#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 3.22 0.01 2.12 -0.14 -1.26 -4.91 119.74 118.78 1uqr s LYS 2 Ca 0.00 1.13 0.02 0.00 -1.36 0.00 0.00 55.97 55.77 1uqr s LYS 2 Cb 0.00 -2.02 -0.01 0.00 -1.68 0.00 0.00 37.83 34.12 1uqr s LYS 2 CO 0.00 -0.88 -0.08 0.21 -0.76 0.00 0.00 175.35 173.84 1uqr s LYS 3 N -4.33 0.58 -0.03 1.68 2.20 -1.26 -2.09 119.74 116.49 1uqr s LYS 3 Ca 0.62 -0.37 0.07 0.00 -0.36 0.00 0.00 55.97 55.94 1uqr s LYS 3 Cb -0.15 -0.53 -0.02 0.00 -1.51 0.00 0.00 37.83 35.62 1uqr s LYS 3 CO 0.42 0.14 -0.24 0.42 -0.36 0.00 0.00 175.35 175.72 1uqr s ILE 4 N -0.41 2.19 -0.17 5.43 1.01 0.38 -0.68 121.20 128.95 1uqr s ILE 4 Ca 0.01 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.59 1uqr s ILE 4 Cb -0.04 -1.77 -0.00 0.00 0.01 0.00 0.00 42.46 40.66 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 -0.61 2.62 -0.26 2.97 2.96 -0.50 -1.34 118.68 124.52 1uqr s LEU 5 Ca 0.10 -0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 53.47 1uqr s LEU 5 Cb -0.10 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 1uqr s LEU 5 CO -0.01 0.07 0.17 -0.22 -1.32 0.00 0.00 176.35 175.04 1uqr s LEU 6 N 0.92 4.05 -0.07 -0.68 2.96 0.31 -1.02 118.68 125.15 1uqr s LEU 6 Ca -0.03 0.05 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 1uqr s LEU 6 Cb -0.15 -2.10 -0.00 0.00 0.50 0.00 0.00 46.19 44.43 1uqr s LEU 6 CO -0.01 0.02 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.04 1uqr s LEU 7 N 1.36 2.05 -0.04 -0.68 1.43 0.23 -1.21 118.68 121.81 1uqr s LEU 7 Ca 0.07 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.71 1uqr s LEU 7 Cb -0.15 -1.34 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 1uqr s LEU 7 CO 0.07 0.20 -0.18 0.20 0.23 0.00 0.00 176.35 176.86 1uqr s ASN 8 N 0.08 2.30 0.00 2.29 0.01 -0.34 -1.20 114.94 118.08 1uqr s ASN 8 Ca -0.10 -0.38 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 1uqr s ASN 8 Cb -0.15 -0.61 0.00 0.00 0.41 0.00 0.00 41.25 40.89 1uqr s ASN 8 CO 0.06 0.17 0.00 0.61 -1.51 0.00 0.00 177.10 176.43 1uqr n GLY 9 N 3.08 0.40 3.68 0.66 0.00 0.91 -2.44 105.19 111.47 1uqr n GLY 9 Ca -0.18 -1.81 -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 -0.00 2.03 -0.37 1.61 -0.04 -1.10 -2.94 135.00 134.19 1uqr n PRO 10 Ca 0.00 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 1uqr n PRO 10 Cb 0.00 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 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 0.98 0.00 0.29 3.54 3.02 -1.26 -4.54 115.26 117.29 1uqr n ASN 11 Ca 0.06 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.80 1uqr n ASN 11 Cb 0.35 -0.92 0.83 0.00 -0.61 0.00 0.00 39.78 39.43 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 0.00 3.41 -0.00 -1.90 -1.88 115.31 114.93 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 0.00 0.00 -0.46 -0.00 0.00 0.00 178.44 177.98 1uqr n ASN 13 N -3.09 0.00 -0.29 -0.43 6.94 -1.26 -2.41 115.26 114.71 1uqr n ASN 13 Ca -0.00 0.48 0.14 0.00 -0.02 0.00 0.00 54.58 55.18 1uqr n ASN 13 Cb 0.24 -0.49 0.59 0.00 -2.36 0.00 0.00 39.78 37.76 1uqr n ASN 13 CO 0.00 0.00 0.00 0.23 -1.03 0.00 0.00 177.26 176.46 1uqr n MET 14 N -1.49 1.24 -1.69 -3.83 2.81 -0.71 -4.78 117.12 108.67 1uqr n MET 14 Ca 0.04 -0.59 -0.44 0.00 -1.81 0.00 0.00 57.70 54.90 1uqr n MET 14 Cb 0.19 -1.49 -0.04 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 -0.37 3.50 0.00 4.03 4.77 -1.01 -1.79 117.00 126.13 1uqr n LEU 15 Ca 0.18 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.22 1uqr n LEU 15 Cb 0.30 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 39.90 1uqr n LEU 15 CO 0.20 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1uqr n GLY 16 N 3.70 0.55 0.01 -0.72 0.00 -1.14 -3.96 105.19 103.64 1uqr n GLY 16 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.99 0.65 0.04 1.61 4.76 -0.74 -4.72 118.16 117.77 1uqr n LYS 17 Ca 0.00 -0.19 -0.12 0.00 -2.87 0.00 0.00 58.31 55.13 1uqr n LYS 17 Cb 0.07 -1.51 -0.00 0.00 -1.84 0.00 0.00 35.03 31.74 1uqr n LYS 17 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uqr h ARG 18 N 0.00 0.46 0.00 1.97 3.08 -1.89 -3.53 114.38 114.48 1uqr h ARG 18 Ca -0.00 -0.41 -0.11 0.00 0.07 0.00 0.00 59.98 59.53 1uqr h ARG 18 Cb 0.98 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 1uqr h ARG 18 CO 0.00 1.05 -1.57 0.45 -1.07 0.00 0.00 179.97 178.82 1uqr n SER 25 N -3.83 2.75 -4.74 7.04 2.88 -1.26 -5.17 113.62 111.29 1uqr n SER 25 Ca -0.05 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.07 1uqr n SER 25 Cb 0.74 0.95 -0.02 0.00 -0.75 0.00 0.00 64.21 65.13 1uqr n SER 25 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1uqr n GLN 26 N -2.18 2.76 -3.43 -1.46 7.27 -1.26 -4.70 117.38 114.38 1uqr n GLN 26 Ca -0.11 0.99 -0.21 0.00 0.07 0.00 0.00 57.00 57.74 1uqr n GLN 26 Cb 0.63 -2.79 -0.00 0.00 2.41 0.00 0.00 30.24 30.48 1uqr n GLN 26 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1uqr s THR 27 N 0.27 2.47 0.16 1.69 -4.23 -1.26 -2.87 115.64 111.87 1uqr s THR 27 Ca 0.66 -1.25 -0.13 0.00 -1.18 0.00 0.00 61.69 59.79 1uqr s THR 27 Cb -0.49 -2.72 0.04 0.00 1.34 0.00 0.00 72.50 70.68 1uqr s THR 27 CO 0.45 0.00 1.70 0.25 -0.54 0.00 0.00 174.62 176.48 1uqr h LEU 28 N 0.77 0.73 -1.23 4.79 5.85 -1.80 -2.37 115.31 122.05 1uqr h LEU 28 Ca -0.38 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.18 1uqr h LEU 28 Cb 1.28 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1uqr h LEU 28 CO 0.52 0.71 0.53 -1.28 -0.34 0.00 0.00 178.44 178.59 1uqr h SER 29 N 0.71 0.87 -0.69 1.25 0.87 -1.93 0.68 113.55 115.31 1uqr h SER 29 Ca 0.17 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1uqr h SER 29 Cb 0.22 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 1uqr h SER 29 CO -0.01 0.61 0.45 0.44 -0.53 0.00 0.00 176.83 177.79 1uqr h ASP 30 N 1.02 0.77 -0.16 6.23 3.45 -1.83 -0.53 116.42 125.36 1uqr h ASP 30 Ca 0.31 -0.01 -0.04 0.00 0.43 0.00 0.00 57.03 57.71 1uqr h ASP 30 Cb -0.02 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 38.56 1uqr h ASP 30 CO -0.08 0.55 -0.07 0.40 -1.57 0.00 0.00 179.24 178.47 1uqr h ILE 31 N 0.91 1.30 -0.17 0.35 2.04 -0.78 -1.63 117.51 119.53 1uqr h ILE 31 Ca 0.26 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 65.05 1uqr h ILE 31 Cb -0.07 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1uqr h ILE 31 CO -0.07 0.32 0.07 -0.33 0.00 0.00 0.00 178.15 178.13 1uqr h GLU 32 N 0.01 0.15 -0.62 2.37 5.08 -0.72 -0.82 114.58 120.04 1uqr h GLU 32 Ca 0.04 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1uqr h GLU 32 Cb 0.53 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1uqr h GLU 32 CO 0.02 0.10 0.32 1.96 -1.00 0.00 0.00 179.01 180.41 1uqr h GLN 33 N 0.15 0.87 -0.05 2.33 1.08 -1.12 -1.53 115.11 116.85 1uqr h GLN 33 Ca 0.07 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1uqr h GLN 33 Cb 0.03 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.30 1uqr h GLN 33 CO -0.07 0.68 0.03 1.25 -0.95 0.00 0.00 178.83 179.78 1uqr h HIS 34 N 0.84 0.06 -0.67 2.96 2.76 -1.01 -1.47 115.15 118.63 1uqr h HIS 34 Ca 0.22 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.31 1uqr h HIS 34 Cb 0.08 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 1uqr h HIS 34 CO -0.00 0.07 0.12 -0.07 -1.30 0.00 0.00 177.93 176.74 1uqr h LEU 35 N 0.04 1.04 -0.54 0.26 3.38 -1.03 -1.28 115.31 117.18 1uqr h LEU 35 Ca 0.02 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1uqr h LEU 35 Cb 0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1uqr h LEU 35 CO -0.00 1.02 0.16 -0.61 0.09 0.00 0.00 178.44 179.10 1uqr h GLN 36 N 1.03 0.85 -0.61 1.13 4.15 -1.17 -0.44 115.11 120.04 1uqr h GLN 36 Ca 0.21 -0.19 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 1uqr h GLN 36 Cb 0.42 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 1uqr h GLN 36 CO 0.01 0.78 0.17 1.96 -1.93 0.00 0.00 178.83 179.82 1uqr h GLN 37 N 0.76 0.97 -0.39 1.69 4.20 -1.08 -0.64 115.11 120.61 1uqr h GLN 37 Ca 0.17 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1uqr h GLN 37 Cb 0.29 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 1uqr h GLN 37 CO -0.00 0.87 0.07 1.03 -0.67 0.00 0.00 178.83 180.13 1uqr h SER 38 N 0.88 0.62 -0.07 1.46 0.87 -0.98 -1.26 113.55 115.07 1uqr h SER 38 Ca 0.19 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1uqr h SER 38 Cb 0.32 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1uqr h SER 38 CO -0.00 0.71 -0.00 0.00 -0.53 0.00 0.00 176.83 177.01 1uqr h ALA 39 N 0.93 0.09 0.00 6.23 0.00 -0.96 -3.00 119.26 122.55 1uqr h ALA 39 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1uqr h ALA 39 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1uqr h ALA 39 CO 0.01 -0.23 0.00 1.96 0.00 0.00 0.00 179.25 180.99 1uqr h GLN 40 N -0.16 0.00 0.00 0.00 4.20 -0.51 -0.38 115.11 118.26 1uqr h GLN 40 Ca 0.02 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1uqr h GLN 40 Cb 0.34 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1uqr h GLN 40 CO 0.00 0.00 -0.01 0.00 -0.67 0.00 0.00 178.83 178.15 1uqr h ALA 41 N 2.05 0.99 -0.25 3.87 0.00 -1.11 -2.83 119.26 121.99 1uqr h ALA 41 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uqr h ALA 41 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1uqr h ALA 41 CO 0.00 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.31 1uqr n GLN 42 N -3.10 2.31 -0.49 0.00 6.02 -0.28 -4.94 117.38 116.89 1uqr n GLN 42 Ca 0.03 -1.95 0.00 0.00 -0.01 0.00 0.00 57.00 55.07 1uqr n GLN 42 Cb 0.49 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.27 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 1.40 0.75 3.49 1.08 0.00 -1.01 -5.07 105.19 105.83 1uqr n GLY 43 Ca 0.18 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 2.91 0.25 1.61 2.02 -0.46 -4.71 117.35 116.98 1uqr s TYR 44 Ca 0.00 -0.28 -0.30 0.00 -0.37 0.00 0.00 57.07 56.13 1uqr s TYR 44 Cb 0.00 -1.82 -0.09 0.00 -0.40 0.00 0.00 41.96 39.65 1uqr s TYR 44 CO 0.00 0.05 0.97 -2.00 -1.57 0.00 0.00 175.55 173.00 1uqr s GLU 45 N -0.11 4.82 -0.04 -0.62 2.12 -0.89 -2.05 118.70 121.93 1uqr s GLU 45 Ca 0.01 1.54 0.00 0.00 0.36 0.00 0.00 54.97 56.87 1uqr s GLU 45 Cb -0.13 -3.25 0.03 0.00 0.26 0.00 0.00 34.13 31.03 1uqr s GLU 45 CO 0.03 0.46 -0.00 -1.17 -0.54 0.00 0.00 175.26 174.04 1uqr s LEU 46 N -1.25 1.03 0.14 2.70 0.20 -1.26 -0.47 118.68 119.77 1uqr s LEU 46 Ca 0.42 -0.04 0.06 0.00 0.69 0.00 0.00 54.13 55.25 1uqr s LEU 46 Cb -0.27 -0.29 -0.04 0.00 -0.43 0.00 0.00 46.19 45.16 1uqr s LEU 46 CO 0.33 -0.12 0.03 -1.81 -0.29 0.00 0.00 176.35 174.50 1uqr s ASP 47 N 1.23 5.08 0.07 3.68 1.01 -0.45 -4.91 116.67 122.38 1uqr s ASP 47 Ca -0.07 -0.23 0.02 0.00 0.71 0.00 0.00 52.55 52.98 1uqr s ASP 47 Cb -0.13 -1.21 -0.03 0.00 1.01 0.00 0.00 42.92 42.56 1uqr s ASP 47 CO -0.02 0.12 -0.07 -0.72 0.21 0.00 0.00 175.17 174.69 1uqr s TYR 48 N -1.56 0.76 -0.11 4.23 -0.85 -1.26 -0.53 117.35 118.03 1uqr s TYR 48 Ca 0.28 -0.69 -0.26 0.00 -0.52 0.00 0.00 57.07 55.88 1uqr s TYR 48 Cb -0.11 -0.45 0.06 0.00 0.38 0.00 0.00 41.96 41.85 1uqr s TYR 48 CO 0.20 -0.12 0.62 0.12 -1.52 0.00 0.00 175.55 174.85 1uqr s PHE 49 N -2.37 -0.62 -0.05 -3.49 5.36 -0.35 -4.95 117.98 111.51 1uqr s PHE 49 Ca -0.00 1.22 -0.05 0.00 -0.96 0.00 0.00 56.93 57.14 1uqr s PHE 49 Cb -0.03 0.32 0.01 0.00 -0.34 0.00 0.00 43.02 42.98 1uqr s PHE 49 CO -0.02 -0.50 0.14 -1.14 -1.46 0.00 0.00 175.22 172.24 1uqr s GLN 50 N -0.71 0.16 0.10 10.12 -0.44 -1.26 -1.20 119.66 126.42 1uqr s GLN 50 Ca -0.08 0.19 -0.20 0.00 -2.50 0.00 0.00 55.36 52.78 1uqr s GLN 50 Cb -0.02 0.07 0.05 0.00 -1.64 0.00 0.00 33.01 31.47 1uqr s GLN 50 CO 0.06 -0.02 0.48 0.00 0.50 0.00 0.00 175.29 176.31 1uqr s ALA 51 N 0.10 -1.19 -1.44 1.58 0.00 -1.02 -4.99 121.76 114.79 1uqr s ALA 51 Ca -0.00 0.30 0.20 0.00 0.00 0.00 0.00 51.96 52.46 1uqr s ALA 51 Cb -0.01 0.58 0.69 0.00 0.00 0.00 0.00 23.12 24.38 1uqr s ALA 51 CO 0.00 -0.60 1.59 0.09 0.00 0.00 0.00 175.76 176.85 1uqr n ASN 52 N 0.04 4.45 -3.97 0.00 3.02 -1.26 -2.69 115.26 114.85 1uqr n ASN 52 Ca -0.17 -2.28 -0.09 0.00 -0.03 0.00 0.00 54.58 52.01 1uqr n ASN 52 Cb 0.62 -0.54 -0.10 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.96 0.23 0.17 7.41 0.00 -1.26 -4.71 107.32 108.21 1uqr s GLY 53 Ca 0.50 -0.64 -0.14 0.00 0.00 0.00 0.00 44.72 44.44 1uqr s GLY 53 CO 0.28 -0.75 1.81 0.83 0.00 0.00 0.00 173.10 175.27 1uqr h GLU 54 N 3.91 0.57 -0.36 2.90 5.08 -1.99 -2.62 114.58 122.07 1uqr h GLU 54 Ca -0.32 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.03 1uqr h GLU 54 Cb 1.19 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1uqr h GLU 54 CO 0.50 0.38 0.18 1.49 -1.00 0.00 0.00 179.01 180.56 1uqr h GLU 55 N 0.59 0.37 -0.54 2.33 4.81 -1.98 0.26 114.58 120.41 1uqr h GLU 55 Ca 0.20 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1uqr h GLU 55 Cb 0.03 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1uqr h GLU 55 CO -0.10 0.24 0.31 0.77 -0.73 0.00 0.00 179.01 179.51 1uqr h SER 56 N 0.38 0.66 -0.34 1.04 0.02 -1.97 0.31 113.55 113.65 1uqr h SER 56 Ca 0.15 -0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1uqr h SER 56 Cb 0.06 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1uqr h SER 56 CO -0.10 0.54 0.00 -0.07 -1.14 0.00 0.00 176.83 176.06 1uqr h LEU 57 N 0.72 0.58 -0.41 5.07 3.38 -1.13 -2.23 115.31 121.29 1uqr h LEU 57 Ca 0.19 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1uqr h LEU 57 Cb 0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1uqr h LEU 57 CO -0.03 0.74 0.11 0.40 0.09 0.00 0.00 178.44 179.75 1uqr h ILE 58 N 0.40 1.23 -0.88 1.22 2.04 -0.33 -1.20 117.51 119.99 1uqr h ILE 58 Ca 0.10 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 65.23 1uqr h ILE 58 Cb 0.44 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1uqr h ILE 58 CO 0.02 0.27 0.58 0.78 0.00 0.00 0.00 178.15 179.80 1uqr h ASN 59 N 0.53 0.94 -0.02 1.72 -0.26 -0.90 -0.03 115.58 117.56 1uqr h ASN 59 Ca 0.13 -0.01 -0.14 0.00 -0.56 0.00 0.00 56.30 55.73 1uqr h ASN 59 Cb 0.30 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 1uqr h ASN 59 CO -0.00 0.65 -0.43 -0.09 -1.06 0.00 0.00 177.43 176.50 1uqr h ARG 60 N 1.09 0.55 -0.28 0.81 9.65 -0.97 -1.80 114.38 123.44 1uqr h ARG 60 Ca 0.35 -0.29 -0.05 0.00 -1.10 0.00 0.00 59.98 58.90 1uqr h ARG 60 Cb 0.04 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 1uqr h ARG 60 CO -0.11 0.87 -0.01 0.82 2.80 0.00 0.00 179.97 184.34 1uqr h ILE 61 N 0.45 1.26 -0.72 1.20 2.04 -0.44 -2.72 117.51 118.58 1uqr h ILE 61 Ca 0.03 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 1uqr h ILE 61 Cb 0.93 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 1uqr h ILE 61 CO 0.08 0.30 0.42 0.45 0.00 0.00 0.00 178.15 179.41 1uqr h HIS 62 N 0.27 0.95 0.00 1.37 3.86 -0.92 -1.65 115.15 119.02 1uqr h HIS 62 Ca 0.08 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1uqr h HIS 62 Cb 0.45 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 1uqr h HIS 62 CO 0.04 0.64 -0.03 1.96 0.86 0.00 0.00 177.93 181.39 1uqr h GLN 63 N 0.99 0.00 0.00 2.45 4.20 -1.08 -1.94 115.11 119.73 1uqr h GLN 63 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 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 -0.02 0.00 -0.67 0.00 0.00 178.83 178.13 1uqr h ALA 64 N 1.97 0.99 -1.80 3.87 0.00 -1.00 -3.46 119.26 119.83 1uqr h ALA 64 Ca -0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1uqr h ALA 64 Cb 0.28 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.12 1uqr h ALA 64 CO 0.00 0.00 0.65 0.34 0.00 0.00 0.00 179.25 180.24 1uqr n PHE 65 N -2.56 1.82 -0.90 0.00 -0.00 -0.73 -1.80 117.46 113.28 1uqr n PHE 65 Ca 0.05 0.50 0.00 0.00 -0.00 0.00 0.00 57.45 58.00 1uqr n PHE 65 Cb 0.47 -2.42 0.00 0.00 -0.00 0.00 0.00 39.48 37.53 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 3.50 -0.83 0.00 -4.13 6.02 -1.26 -4.72 117.38 115.96 1uqr n GLN 66 Ca 0.20 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 1uqr n GLN 66 Cb 0.21 -4.06 0.00 0.00 1.02 0.00 0.00 30.24 27.41 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 -0.41 0.12 -4.26 1.08 6.94 -0.75 -5.06 115.26 112.92 1uqr n ASN 67 Ca 0.00 -0.57 -0.31 0.00 -0.02 0.00 0.00 54.58 53.68 1uqr n ASN 67 Cb 0.21 0.12 -0.16 0.00 -2.36 0.00 0.00 39.78 37.58 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 -0.12 2.01 -0.37 5.53 2.01 -0.75 -4.61 115.64 119.34 1uqr s THR 68 Ca 0.00 -1.04 0.22 0.00 0.31 0.00 0.00 61.69 61.18 1uqr s THR 68 Cb 0.00 -1.70 -0.27 0.00 0.01 0.00 0.00 72.50 70.54 1uqr s THR 68 CO 0.00 0.56 0.68 0.47 -0.69 0.00 0.00 174.62 175.64 1uqr n ASP 69 N 2.96 0.38 -3.54 3.53 9.92 0.14 -4.94 116.55 125.01 1uqr n ASP 69 Ca -0.17 -0.28 -0.17 0.00 -0.53 0.00 0.00 54.79 53.63 1uqr n ASP 69 Cb 0.52 1.52 -0.06 0.00 -0.64 0.00 0.00 41.12 42.46 1uqr n ASP 69 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 1uqr s PHE 70 N -3.33 -0.68 -0.05 1.24 2.19 -1.18 -4.52 117.98 111.64 1uqr s PHE 70 Ca -0.02 1.28 0.04 0.00 0.33 0.00 0.00 56.93 58.56 1uqr s PHE 70 Cb 0.14 0.38 -0.00 0.00 -1.31 0.00 0.00 43.02 42.23 1uqr s PHE 70 CO 0.88 -0.55 -0.18 0.42 1.83 0.00 0.00 175.22 177.62 1uqr s ILE 71 N -0.86 1.52 -0.21 3.12 1.01 -0.62 -1.41 121.20 123.75 1uqr s ILE 71 Ca -0.08 -0.76 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 1uqr s ILE 71 Cb -0.01 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.16 1uqr s ILE 71 CO 0.08 0.44 -0.11 -0.63 0.00 0.00 0.00 174.94 174.72 1uqr s ILE 72 N 0.04 2.81 -0.04 2.92 1.01 -0.18 -1.35 121.20 126.41 1uqr s ILE 72 Ca -0.05 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 59.90 1uqr s ILE 72 Cb -0.12 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.11 1uqr s ILE 72 CO 0.03 0.45 -0.05 -0.51 0.00 0.00 0.00 174.94 174.85 1uqr s ILE 73 N 1.39 0.57 -0.45 2.92 2.07 -0.41 -0.60 121.20 126.69 1uqr s ILE 73 Ca 0.05 -0.15 -0.04 0.00 -1.41 0.00 0.00 60.65 59.09 1uqr s ILE 73 Cb -0.14 -0.58 0.12 0.00 0.13 0.00 0.00 42.46 41.99 1uqr s ILE 73 CO -0.07 0.23 0.27 0.21 -1.91 0.00 0.00 174.94 173.67 1uqr s ASN 74 N 0.82 5.37 0.00 4.50 3.84 -0.34 -0.98 114.94 128.16 1uqr s ASN 74 Ca -0.11 -2.11 0.23 0.00 0.21 0.00 0.00 52.86 51.08 1uqr s ASN 74 Cb -0.14 -1.88 1.28 0.00 -0.55 0.00 0.00 41.25 39.96 1uqr s ASN 74 CO 0.01 -0.56 1.77 -0.81 -2.79 0.00 0.00 177.10 174.71 1uqr n PRO 75 N 4.53 0.52 0.00 0.43 -0.04 -1.26 -0.07 135.00 139.11 1uqr n PRO 75 Ca -0.02 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1uqr n PRO 75 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1uqr n PRO 75 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1uqr n GLY 76 N 0.58 2.01 0.31 0.55 0.00 -1.26 -2.12 105.19 105.26 1uqr n GLY 76 Ca 0.14 -0.49 0.19 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.96 1.17 0.00 4.61 0.00 -1.95 -2.46 119.26 119.67 1uqr h ALA 77 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 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 0.02 0.00 0.74 0.00 0.00 0.00 179.25 180.01 1uqr h PHE 78 N 0.00 0.00 0.00 0.00 0.04 -1.81 -1.78 116.94 113.38 1uqr h PHE 78 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 1uqr h PHE 78 Cb 0.10 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.25 1uqr h PHE 78 CO 0.00 0.00 -0.12 0.00 -0.60 0.00 0.00 178.31 177.59 1uqr h THR 79 N 0.00 0.93 0.00 -1.55 1.03 -1.58 0.75 112.91 112.49 1uqr h THR 79 Ca 0.00 -0.43 0.00 0.00 -0.01 0.00 0.00 66.41 65.97 1uqr h THR 79 Cb 0.17 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.49 1uqr h THR 79 CO 0.00 0.12 -0.87 0.45 -0.01 0.00 0.00 175.52 175.20 1uqr h HIS 80 N 0.00 0.00 0.00 0.00 3.86 -1.49 0.75 115.15 118.27 1uqr h HIS 80 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1uqr h HIS 80 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 1uqr h HIS 80 CO 0.00 0.00 -0.84 0.25 0.86 0.00 0.00 177.93 178.20 1uqr n THR 81 N -2.43 0.00 -3.03 2.45 -2.24 -0.98 -4.75 114.28 103.31 1uqr n THR 81 Ca 0.01 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.35 1uqr n THR 81 Cb 0.50 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.71 6.63 0.29 3.42 0.15 0.22 -4.78 113.70 117.92 1uqr s SER 82 Ca 0.00 -2.15 0.10 0.00 0.70 0.00 0.00 55.95 54.60 1uqr s SER 82 Cb 0.00 -2.35 0.42 0.00 -1.71 0.00 0.00 66.02 62.38 1uqr s SER 82 CO 0.00 -0.96 1.65 0.58 1.20 0.00 0.00 173.24 175.71 1uqr h VAL 83 N 5.59 1.40 -0.88 4.45 2.07 -1.91 -2.90 116.25 124.07 1uqr h VAL 83 Ca 0.12 -1.91 -0.00 0.00 0.82 0.00 0.00 66.70 65.72 1uqr h VAL 83 Cb 1.03 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.78 1uqr h VAL 83 CO 1.02 0.55 0.54 0.00 0.02 0.00 0.00 177.57 179.70 1uqr h ALA 84 N 1.41 1.30 -0.07 1.67 0.00 -1.98 -0.47 119.26 121.12 1uqr h ALA 84 Ca -0.00 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.63 1uqr h ALA 84 Cb 1.00 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1uqr h ALA 84 CO 0.07 0.61 -0.76 0.82 0.00 0.00 0.00 179.25 180.00 1uqr h ILE 85 N 1.20 1.38 0.03 0.00 2.04 -1.91 -1.98 117.51 118.26 1uqr h ILE 85 Ca 0.32 -2.17 0.02 0.00 1.00 0.00 0.00 64.86 64.03 1uqr h ILE 85 Cb -0.07 2.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 1uqr h ILE 85 CO -0.06 0.65 -0.17 -0.09 0.00 0.00 0.00 178.15 178.48 1uqr h ARG 86 N 0.28 -0.29 0.00 2.37 2.43 -1.21 -1.04 114.38 116.93 1uqr h ARG 86 Ca -0.04 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1uqr h ARG 86 Cb 1.34 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.95 1uqr h ARG 86 CO 0.13 -0.19 -0.20 -0.44 -1.51 0.00 0.00 179.97 177.76 1uqr h ASP 87 N -0.30 0.00 -0.22 -3.80 3.32 -1.04 -1.29 116.42 113.10 1uqr h ASP 87 Ca 0.04 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.04 1uqr h ASP 87 Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1uqr h ASP 87 CO -0.14 0.20 -0.09 0.00 -1.72 0.00 0.00 179.24 177.49 1uqr h ALA 88 N 1.80 0.31 -0.73 3.45 0.00 -0.80 0.20 119.26 123.49 1uqr h ALA 88 Ca -0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1uqr h ALA 88 Cb 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1uqr h ALA 88 CO 0.03 0.13 0.22 -0.07 0.00 0.00 0.00 179.25 179.56 1uqr h LEU 89 N 0.16 1.07 -0.71 0.00 3.38 -0.74 -2.60 115.31 115.87 1uqr h LEU 89 Ca 0.05 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 1uqr h LEU 89 Cb 0.57 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1uqr h LEU 89 CO 0.03 0.99 -0.33 -0.07 0.09 0.00 0.00 178.44 179.15 1uqr h LEU 90 N 1.09 0.65 -1.48 1.67 3.38 -1.18 -3.04 115.31 116.40 1uqr h LEU 90 Ca 0.24 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1uqr h LEU 90 Cb 0.31 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1uqr h LEU 90 CO -0.01 0.93 -0.06 0.00 0.09 0.00 0.00 178.44 179.39 1uqr h ALA 91 N 1.11 1.58 -0.01 1.53 0.00 -0.58 -2.83 119.26 120.06 1uqr h ALA 91 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1uqr h ALA 91 Cb 0.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1uqr h ALA 91 CO 0.07 0.31 -0.40 1.33 0.00 0.00 0.00 179.25 180.55 1uqr n VAL 92 N -4.33 0.00 -3.81 0.00 0.24 -1.05 -4.98 118.33 104.40 1uqr n VAL 92 Ca -0.00 -0.10 -0.24 0.00 -2.04 0.00 0.00 64.34 61.96 1uqr n VAL 92 Cb 0.22 0.50 0.02 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 -0.87 -1.50 -4.22 -1.34 7.64 -1.07 -4.74 113.62 107.53 1uqr n SER 93 Ca 0.09 -0.87 -0.33 0.00 1.01 0.00 0.00 58.87 58.78 1uqr n SER 93 Cb 0.36 -3.75 -0.16 0.00 -1.01 0.00 0.00 64.21 59.65 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 -3.68 2.41 0.49 0.44 1.01 -1.26 -5.08 121.20 115.53 1uqr s ILE 94 Ca 0.11 -0.86 -0.23 0.00 0.00 0.00 0.00 60.65 59.68 1uqr s ILE 94 Cb -0.06 -2.00 -0.07 0.00 0.01 0.00 0.00 42.46 40.35 1uqr s ILE 94 CO 0.84 0.53 1.33 -2.16 0.00 0.00 0.00 174.94 175.47 1uqr s PRO 95 N 0.85 3.48 0.04 2.79 0.04 -1.26 -4.79 135.00 136.15 1uqr s PRO 95 Ca -0.05 2.17 -0.03 0.00 0.04 0.00 0.00 61.00 63.13 1uqr s PRO 95 Cb -0.15 -2.44 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 1uqr s PRO 95 CO -0.01 -0.90 0.03 -0.59 0.04 0.00 0.00 177.00 175.57 1uqr s PHE 96 N -1.32 0.33 -0.09 0.56 -0.71 -1.26 -1.59 117.98 113.90 1uqr s PHE 96 Ca 0.66 -0.73 0.04 0.00 -1.04 0.00 0.00 56.93 55.85 1uqr s PHE 96 Cb -0.39 -0.24 -0.01 0.00 -1.21 0.00 0.00 43.02 41.17 1uqr s PHE 96 CO 0.47 -0.35 -0.21 0.42 -1.34 0.00 0.00 175.22 174.22 1uqr s ILE 97 N -2.96 2.41 -0.14 -4.49 1.01 -0.45 -0.51 121.20 116.06 1uqr s ILE 97 Ca -0.02 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.56 1uqr s ILE 97 Cb 0.01 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 1uqr s ILE 97 CO -0.06 0.56 0.34 -0.70 0.00 0.00 0.00 174.94 175.08 1uqr s GLU 98 N 0.07 4.25 -0.02 2.79 2.12 -0.73 -1.28 118.70 125.91 1uqr s GLU 98 Ca -0.09 0.20 0.06 0.00 0.36 0.00 0.00 54.97 55.50 1uqr s GLU 98 Cb -0.15 -3.42 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 1uqr s GLU 98 CO 0.06 0.24 -0.21 0.08 -0.54 0.00 0.00 175.26 174.89 1uqr s VAL 99 N 0.42 1.63 -0.03 3.70 1.01 -0.15 -0.94 120.40 126.04 1uqr s VAL 99 Ca 0.19 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1uqr s VAL 99 Cb -0.14 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 34.91 1uqr s VAL 99 CO 0.06 0.46 -0.01 -1.00 0.00 0.00 0.00 175.10 174.61 1uqr s HIS 100 N -0.49 0.39 0.11 5.22 3.76 -0.33 -4.09 115.29 119.86 1uqr s HIS 100 Ca 0.08 -0.04 -0.17 0.00 -0.15 0.00 0.00 55.06 54.78 1uqr s HIS 100 Cb -0.08 -0.41 -0.04 0.00 1.11 0.00 0.00 32.58 33.16 1uqr s HIS 100 CO -0.01 -0.12 1.60 -0.07 -0.85 0.00 0.00 174.74 175.29 1uqr h LEU 101 N 7.03 0.54-10.38 0.89 3.38 -1.87 -1.56 115.31 113.34 1uqr h LEU 101 Ca -0.40 -0.25 -0.45 0.00 0.09 0.00 0.00 57.88 56.87 1uqr h LEU 101 Cb 1.15 -0.14 0.03 0.00 0.09 0.00 0.00 40.66 41.78 1uqr h LEU 101 CO 0.48 0.66 -0.15 -0.94 0.09 0.00 0.00 178.44 178.58 1uqr s SER 102 N -5.97 5.77 -0.70 -0.43 1.04 -1.26 -1.52 113.70 110.63 1uqr s SER 102 Ca -0.13 0.10 -0.24 0.00 0.48 0.00 0.00 55.95 56.15 1uqr s SER 102 Cb 0.09 -1.32 0.05 0.00 0.10 0.00 0.00 66.02 64.94 1uqr s SER 102 CO 0.76 -0.71 1.10 0.21 0.98 0.00 0.00 173.24 175.58 1uqr s ASN 103 N -4.25 6.18 0.60 7.02 3.84 -1.26 -1.94 114.94 125.13 1uqr s ASN 103 Ca 0.49 -0.78 0.31 0.00 0.21 0.00 0.00 52.86 53.09 1uqr s ASN 103 Cb -0.10 -2.48 1.84 0.00 -0.55 0.00 0.00 41.25 39.96 1uqr s ASN 103 CO 0.36 -1.60 2.21 -0.37 -2.79 0.00 0.00 177.10 174.91 1uqr h VAL 104 N 6.00 0.43 -0.00 -5.21 -1.51 -1.90 -1.49 116.25 112.58 1uqr h VAL 104 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1uqr h VAL 104 Cb 1.06 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1uqr h VAL 104 CO 1.23 0.00 -0.10 1.41 -1.23 0.00 0.00 177.57 178.88 1uqr n HIS 105 N -3.71 0.00 -0.38 5.19 8.25 -1.26 -3.35 115.22 119.96 1uqr n HIS 105 Ca -0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.55 1uqr n HIS 105 Cb 0.17 -0.42 0.33 0.00 1.12 0.00 0.00 29.99 31.19 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 -1.45 2.67 -2.76 -1.41 0.00 -0.56 -4.94 120.51 112.06 1uqr n ALA 106 Ca 0.08 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.15 1uqr n ALA 106 Cb 0.33 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 1.40 3.97 -1.87 0.00 1.74 -1.21 -5.08 116.66 115.62 1uqr n ARG 107 Ca 0.24 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.96 1uqr n ARG 107 Cb 0.71 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.20 1uqr n ARG 107 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1uqr s GLU 108 N 2.37 2.79 0.43 5.56 8.01 -1.26 -4.90 118.70 131.70 1uqr s GLU 108 Ca 0.00 1.98 0.17 0.00 0.01 0.00 0.00 54.97 57.13 1uqr s GLU 108 Cb 0.00 -1.92 1.09 0.00 -4.31 0.00 0.00 34.13 28.99 1uqr s GLU 108 CO 0.00 -1.39 1.91 -1.35 0.01 0.00 0.00 175.26 174.44 1uqr h PRO 109 N 0.78 0.37 0.00 0.39 0.11 -1.96 -1.21 132.00 130.49 1uqr h PRO 109 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1uqr h PRO 109 Cb 1.32 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1uqr h PRO 109 CO 0.54 0.25 0.00 0.27 -0.21 0.00 0.00 178.00 178.85 1uqr h PHE 110 N 0.38 0.00 -0.01 0.65 -5.15 -1.97 -1.72 116.94 109.13 1uqr h PHE 110 Ca 0.39 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.16 1uqr h PHE 110 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.12 1uqr h PHE 110 CO -0.00 0.00 -0.02 0.54 -2.00 0.00 0.00 178.31 176.82 1uqr n ARG 111 N -2.31 1.39 0.22 6.09 1.74 -0.46 -3.67 116.66 119.67 1uqr n ARG 111 Ca 0.01 -0.67 0.13 0.00 -0.77 0.00 0.00 57.85 56.55 1uqr n ARG 111 Cb 0.17 -1.49 0.25 0.00 -1.02 0.00 0.00 32.46 30.38 1uqr n ARG 111 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1uqr h HIS 112 N 1.62 0.00 -2.75 -1.55 3.86 -1.44 -3.43 115.15 111.47 1uqr h HIS 112 Ca 0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 1uqr h HIS 112 Cb 0.38 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.77 1uqr h HIS 112 CO 0.00 0.00 -0.50 -1.58 0.86 0.00 0.00 177.93 176.71 1uqr s HIS 113 N -3.27 3.54 0.02 2.45 5.65 -1.24 -5.05 115.29 117.39 1uqr s HIS 113 Ca 0.06 0.47 0.01 0.00 0.25 0.00 0.00 55.06 55.85 1uqr s HIS 113 Cb 0.06 -1.91 -0.01 0.00 -1.18 0.00 0.00 32.58 29.54 1uqr s HIS 113 CO 0.65 0.70 -0.04 0.45 -0.65 0.00 0.00 174.74 175.84 1uqr s SER 114 N -1.09 0.41 0.00 9.88 0.15 -1.26 -4.23 113.70 117.56 1uqr s SER 114 Ca 0.16 -0.34 0.24 0.00 0.70 0.00 0.00 55.95 56.70 1uqr s SER 114 Cb -0.12 0.03 0.38 0.00 -1.71 0.00 0.00 66.02 64.61 1uqr s SER 114 CO 0.05 -0.15 1.37 -1.22 1.20 0.00 0.00 173.24 174.49 1uqr n TYR 115 N 2.10 0.27 -0.02 3.44 4.01 0.26 -4.45 117.16 122.76 1uqr n TYR 115 Ca -0.19 -0.13 -0.03 0.00 -0.16 0.00 0.00 57.90 57.39 1uqr n TYR 115 Cb 0.56 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.57 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 1.31 1.26 -0.32 7.72 4.77 -1.26 -4.68 117.00 125.82 1uqr n LEU 116 Ca 0.17 -0.01 0.08 0.00 -0.03 0.00 0.00 56.01 56.22 1uqr n LEU 116 Cb 0.58 -0.02 0.24 0.00 -2.33 0.00 0.00 43.42 41.89 1uqr n LEU 116 CO 0.15 0.31 1.14 0.28 -1.33 0.00 0.00 177.39 177.94 1uqr h SER 117 N 0.00 0.66 0.84 -1.43 0.02 -1.91 -2.20 113.55 109.54 1uqr h SER 117 Ca -0.11 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1uqr h SER 117 Cb 1.22 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.73 1uqr h SER 117 CO -0.00 0.29 -0.02 -2.24 -1.14 0.00 0.00 176.83 173.72 1uqr h ASP 118 N 0.73 0.00 -0.17 3.07 -0.00 -1.87 -2.91 116.42 115.27 1uqr h ASP 118 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.51 1uqr h ASP 118 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.98 1uqr h ASP 118 CO -0.34 0.02 0.00 1.33 -0.00 0.00 0.00 179.24 180.25 1uqr n VAL 119 N -3.12 0.38 -2.51 4.15 0.24 -0.87 -4.98 118.33 111.62 1uqr n VAL 119 Ca -0.00 -0.69 -0.31 0.00 -2.04 0.00 0.00 64.34 61.30 1uqr n VAL 119 Cb 0.27 0.99 -0.03 0.00 -1.47 0.00 0.00 33.84 33.60 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 -1.09 3.15 0.15 2.33 0.00 -0.95 -4.84 121.76 120.51 1uqr s ALA 120 Ca 0.21 0.05 -0.13 0.00 0.00 0.00 0.00 51.96 52.09 1uqr s ALA 120 Cb 0.13 -2.99 0.02 0.00 0.00 0.00 0.00 23.12 20.28 1uqr s ALA 120 CO 0.18 -0.19 1.63 -0.22 0.00 0.00 0.00 175.76 177.16 1uqr h LYS 121 N 0.95 0.81 -2.84 0.00 1.63 -1.12 -3.47 116.57 112.54 1uqr h LYS 121 Ca -0.47 -0.22 0.08 0.00 -0.85 0.00 0.00 60.65 59.20 1uqr h LYS 121 Cb 1.19 -0.09 -0.07 0.00 -0.60 0.00 0.00 32.23 32.65 1uqr h LYS 121 CO 0.62 0.82 0.29 0.20 -3.45 0.00 0.00 179.45 177.93 1uqr s GLY 122 N -3.29 -0.20 -0.01 5.01 0.00 -1.25 -5.06 107.32 102.52 1uqr s GLY 122 Ca -0.13 -0.08 0.03 0.00 0.00 0.00 0.00 44.72 44.55 1uqr s GLY 122 CO 0.80 -0.03 -0.09 0.14 0.00 0.00 0.00 173.10 173.92 1uqr s VAL 123 N -3.74 0.76 -0.17 1.40 1.01 -1.26 -1.77 120.40 116.63 1uqr s VAL 123 Ca 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1uqr s VAL 123 Cb -0.04 -0.64 0.04 0.00 0.00 0.00 0.00 36.38 35.73 1uqr s VAL 123 CO 0.03 0.22 -0.09 -0.63 0.00 0.00 0.00 175.10 174.63 1uqr s ILE 124 N -0.16 1.37 -0.05 2.22 1.01 -0.12 -4.97 121.20 120.50 1uqr s ILE 124 Ca 0.03 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1uqr s ILE 124 Cb -0.04 -1.44 0.02 0.00 0.01 0.00 0.00 42.46 41.00 1uqr s ILE 124 CO -0.00 0.23 -0.05 0.00 0.00 0.00 0.00 174.94 175.12 1uqr n GLY 126 N 4.11 0.76 1.86 0.00 0.00 -0.59 -4.69 105.19 106.64 1uqr n GLY 126 Ca -0.23 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.86 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 5.62 0.00 0.99 4.77 -1.20 -4.65 117.00 122.53 1uqr n LEU 127 Ca 0.00 -2.85 0.00 0.00 -0.03 0.00 0.00 56.01 53.13 1uqr n LEU 127 Cb 0.00 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1uqr n LEU 127 CO 0.00 0.66 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 1uqr n GLY 128 N 0.71 0.51 0.28 -0.72 0.00 -0.58 -3.39 105.19 102.00 1uqr n GLY 128 Ca 0.28 -0.89 0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.80 1.49 0.00 4.61 0.00 -1.94 -1.75 119.26 120.86 1uqr h ALA 129 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1uqr h ALA 129 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1uqr h ALA 129 CO 0.00 0.07 0.00 0.87 0.00 0.00 0.00 179.25 180.19 1uqr h LYS 130 N 0.00 0.00 -0.50 0.00 1.57 -1.99 -2.04 116.57 113.61 1uqr h LYS 130 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1uqr h LYS 130 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1uqr h LYS 130 CO 0.01 0.00 0.33 0.78 -0.57 0.00 0.00 179.45 179.99 1uqr h GLY 131 N 1.01 0.71 1.38 3.86 0.00 -1.39 -1.17 103.07 107.48 1uqr h GLY 131 Ca 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 1uqr h GLY 131 CO 0.00 0.26 -0.12 -0.97 0.00 0.00 0.00 176.54 175.71 1uqr h TYR 132 N 0.68 0.80 -0.55 5.60 0.05 -1.57 -1.65 116.97 120.34 1uqr h TYR 132 Ca 0.18 -0.15 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 1uqr h TYR 132 Cb -0.07 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.44 1uqr h TYR 132 CO 0.00 0.82 0.13 -0.44 -1.05 0.00 0.00 178.16 177.61 1uqr h ASP 133 N 0.66 0.85 -0.48 3.88 5.19 -1.34 -0.79 116.42 124.39 1uqr h ASP 133 Ca 0.11 -0.24 -0.11 0.00 -0.62 0.00 0.00 57.03 56.18 1uqr h ASP 133 Cb 0.59 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 1uqr h ASP 133 CO 0.04 0.87 -0.10 1.88 -3.12 0.00 0.00 179.24 178.80 1uqr h TYR 134 N 0.79 1.06 -0.64 4.55 0.05 -1.18 -0.37 116.97 121.24 1uqr h TYR 134 Ca 0.17 -0.21 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 1uqr h TYR 134 Cb 0.35 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 1uqr h TYR 134 CO 0.02 1.00 0.30 0.00 -1.05 0.00 0.00 178.16 178.43 1uqr h ALA 135 N 1.02 0.83 -0.61 3.88 0.00 -1.07 -0.84 119.26 122.47 1uqr h ALA 135 Ca 0.14 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1uqr h ALA 135 Cb 0.65 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1uqr h ALA 135 CO 0.04 0.40 0.12 1.25 0.00 0.00 0.00 179.25 181.07 1uqr h LEU 136 N 0.89 0.95 -0.86 0.00 5.85 -0.85 -1.22 115.31 120.07 1uqr h LEU 136 Ca 0.22 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1uqr h LEU 136 Cb 0.14 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1uqr h LEU 136 CO -0.03 0.96 0.44 -0.78 -0.34 0.00 0.00 178.44 178.69 1uqr h ASP 137 N 0.90 1.10 -0.23 1.25 1.82 -0.66 -1.35 116.42 119.26 1uqr h ASP 137 Ca 0.19 -0.12 -0.03 0.00 -0.39 0.00 0.00 57.03 56.67 1uqr h ASP 137 Cb 0.40 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 1uqr h ASP 137 CO 0.01 0.91 0.02 0.15 -1.61 0.00 0.00 179.24 178.72 1uqr h PHE 138 N 1.21 0.42 -0.35 0.28 3.57 -0.83 -0.45 116.94 120.79 1uqr h PHE 138 Ca 0.30 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.78 1uqr h PHE 138 Cb 0.08 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 1uqr h PHE 138 CO 0.01 0.55 0.10 0.00 -2.23 0.00 0.00 178.31 176.74 1uqr h ALA 139 N 0.82 0.40 -0.54 2.41 0.00 -0.99 -0.97 119.26 120.40 1uqr h ALA 139 Ca 0.07 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1uqr h ALA 139 Cb 0.37 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1uqr h ALA 139 CO 0.01 -0.29 0.04 0.82 0.00 0.00 0.00 179.25 179.83 1uqr h ILE 140 N 0.24 1.25 -0.56 0.00 2.04 -1.16 -1.69 117.51 117.63 1uqr h ILE 140 Ca 0.16 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 1uqr h ILE 140 Cb 0.16 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1uqr h ILE 140 CO -0.18 0.36 0.33 0.28 0.00 0.00 0.00 178.15 178.94 1uqr h SER 141 N 0.83 0.68 -0.14 1.72 0.02 -0.41 0.14 113.55 116.39 1uqr h SER 141 Ca 0.16 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1uqr h SER 141 Cb 0.44 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1uqr h SER 141 CO 0.02 0.54 0.07 -0.33 -1.14 0.00 0.00 176.83 175.99 1uqr h GLU 142 N 0.75 0.20 -0.46 3.45 4.39 -0.94 -2.12 114.58 119.85 1uqr h GLU 142 Ca 0.20 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.83 1uqr h GLU 142 Cb -0.01 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1uqr h GLU 142 CO -0.04 0.24 0.10 -0.07 -1.16 0.00 0.00 179.01 178.09 1uqr h LEU 143 N 0.10 0.65 -0.84 1.33 3.38 -1.01 -2.00 115.31 116.92 1uqr h LEU 143 Ca 0.05 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1uqr h LEU 143 Cb 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1uqr h LEU 143 CO -0.01 0.65 -0.18 1.56 0.09 0.00 0.00 178.44 180.56 1uqr h GLN 144 N 0.68 0.67 -0.35 1.13 4.20 -0.50 -0.44 115.11 120.50 1uqr h GLN 144 Ca 0.15 -0.24 -0.14 0.00 0.06 0.00 0.00 58.65 58.48 1uqr h GLN 144 Cb 0.27 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1uqr h GLN 144 CO -0.00 0.81 -0.35 0.87 -0.67 0.00 0.00 178.83 179.48 1uqr h LYS 145 N 0.60 0.81 -0.48 1.46 1.57 -1.02 -2.03 116.57 117.47 1uqr h LYS 145 Ca 0.09 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.42 1uqr h LYS 145 Cb 0.64 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1uqr h LYS 145 CO 0.04 1.03 0.10 0.82 -0.57 0.00 0.00 179.45 180.87 1uqr h ILE 146 N 0.67 1.24 -0.66 1.86 2.04 -1.00 -1.47 117.51 120.19 1uqr h ILE 146 Ca 0.06 -0.87 -0.07 0.00 1.00 0.00 0.00 64.86 64.98 1uqr h ILE 146 Cb 0.91 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1uqr h ILE 146 CO 0.08 0.31 0.14 -0.61 0.00 0.00 0.00 178.15 178.08 1uqr h GLN 147 N 0.65 1.06 -0.43 2.37 4.15 -0.99 -1.40 115.11 120.52 1uqr h GLN 147 Ca 0.15 -0.26 -0.10 0.00 0.77 0.00 0.00 58.65 59.21 1uqr h GLN 147 Cb 0.36 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1uqr h GLN 147 CO 0.01 0.96 -0.13 1.25 -1.93 0.00 0.00 178.83 178.99 1uqr h LEU 148 N 0.98 0.78 -0.62 -2.39 5.85 -1.27 -1.75 115.31 116.90 1uqr h LEU 148 Ca 0.20 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1uqr h LEU 148 Cb 0.39 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1uqr h LEU 148 CO 0.01 0.92 0.41 1.23 -0.34 0.00 0.00 178.44 180.67 1uqr h GLY 149 N 0.97 0.88 1.36 3.75 0.00 -0.85 -0.76 103.07 108.42 1uqr h GLY 149 Ca 0.12 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1uqr h GLY 149 CO 0.04 0.31 0.19 0.83 0.00 0.00 0.00 176.54 177.91 1uqr h GLU 150 N 0.83 0.82 -0.16 4.80 5.08 -0.89 -2.25 114.58 122.80 1uqr h GLU 150 Ca 0.23 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1uqr h GLU 150 Cb -0.09 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1uqr h GLU 150 CO -0.06 0.70 0.00 1.98 -1.00 0.00 0.00 179.01 180.63 1uqr h MET 151 N 0.80 0.29 0.00 2.33 4.05 -0.60 -2.89 114.93 118.92 1uqr h MET 151 Ca 0.19 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 1uqr h MET 151 Cb 0.21 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1uqr h MET 151 CO -0.01 0.51 0.00 -1.33 0.23 0.00 0.00 176.91 176.30 1uqr n MET 152 N -4.74 0.76 -4.01 0.39 2.81 -0.36 -4.59 117.12 107.39 1uqr n MET 152 Ca -0.05 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.50 1uqr n MET 152 Cb 0.22 -1.21 -0.15 0.00 -0.71 0.00 0.00 33.22 31.37 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 -1.55 3.83 0.00 7.83 0.02 -0.88 -5.06 114.94 119.13 1uqr s ASN 153 Ca 0.15 -0.62 0.00 0.00 -1.02 0.00 0.00 52.86 51.37 1uqr s ASN 153 Cb 0.07 -1.61 0.00 0.00 0.02 0.00 0.00 41.25 39.73 1uqr s ASN 153 CO 0.12 -0.04 0.00 0.61 0.02 0.00 0.00 177.10 177.81