 N 0.00 0.00 0.00 4.33 4.11 -1.98 -3.27 114.58 117.77 1iqg h GLU 49 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1iqg h GLU 49 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1iqg h GLU 49 CO 0.00 0.22 -1.13 1.19 0.07 0.00 0.00 179.01 179.36 1iqg n PHE 50 N -3.42 0.00 -5.20 2.06 3.72 -1.26 -0.30 117.46 113.06 1iqg n PHE 50 Ca -0.00 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.08 1iqg n PHE 50 Cb 0.41 -0.16 -0.16 0.00 -0.94 0.00 0.00 39.48 38.64 1iqg n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1iqg s TYR 51 N -2.60 2.45 -0.04 1.38 2.02 -1.24 0.11 117.35 119.44 1iqg s TYR 51 Ca -0.00 -0.51 0.06 0.00 -0.37 0.00 0.00 57.07 56.24 1iqg s TYR 51 Cb 0.09 -1.57 -0.01 0.00 -0.40 0.00 0.00 41.96 40.07 1iqg s TYR 51 CO 0.55 -0.08 -0.22 0.42 -1.57 0.00 0.00 175.55 174.65 1iqg s ILE 52 N -0.42 1.77 -0.11 2.71 -1.09 0.28 -1.52 121.20 122.82 1iqg s ILE 52 Ca 0.04 -0.93 -0.05 0.00 -2.23 0.00 0.00 60.65 57.48 1iqg s ILE 52 Cb -0.12 -1.49 -0.04 0.00 -1.58 0.00 0.00 42.46 39.23 1iqg s ILE 52 CO 0.01 0.50 0.08 -0.22 -1.23 0.00 0.00 174.94 174.08 1iqg s LEU 53 N -0.25 4.03 0.39 2.97 2.96 0.39 0.65 118.68 129.81 1iqg s LEU 53 Ca 0.01 0.31 -0.13 0.00 -0.22 0.00 0.00 54.13 54.10 1iqg s LEU 53 Cb -0.11 -1.97 0.05 0.00 0.50 0.00 0.00 46.19 44.66 1iqg s LEU 53 CO 0.01 0.37 0.74 0.28 -1.32 0.00 0.00 176.35 176.43 1iqg s THR 54 N -0.82 0.00 0.45 3.68 -1.32 0.01 0.02 115.64 117.65 1iqg s THR 54 Ca 0.13 -1.12 -0.16 0.00 -1.21 0.00 0.00 61.69 59.34 1iqg s THR 54 Cb -0.12 -2.89 -0.08 0.00 -1.51 0.00 0.00 72.50 67.90 1iqg s THR 54 CO 0.03 0.00 0.89 0.00 -2.21 0.00 0.00 174.62 173.33 1iqg s ALA 55 N -2.34 3.17 0.05 11.08 0.00 -1.26 -0.16 121.76 132.30 1iqg s ALA 55 Ca 0.19 0.11 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 1iqg s ALA 55 Cb -0.04 -2.97 -0.32 0.00 0.00 0.00 0.00 23.12 19.79 1iqg s ALA 55 CO 0.14 -0.04 1.07 0.00 0.00 0.00 0.00 175.76 176.93 1iqg h ALA 56 N 1.36 -0.05 0.00 0.00 0.00 -1.67 -3.19 119.26 115.71 1iqg h ALA 56 Ca -0.47 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 53.58 1iqg h ALA 56 Cb 1.18 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1iqg h ALA 56 CO 0.62 0.79 0.05 1.12 0.00 0.00 0.00 179.25 181.83 1iqg h HIS 57 N 0.14 0.00 0.00 0.00 2.07 -1.89 0.15 115.15 115.62 1iqg h HIS 57 Ca -0.20 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.31 1iqg h HIS 57 Cb 2.06 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 32.04 1iqg h HIS 57 CO 0.10 0.00 -0.02 0.00 -3.07 0.00 0.00 177.93 174.95 1iqg n LEU 59 N -3.13 6.09 0.00 0.00 4.77 0.04 -2.97 117.00 121.81 1iqg n LEU 59 Ca 0.00 -3.08 0.00 0.00 -0.03 0.00 0.00 56.01 52.91 1iqg n LEU 59 Cb 0.29 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1iqg n LEU 59 CO 0.27 1.21 0.00 -1.22 -1.33 0.00 0.00 177.39 176.32 1iqg n TYR 60 N 0.80 0.00 -1.06 -1.77 4.01 -1.11 -4.88 117.16 113.16 1iqg n TYR 60 Ca 0.23 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.93 1iqg n TYR 60 Cb 0.57 0.01 0.30 0.00 -0.31 0.00 0.00 39.34 39.90 1iqg n TYR 60 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1iqg n GLN 61 N 0.00 3.63 -3.65 -0.72 3.00 -1.16 -4.94 117.38 113.54 1iqg n GLN 61 Ca 0.00 -3.09 -0.03 0.00 -0.01 0.00 0.00 57.00 53.88 1iqg n GLN 61 Cb 0.08 -2.16 -0.06 0.00 0.00 0.00 0.00 30.24 28.10 1iqg n GLN 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1iqg s ALA 61 N -2.98 -2.20 0.00 -1.58 0.00 -1.26 -5.01 121.76 108.72 1iqg s ALA 61 Ca 0.53 1.72 0.00 0.00 0.00 0.00 0.00 51.96 54.21 1iqg s ALA 61 Cb 0.43 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.82 1iqg s ALA 61 CO 0.12 -0.13 0.50 1.17 0.00 0.00 0.00 175.76 177.43 1iqg n LYS 62 N 1.37 0.00 -4.48 0.00 4.81 -1.26 -4.85 118.16 113.75 1iqg n LYS 62 Ca -0.08 0.49 -0.30 0.00 -0.87 0.00 0.00 58.31 57.54 1iqg n LYS 62 Cb 0.57 -1.24 -0.12 0.00 0.02 0.00 0.00 35.03 34.26 1iqg n LYS 62 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1iqg s ARG 63 N -1.98 2.04 0.02 1.64 3.52 -1.26 -5.09 118.95 117.85 1iqg s ARG 63 Ca 0.00 -1.02 -0.20 0.00 -0.13 0.00 0.00 55.73 54.37 1iqg s ARG 63 Cb 0.00 -2.21 0.04 0.00 -1.56 0.00 0.00 34.95 31.22 1iqg s ARG 63 CO 0.00 0.52 0.46 -0.59 -0.81 0.00 0.00 175.30 174.88 1iqg s PHE 64 N -1.04 -0.34 0.44 5.12 -0.71 -1.26 -3.36 117.98 116.83 1iqg s PHE 64 Ca 0.17 0.41 0.07 0.00 -1.04 0.00 0.00 56.93 56.54 1iqg s PHE 64 Cb -0.11 0.25 -0.03 0.00 -1.21 0.00 0.00 43.02 41.93 1iqg s PHE 64 CO 0.08 -0.56 0.26 0.15 -1.34 0.00 0.00 175.22 173.81 1iqg s LYS 65 N -2.11 2.31 -0.10 1.99 -0.14 0.12 -4.58 119.74 117.23 1iqg s LYS 65 Ca -0.07 -1.81 0.04 0.00 -1.36 0.00 0.00 55.97 52.77 1iqg s LYS 65 Cb -0.01 -2.09 0.00 0.00 -1.68 0.00 0.00 37.83 34.04 1iqg s LYS 65 CO 0.01 -0.23 -0.24 0.54 -0.76 0.00 0.00 175.35 174.67 1iqg s VAL 66 N -2.60 2.05 -0.02 3.17 0.11 -0.37 -0.68 120.40 122.05 1iqg s VAL 66 Ca 0.41 -1.01 0.03 0.00 -2.93 0.00 0.00 61.98 58.47 1iqg s VAL 66 Cb 0.01 -1.77 -0.03 0.00 -1.53 0.00 0.00 36.38 33.06 1iqg s VAL 66 CO 0.23 0.56 -0.08 -0.60 -3.33 0.00 0.00 175.10 171.88 1iqg s ARG 67 N 0.37 2.59 0.09 1.54 3.52 0.15 -0.86 118.95 126.36 1iqg s ARG 67 Ca -0.18 -0.67 0.03 0.00 -0.13 0.00 0.00 55.73 54.78 1iqg s ARG 67 Cb -0.18 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.67 1iqg s ARG 67 CO 0.08 0.62 -0.09 0.14 -0.81 0.00 0.00 175.30 175.24 1iqg s VAL 68 N -0.91 0.88 0.00 7.11 -7.23 -0.89 -0.57 120.40 118.79 1iqg s VAL 68 Ca 0.15 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1iqg s VAL 68 Cb -0.11 -1.37 0.00 0.00 0.56 0.00 0.00 36.38 35.46 1iqg s VAL 68 CO 0.05 -0.60 0.00 0.61 -0.31 0.00 0.00 175.10 174.85 1iqg n GLY 69 N 0.51 0.61 3.84 2.32 0.00 -1.22 -2.16 105.19 109.10 1iqg n GLY 69 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1iqg n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iqg s ASP 70 N -2.30 6.73 0.00 1.61 -1.08 -1.26 -4.32 116.67 116.05 1iqg s ASP 70 Ca 0.00 0.86 0.00 0.00 -0.52 0.00 0.00 52.55 52.89 1iqg s ASP 70 Cb 0.00 -2.22 0.00 0.00 -1.46 0.00 0.00 42.92 39.24 1iqg s ASP 70 CO 0.00 0.33 0.00 0.54 0.52 0.00 0.00 175.17 176.56 1iqg n ARG 71 N 1.91 3.26 -3.47 4.34 1.74 -1.26 -4.85 116.66 118.33 1iqg n ARG 71 Ca -0.15 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.67 1iqg n ARG 71 Cb 0.53 -0.49 -0.12 0.00 -1.02 0.00 0.00 32.46 31.36 1iqg n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1iqg s ASN 72 N -0.73 2.81 0.00 0.55 3.84 -1.26 -1.37 114.94 118.78 1iqg s ASN 72 Ca 0.00 -1.65 0.00 0.00 0.21 0.00 0.00 52.86 51.42 1iqg s ASN 72 Cb 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 41.25 40.53 1iqg s ASN 72 CO 0.00 -0.36 0.00 0.35 -2.79 0.00 0.00 177.10 174.30 1iqg n THR 73 N 4.62 0.00 0.00 -5.21 -2.24 0.22 -2.22 114.28 109.45 1iqg n THR 73 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1iqg n THR 73 Cb 0.41 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1iqg n THR 73 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1iqg n GLU 74 N -0.35 0.88 -3.11 -0.78 0.28 -1.26 -4.96 120.64 111.34 1iqg n GLU 74 Ca 0.00 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.55 1iqg n GLU 74 Cb 0.00 -0.63 -0.02 0.00 1.43 0.00 0.00 31.44 32.22 1iqg n GLU 74 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1iqg s GLN 75 N -1.26 3.73 -0.79 3.44 1.11 -0.94 -4.96 119.66 119.98 1iqg s GLN 75 Ca 0.00 -2.26 -0.12 0.00 0.01 0.00 0.00 55.36 52.99 1iqg s GLN 75 Cb 0.00 -4.74 -0.24 0.00 -1.01 0.00 0.00 33.01 27.02 1iqg s GLN 75 CO 0.00 -1.56 2.00 -1.91 0.01 0.00 0.00 175.29 173.83 1iqg n GLU 76 N 5.17 0.11 0.05 2.91 4.07 -1.26 -4.69 120.64 127.00 1iqg n GLU 76 Ca 0.22 -0.26 0.04 0.00 -0.06 0.00 0.00 57.16 57.10 1iqg n GLU 76 Cb 0.47 -1.67 0.19 0.00 -0.06 0.00 0.00 31.44 30.36 1iqg n GLU 76 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1iqg n GLU 77 N 6.10 0.04 0.00 5.31 1.02 -1.26 -4.79 120.64 127.06 1iqg n GLU 77 Ca 0.51 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 58.19 1iqg n GLU 77 Cb 0.27 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1iqg n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iqg n GLY 78 N -1.39 1.81 1.17 0.62 0.00 -1.26 -4.75 105.19 101.38 1iqg n GLY 78 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1iqg n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqg n GLY 79 N -1.81 1.88 3.98 -0.02 0.00 -1.26 -4.94 105.19 103.01 1iqg n GLY 79 Ca 0.00 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 1iqg n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iqg s GLU 80 N -1.67 1.77 -0.29 1.61 8.01 -1.26 -4.70 118.70 122.18 1iqg s GLU 80 Ca 0.36 -0.94 -0.16 0.00 0.01 0.00 0.00 54.97 54.24 1iqg s GLU 80 Cb 0.23 -2.31 0.12 0.00 -4.31 0.00 0.00 34.13 27.86 1iqg s GLU 80 CO 0.19 -1.39 0.85 0.00 0.01 0.00 0.00 175.26 174.92 1iqg s ALA 81 N -3.15 -2.16 -0.01 5.21 0.00 -0.92 -5.01 121.76 115.73 1iqg s ALA 81 Ca 0.65 2.28 -0.04 0.00 0.00 0.00 0.00 51.96 54.85 1iqg s ALA 81 Cb -0.06 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.37 1iqg s ALA 81 CO 0.44 -0.45 0.20 0.08 0.00 0.00 0.00 175.76 176.03 1iqg s VAL 82 N 1.64 5.41 0.04 0.00 1.01 -1.26 -2.09 120.40 125.15 1iqg s VAL 82 Ca -0.09 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 61.88 1iqg s VAL 82 Cb -0.05 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1iqg s VAL 82 CO -0.17 0.36 -0.11 -1.00 0.00 0.00 0.00 175.10 174.18 1iqg s HIS 83 N -1.29 0.93 0.16 5.22 3.76 -0.04 -5.01 115.29 119.02 1iqg s HIS 83 Ca 0.26 -0.40 -0.01 0.00 -0.15 0.00 0.00 55.06 54.76 1iqg s HIS 83 Cb -0.13 -0.55 -0.04 0.00 1.11 0.00 0.00 32.58 32.97 1iqg s HIS 83 CO 0.17 -0.01 0.34 -1.21 -0.85 0.00 0.00 174.74 173.18 1iqg s GLU 84 N -1.33 3.52 -0.16 1.40 2.02 -1.26 -1.24 118.70 121.65 1iqg s GLU 84 Ca -0.04 -0.33 -0.19 0.00 0.02 0.00 0.00 54.97 54.43 1iqg s GLU 84 Cb -0.08 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 1iqg s GLU 84 CO 0.01 0.47 0.52 0.08 0.02 0.00 0.00 175.26 176.36 1iqg s VAL 85 N -1.74 5.13 -0.15 2.63 1.01 -1.26 -0.90 120.40 125.11 1iqg s VAL 85 Ca 0.38 1.00 -0.12 0.00 0.00 0.00 0.00 61.98 63.24 1iqg s VAL 85 Cb -0.12 -3.85 -0.23 0.00 0.00 0.00 0.00 36.38 32.18 1iqg s VAL 85 CO 0.28 0.23 0.29 1.21 0.00 0.00 0.00 175.10 177.11 1iqg n GLU 86 N 4.33 0.69 -3.83 2.72 2.13 -0.29 -4.80 120.64 121.59 1iqg n GLU 86 Ca -0.05 0.36 -0.12 0.00 0.66 0.00 0.00 57.16 58.01 1iqg n GLU 86 Cb 0.51 -1.71 -0.12 0.00 0.27 0.00 0.00 31.44 30.38 1iqg n GLU 86 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1iqg s VAL 87 N -2.49 0.01 -0.24 6.31 -7.23 -1.10 -5.03 120.40 110.63 1iqg s VAL 87 Ca -0.25 -0.12 -0.04 0.00 -1.81 0.00 0.00 61.98 59.76 1iqg s VAL 87 Cb 0.07 -0.27 -0.00 0.00 0.56 0.00 0.00 36.38 36.73 1iqg s VAL 87 CO 0.70 -0.07 -0.01 0.68 -0.31 0.00 0.00 175.10 176.10 1iqg s VAL 88 N -0.16 3.52 -0.64 1.32 -7.23 -1.26 -1.57 120.40 114.38 1iqg s VAL 88 Ca -0.03 -0.58 -0.10 0.00 -1.81 0.00 0.00 61.98 59.46 1iqg s VAL 88 Cb -0.02 -2.68 0.17 0.00 0.56 0.00 0.00 36.38 34.40 1iqg s VAL 88 CO 0.00 0.31 0.54 -0.63 -0.31 0.00 0.00 175.10 175.01 1iqg s ILE 89 N 1.47 4.71 0.16 -0.62 1.01 0.61 -5.00 121.20 123.55 1iqg s ILE 89 Ca 0.04 -2.28 -0.14 0.00 0.00 0.00 0.00 60.65 58.27 1iqg s ILE 89 Cb -0.15 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.24 1iqg s ILE 89 CO -0.02 -0.90 0.57 -0.75 0.00 0.00 0.00 174.94 173.84 1iqg s LYS 90 N 0.62 3.99 0.11 2.79 2.20 -1.26 -0.97 119.74 127.22 1iqg s LYS 90 Ca 0.12 0.51 -0.31 0.00 -0.36 0.00 0.00 55.97 55.94 1iqg s LYS 90 Cb -0.20 -2.89 -0.07 0.00 -1.51 0.00 0.00 37.83 33.16 1iqg s LYS 90 CO -0.04 0.45 1.30 -1.58 -0.36 0.00 0.00 175.35 175.13 1iqg s HIS 91 N -1.51 3.32 0.08 4.03 5.65 -1.21 -4.93 115.29 120.72 1iqg s HIS 91 Ca 0.39 1.13 -0.24 0.00 0.25 0.00 0.00 55.06 56.60 1iqg s HIS 91 Cb -0.15 -3.57 -0.15 0.00 -1.18 0.00 0.00 32.58 27.53 1iqg s HIS 91 CO 0.19 -1.88 1.71 -0.91 -0.65 0.00 0.00 174.74 173.21 1iqg h ASN 92 N 6.55 -0.04 0.00 9.88 4.21 -1.94 -2.69 115.58 131.55 1iqg h ASN 92 Ca -0.42 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.07 1iqg h ASN 92 Cb 1.21 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 1iqg h ASN 92 CO 0.83 -0.01 0.00 0.54 -1.29 0.00 0.00 177.43 177.50 1iqg n ARG 93 N -5.10 0.49 -2.11 0.81 1.74 -1.26 -4.80 116.66 106.43 1iqg n ARG 93 Ca -0.07 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.59 1iqg n ARG 93 Cb 0.06 -1.27 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 1iqg n ARG 93 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1iqg s PHE 94 N -2.00 3.16 -0.05 -1.55 5.36 -1.02 -4.71 117.98 117.18 1iqg s PHE 94 Ca 0.13 1.02 0.02 0.00 -0.96 0.00 0.00 56.93 57.13 1iqg s PHE 94 Cb 0.06 -3.73 0.01 0.00 -0.34 0.00 0.00 43.02 39.02 1iqg s PHE 94 CO 0.10 -2.44 -0.09 0.95 -1.46 0.00 0.00 175.22 172.28 1iqg s THR 95 N 0.47 0.82 0.28 0.12 -4.23 -1.09 -5.03 115.64 106.98 1iqg s THR 95 Ca 0.61 -0.32 0.07 0.00 -1.18 0.00 0.00 61.69 60.87 1iqg s THR 95 Cb -0.39 -0.77 0.01 0.00 1.34 0.00 0.00 72.50 72.69 1iqg s THR 95 CO 0.37 0.28 1.65 0.11 -0.54 0.00 0.00 174.62 176.48 1iqg h LYS 96 N 6.86 0.17 0.00 3.99 1.79 -1.95 -0.07 116.57 127.36 1iqg h LYS 96 Ca -0.34 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1iqg h LYS 96 Cb 1.17 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1iqg h LYS 96 CO 0.48 0.64 0.00 -0.85 -1.08 0.00 0.00 179.45 178.64 1iqg n GLU 97 N -3.94 0.21 0.00 3.15 0.00 -1.26 -3.51 120.64 115.28 1iqg n GLU 97 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 57.16 57.28 1iqg n GLU 97 Cb 0.54 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.48 1iqg n GLU 97 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1iqg n THR 98 N -1.32 0.00 -1.24 3.84 -2.24 -1.20 -5.01 114.28 107.11 1iqg n THR 98 Ca 0.07 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.77 1iqg n THR 98 Cb 0.14 1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 69.50 1iqg n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1iqg n TYR 99 N 0.00 0.00 -2.62 4.78 4.01 -0.04 -4.95 117.16 118.34 1iqg n TYR 99 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 1iqg n TYR 99 Cb 0.08 -2.53 -0.05 0.00 -0.31 0.00 0.00 39.34 36.52 1iqg n TYR 99 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1iqg s ASP 100 N -2.33 6.94 -1.21 7.72 2.15 -1.23 -3.44 116.67 125.28 1iqg s ASP 100 Ca 0.00 1.97 -0.02 0.00 0.43 0.00 0.00 52.55 54.93 1iqg s ASP 100 Cb 0.00 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1iqg s ASP 100 CO 0.00 -0.36 1.03 0.49 -0.17 0.00 0.00 175.17 176.16 1iqg n PHE 101 N 0.11 -2.32 -2.15 -5.34 3.01 -1.26 -2.65 117.46 106.85 1iqg n PHE 101 Ca 0.04 0.94 -0.42 0.00 1.01 0.00 0.00 57.45 59.02 1iqg n PHE 101 Cb 0.50 -5.00 0.00 0.00 -0.01 0.00 0.00 39.48 34.97 1iqg n PHE 101 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1iqg n ASP 102 N -3.03 4.90 -4.08 4.37 2.03 -1.22 -4.28 116.55 115.24 1iqg n ASP 102 Ca -0.20 -3.04 -0.08 0.00 0.52 0.00 0.00 54.79 51.99 1iqg n ASP 102 Cb 0.64 -1.52 -0.09 0.00 -0.72 0.00 0.00 41.12 39.42 1iqg n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1iqg s ILE 103 N 1.08 0.15 -0.19 5.18 2.07 -1.26 -3.90 121.20 124.33 1iqg s ILE 103 Ca 0.42 -1.74 -0.29 0.00 -1.41 0.00 0.00 60.65 57.63 1iqg s ILE 103 Cb 0.11 -1.72 0.13 0.00 0.13 0.00 0.00 42.46 41.11 1iqg s ILE 103 CO -0.02 -0.70 1.05 0.00 -1.91 0.00 0.00 174.94 173.35 1iqg s ALA 104 N -3.97 -1.96 -0.05 1.50 0.00 0.77 -3.35 121.76 114.71 1iqg s ALA 104 Ca 0.14 1.65 0.05 0.00 0.00 0.00 0.00 51.96 53.81 1iqg s ALA 104 Cb 0.07 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 1iqg s ALA 104 CO -0.05 -0.29 -0.21 0.08 0.00 0.00 0.00 175.76 175.29 1iqg s VAL 105 N -0.92 1.72 -0.20 0.00 1.01 -0.14 -0.81 120.40 121.06 1iqg s VAL 105 Ca 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 1iqg s VAL 105 Cb -0.01 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.89 1iqg s VAL 105 CO -0.01 0.49 -0.04 -0.76 0.00 0.00 0.00 175.10 174.78 1iqg s LEU 106 N -0.09 3.05 -0.28 3.92 1.43 0.21 -0.29 118.68 126.63 1iqg s LEU 106 Ca -0.03 -0.29 -0.16 0.00 -1.03 0.00 0.00 54.13 52.63 1iqg s LEU 106 Cb -0.12 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1iqg s LEU 106 CO 0.03 0.05 0.42 -0.60 0.23 0.00 0.00 176.35 176.48 1iqg s ARG 107 N 1.06 3.95 0.67 1.70 6.06 -0.61 -0.56 118.95 131.23 1iqg s ARG 107 Ca 0.01 0.05 -0.12 0.00 -2.50 0.00 0.00 55.73 53.18 1iqg s ARG 107 Cb -0.15 -3.68 -0.01 0.00 0.06 0.00 0.00 34.95 31.17 1iqg s ARG 107 CO 0.00 -0.35 1.05 -0.51 -2.50 0.00 0.00 175.30 172.99 1iqg s LEU 108 N 2.16 3.21 0.02 -0.88 1.43 0.30 -1.14 118.68 123.78 1iqg s LEU 108 Ca 0.17 1.62 -0.15 0.00 -1.03 0.00 0.00 54.13 54.74 1iqg s LEU 108 Cb -0.16 -4.50 -0.35 0.00 0.03 0.00 0.00 46.19 41.22 1iqg s LEU 108 CO 0.10 -1.30 0.96 0.50 0.23 0.00 0.00 176.35 176.84 1iqg h LYS 109 N -0.46 0.51 -6.45 1.70 3.11 -1.33 -3.41 116.57 110.25 1iqg h LYS 109 Ca -0.44 -0.88 -0.61 0.00 -2.81 0.00 0.00 60.65 55.91 1iqg h LYS 109 Cb 1.21 0.33 -0.22 0.00 -1.00 0.00 0.00 32.23 32.55 1iqg h LYS 109 CO 0.58 1.42 -0.84 0.95 -2.81 0.00 0.00 179.45 178.74 1iqg s THR 110 N -2.60 1.94 0.37 1.00 -4.23 -1.26 -5.03 115.64 105.83 1iqg s THR 110 Ca -0.10 -1.65 -0.27 0.00 -1.18 0.00 0.00 61.69 58.49 1iqg s THR 110 Cb 0.04 -1.75 -0.10 0.00 1.34 0.00 0.00 72.50 72.04 1iqg s THR 110 CO 0.93 -0.01 1.32 -2.84 -0.54 0.00 0.00 174.62 173.48 1iqg s PRO 111 N -2.02 4.16 -0.10 3.99 0.02 -1.26 -4.83 135.00 134.96 1iqg s PRO 111 Ca 0.10 2.21 -0.27 0.00 0.02 0.00 0.00 61.00 63.06 1iqg s PRO 111 Cb -0.10 -2.92 -0.02 0.00 0.02 0.00 0.00 34.50 31.49 1iqg s PRO 111 CO 0.05 -0.35 0.89 0.42 -0.33 0.00 0.00 177.00 177.68 1iqg s ILE 112 N -1.20 4.88 -0.24 2.83 1.01 0.60 -5.01 121.20 124.07 1iqg s ILE 112 Ca 0.53 1.80 -0.20 0.00 0.00 0.00 0.00 60.65 62.78 1iqg s ILE 112 Cb -0.39 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 37.85 1iqg s ILE 112 CO 0.52 0.08 0.61 0.42 0.00 0.00 0.00 174.94 176.57 1iqg s THR 113 N 1.67 5.01 -0.07 2.92 -4.23 -1.26 -4.73 115.64 114.96 1iqg s THR 113 Ca 0.44 1.11 -0.29 0.00 -1.18 0.00 0.00 61.69 61.76 1iqg s THR 113 Cb -0.18 -3.92 -0.02 0.00 1.34 0.00 0.00 72.50 69.72 1iqg s THR 113 CO 0.18 0.06 0.99 -0.36 -0.54 0.00 0.00 174.62 174.95 1iqg s PHE 114 N 2.27 3.56 0.00 3.99 0.08 -1.26 -4.94 117.98 121.69 1iqg s PHE 114 Ca 0.26 1.61 0.00 0.00 0.12 0.00 0.00 56.93 58.93 1iqg s PHE 114 Cb -0.16 -3.15 0.00 0.00 -0.57 0.00 0.00 43.02 39.14 1iqg s PHE 114 CO 0.09 -0.15 0.00 2.89 -0.10 0.00 0.00 175.22 177.95 1iqg n ARG 115 N 4.62 0.00 -1.73 0.44 0.00 -0.71 -5.02 116.66 114.25 1iqg n ARG 115 Ca 0.07 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.50 1iqg n ARG 115 Cb 0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 32.46 32.93 1iqg n ARG 115 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 1iqg n MET 116 N 0.00 2.73 -1.25 2.89 0.00 -1.26 -1.61 117.12 118.62 1iqg n MET 116 Ca 0.00 0.98 -0.08 0.00 -0.00 0.00 0.00 57.70 58.60 1iqg n MET 116 Cb 0.00 -2.80 -0.04 0.00 0.00 0.00 0.00 33.22 30.39 1iqg n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1iqg n ASN 117 N 3.16 -4.55 -3.39 6.12 4.13 -1.26 -4.93 115.26 114.54 1iqg n ASN 117 Ca 0.13 0.21 -0.18 0.00 1.68 0.00 0.00 54.58 56.42 1iqg n ASN 117 Cb 0.36 -2.80 -0.09 0.00 -1.54 0.00 0.00 39.78 35.71 1iqg n ASN 117 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1iqg s VAL 118 N -2.14 -0.33 0.02 2.41 1.01 -0.64 -3.38 120.40 117.36 1iqg s VAL 118 Ca 0.00 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 60.98 1iqg s VAL 118 Cb 0.00 -0.86 0.04 0.00 0.00 0.00 0.00 36.38 35.56 1iqg s VAL 118 CO 0.00 -0.56 0.45 0.00 0.00 0.00 0.00 175.10 174.99 1iqg s ALA 119 N 1.87 -1.14 0.33 5.51 0.00 -0.75 -1.74 121.76 125.83 1iqg s ALA 119 Ca 0.13 0.52 -0.17 0.00 0.00 0.00 0.00 51.96 52.44 1iqg s ALA 119 Cb -0.15 0.25 -0.09 0.00 0.00 0.00 0.00 23.12 23.12 1iqg s ALA 119 CO -0.18 -0.41 0.78 -1.25 0.00 0.00 0.00 175.76 174.70 1iqg s PRO 120 N -2.04 4.10 0.23 0.00 0.04 -1.26 -2.35 135.00 133.72 1iqg s PRO 120 Ca -0.08 0.81 -0.15 0.00 0.04 0.00 0.00 61.00 61.62 1iqg s PRO 120 Cb -0.02 -2.46 -0.08 0.00 0.04 0.00 0.00 34.50 31.99 1iqg s PRO 120 CO 0.01 0.16 0.65 0.00 0.04 0.00 0.00 177.00 177.85 1iqg s ALA 121 N -1.95 3.46 0.35 8.56 0.00 -0.28 -4.90 121.76 127.01 1iqg s ALA 121 Ca 0.54 -0.03 -0.25 0.00 0.00 0.00 0.00 51.96 52.22 1iqg s ALA 121 Cb -0.11 -2.66 -0.10 0.00 0.00 0.00 0.00 23.12 20.26 1iqg s ALA 121 CO 0.17 0.40 0.99 0.00 0.00 0.00 0.00 175.76 177.32 1iqg s LEU 123 N -2.29 4.12 0.81 0.00 2.01 -1.26 -0.59 118.68 121.47 1iqg s LEU 123 Ca 0.53 0.56 -0.07 0.00 0.01 0.00 0.00 54.13 55.16 1iqg s LEU 123 Cb -0.20 -2.61 0.14 0.00 0.01 0.00 0.00 46.19 43.53 1iqg s LEU 123 CO 0.26 -0.17 1.12 -2.16 1.01 0.00 0.00 176.35 176.41 1iqg s PRO 124 N 1.69 1.37 0.10 1.29 0.04 -1.26 -4.99 135.00 133.24 1iqg s PRO 124 Ca 0.21 -0.72 -0.20 0.00 0.04 0.00 0.00 61.00 60.34 1iqg s PRO 124 Cb -0.15 -2.12 -0.07 0.00 0.04 0.00 0.00 34.50 32.19 1iqg s PRO 124 CO 0.09 -1.78 0.61 -2.00 0.04 0.00 0.00 177.00 173.96 1iqg s GLU 124 N -5.44 4.23 0.16 4.56 -6.30 -1.26 -4.97 118.70 109.68 1iqg s GLU 124 Ca 0.68 0.78 -0.25 0.00 -2.50 0.00 0.00 54.97 53.68 1iqg s GLU 124 Cb -0.06 -3.18 0.04 0.00 0.00 0.00 0.00 34.13 30.93 1iqg s GLU 124 CO 0.48 0.59 1.58 -0.09 0.02 0.00 0.00 175.26 177.84 1iqg h ARG 125 N 4.31 -0.26 0.07 4.30 1.12 -1.97 -0.75 114.38 121.19 1iqg h ARG 125 Ca -0.49 0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.39 1iqg h ARG 125 Cb 1.21 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.23 1iqg h ARG 125 CO 0.64 -0.17 -0.03 -0.44 -3.11 0.00 0.00 179.97 176.85 1iqg h ASP 126 N -0.27 -0.08 -0.90 -3.80 3.45 -1.95 -2.85 116.42 110.02 1iqg h ASP 126 Ca 0.17 -0.37 0.13 0.00 0.43 0.00 0.00 57.03 57.38 1iqg h ASP 126 Cb 0.57 0.02 -0.09 0.00 -0.56 0.00 0.00 39.33 39.27 1iqg h ASP 126 CO -0.59 0.34 0.52 -0.25 -1.57 0.00 0.00 179.24 177.69 1iqg h TRP 127 N -0.51 0.94 0.41 4.55 7.01 -1.97 -1.13 115.95 125.25 1iqg h TRP 127 Ca -0.01 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 1iqg h TRP 127 Cb 0.44 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.22 1iqg h TRP 127 CO 0.06 0.32 -0.20 0.00 -2.79 0.00 0.00 178.44 175.84 1iqg h ALA 128 N 1.53 -0.55 -0.08 2.65 0.00 -1.12 0.67 119.26 122.35 1iqg h ALA 128 Ca 0.47 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1iqg h ALA 128 Cb 0.54 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1iqg h ALA 128 CO -0.30 -0.81 -0.14 0.93 0.00 0.00 0.00 179.25 178.93 1iqg h GLU 129 N -0.56 0.13 0.17 0.00 5.08 -1.22 0.33 114.58 118.51 1iqg h GLU 129 Ca -0.06 -0.03 -0.34 0.00 -1.00 0.00 0.00 59.36 57.94 1iqg h GLU 129 Cb 0.43 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.66 1iqg h GLU 129 CO 0.09 0.28 -1.67 1.03 -1.00 0.00 0.00 179.01 177.73 1iqg h SER 130 N 0.13 0.58 0.00 1.42 0.87 -0.97 -3.39 113.55 112.18 1iqg h SER 130 Ca 0.03 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.66 1iqg h SER 130 Cb 0.33 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1iqg h SER 130 CO 0.02 1.75 -1.26 0.41 -0.53 0.00 0.00 176.83 177.22 1iqg n THR 131 N -3.67 0.00 -0.10 2.23 -1.04 0.23 -4.48 114.28 107.46 1iqg n THR 131 Ca -0.25 -0.20 -0.15 0.00 -2.04 0.00 0.00 64.05 61.41 1iqg n THR 131 Cb 1.04 0.39 -0.06 0.00 -1.82 0.00 0.00 70.33 69.88 1iqg n THR 131 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1iqg n LEU 131 N -1.72 1.87 0.00 -4.42 4.32 0.10 -4.13 117.00 113.03 1iqg n LEU 131 Ca -0.01 0.47 0.12 0.00 -0.02 0.00 0.00 56.01 56.57 1iqg n LEU 131 Cb 0.20 -0.87 0.72 0.00 -1.62 0.00 0.00 43.42 41.85 1iqg n LEU 131 CO 0.17 -0.03 0.90 0.23 -1.22 0.00 0.00 177.39 177.44 1iqg n MET 131 N -4.47 0.75 0.00 3.23 2.81 -0.36 -1.54 117.12 117.54 1iqg n MET 131 Ca -0.24 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 55.77 1iqg n MET 131 Cb 0.54 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.62 1iqg n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1iqg n THR 132 N -1.01 0.00 -1.48 2.03 -2.24 -1.26 -4.91 114.28 105.42 1iqg n THR 132 Ca 0.18 -0.34 -0.33 0.00 -2.27 0.00 0.00 64.05 61.29 1iqg n THR 132 Cb 0.09 1.28 0.08 0.00 -2.10 0.00 0.00 70.33 69.68 1iqg n THR 132 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1iqg s GLN 133 N -2.30 2.35 0.18 -0.78 2.00 -0.59 -4.93 119.66 115.60 1iqg s GLN 133 Ca 0.23 1.46 -0.09 0.00 -2.00 0.00 0.00 55.36 54.96 1iqg s GLN 133 Cb 0.19 -1.89 0.07 0.00 0.80 0.00 0.00 33.01 32.18 1iqg s GLN 133 CO 0.47 -1.61 1.61 0.87 -0.50 0.00 0.00 175.29 176.13 1iqg h LYS 134 N -0.46 1.02 -4.85 1.67 1.79 -1.91 -3.42 116.57 110.41 1iqg h LYS 134 Ca -0.46 -0.37 -0.41 0.00 -2.18 0.00 0.00 60.65 57.24 1iqg h LYS 134 Cb 1.26 -0.07 -0.14 0.00 -1.58 0.00 0.00 32.23 31.70 1iqg h LYS 134 CO 0.51 1.05 -0.55 0.95 -1.08 0.00 0.00 179.45 180.33 1iqg s THR 135 N -4.86 0.25 0.25 -0.16 -4.23 -1.26 -1.20 115.64 104.43 1iqg s THR 135 Ca -0.11 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.37 1iqg s THR 135 Cb 0.13 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.44 1iqg s THR 135 CO 0.86 0.00 0.29 -0.83 -0.54 0.00 0.00 174.62 174.40 1iqg s GLY 136 N -3.35 1.37 -0.10 3.99 0.00 -0.92 -4.69 107.32 103.62 1iqg s GLY 136 Ca 0.36 -1.54 0.03 0.00 0.00 0.00 0.00 44.72 43.58 1iqg s GLY 136 CO 0.18 -1.17 -0.22 -0.42 0.00 0.00 0.00 173.10 171.48 1iqg s ILE 137 N -3.83 2.26 0.02 0.90 -1.09 0.36 -1.04 121.20 118.77 1iqg s ILE 137 Ca 0.34 -0.95 0.08 0.00 -2.23 0.00 0.00 60.65 57.89 1iqg s ILE 137 Cb 0.03 -1.88 -0.03 0.00 -1.58 0.00 0.00 42.46 39.01 1iqg s ILE 137 CO 0.15 0.55 -0.23 0.54 -1.23 0.00 0.00 174.94 174.72 1iqg s VAL 138 N 0.30 2.36 0.10 2.92 0.11 -0.60 0.28 120.40 125.86 1iqg s VAL 138 Ca -0.16 -1.19 -0.07 0.00 -2.93 0.00 0.00 61.98 57.62 1iqg s VAL 138 Cb -0.17 -1.91 -0.01 0.00 -1.53 0.00 0.00 36.38 32.76 1iqg s VAL 138 CO 0.08 0.45 0.17 -0.94 -3.33 0.00 0.00 175.10 171.53 1iqg s SER 139 N -1.05 0.16 0.00 3.54 1.04 -1.12 0.08 113.70 116.35 1iqg s SER 139 Ca 0.12 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1iqg s SER 139 Cb -0.10 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1iqg s SER 139 CO 0.02 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1iqg n GLY 140 N -0.07 -0.80 1.32 7.32 0.00 -0.67 -4.23 105.19 108.06 1iqg n GLY 140 Ca -0.13 -1.14 0.08 0.00 0.00 0.00 0.00 46.02 44.83 1iqg n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iqg n PHE 141 N -0.48 1.38 -1.14 1.61 3.72 -1.26 -1.79 117.46 119.48 1iqg n PHE 141 Ca 0.00 -0.75 -0.30 0.00 -0.05 0.00 0.00 57.45 56.35 1iqg n PHE 141 Cb 0.00 -0.34 0.23 0.00 -0.94 0.00 0.00 39.48 38.42 1iqg n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1iqg s GLY 142 N -1.30 1.59 0.50 1.37 0.00 -1.26 -0.78 107.32 107.43 1iqg s GLY 142 Ca 0.46 -0.87 -0.21 0.00 0.00 0.00 0.00 44.72 44.10 1iqg s GLY 142 CO 0.15 -0.03 0.90 0.54 0.00 0.00 0.00 173.10 174.66 1iqg n ARG 143 N -4.61 1.06 0.16 2.90 3.00 0.80 -2.33 116.66 117.63 1iqg n ARG 143 Ca 0.12 0.39 0.12 0.00 -0.01 0.00 0.00 57.85 58.47 1iqg n ARG 143 Cb 0.59 -2.01 0.10 0.00 0.00 0.00 0.00 32.46 31.15 1iqg n ARG 143 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1iqg h THR 144 N 0.99 0.00 -3.66 0.55 2.02 -1.69 -1.08 112.91 110.05 1iqg h THR 144 Ca -0.46 -0.97 -0.07 0.00 0.77 0.00 0.00 66.41 65.68 1iqg h THR 144 Cb 1.36 1.73 -0.14 0.00 -1.74 0.00 0.00 68.15 69.36 1iqg h THR 144 CO 0.53 0.00 -0.27 -2.28 0.37 0.00 0.00 175.52 173.87 1iqg s HIS 145 N -3.27 0.03 0.15 3.16 5.65 -1.26 -4.26 115.29 115.48 1iqg s HIS 145 Ca 0.04 -0.41 -0.19 0.00 0.25 0.00 0.00 55.06 54.75 1iqg s HIS 145 Cb 0.07 0.05 0.04 0.00 -1.18 0.00 0.00 32.58 31.57 1iqg s HIS 145 CO 0.72 -0.59 1.68 1.49 -0.65 0.00 0.00 174.74 177.39 1iqg h GLU 147 N 2.64 -0.02 0.00 2.88 4.81 -1.90 -2.23 114.58 120.75 1iqg h GLU 147 Ca -0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1iqg h GLU 147 Cb 1.22 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1iqg h GLU 147 CO 0.53 -0.02 -0.42 0.87 -0.73 0.00 0.00 179.01 179.25 1iqg h LYS 148 N -0.03 0.00 0.00 1.92 1.57 -1.97 -3.48 116.57 114.58 1iqg h LYS 148 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1iqg h LYS 148 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1iqg h LYS 148 CO -0.33 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 178.96 1iqg n GLY 149 N 1.15 -2.79 3.72 3.86 0.00 -0.84 -5.06 105.19 105.23 1iqg n GLY 149 Ca 0.02 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 1iqg n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iqg s ARG 150 N -1.49 2.55 0.59 1.61 1.70 -1.26 -4.88 118.95 117.77 1iqg s ARG 150 Ca 0.00 -1.27 -0.18 0.00 -0.47 0.00 0.00 55.73 53.81 1iqg s ARG 150 Cb 0.00 -2.33 -0.06 0.00 -0.57 0.00 0.00 34.95 32.00 1iqg s ARG 150 CO 0.00 0.38 0.87 0.94 -1.08 0.00 0.00 175.30 176.41 1iqg n GLN 151 N -0.99 0.81 -2.99 3.89 -0.06 -1.26 -3.11 117.38 113.68 1iqg n GLN 151 Ca -0.07 0.32 -0.36 0.00 -2.00 0.00 0.00 57.00 54.89 1iqg n GLN 151 Cb 0.58 -2.06 -0.06 0.00 -4.06 0.00 0.00 30.24 24.64 1iqg n GLN 151 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1iqg s SER 152 N -1.23 7.13 0.23 1.69 0.15 0.04 -4.85 113.70 116.87 1iqg s SER 152 Ca 0.74 1.56 0.23 0.00 0.70 0.00 0.00 55.95 59.18 1iqg s SER 152 Cb -0.43 -2.47 0.09 0.00 -1.71 0.00 0.00 66.02 61.50 1iqg s SER 152 CO 0.49 -0.03 1.16 0.74 1.20 0.00 0.00 173.24 176.80 1iqg h THR 153 N 2.62 0.00 -3.38 6.45 2.02 -1.91 -3.45 112.91 115.26 1iqg h THR 153 Ca -0.48 -0.95 -0.65 0.00 0.77 0.00 0.00 66.41 65.11 1iqg h THR 153 Cb 1.19 1.54 -0.16 0.00 -1.74 0.00 0.00 68.15 68.98 1iqg h THR 153 CO 0.65 0.00 -0.75 -0.13 0.37 0.00 0.00 175.52 175.66 1iqg s ARG 154 N -3.32 2.02 -0.12 6.66 1.81 -1.26 -0.61 118.95 124.14 1iqg s ARG 154 Ca 0.01 -1.15 -0.30 0.00 -1.72 0.00 0.00 55.73 52.58 1iqg s ARG 154 Cb 0.09 -2.21 -0.01 0.00 -0.45 0.00 0.00 34.95 32.37 1iqg s ARG 154 CO 0.76 0.47 1.05 -1.17 -0.68 0.00 0.00 175.30 175.73 1iqg s LEU 155 N -2.44 4.23 0.35 2.53 2.96 -0.47 -4.65 118.68 121.19 1iqg s LEU 155 Ca 0.22 1.55 0.08 0.00 -0.22 0.00 0.00 54.13 55.77 1iqg s LEU 155 Cb -0.10 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 1iqg s LEU 155 CO 0.14 -0.51 0.11 -0.54 -1.32 0.00 0.00 176.35 174.22 1iqg s LYS 156 N 2.26 2.24 0.03 1.98 1.02 -0.74 -0.66 119.74 125.87 1iqg s LYS 156 Ca 0.49 -1.67 -0.00 0.00 0.02 0.00 0.00 55.97 54.81 1iqg s LYS 156 Cb -0.19 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 1iqg s LYS 156 CO 0.17 0.07 -0.03 0.00 -0.92 0.00 0.00 175.35 174.64 1iqg s MET 157 N -3.81 0.41 -0.07 1.68 0.23 -0.55 -1.68 119.30 115.52 1iqg s MET 157 Ca 0.37 -0.80 -0.03 0.00 -1.03 0.00 0.00 55.69 54.20 1iqg s MET 157 Cb -0.00 0.10 0.04 0.00 -1.53 0.00 0.00 34.83 33.43 1iqg s MET 157 CO 0.22 -0.06 0.16 -1.17 -2.03 0.00 0.00 175.02 172.13 1iqg s LEU 158 N -1.89 0.80 -0.31 0.18 0.20 0.11 -1.38 118.68 116.40 1iqg s LEU 158 Ca -0.09 0.33 -0.27 0.00 0.69 0.00 0.00 54.13 54.79 1iqg s LEU 158 Cb -0.05 0.43 0.01 0.00 -0.43 0.00 0.00 46.19 46.15 1iqg s LEU 158 CO -0.03 -0.13 0.96 -0.70 -0.29 0.00 0.00 176.35 176.15 1iqg s GLU 159 N 1.00 4.02 -0.22 1.98 2.12 -1.26 -1.56 118.70 124.78 1iqg s GLU 159 Ca -0.08 0.88 0.01 0.00 0.36 0.00 0.00 54.97 56.15 1iqg s GLU 159 Cb -0.10 -3.73 0.04 0.00 0.26 0.00 0.00 34.13 30.60 1iqg s GLU 159 CO -0.05 -0.81 -0.14 0.14 -0.54 0.00 0.00 175.26 173.85 1iqg s VAL 160 N 3.37 2.21 0.62 3.70 -7.23 -0.20 -4.95 120.40 117.92 1iqg s VAL 160 Ca 0.40 -1.24 -0.19 0.00 -1.81 0.00 0.00 61.98 59.15 1iqg s VAL 160 Cb -0.13 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 1iqg s VAL 160 CO 0.14 0.26 1.29 -2.16 -0.31 0.00 0.00 175.10 174.32 1iqg s PRO 161 N 1.22 2.70 0.31 4.82 0.04 -1.26 -2.16 135.00 140.67 1iqg s PRO 161 Ca -0.01 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.79 1iqg s PRO 161 Cb -0.16 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 1iqg s PRO 161 CO -0.09 -1.48 1.18 0.71 0.04 0.00 0.00 177.00 177.36 1iqg s TYR 162 N -1.41 3.36 -0.13 0.56 2.02 -0.34 -1.23 117.35 120.17 1iqg s TYR 162 Ca 0.80 1.59 -0.05 0.00 -0.37 0.00 0.00 57.07 59.05 1iqg s TYR 162 Cb -0.37 -3.43 -0.04 0.00 -0.40 0.00 0.00 41.96 37.73 1iqg s TYR 162 CO 0.40 -1.06 0.04 0.08 -1.57 0.00 0.00 175.55 173.44 1iqg s VAL 163 N -1.18 4.64 0.17 0.71 1.01 -0.95 -4.88 120.40 119.93 1iqg s VAL 163 Ca 0.47 -0.11 -0.33 0.00 0.00 0.00 0.00 61.98 62.01 1iqg s VAL 163 Cb -0.35 -3.02 -0.16 0.00 0.00 0.00 0.00 36.38 32.86 1iqg s VAL 163 CO 0.45 0.55 1.20 -0.67 0.00 0.00 0.00 175.10 176.63 1iqg n ASP 164 N 2.71 1.46 -0.06 3.32 2.03 -1.26 -4.58 116.55 120.16 1iqg n ASP 164 Ca -0.18 1.14 0.02 0.00 0.52 0.00 0.00 54.79 56.29 1iqg n ASP 164 Cb 0.53 -1.22 0.34 0.00 -0.72 0.00 0.00 41.12 40.05 1iqg n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1iqg h ARG 165 N 3.55 0.67 -0.06 -0.67 2.43 -1.97 -1.40 114.38 116.94 1iqg h ARG 165 Ca -0.44 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.62 1iqg h ARG 165 Cb 1.34 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1iqg h ARG 165 CO 0.71 0.50 -0.14 -0.91 -1.51 0.00 0.00 179.97 178.62 1iqg h ASN 166 N 0.68 0.22 -0.98 -3.80 2.35 -2.00 -2.47 115.58 109.57 1iqg h ASN 166 Ca 0.17 -0.59 0.17 0.00 -0.55 0.00 0.00 56.30 55.50 1iqg h ASN 166 Cb 0.02 -0.06 -0.10 0.00 0.05 0.00 0.00 38.32 38.23 1iqg h ASN 166 CO -0.03 0.77 0.59 0.28 -1.65 0.00 0.00 177.43 177.40 1iqg h SER 167 N -0.32 0.78 0.00 5.81 0.02 -1.88 -1.39 113.55 116.57 1iqg h SER 167 Ca -0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1iqg h SER 167 Cb 0.75 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1iqg h SER 167 CO 0.03 0.32 0.00 0.00 -1.14 0.00 0.00 176.83 176.04 1iqg h LYS 169 N 0.00 0.50 -0.30 0.00 1.57 -1.01 -1.09 116.57 116.24 1iqg h LYS 169 Ca 0.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1iqg h LYS 169 Cb 0.00 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1iqg h LYS 169 CO 0.00 0.33 0.11 -0.07 -0.57 0.00 0.00 179.45 179.25 1iqg h LEU 170 N 0.52 0.43 -0.45 2.94 3.38 -1.05 -2.97 115.31 118.11 1iqg h LEU 170 Ca 0.66 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1iqg h LEU 170 Cb 1.30 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1iqg h LEU 170 CO -0.51 0.49 0.00 0.77 0.09 0.00 0.00 178.44 179.29 1iqg h SER 171 N 0.33 0.00 -3.36 -0.43 4.64 -0.00 -3.45 113.55 111.28 1iqg h SER 171 Ca 0.10 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.86 1iqg h SER 171 Cb 0.21 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.24 1iqg h SER 171 CO -0.01 0.00 0.06 -0.55 -0.87 0.00 0.00 176.83 175.46 1iqg s SER 172 N -4.78 6.95 0.00 4.97 0.15 -0.62 -4.77 113.70 115.60 1iqg s SER 172 Ca 0.07 1.14 0.30 0.00 0.70 0.00 0.00 55.95 58.16 1iqg s SER 172 Cb 0.10 -2.39 1.77 0.00 -1.71 0.00 0.00 66.02 63.79 1iqg s SER 172 CO 0.52 -0.09 2.14 -1.20 1.20 0.00 0.00 173.24 175.82 1iqg n SER 173 N 3.70 0.00 -4.28 5.45 7.64 -1.26 -4.81 113.62 120.06 1iqg n SER 173 Ca -0.02 -1.07 -0.15 0.00 1.01 0.00 0.00 58.87 58.63 1iqg n SER 173 Cb 0.51 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.61 1iqg n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1iqg s PHE 174 N -2.00 1.37 -0.27 1.43 0.08 -1.26 -5.11 117.98 112.22 1iqg s PHE 174 Ca 0.45 -0.99 -0.29 0.00 0.12 0.00 0.00 56.93 56.21 1iqg s PHE 174 Cb 0.20 -0.79 -0.01 0.00 -0.57 0.00 0.00 43.02 41.86 1iqg s PHE 174 CO 0.34 -0.15 1.46 0.42 -0.10 0.00 0.00 175.22 177.19 1iqg s ILE 175 N -3.57 3.91 -0.65 0.64 1.01 -1.26 -4.96 121.20 116.32 1iqg s ILE 175 Ca 0.27 1.01 -0.24 0.00 0.00 0.00 0.00 60.65 61.69 1iqg s ILE 175 Cb 0.06 -3.95 0.06 0.00 0.01 0.00 0.00 42.46 38.64 1iqg s ILE 175 CO 0.07 -0.41 1.02 -0.63 0.00 0.00 0.00 174.94 174.98 1iqg s ILE 176 N 4.89 4.22 1.01 2.92 -1.09 -1.26 -5.02 121.20 126.87 1iqg s ILE 176 Ca 0.64 -0.05 -0.15 0.00 -2.23 0.00 0.00 60.65 58.86 1iqg s ILE 176 Cb -0.20 -4.69 0.19 0.00 -1.58 0.00 0.00 42.46 36.18 1iqg s ILE 176 CO 0.27 -1.45 1.15 0.42 -1.23 0.00 0.00 174.94 174.10 1iqg s THR 177 N 4.35 1.90 -0.06 2.92 -4.23 -1.26 -4.93 115.64 114.33 1iqg s THR 177 Ca 0.27 0.00 0.29 0.00 -1.18 0.00 0.00 61.69 61.07 1iqg s THR 177 Cb -0.14 -2.69 0.31 0.00 1.34 0.00 0.00 72.50 71.32 1iqg s THR 177 CO 0.13 0.00 1.89 0.06 -0.54 0.00 0.00 174.62 176.16 1iqg h GLN 178 N -1.86 0.00 -0.11 3.99 3.07 -2.03 -2.10 115.11 116.07 1iqg h GLN 178 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.25 1iqg h GLN 178 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 1iqg h GLN 178 CO 0.50 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.51 1iqg n ASN 179 N -2.60 1.57 -4.41 0.06 3.02 -1.26 -4.89 115.26 106.75 1iqg n ASN 179 Ca -0.00 -1.62 -0.22 0.00 -0.03 0.00 0.00 54.58 52.70 1iqg n ASN 179 Cb 0.17 -0.06 -0.10 0.00 -0.61 0.00 0.00 39.78 39.17 1iqg n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1iqg s MET 180 N -1.87 1.71 -0.04 3.52 -1.94 -0.79 0.11 119.30 120.00 1iqg s MET 180 Ca 0.35 -1.97 -0.30 0.00 -1.71 0.00 0.00 55.69 52.05 1iqg s MET 180 Cb 0.19 -0.85 0.07 0.00 2.01 0.00 0.00 34.83 36.25 1iqg s MET 180 CO 0.29 -0.23 0.68 -0.59 -0.01 0.00 0.00 175.02 175.16 1iqg s PHE 181 N -3.27 -0.64 0.26 -0.03 -0.12 -0.49 -4.73 117.98 108.96 1iqg s PHE 181 Ca 0.34 1.04 -0.07 0.00 -0.05 0.00 0.00 56.93 58.19 1iqg s PHE 181 Cb 0.08 0.42 -0.06 0.00 -0.63 0.00 0.00 43.02 42.83 1iqg s PHE 181 CO 0.15 -0.62 0.55 0.00 -0.05 0.00 0.00 175.22 175.24 1iqg s ALA 183 N -1.96 -1.98 0.00 0.00 0.00 -0.49 -2.23 121.76 115.10 1iqg s ALA 183 Ca 0.45 2.26 0.00 0.00 0.00 0.00 0.00 51.96 54.67 1iqg s ALA 183 Cb -0.11 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1iqg s ALA 183 CO 0.26 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1iqg n GLY 184 N 3.71 0.60 3.22 0.00 0.00 -0.37 -1.63 105.19 110.72 1iqg n GLY 184 Ca -0.18 -1.44 -0.17 0.00 0.00 0.00 0.00 46.02 44.23 1iqg n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iqg s TYR 185 N -4.00 1.30 -0.07 1.61 2.02 -1.26 -4.11 117.35 112.84 1iqg s TYR 185 Ca 0.00 -0.58 -0.23 0.00 -0.37 0.00 0.00 57.07 55.90 1iqg s TYR 185 Cb 0.00 -0.69 -0.18 0.00 -0.40 0.00 0.00 41.96 40.69 1iqg s TYR 185 CO 0.00 0.10 0.89 0.22 -1.57 0.00 0.00 175.55 175.19 1iqg h ASP 185 N 3.57 -0.09 0.00 2.29 -0.00 -1.91 -3.42 116.42 116.86 1iqg h ASP 185 Ca -0.39 -0.51 -0.14 0.00 -0.00 0.00 0.00 57.03 55.98 1iqg h ASP 185 Cb 1.19 0.02 -0.02 0.00 -0.00 0.00 0.00 39.33 40.52 1iqg h ASP 185 CO 0.51 0.55 -1.51 0.35 -0.00 0.00 0.00 179.24 179.13 1iqg n THR 185 N -4.83 0.51 -1.54 2.25 -2.24 -1.26 0.44 114.28 107.62 1iqg n THR 185 Ca -0.08 -0.18 -0.51 0.00 -2.27 0.00 0.00 64.05 61.01 1iqg n THR 185 Cb 0.30 -1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 67.44 1iqg n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1iqg n LYS 186 N -2.94 0.73 -1.25 -0.78 4.81 -1.26 -4.74 118.16 112.72 1iqg n LYS 186 Ca -0.17 0.26 -0.36 0.00 -0.87 0.00 0.00 58.31 57.17 1iqg n LYS 186 Cb 0.66 -1.70 -0.02 0.00 0.02 0.00 0.00 35.03 33.99 1iqg n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1iqg n GLN 187 N 1.65 3.08 -3.78 1.64 1.13 -1.26 -4.72 117.38 115.13 1iqg n GLN 187 Ca 0.17 -2.09 -0.13 0.00 -1.94 0.00 0.00 57.00 53.01 1iqg n GLN 187 Cb 0.20 -2.82 -0.14 0.00 0.11 0.00 0.00 30.24 27.60 1iqg n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1iqg s GLU 188 N 2.78 0.13 0.00 -1.09 2.02 -1.26 -4.25 118.70 117.04 1iqg s GLU 188 Ca 0.59 0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.89 1iqg s GLU 188 Cb 0.15 -0.07 0.00 0.00 0.10 0.00 0.00 34.13 34.31 1iqg s GLU 188 CO -0.05 -0.11 0.00 -3.47 0.02 0.00 0.00 175.26 171.65 1iqg n ASP 189 N 3.73 0.00 -3.39 -0.19 2.03 -1.08 -4.25 116.55 113.41 1iqg n ASP 189 Ca -0.21 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 54.86 1iqg n ASP 189 Cb 0.55 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 41.15 1iqg n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iqg n ALA 190 N -0.21 -2.56 -3.12 -1.67 0.00 -1.26 -1.05 120.51 110.63 1iqg n ALA 190 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1iqg n ALA 190 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1iqg n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iqg n GLN 192 N -0.09 1.97 0.00 0.00 7.27 -1.26 -1.94 117.38 123.33 1iqg n GLN 192 Ca -0.01 0.69 0.00 0.00 0.07 0.00 0.00 57.00 57.75 1iqg n GLN 192 Cb 0.09 -2.24 0.00 0.00 2.41 0.00 0.00 30.24 30.50 1iqg n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1iqg n GLY 193 N 0.98 3.08 0.00 1.69 0.00 -1.26 -0.14 105.19 109.54 1iqg n GLY 193 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.23 1iqg n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iqg n ASP 194 N 0.16 0.01 -4.59 1.61 10.43 -0.82 -3.66 116.55 119.70 1iqg n ASP 194 Ca 0.00 0.13 -0.42 0.00 2.57 0.00 0.00 54.79 57.07 1iqg n ASP 194 Cb 0.00 -0.37 0.01 0.00 1.84 0.00 0.00 41.12 42.60 1iqg n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1iqg n SER 195 N -1.37 1.05 0.00 -2.24 7.64 -1.26 -1.42 113.62 116.01 1iqg n SER 195 Ca 0.11 1.05 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1iqg n SER 195 Cb 0.29 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 1iqg n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iqg n GLY 196 N 1.25 2.40 3.49 0.23 0.00 0.18 0.23 105.19 112.97 1iqg n GLY 196 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1iqg n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iqg s GLY 197 N -2.00 1.53 0.25 -0.02 0.00 -0.51 -2.51 107.32 104.06 1iqg s GLY 197 Ca 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 44.72 43.63 1iqg s GLY 197 CO 0.00 -0.02 0.60 2.56 0.00 0.00 0.00 173.10 176.24 1iqg s PRO 198 N -5.36 3.86 -0.16 2.90 0.04 -1.26 -2.41 135.00 132.60 1iqg s PRO 198 Ca 0.71 0.38 -0.01 0.00 0.04 0.00 0.00 61.00 62.12 1iqg s PRO 198 Cb -0.10 -2.60 0.04 0.00 0.04 0.00 0.00 34.50 31.89 1iqg s PRO 198 CO 0.56 0.28 -0.04 -1.58 0.04 0.00 0.00 177.00 176.26 1iqg s HIS 199 N -1.85 1.63 0.16 0.56 2.46 -0.20 -2.77 115.29 115.27 1iqg s HIS 199 Ca 0.49 -1.04 0.09 0.00 0.47 0.00 0.00 55.06 55.08 1iqg s HIS 199 Cb -0.11 -1.28 -0.04 0.00 -0.13 0.00 0.00 32.58 31.02 1iqg s HIS 199 CO 0.20 -0.60 -0.21 0.14 -2.47 0.00 0.00 174.74 171.79 1iqg s VAL 200 N 1.66 1.98 -0.06 0.89 -7.23 0.14 -0.75 120.40 117.04 1iqg s VAL 200 Ca 0.01 -1.86 0.05 0.00 -1.81 0.00 0.00 61.98 58.37 1iqg s VAL 200 Cb -0.15 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.90 1iqg s VAL 200 CO -0.08 -0.17 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.44 1iqg s THR 201 N -1.67 2.39 -0.04 5.32 2.01 -0.23 0.13 115.64 123.56 1iqg s THR 201 Ca 0.15 -0.95 -0.14 0.00 0.31 0.00 0.00 61.69 61.05 1iqg s THR 201 Cb -0.08 -1.90 -0.05 0.00 0.01 0.00 0.00 72.50 70.49 1iqg s THR 201 CO 0.07 0.57 0.38 -0.60 -0.69 0.00 0.00 174.62 174.35 1iqg s ARG 202 N -0.30 3.98 -0.24 4.92 3.52 -1.26 -0.98 118.95 128.60 1iqg s ARG 202 Ca 0.01 0.34 -0.03 0.00 -0.13 0.00 0.00 55.73 55.92 1iqg s ARG 202 Cb -0.13 -3.27 0.12 0.00 -1.56 0.00 0.00 34.95 30.11 1iqg s ARG 202 CO 0.02 0.57 0.29 0.12 -0.81 0.00 0.00 175.30 175.50 1iqg s PHE 203 N -0.67 -0.49 -1.35 5.12 5.36 -0.03 -4.90 117.98 121.02 1iqg s PHE 203 Ca 0.22 0.32 -0.04 0.00 -0.96 0.00 0.00 56.93 56.48 1iqg s PHE 203 Cb -0.16 -0.27 0.02 0.00 -0.34 0.00 0.00 43.02 42.28 1iqg s PHE 203 CO 0.11 -0.71 0.83 1.63 -1.46 0.00 0.00 175.22 175.61 1iqg n LYS 204 N 5.33 -5.45 -1.66 10.12 5.02 -1.26 -2.45 118.16 127.82 1iqg n LYS 204 Ca -0.04 0.66 -0.14 0.00 -2.02 0.00 0.00 58.31 56.77 1iqg n LYS 204 Cb 0.49 -5.37 -0.04 0.00 -0.02 0.00 0.00 35.03 30.09 1iqg n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1iqg n ASP 205 N -3.02 -4.56 -4.00 4.39 8.00 -1.26 -5.01 116.55 111.09 1iqg n ASP 205 Ca -0.21 0.24 -0.23 0.00 0.71 0.00 0.00 54.79 55.30 1iqg n ASP 205 Cb 0.64 -3.42 -0.16 0.00 -0.02 0.00 0.00 41.12 38.15 1iqg n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1iqg s THR 206 N -2.57 0.97 -0.14 -3.53 2.01 -1.02 -5.14 115.64 106.22 1iqg s THR 206 Ca 0.00 -0.41 -0.10 0.00 0.31 0.00 0.00 61.69 61.50 1iqg s THR 206 Cb 0.00 -0.89 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 1iqg s THR 206 CO 0.00 0.31 0.18 -0.31 -0.69 0.00 0.00 174.62 174.11 1iqg s TYR 207 N 0.56 3.53 0.02 4.92 1.51 -1.26 -0.85 117.35 125.78 1iqg s TYR 207 Ca -0.11 0.51 0.08 0.00 -1.01 0.00 0.00 57.07 56.55 1iqg s TYR 207 Cb -0.14 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 1iqg s TYR 207 CO 0.02 0.51 -0.25 -0.06 -1.11 0.00 0.00 175.55 174.67 1iqg s PHE 208 N -0.36 2.38 0.33 2.71 0.08 -0.15 -2.68 117.98 120.29 1iqg s PHE 208 Ca 0.14 -0.38 -0.28 0.00 0.12 0.00 0.00 56.93 56.52 1iqg s PHE 208 Cb -0.12 -1.44 -0.10 0.00 -0.57 0.00 0.00 43.02 40.79 1iqg s PHE 208 CO 0.03 0.11 1.25 0.08 -0.10 0.00 0.00 175.22 176.58 1iqg s VAL 209 N -0.77 2.92 0.00 -0.44 1.01 0.24 -1.06 120.40 122.30 1iqg s VAL 209 Ca 0.12 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1iqg s VAL 209 Cb -0.10 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1iqg s VAL 209 CO 0.02 0.20 0.00 0.35 0.00 0.00 0.00 175.10 175.66 1iqg n THR 210 N 0.75 0.00 -3.72 3.92 -2.24 0.07 -4.59 114.28 108.48 1iqg n THR 210 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.65 1iqg n THR 210 Cb 0.43 -0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.44 1iqg n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iqg s GLY 211 N -1.65 -0.21 -0.20 3.38 0.00 -0.92 -1.63 107.32 106.09 1iqg s GLY 211 Ca 0.00 0.39 -0.07 0.00 0.00 0.00 0.00 44.72 45.04 1iqg s GLY 211 CO 0.00 0.16 0.06 -0.42 0.00 0.00 0.00 173.10 172.90 1iqg s ILE 212 N -1.65 4.60 -0.27 0.90 1.01 -0.98 -1.03 121.20 123.78 1iqg s ILE 212 Ca -0.11 -0.09 -0.33 0.00 0.00 0.00 0.00 60.65 60.12 1iqg s ILE 212 Cb -0.03 -3.10 -0.09 0.00 0.01 0.00 0.00 42.46 39.25 1iqg s ILE 212 CO 0.03 0.42 2.17 0.52 0.00 0.00 0.00 174.94 178.08 1iqg n VAL 213 N 4.01 0.28 0.00 2.92 0.31 -1.01 -0.57 118.33 124.27 1iqg n VAL 213 Ca -0.16 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 1iqg n VAL 213 Cb 0.52 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 1iqg n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1iqg n SER 214 N 10.19 0.00 -1.94 4.52 2.88 -0.92 -0.65 113.62 127.70 1iqg n SER 214 Ca 0.35 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.83 1iqg n SER 214 Cb 0.31 -0.11 -0.01 0.00 -0.75 0.00 0.00 64.21 63.65 1iqg n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1iqg n TRP 215 N -1.71 -1.11 -3.64 0.66 4.27 -0.19 -4.87 117.44 110.84 1iqg n TRP 215 Ca 0.00 -1.07 0.01 0.00 -3.89 0.00 0.00 57.50 52.54 1iqg n TRP 215 Cb 0.00 0.31 -0.01 0.00 -1.36 0.00 0.00 31.31 30.26 1iqg n TRP 215 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 1iqg s GLY 216 N -2.03 -0.39 -0.78 -1.67 0.00 -1.26 -0.39 107.32 100.79 1iqg s GLY 216 Ca 0.12 0.62 -0.09 0.00 0.00 0.00 0.00 44.72 45.37 1iqg s GLY 216 CO 0.09 0.11 0.68 -0.54 0.00 0.00 0.00 173.10 173.44 1iqg s GLU 217 N -2.54 3.28 1.57 2.90 2.02 -1.26 -4.94 118.70 119.73 1iqg s GLU 217 Ca 0.14 -2.58 0.00 0.00 0.02 0.00 0.00 54.97 52.55 1iqg s GLU 217 Cb 0.04 -4.18 0.00 0.00 0.10 0.00 0.00 34.13 30.09 1iqg s GLU 217 CO -0.03 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.41 1iqg n GLY 218 N 3.64 -1.31 2.78 -1.39 0.00 -1.26 -4.66 105.19 103.00 1iqg n GLY 218 Ca 0.13 -1.47 -0.22 0.00 0.00 0.00 0.00 46.02 44.45 1iqg n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqg n ALA 221 N 4.99 -0.39 -1.54 0.00 0.00 -1.26 -4.68 120.51 117.64 1iqg n ALA 221 Ca -0.10 0.22 -0.35 0.00 0.00 0.00 0.00 53.44 53.21 1iqg n ALA 221 Cb 0.50 -1.72 0.08 0.00 0.00 0.00 0.00 19.45 18.31 1iqg n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1iqg s ARG 222 N -3.90 2.39 0.13 0.00 0.52 -1.26 -4.68 118.95 112.15 1iqg s ARG 222 Ca 0.00 1.87 -0.31 0.00 -0.52 0.00 0.00 55.73 56.77 1iqg s ARG 222 Cb 0.00 -1.85 -0.08 0.00 0.52 0.00 0.00 34.95 33.54 1iqg s ARG 222 CO 0.00 -1.67 1.39 0.21 0.02 0.00 0.00 175.30 175.26 1iqg s LYS 223 N -3.65 4.32 0.00 3.54 2.20 -1.26 -2.65 119.74 122.25 1iqg s LYS 223 Ca 0.78 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 58.48 1iqg s LYS 223 Cb -0.32 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1iqg s LYS 223 CO 0.42 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 1iqg n GLY 223 N 3.41 0.76 3.33 5.54 0.00 0.17 -5.00 105.19 113.40 1iqg n GLY 223 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1iqg n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqg s LYS 224 N -0.19 1.24 0.44 1.61 3.01 -1.08 -4.74 119.74 120.03 1iqg s LYS 224 Ca 0.00 -1.25 0.06 0.00 -1.01 0.00 0.00 55.97 53.76 1iqg s LYS 224 Cb 0.00 -1.58 -0.05 0.00 -1.01 0.00 0.00 37.83 35.18 1iqg s LYS 224 CO 0.00 0.37 0.07 0.71 0.51 0.00 0.00 175.35 177.00 1iqg s TYR 225 N -1.19 2.33 -0.09 3.18 2.02 -1.26 -4.56 117.35 117.79 1iqg s TYR 225 Ca 0.10 -0.73 -0.22 0.00 -0.37 0.00 0.00 57.07 55.85 1iqg s TYR 225 Cb -0.10 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 1iqg s TYR 225 CO 0.05 0.29 0.64 0.20 -1.57 0.00 0.00 175.55 175.16 1iqg s GLY 226 N -3.82 2.53 -0.37 0.71 0.00 -0.64 -4.61 107.32 101.11 1iqg s GLY 226 Ca 0.29 0.03 -0.13 0.00 0.00 0.00 0.00 44.72 44.91 1iqg s GLY 226 CO 0.15 1.08 0.26 -0.42 0.00 0.00 0.00 173.10 174.17 1iqg s ILE 227 N 0.82 5.13 0.16 0.90 -1.09 0.48 -1.40 121.20 126.20 1iqg s ILE 227 Ca 0.34 -0.51 0.07 0.00 -2.23 0.00 0.00 60.65 58.32 1iqg s ILE 227 Cb -0.17 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1iqg s ILE 227 CO 0.16 -0.16 0.01 -0.31 -1.23 0.00 0.00 174.94 173.40 1iqg s TYR 228 N 1.67 2.90 0.18 3.97 1.51 -0.51 -1.03 117.35 126.05 1iqg s TYR 228 Ca 0.05 -0.11 -0.30 0.00 -1.01 0.00 0.00 57.07 55.71 1iqg s TYR 228 Cb -0.18 -1.42 -0.08 0.00 -0.11 0.00 0.00 41.96 40.17 1iqg s TYR 228 CO 0.09 0.51 1.08 0.99 -1.11 0.00 0.00 175.55 177.12 1iqg s THR 229 N -1.65 3.91 -0.75 -0.71 2.01 0.26 -1.39 115.64 117.31 1iqg s THR 229 Ca 0.27 1.66 -0.25 0.00 0.31 0.00 0.00 61.69 63.68 1iqg s THR 229 Cb -0.10 -4.06 0.05 0.00 0.01 0.00 0.00 72.50 68.40 1iqg s THR 229 CO 0.19 0.29 1.21 -0.75 -0.69 0.00 0.00 174.62 174.87 1iqg s LYS 230 N -0.41 3.22 0.21 4.92 2.20 0.12 -2.32 119.74 127.67 1iqg s LYS 230 Ca 0.49 -0.52 -0.09 0.00 -0.36 0.00 0.00 55.97 55.48 1iqg s LYS 230 Cb -0.29 -4.32 0.26 0.00 -1.51 0.00 0.00 37.83 31.96 1iqg s LYS 230 CO 0.35 -2.06 1.79 0.28 -0.36 0.00 0.00 175.35 175.35 1iqg h VAL 231 N 6.08 0.91 -0.14 4.02 2.07 -1.62 -1.46 116.25 126.10 1iqg h VAL 231 Ca -0.23 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.13 1iqg h VAL 231 Cb 1.05 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1iqg h VAL 231 CO 1.26 0.11 0.29 0.71 0.02 0.00 0.00 177.57 179.97 1iqg h THR 232 N 0.61 0.20 -0.04 2.57 1.35 -1.91 0.33 112.91 116.02 1iqg h THR 232 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.16 1iqg h THR 232 Cb 0.25 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 1iqg h THR 232 CO -0.21 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.06 1iqg n ALA 233 N -2.12 2.60 -0.86 6.62 0.00 -0.55 -3.67 120.51 122.53 1iqg n ALA 233 Ca 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1iqg n ALA 233 Cb 0.39 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1iqg n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1iqg n PHE 234 N -0.31 0.00 -0.04 0.00 3.72 0.11 -4.93 117.46 116.00 1iqg n PHE 234 Ca 0.19 -0.07 -0.03 0.00 -0.05 0.00 0.00 57.45 57.49 1iqg n PHE 234 Cb 0.22 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.73 1iqg n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1iqg h LEU 235 N 0.00 -0.44 -1.07 4.37 4.07 -1.42 0.50 115.31 121.33 1iqg h LEU 235 Ca 0.00 0.06 0.24 0.00 0.08 0.00 0.00 57.88 58.25 1iqg h LEU 235 Cb 0.90 0.18 -0.12 0.00 1.08 0.00 0.00 40.66 42.70 1iqg h LEU 235 CO 0.00 -0.08 0.61 0.11 -1.08 0.00 0.00 178.44 178.00 1iqg h LYS 236 N -0.07 0.57 -0.84 1.13 1.57 -1.90 0.42 116.57 117.44 1iqg h LYS 236 Ca 0.02 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1iqg h LYS 236 Cb 0.13 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1iqg h LYS 236 CO -0.15 0.38 0.51 2.35 -0.57 0.00 0.00 179.45 181.97 1iqg h TRP 237 N 0.59 1.09 -0.46 -1.35 7.01 -1.56 -0.90 115.95 120.36 1iqg h TRP 237 Ca 0.62 0.00 -0.12 0.00 2.11 0.00 0.00 58.89 61.50 1iqg h TRP 237 Cb 1.20 -0.36 -0.01 0.00 -2.10 0.00 0.00 29.16 27.88 1iqg h TRP 237 CO -0.01 0.72 -0.19 0.82 -2.79 0.00 0.00 178.44 176.99 1iqg h ILE 238 N 1.15 1.27 0.07 2.65 2.04 0.19 -1.99 117.51 122.89 1iqg h ILE 238 Ca 0.30 -1.35 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 1iqg h ILE 238 Cb -0.06 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1iqg h ILE 238 CO -0.06 0.46 -0.03 0.44 0.00 0.00 0.00 178.15 178.96 1iqg h ASP 239 N 0.80 -0.08 -0.96 1.72 5.19 -0.63 -1.46 116.42 120.99 1iqg h ASP 239 Ca 0.11 -0.01 0.21 0.00 -0.62 0.00 0.00 57.03 56.71 1iqg h ASP 239 Cb 0.77 0.02 -0.08 0.00 0.18 0.00 0.00 39.33 40.21 1iqg h ASP 239 CO 0.06 -0.04 0.62 -0.09 -3.12 0.00 0.00 179.24 176.67 1iqg h ARG 240 N -0.11 0.51 -0.02 3.56 2.43 -1.06 0.25 114.38 119.94 1iqg h ARG 240 Ca -0.01 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.00 1iqg h ARG 240 Cb 0.09 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1iqg h ARG 240 CO 0.01 0.34 -0.58 0.77 -1.51 0.00 0.00 179.97 179.00 1iqg h SER 241 N 0.53 0.08 0.18 -3.80 0.02 -0.56 -2.72 113.55 107.28 1iqg h SER 241 Ca 0.53 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1iqg h SER 241 Cb 1.13 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1iqg h SER 241 CO -0.26 0.64 0.00 0.23 -1.14 0.00 0.00 176.83 176.30 1iqg n MET 242 N -3.86 0.15 -0.37 3.45 2.81 0.87 0.19 117.12 120.35 1iqg n MET 242 Ca -0.02 0.59 0.08 0.00 -1.81 0.00 0.00 57.70 56.54 1iqg n MET 242 Cb 0.59 -1.94 0.25 0.00 -0.71 0.00 0.00 33.22 31.41 1iqg n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1iqg n LYS 243 N -2.25 3.12 -3.00 0.03 4.76 -1.03 -5.00 118.16 114.79 1iqg n LYS 243 Ca -0.01 -2.51 -0.11 0.00 -2.87 0.00 0.00 58.31 52.80 1iqg n LYS 243 Cb 0.08 -1.60 0.01 0.00 -1.84 0.00 0.00 35.03 31.68 1iqg n LYS 243 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1iqg n THR 244 N 0.52 -8.74 -1.56 -0.18 -1.04 0.49 -5.10 114.28 98.67 1iqg n THR 244 Ca 0.19 0.93 0.00 0.00 -2.04 0.00 0.00 64.05 63.13 1iqg n THR 244 Cb 0.68 -5.90 0.00 0.00 -1.82 0.00 0.00 70.33 63.29 1iqg n THR 244 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29