#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 4.12 -0.02 2.12 -0.14 -1.26 -4.93 119.74 119.63 1uqr s LYS 2 Ca 0.00 1.12 0.04 0.00 -1.36 0.00 0.00 55.97 55.78 1uqr s LYS 2 Cb 0.00 -2.16 -0.01 0.00 -1.68 0.00 0.00 37.83 33.98 1uqr s LYS 2 CO 0.00 -0.13 -0.14 0.21 -0.76 0.00 0.00 175.35 174.53 1uqr s LYS 3 N -3.34 1.25 -0.04 1.68 2.20 -1.26 -1.77 119.74 118.47 1uqr s LYS 3 Ca 0.62 -0.50 0.06 0.00 -0.36 0.00 0.00 55.97 55.79 1uqr s LYS 3 Cb -0.10 -1.18 -0.02 0.00 -1.51 0.00 0.00 37.83 35.02 1uqr s LYS 3 CO 0.17 0.27 -0.22 0.42 -0.36 0.00 0.00 175.35 175.63 1uqr s ILE 4 N -0.19 2.35 -0.17 5.43 1.01 0.14 -0.52 121.20 129.25 1uqr s ILE 4 Ca 0.03 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 1uqr s ILE 4 Cb -0.07 -1.85 -0.00 0.00 0.01 0.00 0.00 42.46 40.54 1uqr s ILE 4 CO 0.00 0.58 -0.12 -0.22 0.00 0.00 0.00 174.94 175.18 1uqr s LEU 5 N -0.55 2.64 -0.25 2.97 2.96 -0.37 -1.39 118.68 124.69 1uqr s LEU 5 Ca 0.08 -0.43 -0.13 0.00 -0.22 0.00 0.00 54.13 53.44 1uqr s LEU 5 Cb -0.11 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1uqr s LEU 5 CO 0.00 0.06 0.27 -0.22 -1.32 0.00 0.00 176.35 175.15 1uqr s LEU 6 N 0.95 4.08 -0.07 -0.68 2.96 0.34 -1.33 118.68 124.94 1uqr s LEU 6 Ca -0.02 0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.15 1uqr s LEU 6 Cb -0.15 -2.27 -0.01 0.00 0.50 0.00 0.00 46.19 44.26 1uqr s LEU 6 CO -0.01 -0.05 -0.24 -0.76 -1.32 0.00 0.00 176.35 173.96 1uqr s LEU 7 N 1.53 2.06 -0.04 -0.68 1.43 0.52 -1.14 118.68 122.36 1uqr s LEU 7 Ca 0.12 -0.52 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 1uqr s LEU 7 Cb -0.15 -1.36 -0.00 0.00 0.03 0.00 0.00 46.19 44.71 1uqr s LEU 7 CO 0.08 0.21 -0.16 0.20 0.23 0.00 0.00 176.35 176.91 1uqr s ASN 8 N 0.01 2.05 0.09 2.29 0.01 -0.44 -1.14 114.94 117.80 1uqr s ASN 8 Ca -0.08 -0.34 0.00 0.00 -0.71 0.00 0.00 52.86 51.73 1uqr s ASN 8 Cb -0.15 -0.60 0.00 0.00 0.41 0.00 0.00 41.25 40.91 1uqr s ASN 8 CO 0.05 0.14 0.00 0.61 -1.51 0.00 0.00 177.10 176.39 1uqr n GLY 9 N 3.21 0.35 3.64 0.66 0.00 0.15 -2.61 105.19 110.59 1uqr n GLY 9 Ca -0.18 -1.81 -0.44 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.16 1.69 -0.19 1.61 -0.04 -1.03 -2.94 135.00 133.94 1uqr n PRO 10 Ca 0.00 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1uqr n PRO 10 Cb 0.00 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 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 1.01 0.00 0.30 3.54 3.02 -1.26 -4.46 115.26 117.41 1uqr n ASN 11 Ca 0.07 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.81 1uqr n ASN 11 Cb 0.34 -0.83 0.92 0.00 -0.61 0.00 0.00 39.78 39.59 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 -0.44 3.41 -0.00 -1.90 -1.08 115.31 115.29 1uqr h LEU 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1uqr h LEU 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1uqr h LEU 12 CO 0.00 0.02 0.00 -0.46 -0.00 0.00 0.00 178.44 178.00 1uqr n ASN 13 N -3.19 0.38 -0.20 -0.43 0.23 -1.26 -2.24 115.26 108.55 1uqr n ASN 13 Ca -0.01 0.60 0.14 0.00 -0.53 0.00 0.00 54.58 54.78 1uqr n ASN 13 Cb 0.20 -0.68 0.60 0.00 -2.08 0.00 0.00 39.78 37.82 1uqr n ASN 13 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1uqr n MET 14 N -1.93 0.97 -1.67 -3.83 2.81 -0.41 -4.77 117.12 108.29 1uqr n MET 14 Ca 0.02 -0.40 -0.45 0.00 -1.81 0.00 0.00 57.70 55.06 1uqr n MET 14 Cb 0.19 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 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 -0.67 3.13 0.00 4.03 4.77 -0.95 -1.63 117.00 125.68 1uqr n LEU 15 Ca 0.16 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.28 1uqr n LEU 15 Cb 0.28 -1.43 0.00 0.00 -2.33 0.00 0.00 43.42 39.94 1uqr n LEU 15 CO 0.22 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.45 1uqr n GLY 16 N 2.37 1.45 0.08 -0.72 0.00 -1.10 -4.11 105.19 103.15 1uqr n GLY 16 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 1uqr n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uqr h LYS 17 N 1.65 0.00 -0.22 1.61 1.79 -1.62 -3.46 116.57 116.33 1uqr h LYS 17 Ca 0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 1uqr h LYS 17 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1uqr h LYS 17 CO 0.00 0.57 -0.42 0.00 -1.08 0.00 0.00 179.45 178.52 1uqr h ARG 18 N 0.00 0.52 -0.00 3.15 3.08 -1.88 -3.53 114.38 115.72 1uqr h ARG 18 Ca -0.22 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1uqr h ARG 18 Cb 1.93 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.99 1uqr h ARG 18 CO 0.09 0.85 -0.23 -1.13 -1.07 0.00 0.00 179.97 178.47 1uqr n SER 25 N -4.02 0.62 -4.75 7.04 3.41 -1.26 -5.14 113.62 109.52 1uqr n SER 25 Ca -0.02 -0.81 -0.41 0.00 -0.26 0.00 0.00 58.87 57.37 1uqr n SER 25 Cb 0.52 0.76 -0.02 0.00 -0.26 0.00 0.00 64.21 65.21 1uqr n SER 25 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1uqr s GLN 26 N -1.37 4.18 0.49 4.33 0.74 -1.26 -4.71 119.66 122.05 1uqr s GLN 26 Ca 0.04 2.47 0.07 0.00 0.05 0.00 0.00 55.36 57.99 1uqr s GLN 26 Cb 0.05 -3.06 0.02 0.00 1.10 0.00 0.00 33.01 31.12 1uqr s GLN 26 CO 0.23 -0.56 0.45 0.95 -0.55 0.00 0.00 175.29 175.80 1uqr s THR 27 N 0.10 2.19 0.20 -0.34 -4.23 -1.26 -2.71 115.64 109.58 1uqr s THR 27 Ca 0.63 -1.35 -0.08 0.00 -1.18 0.00 0.00 61.69 59.71 1uqr s THR 27 Cb -0.46 -2.54 0.11 0.00 1.34 0.00 0.00 72.50 70.95 1uqr s THR 27 CO 0.45 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.49 1uqr h LEU 28 N 0.80 1.05 -0.91 4.79 5.85 -1.79 -2.57 115.31 122.53 1uqr h LEU 28 Ca -0.38 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.10 1uqr h LEU 28 Cb 1.28 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1uqr h LEU 28 CO 0.55 1.03 0.54 -1.28 -0.34 0.00 0.00 178.44 178.94 1uqr h SER 29 N 1.04 1.10 -0.51 1.25 0.87 -1.93 0.29 113.55 115.65 1uqr h SER 29 Ca 0.21 -0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1uqr h SER 29 Cb 0.41 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1uqr h SER 29 CO 0.01 0.85 0.31 0.44 -0.53 0.00 0.00 176.83 177.90 1uqr h ASP 30 N 1.25 0.50 -0.25 6.23 3.32 -1.86 -0.36 116.42 125.26 1uqr h ASP 30 Ca 0.33 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 1uqr h ASP 30 Cb -0.04 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1uqr h ASP 30 CO -0.06 0.36 0.02 0.40 -1.72 0.00 0.00 179.24 178.23 1uqr h ILE 31 N 0.62 1.25 -0.15 0.35 2.04 -1.11 -0.80 117.51 119.70 1uqr h ILE 31 Ca 0.20 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.23 1uqr h ILE 31 Cb 0.01 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1uqr h ILE 31 CO -0.09 0.27 -0.01 -0.33 0.00 0.00 0.00 178.15 177.99 1uqr h GLU 32 N 0.23 0.03 -0.60 2.37 5.08 -0.69 -0.65 114.58 120.34 1uqr h GLU 32 Ca 0.07 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1uqr h GLU 32 Cb 0.38 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1uqr h GLU 32 CO 0.01 0.02 0.09 1.96 -1.00 0.00 0.00 179.01 180.08 1uqr h GLN 33 N 0.03 1.01 -0.18 2.33 1.08 -1.05 -1.27 115.11 117.06 1uqr h GLN 33 Ca 0.07 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 57.00 1uqr h GLN 33 Cb 0.10 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1uqr h GLN 33 CO -0.13 0.95 0.12 1.25 -0.95 0.00 0.00 178.83 180.06 1uqr h HIS 34 N 0.91 0.23 -0.52 2.96 2.76 -0.87 -0.85 115.15 119.76 1uqr h HIS 34 Ca 0.18 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.28 1uqr h HIS 34 Cb 0.44 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 1uqr h HIS 34 CO 0.03 0.15 0.04 1.25 -1.30 0.00 0.00 177.93 178.10 1uqr h LEU 35 N 0.24 0.87 -0.48 0.26 5.85 -1.02 -0.83 115.31 120.20 1uqr h LEU 35 Ca 0.07 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 1uqr h LEU 35 Cb -0.02 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 1uqr h LEU 35 CO -0.01 0.94 0.20 -0.61 -0.34 0.00 0.00 178.44 178.62 1uqr h GLN 36 N 0.77 0.71 -0.59 1.25 4.15 -1.08 -0.73 115.11 119.59 1uqr h GLN 36 Ca 0.15 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 1uqr h GLN 36 Cb 0.47 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1uqr h GLN 36 CO 0.02 0.63 0.10 1.96 -1.93 0.00 0.00 178.83 179.60 1uqr h GLN 37 N 0.63 0.94 -0.29 1.69 4.20 -1.03 -1.03 115.11 120.22 1uqr h GLN 37 Ca 0.16 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1uqr h GLN 37 Cb 0.18 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1uqr h GLN 37 CO -0.01 0.87 0.03 1.03 -0.67 0.00 0.00 178.83 180.07 1uqr h SER 38 N 0.89 0.47 -0.18 1.46 0.87 -0.78 -1.75 113.55 114.53 1uqr h SER 38 Ca 0.18 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 1uqr h SER 38 Cb 0.39 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1uqr h SER 38 CO 0.01 0.64 0.03 0.00 -0.53 0.00 0.00 176.83 176.97 1uqr h ALA 39 N 0.86 0.23 -0.93 6.23 0.00 -1.00 -3.05 119.26 121.60 1uqr h ALA 39 Ca 0.09 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1uqr h ALA 39 Cb 0.38 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1uqr h ALA 39 CO 0.01 -0.10 0.61 1.96 0.00 0.00 0.00 179.25 181.74 1uqr h GLN 40 N 0.08 1.21 0.00 0.00 4.20 -0.74 -0.31 115.11 119.55 1uqr h GLN 40 Ca 0.05 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1uqr h GLN 40 Cb 0.31 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1uqr h GLN 40 CO 0.00 0.80 0.00 0.00 -0.67 0.00 0.00 178.83 178.96 1uqr h ALA 41 N 1.43 1.00 -0.35 3.87 0.00 -1.24 -0.87 119.26 123.10 1uqr h ALA 41 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1uqr h ALA 41 Cb -0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1uqr h ALA 41 CO -0.08 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.21 1uqr n GLN 42 N -3.03 2.45 -0.56 0.00 6.02 -0.27 -4.95 117.38 117.04 1uqr n GLN 42 Ca -0.01 -2.23 0.00 0.00 -0.01 0.00 0.00 57.00 54.75 1uqr n GLN 42 Cb 0.16 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.93 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 1.44 0.68 3.34 1.08 0.00 -0.33 -5.07 105.19 106.33 1uqr n GLY 43 Ca 0.18 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 2.62 0.28 1.61 2.02 -0.38 -4.68 117.35 116.81 1uqr s TYR 44 Ca 0.00 -0.59 -0.26 0.00 -0.37 0.00 0.00 57.07 55.85 1uqr s TYR 44 Cb 0.00 -1.69 -0.09 0.00 -0.40 0.00 0.00 41.96 39.78 1uqr s TYR 44 CO 0.00 -0.13 0.90 -2.00 -1.57 0.00 0.00 175.55 172.75 1uqr s GLU 45 N -0.11 4.62 -0.04 -0.62 2.12 -0.73 -2.27 118.70 121.68 1uqr s GLU 45 Ca -0.03 1.30 -0.01 0.00 0.36 0.00 0.00 54.97 56.59 1uqr s GLU 45 Cb -0.14 -2.97 0.03 0.00 0.26 0.00 0.00 34.13 31.31 1uqr s GLU 45 CO 0.04 0.38 0.06 -1.17 -0.54 0.00 0.00 175.26 174.04 1uqr s LEU 46 N -1.74 0.59 0.18 2.70 0.20 -1.26 -0.68 118.68 118.67 1uqr s LEU 46 Ca 0.46 0.11 0.06 0.00 0.69 0.00 0.00 54.13 55.44 1uqr s LEU 46 Cb -0.21 -0.02 -0.04 0.00 -0.43 0.00 0.00 46.19 45.50 1uqr s LEU 46 CO 0.26 -0.19 0.11 -1.81 -0.29 0.00 0.00 176.35 174.43 1uqr s ASP 47 N 1.60 5.34 0.05 3.68 1.01 -0.48 -4.90 116.67 122.96 1uqr s ASP 47 Ca -0.03 -0.21 0.01 0.00 0.71 0.00 0.00 52.55 53.03 1uqr s ASP 47 Cb -0.12 -1.33 -0.03 0.00 1.01 0.00 0.00 42.92 42.44 1uqr s ASP 47 CO -0.04 0.06 -0.06 -0.72 0.21 0.00 0.00 175.17 174.63 1uqr s TYR 48 N -1.79 0.60 -0.09 4.23 -0.85 -1.26 -0.50 117.35 117.68 1uqr s TYR 48 Ca 0.30 -0.67 -0.27 0.00 -0.52 0.00 0.00 57.07 55.91 1uqr s TYR 48 Cb -0.10 -0.37 0.06 0.00 0.38 0.00 0.00 41.96 41.93 1uqr s TYR 48 CO 0.22 -0.16 0.63 0.12 -1.52 0.00 0.00 175.55 174.84 1uqr s PHE 49 N -2.22 -0.61 -0.06 -3.49 5.36 -0.29 -4.95 117.98 111.72 1uqr s PHE 49 Ca -0.05 1.17 -0.07 0.00 -0.96 0.00 0.00 56.93 57.03 1uqr s PHE 49 Cb -0.04 0.33 0.02 0.00 -0.34 0.00 0.00 43.02 42.98 1uqr s PHE 49 CO -0.02 -0.52 0.18 -1.14 -1.46 0.00 0.00 175.22 172.26 1uqr s GLN 50 N -0.83 0.25 0.14 10.12 -0.44 -1.26 -1.33 119.66 126.30 1uqr s GLN 50 Ca -0.09 0.19 -0.20 0.00 -2.50 0.00 0.00 55.36 52.76 1uqr s GLN 50 Cb -0.02 0.12 0.05 0.00 -1.64 0.00 0.00 33.01 31.52 1uqr s GLN 50 CO 0.07 -0.04 0.51 0.00 0.50 0.00 0.00 175.29 176.33 1uqr s ALA 51 N -0.07 -1.29 -0.63 1.58 0.00 -1.07 -5.00 121.76 115.28 1uqr s ALA 51 Ca -0.02 0.26 0.16 0.00 0.00 0.00 0.00 51.96 52.36 1uqr s ALA 51 Cb -0.02 0.78 0.66 0.00 0.00 0.00 0.00 23.12 24.54 1uqr s ALA 51 CO 0.00 -0.70 1.58 0.09 0.00 0.00 0.00 175.76 176.73 1uqr n ASN 52 N -0.27 4.64 -3.99 0.00 3.02 -1.26 -2.46 115.26 114.94 1uqr n ASN 52 Ca -0.17 -2.68 -0.09 0.00 -0.03 0.00 0.00 54.58 51.62 1uqr n ASN 52 Cb 0.64 -0.57 -0.10 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.14 0.28 0.17 7.41 0.00 -1.26 -4.75 107.32 108.02 1uqr s GLY 53 Ca 0.47 -0.75 -0.11 0.00 0.00 0.00 0.00 44.72 44.33 1uqr s GLY 53 CO 0.17 -0.86 1.66 0.83 0.00 0.00 0.00 173.10 174.91 1uqr h GLU 54 N 3.87 0.95 -0.04 2.90 5.08 -1.99 -2.69 114.58 122.65 1uqr h GLU 54 Ca -0.33 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 57.80 1uqr h GLU 54 Cb 1.18 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1uqr h GLU 54 CO 0.52 0.90 -0.04 1.49 -1.00 0.00 0.00 179.01 180.87 1uqr h GLU 55 N 0.85 -0.05 -0.45 2.33 4.81 -1.98 0.17 114.58 120.25 1uqr h GLU 55 Ca 0.18 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1uqr h GLU 55 Cb 0.40 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1uqr h GLU 55 CO 0.01 -0.04 0.26 0.77 -0.73 0.00 0.00 179.01 179.28 1uqr h SER 56 N -0.06 0.41 -0.38 1.04 0.02 -1.99 0.20 113.55 112.81 1uqr h SER 56 Ca 0.03 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.92 1uqr h SER 56 Cb 0.10 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1uqr h SER 56 CO -0.07 0.30 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.80 1uqr h LEU 57 N 0.52 0.69 -0.63 5.07 3.38 -1.24 -2.14 115.31 120.97 1uqr h LEU 57 Ca 0.18 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1uqr h LEU 57 Cb 0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1uqr h LEU 57 CO -0.09 0.87 0.20 0.40 0.09 0.00 0.00 178.44 179.90 1uqr h ILE 58 N 0.50 1.25 -0.79 1.22 2.04 -0.49 -0.93 117.51 120.31 1uqr h ILE 58 Ca 0.10 -0.84 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 1uqr h ILE 58 Cb 0.54 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1uqr h ILE 58 CO 0.03 0.32 0.35 0.78 0.00 0.00 0.00 178.15 179.63 1uqr h ASN 59 N 0.90 1.06 -0.32 1.72 2.35 -0.87 -0.82 115.58 119.59 1uqr h ASN 59 Ca 0.20 -0.14 -0.10 0.00 -0.55 0.00 0.00 56.30 55.71 1uqr h ASN 59 Cb 0.29 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1uqr h ASN 59 CO -0.01 0.91 -0.14 -0.09 -1.65 0.00 0.00 177.43 176.45 1uqr h ARG 60 N 1.14 0.77 -0.36 0.81 9.65 -1.00 -1.02 114.38 124.37 1uqr h ARG 60 Ca 0.27 -0.27 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 1uqr h ARG 60 Cb 0.15 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 1uqr h ARG 60 CO -0.03 0.87 0.09 0.82 2.80 0.00 0.00 179.97 184.52 1uqr h ILE 61 N 0.69 1.22 -0.79 1.20 2.04 -0.63 -2.64 117.51 118.60 1uqr h ILE 61 Ca 0.11 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1uqr h ILE 61 Cb 0.63 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 1uqr h ILE 61 CO 0.04 0.26 0.46 0.45 0.00 0.00 0.00 178.15 179.36 1uqr h HIS 62 N 0.42 1.05 0.00 1.37 3.86 -0.95 -1.61 115.15 119.30 1uqr h HIS 62 Ca 0.11 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1uqr h HIS 62 Cb 0.30 -0.34 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 1uqr h HIS 62 CO 0.02 0.71 -0.03 1.96 0.86 0.00 0.00 177.93 181.44 1uqr h GLN 63 N 1.09 0.00 0.00 2.45 4.20 -0.88 -1.95 115.11 120.02 1uqr h GLN 63 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1uqr h GLN 63 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1uqr h GLN 63 CO -0.05 0.03 -0.23 0.00 -0.67 0.00 0.00 178.83 177.92 1uqr n ALA 64 N -2.16 2.58 -1.64 3.87 0.00 -0.61 -4.85 120.51 117.72 1uqr n ALA 64 Ca -0.02 -0.13 -0.51 0.00 0.00 0.00 0.00 53.44 52.79 1uqr n ALA 64 Cb 0.18 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.22 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 -2.04 1.87 -0.82 0.00 -0.00 -0.73 -1.85 117.46 113.89 1uqr n PHE 65 Ca 0.05 0.47 0.00 0.00 -0.00 0.00 0.00 57.45 57.97 1uqr n PHE 65 Cb 0.41 -2.44 0.00 0.00 -0.00 0.00 0.00 39.48 37.46 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 3.51 -0.29 0.00 -4.13 6.02 -1.26 -4.72 117.38 116.50 1uqr n GLN 66 Ca 0.19 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 1uqr n GLN 66 Cb 0.22 -3.67 0.00 0.00 1.02 0.00 0.00 30.24 27.81 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 -0.14 0.11 -4.37 1.08 0.23 -0.77 -5.06 115.26 106.34 1uqr n ASN 67 Ca 0.00 -0.42 -0.32 0.00 -0.53 0.00 0.00 54.58 53.31 1uqr n ASN 67 Cb 0.07 0.26 -0.15 0.00 -2.08 0.00 0.00 39.78 37.89 1uqr n ASN 67 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1uqr s THR 68 N -0.26 2.54 -0.45 5.53 2.01 -0.77 -4.60 115.64 119.62 1uqr s THR 68 Ca 0.00 -0.91 0.20 0.00 0.31 0.00 0.00 61.69 61.29 1uqr s THR 68 Cb 0.00 -1.96 -0.27 0.00 0.01 0.00 0.00 72.50 70.28 1uqr s THR 68 CO 0.00 0.58 0.63 0.47 -0.69 0.00 0.00 174.62 175.61 1uqr n ASP 69 N 2.65 0.61 -3.58 3.53 8.00 0.32 -4.94 116.55 123.14 1uqr n ASP 69 Ca -0.17 -0.46 -0.14 0.00 0.71 0.00 0.00 54.79 54.73 1uqr n ASP 69 Cb 0.52 1.50 -0.06 0.00 -0.02 0.00 0.00 41.12 43.05 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 -3.16 -0.65 -0.04 1.24 2.19 -1.20 -4.52 117.98 111.85 1uqr s PHE 70 Ca -0.00 1.38 0.06 0.00 0.33 0.00 0.00 56.93 58.69 1uqr s PHE 70 Cb 0.14 0.35 -0.01 0.00 -1.31 0.00 0.00 43.02 42.19 1uqr s PHE 70 CO 0.83 -0.44 -0.22 0.42 1.83 0.00 0.00 175.22 177.64 1uqr s ILE 71 N -0.39 1.80 -0.22 3.12 1.01 -0.44 -1.24 121.20 124.85 1uqr s ILE 71 Ca -0.04 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 1uqr s ILE 71 Cb -0.03 -1.52 0.01 0.00 0.01 0.00 0.00 42.46 40.94 1uqr s ILE 71 CO 0.03 0.51 -0.10 -0.63 0.00 0.00 0.00 174.94 174.75 1uqr s ILE 72 N -0.26 2.80 -0.04 2.92 1.01 -0.44 -1.45 121.20 125.73 1uqr s ILE 72 Ca 0.01 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1uqr s ILE 72 Cb -0.11 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.07 1uqr s ILE 72 CO 0.02 0.37 -0.07 -0.51 0.00 0.00 0.00 174.94 174.75 1uqr s ILE 73 N 1.37 0.71 -0.48 2.92 2.07 -0.36 -0.36 121.20 127.06 1uqr s ILE 73 Ca 0.03 -0.25 -0.01 0.00 -1.41 0.00 0.00 60.65 59.01 1uqr s ILE 73 Cb -0.15 -0.68 0.13 0.00 0.13 0.00 0.00 42.46 41.89 1uqr s ILE 73 CO -0.07 0.25 0.27 0.21 -1.91 0.00 0.00 174.94 173.69 1uqr s ASN 74 N 0.65 5.11 0.00 4.50 3.84 -0.29 -1.13 114.94 127.62 1uqr s ASN 74 Ca -0.10 -2.40 0.14 0.00 0.21 0.00 0.00 52.86 50.72 1uqr s ASN 74 Cb -0.13 -1.80 0.69 0.00 -0.55 0.00 0.00 41.25 39.46 1uqr s ASN 74 CO 0.01 -0.44 1.41 -2.65 -2.79 0.00 0.00 177.10 172.64 1uqr n PRO 75 N 4.07 0.15 0.00 0.43 -0.02 -1.26 0.30 135.00 138.67 1uqr n PRO 75 Ca 0.02 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1uqr n PRO 75 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 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 -0.06 2.54 0.31 -1.23 0.00 -1.26 -1.88 105.19 103.61 1uqr n GLY 76 Ca 0.06 -0.40 0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.92 1.56 0.00 4.61 0.00 -1.94 -2.46 119.26 120.10 1uqr h ALA 77 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uqr h ALA 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uqr h ALA 77 CO 0.00 -0.06 0.00 1.19 0.00 0.00 0.00 179.25 180.38 1uqr n PHE 78 N -3.81 0.43 0.12 0.00 3.72 -0.79 -2.06 117.46 115.07 1uqr n PHE 78 Ca -0.02 0.19 0.03 0.00 -0.05 0.00 0.00 57.45 57.61 1uqr n PHE 78 Cb 0.13 -0.81 0.43 0.00 -0.94 0.00 0.00 39.48 38.28 1uqr n PHE 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1uqr h THR 79 N 0.00 1.15 0.00 4.37 1.03 -1.57 -0.03 112.91 117.86 1uqr h THR 79 Ca 0.00 -0.62 0.00 0.00 -0.01 0.00 0.00 66.41 65.78 1uqr h THR 79 Cb 0.17 1.11 0.00 0.00 -1.07 0.00 0.00 68.15 68.36 1uqr h THR 79 CO 0.00 0.20 -0.72 0.45 -0.01 0.00 0.00 175.52 175.43 1uqr h HIS 80 N 0.23 0.00 0.00 0.00 3.86 -1.58 0.13 115.15 117.79 1uqr h HIS 80 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1uqr h HIS 80 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1uqr h HIS 80 CO 0.00 0.00 -0.74 0.25 0.86 0.00 0.00 177.93 178.30 1uqr n THR 81 N -2.11 0.00 -3.00 2.45 -2.24 -1.06 -4.79 114.28 103.53 1uqr n THR 81 Ca 0.03 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.37 1uqr n THR 81 Cb 0.44 0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.66 6.47 0.28 3.42 0.15 -0.05 -4.79 113.70 117.53 1uqr s SER 82 Ca 0.00 -1.81 0.13 0.00 0.70 0.00 0.00 55.95 54.96 1uqr s SER 82 Cb 0.00 -2.36 0.37 0.00 -1.71 0.00 0.00 66.02 62.32 1uqr s SER 82 CO 0.00 -1.08 1.60 0.58 1.20 0.00 0.00 173.24 175.54 1uqr h VAL 83 N 5.75 1.29 -0.54 4.45 2.07 -1.92 -2.99 116.25 124.35 1uqr h VAL 83 Ca -0.02 -2.10 -0.01 0.00 0.82 0.00 0.00 66.70 65.39 1uqr h VAL 83 Cb 1.05 2.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.97 1uqr h VAL 83 CO 1.08 0.57 0.30 0.00 0.02 0.00 0.00 177.57 179.54 1uqr h ALA 84 N 1.41 0.69 -0.35 1.67 0.00 -1.98 -1.09 119.26 119.61 1uqr h ALA 84 Ca -0.01 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1uqr h ALA 84 Cb 1.13 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1uqr h ALA 84 CO 0.08 0.20 -0.33 0.82 0.00 0.00 0.00 179.25 180.02 1uqr h ILE 85 N 0.72 1.28 -0.22 0.00 2.04 -1.93 -1.23 117.51 118.17 1uqr h ILE 85 Ca 0.19 -1.48 0.04 0.00 1.00 0.00 0.00 64.86 64.62 1uqr h ILE 85 Cb 0.04 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1uqr h ILE 85 CO -0.03 0.49 -0.06 -0.09 0.00 0.00 0.00 178.15 178.45 1uqr h ARG 86 N 0.64 -0.01 0.00 2.37 2.43 -1.32 -0.94 114.38 117.55 1uqr h ARG 86 Ca 0.07 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1uqr h ARG 86 Cb 0.86 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.41 1uqr h ARG 86 CO 0.08 -0.01 -0.27 -0.44 -1.51 0.00 0.00 179.97 177.81 1uqr h ASP 87 N -0.01 0.00 -0.23 -3.80 3.32 -0.98 -1.47 116.42 113.25 1uqr h ASP 87 Ca 0.11 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1uqr h ASP 87 Cb 0.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1uqr h ASP 87 CO -0.23 0.27 -0.17 0.00 -1.72 0.00 0.00 179.24 177.39 1uqr h ALA 88 N 1.73 0.33 -0.54 3.45 0.00 -0.47 -0.06 119.26 123.70 1uqr h ALA 88 Ca -0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 1uqr h ALA 88 Cb 0.49 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1uqr h ALA 88 CO 0.04 0.23 0.13 -0.07 0.00 0.00 0.00 179.25 179.58 1uqr h LEU 89 N 0.22 0.77 -0.49 0.00 3.38 -0.85 -2.43 115.31 115.91 1uqr h LEU 89 Ca 0.04 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 1uqr h LEU 89 Cb 0.70 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1uqr h LEU 89 CO 0.05 0.76 -0.55 -0.07 0.09 0.00 0.00 178.44 178.71 1uqr h LEU 90 N 0.79 0.65 -1.33 1.67 3.38 -1.17 -3.08 115.31 116.23 1uqr h LEU 90 Ca 0.18 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1uqr h LEU 90 Cb 0.29 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1uqr h LEU 90 CO -0.00 1.07 0.27 0.00 0.09 0.00 0.00 178.44 179.88 1uqr h ALA 91 N 0.94 1.49 -0.02 1.53 0.00 -0.54 -2.75 119.26 119.92 1uqr h ALA 91 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1uqr h ALA 91 Cb 1.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1uqr h ALA 91 CO 0.11 0.42 -0.07 1.33 0.00 0.00 0.00 179.25 181.04 1uqr n VAL 92 N -4.39 0.00 -4.05 0.00 0.24 -1.00 -4.98 118.33 104.15 1uqr n VAL 92 Ca 0.05 -0.26 -0.28 0.00 -2.04 0.00 0.00 64.34 61.80 1uqr n VAL 92 Cb 0.11 0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 33.11 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 0.18 -0.89 -4.31 -1.34 7.64 -1.04 -4.73 113.62 109.13 1uqr n SER 93 Ca 0.17 -1.03 -0.33 0.00 1.01 0.00 0.00 58.87 58.68 1uqr n SER 93 Cb 0.39 -2.84 -0.15 0.00 -1.01 0.00 0.00 64.21 60.60 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 -3.85 2.88 0.46 0.44 1.01 -1.26 -5.08 121.20 115.79 1uqr s ILE 94 Ca 0.17 -0.71 -0.25 0.00 0.00 0.00 0.00 60.65 59.87 1uqr s ILE 94 Cb -0.09 -2.22 -0.08 0.00 0.01 0.00 0.00 42.46 40.08 1uqr s ILE 94 CO 0.91 0.51 1.36 -2.84 0.00 0.00 0.00 174.94 174.88 1uqr s PRO 95 N 0.66 3.67 0.05 2.79 0.02 -1.26 -4.79 135.00 136.14 1uqr s PRO 95 Ca -0.07 2.26 -0.06 0.00 0.02 0.00 0.00 61.00 63.16 1uqr s PRO 95 Cb -0.16 -2.59 -0.01 0.00 0.02 0.00 0.00 34.50 31.76 1uqr s PRO 95 CO 0.02 -0.77 0.10 -0.59 -0.33 0.00 0.00 177.00 175.43 1uqr s PHE 96 N -1.26 0.25 -0.08 6.54 -0.71 -1.26 -1.33 117.98 120.14 1uqr s PHE 96 Ca 0.62 -0.64 0.05 0.00 -1.04 0.00 0.00 56.93 55.91 1uqr s PHE 96 Cb -0.40 -0.17 -0.01 0.00 -1.21 0.00 0.00 43.02 41.23 1uqr s PHE 96 CO 0.51 -0.42 -0.22 0.42 -1.34 0.00 0.00 175.22 174.17 1uqr s ILE 97 N -3.25 2.31 -0.11 -4.49 1.01 -0.53 -0.22 121.20 115.92 1uqr s ILE 97 Ca 0.00 -0.96 -0.15 0.00 0.00 0.00 0.00 60.65 59.54 1uqr s ILE 97 Cb 0.03 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.58 1uqr s ILE 97 CO -0.08 0.56 0.38 -0.70 0.00 0.00 0.00 174.94 175.11 1uqr s GLU 98 N -0.05 4.19 -0.02 2.79 2.12 -0.59 -1.23 118.70 125.91 1uqr s GLU 98 Ca -0.06 0.28 0.05 0.00 0.36 0.00 0.00 54.97 55.60 1uqr s GLU 98 Cb -0.15 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 1uqr s GLU 98 CO 0.05 0.32 -0.16 0.08 -0.54 0.00 0.00 175.26 175.01 1uqr s VAL 99 N 0.15 1.29 -0.02 3.70 1.01 -0.28 -1.05 120.40 125.19 1uqr s VAL 99 Ca 0.21 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1uqr s VAL 99 Cb -0.14 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1uqr s VAL 99 CO 0.08 0.37 -0.02 -1.00 0.00 0.00 0.00 175.10 174.53 1uqr s HIS 100 N -0.33 0.35 0.02 5.22 3.76 -0.40 -4.12 115.29 119.80 1uqr s HIS 100 Ca 0.05 -0.04 -0.25 0.00 -0.15 0.00 0.00 55.06 54.67 1uqr s HIS 100 Cb -0.07 -0.36 -0.18 0.00 1.11 0.00 0.00 32.58 33.09 1uqr s HIS 100 CO -0.00 -0.09 1.42 -0.07 -0.85 0.00 0.00 174.74 175.15 1uqr h LEU 101 N 6.82 -0.09-10.41 0.89 3.38 -1.87 -2.12 115.31 111.91 1uqr h LEU 101 Ca -0.37 -0.25 -0.47 0.00 0.09 0.00 0.00 57.88 56.88 1uqr h LEU 101 Cb 1.16 0.02 0.04 0.00 0.09 0.00 0.00 40.66 41.98 1uqr h LEU 101 CO 0.49 0.21 0.06 -0.94 0.09 0.00 0.00 178.44 178.34 1uqr s SER 102 N -5.37 5.65 -0.57 -0.43 1.04 -1.26 -1.27 113.70 111.49 1uqr s SER 102 Ca -0.15 0.49 -0.24 0.00 0.48 0.00 0.00 55.95 56.53 1uqr s SER 102 Cb 0.03 -1.57 0.05 0.00 0.10 0.00 0.00 66.02 64.63 1uqr s SER 102 CO 0.64 -0.94 0.95 0.21 0.98 0.00 0.00 173.24 175.09 1uqr s ASN 103 N -4.28 6.31 0.55 7.02 3.84 -1.26 -1.79 114.94 125.33 1uqr s ASN 103 Ca 0.52 -0.45 0.28 0.00 0.21 0.00 0.00 52.86 53.41 1uqr s ASN 103 Cb -0.10 -2.44 1.60 0.00 -0.55 0.00 0.00 41.25 39.76 1uqr s ASN 103 CO 0.42 -1.27 2.15 -0.37 -2.79 0.00 0.00 177.10 175.24 1uqr h VAL 104 N 6.01 0.57 0.00 -5.21 -1.51 -1.92 -2.17 116.25 112.03 1uqr h VAL 104 Ca -0.27 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 1uqr h VAL 104 Cb 1.07 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 1uqr h VAL 104 CO 1.11 0.07 0.00 1.41 -1.23 0.00 0.00 177.57 178.92 1uqr n HIS 105 N -3.77 0.46 0.23 5.19 8.25 -1.26 -2.72 115.22 121.61 1uqr n HIS 105 Ca -0.02 0.16 0.12 0.00 -0.26 0.00 0.00 57.72 57.71 1uqr n HIS 105 Cb 0.17 -0.75 0.22 0.00 1.12 0.00 0.00 29.99 30.75 1uqr n HIS 105 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uqr n ALA 106 N -1.65 2.41 -2.42 -1.41 0.00 -0.81 -4.96 120.51 111.68 1uqr n ALA 106 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.46 1uqr n ALA 106 Cb 0.30 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 1.51 3.57 -1.67 0.00 1.74 -1.10 -5.08 116.66 115.63 1uqr n ARG 107 Ca 0.20 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.90 1uqr n ARG 107 Cb 0.61 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.11 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 1.10 -0.11 5.56 4.71 -1.26 -4.89 120.64 125.75 1uqr n GLU 108 Ca 0.00 0.42 0.13 0.00 -0.01 0.00 0.00 57.16 57.70 1uqr n GLU 108 Cb 0.00 -2.35 0.50 0.00 -1.01 0.00 0.00 31.44 28.58 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 0.67 0.40 0.00 3.49 0.11 -1.96 -0.86 132.00 133.86 1uqr h PRO 109 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1uqr h PRO 109 Cb 1.35 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1uqr h PRO 109 CO 0.53 0.27 0.00 0.27 -0.21 0.00 0.00 178.00 178.85 1uqr h PHE 110 N 0.41 0.00 -0.05 0.65 -5.15 -1.97 -0.86 116.94 109.97 1uqr h PHE 110 Ca 0.31 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.08 1uqr h PHE 110 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.81 1uqr h PHE 110 CO -0.00 0.00 0.00 0.54 -2.00 0.00 0.00 178.31 176.85 1uqr n ARG 111 N -2.34 1.61 0.00 6.09 1.74 -0.33 -3.77 116.66 119.66 1uqr n ARG 111 Ca 0.00 -0.89 0.14 0.00 -0.77 0.00 0.00 57.85 56.33 1uqr n ARG 111 Cb 0.16 -1.46 0.52 0.00 -1.02 0.00 0.00 32.46 30.66 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 0.09 0.00 -4.62 -1.55 8.25 -0.33 -4.70 115.22 112.37 1uqr n HIS 112 Ca 0.19 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.31 1uqr n HIS 112 Cb 0.32 -0.31 -0.12 0.00 1.12 0.00 0.00 29.99 31.00 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 -2.80 2.93 -0.02 4.41 5.65 -1.25 -5.05 115.29 119.17 1uqr s HIS 113 Ca 0.19 -0.09 0.02 0.00 0.25 0.00 0.00 55.06 55.43 1uqr s HIS 113 Cb 0.19 -1.76 0.00 0.00 -1.18 0.00 0.00 32.58 29.84 1uqr s HIS 113 CO 0.55 0.22 -0.06 0.45 -0.65 0.00 0.00 174.74 175.26 1uqr s SER 114 N -0.52 0.83 0.00 9.88 0.15 -1.26 -4.19 113.70 118.59 1uqr s SER 114 Ca 0.08 -0.12 0.23 0.00 0.70 0.00 0.00 55.95 56.83 1uqr s SER 114 Cb -0.12 -0.20 0.95 0.00 -1.71 0.00 0.00 66.02 64.95 1uqr s SER 114 CO 0.02 0.04 1.67 -1.22 1.20 0.00 0.00 173.24 174.95 1uqr n TYR 115 N 3.27 0.11 -0.02 3.44 4.01 0.46 -4.14 117.16 124.30 1uqr n TYR 115 Ca -0.17 -0.06 -0.02 0.00 -0.16 0.00 0.00 57.90 57.49 1uqr n TYR 115 Cb 0.55 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.56 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 0.04 1.35 -0.28 7.72 4.77 -1.26 -4.72 117.00 124.61 1uqr n LEU 116 Ca 0.17 -0.01 0.10 0.00 -0.03 0.00 0.00 56.01 56.24 1uqr n LEU 116 Cb 0.28 -0.02 0.25 0.00 -2.33 0.00 0.00 43.42 41.61 1uqr n LEU 116 CO 0.14 0.30 0.96 0.28 -1.33 0.00 0.00 177.39 177.74 1uqr h SER 117 N 0.00 0.08 0.79 -1.43 0.02 -1.92 -1.32 113.55 109.77 1uqr h SER 117 Ca -0.09 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1uqr h SER 117 Cb 1.17 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1uqr h SER 117 CO -0.00 -0.08 0.00 -2.24 -1.14 0.00 0.00 176.83 173.37 1uqr h ASP 118 N 0.28 0.00 -0.02 3.07 -0.00 -1.87 -2.93 116.42 114.94 1uqr h ASP 118 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.53 1uqr h ASP 118 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.28 1uqr h ASP 118 CO -0.58 0.00 0.00 1.33 -0.00 0.00 0.00 179.24 179.99 1uqr n VAL 119 N -2.75 0.03 -2.34 4.15 0.24 -0.57 -5.00 118.33 112.09 1uqr n VAL 119 Ca 0.01 -0.51 -0.32 0.00 -2.04 0.00 0.00 64.34 61.47 1uqr n VAL 119 Cb 0.25 1.20 -0.03 0.00 -1.47 0.00 0.00 33.84 33.79 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 -0.90 3.07 0.18 2.33 0.00 -0.76 -4.85 121.76 120.84 1uqr s ALA 120 Ca 0.13 0.15 -0.09 0.00 0.00 0.00 0.00 51.96 52.15 1uqr s ALA 120 Cb 0.09 -3.11 0.07 0.00 0.00 0.00 0.00 23.12 20.16 1uqr s ALA 120 CO 0.13 -0.29 1.65 -0.22 0.00 0.00 0.00 175.76 177.04 1uqr h LYS 121 N 0.78 1.07 -2.74 0.00 1.63 -0.92 -3.47 116.57 112.92 1uqr h LYS 121 Ca -0.46 -0.33 0.11 0.00 -0.85 0.00 0.00 60.65 59.12 1uqr h LYS 121 Cb 1.19 -0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 32.65 1uqr h LYS 121 CO 0.62 1.03 0.33 0.20 -3.45 0.00 0.00 179.45 178.17 1uqr s GLY 122 N -3.54 -0.15 -0.01 5.01 0.00 -1.25 -5.06 107.32 102.33 1uqr s GLY 122 Ca -0.12 -0.13 0.02 0.00 0.00 0.00 0.00 44.72 44.49 1uqr s GLY 122 CO 0.85 -0.05 -0.05 0.14 0.00 0.00 0.00 173.10 173.99 1uqr s VAL 123 N -3.67 0.41 -0.13 1.40 1.01 -1.26 -1.55 120.40 116.62 1uqr s VAL 123 Ca 0.11 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.88 1uqr s VAL 123 Cb -0.04 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 36.01 1uqr s VAL 123 CO 0.05 0.12 -0.11 -0.63 0.00 0.00 0.00 175.10 174.53 1uqr s ILE 124 N -0.07 1.27 -0.01 2.22 1.01 -0.21 -4.98 121.20 120.43 1uqr s ILE 124 Ca 0.01 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.24 1uqr s ILE 124 Cb -0.03 -1.23 -0.00 0.00 0.01 0.00 0.00 42.46 41.21 1uqr s ILE 124 CO -0.00 0.41 -0.07 0.00 0.00 0.00 0.00 174.94 175.28 1uqr n GLY 126 N 2.95 0.68 1.52 0.00 0.00 -0.74 -4.76 105.19 104.84 1uqr n GLY 126 Ca -0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 4.56 0.00 0.99 4.77 -1.14 -4.65 117.00 121.52 1uqr n LEU 127 Ca 0.00 -2.34 0.00 0.00 -0.03 0.00 0.00 56.01 53.64 1uqr n LEU 127 Cb 0.00 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1uqr n LEU 127 CO 0.00 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1uqr n GLY 128 N 1.25 0.27 0.32 -0.72 0.00 -0.40 -3.42 105.19 102.49 1uqr n GLY 128 Ca 0.25 -0.92 0.14 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.68 2.18 -0.12 4.61 0.00 -1.94 -1.33 119.26 121.98 1uqr h ALA 129 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1uqr h ALA 129 Cb 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1uqr h ALA 129 CO 0.00 -0.29 0.17 0.87 0.00 0.00 0.00 179.25 180.01 1uqr h LYS 130 N 0.00 0.00 -0.82 0.00 1.79 -1.99 -0.99 116.57 114.57 1uqr h LYS 130 Ca 0.11 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.62 1uqr h LYS 130 Cb 0.45 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.05 1uqr h LYS 130 CO -0.00 0.00 0.54 0.78 -1.08 0.00 0.00 179.45 179.69 1uqr h GLY 131 N 0.00 1.15 1.25 3.86 0.00 -1.35 -1.17 103.07 106.82 1uqr h GLY 131 Ca 0.06 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 1uqr h GLY 131 CO -0.00 0.32 -0.11 -0.97 0.00 0.00 0.00 176.54 175.78 1uqr h TYR 132 N 0.98 0.97 -0.50 5.60 0.05 -1.37 -1.52 116.97 121.18 1uqr h TYR 132 Ca 0.33 -0.19 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 1uqr h TYR 132 Cb 0.09 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.56 1uqr h TYR 132 CO -0.00 0.93 0.19 -0.44 -1.05 0.00 0.00 178.16 177.79 1uqr h ASP 133 N 0.79 0.70 -0.64 3.88 3.45 -1.31 -0.38 116.42 122.91 1uqr h ASP 133 Ca 0.13 -0.18 -0.09 0.00 0.43 0.00 0.00 57.03 57.33 1uqr h ASP 133 Cb 0.63 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 39.19 1uqr h ASP 133 CO 0.04 0.69 0.07 1.88 -1.57 0.00 0.00 179.24 180.35 1uqr h TYR 134 N 0.67 1.17 -0.62 4.55 0.05 -1.09 -0.57 116.97 121.13 1uqr h TYR 134 Ca 0.17 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1uqr h TYR 134 Cb 0.21 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.61 1uqr h TYR 134 CO 0.01 1.00 0.34 0.00 -1.05 0.00 0.00 178.16 178.46 1uqr h ALA 135 N 1.05 0.79 -0.32 3.88 0.00 -0.96 -0.59 119.26 123.10 1uqr h ALA 135 Ca 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1uqr h ALA 135 Cb 0.49 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1uqr h ALA 135 CO 0.02 0.30 0.10 1.25 0.00 0.00 0.00 179.25 180.92 1uqr h LEU 136 N 0.84 0.48 -0.75 0.00 5.85 -0.80 -1.26 115.31 119.67 1uqr h LEU 136 Ca 0.22 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1uqr h LEU 136 Cb 0.03 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 1uqr h LEU 136 CO -0.04 0.56 0.44 -0.78 -0.34 0.00 0.00 178.44 178.29 1uqr h ASP 137 N 0.37 0.67 -0.29 1.25 1.82 -0.74 -0.32 116.42 119.17 1uqr h ASP 137 Ca 0.10 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.74 1uqr h ASP 137 Cb 0.26 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 1uqr h ASP 137 CO -0.00 0.43 0.07 0.15 -1.61 0.00 0.00 179.24 178.27 1uqr h PHE 138 N 0.80 0.48 -0.35 0.28 3.57 -0.88 0.66 116.94 121.51 1uqr h PHE 138 Ca 0.33 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.82 1uqr h PHE 138 Cb 0.18 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 1uqr h PHE 138 CO -0.06 0.53 0.09 0.00 -2.23 0.00 0.00 178.31 176.64 1uqr h ALA 139 N 0.89 0.39 -0.48 2.41 0.00 -0.61 -0.31 119.26 121.54 1uqr h ALA 139 Ca 0.09 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1uqr h ALA 139 Cb 0.29 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1uqr h ALA 139 CO 0.00 -0.31 -0.00 0.82 0.00 0.00 0.00 179.25 179.75 1uqr h ILE 140 N 0.22 1.26 -0.93 0.00 2.04 -0.94 -1.33 117.51 117.82 1uqr h ILE 140 Ca 0.16 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 64.97 1uqr h ILE 140 Cb 0.17 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1uqr h ILE 140 CO -0.20 0.37 0.62 0.77 0.00 0.00 0.00 178.15 179.71 1uqr h SER 141 N 0.71 1.05 -0.14 1.72 4.64 -0.45 0.16 113.55 121.25 1uqr h SER 141 Ca 0.14 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 1uqr h SER 141 Cb 0.52 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1uqr h SER 141 CO 0.03 0.75 0.02 -0.33 -0.87 0.00 0.00 176.83 176.42 1uqr h GLU 142 N 1.23 0.23 -0.25 4.77 4.39 -0.80 -2.66 114.58 121.49 1uqr h GLU 142 Ca 0.35 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.94 1uqr h GLU 142 Cb -0.09 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1uqr h GLU 142 CO -0.09 0.42 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.07 1uqr h LEU 143 N -0.00 0.37 -0.91 1.33 3.38 -0.67 -2.17 115.31 116.64 1uqr h LEU 143 Ca 0.04 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1uqr h LEU 143 Cb 0.31 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1uqr h LEU 143 CO 0.00 0.47 -0.26 1.56 0.09 0.00 0.00 178.44 180.31 1uqr h GLN 144 N 0.38 0.50 -0.36 1.13 4.20 -0.57 0.07 115.11 120.45 1uqr h GLN 144 Ca 0.08 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.49 1uqr h GLN 144 Cb 0.33 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1uqr h GLN 144 CO 0.01 0.72 -0.21 0.87 -0.67 0.00 0.00 178.83 179.55 1uqr h LYS 145 N 0.44 0.78 -0.40 1.46 1.57 -1.09 -1.62 116.57 117.71 1uqr h LYS 145 Ca 0.06 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1uqr h LYS 145 Cb 0.68 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1uqr h LYS 145 CO 0.05 0.98 0.23 0.82 -0.57 0.00 0.00 179.45 180.96 1uqr h ILE 146 N 0.57 1.14 -0.12 1.86 2.04 -1.11 -0.74 117.51 121.15 1uqr h ILE 146 Ca 0.08 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1uqr h ILE 146 Cb 0.77 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 1uqr h ILE 146 CO 0.06 0.15 0.08 1.56 0.00 0.00 0.00 178.15 179.99 1uqr h GLN 147 N 0.52 0.15 -0.35 2.37 4.20 -0.87 -0.85 115.11 120.28 1uqr h GLN 147 Ca 0.14 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 1uqr h GLN 147 Cb 0.04 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1uqr h GLN 147 CO -0.02 0.10 0.02 1.25 -0.67 0.00 0.00 178.83 179.51 1uqr h LEU 148 N 0.16 0.50 -0.78 1.46 5.85 -1.18 -1.98 115.31 119.34 1uqr h LEU 148 Ca 0.05 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 1uqr h LEU 148 Cb -0.01 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1uqr h LEU 148 CO -0.02 0.55 0.17 1.23 -0.34 0.00 0.00 178.44 180.04 1uqr h GLY 149 N 0.82 1.18 1.64 3.75 0.00 -0.57 -1.85 103.07 108.03 1uqr h GLY 149 Ca 0.11 -0.72 -0.09 0.00 0.00 0.00 0.00 47.33 46.63 1uqr h GLY 149 CO 0.01 0.67 -0.25 0.83 0.00 0.00 0.00 176.54 177.80 1uqr h GLU 150 N 1.04 0.42 -0.17 4.80 5.08 -0.51 -0.75 114.58 124.49 1uqr h GLU 150 Ca 0.22 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1uqr h GLU 150 Cb 0.35 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1uqr h GLU 150 CO 0.00 0.64 -0.01 1.98 -1.00 0.00 0.00 179.01 180.62 1uqr h MET 151 N 0.37 0.31 0.00 2.33 4.05 -0.99 -2.99 114.93 118.01 1uqr h MET 151 Ca 0.06 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1uqr h MET 151 Cb 0.64 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.41 1uqr h MET 151 CO 0.05 0.54 0.00 -1.33 0.23 0.00 0.00 176.91 176.39 1uqr n MET 152 N -4.71 0.01 -2.92 0.39 2.81 -0.73 -4.67 117.12 107.29 1uqr n MET 152 Ca -0.05 0.14 -0.41 0.00 -1.81 0.00 0.00 57.70 55.56 1uqr n MET 152 Cb 0.23 -1.51 -0.04 0.00 -0.71 0.00 0.00 33.22 31.18 1uqr n MET 152 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1uqr s ASN 153 N -3.05 6.83 0.00 7.83 0.01 -0.31 -5.08 114.94 121.17 1uqr s ASN 153 Ca 0.10 1.03 0.00 0.00 -0.71 0.00 0.00 52.86 53.28 1uqr s ASN 153 Cb 0.14 -2.43 0.00 0.00 0.41 0.00 0.00 41.25 39.37 1uqr s ASN 153 CO 0.40 -0.47 0.00 0.61 -1.51 0.00 0.00 177.10 176.13