#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqf s VAL 17 N 0.00 2.77 0.00 1.39 1.01 -0.62 -4.57 120.40 120.37 1iqf s VAL 17 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1iqf s VAL 17 Cb 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1iqf s VAL 17 CO 0.00 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.71 1iqf n GLY 18 N 4.37 0.37 3.93 4.51 0.00 -1.26 -2.75 105.19 114.36 1iqf n GLY 18 Ca 0.19 -0.88 0.01 0.00 0.00 0.00 0.00 46.02 45.33 1iqf n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqf n GLY 19 N 0.00 -2.13 3.72 -0.02 0.00 -1.26 -4.89 105.19 100.62 1iqf n GLY 19 Ca 0.00 -1.45 -0.27 0.00 0.00 0.00 0.00 46.02 44.30 1iqf n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1iqf s GLN 20 N -0.48 2.15 -0.19 1.61 -1.52 0.28 -4.92 119.66 116.59 1iqf s GLN 20 Ca 0.00 -2.02 -0.21 0.00 -1.95 0.00 0.00 55.36 51.19 1iqf s GLN 20 Cb 0.00 -1.83 -0.03 0.00 -0.22 0.00 0.00 33.01 30.93 1iqf s GLN 20 CO 0.00 -0.18 0.62 -2.00 -0.25 0.00 0.00 175.29 173.48 1iqf s GLU 21 N -3.88 4.22 -0.69 2.91 2.12 -1.26 0.28 118.70 122.40 1iqf s GLU 21 Ca 0.33 0.61 -0.25 0.00 0.36 0.00 0.00 54.97 56.02 1iqf s GLU 21 Cb 0.05 -3.57 -0.12 0.00 0.26 0.00 0.00 34.13 30.74 1iqf s GLU 21 CO 0.18 -0.21 2.42 0.00 -0.54 0.00 0.00 175.26 177.11 1iqf s LYS 23 N 8.63 0.23 -0.21 0.00 -0.14 -1.26 -4.79 119.74 122.20 1iqf s LYS 23 Ca 0.98 1.19 -0.40 0.00 -1.36 0.00 0.00 55.97 56.38 1iqf s LYS 23 Cb -0.21 -1.66 -0.16 0.00 -1.68 0.00 0.00 37.83 34.12 1iqf s LYS 23 CO 0.18 -3.05 1.62 -3.47 -0.76 0.00 0.00 175.35 169.86 1iqf n ASP 24 N -4.49 2.05 -1.61 2.83 4.64 -1.26 -1.13 116.55 117.57 1iqf n ASP 24 Ca 0.08 1.10 -0.16 0.00 -1.38 0.00 0.00 54.79 54.42 1iqf n ASP 24 Cb 0.53 -1.12 -0.03 0.00 -1.04 0.00 0.00 41.12 39.46 1iqf n ASP 24 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1iqf n GLY 25 N 3.72 0.36 0.08 0.27 0.00 -1.26 -4.89 105.19 103.46 1iqf n GLY 25 Ca 0.25 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1iqf n GLY 25 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1iqf n GLU 26 N -2.53 0.82 -2.48 1.61 2.13 -0.29 -4.61 120.64 115.30 1iqf n GLU 26 Ca -0.18 -0.05 -0.17 0.00 0.66 0.00 0.00 57.16 57.42 1iqf n GLU 26 Cb 0.60 -1.49 0.02 0.00 0.27 0.00 0.00 31.44 30.84 1iqf n GLU 26 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iqf n PRO 28 N -0.45 0.04 0.00 0.00 -0.04 -1.26 -0.68 135.00 132.61 1iqf n PRO 28 Ca 0.27 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 64.25 1iqf n PRO 28 Cb 0.80 -2.00 -0.05 0.00 -0.04 0.00 0.00 33.50 32.21 1iqf n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1iqf n TRP 29 N -1.67 0.00 -1.55 0.54 2.14 -1.24 -1.00 117.44 114.65 1iqf n TRP 29 Ca -0.00 0.00 -0.35 0.00 2.07 0.00 0.00 57.50 59.22 1iqf n TRP 29 Cb 0.37 -0.02 -0.03 0.00 -0.81 0.00 0.00 31.31 30.82 1iqf n TRP 29 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 1iqf n GLN 30 N -1.08 1.01 -3.59 -2.67 -0.06 0.15 -1.99 117.38 109.14 1iqf n GLN 30 Ca 0.06 -0.05 -0.27 0.00 -2.00 0.00 0.00 57.00 54.74 1iqf n GLN 30 Cb 0.37 -3.46 -0.03 0.00 -4.06 0.00 0.00 30.24 23.06 1iqf n GLN 30 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1iqf s ALA 31 N 12.42 3.77 -0.09 1.69 0.00 -0.85 -4.50 121.76 134.20 1iqf s ALA 31 Ca 0.98 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 52.12 1iqf s ALA 31 Cb -0.17 -2.06 0.03 0.00 0.00 0.00 0.00 23.12 20.91 1iqf s ALA 31 CO 0.25 0.32 -0.02 -1.17 0.00 0.00 0.00 175.76 175.14 1iqf s LEU 32 N -3.55 0.82 -0.21 0.00 2.96 0.73 -1.61 118.68 117.81 1iqf s LEU 32 Ca 0.40 -0.20 -0.26 0.00 -0.22 0.00 0.00 54.13 53.84 1iqf s LEU 32 Cb -0.11 -0.58 -0.00 0.00 0.50 0.00 0.00 46.19 46.01 1iqf s LEU 32 CO 0.30 -0.18 0.90 -0.76 -1.32 0.00 0.00 176.35 175.29 1iqf s LEU 33 N 1.88 4.12 0.24 -0.68 1.43 -0.48 -0.06 118.68 125.14 1iqf s LEU 33 Ca 0.05 1.20 0.10 0.00 -1.03 0.00 0.00 54.13 54.45 1iqf s LEU 33 Cb -0.13 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1iqf s LEU 33 CO -0.06 -0.53 -0.10 0.27 0.23 0.00 0.00 176.35 176.17 1iqf s ILE 34 N 2.72 3.05 0.51 -0.59 -4.36 0.50 -1.87 121.20 121.15 1iqf s ILE 34 Ca 0.39 -1.98 0.05 0.00 -0.26 0.00 0.00 60.65 58.85 1iqf s ILE 34 Cb -0.16 -2.58 0.01 0.00 1.25 0.00 0.00 42.46 40.98 1iqf s ILE 34 CO 0.09 -0.29 0.30 0.54 0.24 0.00 0.00 174.94 175.81 1iqf s ASN 35 N -3.34 4.54 0.63 4.36 4.22 -0.40 -0.38 114.94 124.56 1iqf s ASN 35 Ca 0.29 -1.26 0.24 0.00 -2.14 0.00 0.00 52.86 49.99 1iqf s ASN 35 Cb -0.07 0.22 1.17 0.00 1.28 0.00 0.00 41.25 43.86 1iqf s ASN 35 CO 0.17 -0.94 1.65 1.05 -2.04 0.00 0.00 177.10 176.99 1iqf h GLU 36 N 0.99 0.00 -0.65 3.55 9.09 -1.90 2.41 114.58 128.06 1iqf h GLU 36 Ca -0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.02 1iqf h GLU 36 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 1iqf h GLU 36 CO 0.62 0.00 0.00 0.39 0.05 0.00 0.00 179.01 180.07 1iqf n GLU 37 N -3.14 3.51 -0.75 1.06 1.02 -1.26 -4.88 120.64 116.19 1iqf n GLU 37 Ca 0.06 -2.28 -0.02 0.00 -0.02 0.00 0.00 57.16 54.90 1iqf n GLU 37 Cb 0.78 -1.91 -0.01 0.00 -0.02 0.00 0.00 31.44 30.28 1iqf n GLU 37 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1iqf n ASN 38 N 0.65 -3.77 -4.76 1.62 3.02 0.81 -4.90 115.26 107.93 1iqf n ASN 38 Ca 0.20 0.05 -0.40 0.00 -0.03 0.00 0.00 54.58 54.41 1iqf n ASN 38 Cb 0.83 -2.54 -0.06 0.00 -0.61 0.00 0.00 39.78 37.41 1iqf n ASN 38 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1iqf s GLU 39 N -1.55 4.57 -0.60 3.52 2.02 -1.25 -4.72 118.70 120.69 1iqf s GLU 39 Ca 0.00 1.17 -0.22 0.00 0.02 0.00 0.00 54.97 55.94 1iqf s GLU 39 Cb 0.00 -3.30 0.07 0.00 0.10 0.00 0.00 34.13 30.99 1iqf s GLU 39 CO 0.00 0.45 0.86 0.20 0.02 0.00 0.00 175.26 176.79 1iqf s GLY 40 N -0.71 1.51 -0.14 -1.39 0.00 -1.26 -1.27 107.32 104.06 1iqf s GLY 40 Ca 0.38 -1.77 -0.18 0.00 0.00 0.00 0.00 44.72 43.15 1iqf s GLY 40 CO 0.26 1.89 0.47 0.27 0.00 0.00 0.00 173.10 175.99 1iqf h PHE 41 N 9.36 0.27 -0.78 1.90 -5.15 -1.70 -3.49 116.94 117.36 1iqf h PHE 41 Ca -0.28 -0.20 -0.66 0.00 -0.20 0.00 0.00 57.97 56.63 1iqf h PHE 41 Cb 1.08 -0.01 -0.13 0.00 0.22 0.00 0.00 35.95 37.11 1iqf h PHE 41 CO 0.90 1.49 -0.50 0.00 -2.00 0.00 0.00 178.31 178.20 1iqf n GLY 43 N -1.22 4.43 3.92 0.00 0.00 0.15 -1.38 105.19 111.09 1iqf n GLY 43 Ca -0.17 -2.14 -0.01 0.00 0.00 0.00 0.00 46.02 43.70 1iqf n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqf n GLY 44 N 4.47 0.44 2.98 -0.02 0.00 -0.64 -4.17 105.19 108.26 1iqf n GLY 44 Ca 0.00 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.75 1iqf n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iqf s THR 45 N -2.04 0.45 -0.08 2.61 2.01 -0.20 -2.01 115.64 116.39 1iqf s THR 45 Ca 0.26 -0.39 -0.23 0.00 0.31 0.00 0.00 61.69 61.63 1iqf s THR 45 Cb -0.02 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 72.04 1iqf s THR 45 CO 0.03 0.03 0.69 -0.63 -0.69 0.00 0.00 174.62 174.05 1iqf s ILE 46 N -0.36 5.05 -0.07 1.82 1.01 -0.84 0.22 121.20 128.02 1iqf s ILE 46 Ca -0.00 1.41 0.08 0.00 0.00 0.00 0.00 60.65 62.14 1iqf s ILE 46 Cb -0.04 -4.03 -0.11 0.00 0.01 0.00 0.00 42.46 38.30 1iqf s ILE 46 CO -0.00 0.25 0.06 0.18 0.00 0.00 0.00 174.94 175.42 1iqf n LEU 47 N 3.84 0.00 -3.75 2.97 4.77 -0.33 -1.33 117.00 123.17 1iqf n LEU 47 Ca -0.01 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.89 1iqf n LEU 47 Cb 0.51 0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.76 1iqf n LEU 47 CO 0.47 0.18 0.47 -0.94 -1.33 0.00 0.00 177.39 176.23 1iqf s SER 48 N -3.88 -0.33 0.63 -1.43 1.04 -1.13 -4.67 113.70 103.94 1iqf s SER 48 Ca -0.04 -0.46 0.28 0.00 0.48 0.00 0.00 55.95 56.21 1iqf s SER 48 Cb 0.03 0.69 1.48 0.00 0.10 0.00 0.00 66.02 68.32 1iqf s SER 48 CO 0.35 -1.24 1.86 1.05 0.98 0.00 0.00 173.24 176.25 1iqf h GLU 49 N 2.00 0.00 0.00 4.02 4.11 -1.98 -2.48 114.58 120.24 1iqf h GLU 49 Ca -0.23 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.14 1iqf h GLU 49 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1iqf h GLU 49 CO 0.27 0.00 -1.52 1.19 0.07 0.00 0.00 179.01 179.01 1iqf n PHE 50 N -3.22 0.00 -4.60 2.06 3.72 -1.26 0.19 117.46 114.35 1iqf n PHE 50 Ca 0.03 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.10 1iqf n PHE 50 Cb 0.54 -0.31 -0.11 0.00 -0.94 0.00 0.00 39.48 38.65 1iqf n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1iqf s TYR 51 N -2.53 2.79 -0.05 1.38 2.02 -0.94 0.99 117.35 121.02 1iqf s TYR 51 Ca -0.04 -0.10 0.05 0.00 -0.37 0.00 0.00 57.07 56.61 1iqf s TYR 51 Cb 0.05 -1.60 -0.01 0.00 -0.40 0.00 0.00 41.96 40.01 1iqf s TYR 51 CO 0.41 0.31 -0.20 0.42 -1.57 0.00 0.00 175.55 174.91 1iqf s ILE 52 N -0.91 1.67 -0.21 2.71 -1.09 -0.34 -1.19 121.20 121.84 1iqf s ILE 52 Ca 0.15 -0.85 -0.12 0.00 -2.23 0.00 0.00 60.65 57.59 1iqf s ILE 52 Cb -0.11 -1.42 -0.05 0.00 -1.58 0.00 0.00 42.46 39.30 1iqf s ILE 52 CO 0.05 0.47 0.23 -0.22 -1.23 0.00 0.00 174.94 174.24 1iqf s LEU 53 N -0.06 4.16 0.04 2.97 2.96 0.13 -1.92 118.68 126.96 1iqf s LEU 53 Ca -0.03 0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 54.12 1iqf s LEU 53 Cb -0.12 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 1iqf s LEU 53 CO 0.03 0.06 0.06 0.28 -1.32 0.00 0.00 176.35 175.46 1iqf s THR 54 N 0.91 0.14 -0.01 3.68 -1.32 -0.88 -1.04 115.64 117.12 1iqf s THR 54 Ca 0.12 -1.17 -0.30 0.00 -1.21 0.00 0.00 61.69 59.13 1iqf s THR 54 Cb -0.13 -0.90 -0.07 0.00 -1.51 0.00 0.00 72.50 69.88 1iqf s THR 54 CO 0.04 -0.64 1.77 0.00 -2.21 0.00 0.00 174.62 173.57 1iqf s ALA 55 N -2.65 3.62 0.23 11.08 0.00 -1.26 -0.87 121.76 131.91 1iqf s ALA 55 Ca -0.05 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 1iqf s ALA 55 Cb -0.01 -3.78 0.30 0.00 0.00 0.00 0.00 23.12 19.63 1iqf s ALA 55 CO -0.05 -1.42 1.59 0.00 0.00 0.00 0.00 175.76 175.88 1iqf h ALA 56 N 9.75 0.39 -0.58 0.00 0.00 -1.69 -0.71 119.26 126.43 1iqf h ALA 56 Ca -0.43 0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.86 1iqf h ALA 56 Cb 1.20 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 19.65 1iqf h ALA 56 CO 0.95 -0.48 0.39 1.12 0.00 0.00 0.00 179.25 181.23 1iqf h HIS 57 N -0.03 0.38 -1.50 0.00 2.07 -1.90 -2.48 115.15 111.68 1iqf h HIS 57 Ca 0.36 0.01 0.45 0.00 -2.85 0.00 0.00 60.37 58.34 1iqf h HIS 57 Cb 0.59 -0.12 -0.09 0.00 2.57 0.00 0.00 27.41 30.36 1iqf h HIS 57 CO -0.67 0.18 1.05 0.00 -3.07 0.00 0.00 177.93 175.41 1iqf n LEU 59 N -4.29 2.99 0.00 0.00 4.77 -0.94 -2.61 117.00 116.92 1iqf n LEU 59 Ca 0.36 -1.40 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 1iqf n LEU 59 Cb 1.56 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 1iqf n LEU 59 CO 0.34 0.54 -0.18 -1.22 -1.33 0.00 0.00 177.39 175.54 1iqf n TYR 60 N 1.12 0.00 0.90 -1.77 4.01 -0.36 -4.79 117.16 116.27 1iqf n TYR 60 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1iqf n TYR 60 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 1iqf n TYR 60 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1iqf n GLN 61 N -1.27 0.90 -3.86 -0.72 3.00 -1.07 -4.78 117.38 109.58 1iqf n GLN 61 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1iqf n GLN 61 Cb 0.18 -1.18 0.01 0.00 0.00 0.00 0.00 30.24 29.26 1iqf n GLN 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1iqf s ALA 61 N -0.24 -0.55 -0.02 -1.58 0.00 -1.26 -4.96 121.76 113.14 1iqf s ALA 61 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.10 1iqf s ALA 61 Cb 0.00 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 1iqf s ALA 61 CO 0.00 -0.96 -0.06 1.17 0.00 0.00 0.00 175.76 175.91 1iqf n LYS 62 N -0.53 0.09 -4.07 0.00 4.81 -1.26 -5.03 118.16 112.16 1iqf n LYS 62 Ca -0.07 0.04 -0.17 0.00 -0.87 0.00 0.00 58.31 57.24 1iqf n LYS 62 Cb 0.60 -0.65 -0.16 0.00 0.02 0.00 0.00 35.03 34.84 1iqf n LYS 62 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1iqf s ARG 63 N -2.10 0.49 0.05 1.64 3.52 -1.26 -5.12 118.95 116.17 1iqf s ARG 63 Ca -0.06 -0.06 0.03 0.00 -0.13 0.00 0.00 55.73 55.51 1iqf s ARG 63 Cb 0.02 -0.55 -0.02 0.00 -1.56 0.00 0.00 34.95 32.84 1iqf s ARG 63 CO 0.07 -0.03 -0.09 -0.59 -0.81 0.00 0.00 175.30 173.85 1iqf s PHE 64 N 0.59 0.82 0.20 5.12 -0.71 -1.26 -3.39 117.98 119.34 1iqf s PHE 64 Ca -0.07 -0.45 0.08 0.00 -1.04 0.00 0.00 56.93 55.45 1iqf s PHE 64 Cb -0.10 -0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 41.19 1iqf s PHE 64 CO -0.01 -0.04 0.03 0.15 -1.34 0.00 0.00 175.22 174.02 1iqf s LYS 65 N -1.49 2.48 -0.28 1.99 -0.14 0.49 -4.46 119.74 118.32 1iqf s LYS 65 Ca -0.07 -1.15 -0.01 0.00 -1.36 0.00 0.00 55.97 53.39 1iqf s LYS 65 Cb -0.09 -2.36 0.05 0.00 -1.68 0.00 0.00 37.83 33.74 1iqf s LYS 65 CO 0.01 0.43 -0.04 0.54 -0.76 0.00 0.00 175.35 175.53 1iqf s VAL 66 N -1.90 2.76 0.04 3.17 0.11 0.56 -0.37 120.40 124.77 1iqf s VAL 66 Ca 0.29 -1.35 -0.12 0.00 -2.93 0.00 0.00 61.98 57.87 1iqf s VAL 66 Cb -0.09 -2.55 -0.06 0.00 -1.53 0.00 0.00 36.38 32.16 1iqf s VAL 66 CO 0.20 -0.01 0.39 -0.60 -3.33 0.00 0.00 175.10 171.75 1iqf s ARG 67 N 1.24 3.80 0.04 1.54 3.52 0.92 -0.76 118.95 129.24 1iqf s ARG 67 Ca -0.05 0.25 -0.03 0.00 -0.13 0.00 0.00 55.73 55.77 1iqf s ARG 67 Cb -0.19 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.08 1iqf s ARG 67 CO -0.03 0.62 0.03 0.14 -0.81 0.00 0.00 175.30 175.26 1iqf s VAL 68 N -1.25 0.16 0.00 7.11 -7.23 -0.00 -0.19 120.40 118.99 1iqf s VAL 68 Ca 0.28 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 1iqf s VAL 68 Cb -0.15 -1.02 0.00 0.00 0.56 0.00 0.00 36.38 35.77 1iqf s VAL 68 CO 0.15 -0.73 0.00 0.61 -0.31 0.00 0.00 175.10 174.83 1iqf n GLY 69 N 0.65 1.85 3.71 2.32 0.00 -1.26 -0.74 105.19 111.72 1iqf n GLY 69 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1iqf n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iqf s ASP 70 N -2.34 7.13 -0.02 1.61 -1.08 -1.26 -3.99 116.67 116.71 1iqf s ASP 70 Ca 0.00 1.36 0.04 0.00 -0.52 0.00 0.00 52.55 53.43 1iqf s ASP 70 Cb 0.00 -2.47 0.05 0.00 -1.46 0.00 0.00 42.92 39.04 1iqf s ASP 70 CO 0.00 -0.19 0.99 0.54 0.52 0.00 0.00 175.17 177.03 1iqf n ARG 71 N 3.92 2.38 -3.54 4.34 1.74 -1.26 -4.88 116.66 119.37 1iqf n ARG 71 Ca 0.02 -1.62 -0.01 0.00 -0.77 0.00 0.00 57.85 55.47 1iqf n ARG 71 Cb 0.51 -1.05 -0.05 0.00 -1.02 0.00 0.00 32.46 30.86 1iqf n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1iqf s ASN 72 N -1.28 -0.76 -0.88 0.55 3.84 -1.26 -3.05 114.94 112.10 1iqf s ASN 72 Ca 0.06 1.08 -0.05 0.00 0.21 0.00 0.00 52.86 54.16 1iqf s ASN 72 Cb 0.05 1.73 0.08 0.00 -0.55 0.00 0.00 41.25 42.56 1iqf s ASN 72 CO 0.01 -0.16 2.60 0.35 -2.79 0.00 0.00 177.10 177.11 1iqf n THR 73 N 4.81 4.28 0.00 -5.21 -2.24 -0.03 -3.92 114.28 111.97 1iqf n THR 73 Ca -0.13 -3.62 0.00 0.00 -2.27 0.00 0.00 64.05 58.03 1iqf n THR 73 Cb 0.53 -1.85 0.00 0.00 -2.10 0.00 0.00 70.33 66.91 1iqf n THR 73 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1iqf n GLU 74 N 1.35 0.00 -3.56 -0.78 -0.00 -1.26 -4.99 120.64 111.40 1iqf n GLU 74 Ca 0.56 0.00 -0.13 0.00 -0.00 0.00 0.00 57.16 57.59 1iqf n GLU 74 Cb 0.41 0.00 -0.11 0.00 -0.00 0.00 0.00 31.44 31.73 1iqf n GLU 74 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1iqf s GLN 75 N 0.00 0.22 0.07 3.44 -0.21 -1.25 -5.12 119.66 116.81 1iqf s GLN 75 Ca 0.00 0.63 -0.33 0.00 0.02 0.00 0.00 55.36 55.68 1iqf s GLN 75 Cb 0.00 -0.32 -0.12 0.00 1.00 0.00 0.00 33.01 33.57 1iqf s GLN 75 CO 0.00 -0.43 1.77 -1.91 -2.12 0.00 0.00 175.29 172.60 1iqf n GLU 76 N 5.35 2.40 -0.20 2.91 4.07 -1.26 -4.79 120.64 129.12 1iqf n GLU 76 Ca -0.06 0.87 0.09 0.00 -0.06 0.00 0.00 57.16 58.01 1iqf n GLU 76 Cb 0.50 -2.71 0.20 0.00 -0.06 0.00 0.00 31.44 29.36 1iqf n GLU 76 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1iqf n GLU 77 N 5.28 2.39 0.00 5.31 4.71 -1.26 -4.97 120.64 132.10 1iqf n GLU 77 Ca 0.19 -2.15 0.00 0.00 -0.01 0.00 0.00 57.16 55.19 1iqf n GLU 77 Cb 0.32 -1.42 0.00 0.00 -1.01 0.00 0.00 31.44 29.34 1iqf n GLU 77 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1iqf n GLY 78 N 1.14 0.81 0.15 0.62 0.00 -1.26 -4.63 105.19 102.01 1iqf n GLY 78 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 1iqf n GLY 78 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iqf h GLY 79 N 0.00 0.00 -0.08 -0.02 0.00 -1.93 -3.45 103.07 97.59 1iqf h GLY 79 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1iqf h GLY 79 CO 0.00 0.00 -0.01 1.18 0.00 0.00 0.00 176.54 177.71 1iqf n GLU 80 N -2.40 -2.03 0.00 4.80 4.71 -1.26 -4.64 120.64 119.82 1iqf n GLU 80 Ca 0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 1iqf n GLU 80 Cb 0.31 -0.15 0.00 0.00 -1.01 0.00 0.00 31.44 30.59 1iqf n GLU 80 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1iqf n ALA 81 N -3.08 0.00 -2.79 0.62 0.00 0.08 -4.88 120.51 110.46 1iqf n ALA 81 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.22 1iqf n ALA 81 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.48 1iqf n ALA 81 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1iqf s VAL 82 N -1.22 4.89 -0.16 0.00 1.01 -1.26 -0.82 120.40 122.83 1iqf s VAL 82 Ca 0.00 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 1iqf s VAL 82 Cb 0.00 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.71 1iqf s VAL 82 CO 0.00 -0.30 0.41 -1.00 0.00 0.00 0.00 175.10 174.21 1iqf s HIS 83 N -2.07 -0.54 0.19 5.22 3.76 0.06 -4.94 115.29 116.97 1iqf s HIS 83 Ca 0.38 1.21 -0.07 0.00 -0.15 0.00 0.00 55.06 56.43 1iqf s HIS 83 Cb -0.09 0.22 -0.06 0.00 1.11 0.00 0.00 32.58 33.75 1iqf s HIS 83 CO 0.30 -0.29 0.46 -1.21 -0.85 0.00 0.00 174.74 173.15 1iqf s GLU 84 N 0.94 3.70 0.01 1.40 2.02 -1.26 -0.32 118.70 125.19 1iqf s GLU 84 Ca -0.06 0.08 -0.23 0.00 0.02 0.00 0.00 54.97 54.78 1iqf s GLU 84 Cb -0.06 -2.75 -0.05 0.00 0.10 0.00 0.00 34.13 31.37 1iqf s GLU 84 CO -0.08 0.39 0.69 0.08 0.02 0.00 0.00 175.26 176.37 1iqf s VAL 85 N -1.74 4.85 -0.15 2.63 1.01 -1.26 -1.36 120.40 124.37 1iqf s VAL 85 Ca 0.44 1.46 -0.01 0.00 0.00 0.00 0.00 61.98 63.87 1iqf s VAL 85 Cb -0.12 -4.04 -0.24 0.00 0.00 0.00 0.00 36.38 31.99 1iqf s VAL 85 CO 0.23 0.37 0.24 1.21 0.00 0.00 0.00 175.10 177.14 1iqf n GLU 86 N 2.93 0.72 -3.69 2.72 2.13 -0.10 -4.74 120.64 120.60 1iqf n GLU 86 Ca -0.04 0.23 -0.14 0.00 0.66 0.00 0.00 57.16 57.87 1iqf n GLU 86 Cb 0.51 -1.66 -0.09 0.00 0.27 0.00 0.00 31.44 30.47 1iqf n GLU 86 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1iqf s VAL 87 N -2.55 0.00 -0.16 6.31 -7.23 -1.21 -5.02 120.40 110.54 1iqf s VAL 87 Ca -0.23 -0.02 -0.03 0.00 -1.81 0.00 0.00 61.98 59.89 1iqf s VAL 87 Cb 0.07 -0.74 -0.02 0.00 0.56 0.00 0.00 36.38 36.25 1iqf s VAL 87 CO 0.74 -0.01 -0.06 0.54 -0.31 0.00 0.00 175.10 175.99 1iqf s VAL 88 N 0.12 3.52 -0.62 1.32 0.11 -1.26 -1.90 120.40 121.69 1iqf s VAL 88 Ca -0.01 -0.48 -0.08 0.00 -2.93 0.00 0.00 61.98 58.48 1iqf s VAL 88 Cb -0.04 -2.54 0.16 0.00 -1.53 0.00 0.00 36.38 32.43 1iqf s VAL 88 CO 0.01 0.48 0.49 -0.63 -3.33 0.00 0.00 175.10 172.12 1iqf s ILE 89 N 0.63 4.36 0.18 7.04 1.01 0.14 -4.97 121.20 129.59 1iqf s ILE 89 Ca -0.04 -2.41 -0.19 0.00 0.00 0.00 0.00 60.65 58.01 1iqf s ILE 89 Cb -0.15 -3.81 -0.08 0.00 0.01 0.00 0.00 42.46 38.44 1iqf s ILE 89 CO 0.03 -0.88 0.67 -0.75 0.00 0.00 0.00 174.94 174.00 1iqf s LYS 90 N 0.51 4.21 -0.63 2.79 2.20 -1.26 0.91 119.74 128.47 1iqf s LYS 90 Ca 0.13 0.79 -0.27 0.00 -0.36 0.00 0.00 55.97 56.26 1iqf s LYS 90 Cb -0.20 -2.98 0.01 0.00 -1.51 0.00 0.00 37.83 33.16 1iqf s LYS 90 CO -0.04 0.47 1.43 -1.58 -0.36 0.00 0.00 175.35 175.27 1iqf s HIS 91 N -1.41 2.20 0.00 4.03 5.65 -0.75 -4.90 115.29 120.11 1iqf s HIS 91 Ca 0.39 0.35 0.00 0.00 0.25 0.00 0.00 55.06 56.05 1iqf s HIS 91 Cb -0.17 -4.43 0.00 0.00 -1.18 0.00 0.00 32.58 26.80 1iqf s HIS 91 CO 0.21 -2.05 0.16 0.09 -0.65 0.00 0.00 174.74 172.50 1iqf n ASN 92 N 9.97 0.00 -0.40 9.88 4.13 -1.26 -0.82 115.26 136.77 1iqf n ASN 92 Ca 0.10 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.52 1iqf n ASN 92 Cb 0.50 -0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.68 1iqf n ASN 92 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1iqf n ARG 93 N -1.41 0.00 -1.66 3.52 1.74 -1.26 -4.77 116.66 112.82 1iqf n ARG 93 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 1iqf n ARG 93 Cb 0.00 -0.91 0.04 0.00 -1.02 0.00 0.00 32.46 30.57 1iqf n ARG 93 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1iqf s PHE 94 N -0.93 3.21 -0.30 -1.55 5.36 0.00 -4.70 117.98 119.08 1iqf s PHE 94 Ca 0.00 1.40 -0.07 0.00 -0.96 0.00 0.00 56.93 57.30 1iqf s PHE 94 Cb 0.00 -2.85 0.17 0.00 -0.34 0.00 0.00 43.02 40.00 1iqf s PHE 94 CO 0.00 -1.11 0.76 0.95 -1.46 0.00 0.00 175.22 174.36 1iqf s THR 95 N -3.04 -0.78 0.27 0.12 -4.23 -1.21 -4.99 115.64 101.78 1iqf s THR 95 Ca 0.58 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 61.07 1iqf s THR 95 Cb -0.13 -1.00 0.27 0.00 1.34 0.00 0.00 72.50 72.97 1iqf s THR 95 CO 0.54 0.00 1.68 0.07 -0.54 0.00 0.00 174.62 176.36 1iqf h LYS 96 N 7.93 0.27 -0.17 3.99 -0.00 -1.96 1.04 116.57 127.68 1iqf h LYS 96 Ca -0.19 -0.02 0.05 0.00 -0.00 0.00 0.00 60.65 60.49 1iqf h LYS 96 Cb 1.15 -0.06 -0.01 0.00 -0.00 0.00 0.00 32.23 33.31 1iqf h LYS 96 CO 0.13 0.18 0.49 1.05 -0.00 0.00 0.00 179.45 181.30 1iqf h GLU 97 N 0.28 0.00 0.00 0.07 9.09 -2.00 -2.93 114.58 119.09 1iqf h GLU 97 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.89 1iqf h GLU 97 Cb 0.88 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.98 1iqf h GLU 97 CO -0.56 0.00 -0.39 0.25 0.05 0.00 0.00 179.01 178.36 1iqf n THR 98 N -3.08 0.00 -1.96 -1.06 -2.24 0.00 -5.03 114.28 100.91 1iqf n THR 98 Ca 0.02 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 1iqf n THR 98 Cb 0.58 0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.92 1iqf n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1iqf n TYR 99 N -0.65 -0.35 -3.47 4.78 0.53 0.34 -5.00 117.16 113.34 1iqf n TYR 99 Ca 0.00 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.51 1iqf n TYR 99 Cb 0.02 -2.26 -0.06 0.00 -1.03 0.00 0.00 39.34 36.01 1iqf n TYR 99 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1iqf s ASP 100 N -2.65 6.60 -0.40 7.72 2.15 -1.24 -3.98 116.67 124.87 1iqf s ASP 100 Ca 0.00 0.72 -0.01 0.00 0.43 0.00 0.00 52.55 53.69 1iqf s ASP 100 Cb 0.00 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 1iqf s ASP 100 CO 0.00 0.13 0.34 0.49 -0.17 0.00 0.00 175.17 175.96 1iqf n PHE 101 N 3.12 -0.77 -2.67 -5.34 3.01 -1.26 -3.31 117.46 110.24 1iqf n PHE 101 Ca -0.11 0.31 -0.43 0.00 1.01 0.00 0.00 57.45 58.23 1iqf n PHE 101 Cb 0.52 -2.83 0.00 0.00 -0.01 0.00 0.00 39.48 37.16 1iqf n PHE 101 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1iqf n ASP 102 N -1.27 5.00 -3.71 4.37 2.03 -1.26 -4.34 116.55 117.38 1iqf n ASP 102 Ca -0.07 -2.95 -0.14 0.00 0.52 0.00 0.00 54.79 52.15 1iqf n ASP 102 Cb 0.55 -1.66 -0.08 0.00 -0.72 0.00 0.00 41.12 39.20 1iqf n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1iqf s ILE 103 N 2.98 0.05 0.10 5.18 2.07 -1.26 -3.66 121.20 126.65 1iqf s ILE 103 Ca 0.49 -0.40 -0.26 0.00 -1.41 0.00 0.00 60.65 59.07 1iqf s ILE 103 Cb 0.02 -0.72 0.08 0.00 0.13 0.00 0.00 42.46 41.98 1iqf s ILE 103 CO 0.04 -0.22 0.76 0.00 -1.91 0.00 0.00 174.94 173.61 1iqf s ALA 104 N -1.42 -1.68 -0.03 1.50 0.00 -0.05 -1.80 121.76 118.28 1iqf s ALA 104 Ca -0.12 0.64 -0.01 0.00 0.00 0.00 0.00 51.96 52.46 1iqf s ALA 104 Cb -0.04 0.66 0.03 0.00 0.00 0.00 0.00 23.12 23.77 1iqf s ALA 104 CO 0.05 -0.77 0.04 0.08 0.00 0.00 0.00 175.76 175.16 1iqf s VAL 105 N -3.45 -0.08 -0.18 0.00 1.01 0.26 -2.08 120.40 115.88 1iqf s VAL 105 Ca 0.04 0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 1iqf s VAL 105 Cb -0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 1iqf s VAL 105 CO -0.09 0.14 0.10 -0.76 0.00 0.00 0.00 175.10 174.49 1iqf s LEU 106 N 1.64 4.04 -0.22 3.92 1.43 -0.81 0.23 118.68 128.92 1iqf s LEU 106 Ca -0.02 0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 53.19 1iqf s LEU 106 Cb -0.12 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1iqf s LEU 106 CO -0.03 0.20 0.07 -0.60 0.23 0.00 0.00 176.35 176.23 1iqf s ARG 107 N 0.21 3.85 0.61 1.70 3.52 -0.80 -1.20 118.95 126.84 1iqf s ARG 107 Ca 0.07 -0.40 -0.16 0.00 -0.13 0.00 0.00 55.73 55.11 1iqf s ARG 107 Cb -0.12 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 29.96 1iqf s ARG 107 CO -0.01 0.06 1.08 -0.51 -0.81 0.00 0.00 175.30 175.12 1iqf s LEU 108 N 0.96 3.49 0.15 -0.88 1.43 0.28 -0.92 118.68 123.19 1iqf s LEU 108 Ca 0.04 1.93 -0.04 0.00 -1.03 0.00 0.00 54.13 55.02 1iqf s LEU 108 Cb -0.14 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.53 1iqf s LEU 108 CO 0.03 -1.34 1.39 0.50 0.23 0.00 0.00 176.35 177.16 1iqf h LYS 109 N 0.39 0.50 -6.51 1.70 3.11 -1.51 -3.42 116.57 110.84 1iqf h LYS 109 Ca -0.47 -0.42 -0.63 0.00 -2.81 0.00 0.00 60.65 56.32 1iqf h LYS 109 Cb 1.23 0.09 -0.19 0.00 -1.00 0.00 0.00 32.23 32.36 1iqf h LYS 109 CO 0.56 1.05 -0.82 0.95 -2.81 0.00 0.00 179.45 178.38 1iqf s THR 110 N -3.61 2.21 0.50 1.00 -4.23 -1.26 -5.02 115.64 105.23 1iqf s THR 110 Ca -0.07 -1.95 -0.20 0.00 -1.18 0.00 0.00 61.69 58.29 1iqf s THR 110 Cb 0.10 -2.02 -0.07 0.00 1.34 0.00 0.00 72.50 71.84 1iqf s THR 110 CO 0.86 -0.12 1.08 -2.84 -0.54 0.00 0.00 174.62 173.06 1iqf s PRO 111 N -2.56 3.63 0.37 3.99 0.02 -1.26 -4.85 135.00 134.34 1iqf s PRO 111 Ca 0.18 1.48 -0.21 0.00 0.02 0.00 0.00 61.00 62.47 1iqf s PRO 111 Cb -0.08 -2.09 -0.10 0.00 0.02 0.00 0.00 34.50 32.25 1iqf s PRO 111 CO 0.08 -0.59 0.90 0.42 -0.33 0.00 0.00 177.00 177.48 1iqf s ILE 112 N -1.87 4.40 -0.28 2.83 1.01 0.51 -4.99 121.20 122.81 1iqf s ILE 112 Ca 0.69 1.49 -0.01 0.00 0.00 0.00 0.00 60.65 62.81 1iqf s ILE 112 Cb -0.20 -3.73 0.04 0.00 0.01 0.00 0.00 42.46 38.58 1iqf s ILE 112 CO 0.23 -0.14 -0.03 0.42 0.00 0.00 0.00 174.94 175.43 1iqf s THR 113 N -1.95 2.90 -0.39 2.92 -4.23 -1.26 -4.76 115.64 108.87 1iqf s THR 113 Ca 0.56 -1.30 -0.27 0.00 -1.18 0.00 0.00 61.69 59.49 1iqf s THR 113 Cb -0.12 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 1iqf s THR 113 CO 0.17 -0.02 2.05 -0.36 -0.54 0.00 0.00 174.62 175.93 1iqf s PHE 114 N 1.26 1.46 0.00 3.99 0.08 -1.26 -4.92 117.98 118.58 1iqf s PHE 114 Ca -0.04 0.84 0.00 0.00 0.12 0.00 0.00 56.93 57.85 1iqf s PHE 114 Cb -0.19 -3.95 0.00 0.00 -0.57 0.00 0.00 43.02 38.31 1iqf s PHE 114 CO -0.02 -3.03 0.00 2.89 -0.10 0.00 0.00 175.22 174.95 1iqf n ARG 115 N 8.78 3.89 -1.87 0.44 0.00 -0.93 -5.00 116.66 121.97 1iqf n ARG 115 Ca 0.27 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.82 1iqf n ARG 115 Cb 0.49 0.00 0.05 0.00 -0.00 0.00 0.00 32.46 33.00 1iqf n ARG 115 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 1iqf s MET 116 N 1.90 2.78 0.00 2.89 -2.45 -1.26 -3.17 119.30 119.99 1iqf s MET 116 Ca 0.00 0.46 0.00 0.00 -1.25 0.00 0.00 55.69 54.90 1iqf s MET 116 Cb 0.00 -2.01 0.00 0.00 1.25 0.00 0.00 34.83 34.07 1iqf s MET 116 CO 0.00 -1.09 0.00 0.09 1.05 0.00 0.00 175.02 175.07 1iqf n ASN 117 N -3.04 -2.27 -3.44 1.11 4.13 -1.26 -4.84 115.26 105.64 1iqf n ASN 117 Ca 0.07 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.12 1iqf n ASN 117 Cb 0.57 -2.61 -0.11 0.00 -1.54 0.00 0.00 39.78 36.09 1iqf n ASN 117 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1iqf s VAL 118 N -0.88 -0.30 0.17 2.41 1.01 -1.19 -4.12 120.40 117.50 1iqf s VAL 118 Ca 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 1iqf s VAL 118 Cb 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1iqf s VAL 118 CO 0.00 -0.55 0.26 0.00 0.00 0.00 0.00 175.10 174.81 1iqf s ALA 119 N 2.26 0.16 0.03 5.51 0.00 -0.17 -2.20 121.76 127.34 1iqf s ALA 119 Ca 0.09 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 1iqf s ALA 119 Cb -0.15 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 1iqf s ALA 119 CO -0.34 -0.64 0.23 -1.25 0.00 0.00 0.00 175.76 173.76 1iqf s PRO 120 N -3.99 3.49 0.29 0.00 0.04 -1.26 -3.72 135.00 129.85 1iqf s PRO 120 Ca 0.20 -0.27 -0.08 0.00 0.04 0.00 0.00 61.00 60.88 1iqf s PRO 120 Cb 0.04 -3.05 -0.06 0.00 0.04 0.00 0.00 34.50 31.46 1iqf s PRO 120 CO 0.02 0.63 0.60 0.00 0.04 0.00 0.00 177.00 178.29 1iqf s ALA 121 N -1.40 3.54 0.57 8.56 0.00 -0.44 -4.97 121.76 127.61 1iqf s ALA 121 Ca 0.31 -0.38 -0.14 0.00 0.00 0.00 0.00 51.96 51.75 1iqf s ALA 121 Cb -0.13 -2.44 -0.06 0.00 0.00 0.00 0.00 23.12 20.50 1iqf s ALA 121 CO 0.21 0.28 1.01 0.00 0.00 0.00 0.00 175.76 177.27 1iqf s LEU 123 N -4.55 3.65 0.73 0.00 2.01 -1.26 -0.50 118.68 118.75 1iqf s LEU 123 Ca 0.58 0.03 -0.01 0.00 0.01 0.00 0.00 54.13 54.74 1iqf s LEU 123 Cb -0.11 -1.91 0.13 0.00 0.01 0.00 0.00 46.19 44.31 1iqf s LEU 123 CO 0.40 0.19 1.00 -2.16 1.01 0.00 0.00 176.35 176.79 1iqf s PRO 124 N 0.29 1.65 -0.12 1.29 0.04 -1.26 -4.96 135.00 131.93 1iqf s PRO 124 Ca 0.01 -1.12 -0.17 0.00 0.04 0.00 0.00 61.00 59.77 1iqf s PRO 124 Cb -0.13 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1iqf s PRO 124 CO 0.01 -1.47 0.42 -2.00 0.04 0.00 0.00 177.00 174.00 1iqf s GLU 124 N -5.15 4.27 0.00 4.56 -6.30 -1.26 -4.93 118.70 109.88 1iqf s GLU 124 Ca 0.67 0.35 0.00 0.00 -2.50 0.00 0.00 54.97 53.49 1iqf s GLU 124 Cb -0.05 -3.41 0.00 0.00 0.00 0.00 0.00 34.13 30.67 1iqf s GLU 124 CO 0.44 0.24 0.31 -2.13 0.02 0.00 0.00 175.26 174.15 1iqf n ARG 125 N 3.43 0.00 -0.34 4.30 0.63 -1.26 0.39 116.66 123.81 1iqf n ARG 125 Ca -0.09 0.31 0.26 0.00 -0.92 0.00 0.00 57.85 57.41 1iqf n ARG 125 Cb 0.52 -0.72 0.50 0.00 0.45 0.00 0.00 32.46 33.21 1iqf n ARG 125 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1iqf h ASP 126 N 0.00 0.47 0.56 6.15 3.45 -1.95 0.55 116.42 125.65 1iqf h ASP 126 Ca 0.00 0.19 -0.03 0.00 0.43 0.00 0.00 57.03 57.62 1iqf h ASP 126 Cb 0.00 0.14 0.01 0.00 -0.56 0.00 0.00 39.33 38.92 1iqf h ASP 126 CO 0.00 -0.16 -0.27 -0.25 -1.57 0.00 0.00 179.24 176.99 1iqf h TRP 127 N 0.28 -0.70 -0.06 4.55 7.01 -1.63 -2.74 115.95 122.65 1iqf h TRP 127 Ca 0.75 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.75 1iqf h TRP 127 Cb 1.81 0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 29.07 1iqf h TRP 127 CO -0.01 -0.38 -0.29 0.00 -2.79 0.00 0.00 178.44 174.98 1iqf h ALA 128 N -0.54 -0.68 -1.21 2.65 0.00 0.21 0.66 119.26 120.34 1iqf h ALA 128 Ca -0.08 -0.03 0.35 0.00 0.00 0.00 0.00 54.91 55.15 1iqf h ALA 128 Cb 0.63 0.80 -0.07 0.00 0.00 0.00 0.00 17.79 19.15 1iqf h ALA 128 CO 0.13 -0.78 0.84 0.93 0.00 0.00 0.00 179.25 180.37 1iqf h GLU 129 N -0.31 0.10 0.00 0.00 5.08 -1.20 0.76 114.58 119.01 1iqf h GLU 129 Ca 0.02 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1iqf h GLU 129 Cb 0.36 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1iqf h GLU 129 CO -0.23 0.07 -1.73 0.45 -1.00 0.00 0.00 179.01 176.57 1iqf n SER 130 N -4.32 0.37 0.00 1.42 2.88 -0.88 -4.08 113.62 109.02 1iqf n SER 130 Ca 0.28 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1iqf n SER 130 Cb 1.22 1.10 0.00 0.00 -0.75 0.00 0.00 64.21 65.78 1iqf n SER 130 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1iqf n THR 131 N -2.57 0.00 0.16 2.46 -1.04 0.17 -4.48 114.28 108.98 1iqf n THR 131 Ca -0.09 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.83 1iqf n THR 131 Cb 0.73 -0.54 -0.04 0.00 -1.82 0.00 0.00 70.33 68.65 1iqf n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1iqf h LEU 131 N 0.00 -0.41 -0.78 -4.42 4.07 0.40 -3.20 115.31 110.97 1iqf h LEU 131 Ca 0.00 -0.04 -0.13 0.00 0.08 0.00 0.00 57.88 57.79 1iqf h LEU 131 Cb 0.89 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 1iqf h LEU 131 CO 0.00 0.04 -0.61 0.24 -1.08 0.00 0.00 178.44 177.03 1iqf h MET 131 N -1.10 0.00 0.00 1.13 2.86 -1.59 -2.63 114.93 113.61 1iqf h MET 131 Ca -0.05 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1iqf h MET 131 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1iqf h MET 131 CO 0.08 0.61 0.00 0.25 1.06 0.00 0.00 176.91 178.91 1iqf n THR 132 N -3.81 0.83 -0.88 2.22 -2.24 -1.26 -4.76 114.28 104.38 1iqf n THR 132 Ca -0.01 0.19 -0.32 0.00 -2.27 0.00 0.00 64.05 61.63 1iqf n THR 132 Cb 0.61 -1.00 0.14 0.00 -2.10 0.00 0.00 70.33 67.98 1iqf n THR 132 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1iqf n GLN 133 N -1.85 -0.16 0.27 -0.78 -0.06 -0.99 -4.95 117.38 108.85 1iqf n GLN 133 Ca 0.03 0.02 -0.16 0.00 -2.00 0.00 0.00 57.00 54.89 1iqf n GLN 133 Cb 0.22 -2.30 -0.08 0.00 -4.06 0.00 0.00 30.24 24.02 1iqf n GLN 133 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 1iqf h LYS 134 N -1.41 -0.61 -4.95 3.69 1.79 -1.86 -3.44 116.57 109.77 1iqf h LYS 134 Ca -0.44 0.04 -0.48 0.00 -2.18 0.00 0.00 60.65 57.59 1iqf h LYS 134 Cb 1.29 0.14 -0.14 0.00 -1.58 0.00 0.00 32.23 31.94 1iqf h LYS 134 CO 0.42 -0.40 -0.53 0.95 -1.08 0.00 0.00 179.45 178.80 1iqf s THR 135 N -6.07 0.39 0.37 -0.16 -4.23 -1.26 -2.34 115.64 102.34 1iqf s THR 135 Ca -0.16 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.39 1iqf s THR 135 Cb 0.04 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 1iqf s THR 135 CO 0.63 0.00 0.16 -0.83 -0.54 0.00 0.00 174.62 174.04 1iqf s GLY 136 N -3.46 2.43 -0.14 3.99 0.00 0.55 -4.69 107.32 106.00 1iqf s GLY 136 Ca 0.32 -1.51 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1iqf s GLY 136 CO 0.18 -1.72 -0.16 -0.42 0.00 0.00 0.00 173.10 170.99 1iqf s ILE 137 N -3.34 1.63 -0.04 0.90 -1.09 0.44 -1.02 121.20 118.67 1iqf s ILE 137 Ca 0.29 -0.69 0.06 0.00 -2.23 0.00 0.00 60.65 58.09 1iqf s ILE 137 Cb 0.03 -1.50 -0.01 0.00 -1.58 0.00 0.00 42.46 39.40 1iqf s ILE 137 CO 0.17 0.47 -0.24 0.54 -1.23 0.00 0.00 174.94 174.65 1iqf s VAL 138 N 1.27 1.96 0.13 2.92 0.11 -1.14 0.89 120.40 126.54 1iqf s VAL 138 Ca 0.01 -1.03 -0.07 0.00 -2.93 0.00 0.00 61.98 57.96 1iqf s VAL 138 Cb -0.14 -1.65 -0.02 0.00 -1.53 0.00 0.00 36.38 33.05 1iqf s VAL 138 CO -0.08 0.55 0.19 -0.94 -3.33 0.00 0.00 175.10 171.49 1iqf s SER 139 N -0.30 0.15 0.00 3.54 1.04 -1.23 -0.89 113.70 116.01 1iqf s SER 139 Ca 0.01 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.54 1iqf s SER 139 Cb -0.12 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1iqf s SER 139 CO 0.02 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1iqf n GLY 140 N -0.13 -0.50 1.03 7.32 0.00 -0.61 -4.23 105.19 108.07 1iqf n GLY 140 Ca -0.09 -1.16 0.11 0.00 0.00 0.00 0.00 46.02 44.87 1iqf n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iqf n PHE 141 N -0.62 0.40 -0.44 1.61 3.72 -1.26 -2.24 117.46 118.63 1iqf n PHE 141 Ca 0.00 -0.22 -0.29 0.00 -0.05 0.00 0.00 57.45 56.89 1iqf n PHE 141 Cb 0.00 -0.00 0.27 0.00 -0.94 0.00 0.00 39.48 38.81 1iqf n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1iqf s GLY 142 N -1.45 1.49 0.41 1.37 0.00 -1.26 0.04 107.32 107.93 1iqf s GLY 142 Ca 0.34 -0.35 -0.22 0.00 0.00 0.00 0.00 44.72 44.49 1iqf s GLY 142 CO 0.29 0.48 0.37 0.54 0.00 0.00 0.00 173.10 174.78 1iqf n ARG 143 N -5.24 0.33 -0.83 2.90 1.74 -0.23 -1.42 116.66 113.91 1iqf n ARG 143 Ca 0.05 0.12 0.07 0.00 -0.77 0.00 0.00 57.85 57.33 1iqf n ARG 143 Cb 0.56 -1.30 0.39 0.00 -1.02 0.00 0.00 32.46 31.09 1iqf n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1iqf n THR 144 N -0.91 2.65 0.00 0.55 -2.24 -1.26 0.25 114.28 113.32 1iqf n THR 144 Ca 0.12 -1.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.45 1iqf n THR 144 Cb 0.39 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1iqf n THR 144 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1iqf n HIS 145 N 0.54 0.00 -0.34 4.78 -0.00 -1.26 -4.48 115.22 114.46 1iqf n HIS 145 Ca 0.27 0.00 0.31 0.00 -0.00 0.00 0.00 57.72 58.30 1iqf n HIS 145 Cb 1.15 0.00 0.65 0.00 -0.00 0.00 0.00 29.99 31.79 1iqf n HIS 145 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 1iqf h GLU 147 N 0.00 0.15 0.00 1.57 4.81 -1.91 -2.78 114.58 116.43 1iqf h GLU 147 Ca 0.00 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.08 1iqf h GLU 147 Cb 0.00 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1iqf h GLU 147 CO 0.00 0.10 -1.69 1.63 -0.73 0.00 0.00 179.01 178.32 1iqf n LYS 148 N -4.38 1.65 -0.55 1.92 5.02 -1.26 -4.97 118.16 115.59 1iqf n LYS 148 Ca 0.27 -0.04 -0.27 0.00 -2.02 0.00 0.00 58.31 56.25 1iqf n LYS 148 Cb 1.13 -1.28 0.19 0.00 -0.02 0.00 0.00 35.03 35.05 1iqf n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iqf n GLY 149 N 2.17 -2.66 3.91 0.72 0.00 -1.05 -4.99 105.19 103.30 1iqf n GLY 149 Ca -0.13 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 1iqf n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iqf s ARG 150 N -3.73 3.33 1.01 1.61 1.70 -1.26 -4.76 118.95 116.86 1iqf s ARG 150 Ca 0.52 0.12 -0.16 0.00 -0.47 0.00 0.00 55.73 55.73 1iqf s ARG 150 Cb -0.11 -2.35 0.02 0.00 -0.57 0.00 0.00 34.95 31.95 1iqf s ARG 150 CO 0.54 -0.37 0.02 0.94 -1.08 0.00 0.00 175.30 175.35 1iqf n GLN 151 N -2.36 -0.67 -3.29 3.89 7.27 -1.26 -4.04 117.38 116.92 1iqf n GLN 151 Ca 0.02 -0.17 -0.31 0.00 0.07 0.00 0.00 57.00 56.61 1iqf n GLN 151 Cb 0.56 -1.66 -0.05 0.00 2.41 0.00 0.00 30.24 31.50 1iqf n GLN 151 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1iqf s SER 152 N -1.78 6.63 -0.13 1.69 0.15 0.11 -4.84 113.70 115.52 1iqf s SER 152 Ca 0.53 1.00 -0.15 0.00 0.70 0.00 0.00 55.95 58.03 1iqf s SER 152 Cb -0.16 -2.26 -0.25 0.00 -1.71 0.00 0.00 66.02 61.64 1iqf s SER 152 CO 0.69 -0.15 0.43 0.74 1.20 0.00 0.00 173.24 176.14 1iqf h THR 153 N 1.82 0.89 -2.01 6.45 2.02 -1.93 -3.46 112.91 116.70 1iqf h THR 153 Ca -0.47 -2.33 -0.46 0.00 0.77 0.00 0.00 66.41 63.92 1iqf h THR 153 Cb 1.17 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 70.12 1iqf h THR 153 CO 0.67 0.67 -0.40 -0.13 0.37 0.00 0.00 175.52 176.70 1iqf s ARG 154 N -2.47 3.23 -0.28 6.66 1.81 -1.26 -0.85 118.95 125.78 1iqf s ARG 154 Ca -0.23 -0.92 -0.25 0.00 -1.72 0.00 0.00 55.73 52.61 1iqf s ARG 154 Cb 0.05 -2.82 0.00 0.00 -0.45 0.00 0.00 34.95 31.74 1iqf s ARG 154 CO 0.73 0.25 0.88 -1.17 -0.68 0.00 0.00 175.30 175.31 1iqf s LEU 155 N -4.05 4.06 0.17 2.53 2.96 -1.17 -4.67 118.68 118.50 1iqf s LEU 155 Ca 0.39 0.91 0.07 0.00 -0.22 0.00 0.00 54.13 55.29 1iqf s LEU 155 Cb -0.09 -3.24 -0.04 0.00 0.50 0.00 0.00 46.19 43.32 1iqf s LEU 155 CO 0.29 -0.64 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.13 1iqf s LYS 156 N 3.08 2.35 -0.02 1.98 1.02 -0.95 0.63 119.74 127.83 1iqf s LYS 156 Ca 0.37 -1.13 0.02 0.00 0.02 0.00 0.00 55.97 55.25 1iqf s LYS 156 Cb -0.14 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 1iqf s LYS 156 CO 0.11 0.45 -0.07 0.00 -0.92 0.00 0.00 175.35 174.93 1iqf s MET 157 N -2.91 0.67 -0.15 1.68 0.23 0.14 -1.58 119.30 117.38 1iqf s MET 157 Ca 0.27 -0.22 -0.01 0.00 -1.03 0.00 0.00 55.69 54.69 1iqf s MET 157 Cb -0.09 -0.66 0.04 0.00 -1.53 0.00 0.00 34.83 32.59 1iqf s MET 157 CO 0.18 0.09 -0.02 -1.17 -2.03 0.00 0.00 175.02 172.08 1iqf s LEU 158 N 0.13 1.28 -0.08 0.18 0.20 -0.07 0.10 118.68 120.41 1iqf s LEU 158 Ca -0.01 -0.59 -0.30 0.00 0.69 0.00 0.00 54.13 53.92 1iqf s LEU 158 Cb -0.06 -0.72 -0.04 0.00 -0.43 0.00 0.00 46.19 44.93 1iqf s LEU 158 CO -0.00 -0.22 1.43 -0.70 -0.29 0.00 0.00 176.35 176.57 1iqf s GLU 159 N 1.77 4.23 -0.10 1.98 2.12 -1.26 -2.88 118.70 124.55 1iqf s GLU 159 Ca 0.01 1.92 0.02 0.00 0.36 0.00 0.00 54.97 57.28 1iqf s GLU 159 Cb -0.15 -3.79 -0.01 0.00 0.26 0.00 0.00 34.13 30.43 1iqf s GLU 159 CO -0.07 -0.72 -0.18 0.14 -0.54 0.00 0.00 175.26 173.89 1iqf s VAL 160 N 3.40 2.65 0.61 3.70 -7.23 -0.19 -4.93 120.40 118.41 1iqf s VAL 160 Ca 0.63 -0.82 -0.17 0.00 -1.81 0.00 0.00 61.98 59.81 1iqf s VAL 160 Cb -0.28 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.58 1iqf s VAL 160 CO 0.23 0.55 1.15 -2.84 -0.31 0.00 0.00 175.10 173.88 1iqf s PRO 161 N 0.13 2.94 0.44 4.82 0.02 -1.25 -0.33 135.00 141.76 1iqf s PRO 161 Ca -0.09 1.62 -0.22 0.00 0.02 0.00 0.00 61.00 62.33 1iqf s PRO 161 Cb -0.15 -1.95 -0.09 0.00 0.02 0.00 0.00 34.50 32.33 1iqf s PRO 161 CO 0.06 -1.18 1.04 0.71 -0.33 0.00 0.00 177.00 177.30 1iqf s TYR 162 N -1.91 3.15 0.01 6.54 2.02 -0.99 -0.19 117.35 125.98 1iqf s TYR 162 Ca 0.72 1.61 0.02 0.00 -0.37 0.00 0.00 57.07 59.06 1iqf s TYR 162 Cb -0.25 -3.09 -0.04 0.00 -0.40 0.00 0.00 41.96 38.18 1iqf s TYR 162 CO 0.35 -0.70 -0.01 0.08 -1.57 0.00 0.00 175.55 173.70 1iqf s VAL 163 N -1.81 4.05 0.05 0.71 1.01 -1.21 -4.79 120.40 118.40 1iqf s VAL 163 Ca 0.62 -0.66 -0.33 0.00 0.00 0.00 0.00 61.98 61.60 1iqf s VAL 163 Cb -0.19 -2.81 -0.12 0.00 0.00 0.00 0.00 36.38 33.26 1iqf s VAL 163 CO 0.24 0.36 1.78 -0.67 0.00 0.00 0.00 175.10 176.81 1iqf n ASP 164 N 1.36 3.53 0.07 3.32 2.03 -1.26 -4.70 116.55 120.90 1iqf n ASP 164 Ca -0.14 1.01 0.03 0.00 0.52 0.00 0.00 54.79 56.20 1iqf n ASP 164 Cb 0.53 -1.44 0.14 0.00 -0.72 0.00 0.00 41.12 39.62 1iqf n ASP 164 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1iqf n ARG 165 N 5.45 0.04 -0.07 -0.67 3.00 -1.26 -0.85 116.66 122.30 1iqf n ARG 165 Ca 0.20 0.39 -0.12 0.00 -0.00 0.00 0.00 57.85 58.32 1iqf n ARG 165 Cb 0.32 -1.91 -0.04 0.00 0.00 0.00 0.00 32.46 30.83 1iqf n ARG 165 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1iqf n ASN 166 N -1.59 1.57 -0.35 6.15 3.02 -1.26 -4.21 115.26 118.59 1iqf n ASN 166 Ca -0.00 0.26 0.29 0.00 -0.03 0.00 0.00 54.58 55.09 1iqf n ASN 166 Cb 0.30 -0.60 0.60 0.00 -0.61 0.00 0.00 39.78 39.47 1iqf n ASN 166 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1iqf h SER 167 N -0.70 0.29 -0.01 6.41 0.02 -1.82 0.15 113.55 117.90 1iqf h SER 167 Ca -0.18 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1iqf h SER 167 Cb 0.96 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1iqf h SER 167 CO -0.11 0.02 -0.06 0.00 -1.14 0.00 0.00 176.83 175.54 1iqf h LYS 169 N -0.07 0.19 0.29 0.00 1.57 -0.91 -2.55 116.57 115.10 1iqf h LYS 169 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1iqf h LYS 169 Cb 0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1iqf h LYS 169 CO -0.04 0.13 -0.22 -0.07 -0.57 0.00 0.00 179.45 178.67 1iqf h LEU 170 N 0.20 -0.58 -1.94 2.94 3.38 -0.91 -2.94 115.31 115.45 1iqf h LEU 170 Ca 0.40 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.42 1iqf h LEU 170 Cb 0.68 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1iqf h LEU 170 CO -0.55 -0.34 0.06 0.77 0.09 0.00 0.00 178.44 178.47 1iqf h SER 171 N -0.52 0.07 -2.10 -0.43 4.64 -0.86 -3.44 113.55 110.90 1iqf h SER 171 Ca -0.02 -0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.08 1iqf h SER 171 Cb 0.46 -0.02 0.13 0.00 -0.31 0.00 0.00 62.40 62.66 1iqf h SER 171 CO -0.01 0.05 -0.11 -0.24 -0.87 0.00 0.00 176.83 175.65 1iqf n SER 172 N -4.52 -3.23 0.00 4.97 2.88 -0.99 -4.80 113.62 107.92 1iqf n SER 172 Ca -0.01 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 57.00 1iqf n SER 172 Cb 0.12 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 1iqf n SER 172 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1iqf n SER 173 N -3.79 0.08 -3.97 -3.46 7.64 -1.26 -5.07 113.62 103.80 1iqf n SER 173 Ca 0.08 -0.38 -0.09 0.00 1.01 0.00 0.00 58.87 59.49 1iqf n SER 173 Cb 0.36 0.24 -0.10 0.00 -1.01 0.00 0.00 64.21 63.70 1iqf n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1iqf s PHE 174 N -0.24 0.27 0.03 1.43 0.08 -1.26 -5.12 117.98 113.18 1iqf s PHE 174 Ca 0.00 -0.61 -0.36 0.00 0.12 0.00 0.00 56.93 56.08 1iqf s PHE 174 Cb 0.00 -0.20 -0.15 0.00 -0.57 0.00 0.00 43.02 42.10 1iqf s PHE 174 CO 0.00 -0.32 1.55 -0.89 -0.10 0.00 0.00 175.22 175.45 1iqf n ILE 175 N 0.87 0.12 -3.27 0.64 5.41 -1.26 -4.92 119.36 116.95 1iqf n ILE 175 Ca -0.19 -0.02 -0.44 0.00 1.00 0.00 0.00 62.75 63.09 1iqf n ILE 175 Cb 0.58 -1.24 -0.07 0.00 -0.71 0.00 0.00 39.64 38.20 1iqf n ILE 175 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1iqf s ILE 176 N 1.54 5.05 0.00 1.39 -1.09 -1.26 -5.04 121.20 121.79 1iqf s ILE 176 Ca 0.86 -0.76 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 1iqf s ILE 176 Cb -0.85 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 35.82 1iqf s ILE 176 CO 0.47 -0.69 0.00 0.35 -1.23 0.00 0.00 174.94 173.85 1iqf n THR 177 N 5.41 0.00 -0.15 2.92 -2.24 -1.26 -4.91 114.28 114.05 1iqf n THR 177 Ca -0.09 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.59 1iqf n THR 177 Cb 0.45 -1.74 -0.01 0.00 -2.10 0.00 0.00 70.33 66.93 1iqf n THR 177 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1iqf h GLN 178 N 0.00 0.70 -0.22 -0.78 4.20 -2.03 -2.81 115.11 114.16 1iqf h GLN 178 Ca 0.00 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1iqf h GLN 178 Cb 0.00 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1iqf h GLN 178 CO 0.00 0.74 0.00 0.09 -0.67 0.00 0.00 178.83 178.99 1iqf n ASN 179 N -4.49 0.34 -4.67 1.46 3.02 -1.26 -4.83 115.26 104.82 1iqf n ASN 179 Ca -0.00 -2.01 -0.25 0.00 -0.03 0.00 0.00 54.58 52.29 1iqf n ASN 179 Cb 0.24 -0.12 -0.08 0.00 -0.61 0.00 0.00 39.78 39.21 1iqf n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1iqf s MET 180 N -1.78 2.14 -0.29 3.52 -1.94 -1.06 -0.10 119.30 119.79 1iqf s MET 180 Ca 0.02 -1.79 -0.18 0.00 -1.71 0.00 0.00 55.69 52.02 1iqf s MET 180 Cb 0.01 -1.94 0.15 0.00 2.01 0.00 0.00 34.83 35.06 1iqf s MET 180 CO 0.01 0.04 1.03 -0.59 -0.01 0.00 0.00 175.02 175.50 1iqf s PHE 181 N -2.55 -0.49 0.60 -0.03 -0.12 -0.90 -4.52 117.98 109.96 1iqf s PHE 181 Ca 0.37 1.02 -0.12 0.00 -0.05 0.00 0.00 56.93 58.14 1iqf s PHE 181 Cb 0.02 0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.69 1iqf s PHE 181 CO 0.20 -0.24 1.02 0.00 -0.05 0.00 0.00 175.22 176.16 1iqf s ALA 183 N -3.03 -2.42 0.00 0.00 0.00 -0.70 -3.31 121.76 112.29 1iqf s ALA 183 Ca 0.56 2.13 0.00 0.00 0.00 0.00 0.00 51.96 54.65 1iqf s ALA 183 Cb -0.11 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1iqf s ALA 183 CO 0.49 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.31 1iqf n GLY 184 N 3.52 0.45 3.29 0.00 0.00 0.74 -2.87 105.19 110.32 1iqf n GLY 184 Ca -0.18 -1.28 -0.17 0.00 0.00 0.00 0.00 46.02 44.39 1iqf n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iqf s TYR 185 N -4.00 1.50 -0.31 1.61 2.02 -1.26 -3.92 117.35 112.99 1iqf s TYR 185 Ca 0.00 -0.63 0.22 0.00 -0.37 0.00 0.00 57.07 56.30 1iqf s TYR 185 Cb 0.00 -0.74 -0.10 0.00 -0.40 0.00 0.00 41.96 40.72 1iqf s TYR 185 CO 0.00 0.22 0.85 -3.47 -1.57 0.00 0.00 175.55 171.59 1iqf n ASP 185 N -0.10 0.50 0.00 2.29 4.64 -1.26 -4.49 116.55 118.13 1iqf n ASP 185 Ca -0.10 0.02 0.00 0.00 -1.38 0.00 0.00 54.79 53.32 1iqf n ASP 185 Cb 0.60 1.07 0.00 0.00 -1.04 0.00 0.00 41.12 41.75 1iqf n ASP 185 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1iqf n THR 185 N -2.29 0.00 -1.99 5.18 -2.24 -1.26 -0.49 114.28 111.19 1iqf n THR 185 Ca -0.01 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 1iqf n THR 185 Cb 0.51 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 1iqf n THR 185 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1iqf s LYS 186 N -0.36 4.23 0.00 -0.78 2.20 -1.26 -4.85 119.74 118.91 1iqf s LYS 186 Ca 0.00 2.27 -0.02 0.00 -0.36 0.00 0.00 55.97 57.85 1iqf s LYS 186 Cb 0.00 -3.42 -0.11 0.00 -1.51 0.00 0.00 37.83 32.79 1iqf s LYS 186 CO 0.00 -0.64 1.92 1.04 -0.36 0.00 0.00 175.35 177.31 1iqf n GLN 187 N 4.90 0.96 -4.81 4.03 1.13 -1.26 -4.73 117.38 117.60 1iqf n GLN 187 Ca 0.14 -0.40 -0.26 0.00 -1.94 0.00 0.00 57.00 54.55 1iqf n GLN 187 Cb 0.40 -1.62 -0.16 0.00 0.11 0.00 0.00 30.24 28.98 1iqf n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1iqf s GLU 188 N 1.58 1.77 0.00 -1.09 2.02 -1.26 -4.41 118.70 117.31 1iqf s GLU 188 Ca 0.27 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.67 1iqf s GLU 188 Cb 0.13 -1.53 0.00 0.00 0.10 0.00 0.00 34.13 32.83 1iqf s GLU 188 CO 0.00 0.22 0.00 -3.47 0.02 0.00 0.00 175.26 172.03 1iqf n ASP 189 N 3.21 0.00 -3.87 -0.19 2.03 -1.11 -4.39 116.55 112.22 1iqf n ASP 189 Ca -0.18 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.83 1iqf n ASP 189 Cb 0.53 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 41.21 1iqf n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1iqf n ALA 190 N -0.42 -4.11 -3.00 -1.67 0.00 -1.26 -1.59 120.51 108.47 1iqf n ALA 190 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 51.85 1iqf n ALA 190 Cb 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1iqf n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iqf n GLN 192 N 0.00 1.54 0.00 0.00 7.27 -1.26 -2.09 117.38 122.84 1iqf n GLN 192 Ca 0.00 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.62 1iqf n GLN 192 Cb 0.00 -2.25 0.00 0.00 2.41 0.00 0.00 30.24 30.40 1iqf n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1iqf n GLY 193 N 1.01 2.87 0.23 1.69 0.00 -1.26 -1.07 105.19 108.66 1iqf n GLY 193 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.22 1iqf n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1iqf h ASP 194 N 0.00 0.00 -1.70 1.61 3.45 -1.65 -3.32 116.42 114.80 1iqf h ASP 194 Ca 0.00 0.00 -0.63 0.00 0.43 0.00 0.00 57.03 56.83 1iqf h ASP 194 Cb 0.00 0.00 0.15 0.00 -0.56 0.00 0.00 39.33 38.92 1iqf h ASP 194 CO 0.00 0.21 -0.81 -1.20 -1.57 0.00 0.00 179.24 175.87 1iqf n SER 195 N -3.41 -2.36 0.00 6.45 7.64 -1.26 -0.86 113.62 119.82 1iqf n SER 195 Ca -0.00 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.74 1iqf n SER 195 Cb 0.40 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1iqf n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iqf n GLY 196 N 2.21 3.09 3.27 0.23 0.00 -0.52 0.30 105.19 113.77 1iqf n GLY 196 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1iqf n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqf n GLY 197 N -1.93 -2.50 3.66 -0.02 0.00 -0.04 -3.02 105.19 101.34 1iqf n GLY 197 Ca 0.00 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 1iqf n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iqf s PRO 198 N -3.36 4.13 -0.36 1.61 0.04 -1.26 -2.44 135.00 133.37 1iqf s PRO 198 Ca 0.55 0.14 -0.12 0.00 0.04 0.00 0.00 61.00 61.60 1iqf s PRO 198 Cb -0.11 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1iqf s PRO 198 CO 0.66 -0.08 0.23 -1.58 0.04 0.00 0.00 177.00 176.27 1iqf s HIS 199 N 1.46 3.22 0.14 0.56 2.46 0.02 -3.49 115.29 119.67 1iqf s HIS 199 Ca 0.17 -0.52 0.09 0.00 0.47 0.00 0.00 55.06 55.28 1iqf s HIS 199 Cb -0.15 -2.47 -0.04 0.00 -0.13 0.00 0.00 32.58 29.79 1iqf s HIS 199 CO 0.08 -0.49 -0.17 0.14 -2.47 0.00 0.00 174.74 171.83 1iqf s VAL 200 N 1.66 2.85 -0.05 0.89 -7.23 0.26 -1.71 120.40 117.07 1iqf s VAL 200 Ca 0.05 -1.60 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 1iqf s VAL 200 Cb -0.18 -2.34 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 1iqf s VAL 200 CO 0.09 0.03 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.87 1iqf s THR 201 N -1.33 3.03 -0.12 5.32 2.01 -0.26 0.17 115.64 124.45 1iqf s THR 201 Ca 0.20 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.42 1iqf s THR 201 Cb -0.10 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 1iqf s THR 201 CO 0.11 0.59 0.02 -0.60 -0.69 0.00 0.00 174.62 174.06 1iqf s ARG 202 N -0.71 3.39 -0.26 4.92 3.00 -1.26 -1.11 118.95 126.92 1iqf s ARG 202 Ca 0.11 -0.38 -0.02 0.00 -1.00 0.00 0.00 55.73 54.44 1iqf s ARG 202 Cb -0.11 -2.96 0.12 0.00 0.00 0.00 0.00 34.95 32.01 1iqf s ARG 202 CO 0.00 0.53 0.29 0.12 0.00 0.00 0.00 175.30 176.25 1iqf s PHE 203 N -0.38 -0.49 -0.87 5.12 5.36 -0.65 -4.92 117.98 121.16 1iqf s PHE 203 Ca 0.08 0.11 -0.01 0.00 -0.96 0.00 0.00 56.93 56.16 1iqf s PHE 203 Cb -0.12 -0.35 0.00 0.00 -0.34 0.00 0.00 43.02 42.21 1iqf s PHE 203 CO 0.02 -0.80 0.73 1.63 -1.46 0.00 0.00 175.22 175.33 1iqf n LYS 204 N 5.32 -4.82 -3.64 10.12 5.02 -1.26 -3.68 118.16 125.22 1iqf n LYS 204 Ca -0.03 0.60 -0.21 0.00 -2.02 0.00 0.00 58.31 56.65 1iqf n LYS 204 Cb 0.48 -4.90 0.05 0.00 -0.02 0.00 0.00 35.03 30.64 1iqf n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1iqf n ASP 205 N -2.44 -2.40 -3.67 4.39 8.00 -1.26 -5.00 116.55 114.17 1iqf n ASP 205 Ca -0.19 -0.73 -0.14 0.00 0.71 0.00 0.00 54.79 54.45 1iqf n ASP 205 Cb 0.61 -4.44 -0.08 0.00 -0.02 0.00 0.00 41.12 37.19 1iqf n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1iqf s THR 206 N -3.50 -0.00 -0.06 -3.53 2.01 -1.24 -5.17 115.64 104.14 1iqf s THR 206 Ca 0.15 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.16 1iqf s THR 206 Cb -0.07 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 1iqf s THR 206 CO 0.78 0.00 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.33 1iqf s TYR 207 N 0.36 2.91 0.02 4.92 1.51 -1.26 -1.63 117.35 124.17 1iqf s TYR 207 Ca -0.00 0.00 0.07 0.00 -1.01 0.00 0.00 57.07 56.13 1iqf s TYR 207 Cb -0.04 -1.70 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1iqf s TYR 207 CO 0.00 0.32 -0.20 -0.06 -1.11 0.00 0.00 175.55 174.50 1iqf s PHE 208 N -0.81 2.51 -0.86 2.71 0.08 -0.27 -2.20 117.98 119.14 1iqf s PHE 208 Ca 0.12 -0.29 -0.25 0.00 0.12 0.00 0.00 56.93 56.63 1iqf s PHE 208 Cb -0.11 -1.48 0.04 0.00 -0.57 0.00 0.00 43.02 40.90 1iqf s PHE 208 CO 0.01 0.18 1.35 0.08 -0.10 0.00 0.00 175.22 176.74 1iqf s VAL 209 N -0.83 3.82 0.01 -0.44 1.01 0.34 -1.10 120.40 123.21 1iqf s VAL 209 Ca 0.13 -0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.10 1iqf s VAL 209 Cb -0.10 -4.97 -0.23 0.00 0.00 0.00 0.00 36.38 31.07 1iqf s VAL 209 CO 0.03 -1.89 0.85 0.71 0.00 0.00 0.00 175.10 174.80 1iqf h THR 210 N 6.35 1.11 -3.24 3.92 1.35 -1.66 -3.43 112.91 117.31 1iqf h THR 210 Ca -0.07 -2.91 -0.01 0.00 -0.55 0.00 0.00 66.41 62.87 1iqf h THR 210 Cb 1.03 2.56 -0.05 0.00 -1.73 0.00 0.00 68.15 69.97 1iqf h THR 210 CO 1.34 0.65 0.13 -0.83 -0.25 0.00 0.00 175.52 176.56 1iqf s GLY 211 N -4.99 0.28 0.08 5.82 0.00 -0.72 -1.46 107.32 106.33 1iqf s GLY 211 Ca -0.04 -0.64 0.07 0.00 0.00 0.00 0.00 44.72 44.12 1iqf s GLY 211 CO 0.82 -0.34 -0.15 -0.42 0.00 0.00 0.00 173.10 173.02 1iqf s ILE 212 N -3.50 3.06 -0.48 0.90 1.01 -0.89 -0.80 121.20 120.51 1iqf s ILE 212 Ca 0.16 -1.25 -0.28 0.00 0.00 0.00 0.00 60.65 59.28 1iqf s ILE 212 Cb -0.04 -2.37 0.01 0.00 0.01 0.00 0.00 42.46 40.07 1iqf s ILE 212 CO 0.10 0.21 1.48 -0.69 0.00 0.00 0.00 174.94 176.03 1iqf s VAL 213 N -1.08 3.78 0.00 2.92 1.01 -1.02 -0.31 120.40 125.71 1iqf s VAL 213 Ca 0.18 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1iqf s VAL 213 Cb -0.11 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1iqf s VAL 213 CO 0.09 -0.90 0.00 -0.24 0.00 0.00 0.00 175.10 174.05 1iqf n SER 214 N 9.52 0.00 -2.45 3.32 2.88 -1.09 -1.44 113.62 124.36 1iqf n SER 214 Ca 0.16 0.07 -0.06 0.00 -1.33 0.00 0.00 58.87 57.70 1iqf n SER 214 Cb 0.49 -0.32 0.02 0.00 -0.75 0.00 0.00 64.21 63.65 1iqf n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1iqf n TRP 215 N -2.00 -1.95 -3.80 0.66 4.27 0.14 -4.89 117.44 109.87 1iqf n TRP 215 Ca 0.00 -1.38 -0.01 0.00 -3.89 0.00 0.00 57.50 52.22 1iqf n TRP 215 Cb 0.00 0.69 0.00 0.00 -1.36 0.00 0.00 31.31 30.64 1iqf n TRP 215 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 1iqf s GLY 216 N -2.68 -0.14 -0.79 -1.67 0.00 -1.26 0.16 107.32 100.94 1iqf s GLY 216 Ca 0.13 0.10 -0.04 0.00 0.00 0.00 0.00 44.72 44.91 1iqf s GLY 216 CO 0.09 1.80 0.65 -0.54 0.00 0.00 0.00 173.10 175.10 1iqf s GLU 217 N -2.48 3.07 0.27 2.90 2.02 -1.26 -4.96 118.70 118.27 1iqf s GLU 217 Ca 0.19 -2.87 0.00 0.00 0.02 0.00 0.00 54.97 52.31 1iqf s GLU 217 Cb -0.00 -3.95 0.00 0.00 0.10 0.00 0.00 34.13 30.28 1iqf s GLU 217 CO 0.01 -1.23 0.00 0.41 0.02 0.00 0.00 175.26 174.47 1iqf n GLY 218 N 3.02 0.24 2.98 -1.39 0.00 -1.26 -4.74 105.19 104.05 1iqf n GLY 218 Ca 0.15 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.32 1iqf n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqf n ALA 221 N 4.85 -0.94 -1.64 0.00 0.00 -1.26 -4.64 120.51 116.88 1iqf n ALA 221 Ca -0.15 0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.10 1iqf n ALA 221 Cb 0.51 -2.53 0.02 0.00 0.00 0.00 0.00 19.45 17.45 1iqf n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1iqf s ARG 222 N -5.60 3.20 0.47 0.00 0.52 -1.26 -4.57 118.95 111.71 1iqf s ARG 222 Ca 0.24 1.12 -0.21 0.00 -0.52 0.00 0.00 55.73 56.35 1iqf s ARG 222 Cb -0.12 -2.02 -0.08 0.00 0.52 0.00 0.00 34.95 33.25 1iqf s ARG 222 CO 0.29 -0.90 1.05 0.15 0.02 0.00 0.00 175.30 175.91 1iqf s LYS 223 N -4.40 3.86 -0.83 3.54 1.02 -1.26 -3.11 119.74 118.56 1iqf s LYS 223 Ca 0.62 1.42 0.00 0.00 0.02 0.00 0.00 55.97 58.03 1iqf s LYS 223 Cb -0.15 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 1iqf s LYS 223 CO 0.43 -0.39 0.00 0.41 -0.92 0.00 0.00 175.35 174.88 1iqf n GLY 223 N -0.07 0.74 3.14 -3.33 0.00 0.36 -4.91 105.19 101.12 1iqf n GLY 223 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 1iqf n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqf s LYS 224 N -2.40 0.75 0.10 1.61 -0.14 -1.18 -4.67 119.74 113.80 1iqf s LYS 224 Ca 0.00 -0.88 0.00 0.00 -1.36 0.00 0.00 55.97 53.74 1iqf s LYS 224 Cb 0.00 -0.69 -0.00 0.00 -1.68 0.00 0.00 37.83 35.46 1iqf s LYS 224 CO 0.00 0.15 0.02 0.66 -0.76 0.00 0.00 175.35 175.42 1iqf n TYR 225 N 1.40 0.16 -3.66 3.18 4.01 -1.26 -4.54 117.16 116.45 1iqf n TYR 225 Ca -0.21 -0.57 -0.37 0.00 -0.16 0.00 0.00 57.90 56.58 1iqf n TYR 225 Cb 0.54 -0.04 -0.11 0.00 -0.31 0.00 0.00 39.34 39.42 1iqf n TYR 225 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1iqf s GLY 226 N -1.60 1.89 -0.38 2.72 0.00 -1.14 -4.22 107.32 104.59 1iqf s GLY 226 Ca 0.02 -1.07 -0.19 0.00 0.00 0.00 0.00 44.72 43.48 1iqf s GLY 226 CO 0.02 0.57 0.58 -0.42 0.00 0.00 0.00 173.10 173.85 1iqf s ILE 227 N 1.61 4.94 0.51 0.90 -1.09 0.42 -1.73 121.20 126.76 1iqf s ILE 227 Ca 0.07 0.29 0.09 0.00 -2.23 0.00 0.00 60.65 58.87 1iqf s ILE 227 Cb -0.15 -4.06 0.05 0.00 -1.58 0.00 0.00 42.46 36.71 1iqf s ILE 227 CO 0.08 -0.36 0.64 -0.31 -1.23 0.00 0.00 174.94 173.76 1iqf s TYR 228 N 2.57 2.02 -0.26 3.97 1.51 0.59 0.24 117.35 128.00 1iqf s TYR 228 Ca 0.21 -0.61 -0.11 0.00 -1.01 0.00 0.00 57.07 55.55 1iqf s TYR 228 Cb -0.15 -2.23 -0.05 0.00 -0.11 0.00 0.00 41.96 39.42 1iqf s TYR 228 CO 0.15 -0.75 0.17 0.99 -1.11 0.00 0.00 175.55 175.00 1iqf s THR 229 N -2.55 5.33 -0.64 -0.71 2.01 0.58 -2.13 115.64 117.52 1iqf s THR 229 Ca 0.56 0.17 -0.26 0.00 0.31 0.00 0.00 61.69 62.47 1iqf s THR 229 Cb -0.07 -3.50 -0.06 0.00 0.01 0.00 0.00 72.50 68.88 1iqf s THR 229 CO 0.34 0.31 2.12 -0.75 -0.69 0.00 0.00 174.62 175.96 1iqf s LYS 230 N 1.33 2.31 0.14 4.92 2.20 0.86 -2.09 119.74 129.41 1iqf s LYS 230 Ca 0.07 0.72 -0.18 0.00 -0.36 0.00 0.00 55.97 56.22 1iqf s LYS 230 Cb -0.14 -4.61 0.02 0.00 -1.51 0.00 0.00 37.83 31.59 1iqf s LYS 230 CO 0.07 -3.24 1.74 0.28 -0.36 0.00 0.00 175.35 173.84 1iqf h VAL 231 N 7.31 0.87 0.00 4.02 2.07 -1.57 -1.41 116.25 127.55 1iqf h VAL 231 Ca -0.17 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1iqf h VAL 231 Cb 1.15 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1iqf h VAL 231 CO 1.17 0.03 0.05 0.35 0.02 0.00 0.00 177.57 179.20 1iqf n THR 232 N -5.08 1.57 0.89 2.57 -2.24 -1.25 -0.35 114.28 110.39 1iqf n THR 232 Ca -0.00 0.45 0.06 0.00 -2.27 0.00 0.00 64.05 62.28 1iqf n THR 232 Cb 0.12 -1.45 0.18 0.00 -2.10 0.00 0.00 70.33 67.08 1iqf n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iqf n ALA 233 N -1.39 2.45 -1.36 6.98 0.00 -0.53 -3.95 120.51 122.72 1iqf n ALA 233 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1iqf n ALA 233 Cb 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1iqf n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1iqf n PHE 234 N 0.53 0.00 0.00 0.00 3.72 0.52 -4.99 117.46 117.25 1iqf n PHE 234 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1iqf n PHE 234 Cb 0.30 0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1iqf n PHE 234 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1iqf n LEU 235 N 0.00 0.00 0.13 4.37 4.32 -1.11 0.60 117.00 125.30 1iqf n LEU 235 Ca 0.00 0.63 0.13 0.00 -0.02 0.00 0.00 56.01 56.75 1iqf n LEU 235 Cb 0.38 -0.15 0.30 0.00 -1.62 0.00 0.00 43.42 42.33 1iqf n LEU 235 CO 0.00 -0.15 1.12 0.11 -1.22 0.00 0.00 177.39 177.25 1iqf h LYS 236 N 0.00 0.00 0.02 3.23 1.57 -1.93 0.83 116.57 120.30 1iqf h LYS 236 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1iqf h LYS 236 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1iqf h LYS 236 CO 0.00 0.00 -0.01 2.35 -0.57 0.00 0.00 179.45 181.22 1iqf h TRP 237 N 0.00 -0.03 -0.94 -1.35 7.01 -0.22 -2.36 115.95 118.06 1iqf h TRP 237 Ca 0.18 -0.00 0.18 0.00 2.11 0.00 0.00 58.89 61.36 1iqf h TRP 237 Cb 2.11 0.01 -0.08 0.00 -2.10 0.00 0.00 29.16 29.09 1iqf h TRP 237 CO 0.00 0.71 0.60 0.82 -2.79 0.00 0.00 178.44 177.78 1iqf h ILE 238 N -0.86 0.75 0.32 2.65 2.04 0.26 0.16 117.51 122.83 1iqf h ILE 238 Ca -0.00 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1iqf h ILE 238 Cb 0.75 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1iqf h ILE 238 CO 0.00 0.12 -0.15 0.44 0.00 0.00 0.00 178.15 178.56 1iqf h ASP 239 N 0.64 -0.37 -1.69 1.72 3.32 -1.44 0.22 116.42 118.83 1iqf h ASP 239 Ca 0.50 -0.14 0.50 0.00 0.02 0.00 0.00 57.03 57.91 1iqf h ASP 239 Cb 0.92 0.09 -0.09 0.00 0.22 0.00 0.00 39.33 40.47 1iqf h ASP 239 CO -0.25 0.10 1.19 -0.09 -1.72 0.00 0.00 179.24 178.46 1iqf h ARG 240 N -0.99 0.02 0.07 3.56 2.43 -0.76 1.02 114.38 119.72 1iqf h ARG 240 Ca -0.04 -0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.98 1iqf h ARG 240 Cb 0.49 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1iqf h ARG 240 CO 0.07 0.01 -0.60 0.77 -1.51 0.00 0.00 179.97 178.71 1iqf h SER 241 N 0.02 0.42 -0.10 -3.80 0.02 -0.34 -2.49 113.55 107.27 1iqf h SER 241 Ca 0.85 -0.87 0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1iqf h SER 241 Cb 3.23 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 65.64 1iqf h SER 241 CO -0.11 1.25 0.23 0.24 -1.14 0.00 0.00 176.83 177.30 1iqf h MET 242 N -0.36 0.00 -0.01 3.45 2.86 0.31 3.00 114.93 124.19 1iqf h MET 242 Ca -0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1iqf h MET 242 Cb 1.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.06 1iqf h MET 242 CO 0.12 0.00 -0.39 1.63 1.06 0.00 0.00 176.91 179.32 1iqf n LYS 243 N -3.33 0.98 -1.06 1.72 4.76 -0.43 -5.05 118.16 115.76 1iqf n LYS 243 Ca -0.00 -0.72 0.00 0.00 -2.87 0.00 0.00 58.31 54.72 1iqf n LYS 243 Cb 0.32 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.03 1iqf n LYS 243 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1iqf n THR 244 N -0.38 -5.83 0.00 -0.18 -1.04 1.00 -5.08 114.28 102.77 1iqf n THR 244 Ca 0.10 1.37 0.00 0.00 -2.04 0.00 0.00 64.05 63.48 1iqf n THR 244 Cb 0.41 -3.10 0.00 0.00 -1.82 0.00 0.00 70.33 65.82 1iqf n THR 244 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29