#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 3.52 0.10 3.17 2.47 -1.26 -4.95 119.74 122.78 1uqr s LYS 2 Ca 0.00 -0.63 0.09 0.00 -1.56 0.00 0.00 55.97 53.88 1uqr s LYS 2 Cb 0.00 -3.79 -0.04 0.00 -1.46 0.00 0.00 37.83 32.55 1uqr s LYS 2 CO 0.00 -0.43 -0.22 0.21 0.16 0.00 0.00 175.35 175.07 1uqr s LYS 3 N 1.72 1.71 -0.02 4.03 2.20 -1.26 -3.87 119.74 124.25 1uqr s LYS 3 Ca 0.06 -1.19 0.07 0.00 -0.36 0.00 0.00 55.97 54.56 1uqr s LYS 3 Cb -0.17 -2.03 -0.02 0.00 -1.51 0.00 0.00 37.83 34.09 1uqr s LYS 3 CO 0.10 0.49 -0.25 0.42 -0.36 0.00 0.00 175.35 175.75 1uqr s ILE 4 N -1.02 2.16 -0.17 5.43 1.01 -0.28 -0.75 121.20 127.58 1uqr s ILE 4 Ca 0.15 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1uqr s ILE 4 Cb -0.10 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.62 1uqr s ILE 4 CO 0.07 0.58 -0.17 -0.22 0.00 0.00 0.00 174.94 175.20 1uqr s LEU 5 N -0.61 2.33 -0.23 2.97 2.96 -0.30 -0.64 118.68 125.16 1uqr s LEU 5 Ca 0.10 -0.55 -0.15 0.00 -0.22 0.00 0.00 54.13 53.31 1uqr s LEU 5 Cb -0.10 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 1uqr s LEU 5 CO -0.01 0.04 0.35 -0.22 -1.32 0.00 0.00 176.35 175.19 1uqr s LEU 6 N 1.09 4.11 -0.09 -0.68 2.96 0.52 -1.13 118.68 125.45 1uqr s LEU 6 Ca -0.00 0.37 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 1uqr s LEU 6 Cb -0.14 -2.41 -0.00 0.00 0.50 0.00 0.00 46.19 44.13 1uqr s LEU 6 CO -0.06 -0.09 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.89 1uqr s LEU 7 N 1.53 2.05 -0.06 -0.68 1.43 0.17 -1.26 118.68 121.85 1uqr s LEU 7 Ca 0.16 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 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 0.16 -0.19 0.20 0.23 0.00 0.00 176.35 176.83 1uqr s ASN 8 N 0.29 2.48 0.21 2.29 0.01 -0.41 -1.12 114.94 118.69 1uqr s ASN 8 Ca -0.16 -0.42 0.00 0.00 -0.71 0.00 0.00 52.86 51.57 1uqr s ASN 8 Cb -0.17 -0.84 0.00 0.00 0.41 0.00 0.00 41.25 40.65 1uqr s ASN 8 CO 0.08 0.16 0.00 0.61 -1.51 0.00 0.00 177.10 176.44 1uqr n GLY 9 N 3.27 -0.37 3.70 0.66 0.00 0.15 -2.62 105.19 109.98 1uqr n GLY 9 Ca -0.19 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.25 2.05 -0.11 1.61 -0.04 -1.04 -3.14 135.00 134.08 1uqr n PRO 10 Ca 0.00 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 1uqr n PRO 10 Cb 0.00 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 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 0.47 0.00 0.31 3.54 3.02 -1.26 -4.48 115.26 116.86 1uqr n ASN 11 Ca 0.05 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.80 1uqr n ASN 11 Cb 0.38 -0.65 0.95 0.00 -0.61 0.00 0.00 39.78 39.85 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 -0.22 3.41 -0.00 -1.92 -0.92 115.31 115.67 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 -3.18 0.21 -0.23 -0.43 6.94 -1.26 -2.28 115.26 115.03 1uqr n ASN 13 Ca -0.02 0.55 0.14 0.00 -0.02 0.00 0.00 54.58 55.24 1uqr n ASN 13 Cb 0.18 -0.60 0.65 0.00 -2.36 0.00 0.00 39.78 37.66 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 -1.73 1.13 -1.68 -3.83 2.81 -0.35 -4.77 117.12 108.70 1uqr n MET 14 Ca 0.03 -0.45 -0.45 0.00 -1.81 0.00 0.00 57.70 55.02 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 -0.54 3.40 0.00 4.03 4.77 -0.97 -2.09 117.00 125.60 1uqr n LEU 15 Ca 0.18 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.23 1uqr n LEU 15 Cb 0.27 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.88 1uqr n LEU 15 CO 0.20 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1uqr n GLY 16 N 3.63 0.33 0.05 -0.72 0.00 -1.17 -4.01 105.19 103.31 1uqr n GLY 16 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.53 0.64 0.00 1.61 4.76 -0.89 -4.74 118.16 118.01 1uqr n LYS 17 Ca 0.00 -0.06 0.06 0.00 -2.87 0.00 0.00 58.31 55.45 1uqr n LYS 17 Cb 0.18 -1.63 0.01 0.00 -1.84 0.00 0.00 35.03 31.75 1uqr n LYS 17 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1uqr n ARG 18 N -2.47 1.63 -0.06 1.97 0.63 -1.26 -5.18 116.66 111.91 1uqr n ARG 18 Ca -0.06 -0.85 -0.07 0.00 -0.92 0.00 0.00 57.85 55.96 1uqr n ARG 18 Cb 0.64 -1.19 -0.08 0.00 0.45 0.00 0.00 32.46 32.27 1uqr n ARG 18 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1uqr n SER 25 N 0.05 2.36 -4.73 6.15 2.88 -1.26 -5.15 113.62 113.92 1uqr n SER 25 Ca 0.06 -0.02 -0.42 0.00 -1.33 0.00 0.00 58.87 57.16 1uqr n SER 25 Cb 0.28 0.52 -0.02 0.00 -0.75 0.00 0.00 64.21 64.24 1uqr n SER 25 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1uqr s GLN 26 N -2.28 4.13 0.44 -1.46 0.74 -1.26 -4.71 119.66 115.26 1uqr s GLN 26 Ca -0.09 2.58 0.08 0.00 0.05 0.00 0.00 55.36 57.97 1uqr s GLN 26 Cb 0.04 -3.06 -0.00 0.00 1.10 0.00 0.00 33.01 31.09 1uqr s GLN 26 CO 0.43 -0.69 0.43 0.95 -0.55 0.00 0.00 175.29 175.87 1uqr s THR 27 N 0.65 2.59 0.20 -0.34 -4.23 -1.26 -3.06 115.64 110.18 1uqr s THR 27 Ca 0.69 -1.28 -0.11 0.00 -1.18 0.00 0.00 61.69 59.81 1uqr s THR 27 Cb -0.48 -2.87 0.13 0.00 1.34 0.00 0.00 72.50 70.61 1uqr s THR 27 CO 0.39 0.00 1.81 0.25 -0.54 0.00 0.00 174.62 176.53 1uqr h LEU 28 N 0.90 0.88 -1.00 4.79 5.85 -1.79 -2.29 115.31 122.64 1uqr h LEU 28 Ca -0.40 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1uqr h LEU 28 Cb 1.27 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1uqr h LEU 28 CO 0.55 0.72 0.62 -1.28 -0.34 0.00 0.00 178.44 178.70 1uqr h SER 29 N 0.97 1.13 -0.51 1.25 0.87 -1.93 0.29 113.55 115.62 1uqr h SER 29 Ca 0.25 -0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.79 1uqr h SER 29 Cb 0.04 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.67 1uqr h SER 29 CO -0.04 0.84 0.29 0.44 -0.53 0.00 0.00 176.83 177.83 1uqr h ASP 30 N 1.32 0.44 -0.21 6.23 3.32 -1.82 -0.68 116.42 125.04 1uqr h ASP 30 Ca 0.35 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.39 1uqr h ASP 30 Cb -0.11 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1uqr h ASP 30 CO -0.07 0.31 0.03 0.40 -1.72 0.00 0.00 179.24 178.19 1uqr h ILE 31 N 0.56 1.23 -0.13 0.35 2.04 -0.93 -1.36 117.51 119.28 1uqr h ILE 31 Ca 0.21 -0.77 0.02 0.00 1.00 0.00 0.00 64.86 65.32 1uqr h ILE 31 Cb 0.07 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1uqr h ILE 31 CO -0.12 0.24 0.03 -0.33 0.00 0.00 0.00 178.15 177.97 1uqr h GLU 32 N 0.14 0.08 -0.48 2.37 5.08 -0.70 -0.39 114.58 120.67 1uqr h GLU 32 Ca 0.06 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 1uqr h GLU 32 Cb 0.33 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1uqr h GLU 32 CO 0.01 0.05 0.11 1.96 -1.00 0.00 0.00 179.01 180.14 1uqr h GLN 33 N 0.08 0.78 -0.18 2.33 1.08 -1.13 -1.28 115.11 116.78 1uqr h GLN 33 Ca 0.06 -0.19 0.01 0.00 -1.45 0.00 0.00 58.65 57.08 1uqr h GLN 33 Cb 0.05 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1uqr h GLN 33 CO -0.08 0.76 0.10 1.25 -0.95 0.00 0.00 178.83 179.92 1uqr h HIS 34 N 0.66 0.19 -0.69 2.96 -0.00 -1.05 -0.85 115.15 116.38 1uqr h HIS 34 Ca 0.15 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.45 1uqr h HIS 34 Cb 0.33 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.65 1uqr h HIS 34 CO 0.02 0.12 0.14 1.25 -0.00 0.00 0.00 177.93 179.46 1uqr h LEU 35 N 0.22 1.07 -0.70 0.26 5.85 -0.98 -0.47 115.31 120.55 1uqr h LEU 35 Ca 0.07 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 1uqr h LEU 35 Cb -0.00 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 1uqr h LEU 35 CO -0.03 1.05 0.16 -0.61 -0.34 0.00 0.00 178.44 178.67 1uqr h GLN 36 N 1.06 1.13 -0.21 1.25 4.15 -1.01 -0.06 115.11 121.41 1uqr h GLN 36 Ca 0.21 -0.28 -0.17 0.00 0.77 0.00 0.00 58.65 59.19 1uqr h GLN 36 Cb 0.41 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 1uqr h GLN 36 CO 0.01 1.00 -0.57 1.96 -1.93 0.00 0.00 178.83 179.30 1uqr h GLN 37 N 1.07 0.65 -0.41 1.69 4.20 -0.94 -1.37 115.11 120.00 1uqr h GLN 37 Ca 0.22 -0.42 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 1uqr h GLN 37 Cb 0.38 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1uqr h GLN 37 CO 0.00 1.04 0.12 1.03 -0.67 0.00 0.00 178.83 180.35 1uqr h SER 38 N 0.49 0.60 -0.64 1.46 0.87 -0.81 -0.33 113.55 115.20 1uqr h SER 38 Ca 0.01 -0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.33 1uqr h SER 38 Cb 1.13 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.91 1uqr h SER 38 CO 0.11 0.65 0.30 0.00 -0.53 0.00 0.00 176.83 177.37 1uqr h ALA 39 N 0.97 0.82 -0.73 6.23 0.00 -0.93 -2.10 119.26 123.52 1uqr h ALA 39 Ca 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1uqr h ALA 39 Cb 0.27 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1uqr h ALA 39 CO -0.00 0.39 0.37 0.37 0.00 0.00 0.00 179.25 180.38 1uqr h GLN 40 N 0.88 1.04 -0.10 0.00 5.75 -0.93 0.17 115.11 121.92 1uqr h GLN 40 Ca 0.22 -0.14 -0.03 0.00 -0.15 0.00 0.00 58.65 58.54 1uqr h GLN 40 Cb 0.12 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 1uqr h GLN 40 CO -0.03 0.80 -0.10 0.00 -2.65 0.00 0.00 178.83 176.86 1uqr h ALA 41 N 1.19 1.67 -0.07 3.38 0.00 -0.73 -0.78 119.26 123.91 1uqr h ALA 41 Ca 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1uqr h ALA 41 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1uqr h ALA 41 CO -0.04 0.25 0.00 1.04 0.00 0.00 0.00 179.25 180.50 1uqr n GLN 42 N -4.35 1.50 -0.47 0.00 6.02 -0.74 -4.92 117.38 114.42 1uqr n GLN 42 Ca -0.01 -0.74 0.00 0.00 -0.01 0.00 0.00 57.00 56.24 1uqr n GLN 42 Cb 0.22 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.05 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 1.08 0.71 3.25 1.08 0.00 -0.30 -5.07 105.19 105.94 1uqr n GLY 43 Ca 0.18 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 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 1.68 -0.24 1.61 2.02 0.52 -4.98 117.35 115.96 1uqr s TYR 44 Ca 0.00 -0.40 -0.17 0.00 -0.37 0.00 0.00 57.07 56.13 1uqr s TYR 44 Cb 0.00 -0.96 -0.03 0.00 -0.40 0.00 0.00 41.96 40.57 1uqr s TYR 44 CO 0.00 0.14 0.49 -2.00 -1.57 0.00 0.00 175.55 172.60 1uqr s GLU 45 N -1.56 4.10 -0.12 -0.62 2.12 -1.25 -2.50 118.70 118.87 1uqr s GLU 45 Ca 0.05 0.29 0.03 0.00 0.36 0.00 0.00 54.97 55.71 1uqr s GLU 45 Cb -0.09 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.68 1uqr s GLU 45 CO 0.03 -0.26 -0.21 -1.17 -0.54 0.00 0.00 175.26 173.10 1uqr s LEU 46 N 2.03 2.21 0.19 2.70 0.20 -1.26 -1.12 118.68 123.61 1uqr s LEU 46 Ca 0.21 -0.53 0.05 0.00 0.69 0.00 0.00 54.13 54.54 1uqr s LEU 46 Cb -0.15 -1.46 -0.04 0.00 -0.43 0.00 0.00 46.19 44.11 1uqr s LEU 46 CO 0.09 0.13 0.21 -1.81 -0.29 0.00 0.00 176.35 174.69 1uqr s ASP 47 N 0.50 5.82 0.05 3.68 1.01 0.19 -4.89 116.67 123.03 1uqr s ASP 47 Ca -0.14 -0.05 0.00 0.00 0.71 0.00 0.00 52.55 53.07 1uqr s ASP 47 Cb -0.17 -1.60 -0.03 0.00 1.01 0.00 0.00 42.92 42.12 1uqr s ASP 47 CO 0.05 0.03 -0.04 -0.72 0.21 0.00 0.00 175.17 174.69 1uqr s TYR 48 N -1.85 0.57 -0.16 4.23 1.13 -1.26 -0.36 117.35 119.65 1uqr s TYR 48 Ca 0.33 -0.84 -0.28 0.00 -1.41 0.00 0.00 57.07 54.86 1uqr s TYR 48 Cb -0.10 -0.38 0.07 0.00 -1.10 0.00 0.00 41.96 40.46 1uqr s TYR 48 CO 0.26 -0.25 0.71 0.12 -2.51 0.00 0.00 175.55 173.88 1uqr s PHE 49 N -2.98 -0.71 -0.02 -3.49 5.36 -0.39 -4.94 117.98 110.80 1uqr s PHE 49 Ca 0.01 1.50 -0.03 0.00 -0.96 0.00 0.00 56.93 57.45 1uqr s PHE 49 Cb 0.01 0.34 0.00 0.00 -0.34 0.00 0.00 43.02 43.04 1uqr s PHE 49 CO -0.05 -0.49 0.06 -1.14 -1.46 0.00 0.00 175.22 172.13 1uqr s GLN 50 N -0.44 0.15 0.13 10.12 -0.44 -1.26 -1.28 119.66 126.64 1uqr s GLN 50 Ca -0.06 -0.05 -0.21 0.00 -2.50 0.00 0.00 55.36 52.54 1uqr s GLN 50 Cb -0.02 0.07 0.06 0.00 -1.64 0.00 0.00 33.01 31.47 1uqr s GLN 50 CO 0.05 -0.03 0.54 0.00 0.50 0.00 0.00 175.29 176.36 1uqr s ALA 51 N -0.31 -1.40 -1.15 1.58 0.00 -1.08 -4.99 121.76 114.41 1uqr s ALA 51 Ca -0.04 0.40 0.18 0.00 0.00 0.00 0.00 51.96 52.50 1uqr s ALA 51 Cb -0.03 0.74 0.64 0.00 0.00 0.00 0.00 23.12 24.47 1uqr s ALA 51 CO 0.00 -0.69 1.55 0.09 0.00 0.00 0.00 175.76 176.71 1uqr n ASN 52 N -0.19 4.33 -4.00 0.00 3.02 -1.26 -2.51 115.26 114.64 1uqr n ASN 52 Ca -0.17 -2.37 -0.08 0.00 -0.03 0.00 0.00 54.58 51.93 1uqr n ASN 52 Cb 0.64 -0.52 -0.10 0.00 -0.61 0.00 0.00 39.78 39.19 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 -1.03 0.30 0.17 7.41 0.00 -1.26 -4.74 107.32 108.17 1uqr s GLY 53 Ca 0.46 -0.82 -0.11 0.00 0.00 0.00 0.00 44.72 44.26 1uqr s GLY 53 CO 0.23 -0.93 1.68 0.83 0.00 0.00 0.00 173.10 174.91 1uqr h GLU 54 N 3.67 0.96 -0.19 2.90 5.08 -1.99 -2.56 114.58 122.46 1uqr h GLU 54 Ca -0.33 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 57.81 1uqr h GLU 54 Cb 1.17 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1uqr h GLU 54 CO 0.54 0.89 0.07 1.49 -1.00 0.00 0.00 179.01 181.00 1uqr h GLU 55 N 0.87 0.15 -0.56 2.33 4.81 -1.98 0.21 114.58 120.41 1uqr h GLU 55 Ca 0.18 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1uqr h GLU 55 Cb 0.37 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1uqr h GLU 55 CO 0.00 0.10 0.37 0.77 -0.73 0.00 0.00 179.01 179.53 1uqr h SER 56 N 0.16 0.65 -0.27 1.04 0.02 -1.98 0.29 113.55 113.46 1uqr h SER 56 Ca 0.08 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 1uqr h SER 56 Cb 0.04 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1uqr h SER 56 CO -0.08 0.47 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.93 1uqr h LEU 57 N 0.76 0.54 -0.72 5.07 3.38 -1.17 -2.26 115.31 120.92 1uqr h LEU 57 Ca 0.21 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1uqr h LEU 57 Cb -0.09 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1uqr h LEU 57 CO -0.04 0.79 0.24 0.40 0.09 0.00 0.00 178.44 179.91 1uqr h ILE 58 N 0.28 1.26 -0.65 1.22 2.04 -0.46 -1.20 117.51 120.00 1uqr h ILE 58 Ca 0.07 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 65.01 1uqr h ILE 58 Cb 0.56 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1uqr h ILE 58 CO 0.03 0.34 0.23 0.78 0.00 0.00 0.00 178.15 179.53 1uqr h ASN 59 N 1.05 0.89 -0.13 1.72 2.35 -0.87 -0.33 115.58 120.27 1uqr h ASN 59 Ca 0.23 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.74 1uqr h ASN 59 Cb 0.29 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1uqr h ASN 59 CO -0.01 0.82 -0.26 -0.09 -1.65 0.00 0.00 177.43 176.23 1uqr h ARG 60 N 0.94 0.58 -0.44 0.81 9.65 -0.92 -1.23 114.38 123.78 1uqr h ARG 60 Ca 0.22 -0.23 -0.07 0.00 -1.10 0.00 0.00 59.98 58.79 1uqr h ARG 60 Cb 0.22 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.76 1uqr h ARG 60 CO -0.01 0.79 0.00 0.82 2.80 0.00 0.00 179.97 184.37 1uqr h ILE 61 N 0.51 1.26 -0.69 1.20 2.04 -0.67 -2.34 117.51 118.82 1uqr h ILE 61 Ca 0.07 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.85 1uqr h ILE 61 Cb 0.72 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1uqr h ILE 61 CO 0.06 0.35 0.26 0.45 0.00 0.00 0.00 178.15 179.27 1uqr h HIS 62 N 0.61 1.05 0.00 1.37 3.86 -0.83 -2.04 115.15 119.17 1uqr h HIS 62 Ca 0.12 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 1uqr h HIS 62 Cb 0.49 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 1uqr h HIS 62 CO 0.04 0.81 -0.15 1.96 0.86 0.00 0.00 177.93 181.45 1uqr h GLN 63 N 1.01 0.00 0.00 2.45 4.20 -0.95 -2.11 115.11 119.70 1uqr h GLN 63 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1uqr h GLN 63 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1uqr h GLN 63 CO -0.02 0.15 0.00 0.00 -0.67 0.00 0.00 178.83 178.29 1uqr h ALA 64 N 1.85 1.00 -1.99 3.87 0.00 -0.83 -3.45 119.26 119.71 1uqr h ALA 64 Ca -0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.28 1uqr h ALA 64 Cb 0.36 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.19 1uqr h ALA 64 CO 0.02 0.00 0.78 0.34 0.00 0.00 0.00 179.25 180.39 1uqr n PHE 65 N -2.42 2.06 -0.83 0.00 -0.00 -0.80 -1.28 117.46 114.20 1uqr n PHE 65 Ca 0.04 0.34 0.00 0.00 -0.00 0.00 0.00 57.45 57.83 1uqr n PHE 65 Cb 0.40 -2.50 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 4.04 -0.07 0.00 -4.13 6.02 -1.26 -4.71 117.38 117.27 1uqr n GLN 66 Ca 0.20 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 1uqr n GLN 66 Cb 0.25 -3.31 0.00 0.00 1.02 0.00 0.00 30.24 28.19 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 -0.03 1.14 -4.44 1.08 0.23 -0.87 -5.04 115.26 107.32 1uqr n ASN 67 Ca 0.00 -0.14 -0.33 0.00 -0.53 0.00 0.00 54.58 53.58 1uqr n ASN 67 Cb 0.02 0.50 -0.13 0.00 -2.08 0.00 0.00 39.78 38.08 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 -0.73 3.18 -0.40 5.53 2.01 -0.40 -4.39 115.64 120.44 1uqr s THR 68 Ca 0.00 -0.64 0.22 0.00 0.31 0.00 0.00 61.69 61.57 1uqr s THR 68 Cb 0.00 -2.31 -0.28 0.00 0.01 0.00 0.00 72.50 69.92 1uqr s THR 68 CO 0.00 0.55 0.67 0.47 -0.69 0.00 0.00 174.62 175.62 1uqr n ASP 69 N 2.97 0.40 -3.60 3.53 9.92 0.08 -4.88 116.55 124.96 1uqr n ASP 69 Ca -0.18 -0.36 -0.16 0.00 -0.53 0.00 0.00 54.79 53.57 1uqr n ASP 69 Cb 0.53 1.56 -0.07 0.00 -0.64 0.00 0.00 41.12 42.50 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 -3.32 -0.63 -0.03 1.24 2.19 -1.18 -4.41 117.98 111.84 1uqr s PHE 70 Ca -0.02 1.27 0.06 0.00 0.33 0.00 0.00 56.93 58.57 1uqr s PHE 70 Cb 0.15 0.31 -0.01 0.00 -1.31 0.00 0.00 43.02 42.16 1uqr s PHE 70 CO 0.89 -0.48 -0.20 0.42 1.83 0.00 0.00 175.22 177.68 1uqr s ILE 71 N -0.61 1.62 -0.21 3.12 1.01 -0.55 -1.15 121.20 124.43 1uqr s ILE 71 Ca -0.07 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.71 1uqr s ILE 71 Cb -0.02 -1.36 0.01 0.00 0.01 0.00 0.00 42.46 41.09 1uqr s ILE 71 CO 0.06 0.46 -0.10 -0.63 0.00 0.00 0.00 174.94 174.73 1uqr s ILE 72 N -0.24 2.85 -0.04 2.92 1.01 -0.28 -1.63 121.20 125.79 1uqr s ILE 72 Ca 0.02 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.97 1uqr s ILE 72 Cb -0.10 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.10 1uqr s ILE 72 CO 0.01 0.44 -0.07 -0.51 0.00 0.00 0.00 174.94 174.81 1uqr s ILE 73 N 1.39 0.67 -0.39 2.92 2.07 -0.31 -0.66 121.20 126.90 1uqr s ILE 73 Ca 0.05 -0.24 -0.01 0.00 -1.41 0.00 0.00 60.65 59.04 1uqr s ILE 73 Cb -0.14 -0.65 0.11 0.00 0.13 0.00 0.00 42.46 41.91 1uqr s ILE 73 CO -0.07 0.24 0.17 0.21 -1.91 0.00 0.00 174.94 173.58 1uqr s ASN 74 N 0.64 5.13 0.00 4.50 3.84 -0.28 -0.84 114.94 127.94 1uqr s ASN 74 Ca -0.10 -2.07 0.21 0.00 0.21 0.00 0.00 52.86 51.11 1uqr s ASN 74 Cb -0.13 -1.78 1.10 0.00 -0.55 0.00 0.00 41.25 39.89 1uqr s ASN 74 CO 0.01 -0.50 1.68 -2.65 -2.79 0.00 0.00 177.10 172.85 1uqr n PRO 75 N 4.50 0.34 0.00 0.43 -0.02 -1.26 0.30 135.00 139.29 1uqr n PRO 75 Ca -0.01 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1uqr n PRO 75 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 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 0.51 2.57 0.30 -1.23 0.00 -1.26 -1.92 105.19 104.16 1uqr n GLY 76 Ca 0.11 -0.41 0.17 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.97 1.37 0.00 4.61 0.00 -1.95 -2.11 119.26 120.21 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 -0.00 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 1.19 0.00 0.00 0.00 179.25 180.46 1uqr n PHE 78 N -3.63 0.56 -0.19 0.00 3.72 -0.81 -1.81 117.46 115.30 1uqr n PHE 78 Ca -0.03 0.26 0.03 0.00 -0.05 0.00 0.00 57.45 57.65 1uqr n PHE 78 Cb 0.10 -0.91 0.29 0.00 -0.94 0.00 0.00 39.48 38.02 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 1.13 0.00 4.37 2.02 -1.50 -0.40 112.91 118.54 1uqr h THR 79 Ca 0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1uqr h THR 79 Cb 0.17 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1uqr h THR 79 CO 0.00 0.16 -0.70 1.41 0.37 0.00 0.00 175.52 176.77 1uqr n HIS 80 N -4.45 0.13 0.00 3.16 8.25 -0.75 -0.69 115.22 120.88 1uqr n HIS 80 Ca 0.09 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1uqr n HIS 80 Cb 0.10 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 30.89 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 -1.69 0.00 -3.00 1.59 -2.24 -1.00 -4.82 114.28 103.13 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 0.37 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.91 6.59 0.33 3.42 0.15 -0.19 -4.79 113.70 117.30 1uqr s SER 82 Ca 0.00 -2.05 0.13 0.00 0.70 0.00 0.00 55.95 54.74 1uqr s SER 82 Cb 0.00 -2.36 0.55 0.00 -1.71 0.00 0.00 66.02 62.50 1uqr s SER 82 CO 0.00 -1.01 1.71 0.58 1.20 0.00 0.00 173.24 175.72 1uqr h VAL 83 N 5.67 1.25 -0.74 4.45 2.07 -1.92 -2.88 116.25 124.15 1uqr h VAL 83 Ca 0.09 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 65.86 1uqr h VAL 83 Cb 1.03 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 1uqr h VAL 83 CO 1.05 0.48 0.39 0.00 0.02 0.00 0.00 177.57 179.51 1uqr h ALA 84 N 1.51 0.95 -0.22 1.67 0.00 -1.98 -0.28 119.26 120.92 1uqr h ALA 84 Ca -0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1uqr h ALA 84 Cb 0.92 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1uqr h ALA 84 CO 0.06 0.48 -0.55 0.82 0.00 0.00 0.00 179.25 180.06 1uqr h ILE 85 N 1.03 1.31 -0.06 0.00 2.04 -1.92 -1.17 117.51 118.75 1uqr h ILE 85 Ca 0.26 -1.78 0.03 0.00 1.00 0.00 0.00 64.86 64.37 1uqr h ILE 85 Cb 0.06 1.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1uqr h ILE 85 CO -0.04 0.56 -0.11 -0.09 0.00 0.00 0.00 178.15 178.47 1uqr h ARG 86 N 0.50 -0.16 0.00 2.37 2.43 -1.25 -1.15 114.38 117.12 1uqr h ARG 86 Ca 0.01 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1uqr h ARG 86 Cb 1.12 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1uqr h ARG 86 CO 0.11 -0.11 -0.18 -0.44 -1.51 0.00 0.00 179.97 177.84 1uqr h ASP 87 N -0.16 0.00 -0.21 -3.80 3.32 -0.92 -1.48 116.42 113.17 1uqr h ASP 87 Ca 0.06 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1uqr h ASP 87 Cb 0.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1uqr h ASP 87 CO -0.15 0.18 -0.23 0.00 -1.72 0.00 0.00 179.24 177.32 1uqr h ALA 88 N 1.82 0.30 -0.71 3.45 0.00 -0.52 -0.19 119.26 123.41 1uqr h ALA 88 Ca -0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1uqr h ALA 88 Cb 0.38 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1uqr h ALA 88 CO 0.02 0.26 0.21 -0.07 0.00 0.00 0.00 179.25 179.67 1uqr h LEU 89 N 0.19 1.04 -0.64 0.00 3.38 -0.79 -2.41 115.31 116.08 1uqr h LEU 89 Ca 0.03 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 1uqr h LEU 89 Cb 0.78 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1uqr h LEU 89 CO 0.05 0.98 -0.36 -0.07 0.09 0.00 0.00 178.44 179.14 1uqr h LEU 90 N 1.07 0.70 -1.14 1.67 3.38 -1.23 -2.69 115.31 117.06 1uqr h LEU 90 Ca 0.23 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1uqr h LEU 90 Cb 0.32 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1uqr h LEU 90 CO -0.00 0.99 -0.06 0.00 0.09 0.00 0.00 178.44 179.45 1uqr h ALA 91 N 1.05 1.29 -0.00 1.53 0.00 -0.68 -2.77 119.26 119.68 1uqr h ALA 91 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1uqr h ALA 91 Cb 0.87 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1uqr h ALA 91 CO 0.08 0.48 -0.42 1.33 0.00 0.00 0.00 179.25 180.71 1uqr n VAL 92 N -4.24 0.00 -3.73 0.00 0.24 -0.94 -4.97 118.33 104.69 1uqr n VAL 92 Ca 0.01 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 1uqr n VAL 92 Cb 0.29 0.17 0.05 0.00 -1.47 0.00 0.00 33.84 32.88 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 -1.42 -4.13 -4.38 -1.34 7.64 -1.02 -4.77 113.62 104.21 1uqr n SER 93 Ca 0.06 -0.71 -0.35 0.00 1.01 0.00 0.00 58.87 58.89 1uqr n SER 93 Cb 0.34 -4.36 -0.13 0.00 -1.01 0.00 0.00 64.21 59.04 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 -3.39 3.60 0.57 0.44 1.01 -1.24 -5.09 121.20 117.09 1uqr s ILE 94 Ca 0.43 -0.43 -0.20 0.00 0.00 0.00 0.00 60.65 60.45 1uqr s ILE 94 Cb -0.20 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1uqr s ILE 94 CO 0.79 0.44 1.25 -2.16 0.00 0.00 0.00 174.94 175.25 1uqr s PRO 95 N 1.14 3.08 0.08 2.79 0.04 -1.26 -4.79 135.00 136.07 1uqr s PRO 95 Ca 0.02 1.94 -0.10 0.00 0.04 0.00 0.00 61.00 62.90 1uqr s PRO 95 Cb -0.15 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1uqr s PRO 95 CO 0.00 -1.15 0.22 -0.59 0.04 0.00 0.00 177.00 175.51 1uqr s PHE 96 N -1.49 0.08 -0.08 0.56 -0.71 -1.26 -1.49 117.98 113.59 1uqr s PHE 96 Ca 0.75 -0.43 0.04 0.00 -1.04 0.00 0.00 56.93 56.24 1uqr s PHE 96 Cb -0.33 -0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.45 1uqr s PHE 96 CO 0.37 -0.53 -0.21 0.42 -1.34 0.00 0.00 175.22 173.94 1uqr s ILE 97 N -3.45 2.40 -0.12 -4.49 1.01 -0.65 -0.52 121.20 115.39 1uqr s ILE 97 Ca 0.02 -0.92 -0.18 0.00 0.00 0.00 0.00 60.65 59.57 1uqr s ILE 97 Cb 0.03 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1uqr s ILE 97 CO -0.09 0.56 0.46 -0.70 0.00 0.00 0.00 174.94 175.17 1uqr s GLU 98 N 0.01 4.32 -0.01 2.79 2.12 -0.58 -1.16 118.70 126.19 1uqr s GLU 98 Ca -0.07 0.42 0.06 0.00 0.36 0.00 0.00 54.97 55.73 1uqr s GLU 98 Cb -0.15 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.80 1uqr s GLU 98 CO 0.05 0.18 -0.18 0.08 -0.54 0.00 0.00 175.26 174.85 1uqr s VAL 99 N 0.55 1.43 -0.03 3.70 1.01 -0.02 -1.17 120.40 125.88 1uqr s VAL 99 Ca 0.25 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1uqr s VAL 99 Cb -0.15 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1uqr s VAL 99 CO 0.10 0.39 -0.03 -1.00 0.00 0.00 0.00 175.10 174.56 1uqr s HIS 100 N -0.45 0.48 0.06 5.22 3.76 -0.52 -4.06 115.29 119.77 1uqr s HIS 100 Ca 0.07 -0.08 -0.20 0.00 -0.15 0.00 0.00 55.06 54.70 1uqr s HIS 100 Cb -0.07 -0.45 -0.11 0.00 1.11 0.00 0.00 32.58 33.05 1uqr s HIS 100 CO -0.01 -0.12 1.45 -0.07 -0.85 0.00 0.00 174.74 175.15 1uqr h LEU 101 N 6.92 0.37-10.40 0.89 3.38 -1.87 -2.26 115.31 112.35 1uqr h LEU 101 Ca -0.38 -0.37 -0.46 0.00 0.09 0.00 0.00 57.88 56.76 1uqr h LEU 101 Cb 1.15 -0.10 0.04 0.00 0.09 0.00 0.00 40.66 41.84 1uqr h LEU 101 CO 0.48 0.66 -0.01 -0.94 0.09 0.00 0.00 178.44 178.72 1uqr s SER 102 N -5.96 5.69 -0.65 -0.43 1.04 -1.26 -1.51 113.70 110.61 1uqr s SER 102 Ca -0.14 0.38 -0.24 0.00 0.48 0.00 0.00 55.95 56.43 1uqr s SER 102 Cb 0.06 -1.50 0.05 0.00 0.10 0.00 0.00 66.02 64.74 1uqr s SER 102 CO 0.74 -0.87 1.02 0.21 0.98 0.00 0.00 173.24 175.33 1uqr s ASN 103 N -4.27 6.22 0.54 7.02 3.84 -1.26 -2.04 114.94 124.98 1uqr s ASN 103 Ca 0.51 -0.70 0.20 0.00 0.21 0.00 0.00 52.86 53.08 1uqr s ASN 103 Cb -0.10 -2.45 1.42 0.00 -0.55 0.00 0.00 41.25 39.56 1uqr s ASN 103 CO 0.40 -1.47 2.18 -0.37 -2.79 0.00 0.00 177.10 175.05 1uqr h VAL 104 N 6.00 0.87 0.00 -5.21 -1.51 -1.91 -1.76 116.25 112.73 1uqr h VAL 104 Ca -0.28 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 1uqr h VAL 104 Cb 1.07 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1uqr h VAL 104 CO 1.18 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 178.93 1uqr n HIS 105 N -4.35 0.81 0.71 5.19 8.25 -1.26 -2.63 115.22 121.94 1uqr n HIS 105 Ca -0.03 0.29 0.12 0.00 -0.26 0.00 0.00 57.72 57.84 1uqr n HIS 105 Cb 0.09 -0.97 0.26 0.00 1.12 0.00 0.00 29.99 30.49 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 -1.77 2.46 -2.34 -1.41 0.00 -0.66 -4.94 120.51 111.86 1uqr n ALA 106 Ca 0.03 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1uqr n ALA 106 Cb 0.29 -0.94 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 1.08 3.59 -1.73 0.00 1.74 -1.08 -5.08 116.66 115.19 1uqr n ARG 107 Ca 0.18 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.89 1uqr n ARG 107 Cb 0.51 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.02 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 1.17 -0.20 5.56 4.71 -1.26 -4.90 120.64 125.72 1uqr n GLU 108 Ca 0.00 0.46 0.15 0.00 -0.01 0.00 0.00 57.16 57.76 1uqr n GLU 108 Cb 0.00 -2.54 0.48 0.00 -1.01 0.00 0.00 31.44 28.37 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 0.61 0.45 0.00 3.49 0.11 -1.95 -0.77 132.00 133.94 1uqr h PRO 109 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1uqr h PRO 109 Cb 1.34 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1uqr h PRO 109 CO 0.53 0.30 0.00 0.27 -0.21 0.00 0.00 178.00 178.89 1uqr h PHE 110 N 0.47 0.00 -0.01 0.65 -5.15 -1.97 -1.32 116.94 109.61 1uqr h PHE 110 Ca 0.40 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.17 1uqr h PHE 110 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.04 1uqr h PHE 110 CO -0.00 0.00 -0.04 0.54 -2.00 0.00 0.00 178.31 176.81 1uqr n ARG 111 N -2.66 1.24 0.00 6.09 1.74 -0.30 -3.62 116.66 119.15 1uqr n ARG 111 Ca 0.00 -0.54 0.14 0.00 -0.77 0.00 0.00 57.85 56.68 1uqr n ARG 111 Cb 0.20 -1.49 0.56 0.00 -1.02 0.00 0.00 32.46 30.71 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 -0.41 0.00 -4.48 -1.55 8.25 -0.50 -4.73 115.22 111.80 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 0.28 -0.46 -0.11 0.00 1.12 0.00 0.00 29.99 30.82 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 -2.99 3.04 -0.01 4.41 5.65 -1.24 -5.05 115.29 119.10 1uqr s HIS 113 Ca 0.14 0.02 0.03 0.00 0.25 0.00 0.00 55.06 55.50 1uqr s HIS 113 Cb 0.19 -1.79 -0.01 0.00 -1.18 0.00 0.00 32.58 29.79 1uqr s HIS 113 CO 0.56 0.31 -0.10 0.45 -0.65 0.00 0.00 174.74 175.30 1uqr s SER 114 N -0.58 1.18 0.00 9.88 0.15 -1.26 -4.19 113.70 118.87 1uqr s SER 114 Ca 0.09 -0.18 0.21 0.00 0.70 0.00 0.00 55.95 56.77 1uqr s SER 114 Cb -0.12 -0.16 0.72 0.00 -1.71 0.00 0.00 66.02 64.75 1uqr s SER 114 CO 0.02 0.11 1.53 -1.22 1.20 0.00 0.00 173.24 174.89 1uqr n TYR 115 N 2.92 0.23 -0.01 3.44 4.01 0.14 -4.18 117.16 123.70 1uqr n TYR 115 Ca -0.14 -0.11 -0.01 0.00 -0.16 0.00 0.00 57.90 57.47 1uqr n TYR 115 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.58 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 0.38 1.00 -0.24 7.72 4.77 -1.26 -4.70 117.00 124.67 1uqr n LEU 116 Ca 0.16 -0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.18 1uqr n LEU 116 Cb 0.34 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.60 1uqr n LEU 116 CO 0.13 0.21 0.92 0.28 -1.33 0.00 0.00 177.39 177.60 1uqr h SER 117 N 0.00 -0.01 0.57 -1.43 0.02 -1.93 -1.76 113.55 109.01 1uqr h SER 117 Ca -0.05 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1uqr h SER 117 Cb 1.09 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1uqr h SER 117 CO -0.00 -0.03 0.00 -2.24 -1.14 0.00 0.00 176.83 173.42 1uqr h ASP 118 N 0.26 0.00 -0.09 3.07 2.03 -1.88 -2.77 116.42 117.04 1uqr h ASP 118 Ca 0.39 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.69 1uqr h ASP 118 Cb 0.64 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 1uqr h ASP 118 CO -0.49 0.00 0.00 1.33 -1.03 0.00 0.00 179.24 179.05 1uqr n VAL 119 N -2.98 0.22 -2.31 4.15 0.24 -0.73 -5.00 118.33 111.93 1uqr n VAL 119 Ca -0.01 -0.61 -0.31 0.00 -2.04 0.00 0.00 64.34 61.37 1uqr n VAL 119 Cb 0.20 1.06 -0.02 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.93 3.13 0.15 2.33 0.00 -0.77 -4.84 121.76 120.83 1uqr s ALA 120 Ca 0.15 0.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.02 1uqr s ALA 120 Cb 0.10 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 1uqr s ALA 120 CO 0.14 -0.35 1.53 -0.22 0.00 0.00 0.00 175.76 176.86 1uqr h LYS 121 N 0.55 0.97 -2.71 0.00 1.63 -1.12 -3.47 116.57 112.42 1uqr h LYS 121 Ca -0.46 -0.43 0.11 0.00 -0.85 0.00 0.00 60.65 59.02 1uqr h LYS 121 Cb 1.19 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 32.74 1uqr h LYS 121 CO 0.62 1.10 0.35 0.20 -3.45 0.00 0.00 179.45 178.27 1uqr s GLY 122 N -3.73 -0.11 -0.01 5.01 0.00 -1.25 -5.06 107.32 102.17 1uqr s GLY 122 Ca -0.11 -0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.45 1uqr s GLY 122 CO 0.87 0.03 -0.03 0.14 0.00 0.00 0.00 173.10 174.11 1uqr s VAL 123 N -3.49 0.27 -0.13 1.40 1.01 -1.26 -1.53 120.40 116.66 1uqr s VAL 123 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1uqr s VAL 123 Cb -0.04 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.11 1uqr s VAL 123 CO 0.05 0.09 -0.13 -0.63 0.00 0.00 0.00 175.10 174.49 1uqr s ILE 124 N 0.14 1.41 -0.03 2.22 1.01 -0.32 -4.98 121.20 120.66 1uqr s ILE 124 Ca -0.01 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1uqr s ILE 124 Cb -0.04 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.10 1uqr s ILE 124 CO -0.00 0.43 -0.06 0.00 0.00 0.00 0.00 174.94 175.31 1uqr n GLY 126 N 3.54 0.74 1.88 0.00 0.00 -0.85 -4.77 105.19 105.73 1uqr n GLY 126 Ca -0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.83 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 5.78 0.00 0.99 4.77 -1.21 -4.68 117.00 122.65 1uqr n LEU 127 Ca 0.00 -3.07 0.00 0.00 -0.03 0.00 0.00 56.01 52.91 1uqr n LEU 127 Cb 0.00 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1uqr n LEU 127 CO 0.00 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1uqr n GLY 128 N 0.22 0.99 0.28 -0.72 0.00 -0.57 -2.92 105.19 102.48 1uqr n GLY 128 Ca 0.33 -0.66 0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.91 1.98 -0.11 4.61 0.00 -1.94 -1.61 119.26 121.28 1uqr h ALA 129 Ca 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1uqr h ALA 129 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uqr h ALA 129 CO 0.00 -0.09 0.09 0.87 0.00 0.00 0.00 179.25 180.12 1uqr h LYS 130 N 0.00 0.00 -0.81 0.00 1.57 -1.96 -0.96 116.57 114.40 1uqr h LYS 130 Ca 0.03 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.94 1uqr h LYS 130 Cb 0.14 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.39 1uqr h LYS 130 CO -0.00 0.00 0.53 0.78 -0.57 0.00 0.00 179.45 180.19 1uqr h GLY 131 N 0.00 1.01 1.39 3.86 0.00 -1.32 0.20 103.07 108.23 1uqr h GLY 131 Ca 0.05 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 1uqr h GLY 131 CO -0.00 0.12 -0.26 -0.97 0.00 0.00 0.00 176.54 175.43 1uqr h TYR 132 N 0.64 0.79 -0.59 5.60 0.05 -1.36 -1.93 116.97 120.16 1uqr h TYR 132 Ca 0.39 -0.19 -0.02 0.00 0.05 0.00 0.00 58.73 58.97 1uqr h TYR 132 Cb 0.64 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 1uqr h TYR 132 CO -0.00 0.88 0.28 -0.44 -1.05 0.00 0.00 178.16 177.83 1uqr h ASP 133 N 0.60 0.78 -0.50 3.88 3.32 -1.02 -0.49 116.42 122.99 1uqr h ASP 133 Ca 0.08 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 1uqr h ASP 133 Cb 0.75 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1uqr h ASP 133 CO 0.06 0.70 0.04 1.88 -1.72 0.00 0.00 179.24 180.20 1uqr h TYR 134 N 0.81 0.92 -0.83 4.55 0.99 -1.26 -0.84 116.97 121.31 1uqr h TYR 134 Ca 0.20 -0.14 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 1uqr h TYR 134 Cb 0.13 -0.25 -0.04 0.00 1.00 0.00 0.00 36.73 37.57 1uqr h TYR 134 CO 0.00 0.85 0.45 0.00 -0.00 0.00 0.00 178.16 179.46 1uqr h ALA 135 N 0.95 1.23 -0.50 3.88 0.00 -1.07 -1.09 119.26 122.66 1uqr h ALA 135 Ca 0.15 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1uqr h ALA 135 Cb 0.45 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1uqr h ALA 135 CO 0.02 0.62 0.03 1.25 0.00 0.00 0.00 179.25 181.17 1uqr h LEU 136 N 1.16 0.83 -0.42 0.00 5.85 -0.76 0.02 115.31 121.99 1uqr h LEU 136 Ca 0.29 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1uqr h LEU 136 Cb 0.03 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 1uqr h LEU 136 CO -0.05 0.91 0.27 -0.78 -0.34 0.00 0.00 178.44 178.45 1uqr h ASP 137 N 0.72 0.50 -0.43 1.25 1.82 -0.64 -1.22 116.42 118.41 1uqr h ASP 137 Ca 0.14 -0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.70 1uqr h ASP 137 Cb 0.47 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.34 1uqr h ASP 137 CO 0.02 0.38 0.09 0.15 -1.61 0.00 0.00 179.24 178.28 1uqr h PHE 138 N 0.56 0.74 -0.46 0.28 3.57 -1.04 -1.96 116.94 118.63 1uqr h PHE 138 Ca 0.15 -0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.62 1uqr h PHE 138 Cb -0.03 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.45 1uqr h PHE 138 CO -0.04 0.70 0.15 0.00 -2.23 0.00 0.00 178.31 176.89 1uqr h ALA 139 N 0.96 0.55 -0.85 2.41 0.00 -0.68 -1.24 119.26 120.41 1uqr h ALA 139 Ca 0.13 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1uqr h ALA 139 Cb 0.34 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1uqr h ALA 139 CO 0.00 -0.24 0.45 0.82 0.00 0.00 0.00 179.25 180.28 1uqr h ILE 140 N 0.32 1.25 -0.71 0.00 2.04 -1.04 -0.98 117.51 118.38 1uqr h ILE 140 Ca 0.22 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 1uqr h ILE 140 Cb 0.23 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1uqr h ILE 140 CO -0.24 0.29 0.34 0.77 0.00 0.00 0.00 178.15 179.31 1uqr h SER 141 N 1.19 0.92 -0.44 1.72 4.64 -0.54 -0.82 113.55 120.22 1uqr h SER 141 Ca 0.30 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.38 1uqr h SER 141 Cb 0.05 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 1uqr h SER 141 CO -0.05 0.78 -0.24 -0.33 -0.87 0.00 0.00 176.83 176.12 1uqr h GLU 142 N 1.01 0.93 -0.23 4.77 4.39 -0.70 -2.94 114.58 121.81 1uqr h GLU 142 Ca 0.25 -0.42 -0.09 0.00 0.34 0.00 0.00 59.36 59.44 1uqr h GLU 142 Cb 0.11 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1uqr h GLU 142 CO -0.03 1.08 -0.23 -0.07 -1.16 0.00 0.00 179.01 178.60 1uqr h LEU 143 N 0.77 0.41 -0.57 1.33 3.38 -0.75 -2.14 115.31 117.73 1uqr h LEU 143 Ca 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1uqr h LEU 143 Cb 0.82 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1uqr h LEU 143 CO 0.07 0.65 0.30 1.56 0.09 0.00 0.00 178.44 181.11 1uqr h GLN 144 N 0.37 0.80 -0.64 1.13 4.20 -1.05 0.15 115.11 120.08 1uqr h GLN 144 Ca 0.06 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1uqr h GLN 144 Cb 0.61 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1uqr h GLN 144 CO 0.04 0.62 0.18 0.87 -0.67 0.00 0.00 178.83 179.88 1uqr h LYS 145 N 0.77 0.98 -0.22 1.46 1.57 -1.31 -1.80 116.57 118.02 1uqr h LYS 145 Ca 0.20 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1uqr h LYS 145 Cb 0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1uqr h LYS 145 CO -0.03 0.86 0.07 0.82 -0.57 0.00 0.00 179.45 180.59 1uqr h ILE 146 N 0.94 1.19 -0.64 1.86 2.04 -0.80 0.29 117.51 122.39 1uqr h ILE 146 Ca 0.21 -0.61 0.04 0.00 1.00 0.00 0.00 64.86 65.49 1uqr h ILE 146 Cb 0.30 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 1uqr h ILE 146 CO -0.00 0.19 0.39 1.56 0.00 0.00 0.00 178.15 180.29 1uqr h GLN 147 N 0.18 0.73 -0.27 2.37 4.20 -0.75 -1.30 115.11 120.26 1uqr h GLN 147 Ca 0.07 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.61 1uqr h GLN 147 Cb 0.24 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1uqr h GLN 147 CO -0.00 0.48 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.22 1uqr h LEU 148 N 0.75 0.63 -1.06 1.46 3.38 -1.19 -2.05 115.31 117.24 1uqr h LEU 148 Ca 0.27 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1uqr h LEU 148 Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1uqr h LEU 148 CO -0.12 0.93 -0.23 1.23 0.09 0.00 0.00 178.44 180.33 1uqr h GLY 149 N 1.02 0.42 1.70 0.83 0.00 -0.29 -2.46 103.07 104.30 1uqr h GLY 149 Ca 0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1uqr h GLY 149 CO 0.07 0.30 -0.36 1.05 0.00 0.00 0.00 176.54 177.60 1uqr h GLU 150 N 0.35 0.00 0.66 4.80 4.11 -1.17 -3.34 114.58 119.99 1uqr h GLU 150 Ca 0.06 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.45 1uqr h GLU 150 Cb 0.61 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.86 1uqr h GLU 150 CO 0.04 0.06 -0.32 1.98 0.07 0.00 0.00 179.01 180.84 1uqr h MET 151 N 0.00 -0.86 0.00 1.06 4.05 -0.87 -3.51 114.93 114.79 1uqr h MET 151 Ca -0.01 0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1uqr h MET 151 Cb 1.06 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 32.05 1uqr h MET 151 CO 0.01 -0.56 0.00 -0.12 0.23 0.00 0.00 176.91 176.47