#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqi s VAL 17 N 0.00 3.19 0.00 1.39 1.01 -1.13 -4.52 120.40 120.34 1iqi s VAL 17 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.06 1iqi s VAL 17 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1iqi s VAL 17 CO 0.00 0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.92 1iqi n GLY 18 N 1.64 2.67 7.00 4.51 0.00 -1.23 -2.79 105.19 116.99 1iqi n GLY 18 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1iqi n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqi n GLY 19 N 0.00 -0.94 0.00 -0.02 0.00 -1.26 -4.96 105.19 98.00 1iqi n GLY 19 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1iqi n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1iqi n GLN 20 N -1.12 2.86 -4.94 1.61 1.13 0.62 -4.99 117.38 112.55 1iqi n GLN 20 Ca 0.00 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.73 1iqi n GLN 20 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.20 1iqi n GLN 20 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1iqi s GLU 21 N -0.18 2.92 -0.13 -1.09 2.12 -1.26 -3.13 118.70 117.95 1iqi s GLU 21 Ca 0.00 -0.75 -0.29 0.00 0.36 0.00 0.00 54.97 54.29 1iqi s GLU 21 Cb 0.00 -2.44 -0.04 0.00 0.26 0.00 0.00 34.13 31.92 1iqi s GLU 21 CO 0.00 0.37 1.53 0.00 -0.54 0.00 0.00 175.26 176.62 1iqi s LYS 23 N 4.05 3.12 -0.38 0.00 -0.14 -1.26 -4.87 119.74 120.26 1iqi s LYS 23 Ca 0.67 -0.00 -0.34 0.00 -1.36 0.00 0.00 55.97 54.94 1iqi s LYS 23 Cb -0.28 -2.34 -0.15 0.00 -1.68 0.00 0.00 37.83 33.39 1iqi s LYS 23 CO 0.25 -0.51 1.36 -3.47 -0.76 0.00 0.00 175.35 172.22 1iqi n ASP 24 N -2.43 0.78 -2.14 2.83 4.64 -1.26 0.85 116.55 119.82 1iqi n ASP 24 Ca 0.03 0.75 -0.19 0.00 -1.38 0.00 0.00 54.79 54.00 1iqi n ASP 24 Cb 0.57 -0.67 -0.03 0.00 -1.04 0.00 0.00 41.12 39.95 1iqi n ASP 24 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1iqi n GLY 25 N 4.01 0.22 0.11 0.27 0.00 -1.26 -4.87 105.19 103.67 1iqi n GLY 25 Ca 0.30 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.17 1iqi n GLY 25 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1iqi n GLU 26 N -2.74 0.70 -2.73 1.61 2.13 0.25 -4.41 120.64 115.45 1iqi n GLU 26 Ca -0.21 0.28 -0.25 0.00 0.66 0.00 0.00 57.16 57.64 1iqi n GLU 26 Cb 0.65 -1.75 -0.01 0.00 0.27 0.00 0.00 31.44 30.60 1iqi n GLU 26 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iqi n PRO 28 N -0.30 0.04 0.00 0.00 -0.04 -1.26 -2.34 135.00 131.10 1iqi n PRO 28 Ca 0.32 0.50 0.11 0.00 -0.04 0.00 0.00 63.50 64.40 1iqi n PRO 28 Cb 0.57 -1.72 0.04 0.00 -0.04 0.00 0.00 33.50 32.36 1iqi n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1iqi n TRP 29 N -1.70 0.00 -1.00 0.54 2.14 -1.22 -1.73 117.44 114.47 1iqi n TRP 29 Ca -0.00 0.00 -0.33 0.00 2.07 0.00 0.00 57.50 59.24 1iqi n TRP 29 Cb 0.08 -0.01 0.13 0.00 -0.81 0.00 0.00 31.31 30.70 1iqi n TRP 29 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 1iqi n GLN 30 N -0.11 0.01 -3.58 -2.67 -0.06 -0.99 -0.97 117.38 109.01 1iqi n GLN 30 Ca 0.10 0.08 -0.13 0.00 -2.00 0.00 0.00 57.00 55.04 1iqi n GLN 30 Cb 0.45 -2.37 -0.05 0.00 -4.06 0.00 0.00 30.24 24.21 1iqi n GLN 30 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1iqi s ALA 31 N -2.24 -1.27 -0.05 1.69 0.00 -1.08 -4.67 121.76 114.14 1iqi s ALA 31 Ca 0.71 0.51 0.01 0.00 0.00 0.00 0.00 51.96 53.18 1iqi s ALA 31 Cb -0.28 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.29 1iqi s ALA 31 CO 0.54 -0.52 -0.03 -1.17 0.00 0.00 0.00 175.76 174.57 1iqi s LEU 32 N -2.07 1.21 -0.30 0.00 2.96 -0.71 -1.91 118.68 117.85 1iqi s LEU 32 Ca -0.04 -0.12 -0.18 0.00 -0.22 0.00 0.00 54.13 53.57 1iqi s LEU 32 Cb -0.01 -0.43 -0.02 0.00 0.50 0.00 0.00 46.19 46.24 1iqi s LEU 32 CO -0.03 -0.08 0.53 -0.76 -1.32 0.00 0.00 176.35 174.69 1iqi s LEU 33 N 1.09 4.17 -0.08 -0.68 1.43 -0.90 0.24 118.68 123.96 1iqi s LEU 33 Ca -0.08 0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1iqi s LEU 33 Cb -0.14 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 1iqi s LEU 33 CO -0.01 -0.39 -0.01 0.27 0.23 0.00 0.00 176.35 176.44 1iqi s ILE 34 N 2.39 4.20 0.60 -0.59 -4.36 0.15 -0.39 121.20 123.20 1iqi s ILE 34 Ca 0.21 -0.31 -0.10 0.00 -0.26 0.00 0.00 60.65 60.18 1iqi s ILE 34 Cb -0.15 -2.77 0.14 0.00 1.25 0.00 0.00 42.46 40.93 1iqi s ILE 34 CO 0.11 0.59 0.72 -0.46 0.24 0.00 0.00 174.94 176.14 1iqi n ASN 35 N 2.09 -0.43 0.14 4.36 0.23 0.27 -1.29 115.26 120.63 1iqi n ASN 35 Ca -0.18 -1.16 0.00 0.00 -0.53 0.00 0.00 54.58 52.71 1iqi n ASN 35 Cb 0.53 -0.58 0.27 0.00 -2.08 0.00 0.00 39.78 37.93 1iqi n ASN 35 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1iqi h GLU 36 N 0.00 0.08 -0.06 -3.83 9.09 -1.88 -0.41 114.58 117.58 1iqi h GLU 36 Ca -0.24 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.13 1iqi h GLU 36 Cb 0.69 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.79 1iqi h GLU 36 CO 0.17 0.50 0.00 0.39 0.05 0.00 0.00 179.01 180.12 1iqi n GLU 37 N -4.01 0.84 -2.18 1.06 4.71 -1.26 -4.82 120.64 114.99 1iqi n GLU 37 Ca -0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.00 1iqi n GLU 37 Cb 0.47 -1.03 -0.01 0.00 -1.01 0.00 0.00 31.44 29.86 1iqi n GLU 37 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1iqi n ASN 38 N -0.46 -4.18 -4.73 1.62 4.05 -0.16 -5.02 115.26 106.39 1iqi n ASN 38 Ca 0.00 0.02 -0.35 0.00 0.45 0.00 0.00 54.58 54.69 1iqi n ASN 38 Cb 0.02 -3.32 -0.08 0.00 1.23 0.00 0.00 39.78 37.62 1iqi n ASN 38 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1iqi s GLU 39 N -4.53 3.70 -0.36 1.20 2.02 -1.24 -4.76 118.70 114.73 1iqi s GLU 39 Ca 0.00 -0.27 -0.29 0.00 0.02 0.00 0.00 54.97 54.43 1iqi s GLU 39 Cb 0.00 -3.17 0.01 0.00 0.10 0.00 0.00 34.13 31.07 1iqi s GLU 39 CO 0.00 0.49 1.23 0.20 0.02 0.00 0.00 175.26 177.19 1iqi s GLY 40 N -0.22 1.36 -0.26 -1.39 0.00 -1.26 0.94 107.32 106.49 1iqi s GLY 40 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.70 1iqi s GLY 40 CO 0.01 2.50 -0.24 1.97 0.00 0.00 0.00 173.10 177.34 1iqi n PHE 41 N 7.67 0.02 -4.13 1.90 1.16 0.48 -4.96 117.46 119.60 1iqi n PHE 41 Ca 0.14 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.66 1iqi n PHE 41 Cb 0.47 -1.00 -0.01 0.00 -1.61 0.00 0.00 39.48 37.33 1iqi n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1iqi n GLY 43 N 2.56 3.67 3.90 0.00 0.00 0.20 -2.11 105.19 113.41 1iqi n GLY 43 Ca -0.03 -2.25 -0.03 0.00 0.00 0.00 0.00 46.02 43.71 1iqi n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iqi s GLY 44 N -2.93 0.13 -0.04 -0.02 0.00 -0.80 -3.74 107.32 99.92 1iqi s GLY 44 Ca 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 44.72 44.39 1iqi s GLY 44 CO 0.03 2.77 0.08 -1.59 0.00 0.00 0.00 173.10 174.39 1iqi s THR 45 N -2.10 -0.07 -0.21 0.90 2.01 -0.07 -2.63 115.64 113.47 1iqi s THR 45 Ca 0.23 0.24 -0.29 0.00 0.31 0.00 0.00 61.69 62.17 1iqi s THR 45 Cb -0.03 -0.15 -0.01 0.00 0.01 0.00 0.00 72.50 72.32 1iqi s THR 45 CO 0.05 0.10 1.25 -0.63 -0.69 0.00 0.00 174.62 174.70 1iqi s ILE 46 N 1.30 4.28 -0.17 1.82 1.01 -0.14 -0.71 121.20 128.59 1iqi s ILE 46 Ca -0.07 1.52 0.14 0.00 0.00 0.00 0.00 60.65 62.25 1iqi s ILE 46 Cb -0.12 -4.08 -0.24 0.00 0.01 0.00 0.00 42.46 38.03 1iqi s ILE 46 CO -0.04 -0.24 0.19 0.18 0.00 0.00 0.00 174.94 175.03 1iqi n LEU 47 N 6.87 0.59 0.00 2.97 4.77 -1.10 -0.43 117.00 130.68 1iqi n LEU 47 Ca 0.14 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1iqi n LEU 47 Cb 0.45 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1iqi n LEU 47 CO 0.58 0.53 0.00 -1.54 -1.33 0.00 0.00 177.39 175.62 1iqi n SER 48 N -2.90 0.00 0.16 -1.43 3.41 -1.21 -4.60 113.62 107.04 1iqi n SER 48 Ca -0.30 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.41 1iqi n SER 48 Cb 1.11 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 65.14 1iqi n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1iqi h GLU 49 N 0.00 0.00 0.00 4.33 4.11 -1.97 -3.38 114.58 117.67 1iqi h GLU 49 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 1iqi h GLU 49 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1iqi h GLU 49 CO 0.00 0.05 -1.52 1.19 0.07 0.00 0.00 179.01 178.80 1iqi n PHE 50 N -2.92 0.00 -4.43 2.06 3.72 -1.26 0.17 117.46 114.80 1iqi n PHE 50 Ca 0.01 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.07 1iqi n PHE 50 Cb 0.57 -0.36 -0.10 0.00 -0.94 0.00 0.00 39.48 38.65 1iqi n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1iqi s TYR 51 N -2.30 3.11 0.09 1.38 2.02 -1.26 0.14 117.35 120.53 1iqi s TYR 51 Ca -0.04 0.15 0.10 0.00 -0.37 0.00 0.00 57.07 56.91 1iqi s TYR 51 Cb 0.03 -1.76 -0.03 0.00 -0.40 0.00 0.00 41.96 39.79 1iqi s TYR 51 CO 0.34 0.44 -0.26 0.42 -1.57 0.00 0.00 175.55 174.92 1iqi s ILE 52 N -0.88 2.17 -0.21 2.71 -1.09 0.13 -2.71 121.20 121.32 1iqi s ILE 52 Ca 0.13 -1.56 -0.04 0.00 -2.23 0.00 0.00 60.65 56.95 1iqi s ILE 52 Cb -0.11 -1.89 -0.01 0.00 -1.58 0.00 0.00 42.46 38.87 1iqi s ILE 52 CO 0.02 0.22 -0.03 -0.22 -1.23 0.00 0.00 174.94 173.70 1iqi s LEU 53 N -1.64 2.98 0.35 2.97 2.96 0.11 -0.54 118.68 125.88 1iqi s LEU 53 Ca 0.12 -0.34 0.07 0.00 -0.22 0.00 0.00 54.13 53.76 1iqi s LEU 53 Cb -0.10 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1iqi s LEU 53 CO 0.04 0.01 0.25 0.28 -1.32 0.00 0.00 176.35 175.61 1iqi s THR 54 N 1.30 0.13 0.17 3.68 -1.32 -0.36 -0.89 115.64 118.35 1iqi s THR 54 Ca 0.04 -2.00 -0.29 0.00 -1.21 0.00 0.00 61.69 58.22 1iqi s THR 54 Cb -0.14 -2.45 -0.07 0.00 -1.51 0.00 0.00 72.50 68.32 1iqi s THR 54 CO -0.01 0.00 0.93 0.00 -2.21 0.00 0.00 174.62 173.33 1iqi s ALA 55 N -3.38 3.31 -1.17 11.08 0.00 -1.26 -1.10 121.76 129.25 1iqi s ALA 55 Ca 0.36 0.57 0.09 0.00 0.00 0.00 0.00 51.96 52.99 1iqi s ALA 55 Cb 0.02 -3.21 0.43 0.00 0.00 0.00 0.00 23.12 20.36 1iqi s ALA 55 CO 0.25 0.11 1.26 0.00 0.00 0.00 0.00 175.76 177.37 1iqi n ALA 56 N 2.10 1.50 -0.09 0.00 0.00 -1.26 -2.38 120.51 120.38 1iqi n ALA 56 Ca -0.00 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.51 1iqi n ALA 56 Cb 0.48 -1.15 0.26 0.00 0.00 0.00 0.00 19.45 19.04 1iqi n ALA 56 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1iqi n HIS 57 N -1.42 0.73 1.03 0.00 1.44 -1.26 -4.16 115.22 111.59 1iqi n HIS 57 Ca 0.03 -0.40 0.12 0.00 -2.01 0.00 0.00 57.72 55.46 1iqi n HIS 57 Cb 0.10 -0.00 0.15 0.00 0.12 0.00 0.00 29.99 30.36 1iqi n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1iqi n LEU 59 N -1.33 6.02 0.00 0.00 4.77 -1.26 -3.19 117.00 122.01 1iqi n LEU 59 Ca 0.06 -2.99 0.00 0.00 -0.03 0.00 0.00 56.01 53.05 1iqi n LEU 59 Cb 0.34 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1iqi n LEU 59 CO 0.36 1.13 0.00 -1.22 -1.33 0.00 0.00 177.39 176.33 1iqi n TYR 60 N 0.60 0.00 0.91 -1.77 4.01 -1.26 -4.85 117.16 114.81 1iqi n TYR 60 Ca 0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 1iqi n TYR 60 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 1iqi n TYR 60 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1iqi n GLN 61 N -0.36 0.91 -3.69 -0.72 3.00 -1.19 -4.82 117.38 110.51 1iqi n GLN 61 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1iqi n GLN 61 Cb 0.00 -1.41 -0.01 0.00 0.00 0.00 0.00 30.24 28.82 1iqi n GLN 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1iqi s ALA 61 N -0.87 -1.95 -0.22 -1.58 0.00 -1.26 -5.01 121.76 110.86 1iqi s ALA 61 Ca 0.00 0.41 -0.09 0.00 0.00 0.00 0.00 51.96 52.28 1iqi s ALA 61 Cb 0.00 0.50 -0.10 0.00 0.00 0.00 0.00 23.12 23.52 1iqi s ALA 61 CO 0.00 -1.05 -0.27 1.17 0.00 0.00 0.00 175.76 175.61 1iqi n LYS 62 N -0.48 0.47 -3.73 0.00 4.81 -1.26 -4.96 118.16 113.00 1iqi n LYS 62 Ca -0.07 0.19 -0.21 0.00 -0.87 0.00 0.00 58.31 57.34 1iqi n LYS 62 Cb 0.62 -1.29 -0.18 0.00 0.02 0.00 0.00 35.03 34.20 1iqi n LYS 62 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1iqi s ARG 63 N -2.40 0.29 0.23 1.64 3.00 -1.26 -5.12 118.95 115.32 1iqi s ARG 63 Ca -0.30 0.23 0.04 0.00 -1.00 0.00 0.00 55.73 54.70 1iqi s ARG 63 Cb 0.11 -0.75 -0.05 0.00 0.00 0.00 0.00 34.95 34.26 1iqi s ARG 63 CO 0.39 -0.31 -0.02 -0.59 0.00 0.00 0.00 175.30 174.77 1iqi s PHE 64 N 2.04 1.59 0.33 5.12 -0.71 -1.26 -3.31 117.98 121.78 1iqi s PHE 64 Ca 0.05 -0.87 0.04 0.00 -1.04 0.00 0.00 56.93 55.11 1iqi s PHE 64 Cb -0.12 -0.91 -0.07 0.00 -1.21 0.00 0.00 43.02 40.72 1iqi s PHE 64 CO -0.04 0.03 0.05 0.15 -1.34 0.00 0.00 175.22 174.06 1iqi s LYS 65 N -3.83 1.68 -0.18 1.99 1.02 -0.41 -4.54 119.74 115.46 1iqi s LYS 65 Ca 0.27 -1.93 0.01 0.00 0.02 0.00 0.00 55.97 54.34 1iqi s LYS 65 Cb 0.05 -0.96 0.03 0.00 -0.52 0.00 0.00 37.83 36.43 1iqi s LYS 65 CO 0.08 -0.16 -0.14 0.54 -0.92 0.00 0.00 175.35 174.75 1iqi s VAL 66 N -3.22 1.74 0.22 3.17 0.11 -0.95 -0.67 120.40 120.79 1iqi s VAL 66 Ca 0.36 -0.89 -0.12 0.00 -2.93 0.00 0.00 61.98 58.40 1iqi s VAL 66 Cb 0.09 -1.69 -0.07 0.00 -1.53 0.00 0.00 36.38 33.17 1iqi s VAL 66 CO 0.16 0.35 0.57 -0.60 -3.33 0.00 0.00 175.10 172.25 1iqi s ARG 67 N 1.39 3.88 -0.03 1.54 3.52 0.14 -1.64 118.95 127.75 1iqi s ARG 67 Ca 0.02 0.39 -0.07 0.00 -0.13 0.00 0.00 55.73 55.94 1iqi s ARG 67 Cb -0.14 -2.70 0.01 0.00 -1.56 0.00 0.00 34.95 30.55 1iqi s ARG 67 CO -0.10 0.34 0.15 0.14 -0.81 0.00 0.00 175.30 175.03 1iqi s VAL 68 N -1.74 0.05 0.00 7.11 -7.23 -0.48 -1.74 120.40 116.36 1iqi s VAL 68 Ca 0.46 -0.39 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 1iqi s VAL 68 Cb -0.12 -0.35 0.00 0.00 0.56 0.00 0.00 36.38 36.47 1iqi s VAL 68 CO 0.20 -0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1iqi n GLY 69 N 2.12 0.73 3.75 2.32 0.00 -1.23 -1.82 105.19 111.06 1iqi n GLY 69 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1iqi n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iqi s ASP 70 N -2.22 6.30 0.00 1.61 -1.08 -1.26 -3.99 116.67 116.03 1iqi s ASP 70 Ca 0.00 0.35 0.00 0.00 -0.52 0.00 0.00 52.55 52.38 1iqi s ASP 70 Cb 0.00 -2.12 0.00 0.00 -1.46 0.00 0.00 42.92 39.34 1iqi s ASP 70 CO 0.00 0.18 0.30 0.54 0.52 0.00 0.00 175.17 176.71 1iqi n ARG 71 N 3.36 1.99 -3.36 4.34 1.74 -1.26 -4.81 116.66 118.66 1iqi n ARG 71 Ca -0.15 -0.30 -0.10 0.00 -0.77 0.00 0.00 57.85 56.52 1iqi n ARG 71 Cb 0.52 -0.79 -0.08 0.00 -1.02 0.00 0.00 32.46 31.09 1iqi n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1iqi s ASN 72 N -0.37 0.46 -1.16 0.55 3.84 -1.26 -0.64 114.94 116.37 1iqi s ASN 72 Ca 0.00 0.01 -0.18 0.00 0.21 0.00 0.00 52.86 52.90 1iqi s ASN 72 Cb 0.00 1.01 0.10 0.00 -0.55 0.00 0.00 41.25 41.81 1iqi s ASN 72 CO 0.00 -0.32 1.51 0.42 -2.79 0.00 0.00 177.10 175.92 1iqi s THR 73 N 2.51 4.37 0.00 -5.21 -4.23 0.36 -3.67 115.64 109.77 1iqi s THR 73 Ca 0.11 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1iqi s THR 73 Cb -0.15 -5.04 0.00 0.00 1.34 0.00 0.00 72.50 68.65 1iqi s THR 73 CO -0.19 -1.84 0.00 -1.84 -0.54 0.00 0.00 174.62 170.21 1iqi n GLU 74 N 7.62 0.00 -3.67 3.99 0.28 -1.26 -4.81 120.64 122.79 1iqi n GLU 74 Ca 0.39 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 57.01 1iqi n GLU 74 Cb 0.47 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.25 1iqi n GLU 74 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1iqi s GLN 75 N 0.00 2.62 -0.84 3.44 -0.21 -1.24 -5.02 119.66 118.40 1iqi s GLN 75 Ca 0.00 -2.39 -0.12 0.00 0.02 0.00 0.00 55.36 52.86 1iqi s GLN 75 Cb 0.00 -3.81 -0.25 0.00 1.00 0.00 0.00 33.01 29.95 1iqi s GLN 75 CO 0.00 -1.18 2.08 -1.91 -2.12 0.00 0.00 175.29 172.16 1iqi n GLU 76 N 3.76 0.13 0.00 2.91 4.07 -1.26 -4.83 120.64 125.42 1iqi n GLU 76 Ca 0.06 -0.26 0.00 0.00 -0.06 0.00 0.00 57.16 56.90 1iqi n GLU 76 Cb 0.39 -1.72 0.00 0.00 -0.06 0.00 0.00 31.44 30.06 1iqi n GLU 76 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1iqi n GLU 77 N 6.22 0.00 0.00 5.31 1.02 -1.26 -4.99 120.64 126.94 1iqi n GLU 77 Ca 0.54 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 1iqi n GLU 77 Cb 0.26 -0.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 1iqi n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iqi n GLY 78 N -0.40 0.50 0.80 0.62 0.00 -1.26 -5.00 105.19 100.44 1iqi n GLY 78 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1iqi n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqi n GLY 79 N 0.00 1.84 3.76 -0.02 0.00 -1.26 -4.91 105.19 104.60 1iqi n GLY 79 Ca 0.00 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1iqi n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iqi s GLU 80 N -1.18 0.78 -0.30 1.61 8.01 -1.26 -4.40 118.70 121.96 1iqi s GLU 80 Ca 0.09 0.26 -0.17 0.00 0.01 0.00 0.00 54.97 55.16 1iqi s GLU 80 Cb 0.07 -1.80 0.18 0.00 -4.31 0.00 0.00 34.13 28.27 1iqi s GLU 80 CO 0.02 -2.44 1.15 0.00 0.01 0.00 0.00 175.26 174.01 1iqi s ALA 81 N -3.24 -2.71 -0.10 5.21 0.00 -0.75 -4.95 121.76 115.21 1iqi s ALA 81 Ca 0.65 2.01 -0.05 0.00 0.00 0.00 0.00 51.96 54.56 1iqi s ALA 81 Cb -0.14 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 1iqi s ALA 81 CO 0.54 -0.56 0.10 0.08 0.00 0.00 0.00 175.76 175.92 1iqi s VAL 82 N 1.55 5.17 0.11 0.00 1.01 -1.26 -1.38 120.40 125.59 1iqi s VAL 82 Ca -0.06 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.05 1iqi s VAL 82 Cb -0.03 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1iqi s VAL 82 CO -0.14 0.60 -0.17 -1.00 0.00 0.00 0.00 175.10 174.40 1iqi s HIS 83 N -1.01 1.53 -0.07 5.22 3.76 -0.65 -5.00 115.29 119.07 1iqi s HIS 83 Ca 0.15 -0.47 -0.03 0.00 -0.15 0.00 0.00 55.06 54.56 1iqi s HIS 83 Cb -0.12 -0.82 -0.04 0.00 1.11 0.00 0.00 32.58 32.71 1iqi s HIS 83 CO 0.04 0.16 0.10 -1.21 -0.85 0.00 0.00 174.74 172.98 1iqi s GLU 84 N -2.17 3.22 -0.11 1.40 2.02 -1.26 -2.23 118.70 119.57 1iqi s GLU 84 Ca 0.06 -0.32 -0.30 0.00 0.02 0.00 0.00 54.97 54.43 1iqi s GLU 84 Cb -0.08 -2.99 -0.02 0.00 0.10 0.00 0.00 34.13 31.14 1iqi s GLU 84 CO 0.04 0.71 1.23 0.08 0.02 0.00 0.00 175.26 177.34 1iqi s VAL 85 N -1.08 4.27 -0.10 2.63 1.01 -1.26 -1.20 120.40 124.68 1iqi s VAL 85 Ca 0.18 1.57 -0.13 0.00 0.00 0.00 0.00 61.98 63.60 1iqi s VAL 85 Cb -0.12 -4.01 -0.28 0.00 0.00 0.00 0.00 36.38 31.98 1iqi s VAL 85 CO 0.08 -0.07 0.53 -0.08 0.00 0.00 0.00 175.10 175.56 1iqi h GLU 86 N 7.80 0.28 -2.52 2.72 4.81 0.21 -3.45 114.58 124.43 1iqi h GLU 86 Ca -0.30 -0.48 -0.09 0.00 -0.13 0.00 0.00 59.36 58.35 1iqi h GLU 86 Cb 1.13 0.18 -0.20 0.00 0.63 0.00 0.00 28.75 30.49 1iqi h GLU 86 CO 0.92 1.23 -0.05 0.14 -0.73 0.00 0.00 179.01 180.52 1iqi s VAL 87 N -2.52 0.03 -0.09 0.32 -7.23 -1.12 -5.01 120.40 104.77 1iqi s VAL 87 Ca -0.20 -0.21 -0.00 0.00 -1.81 0.00 0.00 61.98 59.76 1iqi s VAL 87 Cb 0.05 -0.79 -0.03 0.00 0.56 0.00 0.00 36.38 36.17 1iqi s VAL 87 CO 0.78 -0.12 -0.06 0.68 -0.31 0.00 0.00 175.10 176.08 1iqi s VAL 88 N -1.07 3.75 -0.65 1.32 -7.23 -1.26 -1.61 120.40 113.65 1iqi s VAL 88 Ca -0.11 -0.45 0.04 0.00 -1.81 0.00 0.00 61.98 59.65 1iqi s VAL 88 Cb -0.03 -2.56 0.16 0.00 0.56 0.00 0.00 36.38 34.51 1iqi s VAL 88 CO 0.06 0.57 0.43 -0.63 -0.31 0.00 0.00 175.10 175.23 1iqi s ILE 89 N -0.49 2.96 0.40 -0.62 1.01 -0.24 -5.00 121.20 119.22 1iqi s ILE 89 Ca 0.07 -3.83 -0.18 0.00 0.00 0.00 0.00 60.65 56.71 1iqi s ILE 89 Cb -0.12 -2.97 -0.10 0.00 0.01 0.00 0.00 42.46 39.28 1iqi s ILE 89 CO 0.02 -0.93 0.87 -0.75 0.00 0.00 0.00 174.94 174.15 1iqi s LYS 90 N -0.96 4.11 0.19 2.79 2.20 -1.26 -1.43 119.74 125.39 1iqi s LYS 90 Ca 0.22 0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 56.46 1iqi s LYS 90 Cb -0.13 -2.27 -0.08 0.00 -1.51 0.00 0.00 37.83 33.84 1iqi s LYS 90 CO -0.10 0.02 1.06 -1.58 -0.36 0.00 0.00 175.35 174.39 1iqi s HIS 91 N -2.15 3.67 0.01 4.03 5.65 -1.17 -4.98 115.29 120.36 1iqi s HIS 91 Ca 0.59 1.69 -0.03 0.00 0.25 0.00 0.00 55.06 57.55 1iqi s HIS 91 Cb -0.10 -3.21 -0.01 0.00 -1.18 0.00 0.00 32.58 28.09 1iqi s HIS 91 CO 0.17 -0.34 1.05 -0.91 -0.65 0.00 0.00 174.74 174.06 1iqi h ASN 92 N 4.82 -0.17 0.00 9.88 4.21 -1.93 -2.84 115.58 129.54 1iqi h ASN 92 Ca -0.45 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.08 1iqi h ASN 92 Cb 1.21 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 1iqi h ASN 92 CO 0.71 -0.05 0.06 0.54 -1.29 0.00 0.00 177.43 177.40 1iqi n ARG 93 N -2.85 0.11 -1.29 0.81 5.12 -1.26 -4.85 116.66 112.45 1iqi n ARG 93 Ca -0.01 0.60 -0.37 0.00 -1.93 0.00 0.00 57.85 56.15 1iqi n ARG 93 Cb 0.04 -1.93 0.06 0.00 -1.16 0.00 0.00 32.46 29.46 1iqi n ARG 93 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1iqi n PHE 94 N -2.12 -0.96 -3.64 -1.55 7.35 -1.08 -4.83 117.46 110.63 1iqi n PHE 94 Ca -0.01 0.36 -0.06 0.00 -0.76 0.00 0.00 57.45 56.98 1iqi n PHE 94 Cb 0.09 -1.90 -0.07 0.00 0.35 0.00 0.00 39.48 37.95 1iqi n PHE 94 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1iqi s THR 95 N -1.88 0.00 0.24 -2.13 -4.23 -1.21 -5.00 115.64 101.43 1iqi s THR 95 Ca 0.65 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 61.10 1iqi s THR 95 Cb -0.37 -1.00 0.21 0.00 1.34 0.00 0.00 72.50 72.68 1iqi s THR 95 CO 0.58 0.00 1.86 0.07 -0.54 0.00 0.00 174.62 176.59 1iqi h LYS 96 N 5.95 1.26 -0.96 3.99 -0.00 -1.95 0.88 116.57 125.73 1iqi h LYS 96 Ca -0.29 -0.15 0.23 0.00 -0.00 0.00 0.00 60.65 60.44 1iqi h LYS 96 Cb 1.20 -0.25 -0.08 0.00 -0.00 0.00 0.00 32.23 33.11 1iqi h LYS 96 CO 0.16 0.92 0.63 1.05 -0.00 0.00 0.00 179.45 182.21 1iqi h GLU 97 N 1.26 0.39 0.00 0.07 9.09 -1.99 -3.09 114.58 120.30 1iqi h GLU 97 Ca 0.32 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.70 1iqi h GLU 97 Cb 0.03 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 27.04 1iqi h GLU 97 CO -0.05 0.26 0.00 0.25 0.05 0.00 0.00 179.01 179.52 1iqi n THR 98 N -4.54 0.02 -3.59 -1.06 -2.24 -1.18 -5.02 114.28 96.68 1iqi n THR 98 Ca 0.22 -0.28 -0.27 0.00 -2.27 0.00 0.00 64.05 61.45 1iqi n THR 98 Cb 0.77 1.43 0.01 0.00 -2.10 0.00 0.00 70.33 70.45 1iqi n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1iqi n TYR 99 N -0.01 -2.00 -3.62 4.78 4.02 0.30 -4.95 117.16 115.68 1iqi n TYR 99 Ca 0.00 0.66 -0.37 0.00 -0.01 0.00 0.00 57.90 58.18 1iqi n TYR 99 Cb 0.12 -3.52 -0.06 0.00 -0.02 0.00 0.00 39.34 35.86 1iqi n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1iqi s ASP 100 N -2.97 6.56 -0.29 7.72 2.15 -1.24 -4.22 116.67 124.38 1iqi s ASP 100 Ca 0.51 0.66 -0.01 0.00 0.43 0.00 0.00 52.55 54.14 1iqi s ASP 100 Cb -0.26 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1iqi s ASP 100 CO 0.63 0.27 0.25 0.49 -0.17 0.00 0.00 175.17 176.65 1iqi n PHE 101 N 2.46 -0.59 -2.53 -5.34 3.01 -1.26 -3.30 117.46 109.91 1iqi n PHE 101 Ca -0.15 0.22 -0.40 0.00 1.01 0.00 0.00 57.45 58.13 1iqi n PHE 101 Cb 0.53 -2.24 -0.03 0.00 -0.01 0.00 0.00 39.48 37.73 1iqi n PHE 101 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1iqi s ASP 102 N -3.17 6.29 -0.30 4.37 -1.08 -1.26 -4.36 116.67 117.16 1iqi s ASP 102 Ca 0.08 -0.97 -0.16 0.00 -0.52 0.00 0.00 52.55 50.97 1iqi s ASP 102 Cb -0.03 -2.56 0.19 0.00 -1.46 0.00 0.00 42.92 39.05 1iqi s ASP 102 CO 0.16 -1.71 1.17 -0.51 0.52 0.00 0.00 175.17 174.81 1iqi s ILE 103 N 5.56 -0.03 0.08 4.11 2.07 -1.26 -4.20 121.20 127.53 1iqi s ILE 103 Ca 0.43 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.58 1iqi s ILE 103 Cb -0.04 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.55 1iqi s ILE 103 CO 0.01 0.00 0.20 0.00 -1.91 0.00 0.00 174.94 173.25 1iqi s ALA 104 N 1.30 -0.29 -0.05 1.50 0.00 -0.26 -3.02 121.76 120.95 1iqi s ALA 104 Ca -0.07 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1iqi s ALA 104 Cb -0.03 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.57 1iqi s ALA 104 CO -0.12 -0.50 -0.13 0.08 0.00 0.00 0.00 175.76 175.08 1iqi s VAL 105 N -3.70 1.18 -0.17 0.00 1.01 -0.52 -1.23 120.40 116.98 1iqi s VAL 105 Ca 0.04 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 1iqi s VAL 105 Cb 0.04 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1iqi s VAL 105 CO -0.10 0.36 0.08 -0.76 0.00 0.00 0.00 175.10 174.67 1iqi s LEU 106 N 0.36 3.95 -0.26 3.92 1.43 0.30 -1.08 118.68 127.29 1iqi s LEU 106 Ca -0.09 0.16 -0.10 0.00 -1.03 0.00 0.00 54.13 53.08 1iqi s LEU 106 Cb -0.13 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 1iqi s LEU 106 CO 0.03 0.22 0.15 -0.60 0.23 0.00 0.00 176.35 176.37 1iqi s ARG 107 N 0.10 3.86 0.40 1.70 3.52 -0.63 0.19 118.95 128.09 1iqi s ARG 107 Ca 0.06 -0.37 -0.13 0.00 -0.13 0.00 0.00 55.73 55.16 1iqi s ARG 107 Cb -0.12 -3.53 -0.07 0.00 -1.56 0.00 0.00 34.95 29.67 1iqi s ARG 107 CO 0.00 -0.16 0.79 -0.51 -0.81 0.00 0.00 175.30 174.62 1iqi s LEU 108 N 1.63 3.87 -0.05 -0.88 1.43 0.38 0.87 118.68 125.93 1iqi s LEU 108 Ca 0.07 1.24 -0.18 0.00 -1.03 0.00 0.00 54.13 54.23 1iqi s LEU 108 Cb -0.15 -4.11 -0.12 0.00 0.03 0.00 0.00 46.19 41.84 1iqi s LEU 108 CO 0.08 -0.37 0.72 0.50 0.23 0.00 0.00 176.35 177.51 1iqi h LYS 109 N 1.51 -0.30 -5.56 1.70 3.64 -1.47 -3.43 116.57 112.66 1iqi h LYS 109 Ca -0.47 0.02 -0.59 0.00 -1.27 0.00 0.00 60.65 58.33 1iqi h LYS 109 Cb 1.18 0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.98 1iqi h LYS 109 CO 0.64 0.02 -0.31 0.99 -2.27 0.00 0.00 179.45 178.52 1iqi s THR 110 N -3.21 5.28 0.13 1.00 2.01 -1.26 -5.05 115.64 114.54 1iqi s THR 110 Ca -0.10 0.59 -0.31 0.00 0.31 0.00 0.00 61.69 62.17 1iqi s THR 110 Cb 0.00 -3.64 -0.10 0.00 0.01 0.00 0.00 72.50 68.78 1iqi s THR 110 CO 0.36 0.41 1.63 -2.16 -0.69 0.00 0.00 174.62 174.17 1iqi s PRO 111 N 0.29 4.20 0.06 4.92 0.04 -1.26 -4.88 135.00 138.36 1iqi s PRO 111 Ca 0.18 2.39 -0.31 0.00 0.04 0.00 0.00 61.00 63.29 1iqi s PRO 111 Cb -0.13 -3.35 -0.10 0.00 0.04 0.00 0.00 34.50 30.95 1iqi s PRO 111 CO 0.05 -0.68 1.88 -0.89 0.04 0.00 0.00 177.00 177.40 1iqi n ILE 112 N 4.31 0.53 -3.11 0.56 5.41 0.44 -4.94 119.36 122.56 1iqi n ILE 112 Ca 0.15 -0.09 -0.43 0.00 1.00 0.00 0.00 62.75 63.37 1iqi n ILE 112 Cb 0.39 -2.13 -0.06 0.00 -0.71 0.00 0.00 39.64 37.12 1iqi n ILE 112 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1iqi s THR 113 N 3.47 4.81 0.04 1.39 -4.23 -1.26 -4.65 115.64 115.20 1iqi s THR 113 Ca 0.86 -0.14 -0.30 0.00 -1.18 0.00 0.00 61.69 60.93 1iqi s THR 113 Cb -0.50 -4.28 -0.08 0.00 1.34 0.00 0.00 72.50 68.98 1iqi s THR 113 CO 0.41 -0.74 1.76 -0.36 -0.54 0.00 0.00 174.62 175.16 1iqi s PHE 114 N 2.84 1.96 0.00 3.99 0.08 -1.26 -4.93 117.98 120.66 1iqi s PHE 114 Ca 0.20 0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.27 1iqi s PHE 114 Cb -0.16 -4.06 0.00 0.00 -0.57 0.00 0.00 43.02 38.23 1iqi s PHE 114 CO 0.16 -4.47 0.00 2.89 -0.10 0.00 0.00 175.22 173.69 1iqi n ARG 115 N 6.51 0.00 -2.21 0.44 0.00 -0.89 -5.02 116.66 115.49 1iqi n ARG 115 Ca 0.18 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.69 1iqi n ARG 115 Cb 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 32.46 32.87 1iqi n ARG 115 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 1iqi s MET 116 N 1.95 3.41 -1.59 2.89 -2.45 -1.26 -2.99 119.30 119.26 1iqi s MET 116 Ca 0.00 1.36 0.00 0.00 -1.25 0.00 0.00 55.69 55.80 1iqi s MET 116 Cb 0.00 -2.04 0.00 0.00 1.25 0.00 0.00 34.83 34.04 1iqi s MET 116 CO 0.00 -0.76 0.00 0.09 1.05 0.00 0.00 175.02 175.40 1iqi n ASN 117 N -1.60 -4.35 -3.24 1.11 4.13 -1.26 -4.89 115.26 105.16 1iqi n ASN 117 Ca 0.10 0.31 -0.03 0.00 1.68 0.00 0.00 54.58 56.63 1iqi n ASN 117 Cb 0.52 -3.86 -0.03 0.00 -1.54 0.00 0.00 39.78 34.87 1iqi n ASN 117 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1iqi s VAL 118 N -2.48 -0.80 0.11 2.41 1.01 -1.16 -3.52 120.40 115.97 1iqi s VAL 118 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 1iqi s VAL 118 Cb 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.74 1iqi s VAL 118 CO 0.00 -0.16 0.26 0.00 0.00 0.00 0.00 175.10 175.20 1iqi s ALA 119 N 2.25 -0.37 0.37 5.51 0.00 -0.70 -2.10 121.76 126.72 1iqi s ALA 119 Ca 0.13 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.58 1iqi s ALA 119 Cb -0.10 0.61 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 1iqi s ALA 119 CO -0.18 -0.57 0.55 -1.25 0.00 0.00 0.00 175.76 174.31 1iqi s PRO 120 N -3.87 3.28 0.05 0.00 0.04 -1.26 -3.43 135.00 129.82 1iqi s PRO 120 Ca 0.07 -0.55 -0.05 0.00 0.04 0.00 0.00 61.00 60.51 1iqi s PRO 120 Cb 0.04 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.85 1iqi s PRO 120 CO -0.09 0.03 0.29 0.00 0.04 0.00 0.00 177.00 177.27 1iqi s ALA 121 N -2.33 3.85 0.47 8.56 0.00 0.43 -4.89 121.76 127.85 1iqi s ALA 121 Ca 0.43 -0.60 -0.21 0.00 0.00 0.00 0.00 51.96 51.58 1iqi s ALA 121 Cb -0.10 -2.06 -0.09 0.00 0.00 0.00 0.00 23.12 20.88 1iqi s ALA 121 CO 0.35 0.68 1.04 0.00 0.00 0.00 0.00 175.76 177.83 1iqi s LEU 123 N -3.38 3.88 0.74 0.00 1.02 -1.26 -0.02 118.68 119.66 1iqi s LEU 123 Ca 0.66 -0.49 -0.10 0.00 0.02 0.00 0.00 54.13 54.22 1iqi s LEU 123 Cb -0.17 -1.95 0.05 0.00 0.02 0.00 0.00 46.19 44.14 1iqi s LEU 123 CO 0.21 -0.15 1.09 -2.16 0.02 0.00 0.00 176.35 175.36 1iqi s PRO 124 N 1.59 2.32 0.46 1.29 0.04 -1.26 -5.00 135.00 134.43 1iqi s PRO 124 Ca 0.05 0.09 -0.20 0.00 0.04 0.00 0.00 61.00 60.98 1iqi s PRO 124 Cb -0.17 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 1iqi s PRO 124 CO 0.05 -1.29 0.97 -2.00 0.04 0.00 0.00 177.00 174.77 1iqi s GLU 124 N -5.39 4.10 0.03 4.56 -6.30 -1.26 -4.96 118.70 109.47 1iqi s GLU 124 Ca 0.60 1.13 -0.29 0.00 -2.50 0.00 0.00 54.97 53.91 1iqi s GLU 124 Cb -0.11 -2.16 -0.16 0.00 0.00 0.00 0.00 34.13 31.70 1iqi s GLU 124 CO 0.48 -0.15 1.24 -0.09 0.02 0.00 0.00 175.26 176.77 1iqi h ARG 125 N 1.66 -0.95 -0.06 4.30 2.43 -1.97 -1.98 114.38 117.79 1iqi h ARG 125 Ca -0.49 0.06 0.03 0.00 -0.81 0.00 0.00 59.98 58.77 1iqi h ARG 125 Cb 1.19 0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.92 1iqi h ARG 125 CO 0.61 -0.62 -0.10 -0.44 -1.51 0.00 0.00 179.97 177.91 1iqi h ASP 126 N -1.21 -0.29 -0.55 -3.80 3.45 -1.95 0.72 116.42 112.79 1iqi h ASP 126 Ca -0.10 0.05 0.05 0.00 0.43 0.00 0.00 57.03 57.46 1iqi h ASP 126 Cb 0.77 0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 39.65 1iqi h ASP 126 CO 0.17 -0.13 0.36 -0.25 -1.57 0.00 0.00 179.24 177.82 1iqi h TRP 127 N -0.13 0.56 0.29 4.55 7.01 -1.99 0.24 115.95 126.48 1iqi h TRP 127 Ca 0.06 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 1iqi h TRP 127 Cb 0.22 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.09 1iqi h TRP 127 CO -0.19 0.32 -0.14 0.00 -2.79 0.00 0.00 178.44 175.64 1iqi h ALA 128 N 1.69 -0.39 -0.47 2.65 0.00 -0.67 0.11 119.26 122.18 1iqi h ALA 128 Ca 0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1iqi h ALA 128 Cb 0.18 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1iqi h ALA 128 CO -0.06 -0.45 0.29 0.93 0.00 0.00 0.00 179.25 179.95 1iqi h GLU 129 N -0.91 0.63 0.26 0.00 5.08 -0.72 0.68 114.58 119.60 1iqi h GLU 129 Ca -0.04 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1iqi h GLU 129 Cb 0.51 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1iqi h GLU 129 CO 0.06 0.44 -0.13 1.03 -1.00 0.00 0.00 179.01 179.42 1iqi h SER 130 N 0.65 -0.30 0.00 1.42 0.87 -0.96 -3.34 113.55 111.88 1iqi h SER 130 Ca 0.17 -0.22 -0.14 0.00 -1.23 0.00 0.00 61.79 60.37 1iqi h SER 130 Cb -0.03 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 1iqi h SER 130 CO -0.03 0.18 -2.01 0.41 -0.53 0.00 0.00 176.83 174.85 1iqi n THR 131 N -5.03 0.51 0.04 2.23 -1.04 0.38 -4.17 114.28 107.19 1iqi n THR 131 Ca -0.08 -0.57 -0.22 0.00 -2.04 0.00 0.00 64.05 61.14 1iqi n THR 131 Cb 0.26 -0.19 -0.14 0.00 -1.82 0.00 0.00 70.33 68.44 1iqi n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1iqi h LEU 131 N 0.00 0.50 -0.99 -4.42 4.07 0.22 -3.30 115.31 111.39 1iqi h LEU 131 Ca -0.20 -0.93 0.00 0.00 0.08 0.00 0.00 57.88 56.83 1iqi h LEU 131 Cb 1.38 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.96 1iqi h LEU 131 CO 0.01 1.79 0.00 0.23 -1.08 0.00 0.00 178.44 179.39 1iqi n MET 131 N -3.61 1.67 0.00 1.13 2.81 -0.42 -3.16 117.12 115.55 1iqi n MET 131 Ca -0.28 -0.99 0.08 0.00 -1.81 0.00 0.00 57.70 54.71 1iqi n MET 131 Cb 1.04 -1.46 0.07 0.00 -0.71 0.00 0.00 33.22 32.15 1iqi n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1iqi n THR 132 N 0.20 0.00 -1.19 2.03 -2.24 -1.26 -4.95 114.28 106.87 1iqi n THR 132 Ca 0.18 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 1iqi n THR 132 Cb 0.35 1.34 0.13 0.00 -2.10 0.00 0.00 70.33 70.05 1iqi n THR 132 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1iqi s GLN 133 N -1.40 1.41 -0.03 -0.78 2.00 -1.19 -5.00 119.66 114.66 1iqi s GLN 133 Ca 0.19 0.91 -0.17 0.00 -2.00 0.00 0.00 55.36 54.29 1iqi s GLN 133 Cb 0.14 -1.82 -0.10 0.00 0.80 0.00 0.00 33.01 32.03 1iqi s GLN 133 CO 0.21 -2.16 0.71 0.87 -0.50 0.00 0.00 175.29 174.42 1iqi h LYS 134 N -1.49 -0.52 0.00 1.67 1.79 -1.92 -3.44 116.57 112.65 1iqi h LYS 134 Ca -0.48 0.04 -0.33 0.00 -2.18 0.00 0.00 60.65 57.69 1iqi h LYS 134 Cb 1.27 0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 32.01 1iqi h LYS 134 CO 0.53 -0.30 -0.18 0.25 -1.08 0.00 0.00 179.45 178.68 1iqi n THR 135 N -5.14 0.00 -3.92 -0.16 -2.24 -1.26 -2.43 114.28 99.12 1iqi n THR 135 Ca -0.07 -1.23 -0.08 0.00 -2.27 0.00 0.00 64.05 60.40 1iqi n THR 135 Cb 0.23 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.30 1iqi n THR 135 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iqi s GLY 136 N -2.90 0.22 -0.07 3.38 0.00 -1.07 -4.73 107.32 102.15 1iqi s GLY 136 Ca 0.13 -0.59 0.05 0.00 0.00 0.00 0.00 44.72 44.32 1iqi s GLY 136 CO 0.08 -0.36 -0.23 -0.42 0.00 0.00 0.00 173.10 172.17 1iqi s ILE 137 N -3.97 1.92 0.09 0.90 -1.09 0.16 -0.99 121.20 118.22 1iqi s ILE 137 Ca 0.17 -0.98 0.09 0.00 -2.23 0.00 0.00 60.65 57.70 1iqi s ILE 137 Cb -0.03 -1.64 -0.03 0.00 -1.58 0.00 0.00 42.46 39.18 1iqi s ILE 137 CO 0.08 0.53 -0.24 0.54 -1.23 0.00 0.00 174.94 174.62 1iqi s VAL 138 N 0.02 1.99 0.05 2.92 0.11 -0.88 -0.88 120.40 123.74 1iqi s VAL 138 Ca -0.08 -1.52 -0.18 0.00 -2.93 0.00 0.00 61.98 57.27 1iqi s VAL 138 Cb -0.14 -1.76 0.04 0.00 -1.53 0.00 0.00 36.38 32.99 1iqi s VAL 138 CO 0.05 0.14 0.42 -0.94 -3.33 0.00 0.00 175.10 171.43 1iqi s SER 139 N -1.68 -0.28 0.00 3.54 1.04 -1.19 0.03 113.70 115.16 1iqi s SER 139 Ca 0.10 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1iqi s SER 139 Cb -0.10 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1iqi s SER 139 CO 0.04 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1iqi n GLY 140 N 0.41 -1.14 0.28 7.32 0.00 -0.79 -4.09 105.19 107.18 1iqi n GLY 140 Ca -0.18 -0.81 0.03 0.00 0.00 0.00 0.00 46.02 45.06 1iqi n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1iqi n PHE 141 N 0.94 0.21 -0.66 1.61 3.72 -1.26 -1.98 117.46 120.04 1iqi n PHE 141 Ca 0.00 -0.55 -0.30 0.00 -0.05 0.00 0.00 57.45 56.55 1iqi n PHE 141 Cb 0.00 -0.06 0.19 0.00 -0.94 0.00 0.00 39.48 38.67 1iqi n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1iqi s GLY 142 N -1.15 1.65 0.28 1.37 0.00 -1.26 -0.95 107.32 107.26 1iqi s GLY 142 Ca 0.12 0.43 -0.26 0.00 0.00 0.00 0.00 44.72 45.01 1iqi s GLY 142 CO 0.06 0.91 0.52 0.54 0.00 0.00 0.00 173.10 175.14 1iqi n ARG 143 N -4.40 0.28 -0.64 2.90 3.00 0.16 -1.27 116.66 116.70 1iqi n ARG 143 Ca 0.10 0.10 0.08 0.00 -0.01 0.00 0.00 57.85 58.12 1iqi n ARG 143 Cb 0.53 -1.20 0.34 0.00 0.00 0.00 0.00 32.46 32.13 1iqi n ARG 143 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1iqi n THR 144 N -0.25 2.18 0.00 0.55 -2.24 -1.26 0.17 114.28 113.43 1iqi n THR 144 Ca 0.15 -1.41 0.00 0.00 -2.27 0.00 0.00 64.05 60.52 1iqi n THR 144 Cb 0.30 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1iqi n THR 144 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1iqi n HIS 145 N 0.54 0.00 0.00 4.78 -0.00 -1.26 -4.51 115.22 114.77 1iqi n HIS 145 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.96 1iqi n HIS 145 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.95 1iqi n HIS 145 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1iqi n GLU 147 N 0.00 0.00 0.00 1.57 0.00 -1.26 0.51 120.64 121.46 1iqi n GLU 147 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.30 1iqi n GLU 147 Cb 0.00 0.00 0.57 0.00 0.00 0.00 0.00 31.44 32.01 1iqi n GLU 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1iqi n LYS 148 N 0.00 1.07 -1.85 3.44 5.02 -1.26 -4.87 118.16 119.71 1iqi n LYS 148 Ca 0.00 -0.50 -0.30 0.00 -2.02 0.00 0.00 58.31 55.49 1iqi n LYS 148 Cb 0.00 -1.49 0.21 0.00 -0.02 0.00 0.00 35.03 33.73 1iqi n LYS 148 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1iqi s GLY 149 N -2.27 1.79 0.48 0.72 0.00 0.18 -5.07 107.32 103.15 1iqi s GLY 149 Ca 0.33 -1.26 -0.14 0.00 0.00 0.00 0.00 44.72 43.65 1iqi s GLY 149 CO 0.43 -0.44 0.91 1.09 0.00 0.00 0.00 173.10 175.09 1iqi s ARG 150 N -5.89 3.85 1.33 2.90 1.70 -1.26 -4.84 118.95 116.74 1iqi s ARG 150 Ca 0.75 0.74 -0.19 0.00 -0.47 0.00 0.00 55.73 56.57 1iqi s ARG 150 Cb -0.03 -2.23 0.33 0.00 -0.57 0.00 0.00 34.95 32.45 1iqi s ARG 150 CO 0.54 -0.21 0.85 0.94 -1.08 0.00 0.00 175.30 176.33 1iqi n GLN 151 N -1.60 -3.75 -3.75 3.89 7.27 -1.26 -4.05 117.38 114.14 1iqi n GLN 151 Ca 0.05 -1.10 -0.26 0.00 0.07 0.00 0.00 57.00 55.76 1iqi n GLN 151 Cb 0.54 -1.97 -0.03 0.00 2.41 0.00 0.00 30.24 31.19 1iqi n GLN 151 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1iqi s SER 152 N -2.68 6.36 -0.22 1.69 0.15 -0.13 -4.83 113.70 114.04 1iqi s SER 152 Ca 0.66 0.32 -0.16 0.00 0.70 0.00 0.00 55.95 57.46 1iqi s SER 152 Cb -0.17 -1.97 -0.18 0.00 -1.71 0.00 0.00 66.02 61.99 1iqi s SER 152 CO 0.59 -0.06 0.06 0.41 1.20 0.00 0.00 173.24 175.45 1iqi n THR 153 N -0.86 1.56 -2.76 6.45 -1.04 -1.26 -4.80 114.28 111.58 1iqi n THR 153 Ca -0.06 -0.23 -0.26 0.00 -2.04 0.00 0.00 64.05 61.46 1iqi n THR 153 Cb 0.54 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 1iqi n THR 153 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1iqi s ARG 154 N -2.44 3.40 0.11 -2.82 1.81 -1.26 0.13 118.95 117.89 1iqi s ARG 154 Ca -0.31 0.02 -0.18 0.00 -1.72 0.00 0.00 55.73 53.54 1iqi s ARG 154 Cb 0.09 -2.42 -0.07 0.00 -0.45 0.00 0.00 34.95 32.09 1iqi s ARG 154 CO 0.59 -0.22 0.58 -1.17 -0.68 0.00 0.00 175.30 174.39 1iqi s LEU 155 N -4.69 4.44 0.12 2.53 2.96 0.19 -4.71 118.68 119.52 1iqi s LEU 155 Ca 0.47 1.22 -0.02 0.00 -0.22 0.00 0.00 54.13 55.58 1iqi s LEU 155 Cb -0.10 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 43.46 1iqi s LEU 155 CO 0.43 0.19 0.07 -1.59 -1.32 0.00 0.00 176.35 174.13 1iqi s LYS 156 N -1.49 0.90 0.06 1.98 -2.85 -0.84 -1.68 119.74 115.82 1iqi s LYS 156 Ca 0.33 -1.36 0.06 0.00 -1.00 0.00 0.00 55.97 54.00 1iqi s LYS 156 Cb -0.18 0.26 -0.03 0.00 -2.06 0.00 0.00 37.83 35.82 1iqi s LYS 156 CO 0.19 -0.26 -0.16 0.00 0.10 0.00 0.00 175.35 175.23 1iqi s MET 157 N -4.01 0.97 -0.08 1.78 0.23 -1.18 -1.89 119.30 115.12 1iqi s MET 157 Ca 0.20 -0.88 -0.00 0.00 -1.03 0.00 0.00 55.69 53.97 1iqi s MET 157 Cb 0.07 -1.03 0.03 0.00 -1.53 0.00 0.00 34.83 32.37 1iqi s MET 157 CO -0.01 0.25 -0.03 -1.17 -2.03 0.00 0.00 175.02 172.03 1iqi s LEU 158 N -1.40 0.94 -0.52 0.18 0.20 0.11 -0.28 118.68 117.90 1iqi s LEU 158 Ca 0.02 -0.16 -0.28 0.00 0.69 0.00 0.00 54.13 54.39 1iqi s LEU 158 Cb -0.09 -0.57 0.02 0.00 -0.43 0.00 0.00 46.19 45.12 1iqi s LEU 158 CO 0.02 -0.14 1.33 -0.70 -0.29 0.00 0.00 176.35 176.57 1iqi s GLU 159 N 1.64 3.47 -0.26 1.98 2.12 -1.26 -2.06 118.70 124.32 1iqi s GLU 159 Ca 0.01 0.53 -0.03 0.00 0.36 0.00 0.00 54.97 55.84 1iqi s GLU 159 Cb -0.13 -4.05 0.03 0.00 0.26 0.00 0.00 34.13 30.24 1iqi s GLU 159 CO -0.05 -1.72 -0.03 0.14 -0.54 0.00 0.00 175.26 173.06 1iqi s VAL 160 N 5.45 3.10 0.57 3.70 -7.23 -0.16 -4.90 120.40 120.93 1iqi s VAL 160 Ca 0.52 -1.01 -0.21 0.00 -1.81 0.00 0.00 61.98 59.47 1iqi s VAL 160 Cb -0.10 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 1iqi s VAL 160 CO 0.28 0.14 1.35 -2.16 -0.31 0.00 0.00 175.10 174.40 1iqi s PRO 161 N 1.35 3.01 0.43 4.82 0.04 -1.26 -2.61 135.00 140.78 1iqi s PRO 161 Ca -0.00 2.22 -0.24 0.00 0.04 0.00 0.00 61.00 63.02 1iqi s PRO 161 Cb -0.17 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 32.11 1iqi s PRO 161 CO -0.03 -1.29 1.15 0.71 0.04 0.00 0.00 177.00 177.58 1iqi s TYR 162 N -1.31 3.01 0.10 0.56 2.02 -1.02 0.52 117.35 121.24 1iqi s TYR 162 Ca 0.74 1.56 0.06 0.00 -0.37 0.00 0.00 57.07 59.06 1iqi s TYR 162 Cb -0.40 -3.34 -0.04 0.00 -0.40 0.00 0.00 41.96 37.78 1iqi s TYR 162 CO 0.47 -1.28 -0.03 0.08 -1.57 0.00 0.00 175.55 173.21 1iqi s VAL 163 N -1.52 3.79 0.03 0.71 1.01 -1.13 -4.80 120.40 118.48 1iqi s VAL 163 Ca 0.60 -1.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 1iqi s VAL 163 Cb -0.28 -2.81 -0.07 0.00 0.00 0.00 0.00 36.38 33.22 1iqi s VAL 163 CO 0.35 0.09 1.67 -0.62 0.00 0.00 0.00 175.10 176.59 1iqi s ASP 164 N -2.36 6.61 0.52 3.32 2.15 -1.26 -4.76 116.67 120.89 1iqi s ASP 164 Ca 0.25 2.42 0.31 0.00 0.43 0.00 0.00 52.55 55.96 1iqi s ASP 164 Cb -0.11 -2.55 1.44 0.00 -0.30 0.00 0.00 42.92 41.40 1iqi s ASP 164 CO 0.17 -0.91 1.84 -0.09 -0.17 0.00 0.00 175.17 176.01 1iqi h ARG 165 N 8.85 0.07 0.54 4.34 2.43 -1.97 -0.40 114.38 128.24 1iqi h ARG 165 Ca -0.42 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.72 1iqi h ARG 165 Cb 1.20 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1iqi h ARG 165 CO 0.94 0.05 -0.26 -0.91 -1.51 0.00 0.00 179.97 178.27 1iqi h ASN 166 N 0.07 -0.61 -0.60 -3.80 2.35 -1.99 -0.55 115.58 110.45 1iqi h ASN 166 Ca 0.50 -0.02 0.11 0.00 -0.55 0.00 0.00 56.30 56.34 1iqi h ASN 166 Cb 1.86 0.16 -0.12 0.00 0.05 0.00 0.00 38.32 40.28 1iqi h ASN 166 CO -0.05 -0.21 -0.31 0.28 -1.65 0.00 0.00 177.43 175.49 1iqi h SER 167 N -1.13 -1.07 -0.87 5.81 0.02 -1.69 0.26 113.55 114.87 1iqi h SER 167 Ca -0.07 0.22 0.08 0.00 -0.84 0.00 0.00 61.79 61.18 1iqi h SER 167 Cb 0.60 0.55 -0.11 0.00 0.14 0.00 0.00 62.40 63.57 1iqi h SER 167 CO 0.12 -0.29 -0.57 0.00 -1.14 0.00 0.00 176.83 174.95 1iqi h LYS 169 N -0.09 0.01 0.15 0.00 1.57 0.85 -0.54 116.57 118.52 1iqi h LYS 169 Ca 0.15 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1iqi h LYS 169 Cb 0.46 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1iqi h LYS 169 CO -0.87 0.12 -0.07 -0.07 -0.57 0.00 0.00 179.45 177.99 1iqi h LEU 170 N 0.01 -0.17 -2.19 2.94 3.38 0.29 -3.28 115.31 116.29 1iqi h LEU 170 Ca 0.00 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.78 1iqi h LEU 170 Cb 0.20 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1iqi h LEU 170 CO 0.01 0.40 0.23 0.77 0.09 0.00 0.00 178.44 179.95 1iqi h SER 171 N -0.98 0.00 -3.64 -0.43 4.64 0.14 -3.44 113.55 109.84 1iqi h SER 171 Ca -0.02 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.88 1iqi h SER 171 Cb 0.41 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 62.68 1iqi h SER 171 CO 0.03 0.00 0.18 -0.55 -0.87 0.00 0.00 176.83 175.62 1iqi s SER 172 N -5.75 1.49 0.00 4.97 0.15 -0.22 -4.78 113.70 109.56 1iqi s SER 172 Ca -0.05 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.28 1iqi s SER 172 Cb 0.15 -0.98 0.00 0.00 -1.71 0.00 0.00 66.02 63.49 1iqi s SER 172 CO 0.55 -3.77 0.26 -1.20 1.20 0.00 0.00 173.24 170.28 1iqi n SER 173 N -4.53 0.30 -3.92 5.45 7.64 -1.26 -5.03 113.62 112.27 1iqi n SER 173 Ca 0.12 -1.07 -0.13 0.00 1.01 0.00 0.00 58.87 58.81 1iqi n SER 173 Cb 0.59 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.66 1iqi n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1iqi s PHE 174 N -0.07 0.19 -0.31 1.43 0.08 -1.26 -5.10 117.98 112.93 1iqi s PHE 174 Ca 0.00 -0.12 -0.35 0.00 0.12 0.00 0.00 56.93 56.57 1iqi s PHE 174 Cb 0.00 -0.12 -0.12 0.00 -0.57 0.00 0.00 43.02 42.21 1iqi s PHE 174 CO 0.00 -0.03 2.12 -0.89 -0.10 0.00 0.00 175.22 176.31 1iqi n ILE 175 N 2.75 0.24 -2.76 0.64 2.08 -1.26 -4.86 119.36 116.18 1iqi n ILE 175 Ca -0.14 -0.23 -0.43 0.00 0.56 0.00 0.00 62.75 62.51 1iqi n ILE 175 Cb 0.59 -1.64 -0.01 0.00 -0.75 0.00 0.00 39.64 37.82 1iqi n ILE 175 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1iqi s ILE 176 N 6.66 4.47 0.68 1.39 -1.09 -1.26 -5.00 121.20 127.06 1iqi s ILE 176 Ca 1.07 -1.74 -0.10 0.00 -2.23 0.00 0.00 60.65 57.65 1iqi s ILE 176 Cb -0.85 -4.98 0.15 0.00 -1.58 0.00 0.00 42.46 35.20 1iqi s ILE 176 CO 0.51 -1.76 0.34 0.35 -1.23 0.00 0.00 174.94 173.15 1iqi n THR 177 N 5.81 0.00 1.37 2.92 -2.24 -1.26 -4.87 114.28 116.00 1iqi n THR 177 Ca 0.35 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.27 1iqi n THR 177 Cb 0.47 -0.39 0.48 0.00 -2.10 0.00 0.00 70.33 68.79 1iqi n THR 177 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iqi n GLN 178 N -2.30 1.05 -0.51 -0.78 10.64 -1.26 -3.29 117.38 120.94 1iqi n GLN 178 Ca 0.05 -0.56 0.10 0.00 -1.83 0.00 0.00 57.00 54.76 1iqi n GLN 178 Cb 0.24 -1.49 0.34 0.00 -0.86 0.00 0.00 30.24 28.47 1iqi n GLN 178 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1iqi n ASN 179 N -0.48 4.41 -3.89 2.61 3.02 -1.26 -4.85 115.26 114.81 1iqi n ASN 179 Ca 0.15 -2.26 -0.09 0.00 -0.03 0.00 0.00 54.58 52.34 1iqi n ASN 179 Cb 0.33 -0.54 -0.09 0.00 -0.61 0.00 0.00 39.78 38.88 1iqi n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iqi s MET 180 N -1.49 0.69 0.06 3.52 0.23 -1.21 -0.90 119.30 120.20 1iqi s MET 180 Ca 0.50 -0.78 -0.06 0.00 -1.03 0.00 0.00 55.69 54.32 1iqi s MET 180 Cb 0.30 0.28 -0.02 0.00 -1.53 0.00 0.00 34.83 33.86 1iqi s MET 180 CO 0.28 -0.19 0.10 -0.59 -2.03 0.00 0.00 175.02 172.59 1iqi s PHE 181 N -2.96 0.27 0.18 3.16 -0.12 0.65 -4.72 117.98 114.45 1iqi s PHE 181 Ca -0.02 -0.71 -0.00 0.00 -0.05 0.00 0.00 56.93 56.15 1iqi s PHE 181 Cb 0.01 -0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.18 1iqi s PHE 181 CO -0.06 -0.45 0.36 0.00 -0.05 0.00 0.00 175.22 175.02 1iqi s ALA 183 N -1.82 -1.83 0.00 0.00 0.00 -0.80 -2.85 121.76 114.46 1iqi s ALA 183 Ca 0.38 1.90 0.00 0.00 0.00 0.00 0.00 51.96 54.24 1iqi s ALA 183 Cb -0.11 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.90 1iqi s ALA 183 CO 0.29 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1iqi n GLY 184 N 2.32 0.66 3.26 0.00 0.00 0.19 -2.17 105.19 109.45 1iqi n GLY 184 Ca -0.14 -1.52 -0.15 0.00 0.00 0.00 0.00 46.02 44.21 1iqi n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1iqi s TYR 185 N -3.96 1.32 -0.10 1.61 2.02 -1.26 -4.02 117.35 112.96 1iqi s TYR 185 Ca 0.00 -0.71 -0.19 0.00 -0.37 0.00 0.00 57.07 55.80 1iqi s TYR 185 Cb 0.00 -0.67 -0.27 0.00 -0.40 0.00 0.00 41.96 40.62 1iqi s TYR 185 CO 0.00 0.12 0.62 0.22 -1.57 0.00 0.00 175.55 174.94 1iqi h ASP 185 N 2.87 0.33 0.00 2.29 -0.00 -1.89 -3.43 116.42 116.59 1iqi h ASP 185 Ca -0.37 -0.86 -0.20 0.00 -0.00 0.00 0.00 57.03 55.60 1iqi h ASP 185 Cb 1.19 -0.11 -0.03 0.00 -0.00 0.00 0.00 39.33 40.39 1iqi h ASP 185 CO 0.61 1.50 -1.69 0.35 -0.00 0.00 0.00 179.24 180.01 1iqi n THR 185 N -4.08 0.68 -1.06 2.25 -2.24 -1.26 -1.22 114.28 107.34 1iqi n THR 185 Ca -0.22 -0.18 -0.34 0.00 -2.27 0.00 0.00 64.05 61.04 1iqi n THR 185 Cb 0.82 -1.56 0.01 0.00 -2.10 0.00 0.00 70.33 67.50 1iqi n THR 185 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1iqi n LYS 186 N -3.46 0.00 -2.92 -0.78 5.02 -1.26 -4.74 118.16 110.02 1iqi n LYS 186 Ca -0.24 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.63 1iqi n LYS 186 Cb 0.68 -0.89 0.01 0.00 -0.02 0.00 0.00 35.03 34.81 1iqi n LYS 186 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1iqi n GLN 187 N 1.51 4.65 -3.50 1.97 1.13 -1.26 -4.78 117.38 117.09 1iqi n GLN 187 Ca 0.05 -4.56 -0.14 0.00 -1.94 0.00 0.00 57.00 50.42 1iqi n GLN 187 Cb 0.43 -2.51 -0.11 0.00 0.11 0.00 0.00 30.24 28.16 1iqi n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1iqi s GLU 188 N -3.01 0.23 -0.30 -1.09 2.02 -1.26 -3.53 118.70 111.76 1iqi s GLU 188 Ca 0.33 0.46 -0.18 0.00 0.02 0.00 0.00 54.97 55.60 1iqi s GLU 188 Cb 0.07 -0.67 0.21 0.00 0.10 0.00 0.00 34.13 33.84 1iqi s GLU 188 CO 0.07 -0.55 1.29 0.34 0.02 0.00 0.00 175.26 176.43 1iqi s ASP 189 N 2.42 -0.04 0.11 -0.19 2.15 -1.12 -4.47 116.67 115.54 1iqi s ASP 189 Ca 0.07 0.06 -0.29 0.00 0.43 0.00 0.00 52.55 52.81 1iqi s ASP 189 Cb -0.15 1.03 -0.16 0.00 -0.30 0.00 0.00 42.92 43.34 1iqi s ASP 189 CO -0.12 -0.01 0.66 0.00 -0.17 0.00 0.00 175.17 175.52 1iqi n ALA 190 N 3.71 -2.94 -3.19 3.66 0.00 -1.26 -2.85 120.51 117.63 1iqi n ALA 190 Ca -0.12 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1iqi n ALA 190 Cb 0.56 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1iqi n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iqi n GLN 192 N -0.04 2.53 0.00 0.00 10.64 -1.26 -2.45 117.38 126.80 1iqi n GLN 192 Ca 0.00 0.89 0.00 0.00 -1.83 0.00 0.00 57.00 56.06 1iqi n GLN 192 Cb 0.00 -2.62 0.00 0.00 -0.86 0.00 0.00 30.24 26.76 1iqi n GLN 192 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1iqi n GLY 193 N 1.48 1.11 0.02 2.61 0.00 -1.26 0.40 105.19 109.54 1iqi n GLY 193 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1iqi n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iqi n ASP 194 N 0.00 0.57 -4.18 1.61 10.43 -1.02 -4.10 116.55 119.85 1iqi n ASP 194 Ca 0.00 -0.21 -0.37 0.00 2.57 0.00 0.00 54.79 56.78 1iqi n ASP 194 Cb 0.00 0.32 0.04 0.00 1.84 0.00 0.00 41.12 43.32 1iqi n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1iqi n SER 195 N -1.66 -4.24 0.00 -2.24 7.64 -1.26 -0.59 113.62 111.26 1iqi n SER 195 Ca 0.05 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.36 1iqi n SER 195 Cb 0.37 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 1iqi n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iqi n GLY 196 N 2.75 0.51 3.24 0.23 0.00 -0.15 0.59 105.19 112.36 1iqi n GLY 196 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1iqi n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqi n GLY 197 N -1.45 -2.55 3.83 -0.02 0.00 0.24 -2.98 105.19 102.25 1iqi n GLY 197 Ca 0.00 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 1iqi n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1iqi s PRO 198 N -3.48 4.07 -0.18 1.61 0.04 -1.24 -2.66 135.00 133.16 1iqi s PRO 198 Ca 0.54 0.61 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1iqi s PRO 198 Cb -0.11 -2.98 0.04 0.00 0.04 0.00 0.00 34.50 31.49 1iqi s PRO 198 CO 0.62 0.50 -0.07 -1.58 0.04 0.00 0.00 177.00 176.50 1iqi s HIS 199 N -1.40 2.03 0.08 0.56 2.46 -0.12 -3.18 115.29 115.72 1iqi s HIS 199 Ca 0.37 -1.32 0.07 0.00 0.47 0.00 0.00 55.06 54.65 1iqi s HIS 199 Cb -0.16 -1.46 -0.03 0.00 -0.13 0.00 0.00 32.58 30.79 1iqi s HIS 199 CO 0.19 -0.68 -0.19 0.14 -2.47 0.00 0.00 174.74 171.74 1iqi s VAL 200 N 1.52 1.52 0.03 0.89 -7.23 -0.06 -0.36 120.40 116.73 1iqi s VAL 200 Ca -0.00 -1.38 0.01 0.00 -1.81 0.00 0.00 61.98 58.80 1iqi s VAL 200 Cb -0.16 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.36 1iqi s VAL 200 CO -0.08 -0.04 0.06 -0.89 -0.31 0.00 0.00 175.10 173.85 1iqi s THR 201 N -1.08 4.54 -0.19 5.32 2.01 -0.77 0.41 115.64 125.87 1iqi s THR 201 Ca 0.04 -0.59 -0.06 0.00 0.31 0.00 0.00 61.69 61.40 1iqi s THR 201 Cb -0.10 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 1iqi s THR 201 CO 0.03 0.27 0.02 -0.60 -0.69 0.00 0.00 174.62 173.65 1iqi s ARG 202 N -1.95 3.74 -0.19 4.92 3.52 -1.26 -2.24 118.95 125.48 1iqi s ARG 202 Ca 0.25 -0.47 -0.05 0.00 -0.13 0.00 0.00 55.73 55.33 1iqi s ARG 202 Cb -0.12 -3.11 0.07 0.00 -1.56 0.00 0.00 34.95 30.23 1iqi s ARG 202 CO 0.16 0.11 0.10 0.12 -0.81 0.00 0.00 175.30 174.98 1iqi s PHE 203 N 0.76 0.23 -1.08 5.12 5.36 -0.99 -4.91 117.98 122.47 1iqi s PHE 203 Ca 0.01 -0.43 -0.00 0.00 -0.96 0.00 0.00 56.93 55.54 1iqi s PHE 203 Cb -0.14 -0.74 -0.00 0.00 -0.34 0.00 0.00 43.02 41.80 1iqi s PHE 203 CO 0.02 -0.58 0.90 1.63 -1.46 0.00 0.00 175.22 175.74 1iqi n LYS 204 N 5.27 -5.84 -1.02 10.12 5.02 -1.26 -2.93 118.16 127.52 1iqi n LYS 204 Ca -0.07 0.77 -0.01 0.00 -2.02 0.00 0.00 58.31 56.99 1iqi n LYS 204 Cb 0.48 -5.55 -0.00 0.00 -0.02 0.00 0.00 35.03 29.93 1iqi n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1iqi n ASP 205 N -2.94 -5.48 -3.98 4.39 8.00 -1.26 -4.96 116.55 110.32 1iqi n ASP 205 Ca -0.25 0.02 -0.24 0.00 0.71 0.00 0.00 54.79 55.02 1iqi n ASP 205 Cb 0.65 -3.05 -0.17 0.00 -0.02 0.00 0.00 41.12 38.53 1iqi n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1iqi s THR 206 N -1.24 1.03 0.30 -3.53 2.01 -1.15 -5.15 115.64 107.91 1iqi s THR 206 Ca 0.00 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.60 1iqi s THR 206 Cb 0.00 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1iqi s THR 206 CO 0.00 0.34 0.52 -0.31 -0.69 0.00 0.00 174.62 174.48 1iqi s TYR 207 N 0.94 3.49 0.00 4.92 1.51 -1.26 -2.34 117.35 124.60 1iqi s TYR 207 Ca -0.10 0.43 0.01 0.00 -1.01 0.00 0.00 57.07 56.40 1iqi s TYR 207 Cb -0.15 -1.94 -0.00 0.00 -0.11 0.00 0.00 41.96 39.75 1iqi s TYR 207 CO 0.01 0.19 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.55 1iqi s PHE 208 N -2.15 0.28 0.22 2.71 0.08 -0.95 -2.85 117.98 115.31 1iqi s PHE 208 Ca 0.41 -0.11 -0.30 0.00 0.12 0.00 0.00 56.93 57.05 1iqi s PHE 208 Cb -0.10 -0.18 -0.10 0.00 -0.57 0.00 0.00 43.02 42.07 1iqi s PHE 208 CO 0.33 -0.02 1.44 0.08 -0.10 0.00 0.00 175.22 176.94 1iqi s VAL 209 N -0.24 2.78 0.00 -0.44 1.01 0.98 -1.85 120.40 122.64 1iqi s VAL 209 Ca -0.01 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1iqi s VAL 209 Cb -0.02 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1iqi s VAL 209 CO -0.00 0.09 0.00 0.35 0.00 0.00 0.00 175.10 175.54 1iqi n THR 210 N 2.72 0.00 -3.79 3.92 -2.24 0.52 -4.58 114.28 110.82 1iqi n THR 210 Ca 0.08 -0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.76 1iqi n THR 210 Cb 0.40 0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.72 1iqi n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1iqi s GLY 211 N -0.52 0.06 -0.29 3.38 0.00 -0.52 -1.80 107.32 107.62 1iqi s GLY 211 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.32 1iqi s GLY 211 CO 0.00 -0.43 0.05 -0.42 0.00 0.00 0.00 173.10 172.30 1iqi s ILE 212 N -3.89 1.20 -0.29 0.90 1.01 -1.16 -0.94 121.20 118.01 1iqi s ILE 212 Ca 0.11 -1.43 -0.26 0.00 0.00 0.00 0.00 60.65 59.07 1iqi s ILE 212 Cb 0.00 -1.79 -0.11 0.00 0.01 0.00 0.00 42.46 40.57 1iqi s ILE 212 CO -0.03 -0.50 1.16 0.52 0.00 0.00 0.00 174.94 176.10 1iqi n VAL 213 N 4.74 0.00 0.00 2.92 0.31 -1.09 -2.71 118.33 122.50 1iqi n VAL 213 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1iqi n VAL 213 Cb 0.43 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 1iqi n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1iqi n SER 214 N 3.85 0.00 -3.61 4.52 2.88 -0.55 -0.98 113.62 119.73 1iqi n SER 214 Ca 0.28 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.73 1iqi n SER 214 Cb -0.03 -0.34 -0.02 0.00 -0.75 0.00 0.00 64.21 63.07 1iqi n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1iqi s TRP 215 N -0.95 0.21 -0.20 0.66 1.48 -0.87 -4.86 118.94 114.42 1iqi s TRP 215 Ca 0.00 -0.67 -0.31 0.00 -1.06 0.00 0.00 56.10 54.07 1iqi s TRP 215 Cb 0.00 0.48 0.15 0.00 -1.16 0.00 0.00 33.47 32.94 1iqi s TRP 215 CO 0.00 -1.23 1.17 0.20 -4.06 0.00 0.00 176.95 173.03 1iqi s GLY 216 N -3.03 -0.16 -1.03 3.67 0.00 -1.26 -0.44 107.32 105.07 1iqi s GLY 216 Ca 0.18 2.15 -0.20 0.00 0.00 0.00 0.00 44.72 46.86 1iqi s GLY 216 CO 0.10 0.90 1.33 -0.54 0.00 0.00 0.00 173.10 174.90 1iqi s GLU 217 N -1.50 3.68 2.09 2.90 2.02 -1.26 -4.88 118.70 121.76 1iqi s GLU 217 Ca 0.05 -1.64 0.00 0.00 0.02 0.00 0.00 54.97 53.40 1iqi s GLU 217 Cb -0.01 -5.15 0.00 0.00 0.10 0.00 0.00 34.13 29.07 1iqi s GLU 217 CO -0.04 -1.98 0.00 0.41 0.02 0.00 0.00 175.26 173.68 1iqi n GLY 218 N 5.85 -1.29 2.93 -1.39 0.00 -1.26 -4.61 105.19 105.42 1iqi n GLY 218 Ca 0.31 -1.31 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 1iqi n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqi n ALA 221 N 4.11 -0.22 -1.36 0.00 0.00 -1.26 -4.88 120.51 116.89 1iqi n ALA 221 Ca -0.22 0.19 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 1iqi n ALA 221 Cb 0.51 -1.30 0.09 0.00 0.00 0.00 0.00 19.45 18.76 1iqi n ALA 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iqi n ARG 222 N -1.86 0.54 -2.19 0.00 1.74 -1.26 -4.62 116.66 109.00 1iqi n ARG 222 Ca -0.12 0.25 -0.42 0.00 -0.77 0.00 0.00 57.85 56.78 1iqi n ARG 222 Cb 0.41 -2.34 -0.03 0.00 -1.02 0.00 0.00 32.46 29.48 1iqi n ARG 222 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1iqi s LYS 223 N -3.54 4.26 -0.07 5.56 2.47 -1.26 -2.77 119.74 124.39 1iqi s LYS 223 Ca 0.75 1.99 0.00 0.00 -1.56 0.00 0.00 55.97 57.15 1iqi s LYS 223 Cb -0.34 -3.66 0.00 0.00 -1.46 0.00 0.00 37.83 32.37 1iqi s LYS 223 CO 0.49 -0.64 0.00 0.41 0.16 0.00 0.00 175.35 175.76 1iqi n GLY 223 N 3.74 0.43 3.21 5.54 0.00 -0.36 -5.01 105.19 112.74 1iqi n GLY 223 Ca 0.14 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 1iqi n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iqi s LYS 224 N -0.74 0.93 0.04 1.61 3.01 -1.11 -4.75 119.74 118.72 1iqi s LYS 224 Ca 0.00 -1.08 0.00 0.00 -1.01 0.00 0.00 55.97 53.88 1iqi s LYS 224 Cb 0.00 -0.94 0.00 0.00 -1.01 0.00 0.00 37.83 35.88 1iqi s LYS 224 CO 0.00 0.20 0.01 0.66 0.51 0.00 0.00 175.35 176.73 1iqi n TYR 225 N 1.00 -0.58 -4.06 3.18 4.01 -1.26 -4.50 117.16 114.95 1iqi n TYR 225 Ca -0.19 -0.18 -0.35 0.00 -0.16 0.00 0.00 57.90 57.02 1iqi n TYR 225 Cb 0.55 -0.03 -0.12 0.00 -0.31 0.00 0.00 39.34 39.43 1iqi n TYR 225 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1iqi s GLY 226 N -1.43 1.72 -0.18 2.72 0.00 -0.92 -4.30 107.32 104.93 1iqi s GLY 226 Ca 0.01 -0.99 -0.17 0.00 0.00 0.00 0.00 44.72 43.57 1iqi s GLY 226 CO 0.01 0.24 0.46 -0.42 0.00 0.00 0.00 173.10 173.38 1iqi s ILE 227 N 1.01 5.17 0.23 0.90 -1.09 0.41 -1.91 121.20 125.92 1iqi s ILE 227 Ca 0.02 0.85 0.11 0.00 -2.23 0.00 0.00 60.65 59.40 1iqi s ILE 227 Cb -0.14 -3.79 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 1iqi s ILE 227 CO 0.02 0.25 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.48 1iqi s TYR 228 N 1.22 2.37 -0.10 3.97 1.51 0.52 -1.49 117.35 125.35 1iqi s TYR 228 Ca 0.22 -0.32 -0.26 0.00 -1.01 0.00 0.00 57.07 55.71 1iqi s TYR 228 Cb -0.15 -1.10 -0.03 0.00 -0.11 0.00 0.00 41.96 40.57 1iqi s TYR 228 CO 0.09 0.60 0.81 0.99 -1.11 0.00 0.00 175.55 176.93 1iqi s THR 229 N -2.05 4.94 -0.62 -0.71 2.01 -1.10 -0.25 115.64 117.85 1iqi s THR 229 Ca 0.26 1.65 -0.26 0.00 0.31 0.00 0.00 61.69 63.64 1iqi s THR 229 Cb -0.07 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 1iqi s THR 229 CO 0.13 0.13 1.97 -0.75 -0.69 0.00 0.00 174.62 175.41 1iqi s LYS 230 N 1.44 2.51 0.43 4.92 2.20 -0.08 -3.01 119.74 128.15 1iqi s LYS 230 Ca 0.41 0.65 0.10 0.00 -0.36 0.00 0.00 55.97 56.76 1iqi s LYS 230 Cb -0.18 -4.49 0.93 0.00 -1.51 0.00 0.00 37.83 32.58 1iqi s LYS 230 CO 0.17 -2.92 2.03 0.28 -0.36 0.00 0.00 175.35 174.56 1iqi h VAL 231 N 7.06 1.10 0.00 4.02 2.07 -1.68 -1.61 116.25 127.22 1iqi h VAL 231 Ca -0.22 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1iqi h VAL 231 Cb 1.16 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1iqi h VAL 231 CO 1.20 0.12 -0.11 0.71 0.02 0.00 0.00 177.57 179.52 1iqi h THR 232 N 0.33 0.81 -0.00 2.57 1.35 -1.88 -1.19 112.91 114.91 1iqi h THR 232 Ca 0.08 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1iqi h THR 232 Cb 0.09 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1iqi h THR 232 CO -0.01 0.11 0.00 0.00 -0.25 0.00 0.00 175.52 175.37 1iqi n ALA 233 N -2.40 2.64 -0.70 6.62 0.00 -0.60 -3.39 120.51 122.68 1iqi n ALA 233 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1iqi n ALA 233 Cb 0.20 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1iqi n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1iqi n PHE 234 N -0.84 0.00 0.00 0.00 3.72 -0.51 -4.92 117.46 114.91 1iqi n PHE 234 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1iqi n PHE 234 Cb 0.09 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1iqi n PHE 234 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1iqi n LEU 235 N -0.01 0.00 -0.40 4.37 4.32 -0.84 0.14 117.00 124.58 1iqi n LEU 235 Ca 0.00 0.70 0.32 0.00 -0.02 0.00 0.00 56.01 57.01 1iqi n LEU 235 Cb 0.17 -0.28 0.61 0.00 -1.62 0.00 0.00 43.42 42.31 1iqi n LEU 235 CO 0.00 -0.28 1.24 0.11 -1.22 0.00 0.00 177.39 177.24 1iqi h LYS 236 N 0.00 0.18 -0.23 3.23 1.57 -1.91 0.83 116.57 120.23 1iqi h LYS 236 Ca 0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1iqi h LYS 236 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1iqi h LYS 236 CO 0.00 0.12 0.03 2.35 -0.57 0.00 0.00 179.45 181.38 1iqi h TRP 237 N 0.18 0.41 -0.44 -1.35 7.01 -0.67 -2.56 115.95 118.53 1iqi h TRP 237 Ca 0.74 -0.06 0.07 0.00 2.11 0.00 0.00 58.89 61.74 1iqi h TRP 237 Cb 2.23 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 29.15 1iqi h TRP 237 CO -0.00 0.52 0.30 0.82 -2.79 0.00 0.00 178.44 177.29 1iqi h ILE 238 N 0.18 0.94 0.29 2.65 2.04 0.40 -2.22 117.51 121.79 1iqi h ILE 238 Ca 0.07 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1iqi h ILE 238 Cb 0.34 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1iqi h ILE 238 CO 0.01 0.06 -0.14 0.44 0.00 0.00 0.00 178.15 178.52 1iqi h ASP 239 N 0.33 -0.33 0.00 1.72 5.19 -0.84 -2.31 116.42 120.18 1iqi h ASP 239 Ca 0.20 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1iqi h ASP 239 Cb 0.36 0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.96 1iqi h ASP 239 CO -0.04 -0.18 0.00 -2.11 -3.12 0.00 0.00 179.24 173.78 1iqi n ARG 240 N -3.33 0.38 -0.03 3.56 1.85 -1.13 0.27 116.66 118.23 1iqi n ARG 240 Ca -0.05 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.85 1iqi n ARG 240 Cb 0.15 -1.00 -0.15 0.00 -1.05 0.00 0.00 32.46 30.41 1iqi n ARG 240 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1iqi n SER 241 N -0.48 0.44 0.01 2.89 2.88 -0.84 -3.45 113.62 115.07 1iqi n SER 241 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1iqi n SER 241 Cb 0.00 1.67 -0.07 0.00 -0.75 0.00 0.00 64.21 65.07 1iqi n SER 241 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1iqi n MET 242 N -2.32 0.33 -0.02 -1.46 2.81 0.14 -3.01 117.12 113.59 1iqi n MET 242 Ca -0.10 -0.05 0.13 0.00 -1.81 0.00 0.00 57.70 55.86 1iqi n MET 242 Cb 0.67 -1.56 0.54 0.00 -0.71 0.00 0.00 33.22 32.16 1iqi n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1iqi n LYS 243 N -1.95 1.55 -0.81 0.03 4.76 -0.32 -5.00 118.16 116.43 1iqi n LYS 243 Ca 0.01 -0.81 0.00 0.00 -2.87 0.00 0.00 58.31 54.64 1iqi n LYS 243 Cb 0.45 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 1iqi n LYS 243 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1iqi n THR 244 N -0.01 -3.06 0.00 -0.18 -1.04 -1.16 -5.03 114.28 103.80 1iqi n THR 244 Ca 0.19 1.15 0.00 0.00 -2.04 0.00 0.00 64.05 63.34 1iqi n THR 244 Cb 0.29 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 66.75 1iqi n THR 244 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29