#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uqr s LYS 2 N 0.00 4.49 -0.06 0.03 -0.14 -1.26 -4.96 119.74 117.83 1uqr s LYS 2 Ca 0.00 1.86 0.05 0.00 -1.36 0.00 0.00 55.97 56.52 1uqr s LYS 2 Cb 0.00 -3.26 -0.01 0.00 -1.68 0.00 0.00 37.83 32.89 1uqr s LYS 2 CO 0.00 -0.11 -0.24 0.21 -0.76 0.00 0.00 175.35 174.46 1uqr s LYS 3 N -0.06 2.52 -0.02 1.68 2.47 -1.26 -2.01 119.74 123.06 1uqr s LYS 3 Ca 0.54 -0.86 0.07 0.00 -1.56 0.00 0.00 55.97 54.16 1uqr s LYS 3 Cb -0.32 -2.09 -0.02 0.00 -1.46 0.00 0.00 37.83 33.93 1uqr s LYS 3 CO 0.35 0.33 -0.24 0.42 0.16 0.00 0.00 175.35 176.37 1uqr s ILE 4 N -0.04 2.23 -0.14 5.43 1.01 -0.11 -0.90 121.20 128.67 1uqr s ILE 4 Ca -0.06 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.54 1uqr s ILE 4 Cb -0.14 -1.79 0.00 0.00 0.01 0.00 0.00 42.46 40.54 1uqr s ILE 4 CO 0.04 0.57 -0.19 -0.22 0.00 0.00 0.00 174.94 175.14 1uqr s LEU 5 N -0.67 2.31 -0.24 2.97 2.96 -0.36 -1.30 118.68 124.35 1uqr s LEU 5 Ca 0.10 -0.52 -0.11 0.00 -0.22 0.00 0.00 54.13 53.39 1uqr s LEU 5 Cb -0.10 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 45.04 1uqr s LEU 5 CO -0.01 0.10 0.17 -0.22 -1.32 0.00 0.00 176.35 175.07 1uqr s LEU 6 N 0.70 4.12 -0.06 -0.68 2.96 0.17 -1.08 118.68 124.81 1uqr s LEU 6 Ca -0.09 0.13 0.05 0.00 -0.22 0.00 0.00 54.13 54.00 1uqr s LEU 6 Cb -0.16 -2.12 -0.00 0.00 0.50 0.00 0.00 46.19 44.41 1uqr s LEU 6 CO 0.01 0.07 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.13 1uqr s LEU 7 N 1.02 2.00 -0.04 -0.68 1.43 0.60 -1.41 118.68 121.59 1uqr s LEU 7 Ca 0.08 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.76 1uqr s LEU 7 Cb -0.13 -1.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.86 1uqr s LEU 7 CO 0.04 0.18 -0.16 0.20 0.23 0.00 0.00 176.35 176.85 1uqr s ASN 8 N 0.08 2.00 0.11 2.29 0.01 -0.61 -1.28 114.94 117.53 1uqr s ASN 8 Ca -0.08 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 51.74 1uqr s ASN 8 Cb -0.14 -0.57 0.00 0.00 0.41 0.00 0.00 41.25 40.94 1uqr s ASN 8 CO 0.05 0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.38 1uqr n GLY 9 N 3.20 0.23 3.60 0.66 0.00 0.83 -2.59 105.19 111.12 1uqr n GLY 9 Ca -0.18 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 1uqr n GLY 9 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uqr n PRO 10 N -0.18 1.36 0.00 1.61 -0.04 -0.98 -3.07 135.00 133.69 1uqr n PRO 10 Ca 0.00 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1uqr n PRO 10 Cb 0.00 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1uqr n PRO 10 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1uqr n ASN 11 N 0.88 0.00 0.29 3.54 3.02 -1.26 -4.49 115.26 117.24 1uqr n ASN 11 Ca 0.09 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.84 1uqr n ASN 11 Cb 0.36 -0.68 0.97 0.00 -0.61 0.00 0.00 39.78 39.82 1uqr n ASN 11 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1uqr h LEU 12 N 0.00 0.00 -0.68 3.41 3.38 -1.92 0.20 115.31 119.70 1uqr h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1uqr h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1uqr h LEU 12 CO 0.00 0.00 0.00 -0.55 0.09 0.00 0.00 178.44 177.98 1uqr h ASN 13 N 0.00 0.00 -0.02 -0.43 -1.07 -1.87 -2.76 115.58 109.43 1uqr h ASN 13 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1uqr h ASN 13 Cb 0.14 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.39 1uqr h ASN 13 CO 0.00 0.00 0.00 0.23 0.07 0.00 0.00 177.43 177.73 1uqr n MET 14 N -2.36 1.36 -1.67 4.14 2.81 0.06 -4.78 117.12 116.69 1uqr n MET 14 Ca 0.02 -0.53 -0.46 0.00 -1.81 0.00 0.00 57.70 54.93 1uqr n MET 14 Cb 0.27 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 31.27 1uqr n MET 14 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1uqr n LEU 15 N -0.34 3.10 -0.25 4.03 4.77 -1.04 -1.66 117.00 125.61 1uqr n LEU 15 Ca 0.20 1.08 -0.03 0.00 -0.03 0.00 0.00 56.01 57.23 1uqr n LEU 15 Cb 0.24 -1.43 -0.01 0.00 -2.33 0.00 0.00 43.42 39.89 1uqr n LEU 15 CO 0.16 -0.28 -0.03 0.61 -1.33 0.00 0.00 177.39 176.52 1uqr n GLY 16 N 3.43 0.50 2.03 -0.72 0.00 -1.26 -4.25 105.19 104.91 1uqr n GLY 16 Ca 0.17 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1uqr n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uqr n LYS 17 N -1.16 3.53 -0.72 1.61 4.76 -0.66 -4.96 118.16 120.57 1uqr n LYS 17 Ca -0.03 -3.00 -0.28 0.00 -2.87 0.00 0.00 58.31 52.13 1uqr n LYS 17 Cb 0.33 -2.20 0.02 0.00 -1.84 0.00 0.00 35.03 31.34 1uqr n LYS 17 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1uqr n GLN 26 N -0.24 0.00 -3.42 1.97 6.02 -1.26 -5.13 117.38 115.32 1uqr n GLN 26 Ca 0.42 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 57.22 1uqr n GLN 26 Cb 1.41 -0.72 -0.02 0.00 1.02 0.00 0.00 30.24 31.94 1uqr n GLN 26 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1uqr s THR 27 N -1.43 2.70 0.21 5.09 -4.23 -1.26 -4.82 115.64 111.90 1uqr s THR 27 Ca 0.26 -1.25 -0.08 0.00 -1.18 0.00 0.00 61.69 59.43 1uqr s THR 27 Cb 0.06 -2.95 0.15 0.00 1.34 0.00 0.00 72.50 71.11 1uqr s THR 27 CO 0.48 0.00 1.79 0.25 -0.54 0.00 0.00 174.62 176.60 1uqr h LEU 28 N 0.90 1.05 -1.08 4.79 5.85 -1.78 -2.36 115.31 122.67 1uqr h LEU 28 Ca -0.41 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1uqr h LEU 28 Cb 1.27 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1uqr h LEU 28 CO 0.54 0.90 0.56 -1.28 -0.34 0.00 0.00 178.44 178.82 1uqr h SER 29 N 1.12 1.04 -0.68 1.25 0.87 -1.94 -0.95 113.55 114.26 1uqr h SER 29 Ca 0.27 -0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.84 1uqr h SER 29 Cb 0.15 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 61.80 1uqr h SER 29 CO -0.03 0.78 0.38 0.44 -0.53 0.00 0.00 176.83 177.87 1uqr h ASP 30 N 1.21 0.57 -0.08 6.23 3.32 -1.82 -0.60 116.42 125.25 1uqr h ASP 30 Ca 0.32 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 1uqr h ASP 30 Cb -0.09 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 1uqr h ASP 30 CO -0.06 0.37 -0.03 0.40 -1.72 0.00 0.00 179.24 178.20 1uqr h ILE 31 N 0.71 1.31 -0.23 0.35 2.04 -1.22 -1.72 117.51 118.74 1uqr h ILE 31 Ca 0.30 -1.00 0.03 0.00 1.00 0.00 0.00 64.86 65.19 1uqr h ILE 31 Cb 0.17 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 1uqr h ILE 31 CO -0.18 0.28 0.04 -0.33 0.00 0.00 0.00 178.15 177.96 1uqr h GLU 32 N -0.19 0.12 -0.40 2.37 5.08 -0.96 -1.25 114.58 119.36 1uqr h GLU 32 Ca 0.02 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1uqr h GLU 32 Cb 0.46 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1uqr h GLU 32 CO 0.01 0.08 -0.07 1.96 -1.00 0.00 0.00 179.01 179.99 1uqr h GLN 33 N 0.13 0.67 -0.47 2.33 1.08 -1.15 -1.95 115.11 115.75 1uqr h GLN 33 Ca 0.10 -0.19 -0.11 0.00 -1.45 0.00 0.00 58.65 57.00 1uqr h GLN 33 Cb 0.11 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1uqr h GLN 33 CO -0.14 0.73 -0.13 0.45 -0.95 0.00 0.00 178.83 178.79 1uqr h HIS 34 N 0.62 1.04 -0.25 2.96 3.86 -0.87 -0.79 115.15 121.72 1uqr h HIS 34 Ca 0.12 -0.23 -0.13 0.00 -1.16 0.00 0.00 60.37 58.96 1uqr h HIS 34 Cb 0.49 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1uqr h HIS 34 CO 0.02 1.01 -0.40 -0.07 0.86 0.00 0.00 177.93 179.35 1uqr h LEU 35 N 0.76 0.62 -0.48 2.43 4.07 -1.11 -0.26 115.31 121.34 1uqr h LEU 35 Ca 0.12 -0.27 -0.05 0.00 0.08 0.00 0.00 57.88 57.75 1uqr h LEU 35 Cb 0.69 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 1uqr h LEU 35 CO 0.05 0.95 0.11 -0.61 -1.08 0.00 0.00 178.44 177.86 1uqr h GLN 36 N 0.48 0.77 -0.26 1.13 4.15 -1.24 0.50 115.11 120.64 1uqr h GLN 36 Ca 0.04 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.27 1uqr h GLN 36 Cb 0.91 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 1uqr h GLN 36 CO 0.08 0.76 0.15 0.37 -1.93 0.00 0.00 178.83 178.26 1uqr h GLN 37 N 0.65 0.35 -0.11 1.69 4.15 -0.92 -1.41 115.11 119.51 1uqr h GLN 37 Ca 0.15 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.44 1uqr h GLN 37 Cb 0.34 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1uqr h GLN 37 CO 0.00 0.29 -0.36 0.77 -1.93 0.00 0.00 178.83 177.60 1uqr h SER 38 N 0.32 0.24 -0.18 -0.69 0.02 -0.86 -1.70 113.55 110.70 1uqr h SER 38 Ca 0.09 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1uqr h SER 38 Cb 0.03 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 1uqr h SER 38 CO -0.02 0.59 -0.08 0.00 -1.14 0.00 0.00 176.83 176.18 1uqr h ALA 39 N 1.43 0.25 0.00 3.77 0.00 -0.66 -2.89 119.26 121.15 1uqr h ALA 39 Ca 0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1uqr h ALA 39 Cb 0.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1uqr h ALA 39 CO 0.06 0.06 -0.19 1.96 0.00 0.00 0.00 179.25 181.14 1uqr h GLN 40 N 0.05 0.00 0.00 0.00 4.20 -1.15 -1.00 115.11 117.21 1uqr h GLN 40 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1uqr h GLN 40 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1uqr h GLN 40 CO 0.02 0.19 0.00 0.00 -0.67 0.00 0.00 178.83 178.37 1uqr h ALA 41 N 1.81 1.00 -0.03 3.87 0.00 -1.09 -1.48 119.26 123.34 1uqr h ALA 41 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uqr h ALA 41 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1uqr h ALA 41 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.31 1uqr n GLN 42 N -2.37 1.90 -1.09 0.00 6.02 -0.66 -4.98 117.38 116.21 1uqr n GLN 42 Ca -0.00 -2.30 -0.03 0.00 -0.01 0.00 0.00 57.00 54.65 1uqr n GLN 42 Cb 0.12 -1.39 -0.01 0.00 1.02 0.00 0.00 30.24 29.98 1uqr n GLN 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uqr n GLY 43 N -1.07 0.63 3.90 1.08 0.00 -0.56 -5.04 105.19 104.14 1uqr n GLY 43 Ca 0.12 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 1uqr n GLY 43 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uqr s TYR 44 N -2.07 3.31 -0.04 1.61 2.02 -0.47 -4.81 117.35 116.90 1uqr s TYR 44 Ca 0.00 -0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 56.65 1uqr s TYR 44 Cb 0.00 -1.51 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 1uqr s TYR 44 CO 0.00 0.48 0.03 -1.21 -1.57 0.00 0.00 175.55 173.28 1uqr s GLU 45 N -3.81 2.96 -0.03 -0.62 2.02 -0.85 -3.18 118.70 115.19 1uqr s GLU 45 Ca 0.33 -0.48 -0.00 0.00 0.02 0.00 0.00 54.97 54.84 1uqr s GLU 45 Cb -0.09 -2.79 0.03 0.00 0.10 0.00 0.00 34.13 31.39 1uqr s GLU 45 CO 0.27 0.67 0.03 -1.17 0.02 0.00 0.00 175.26 175.08 1uqr s LEU 46 N -1.31 0.93 0.21 1.80 0.20 -1.26 -0.94 118.68 118.31 1uqr s LEU 46 Ca 0.18 0.03 0.07 0.00 0.69 0.00 0.00 54.13 55.10 1uqr s LEU 46 Cb -0.12 -0.12 -0.04 0.00 -0.43 0.00 0.00 46.19 45.49 1uqr s LEU 46 CO 0.08 -0.14 0.11 -1.81 -0.29 0.00 0.00 176.35 174.29 1uqr s ASP 47 N 1.26 5.23 0.03 3.68 1.01 -0.42 -4.88 116.67 122.58 1uqr s ASP 47 Ca -0.07 -0.30 -0.01 0.00 0.71 0.00 0.00 52.55 52.88 1uqr s ASP 47 Cb -0.13 -1.26 -0.02 0.00 1.01 0.00 0.00 42.92 42.52 1uqr s ASP 47 CO -0.03 0.02 -0.01 -0.72 0.21 0.00 0.00 175.17 174.64 1uqr s TYR 48 N -1.97 0.29 -0.11 4.23 -0.85 -1.26 -0.65 117.35 117.03 1uqr s TYR 48 Ca 0.31 -0.61 -0.24 0.00 -0.52 0.00 0.00 57.07 56.01 1uqr s TYR 48 Cb -0.09 -0.22 0.06 0.00 0.38 0.00 0.00 41.96 42.09 1uqr s TYR 48 CO 0.22 -0.25 0.57 0.12 -1.52 0.00 0.00 175.55 174.70 1uqr s PHE 49 N -2.02 -0.56 -0.02 -3.49 5.36 -0.50 -4.95 117.98 111.79 1uqr s PHE 49 Ca -0.11 1.12 -0.03 0.00 -0.96 0.00 0.00 56.93 56.96 1uqr s PHE 49 Cb -0.06 0.27 0.01 0.00 -0.34 0.00 0.00 43.02 42.90 1uqr s PHE 49 CO -0.03 -0.45 0.07 -1.14 -1.46 0.00 0.00 175.22 172.21 1uqr s GLN 50 N -0.65 0.12 0.13 10.12 -0.44 -1.26 -1.57 119.66 126.11 1uqr s GLN 50 Ca -0.07 0.04 -0.20 0.00 -2.50 0.00 0.00 55.36 52.63 1uqr s GLN 50 Cb -0.03 0.06 0.05 0.00 -1.64 0.00 0.00 33.01 31.45 1uqr s GLN 50 CO 0.05 -0.02 0.50 0.00 0.50 0.00 0.00 175.29 176.32 1uqr s ALA 51 N -0.12 -1.26 -0.91 1.58 0.00 -1.07 -5.00 121.76 114.98 1uqr s ALA 51 Ca -0.02 0.25 0.17 0.00 0.00 0.00 0.00 51.96 52.37 1uqr s ALA 51 Cb -0.01 0.74 0.64 0.00 0.00 0.00 0.00 23.12 24.49 1uqr s ALA 51 CO 0.00 -0.68 1.55 0.09 0.00 0.00 0.00 175.76 176.73 1uqr n ASN 52 N -0.22 4.43 -3.96 0.00 3.02 -1.26 -2.33 115.26 114.94 1uqr n ASN 52 Ca -0.17 -2.50 -0.09 0.00 -0.03 0.00 0.00 54.58 51.80 1uqr n ASN 52 Cb 0.64 -0.53 -0.10 0.00 -0.61 0.00 0.00 39.78 39.18 1uqr n ASN 52 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1uqr s GLY 53 N -1.08 0.23 0.17 7.41 0.00 -1.26 -4.73 107.32 108.06 1uqr s GLY 53 Ca 0.46 -0.66 -0.11 0.00 0.00 0.00 0.00 44.72 44.41 1uqr s GLY 53 CO 0.21 -0.78 1.68 0.83 0.00 0.00 0.00 173.10 175.04 1uqr h GLU 54 N 3.74 0.95 -0.39 2.90 5.08 -1.99 -2.63 114.58 122.24 1uqr h GLU 54 Ca -0.33 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 57.82 1uqr h GLU 54 Cb 1.18 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1uqr h GLU 54 CO 0.51 0.87 0.23 1.49 -1.00 0.00 0.00 179.01 181.11 1uqr h GLU 55 N 0.86 0.46 -0.53 2.33 4.81 -1.98 0.21 114.58 120.74 1uqr h GLU 55 Ca 0.19 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1uqr h GLU 55 Cb 0.34 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1uqr h GLU 55 CO 0.00 0.31 0.24 0.77 -0.73 0.00 0.00 179.01 179.60 1uqr h SER 56 N 0.48 0.70 -0.36 1.04 0.02 -1.98 -0.47 113.55 112.98 1uqr h SER 56 Ca 0.15 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 1uqr h SER 56 Cb -0.01 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1uqr h SER 56 CO -0.06 0.65 -0.22 -0.07 -1.14 0.00 0.00 176.83 175.98 1uqr h LEU 57 N 0.71 0.82 -0.62 5.07 3.38 -1.22 -2.55 115.31 120.90 1uqr h LEU 57 Ca 0.18 -0.42 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 1uqr h LEU 57 Cb 0.14 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1uqr h LEU 57 CO -0.02 1.07 -0.04 0.40 0.09 0.00 0.00 178.44 179.94 1uqr h ILE 58 N 0.58 1.27 -0.59 1.22 2.04 -0.47 -1.65 117.51 119.90 1uqr h ILE 58 Ca 0.07 -1.19 -0.05 0.00 1.00 0.00 0.00 64.86 64.69 1uqr h ILE 58 Cb 0.78 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1uqr h ILE 58 CO 0.06 0.43 0.17 0.78 0.00 0.00 0.00 178.15 179.59 1uqr h ASN 59 N 0.94 0.84 -0.10 1.72 2.35 -1.06 -0.53 115.58 119.75 1uqr h ASN 59 Ca 0.16 -0.15 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 1uqr h ASN 59 Cb 0.60 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1uqr h ASN 59 CO 0.04 0.81 -0.33 -0.09 -1.65 0.00 0.00 177.43 176.20 1uqr h ARG 60 N 0.87 0.59 -0.45 0.81 9.65 -1.16 -0.90 114.38 123.80 1uqr h ARG 60 Ca 0.19 -0.27 -0.08 0.00 -1.10 0.00 0.00 59.98 58.72 1uqr h ARG 60 Cb 0.28 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 1uqr h ARG 60 CO -0.01 0.85 -0.05 0.82 2.80 0.00 0.00 179.97 184.38 1uqr h ILE 61 N 0.50 1.27 -0.56 1.20 2.04 -0.77 -2.55 117.51 118.64 1uqr h ILE 61 Ca 0.06 -1.13 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 1uqr h ILE 61 Cb 0.81 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1uqr h ILE 61 CO 0.07 0.39 0.13 0.45 0.00 0.00 0.00 178.15 179.18 1uqr h HIS 62 N 0.67 0.90 0.00 1.37 3.86 -0.92 -2.10 115.15 118.93 1uqr h HIS 62 Ca 0.12 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1uqr h HIS 62 Cb 0.57 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.77 1uqr h HIS 62 CO 0.04 0.76 -0.09 1.96 0.86 0.00 0.00 177.93 181.46 1uqr h GLN 63 N 0.84 0.00 0.00 2.45 4.20 -0.89 -2.10 115.11 119.61 1uqr h GLN 63 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1uqr h GLN 63 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1uqr h GLN 63 CO 0.00 0.09 -0.04 0.00 -0.67 0.00 0.00 178.83 178.21 1uqr n ALA 64 N -2.26 2.38 -1.65 3.87 0.00 -0.79 -4.84 120.51 117.22 1uqr n ALA 64 Ca -0.02 -0.09 -0.50 0.00 0.00 0.00 0.00 53.44 52.83 1uqr n ALA 64 Cb 0.22 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 18.17 1uqr n ALA 64 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1uqr n PHE 65 N -1.81 1.99 -0.77 0.00 -0.00 -0.79 -1.61 117.46 114.47 1uqr n PHE 65 Ca 0.06 0.39 0.00 0.00 -0.00 0.00 0.00 57.45 57.90 1uqr n PHE 65 Cb 0.38 -2.48 0.00 0.00 -0.00 0.00 0.00 39.48 37.38 1uqr n PHE 65 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1uqr n GLN 66 N 3.90 -0.33 0.00 -4.13 6.02 -1.26 -4.70 117.38 116.88 1uqr n GLN 66 Ca 0.20 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 1uqr n GLN 66 Cb 0.23 -3.88 0.00 0.00 1.02 0.00 0.00 30.24 27.62 1uqr n GLN 66 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1uqr n ASN 67 N -0.17 0.07 -4.37 1.08 6.94 -0.87 -5.04 115.26 112.90 1uqr n ASN 67 Ca 0.00 -0.37 -0.32 0.00 -0.02 0.00 0.00 54.58 53.87 1uqr n ASN 67 Cb 0.08 0.47 -0.15 0.00 -2.36 0.00 0.00 39.78 37.83 1uqr n ASN 67 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1uqr s THR 68 N -0.47 2.67 -0.10 5.53 2.01 -0.63 -4.67 115.64 119.98 1uqr s THR 68 Ca 0.00 -0.84 0.21 0.00 0.31 0.00 0.00 61.69 61.37 1uqr s THR 68 Cb 0.00 -2.04 -0.25 0.00 0.01 0.00 0.00 72.50 70.22 1uqr s THR 68 CO 0.00 0.57 0.56 0.47 -0.69 0.00 0.00 174.62 175.53 1uqr n ASP 69 N 2.87 0.23 -3.57 3.53 8.00 -0.08 -4.93 116.55 122.60 1uqr n ASP 69 Ca -0.17 0.09 -0.16 0.00 0.71 0.00 0.00 54.79 55.25 1uqr n ASP 69 Cb 0.52 1.44 -0.07 0.00 -0.02 0.00 0.00 41.12 43.00 1uqr n ASP 69 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1uqr s PHE 70 N -3.32 -0.66 -0.02 1.24 2.19 -1.18 -4.45 117.98 111.79 1uqr s PHE 70 Ca -0.06 1.30 0.07 0.00 0.33 0.00 0.00 56.93 58.56 1uqr s PHE 70 Cb 0.12 0.34 -0.02 0.00 -1.31 0.00 0.00 43.02 42.15 1uqr s PHE 70 CO 0.87 -0.52 -0.22 0.42 1.83 0.00 0.00 175.22 177.60 1uqr s ILE 71 N -0.70 1.77 -0.19 3.12 1.01 -0.51 -1.23 121.20 124.47 1uqr s ILE 71 Ca -0.08 -0.96 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 1uqr s ILE 71 Cb -0.02 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 40.98 1uqr s ILE 71 CO 0.07 0.50 -0.14 -0.63 0.00 0.00 0.00 174.94 174.74 1uqr s ILE 72 N -0.50 2.57 -0.02 2.92 1.01 -0.24 -1.42 121.20 125.52 1uqr s ILE 72 Ca 0.08 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1uqr s ILE 72 Cb -0.09 -2.12 0.01 0.00 0.01 0.00 0.00 42.46 40.28 1uqr s ILE 72 CO -0.01 0.50 -0.03 -0.51 0.00 0.00 0.00 174.94 174.89 1uqr s ILE 73 N 1.32 0.35 -0.40 2.92 2.07 -0.37 -0.29 121.20 126.80 1uqr s ILE 73 Ca 0.04 -0.08 0.01 0.00 -1.41 0.00 0.00 60.65 59.21 1uqr s ILE 73 Cb -0.14 -0.38 0.11 0.00 0.13 0.00 0.00 42.46 42.19 1uqr s ILE 73 CO -0.08 0.16 0.15 0.21 -1.91 0.00 0.00 174.94 173.46 1uqr s ASN 74 N 0.58 4.94 0.00 4.50 3.84 -0.41 -1.17 114.94 127.22 1uqr s ASN 74 Ca -0.07 -2.24 0.16 0.00 0.21 0.00 0.00 52.86 50.92 1uqr s ASN 74 Cb -0.10 -1.72 0.82 0.00 -0.55 0.00 0.00 41.25 39.70 1uqr s ASN 74 CO -0.01 -0.43 1.47 -2.65 -2.79 0.00 0.00 177.10 172.69 1uqr n PRO 75 N 4.21 0.23 0.00 0.43 -0.02 -1.26 -0.12 135.00 138.48 1uqr n PRO 75 Ca 0.02 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1uqr n PRO 75 Cb 0.40 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1uqr n PRO 75 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uqr n GLY 76 N 0.09 2.33 0.30 -1.23 0.00 -1.26 -2.04 105.19 103.39 1uqr n GLY 76 Ca 0.08 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.75 1uqr n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uqr h ALA 77 N -0.89 2.03 0.00 4.61 0.00 -1.94 -1.92 119.26 121.14 1uqr h ALA 77 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uqr h ALA 77 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1uqr h ALA 77 CO 0.00 -0.20 0.00 1.19 0.00 0.00 0.00 179.25 180.24 1uqr n PHE 78 N -4.30 0.37 -0.29 0.00 3.72 -0.86 -1.73 117.46 114.35 1uqr n PHE 78 Ca 0.01 0.18 -0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1uqr n PHE 78 Cb 0.25 -0.78 0.19 0.00 -0.94 0.00 0.00 39.48 38.19 1uqr n PHE 78 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1uqr h THR 79 N 0.00 1.21 0.00 4.37 2.02 -1.46 0.18 112.91 119.23 1uqr h THR 79 Ca 0.00 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1uqr h THR 79 Cb 0.08 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1uqr h THR 79 CO 0.00 0.21 -0.69 1.41 0.37 0.00 0.00 175.52 176.82 1uqr n HIS 80 N -4.41 0.21 0.00 3.16 8.25 -0.71 -0.82 115.22 120.90 1uqr n HIS 80 Ca 0.10 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1uqr n HIS 80 Cb 0.04 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.76 1uqr n HIS 80 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1uqr n THR 81 N -1.77 0.00 -3.02 1.59 -2.24 -1.08 -4.84 114.28 102.92 1uqr n THR 81 Ca 0.04 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.38 1uqr n THR 81 Cb 0.39 0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 1uqr n THR 81 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1uqr s SER 82 N -1.76 6.34 0.25 3.42 0.15 0.03 -4.81 113.70 117.33 1uqr s SER 82 Ca 0.00 -1.59 0.12 0.00 0.70 0.00 0.00 55.95 55.18 1uqr s SER 82 Cb 0.00 -2.35 0.20 0.00 -1.71 0.00 0.00 66.02 62.16 1uqr s SER 82 CO 0.00 -1.14 1.51 0.58 1.20 0.00 0.00 173.24 175.39 1uqr h VAL 83 N 5.81 1.30 -0.72 4.45 2.07 -1.93 -3.13 116.25 124.10 1uqr h VAL 83 Ca -0.14 -2.41 -0.03 0.00 0.82 0.00 0.00 66.70 64.93 1uqr h VAL 83 Cb 1.06 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 33.17 1uqr h VAL 83 CO 1.09 0.65 0.33 0.00 0.02 0.00 0.00 177.57 179.66 1uqr h ALA 84 N 1.34 0.93 -0.27 1.67 0.00 -1.98 -0.70 119.26 120.25 1uqr h ALA 84 Ca -0.01 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1uqr h ALA 84 Cb 1.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1uqr h ALA 84 CO 0.09 0.51 -0.42 0.82 0.00 0.00 0.00 179.25 180.25 1uqr h ILE 85 N 1.01 1.30 -0.13 0.00 2.04 -1.94 -1.29 117.51 118.50 1uqr h ILE 85 Ca 0.24 -1.60 0.03 0.00 1.00 0.00 0.00 64.86 64.54 1uqr h ILE 85 Cb 0.15 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1uqr h ILE 85 CO -0.03 0.51 -0.05 -0.09 0.00 0.00 0.00 178.15 178.50 1uqr h ARG 86 N 0.53 -0.02 0.00 2.37 2.43 -1.40 -1.44 114.38 116.85 1uqr h ARG 86 Ca 0.04 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1uqr h ARG 86 Cb 0.95 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1uqr h ARG 86 CO 0.09 -0.01 -0.23 -0.44 -1.51 0.00 0.00 179.97 177.86 1uqr h ASP 87 N -0.02 0.00 -0.22 -3.80 3.32 -0.91 -1.66 116.42 113.12 1uqr h ASP 87 Ca 0.07 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 1uqr h ASP 87 Cb 0.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1uqr h ASP 87 CO -0.15 0.23 -0.30 0.00 -1.72 0.00 0.00 179.24 177.30 1uqr h ALA 88 N 1.77 0.34 -0.80 3.45 0.00 -0.67 0.09 119.26 123.44 1uqr h ALA 88 Ca -0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 1uqr h ALA 88 Cb 0.50 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1uqr h ALA 88 CO 0.03 0.36 0.33 -0.07 0.00 0.00 0.00 179.25 179.90 1uqr h LEU 89 N 0.29 1.10 -0.62 0.00 3.38 -0.90 -2.43 115.31 116.13 1uqr h LEU 89 Ca 0.03 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1uqr h LEU 89 Cb 0.88 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1uqr h LEU 89 CO 0.07 0.97 -0.44 -0.07 0.09 0.00 0.00 178.44 179.06 1uqr h LEU 90 N 1.17 0.63 -1.39 1.67 3.38 -1.24 -3.05 115.31 116.47 1uqr h LEU 90 Ca 0.27 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1uqr h LEU 90 Cb 0.20 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1uqr h LEU 90 CO -0.02 0.98 -0.02 0.00 0.09 0.00 0.00 178.44 179.46 1uqr h ALA 91 N 1.05 1.51 -0.01 1.53 0.00 -0.52 -2.86 119.26 119.96 1uqr h ALA 91 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1uqr h ALA 91 Cb 0.95 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1uqr h ALA 91 CO 0.09 0.35 -0.17 1.33 0.00 0.00 0.00 179.25 180.85 1uqr n VAL 92 N -4.32 0.00 -3.94 0.00 0.24 -0.97 -4.98 118.33 104.36 1uqr n VAL 92 Ca 0.00 -0.24 -0.27 0.00 -2.04 0.00 0.00 64.34 61.79 1uqr n VAL 92 Cb 0.22 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 1uqr n VAL 92 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1uqr n SER 93 N 0.02 -2.01 -4.28 -1.34 7.64 -1.08 -4.70 113.62 107.87 1uqr n SER 93 Ca 0.14 -0.92 -0.34 0.00 1.01 0.00 0.00 58.87 58.77 1uqr n SER 93 Cb 0.41 -3.41 -0.15 0.00 -1.01 0.00 0.00 64.21 60.05 1uqr n SER 93 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1uqr s ILE 94 N -3.63 2.97 0.53 0.44 1.01 -1.25 -5.07 121.20 116.19 1uqr s ILE 94 Ca 0.28 -0.65 -0.22 0.00 0.00 0.00 0.00 60.65 60.06 1uqr s ILE 94 Cb -0.15 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.97 1uqr s ILE 94 CO 0.87 0.48 1.30 -2.16 0.00 0.00 0.00 174.94 175.42 1uqr s PRO 95 N 1.13 3.27 0.10 2.79 0.04 -1.26 -4.77 135.00 136.29 1uqr s PRO 95 Ca 0.01 2.08 -0.06 0.00 0.04 0.00 0.00 61.00 63.07 1uqr s PRO 95 Cb -0.14 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 32.12 1uqr s PRO 95 CO -0.03 -1.04 0.14 -0.59 0.04 0.00 0.00 177.00 175.53 1uqr s PHE 96 N -1.39 0.37 -0.05 0.56 -0.71 -1.26 -1.43 117.98 114.07 1uqr s PHE 96 Ca 0.70 -0.81 0.05 0.00 -1.04 0.00 0.00 56.93 55.84 1uqr s PHE 96 Cb -0.37 -0.18 -0.01 0.00 -1.21 0.00 0.00 43.02 41.25 1uqr s PHE 96 CO 0.43 -0.54 -0.22 -1.50 -1.34 0.00 0.00 175.22 172.05 1uqr s ILE 97 N -3.92 1.78 -0.07 -4.49 2.07 -0.50 -0.54 121.20 115.53 1uqr s ILE 97 Ca 0.10 -0.91 -0.15 0.00 -1.41 0.00 0.00 60.65 58.29 1uqr s ILE 97 Cb 0.06 -1.52 -0.05 0.00 0.13 0.00 0.00 42.46 41.08 1uqr s ILE 97 CO -0.07 0.50 0.38 -0.70 -1.91 0.00 0.00 174.94 173.14 1uqr s GLU 98 N -0.04 4.05 0.02 3.50 2.12 -0.66 -1.23 118.70 126.45 1uqr s GLU 98 Ca -0.05 0.31 0.03 0.00 0.36 0.00 0.00 54.97 55.62 1uqr s GLU 98 Cb -0.13 -3.31 -0.01 0.00 0.26 0.00 0.00 34.13 30.94 1uqr s GLU 98 CO 0.03 0.49 -0.10 0.08 -0.54 0.00 0.00 175.26 175.22 1uqr s VAL 99 N -0.37 0.74 -0.01 3.70 1.01 -0.32 -1.23 120.40 123.92 1uqr s VAL 99 Ca 0.22 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1uqr s VAL 99 Cb -0.15 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.57 1uqr s VAL 99 CO 0.10 0.01 0.01 -1.00 0.00 0.00 0.00 175.10 174.22 1uqr s HIS 100 N -0.63 0.08 0.04 5.22 3.76 -0.55 -4.08 115.29 119.13 1uqr s HIS 100 Ca -0.00 0.05 -0.24 0.00 -0.15 0.00 0.00 55.06 54.72 1uqr s HIS 100 Cb -0.06 -0.18 -0.17 0.00 1.11 0.00 0.00 32.58 33.29 1uqr s HIS 100 CO 0.00 -0.06 1.51 -0.07 -0.85 0.00 0.00 174.74 175.28 1uqr h LEU 101 N 6.81 0.03-10.41 0.89 3.38 -1.88 -2.01 115.31 112.12 1uqr h LEU 101 Ca -0.37 -0.24 -0.46 0.00 0.09 0.00 0.00 57.88 56.90 1uqr h LEU 101 Cb 1.16 -0.01 0.04 0.00 0.09 0.00 0.00 40.66 41.94 1uqr h LEU 101 CO 0.49 0.27 -0.01 -0.94 0.09 0.00 0.00 178.44 178.33 1uqr s SER 102 N -5.47 5.62 -0.67 -0.43 1.04 -1.26 -1.21 113.70 111.32 1uqr s SER 102 Ca -0.14 0.31 -0.24 0.00 0.48 0.00 0.00 55.95 56.36 1uqr s SER 102 Cb 0.04 -1.41 0.05 0.00 0.10 0.00 0.00 66.02 64.81 1uqr s SER 102 CO 0.67 -0.90 1.07 0.21 0.98 0.00 0.00 173.24 175.27 1uqr s ASN 103 N -4.29 6.19 0.56 7.02 3.84 -1.26 -2.26 114.94 124.74 1uqr s ASN 103 Ca 0.52 -0.71 0.23 0.00 0.21 0.00 0.00 52.86 53.11 1uqr s ASN 103 Cb -0.10 -2.47 1.56 0.00 -0.55 0.00 0.00 41.25 39.69 1uqr s ASN 103 CO 0.40 -1.55 2.21 -0.37 -2.79 0.00 0.00 177.10 174.99 1uqr h VAL 104 N 6.00 0.75 0.00 -5.21 -1.51 -1.91 -1.80 116.25 112.58 1uqr h VAL 104 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 1uqr h VAL 104 Cb 1.06 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1uqr h VAL 104 CO 1.21 0.00 0.00 0.45 -1.23 0.00 0.00 177.57 178.00 1uqr h HIS 105 N 0.00 0.00 -0.06 5.19 3.86 -1.90 -2.89 115.15 119.34 1uqr h HIS 105 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1uqr h HIS 105 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1uqr h HIS 105 CO 0.00 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.79 1uqr n ALA 106 N -1.95 2.51 -2.21 2.45 0.00 -0.68 -4.94 120.51 115.71 1uqr n ALA 106 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1uqr n ALA 106 Cb 0.33 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1uqr n ALA 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uqr n ARG 107 N 0.75 3.25 -1.70 0.00 1.74 -1.09 -5.07 116.66 114.54 1uqr n ARG 107 Ca 0.17 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.88 1uqr n ARG 107 Cb 0.47 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.97 1uqr n ARG 107 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1uqr n GLU 108 N 0.00 1.11 -0.19 5.56 4.71 -1.26 -4.89 120.64 125.68 1uqr n GLU 108 Ca 0.00 0.43 0.18 0.00 -0.01 0.00 0.00 57.16 57.76 1uqr n GLU 108 Cb 0.00 -2.45 0.53 0.00 -1.01 0.00 0.00 31.44 28.50 1uqr n GLU 108 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 1uqr h PRO 109 N 0.59 0.36 0.00 3.49 0.11 -1.95 -0.76 132.00 133.84 1uqr h PRO 109 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1uqr h PRO 109 Cb 1.34 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1uqr h PRO 109 CO 0.53 0.24 0.00 0.27 -0.21 0.00 0.00 178.00 178.83 1uqr h PHE 110 N 0.37 0.00 -0.02 0.65 -5.15 -1.97 -1.05 116.94 109.78 1uqr h PHE 110 Ca 0.41 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.18 1uqr h PHE 110 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.21 1uqr h PHE 110 CO -0.00 0.00 -0.00 0.54 -2.00 0.00 0.00 178.31 176.84 1uqr n ARG 111 N -2.38 1.71 0.03 6.09 1.74 -0.29 -3.96 116.66 119.61 1uqr n ARG 111 Ca 0.00 -1.05 0.13 0.00 -0.77 0.00 0.00 57.85 56.17 1uqr n ARG 111 Cb 0.16 -1.48 0.54 0.00 -1.02 0.00 0.00 32.46 30.67 1uqr n ARG 111 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1uqr n HIS 112 N 0.27 0.26 -4.76 -1.55 8.25 -0.40 -4.69 115.22 112.61 1uqr n HIS 112 Ca 0.18 0.08 -0.33 0.00 -0.26 0.00 0.00 57.72 57.39 1uqr n HIS 112 Cb 0.38 -0.63 -0.13 0.00 1.12 0.00 0.00 29.99 30.74 1uqr n HIS 112 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1uqr s HIS 113 N -3.03 2.81 -0.04 4.41 5.65 -1.25 -5.02 115.29 118.81 1uqr s HIS 113 Ca 0.13 -0.18 0.04 0.00 0.25 0.00 0.00 55.06 55.30 1uqr s HIS 113 Cb 0.17 -1.70 -0.00 0.00 -1.18 0.00 0.00 32.58 29.86 1uqr s HIS 113 CO 0.53 0.16 -0.15 0.45 -0.65 0.00 0.00 174.74 175.09 1uqr s SER 114 N -0.54 1.89 0.00 9.88 0.15 -1.26 -4.10 113.70 119.72 1uqr s SER 114 Ca 0.08 -0.31 0.20 0.00 0.70 0.00 0.00 55.95 56.61 1uqr s SER 114 Cb -0.12 -0.53 0.87 0.00 -1.71 0.00 0.00 66.02 64.53 1uqr s SER 114 CO 0.02 0.13 1.60 -1.22 1.20 0.00 0.00 173.24 174.96 1uqr n TYR 115 N 3.20 0.13 -0.02 3.44 4.01 0.00 -4.00 117.16 123.93 1uqr n TYR 115 Ca -0.18 -0.07 -0.02 0.00 -0.16 0.00 0.00 57.90 57.47 1uqr n TYR 115 Cb 0.53 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.53 1uqr n TYR 115 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1uqr n LEU 116 N -0.11 0.76 -0.30 7.72 4.77 -1.26 -4.72 117.00 123.85 1uqr n LEU 116 Ca 0.15 -0.01 0.12 0.00 -0.03 0.00 0.00 56.01 56.24 1uqr n LEU 116 Cb 0.22 0.03 0.29 0.00 -2.33 0.00 0.00 43.42 41.63 1uqr n LEU 116 CO 0.12 0.22 1.05 0.28 -1.33 0.00 0.00 177.39 177.72 1uqr h SER 117 N 0.00 0.34 1.05 -1.43 0.02 -1.94 -0.99 113.55 110.60 1uqr h SER 117 Ca -0.10 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1uqr h SER 117 Cb 1.21 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1uqr h SER 117 CO -0.00 0.03 0.00 -2.24 -1.14 0.00 0.00 176.83 173.48 1uqr h ASP 118 N 0.42 0.00 -0.01 3.07 -0.00 -1.88 -3.08 116.42 114.95 1uqr h ASP 118 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.57 1uqr h ASP 118 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.32 1uqr h ASP 118 CO -0.51 0.00 -0.05 1.33 -0.00 0.00 0.00 179.24 180.01 1uqr n VAL 119 N -2.94 0.00 -2.01 4.15 0.24 -0.51 -5.00 118.33 112.27 1uqr n VAL 119 Ca 0.01 -0.48 -0.31 0.00 -2.04 0.00 0.00 64.34 61.52 1uqr n VAL 119 Cb 0.31 1.22 -0.00 0.00 -1.47 0.00 0.00 33.84 33.90 1uqr n VAL 119 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uqr s ALA 120 N -1.07 3.09 0.17 2.33 0.00 -0.50 -4.84 121.76 120.94 1uqr s ALA 120 Ca 0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.01 1uqr s ALA 120 Cb 0.09 -3.09 0.04 0.00 0.00 0.00 0.00 23.12 20.17 1uqr s ALA 120 CO 0.17 -0.57 1.46 -0.22 0.00 0.00 0.00 175.76 176.61 1uqr h LYS 121 N 0.01 0.65 -2.79 0.00 1.63 -1.14 -3.48 116.57 111.45 1uqr h LYS 121 Ca -0.45 -0.42 0.08 0.00 -0.85 0.00 0.00 60.65 59.01 1uqr h LYS 121 Cb 1.19 0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.83 1uqr h LYS 121 CO 0.62 1.04 0.35 0.20 -3.45 0.00 0.00 179.45 178.20 1uqr s GLY 122 N -4.09 0.04 -0.02 5.01 0.00 -1.26 -5.06 107.32 101.93 1uqr s GLY 122 Ca -0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 44.72 44.28 1uqr s GLY 122 CO 0.86 0.20 0.05 0.14 0.00 0.00 0.00 173.10 174.34 1uqr s VAL 123 N -3.08 -0.01 -0.09 1.40 1.01 -1.26 -1.66 120.40 116.71 1uqr s VAL 123 Ca 0.14 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.15 1uqr s VAL 123 Cb -0.04 -0.08 0.02 0.00 0.00 0.00 0.00 36.38 36.28 1uqr s VAL 123 CO 0.07 0.01 -0.11 -0.63 0.00 0.00 0.00 175.10 174.44 1uqr s ILE 124 N 0.13 1.13 -0.06 2.22 1.01 -0.37 -4.98 121.20 120.28 1uqr s ILE 124 Ca -0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 1uqr s ILE 124 Cb -0.01 -1.07 0.03 0.00 0.01 0.00 0.00 42.46 41.41 1uqr s ILE 124 CO -0.00 0.37 0.13 0.00 0.00 0.00 0.00 174.94 175.44 1uqr n GLY 126 N 3.70 0.59 1.62 0.00 0.00 -0.75 -4.73 105.19 105.61 1uqr n GLY 126 Ca -0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.90 1uqr n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uqr n LEU 127 N 0.00 4.84 0.00 0.99 4.77 -1.18 -4.65 117.00 121.77 1uqr n LEU 127 Ca 0.00 -2.45 0.00 0.00 -0.03 0.00 0.00 56.01 53.53 1uqr n LEU 127 Cb 0.00 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1uqr n LEU 127 CO 0.00 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1uqr n GLY 128 N 0.94 1.30 0.29 -0.72 0.00 -0.35 -2.96 105.19 103.69 1uqr n GLY 128 Ca 0.25 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.78 1uqr n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uqr h ALA 129 N -0.97 2.01 0.00 4.61 0.00 -1.94 -1.98 119.26 120.99 1uqr h ALA 129 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1uqr h ALA 129 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1uqr h ALA 129 CO 0.00 -0.04 -0.09 0.87 0.00 0.00 0.00 179.25 179.99 1uqr h LYS 130 N 0.11 0.00 -0.73 0.00 1.57 -1.96 -1.87 116.57 113.68 1uqr h LYS 130 Ca 0.07 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1uqr h LYS 130 Cb 0.14 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 1uqr h LYS 130 CO -0.01 0.09 0.48 0.78 -0.57 0.00 0.00 179.45 180.22 1uqr h GLY 131 N 0.58 1.01 1.27 3.86 0.00 -1.39 -0.90 103.07 107.50 1uqr h GLY 131 Ca -0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 1uqr h GLY 131 CO 0.01 0.31 -0.12 -0.97 0.00 0.00 0.00 176.54 175.77 1uqr h TYR 132 N 0.89 0.95 -0.36 5.60 0.05 -1.50 -1.38 116.97 121.23 1uqr h TYR 132 Ca 0.29 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1uqr h TYR 132 Cb 0.05 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.54 1uqr h TYR 132 CO -0.00 0.92 0.23 -0.44 -1.05 0.00 0.00 178.16 177.82 1uqr h ASP 133 N 0.77 0.42 -0.27 3.88 3.45 -1.20 -1.72 116.42 121.74 1uqr h ASP 133 Ca 0.12 -0.03 -0.11 0.00 0.43 0.00 0.00 57.03 57.44 1uqr h ASP 133 Cb 0.63 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.28 1uqr h ASP 133 CO 0.04 0.32 -0.21 1.88 -1.57 0.00 0.00 179.24 179.71 1uqr h TYR 134 N 0.47 0.83 -0.75 4.55 0.05 -1.14 -2.10 116.97 118.87 1uqr h TYR 134 Ca 0.13 -0.18 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 1uqr h TYR 134 Cb -0.03 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.48 1uqr h TYR 134 CO -0.05 0.88 0.41 0.00 -1.05 0.00 0.00 178.16 178.35 1uqr h ALA 135 N 1.12 1.30 -0.33 3.88 0.00 -0.95 -1.00 119.26 123.30 1uqr h ALA 135 Ca 0.09 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1uqr h ALA 135 Cb 0.70 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1uqr h ALA 135 CO 0.05 0.57 -0.14 1.25 0.00 0.00 0.00 179.25 180.98 1uqr h LEU 136 N 1.05 0.68 -0.50 0.00 5.85 -1.04 -1.28 115.31 120.08 1uqr h LEU 136 Ca 0.27 -0.40 0.08 0.00 0.84 0.00 0.00 57.88 58.67 1uqr h LEU 136 Cb 0.03 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 1uqr h LEU 136 CO -0.04 0.93 0.14 0.44 -0.34 0.00 0.00 178.44 179.56 1uqr h ASP 137 N 0.44 0.10 -0.14 1.25 3.32 -0.80 -1.19 116.42 119.39 1uqr h ASP 137 Ca 0.08 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1uqr h ASP 137 Cb 0.66 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1uqr h ASP 137 CO 0.04 0.08 0.09 0.15 -1.72 0.00 0.00 179.24 177.88 1uqr h PHE 138 N 0.30 0.19 -0.41 4.55 3.57 -1.04 -0.65 116.94 123.45 1uqr h PHE 138 Ca 0.25 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.82 1uqr h PHE 138 Cb 0.30 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.91 1uqr h PHE 138 CO -0.19 0.15 0.01 0.00 -2.23 0.00 0.00 178.31 176.05 1uqr h ALA 139 N 1.02 0.38 -0.80 2.41 0.00 -0.59 0.17 119.26 121.86 1uqr h ALA 139 Ca 0.05 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1uqr h ALA 139 Cb 0.02 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1uqr h ALA 139 CO -0.01 -0.39 0.32 0.82 0.00 0.00 0.00 179.25 179.99 1uqr h ILE 140 N 0.12 1.26 -0.59 0.00 2.04 -1.05 -1.47 117.51 117.80 1uqr h ILE 140 Ca 0.20 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.25 1uqr h ILE 140 Cb 0.28 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1uqr h ILE 140 CO -0.33 0.34 0.38 -1.28 0.00 0.00 0.00 178.15 177.26 1uqr h SER 141 N 1.16 0.65 -0.25 1.72 0.87 0.26 -2.54 113.55 115.42 1uqr h SER 141 Ca 0.27 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.73 1uqr h SER 141 Cb 0.22 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1uqr h SER 141 CO -0.02 0.47 -0.14 -0.33 -0.53 0.00 0.00 176.83 176.28 1uqr h GLU 142 N 0.77 0.67 0.00 2.24 4.39 -0.28 -2.52 114.58 119.85 1uqr h GLU 142 Ca 0.23 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1uqr h GLU 142 Cb -0.05 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1uqr h GLU 142 CO -0.07 0.78 0.00 1.28 -1.16 0.00 0.00 179.01 179.84 1uqr n LEU 143 N -4.16 0.00 -0.09 1.33 4.77 -0.59 -3.41 117.00 114.84 1uqr n LEU 143 Ca 0.01 0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 1uqr n LEU 143 Cb 0.36 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 1uqr n LEU 143 CO 0.42 -0.02 -1.07 0.00 -1.33 0.00 0.00 177.39 175.40 1uqr n GLN 144 N -1.07 0.85 0.00 3.23 6.02 -0.97 -4.16 117.38 121.27 1uqr n GLN 144 Ca 0.17 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 1uqr n GLN 144 Cb 0.11 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.00 1uqr n GLN 144 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1uqr n LYS 145 N -2.88 0.00 0.00 -1.09 2.85 -1.10 -5.13 118.16 110.81 1uqr n LYS 145 Ca -0.30 0.01 0.02 0.00 -1.05 0.00 0.00 58.31 56.99 1uqr n LYS 145 Cb 0.90 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.79 1uqr n LYS 145 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46