#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uw9 s MET 2 N 0.00 3.24 -0.21 0.03 -1.94 -1.26 -5.02 119.30 114.14 1uw9 s MET 2 Ca 0.00 -0.41 -0.06 0.00 -1.71 0.00 0.00 55.69 53.51 1uw9 s MET 2 Cb 0.00 -2.97 -0.03 0.00 2.01 0.00 0.00 34.83 33.84 1uw9 s MET 2 CO 0.00 0.66 0.03 0.08 -0.01 0.00 0.00 175.02 175.78 1uw9 s VAL 3 N -1.26 4.23 -0.10 -6.03 1.01 -1.26 -4.84 120.40 112.14 1uw9 s VAL 3 Ca 0.25 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 1uw9 s VAL 3 Cb -0.12 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1uw9 s VAL 3 CO 0.16 0.41 1.38 0.86 0.00 0.00 0.00 175.10 177.91 1uw9 s TRP 4 N 1.06 2.65 0.12 5.22 -0.11 -1.26 -0.75 118.94 125.87 1uw9 s TRP 4 Ca 0.03 0.78 -0.30 0.00 1.22 0.00 0.00 56.10 57.83 1uw9 s TRP 4 Cb -0.14 -3.63 -0.06 0.00 -1.50 0.00 0.00 33.47 28.13 1uw9 s TRP 4 CO 0.02 -2.34 1.12 -0.08 -4.62 0.00 0.00 176.95 171.05 1uw9 s THR 5 N 3.34 4.03 -1.10 5.86 -1.32 -0.21 -4.92 115.64 121.32 1uw9 s THR 5 Ca 0.61 1.60 0.27 0.00 -1.21 0.00 0.00 61.69 62.97 1uw9 s THR 5 Cb -0.27 -4.02 0.18 0.00 -1.51 0.00 0.00 72.50 66.88 1uw9 s THR 5 CO 0.21 0.20 1.71 -0.81 -2.21 0.00 0.00 174.62 173.72 1uw9 n PRO 6 N 3.11 0.10 -4.32 7.08 -0.04 -1.26 -4.71 135.00 134.96 1uw9 n PRO 6 Ca 0.05 -0.04 -0.29 0.00 -0.04 0.00 0.00 63.50 63.19 1uw9 n PRO 6 Cb 0.47 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.31 1uw9 n PRO 6 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uw9 s VAL 7 N -2.92 2.75 -0.56 0.52 1.01 -1.26 -4.39 120.40 115.56 1uw9 s VAL 7 Ca 0.15 -1.60 -0.23 0.00 0.00 0.00 0.00 61.98 60.30 1uw9 s VAL 7 Cb 0.19 -2.27 0.05 0.00 0.00 0.00 0.00 36.38 34.34 1uw9 s VAL 7 CO 0.59 0.06 0.91 0.20 0.00 0.00 0.00 175.10 176.86 1uw9 s ASN 8 N -2.24 6.31 -0.28 3.32 -0.87 -1.26 -4.96 114.94 114.96 1uw9 s ASN 8 Ca 0.18 -0.49 0.16 0.00 -1.57 0.00 0.00 52.86 51.14 1uw9 s ASN 8 Cb -0.10 -2.42 0.49 0.00 -0.02 0.00 0.00 41.25 39.20 1uw9 s ASN 8 CO 0.10 -1.21 1.14 -3.20 -2.57 0.00 0.00 177.10 171.36 1uw9 n ASN 9 N 7.35 3.10 -4.77 -1.22 4.05 -1.11 -2.20 115.26 120.45 1uw9 n ASN 9 Ca 0.00 -2.81 -0.40 0.00 0.45 0.00 0.00 54.58 51.82 1uw9 n ASN 9 Cb 0.47 -0.42 -0.01 0.00 1.23 0.00 0.00 39.78 41.06 1uw9 n ASN 9 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1uw9 s LYS 10 N -3.71 4.06 0.44 1.20 -0.14 -0.18 -4.86 119.74 116.55 1uw9 s LYS 10 Ca 0.38 2.22 0.03 0.00 -1.36 0.00 0.00 55.97 57.24 1uw9 s LYS 10 Cb 0.36 -2.85 0.03 0.00 -1.68 0.00 0.00 37.83 33.70 1uw9 s LYS 10 CO -0.00 -0.44 0.26 -1.33 -0.76 0.00 0.00 175.35 173.08 1uw9 n MET 11 N 0.31 0.86 -2.73 1.68 2.81 -1.26 -4.67 117.12 114.12 1uw9 n MET 11 Ca 0.03 -2.84 -0.04 0.00 -1.81 0.00 0.00 57.70 53.03 1uw9 n MET 11 Cb 0.43 0.41 0.08 0.00 -0.71 0.00 0.00 33.22 33.42 1uw9 n MET 11 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1uw9 n PHE 12 N -1.44 -0.16 -4.50 2.03 3.01 -1.26 -5.12 117.46 110.02 1uw9 n PHE 12 Ca -0.05 -2.17 0.00 0.00 1.01 0.00 0.00 57.45 56.24 1uw9 n PHE 12 Cb 0.51 0.46 0.00 0.00 -0.01 0.00 0.00 39.48 40.44 1uw9 n PHE 12 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1uw9 n GLU 13 N -0.69 0.00 -1.68 -1.08 -0.58 -1.26 -4.58 120.64 110.78 1uw9 n GLU 13 Ca 0.00 0.00 -0.46 0.00 -0.42 0.00 0.00 57.16 56.28 1uw9 n GLU 13 Cb 0.83 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.66 1uw9 n GLU 13 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1uw9 n THR 14 N 0.00 0.22 -0.91 2.62 -1.04 -1.26 -1.66 114.28 112.25 1uw9 n THR 14 Ca 0.00 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1uw9 n THR 14 Cb 0.00 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 66.76 1uw9 n THR 14 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1uw9 n PHE 15 N 4.70 0.00 0.90 -1.42 0.99 -1.26 -4.55 117.46 116.81 1uw9 n PHE 15 Ca 0.19 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.75 1uw9 n PHE 15 Cb 0.31 0.00 0.52 0.00 -1.00 0.00 0.00 39.48 39.31 1uw9 n PHE 15 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1uw9 n SER 16 N 0.00 0.00 -0.73 4.37 3.41 -0.66 -2.12 113.62 117.89 1uw9 n SER 16 Ca 0.00 0.30 0.13 0.00 -0.26 0.00 0.00 58.87 59.04 1uw9 n SER 16 Cb 0.00 -0.42 0.31 0.00 -0.26 0.00 0.00 64.21 63.83 1uw9 n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1uw9 n TYR 17 N -1.42 0.00 -3.00 7.33 4.02 -1.26 -4.85 117.16 117.97 1uw9 n TYR 17 Ca 0.08 -0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.75 1uw9 n TYR 17 Cb 0.24 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.57 1uw9 n TYR 17 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1uw9 s LEU 18 N -2.00 3.63 0.71 7.72 1.43 -0.90 -5.08 118.68 124.19 1uw9 s LEU 18 Ca 0.33 0.05 -0.16 0.00 -1.03 0.00 0.00 54.13 53.32 1uw9 s LEU 18 Cb 0.20 -2.96 0.02 0.00 0.03 0.00 0.00 46.19 43.48 1uw9 s LEU 18 CO 0.32 -0.76 1.22 -2.65 0.23 0.00 0.00 176.35 174.71 1uw9 n PRO 19 N -2.03 0.73 -1.62 1.29 -0.02 -1.26 -4.88 135.00 127.21 1uw9 n PRO 19 Ca 0.03 0.31 -0.45 0.00 -2.02 0.00 0.00 63.50 61.37 1uw9 n PRO 19 Cb 0.58 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 1uw9 n PRO 19 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1uw9 n PRO 20 N -2.32 1.58 -2.16 0.52 -0.02 -1.26 -4.87 135.00 126.48 1uw9 n PRO 20 Ca 0.15 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 1uw9 n PRO 20 Cb 0.49 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 1uw9 n PRO 20 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1uw9 s LEU 21 N 0.21 4.40 0.86 2.45 1.43 -1.26 -5.02 118.68 121.74 1uw9 s LEU 21 Ca 0.64 2.44 -0.12 0.00 -1.03 0.00 0.00 54.13 56.06 1uw9 s LEU 21 Cb -0.71 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.01 1uw9 s LEU 21 CO 0.56 -0.60 1.11 0.42 0.23 0.00 0.00 176.35 178.06 1uw9 s THR 22 N 0.38 2.66 0.29 5.49 -4.23 -1.26 -4.81 115.64 114.15 1uw9 s THR 22 Ca 0.60 0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 61.30 1uw9 s THR 22 Cb -0.38 -2.89 0.27 0.00 1.34 0.00 0.00 72.50 70.83 1uw9 s THR 22 CO 0.37 -0.28 1.94 0.44 -0.54 0.00 0.00 174.62 176.55 1uw9 h ASP 23 N -1.33 0.99 -0.76 3.99 3.32 -1.99 -0.19 116.42 120.45 1uw9 h ASP 23 Ca -0.49 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.50 1uw9 h ASP 23 Cb 1.29 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 1uw9 h ASP 23 CO 0.59 0.70 0.31 -0.08 -1.72 0.00 0.00 179.24 179.03 1uw9 h GLU 24 N 1.16 1.14 -0.48 3.56 4.81 -1.99 -0.48 114.58 122.30 1uw9 h GLU 24 Ca 0.34 -0.20 -0.14 0.00 -0.13 0.00 0.00 59.36 59.23 1uw9 h GLU 24 Cb -0.05 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1uw9 h GLU 24 CO -0.09 0.92 -0.24 1.96 -0.73 0.00 0.00 179.01 180.83 1uw9 h GLN 25 N 1.11 1.00 -0.15 1.92 4.20 -1.67 -1.33 115.11 120.19 1uw9 h GLN 25 Ca 0.26 -0.44 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 1uw9 h GLN 25 Cb 0.21 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1uw9 h GLN 25 CO -0.02 1.12 0.07 0.82 -0.67 0.00 0.00 178.83 180.15 1uw9 h ILE 26 N 0.86 1.13 -0.97 2.54 2.04 -0.91 -2.32 117.51 119.89 1uw9 h ILE 26 Ca 0.10 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.65 1uw9 h ILE 26 Cb 0.82 1.12 -0.07 0.00 -0.74 0.00 0.00 36.82 37.95 1uw9 h ILE 26 CO 0.07 0.12 0.62 0.00 0.00 0.00 0.00 178.15 178.96 1uw9 h ALA 27 N 0.93 1.36 -0.67 1.87 0.00 -1.01 -0.90 119.26 120.84 1uw9 h ALA 27 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1uw9 h ALA 27 Cb 0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1uw9 h ALA 27 CO -0.01 0.38 0.29 0.00 0.00 0.00 0.00 179.25 179.92 1uw9 h ALA 28 N 1.45 1.26 -0.50 0.00 0.00 -1.07 -0.05 119.26 120.35 1uw9 h ALA 28 Ca 0.43 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1uw9 h ALA 28 Cb 0.20 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1uw9 h ALA 28 CO -0.18 0.56 -0.13 1.96 0.00 0.00 0.00 179.25 181.45 1uw9 h GLN 29 N 0.95 0.94 -0.62 0.00 1.08 -0.70 -2.11 115.11 114.66 1uw9 h GLN 29 Ca 0.23 -0.35 -0.08 0.00 -1.45 0.00 0.00 58.65 57.00 1uw9 h GLN 29 Cb 0.14 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 1uw9 h GLN 29 CO -0.03 1.01 0.07 0.28 -0.95 0.00 0.00 178.83 179.21 1uw9 h VAL 30 N 0.84 1.26 -0.87 -0.54 2.07 -0.84 -2.25 116.25 115.91 1uw9 h VAL 30 Ca 0.13 -1.06 0.07 0.00 0.82 0.00 0.00 66.70 66.67 1uw9 h VAL 30 Cb 0.67 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 1uw9 h VAL 30 CO 0.05 0.39 0.54 0.44 0.02 0.00 0.00 177.57 179.00 1uw9 h ASP 31 N 0.95 0.83 -0.61 0.57 3.32 -0.80 -2.06 116.42 118.61 1uw9 h ASP 31 Ca 0.18 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1uw9 h ASP 31 Cb 0.47 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1uw9 h ASP 31 CO 0.02 0.51 0.39 0.22 -1.72 0.00 0.00 179.24 178.66 1uw9 h TYR 32 N 0.95 0.79 0.06 4.55 3.20 -1.00 0.25 116.97 125.77 1uw9 h TYR 32 Ca 0.39 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.29 1uw9 h TYR 32 Cb 0.23 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1uw9 h TYR 32 CO -0.03 0.51 -0.19 0.82 -1.64 0.00 0.00 178.16 177.64 1uw9 h ILE 33 N 0.83 0.57 -0.40 1.81 2.04 -0.85 -2.50 117.51 119.01 1uw9 h ILE 33 Ca 0.22 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.02 1uw9 h ILE 33 Cb -0.06 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1uw9 h ILE 33 CO -0.05 0.00 0.01 0.58 0.00 0.00 0.00 178.15 178.69 1uw9 h VAL 34 N -0.34 1.26 -0.67 1.67 2.07 -1.07 -1.94 116.25 117.23 1uw9 h VAL 34 Ca 0.04 -0.99 0.13 0.00 0.82 0.00 0.00 66.70 66.70 1uw9 h VAL 34 Cb 0.37 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1uw9 h VAL 34 CO -0.13 0.33 0.45 0.00 0.02 0.00 0.00 177.57 178.25 1uw9 h ALA 35 N 0.89 2.13 -0.02 1.67 0.00 -0.43 -1.32 119.26 122.18 1uw9 h ALA 35 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1uw9 h ALA 35 Cb 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1uw9 h ALA 35 CO 0.02 -0.30 -0.21 0.09 0.00 0.00 0.00 179.25 178.85 1uw9 n ASN 36 N -4.46 1.81 -0.70 0.00 3.02 -0.95 -4.96 115.26 109.01 1uw9 n ASN 36 Ca 0.12 -1.42 -0.08 0.00 -0.03 0.00 0.00 54.58 53.17 1uw9 n ASN 36 Cb 0.48 0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 39.80 1uw9 n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uw9 n GLY 37 N 1.33 0.61 3.89 7.41 0.00 -0.50 -5.03 105.19 112.89 1uw9 n GLY 37 Ca 0.13 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 1uw9 n GLY 37 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uw9 s TRP 38 N -2.32 3.39 -0.44 1.61 0.51 -0.78 -4.99 118.94 115.92 1uw9 s TRP 38 Ca 0.00 0.97 -0.18 0.00 -2.12 0.00 0.00 56.10 54.78 1uw9 s TRP 38 Cb 0.00 -2.85 0.03 0.00 -0.81 0.00 0.00 33.47 29.84 1uw9 s TRP 38 CO 0.00 -0.91 0.47 0.42 -0.51 0.00 0.00 176.95 176.41 1uw9 s ILE 39 N -3.18 5.06 0.53 2.03 1.01 0.03 -4.70 121.20 121.97 1uw9 s ILE 39 Ca 0.55 -0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.59 1uw9 s ILE 39 Cb -0.11 -4.09 -0.06 0.00 0.01 0.00 0.00 42.46 38.21 1uw9 s ILE 39 CO 0.50 -0.50 1.14 -2.84 0.00 0.00 0.00 174.94 173.24 1uw9 s PRO 40 N 2.20 3.44 -0.09 2.79 0.02 -1.26 -0.50 135.00 141.60 1uw9 s PRO 40 Ca 0.12 1.66 -0.25 0.00 0.02 0.00 0.00 61.00 62.55 1uw9 s PRO 40 Cb -0.18 -2.10 0.06 0.00 0.02 0.00 0.00 34.50 32.30 1uw9 s PRO 40 CO 0.13 -0.79 0.59 0.00 -0.33 0.00 0.00 177.00 176.60 1uw9 s LEU 42 N -0.82 3.21 0.04 0.00 1.43 -1.26 -0.93 118.68 120.36 1uw9 s LEU 42 Ca -0.09 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 1uw9 s LEU 42 Cb -0.02 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 1uw9 s LEU 42 CO 0.06 0.28 -0.08 -1.61 0.23 0.00 0.00 176.35 175.23 1uw9 s GLU 43 N -1.46 0.54 0.10 1.70 2.02 -0.51 -0.83 118.70 120.25 1uw9 s GLU 43 Ca 0.17 -0.76 -0.08 0.00 0.02 0.00 0.00 54.97 54.33 1uw9 s GLU 43 Cb -0.11 -0.31 -0.01 0.00 0.10 0.00 0.00 34.13 33.80 1uw9 s GLU 43 CO 0.08 0.05 0.19 -0.59 0.02 0.00 0.00 175.26 175.01 1uw9 s PHE 44 N -1.36 0.24 -0.18 1.61 -0.12 -0.04 -0.88 117.98 117.25 1uw9 s PHE 44 Ca -0.10 -0.66 -0.22 0.00 -0.05 0.00 0.00 56.93 55.90 1uw9 s PHE 44 Cb -0.10 -0.09 0.06 0.00 -0.63 0.00 0.00 43.02 42.26 1uw9 s PHE 44 CO 0.00 -0.56 0.59 0.00 -0.05 0.00 0.00 175.22 175.20 1uw9 s ALA 45 N -3.89 -1.49 0.77 1.99 0.00 -0.43 -0.63 121.76 118.09 1uw9 s ALA 45 Ca 0.08 1.52 -0.12 0.00 0.00 0.00 0.00 51.96 53.44 1uw9 s ALA 45 Cb 0.05 -0.73 0.06 0.00 0.00 0.00 0.00 23.12 22.50 1uw9 s ALA 45 CO -0.09 -0.30 1.12 -1.83 0.00 0.00 0.00 175.76 174.66 1uw9 s GLU 46 N -0.08 2.13 0.32 0.00 -1.05 -1.26 -0.41 118.70 118.34 1uw9 s GLU 46 Ca -0.03 1.35 0.08 0.00 -0.15 0.00 0.00 54.97 56.22 1uw9 s GLU 46 Cb -0.04 -1.87 0.80 0.00 -0.44 0.00 0.00 34.13 32.58 1uw9 s GLU 46 CO 0.03 -1.77 1.78 0.00 0.95 0.00 0.00 175.26 176.25 1uw9 h ALA 47 N -0.92 1.75 0.00 -0.84 0.00 -1.96 0.35 119.26 117.64 1uw9 h ALA 47 Ca -0.45 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1uw9 h ALA 47 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1uw9 h ALA 47 CO 0.50 -0.13 0.00 -0.44 0.00 0.00 0.00 179.25 179.18 1uw9 h ASP 48 N 0.71 0.00 -0.23 0.00 3.32 -1.99 -2.86 116.42 115.37 1uw9 h ASP 48 Ca 0.58 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.63 1uw9 h ASP 48 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1uw9 h ASP 48 CO -0.37 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.44 1uw9 n LYS 49 N -2.82 2.69 0.06 3.56 4.76 0.10 -4.74 118.16 121.77 1uw9 n LYS 49 Ca 0.00 -2.56 -0.23 0.00 -2.87 0.00 0.00 58.31 52.66 1uw9 n LYS 49 Cb 0.22 -1.63 -0.15 0.00 -1.84 0.00 0.00 35.03 31.64 1uw9 n LYS 49 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uw9 h ALA 50 N 1.50 0.13 -3.42 7.82 0.00 -1.33 -3.45 119.26 120.51 1uw9 h ALA 50 Ca 0.00 -1.09 -0.67 0.00 0.00 0.00 0.00 54.91 53.16 1uw9 h ALA 50 Cb 1.18 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 19.25 1uw9 h ALA 50 CO 0.13 0.91 -0.66 0.71 0.00 0.00 0.00 179.25 180.34 1uw9 s TYR 51 N -2.54 3.02 0.10 0.00 1.51 -1.26 -4.94 117.35 113.24 1uw9 s TYR 51 Ca -0.17 0.04 -0.36 0.00 -1.01 0.00 0.00 57.07 55.57 1uw9 s TYR 51 Cb 0.05 -1.64 -0.17 0.00 -0.11 0.00 0.00 41.96 40.09 1uw9 s TYR 51 CO 0.83 0.44 1.21 1.55 -1.11 0.00 0.00 175.55 178.47 1uw9 n VAL 52 N 1.32 0.36 -4.23 0.71 3.14 -1.26 -4.70 118.33 113.67 1uw9 n VAL 52 Ca -0.14 -0.09 -0.18 0.00 -2.96 0.00 0.00 64.34 60.96 1uw9 n VAL 52 Cb 0.53 -0.67 -0.07 0.00 -1.06 0.00 0.00 33.84 32.57 1uw9 n VAL 52 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1uw9 s SER 53 N 0.19 1.52 0.00 6.55 1.04 -0.72 -4.97 113.70 117.31 1uw9 s SER 53 Ca 0.81 -1.70 0.00 0.00 0.48 0.00 0.00 55.95 55.54 1uw9 s SER 53 Cb -0.97 0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.75 1uw9 s SER 53 CO 0.51 -1.15 0.92 0.59 0.98 0.00 0.00 173.24 175.09 1uw9 n ASN 54 N -1.58 1.80 -0.06 7.02 3.02 -1.26 -0.62 115.26 123.57 1uw9 n ASN 54 Ca 0.06 -1.85 0.03 0.00 -0.03 0.00 0.00 54.58 52.78 1uw9 n ASN 54 Cb 0.62 0.00 0.36 0.00 -0.61 0.00 0.00 39.78 40.15 1uw9 n ASN 54 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1uw9 h GLU 55 N 0.00 0.66 0.00 3.52 9.09 -1.99 -1.72 114.58 124.15 1uw9 h GLU 55 Ca 0.00 -0.05 -0.01 0.00 0.05 0.00 0.00 59.36 59.35 1uw9 h GLU 55 Cb 0.48 -0.14 -0.00 0.00 -1.65 0.00 0.00 28.75 27.43 1uw9 h GLU 55 CO 0.00 0.46 -0.06 0.77 0.05 0.00 0.00 179.01 180.23 1uw9 h SER 56 N 0.68 0.00 0.21 3.06 0.02 -2.00 -2.99 113.55 112.52 1uw9 h SER 56 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1uw9 h SER 56 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1uw9 h SER 56 CO -0.03 0.06 0.00 0.00 -1.14 0.00 0.00 176.83 175.72 1uw9 h ALA 57 N 1.94 1.00 -0.18 3.77 0.00 -1.70 -0.97 119.26 123.11 1uw9 h ALA 57 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1uw9 h ALA 57 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1uw9 h ALA 57 CO 0.01 0.00 0.18 0.97 0.00 0.00 0.00 179.25 180.41 1uw9 h ILE 58 N 0.00 0.56 -0.01 0.00 2.10 -1.72 -1.74 117.51 116.70 1uw9 h ILE 58 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1uw9 h ILE 58 Cb 0.10 0.86 0.00 0.00 -1.09 0.00 0.00 36.82 36.69 1uw9 h ILE 58 CO 0.00 0.00 -0.03 0.54 -1.08 0.00 0.00 178.15 177.58 1uw9 n ARG 59 N -3.94 1.47 -3.84 2.19 1.74 -0.37 -4.96 116.66 108.95 1uw9 n ARG 59 Ca 0.01 -0.78 -0.28 0.00 -0.77 0.00 0.00 57.85 56.03 1uw9 n ARG 59 Cb 0.30 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.23 1uw9 n ARG 59 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1uw9 s PHE 60 N -2.07 3.49 0.00 -1.55 2.99 -0.65 -5.12 117.98 115.07 1uw9 s PHE 60 Ca 0.37 0.25 0.00 0.00 0.00 0.00 0.00 56.93 57.56 1uw9 s PHE 60 Cb 0.21 -1.77 0.00 0.00 0.00 0.00 0.00 43.02 41.46 1uw9 s PHE 60 CO 0.36 0.48 0.00 0.41 -0.00 0.00 0.00 175.22 176.48 1uw9 n GLY 61 N -0.33 0.19 2.31 4.36 0.00 -1.26 -4.89 105.19 105.56 1uw9 n GLY 61 Ca -0.05 -1.32 -0.24 0.00 0.00 0.00 0.00 46.02 44.40 1uw9 n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uw9 n SER 62 N 0.00 6.43 -0.73 1.61 7.64 -1.26 -4.41 113.62 122.90 1uw9 n SER 62 Ca 0.00 -2.90 0.05 0.00 1.01 0.00 0.00 58.87 57.04 1uw9 n SER 62 Cb 0.00 -1.34 0.12 0.00 -1.01 0.00 0.00 64.21 61.98 1uw9 n SER 62 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1uw9 n VAL 63 N 1.76 1.25 1.17 0.44 0.24 -1.26 -4.79 118.33 117.14 1uw9 n VAL 63 Ca 0.51 -2.01 0.14 0.00 -2.04 0.00 0.00 64.34 60.94 1uw9 n VAL 63 Cb 0.61 0.20 0.68 0.00 -1.47 0.00 0.00 33.84 33.86 1uw9 n VAL 63 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1uw9 n SER 64 N -0.59 0.00 -4.71 -1.34 3.41 -1.26 -4.76 113.62 104.37 1uw9 n SER 64 Ca 0.12 0.23 -0.57 0.00 -0.26 0.00 0.00 58.87 58.39 1uw9 n SER 64 Cb 0.81 -0.41 -0.07 0.00 -0.26 0.00 0.00 64.21 64.28 1uw9 n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uw9 n LEU 66 N 5.44 -1.58 -4.61 0.00 4.77 -1.26 -4.98 117.00 114.78 1uw9 n LEU 66 Ca 0.26 0.29 -0.36 0.00 -0.03 0.00 0.00 56.01 56.18 1uw9 n LEU 66 Cb 0.14 -2.75 -0.10 0.00 -2.33 0.00 0.00 43.42 38.38 1uw9 n LEU 66 CO 0.80 -0.69 -0.22 -0.47 -1.33 0.00 0.00 177.39 175.49 1uw9 s TYR 67 N -2.78 3.25 -0.02 -1.77 5.04 0.07 -5.09 117.35 116.04 1uw9 s TYR 67 Ca 0.00 0.06 -0.04 0.00 -2.44 0.00 0.00 57.07 54.65 1uw9 s TYR 67 Cb 0.00 -2.20 0.00 0.00 0.35 0.00 0.00 41.96 40.11 1uw9 s TYR 67 CO 0.00 0.02 0.08 0.71 -1.34 0.00 0.00 175.55 175.02 1uw9 s TYR 68 N 0.94 -0.03 0.63 4.97 2.02 -1.26 -4.97 117.35 119.66 1uw9 s TYR 68 Ca 0.06 0.07 -0.12 0.00 -0.37 0.00 0.00 57.07 56.71 1uw9 s TYR 68 Cb -0.13 -0.01 -0.03 0.00 -0.40 0.00 0.00 41.96 41.39 1uw9 s TYR 68 CO 0.03 -0.11 1.04 -0.51 -1.57 0.00 0.00 175.55 174.43 1uw9 s ASP 69 N -0.42 5.87 -0.24 2.29 1.01 0.20 -4.28 116.67 121.12 1uw9 s ASP 69 Ca -0.05 1.58 0.00 0.00 0.71 0.00 0.00 52.55 54.79 1uw9 s ASP 69 Cb -0.03 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1uw9 s ASP 69 CO 0.00 -1.11 0.00 0.59 0.21 0.00 0.00 175.17 174.86 1uw9 n ASN 70 N -2.63 -3.74 -0.03 0.27 3.02 -1.26 -1.76 115.26 109.13 1uw9 n ASN 70 Ca 0.07 0.06 -0.15 0.00 -0.03 0.00 0.00 54.58 54.53 1uw9 n ASN 70 Cb 0.54 -1.43 -0.10 0.00 -0.61 0.00 0.00 39.78 38.17 1uw9 n ASN 70 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1uw9 h ARG 71 N 0.44 0.21 -6.65 3.52 3.08 -1.90 -3.40 114.38 109.68 1uw9 h ARG 71 Ca -0.05 -0.18 -0.52 0.00 0.07 0.00 0.00 59.98 59.30 1uw9 h ARG 71 Cb 0.30 0.04 0.03 0.00 0.08 0.00 0.00 29.97 30.42 1uw9 h ARG 71 CO 0.07 0.84 0.64 0.71 -1.07 0.00 0.00 179.97 181.16 1uw9 s TYR 72 N -3.52 3.29 0.23 3.04 2.02 -1.26 -5.05 117.35 116.10 1uw9 s TYR 72 Ca -0.15 1.23 0.02 0.00 -0.37 0.00 0.00 57.07 57.79 1uw9 s TYR 72 Cb 0.02 -3.57 0.02 0.00 -0.40 0.00 0.00 41.96 38.02 1uw9 s TYR 72 CO 0.74 -1.79 0.14 0.91 -1.57 0.00 0.00 175.55 173.98 1uw9 n TRP 73 N 2.82 -0.80 -3.52 2.71 7.02 -1.26 -5.06 117.44 119.34 1uw9 n TRP 73 Ca 0.07 -0.99 -0.37 0.00 -1.02 0.00 0.00 57.50 55.18 1uw9 n TRP 73 Cb 0.43 -0.18 -0.06 0.00 -2.42 0.00 0.00 31.31 29.08 1uw9 n TRP 73 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1uw9 s THR 74 N -1.26 5.21 0.06 -0.99 2.01 0.20 -4.86 115.64 116.01 1uw9 s THR 74 Ca 0.10 0.68 -0.31 0.00 0.31 0.00 0.00 61.69 62.48 1uw9 s THR 74 Cb -0.01 -3.67 -0.06 0.00 0.01 0.00 0.00 72.50 68.78 1uw9 s THR 74 CO 0.07 0.47 1.23 -0.32 -0.69 0.00 0.00 174.62 175.38 1uw9 s MET 75 N -0.21 4.41 -0.37 4.92 1.75 -1.26 -0.86 119.30 127.67 1uw9 s MET 75 Ca 0.20 1.81 -0.26 0.00 -1.25 0.00 0.00 55.69 56.19 1uw9 s MET 75 Cb -0.15 -3.36 0.02 0.00 2.84 0.00 0.00 34.83 34.19 1uw9 s MET 75 CO 0.08 -0.31 0.96 -0.46 -0.65 0.00 0.00 175.02 174.65 1uw9 s TRP 76 N 1.20 3.06 0.00 4.11 -0.11 -0.01 -4.88 118.94 122.31 1uw9 s TRP 76 Ca 0.60 0.81 0.00 0.00 1.22 0.00 0.00 56.10 58.72 1uw9 s TRP 76 Cb -0.30 -3.72 0.00 0.00 -1.50 0.00 0.00 33.47 27.94 1uw9 s TRP 76 CO 0.29 -0.86 0.00 1.63 -4.62 0.00 0.00 176.95 173.39 1uw9 n LYS 77 N 6.88 0.00 -4.29 5.86 5.02 -1.26 -4.49 118.16 125.87 1uw9 n LYS 77 Ca 0.08 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.21 1uw9 n LYS 77 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.39 1uw9 n LYS 77 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1uw9 s LEU 78 N 0.00 2.54 0.44 -0.35 1.43 -1.26 -5.09 118.68 116.38 1uw9 s LEU 78 Ca 0.00 -1.01 -0.25 0.00 -1.03 0.00 0.00 54.13 51.85 1uw9 s LEU 78 Cb 0.00 -0.50 -0.09 0.00 0.03 0.00 0.00 46.19 45.63 1uw9 s LEU 78 CO 0.00 -0.25 1.23 -2.65 0.23 0.00 0.00 176.35 174.90 1uw9 n PRO 79 N -0.24 1.79 -2.25 1.29 -0.02 -1.26 -4.83 135.00 129.48 1uw9 n PRO 79 Ca -0.09 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 1uw9 n PRO 79 Cb 0.60 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1uw9 n PRO 79 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1uw9 n MET 80 N -0.05 3.52 -1.72 -0.52 2.81 0.76 -4.96 117.12 116.96 1uw9 n MET 80 Ca 0.08 -3.40 -0.43 0.00 -1.81 0.00 0.00 57.70 52.14 1uw9 n MET 80 Cb 0.40 -2.97 -0.02 0.00 -0.71 0.00 0.00 33.22 29.92 1uw9 n MET 80 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1uw9 n PHE 81 N 4.15 2.69 -0.72 2.03 3.72 -1.26 -1.95 117.46 126.12 1uw9 n PHE 81 Ca 0.41 0.23 0.00 0.00 -0.05 0.00 0.00 57.45 58.04 1uw9 n PHE 81 Cb 0.37 -2.59 0.00 0.00 -0.94 0.00 0.00 39.48 36.31 1uw9 n PHE 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uw9 n GLY 82 N 2.70 1.38 3.68 1.37 0.00 -1.26 -4.99 105.19 108.07 1uw9 n GLY 82 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1uw9 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uw9 n ARG 84 N 5.83 1.09 -3.93 0.00 1.74 -1.26 -4.94 116.66 115.19 1uw9 n ARG 84 Ca 0.16 -1.85 -0.30 0.00 -0.77 0.00 0.00 57.85 55.08 1uw9 n ARG 84 Cb 0.42 -1.09 -0.15 0.00 -1.02 0.00 0.00 32.46 30.61 1uw9 n ARG 84 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1uw9 s ASP 85 N -1.90 4.01 0.35 0.55 2.15 -1.26 -5.00 116.67 115.56 1uw9 s ASP 85 Ca 0.17 -1.36 0.06 0.00 0.43 0.00 0.00 52.55 51.84 1uw9 s ASP 85 Cb 0.15 -1.22 0.72 0.00 -0.30 0.00 0.00 42.92 42.27 1uw9 s ASP 85 CO 0.02 -0.27 1.92 -0.65 -0.17 0.00 0.00 175.17 176.01 1uw9 h PRO 86 N 7.92 0.78 -0.42 4.34 0.11 -1.94 -1.64 132.00 141.15 1uw9 h PRO 86 Ca -0.16 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.90 1uw9 h PRO 86 Cb 1.06 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 1uw9 h PRO 86 CO 0.43 0.51 0.24 0.52 -0.21 0.00 0.00 178.00 179.50 1uw9 h MET 87 N 0.80 0.57 -0.72 1.05 2.86 -1.99 -1.39 114.93 116.11 1uw9 h MET 87 Ca 0.37 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 1uw9 h MET 87 Cb 0.39 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1uw9 h MET 87 CO -0.14 0.41 0.40 0.37 1.06 0.00 0.00 176.91 179.00 1uw9 h GLN 88 N 0.58 1.01 -0.17 1.72 4.15 -1.73 -0.13 115.11 120.53 1uw9 h GLN 88 Ca 0.15 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 1uw9 h GLN 88 Cb -0.01 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.48 1uw9 h GLN 88 CO -0.03 0.75 0.06 0.28 -1.93 0.00 0.00 178.83 177.96 1uw9 h VAL 89 N 1.00 1.18 -0.89 2.39 2.07 -1.24 -1.85 116.25 118.90 1uw9 h VAL 89 Ca 0.25 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.26 1uw9 h VAL 89 Cb 0.03 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1uw9 h VAL 89 CO -0.04 0.17 0.57 -0.07 0.02 0.00 0.00 177.57 178.22 1uw9 h LEU 90 N 0.11 0.96 -1.02 2.57 3.38 -1.12 -0.92 115.31 119.27 1uw9 h LEU 90 Ca 0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1uw9 h LEU 90 Cb 0.21 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1uw9 h LEU 90 CO -0.00 0.66 0.11 0.03 0.09 0.00 0.00 178.44 179.32 1uw9 h ARG 91 N 1.12 0.81 -0.32 1.13 3.08 -0.92 -2.31 114.38 116.97 1uw9 h ARG 91 Ca 0.35 -0.17 -0.12 0.00 0.07 0.00 0.00 59.98 60.11 1uw9 h ARG 91 Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1uw9 h ARG 91 CO -0.12 0.75 -0.30 0.93 -1.07 0.00 0.00 179.97 180.16 1uw9 h GLU 92 N 0.78 0.68 -0.39 0.04 4.39 -0.51 -1.00 114.58 118.57 1uw9 h GLU 92 Ca 0.17 -0.30 0.03 0.00 0.34 0.00 0.00 59.36 59.60 1uw9 h GLU 92 Cb 0.32 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 1uw9 h GLU 92 CO 0.00 0.90 0.18 0.82 -1.16 0.00 0.00 179.01 179.75 1uw9 h ILE 93 N 0.58 0.95 -0.21 3.13 2.04 -0.93 0.88 117.51 123.96 1uw9 h ILE 93 Ca 0.07 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.83 1uw9 h ILE 93 Cb 0.80 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1uw9 h ILE 93 CO 0.07 0.07 0.06 0.58 0.00 0.00 0.00 178.15 178.92 1uw9 h VAL 94 N 0.36 0.93 -0.55 1.67 2.07 -1.19 -1.49 116.25 118.05 1uw9 h VAL 94 Ca 0.17 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 1uw9 h VAL 94 Cb 0.10 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1uw9 h VAL 94 CO -0.14 0.03 0.21 0.00 0.02 0.00 0.00 177.57 177.69 1uw9 h ALA 95 N 1.14 0.71 0.29 1.67 0.00 -0.82 -0.98 119.26 121.28 1uw9 h ALA 95 Ca 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1uw9 h ALA 95 Cb 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1uw9 h ALA 95 CO -0.11 0.34 -0.14 0.00 0.00 0.00 0.00 179.25 179.34 1uw9 h THR 97 N -0.54 1.08 -0.27 0.00 1.35 -1.26 -0.34 112.91 112.94 1uw9 h THR 97 Ca -0.04 -0.31 -0.04 0.00 -0.55 0.00 0.00 66.41 65.47 1uw9 h THR 97 Cb 0.40 0.99 -0.01 0.00 -1.73 0.00 0.00 68.15 67.79 1uw9 h THR 97 CO 0.07 0.10 0.01 0.50 -0.25 0.00 0.00 175.52 175.95 1uw9 h LYS 98 N 0.17 0.47 -0.16 4.72 3.64 -0.99 -1.87 116.57 122.55 1uw9 h LYS 98 Ca 0.04 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.18 1uw9 h LYS 98 Cb 0.12 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1uw9 h LYS 98 CO 0.00 0.62 -0.34 0.00 -2.27 0.00 0.00 179.45 177.47 1uw9 h ALA 99 N 0.83 1.13 -2.10 5.00 0.00 -0.89 -3.36 119.26 119.87 1uw9 h ALA 99 Ca 0.08 -0.37 -0.58 0.00 0.00 0.00 0.00 54.91 54.03 1uw9 h ALA 99 Cb 0.40 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 17.68 1uw9 h ALA 99 CO 0.01 0.56 -0.83 1.19 0.00 0.00 0.00 179.25 180.19 1uw9 n PHE 100 N -4.08 1.84 0.29 0.00 3.01 -0.18 -4.95 117.46 113.40 1uw9 n PHE 100 Ca -0.01 -3.89 0.18 0.00 1.01 0.00 0.00 57.45 54.74 1uw9 n PHE 100 Cb 0.44 -0.46 0.84 0.00 -0.01 0.00 0.00 39.48 40.29 1uw9 n PHE 100 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1uw9 h PRO 101 N 4.08 0.00 -0.28 -1.08 0.13 -1.49 -2.73 132.00 130.63 1uw9 h PRO 101 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1uw9 h PRO 101 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1uw9 h PRO 101 CO 0.67 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 178.21 1uw9 n ASP 102 N -3.18 3.14 -4.92 1.44 8.00 -1.26 -4.71 116.55 115.06 1uw9 n ASP 102 Ca -0.01 -1.92 -0.26 0.00 0.71 0.00 0.00 54.79 53.31 1uw9 n ASP 102 Cb 0.23 -0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.14 1uw9 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uw9 s ALA 103 N -1.44 3.63 0.21 2.24 0.00 -1.03 -4.37 121.76 121.00 1uw9 s ALA 103 Ca 0.32 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 51.27 1uw9 s ALA 103 Cb 0.19 -2.25 -0.08 0.00 0.00 0.00 0.00 23.12 20.98 1uw9 s ALA 103 CO 0.27 0.05 1.06 0.71 0.00 0.00 0.00 175.76 177.86 1uw9 s TYR 104 N -2.27 3.67 -0.03 0.00 1.51 0.45 -3.88 117.35 116.80 1uw9 s TYR 104 Ca 0.42 1.70 0.02 0.00 -1.01 0.00 0.00 57.07 58.20 1uw9 s TYR 104 Cb -0.10 -3.21 0.01 0.00 -0.11 0.00 0.00 41.96 38.55 1uw9 s TYR 104 CO 0.35 -0.34 -0.06 0.08 -1.11 0.00 0.00 175.55 174.46 1uw9 s VAL 105 N -0.66 0.62 0.05 0.71 1.01 -0.36 -1.31 120.40 120.45 1uw9 s VAL 105 Ca 0.46 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.27 1uw9 s VAL 105 Cb -0.29 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 1uw9 s VAL 105 CO 0.36 0.22 -0.17 0.00 0.00 0.00 0.00 175.10 175.50 1uw9 s ARG 106 N 0.48 1.12 -0.19 2.72 1.70 -0.06 -0.34 118.95 124.39 1uw9 s ARG 106 Ca -0.07 -0.89 -0.12 0.00 -0.47 0.00 0.00 55.73 54.18 1uw9 s ARG 106 Cb -0.11 -1.20 -0.05 0.00 -0.57 0.00 0.00 34.95 33.02 1uw9 s ARG 106 CO 0.00 0.30 0.20 -1.17 -1.08 0.00 0.00 175.30 173.55 1uw9 s LEU 107 N -1.30 4.21 0.32 -1.89 2.96 -0.52 -1.43 118.68 121.03 1uw9 s LEU 107 Ca 0.04 0.33 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 1uw9 s LEU 107 Cb -0.09 -2.21 -0.06 0.00 0.50 0.00 0.00 46.19 44.33 1uw9 s LEU 107 CO 0.02 0.13 0.06 0.68 -1.32 0.00 0.00 176.35 175.92 1uw9 s VAL 108 N 0.50 1.20 -0.02 1.68 -7.23 -0.10 -1.62 120.40 114.81 1uw9 s VAL 108 Ca 0.11 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.23 1uw9 s VAL 108 Cb -0.12 -2.79 0.01 0.00 0.56 0.00 0.00 36.38 34.03 1uw9 s VAL 108 CO 0.01 -0.01 0.12 0.00 -0.31 0.00 0.00 175.10 174.92 1uw9 s ALA 109 N -3.29 -0.29 0.02 1.32 0.00 -1.01 -1.13 121.76 117.38 1uw9 s ALA 109 Ca 0.36 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.43 1uw9 s ALA 109 Cb 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1uw9 s ALA 109 CO 0.15 -0.13 -0.04 -0.06 0.00 0.00 0.00 175.76 175.68 1uw9 s PHE 110 N -0.69 2.94 -0.26 0.00 0.08 0.35 -0.45 117.98 119.94 1uw9 s PHE 110 Ca -0.08 -0.01 -0.07 0.00 0.12 0.00 0.00 56.93 56.89 1uw9 s PHE 110 Cb -0.05 -1.60 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 1uw9 s PHE 110 CO 0.01 0.41 0.06 0.34 -0.10 0.00 0.00 175.22 175.94 1uw9 s ASP 111 N -1.61 5.02 0.02 1.36 -1.08 -0.37 -0.79 116.67 119.22 1uw9 s ASP 111 Ca 0.19 -0.37 0.28 0.00 -0.52 0.00 0.00 52.55 52.12 1uw9 s ASP 111 Cb -0.11 -1.89 1.05 0.00 -1.46 0.00 0.00 42.92 40.50 1uw9 s ASP 111 CO 0.10 -0.08 1.81 -0.46 0.52 0.00 0.00 175.17 177.05 1uw9 n ASN 112 N 4.89 0.17 -0.03 -0.34 6.94 -1.26 -1.10 115.26 124.54 1uw9 n ASN 112 Ca -0.16 0.35 -0.17 0.00 -0.02 0.00 0.00 54.58 54.59 1uw9 n ASN 112 Cb 0.50 -0.36 -0.14 0.00 -2.36 0.00 0.00 39.78 37.42 1uw9 n ASN 112 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1uw9 h GLN 113 N 0.00 0.11 0.00 -3.83 1.08 -1.95 -3.28 115.11 107.24 1uw9 h GLN 113 Ca 0.00 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 1uw9 h GLN 113 Cb 0.52 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 1uw9 h GLN 113 CO 0.00 1.09 0.00 1.63 -0.95 0.00 0.00 178.83 180.60 1uw9 n LYS 114 N -4.40 0.23 -3.73 1.46 5.02 -1.25 -4.98 118.16 110.51 1uw9 n LYS 114 Ca -0.13 0.19 -0.29 0.00 -2.02 0.00 0.00 58.31 56.06 1uw9 n LYS 114 Cb 0.63 -1.77 0.02 0.00 -0.02 0.00 0.00 35.03 33.88 1uw9 n LYS 114 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1uw9 n GLN 115 N -2.18 -1.10 -3.60 1.97 7.27 -0.26 -5.02 117.38 114.46 1uw9 n GLN 115 Ca 0.06 0.59 -0.16 0.00 0.07 0.00 0.00 57.00 57.56 1uw9 n GLN 115 Cb 0.42 -3.37 -0.07 0.00 2.41 0.00 0.00 30.24 29.63 1uw9 n GLN 115 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1uw9 s VAL 116 N -3.27 0.02 0.25 1.69 0.11 -0.84 -5.02 120.40 113.34 1uw9 s VAL 116 Ca 0.27 -0.19 -0.30 0.00 -2.93 0.00 0.00 61.98 58.83 1uw9 s VAL 116 Cb -0.12 -0.89 -0.10 0.00 -1.53 0.00 0.00 36.38 33.74 1uw9 s VAL 116 CO 0.88 -0.11 1.48 -1.58 -3.33 0.00 0.00 175.10 172.45 1uw9 s GLN 117 N -1.52 4.24 -0.00 1.54 0.74 -1.26 -1.24 119.66 122.16 1uw9 s GLN 117 Ca -0.10 2.35 0.04 0.00 0.05 0.00 0.00 55.36 57.70 1uw9 s GLN 117 Cb -0.02 -3.10 -0.05 0.00 1.10 0.00 0.00 33.01 30.94 1uw9 s GLN 117 CO 0.06 -0.47 0.15 1.51 -0.55 0.00 0.00 175.29 175.98 1uw9 n ILE 118 N 2.48 0.00 -3.77 -2.34 0.13 0.40 -4.89 119.36 111.36 1uw9 n ILE 118 Ca 0.08 -0.28 -0.09 0.00 -1.10 0.00 0.00 62.75 61.36 1uw9 n ILE 118 Cb 0.40 0.77 -0.03 0.00 -0.84 0.00 0.00 39.64 39.93 1uw9 n ILE 118 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1uw9 s MET 119 N -1.76 1.56 0.00 9.51 0.23 -1.21 -4.99 119.30 122.64 1uw9 s MET 119 Ca 0.00 -0.90 0.00 0.00 -1.03 0.00 0.00 55.69 53.76 1uw9 s MET 119 Cb 0.03 0.56 0.00 0.00 -1.53 0.00 0.00 34.83 33.89 1uw9 s MET 119 CO 0.18 -0.69 0.00 0.41 -2.03 0.00 0.00 175.02 172.89 1uw9 n GLY 120 N -0.40 1.65 3.48 3.16 0.00 -1.26 -2.40 105.19 109.42 1uw9 n GLY 120 Ca -0.08 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 1uw9 n GLY 120 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uw9 s PHE 121 N -1.53 -0.48 0.18 1.61 -0.71 -0.64 -4.38 117.98 112.04 1uw9 s PHE 121 Ca 0.00 0.46 -0.30 0.00 -1.04 0.00 0.00 56.93 56.05 1uw9 s PHE 121 Cb 0.00 0.52 -0.08 0.00 -1.21 0.00 0.00 43.02 42.25 1uw9 s PHE 121 CO 0.00 -0.66 1.21 -1.17 -1.34 0.00 0.00 175.22 173.26 1uw9 s LEU 122 N -2.23 4.44 -0.01 -1.99 2.96 -1.26 -1.44 118.68 119.15 1uw9 s LEU 122 Ca -0.00 2.25 0.07 0.00 -0.22 0.00 0.00 54.13 56.22 1uw9 s LEU 122 Cb -0.01 -3.61 -0.10 0.00 0.50 0.00 0.00 46.19 42.98 1uw9 s LEU 122 CO -0.06 -0.39 0.15 1.33 -1.32 0.00 0.00 176.35 176.05 1uw9 n VAL 123 N 2.56 0.00 -3.78 1.68 0.24 0.54 -4.89 118.33 114.69 1uw9 n VAL 123 Ca 0.05 -0.15 -0.13 0.00 -2.04 0.00 0.00 64.34 62.07 1uw9 n VAL 123 Cb 0.44 0.37 -0.12 0.00 -1.47 0.00 0.00 33.84 33.07 1uw9 n VAL 123 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1uw9 s GLN 124 N -2.43 0.27 0.07 7.34 0.74 -0.76 -4.96 119.66 119.94 1uw9 s GLN 124 Ca -0.02 0.37 0.07 0.00 0.05 0.00 0.00 55.36 55.83 1uw9 s GLN 124 Cb 0.04 0.09 -0.03 0.00 1.10 0.00 0.00 33.01 34.21 1uw9 s GLN 124 CO 0.27 -0.06 -0.20 -0.98 -0.55 0.00 0.00 175.29 173.78 1uw9 s ARG 125 N 0.33 1.17 0.33 1.67 1.70 -1.26 -1.22 118.95 121.66 1uw9 s ARG 125 Ca -0.02 -1.03 -0.28 0.00 -0.47 0.00 0.00 55.73 53.93 1uw9 s ARG 125 Cb -0.03 -1.34 -0.12 0.00 -0.57 0.00 0.00 34.95 32.88 1uw9 s ARG 125 CO -0.01 0.32 1.31 -0.35 -1.08 0.00 0.00 175.30 175.49 1uw9 n PRO 126 N 1.45 2.13 0.22 3.89 -0.04 -1.25 -4.88 135.00 136.52 1uw9 n PRO 126 Ca -0.19 0.75 0.15 0.00 -0.04 0.00 0.00 63.50 64.17 1uw9 n PRO 126 Cb 0.54 -2.34 0.69 0.00 -0.04 0.00 0.00 33.50 32.34 1uw9 n PRO 126 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1uw9 h LYS 127 N 2.76 0.00 0.00 0.54 2.10 -1.91 -1.89 116.57 118.18 1uw9 h LYS 127 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1uw9 h LYS 127 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1uw9 h LYS 127 CO 0.64 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 176.96 1uw9 n SER 128 N -2.66 0.43 -4.72 7.07 3.41 -1.26 -4.86 113.62 111.03 1uw9 n SER 128 Ca 0.00 0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 58.76 1uw9 n SER 128 Cb 0.20 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.44 1uw9 n SER 128 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uw9 s ALA 129 N -3.13 3.78 -0.05 7.33 0.00 -0.71 -4.89 121.76 124.09 1uw9 s ALA 129 Ca 0.09 1.37 0.09 0.00 0.00 0.00 0.00 51.96 53.51 1uw9 s ALA 129 Cb 0.12 -3.63 0.16 0.00 0.00 0.00 0.00 23.12 19.76 1uw9 s ALA 129 CO 0.45 -0.82 1.07 2.89 0.00 0.00 0.00 175.76 179.36 1uw9 n ARG 130 N 4.11 0.45 -0.81 0.00 1.85 -1.26 -4.81 116.66 116.19 1uw9 n ARG 130 Ca 0.14 -1.69 0.08 0.00 -1.00 0.00 0.00 57.85 55.38 1uw9 n ARG 130 Cb 0.38 -0.78 0.39 0.00 -1.05 0.00 0.00 32.46 31.40 1uw9 n ARG 130 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1uw9 n ASP 131 N -0.41 5.45 -4.14 2.89 3.85 -1.26 -4.76 116.55 118.18 1uw9 n ASP 131 Ca 0.06 -2.78 -0.09 0.00 -0.71 0.00 0.00 54.79 51.27 1uw9 n ASP 131 Cb 0.74 -0.65 -0.10 0.00 -1.35 0.00 0.00 41.12 39.75 1uw9 n ASP 131 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 1uw9 s TRP 132 N -2.47 0.75 0.07 2.11 1.48 -0.94 -1.02 118.94 118.93 1uw9 s TRP 132 Ca 0.54 -1.05 0.10 0.00 -1.06 0.00 0.00 56.10 54.63 1uw9 s TRP 132 Cb 0.39 -0.47 -0.03 0.00 -1.16 0.00 0.00 33.47 32.20 1uw9 s TRP 132 CO 0.19 -0.32 -0.25 -0.65 -4.06 0.00 0.00 176.95 171.86 1uw9 s GLN 133 N -3.92 1.71 0.76 3.25 -1.52 -1.22 -4.82 119.66 113.90 1uw9 s GLN 133 Ca 0.13 -1.17 -0.13 0.00 -1.95 0.00 0.00 55.36 52.23 1uw9 s GLN 133 Cb 0.07 -1.98 0.06 0.00 -0.22 0.00 0.00 33.01 30.93 1uw9 s GLN 133 CO -0.05 0.50 1.16 -1.25 -0.25 0.00 0.00 175.29 175.40 1uw9 s PRO 134 N -1.55 2.05 0.28 2.91 0.04 -1.26 -4.86 135.00 132.61 1uw9 s PRO 134 Ca 0.13 1.58 0.01 0.00 0.04 0.00 0.00 61.00 62.76 1uw9 s PRO 134 Cb -0.10 -1.84 0.64 0.00 0.04 0.00 0.00 34.50 33.24 1uw9 s PRO 134 CO 0.04 -1.87 1.69 0.00 0.04 0.00 0.00 177.00 176.90 1uw9 h ALA 135 N -0.65 1.26 -0.06 8.56 0.00 -1.98 -0.92 119.26 125.49 1uw9 h ALA 135 Ca -0.46 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1uw9 h ALA 135 Cb 1.27 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1uw9 h ALA 135 CO 0.49 -0.36 0.00 0.27 0.00 0.00 0.00 179.25 179.65 1uw9 n ASN 136 N -5.11 0.61 -0.17 0.00 6.94 -1.26 -3.09 115.26 113.19 1uw9 n ASN 136 Ca 0.20 -1.50 0.02 0.00 -0.02 0.00 0.00 54.58 53.27 1uw9 n ASN 136 Cb 0.60 -0.04 0.04 0.00 -2.36 0.00 0.00 39.78 38.02 1uw9 n ASN 136 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1uw9 n LYS 137 N -0.39 2.35 0.21 -3.83 4.76 -0.36 -4.66 118.16 116.24 1uw9 n LYS 137 Ca 0.15 -1.49 0.09 0.00 -2.87 0.00 0.00 58.31 54.19 1uw9 n LYS 137 Cb 0.16 -1.07 0.42 0.00 -1.84 0.00 0.00 35.03 32.71 1uw9 n LYS 137 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uw9 h ARG 138 N 0.58 0.00 -5.29 1.97 3.08 -1.46 -3.44 114.38 109.82 1uw9 h ARG 138 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 1uw9 h ARG 138 Cb 0.49 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.36 1uw9 h ARG 138 CO 0.00 0.26 -0.75 -1.54 -1.07 0.00 0.00 179.97 176.87 1uw9 s SER 139 N -6.25 1.83 0.00 7.04 1.04 -1.26 -1.04 113.70 115.05 1uw9 s SER 139 Ca 0.00 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1uw9 s SER 139 Cb 0.10 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1uw9 s SER 139 CO 0.65 -0.17 0.11 1.33 0.98 0.00 0.00 173.24 176.14