#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dbu h PRO 3 N 0.00 0.16 0.39 1.09 0.11 -1.89 0.61 132.00 132.47 1dbu h PRO 3 Ca 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1dbu h PRO 3 Cb 0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 1dbu h PRO 3 CO 0.00 0.22 -0.39 0.00 -0.21 0.00 0.00 178.00 177.62 1dbu h ALA 4 N 1.80 -0.85 -0.64 -0.75 0.00 -1.79 -1.57 119.26 115.45 1dbu h ALA 4 Ca 0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1dbu h ALA 4 Cb 0.20 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1dbu h ALA 4 CO 0.01 -1.02 0.25 0.82 0.00 0.00 0.00 179.25 179.31 1dbu h ILE 5 N -0.80 1.23 -0.88 0.00 2.04 -1.46 -2.94 117.51 114.68 1dbu h ILE 5 Ca -0.03 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 1dbu h ILE 5 Cb 0.72 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1dbu h ILE 5 CO -0.07 0.29 0.54 0.44 0.00 0.00 0.00 178.15 179.35 1dbu h ASP 6 N 0.93 1.05 -0.34 1.72 3.32 -0.87 -2.20 116.42 120.02 1dbu h ASP 6 Ca 0.22 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1dbu h ASP 6 Cb 0.20 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1dbu h ASP 6 CO -0.02 0.80 0.06 0.25 -1.72 0.00 0.00 179.24 178.61 1dbu h LEU 7 N 1.21 0.54 -1.00 1.55 5.85 -1.12 0.03 115.31 122.37 1dbu h LEU 7 Ca 0.32 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1dbu h LEU 7 Cb -0.07 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 1dbu h LEU 7 CO -0.06 0.66 0.23 -0.07 -0.34 0.00 0.00 178.44 178.85 1dbu h LEU 8 N 0.40 0.88 -0.19 2.25 3.38 -1.30 -0.81 115.31 119.93 1dbu h LEU 8 Ca 0.11 -0.13 -0.22 0.00 0.09 0.00 0.00 57.88 57.72 1dbu h LEU 8 Cb 0.34 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1dbu h LEU 8 CO 0.01 0.80 -0.80 0.11 0.09 0.00 0.00 178.44 178.65 1dbu h LYS 9 N 0.93 0.72 -0.93 1.13 1.57 -1.24 0.25 116.57 119.00 1dbu h LYS 9 Ca 0.21 -0.61 0.08 0.00 -1.87 0.00 0.00 60.65 58.46 1dbu h LYS 9 Cb 0.22 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.60 1dbu h LYS 9 CO -0.01 1.22 0.58 -0.22 -0.57 0.00 0.00 179.45 180.44 1dbu h LYS 10 N 0.48 1.00 -0.10 3.15 3.64 -0.63 -3.01 116.57 121.11 1dbu h LYS 10 Ca -0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1dbu h LYS 10 Cb 1.42 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1dbu h LYS 10 CO 0.16 0.66 0.00 1.04 -2.27 0.00 0.00 179.45 179.04 1dbu n GLN 11 N -4.59 2.11 -3.00 1.90 6.02 -0.34 -4.95 117.38 114.53 1dbu n GLN 11 Ca 0.15 -1.63 -0.22 0.00 -0.01 0.00 0.00 57.00 55.28 1dbu n GLN 11 Cb 0.22 -1.47 0.03 0.00 1.02 0.00 0.00 30.24 30.04 1dbu n GLN 11 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1dbu n LYS 12 N 0.94 -4.70 -2.69 -1.09 4.76 -0.09 -4.96 118.16 110.32 1dbu n LYS 12 Ca 0.16 0.90 -0.42 0.00 -2.87 0.00 0.00 58.31 56.08 1dbu n LYS 12 Cb 0.50 -5.75 -0.03 0.00 -1.84 0.00 0.00 35.03 27.91 1dbu n LYS 12 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1dbu s ILE 13 N -3.17 4.81 0.21 -0.18 -1.09 -0.25 -5.02 121.20 116.51 1dbu s ILE 13 Ca 0.29 2.05 -0.32 0.00 -2.23 0.00 0.00 60.65 60.44 1dbu s ILE 13 Cb -0.13 -4.32 -0.13 0.00 -1.58 0.00 0.00 42.46 36.30 1dbu s ILE 13 CO 0.36 0.05 1.57 -2.65 -1.23 0.00 0.00 174.94 173.04 1dbu n PRO 14 N 4.65 2.30 -3.57 2.79 -0.02 -1.26 -4.77 135.00 135.13 1dbu n PRO 14 Ca 0.08 0.83 -0.10 0.00 -2.02 0.00 0.00 63.50 62.29 1dbu n PRO 14 Cb 0.49 -2.58 -0.02 0.00 -0.02 0.00 0.00 33.50 31.37 1dbu n PRO 14 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1dbu s PHE 15 N 0.60 -0.40 -0.10 6.00 -0.12 -1.26 -4.65 117.98 118.05 1dbu s PHE 15 Ca 0.74 0.13 0.04 0.00 -0.05 0.00 0.00 56.93 57.78 1dbu s PHE 15 Cb -0.62 0.60 -0.00 0.00 -0.63 0.00 0.00 43.02 42.38 1dbu s PHE 15 CO 0.41 -0.94 -0.24 0.42 -0.05 0.00 0.00 175.22 174.83 1dbu s ILE 16 N -3.73 2.02 -0.17 -4.49 1.01 -0.30 -4.98 121.20 110.56 1dbu s ILE 16 Ca 0.05 -1.00 -0.17 0.00 0.00 0.00 0.00 60.65 59.53 1dbu s ILE 16 Cb -0.02 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 1dbu s ILE 16 CO -0.06 0.55 0.45 -0.22 0.00 0.00 0.00 174.94 175.66 1dbu s LEU 17 N 0.32 4.20 -0.09 2.97 2.96 -1.26 -0.65 118.68 127.13 1dbu s LEU 17 Ca -0.18 0.66 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 1dbu s LEU 17 Cb -0.18 -2.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.87 1dbu s LEU 17 CO 0.08 -0.07 -0.10 -1.00 -1.32 0.00 0.00 176.35 173.95 1dbu s HIS 18 N 1.11 2.85 0.00 5.38 3.76 -0.38 -4.99 115.29 123.03 1dbu s HIS 18 Ca 0.23 -0.22 0.08 0.00 -0.15 0.00 0.00 55.06 54.99 1dbu s HIS 18 Cb -0.15 -1.75 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 1dbu s HIS 18 CO 0.09 0.12 -0.23 0.99 -0.85 0.00 0.00 174.74 174.86 1dbu s THR 19 N -0.37 1.85 0.07 1.30 2.01 -1.26 -1.10 115.64 118.14 1dbu s THR 19 Ca 0.05 -1.09 -0.00 0.00 0.31 0.00 0.00 61.69 60.95 1dbu s THR 19 Cb -0.12 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 1dbu s THR 19 CO 0.02 0.44 -0.03 -0.72 -0.69 0.00 0.00 174.62 173.64 1dbu s TYR 20 N -0.63 0.68 -0.62 4.92 -0.85 -0.38 -5.02 117.35 115.46 1dbu s TYR 20 Ca 0.09 -1.03 -0.25 0.00 -0.52 0.00 0.00 57.07 55.36 1dbu s TYR 20 Cb -0.09 -0.44 0.04 0.00 0.38 0.00 0.00 41.96 41.85 1dbu s TYR 20 CO 0.00 -0.32 1.06 -0.51 -1.52 0.00 0.00 175.55 174.26 1dbu s ASP 21 N -2.97 6.28 0.22 -0.18 1.01 -1.26 -4.36 116.67 115.42 1dbu s ASP 21 Ca 0.10 -0.44 -0.30 0.00 0.71 0.00 0.00 52.55 52.62 1dbu s ASP 21 Cb 0.07 -2.48 -0.09 0.00 1.01 0.00 0.00 42.92 41.44 1dbu s ASP 21 CO -0.07 -1.44 1.14 -1.38 0.21 0.00 0.00 175.17 173.63 1dbu s HIS 22 N 4.49 3.50 -0.34 4.23 -3.43 -1.26 -4.99 115.29 117.50 1dbu s HIS 22 Ca 0.31 1.56 -0.10 0.00 -0.80 0.00 0.00 55.06 56.04 1dbu s HIS 22 Cb -0.12 -3.35 0.01 0.00 -1.43 0.00 0.00 32.58 27.69 1dbu s HIS 22 CO 0.17 -0.86 0.17 -0.51 -2.00 0.00 0.00 174.74 171.71 1dbu s ASP 23 N -0.31 5.58 0.17 7.38 1.01 -1.26 -5.00 116.67 124.25 1dbu s ASP 23 Ca 0.49 -0.79 0.14 0.00 0.71 0.00 0.00 52.55 53.10 1dbu s ASP 23 Cb -0.32 -1.99 0.56 0.00 1.01 0.00 0.00 42.92 42.17 1dbu s ASP 23 CO 0.39 -0.29 0.55 -2.65 0.21 0.00 0.00 175.17 173.37 1dbu n PRO 24 N 4.97 -0.01 -2.95 8.23 -0.02 -1.26 -5.23 135.00 138.73 1dbu n PRO 24 Ca -0.13 0.42 -0.26 0.00 -2.02 0.00 0.00 63.50 61.51 1dbu n PRO 24 Cb 0.47 -0.87 -0.04 0.00 -0.02 0.00 0.00 33.50 33.04 1dbu n PRO 24 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1dbu n ASN 25 N -3.09 4.11 -4.06 2.55 3.02 -1.26 -5.26 115.26 111.28 1dbu n ASN 25 Ca 0.15 -3.62 -0.05 0.00 -0.03 0.00 0.00 54.58 51.03 1dbu n ASN 25 Cb 0.61 -0.56 -0.03 0.00 -0.61 0.00 0.00 39.78 39.19 1dbu n ASN 25 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1dbu n ASP 31 N -0.20 -1.03 -0.26 6.41 -0.08 -1.26 -5.32 116.55 114.81 1dbu n ASP 31 Ca 0.31 -1.45 0.10 0.00 -1.51 0.00 0.00 54.79 52.23 1dbu n ASP 31 Cb 0.43 -0.64 0.35 0.00 2.34 0.00 0.00 41.12 43.60 1dbu n ASP 31 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1dbu h GLU 32 N 9.06 0.73 -0.27 -0.67 4.81 -2.01 -2.33 114.58 123.91 1dbu h GLU 32 Ca 0.02 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1dbu h GLU 32 Cb 0.87 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1dbu h GLU 32 CO 0.96 0.48 -0.10 0.00 -0.73 0.00 0.00 179.01 179.63 1dbu h ALA 33 N 1.59 0.37 0.00 2.92 0.00 -2.00 0.70 119.26 122.84 1dbu h ALA 33 Ca 0.41 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1dbu h ALA 33 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1dbu h ALA 33 CO -0.17 0.21 -0.00 0.00 0.00 0.00 0.00 179.25 179.28 1dbu h ALA 34 N 0.75 -0.00 0.14 0.00 0.00 -1.78 -0.87 119.26 117.50 1dbu h ALA 34 Ca 0.06 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1dbu h ALA 34 Cb 0.59 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1dbu h ALA 34 CO 0.03 -0.49 -0.38 0.93 0.00 0.00 0.00 179.25 179.34 1dbu h GLU 35 N -0.03 -0.60 0.00 0.00 5.08 -1.32 0.81 114.58 118.52 1dbu h GLU 35 Ca -0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1dbu h GLU 35 Cb 0.03 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1dbu h GLU 35 CO 0.00 -0.40 0.00 0.87 -1.00 0.00 0.00 179.01 178.48 1dbu h LYS 36 N -0.63 0.00 -0.01 2.33 1.57 -0.82 -3.12 116.57 115.90 1dbu h LYS 36 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1dbu h LYS 36 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1dbu h LYS 36 CO -0.21 0.00 -0.65 1.28 -0.57 0.00 0.00 179.45 179.30 1dbu n LEU 37 N -2.88 1.50 -3.45 2.94 4.77 -0.34 -4.98 117.00 114.57 1dbu n LEU 37 Ca 0.04 -0.59 -0.20 0.00 -0.03 0.00 0.00 56.01 55.24 1dbu n LEU 37 Cb 0.47 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.63 1dbu n LEU 37 CO 0.32 0.30 0.17 0.61 -1.33 0.00 0.00 177.39 177.46 1dbu n GLY 38 N 1.45 -0.42 3.90 -0.72 0.00 0.19 -5.01 105.19 104.58 1dbu n GLY 38 Ca 0.07 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1dbu n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dbu s ILE 39 N -3.34 5.39 0.26 -0.61 -1.09 -0.70 -5.05 121.20 116.07 1dbu s ILE 39 Ca 0.25 -0.12 -0.30 0.00 -2.23 0.00 0.00 60.65 58.26 1dbu s ILE 39 Cb -0.11 -3.56 -0.10 0.00 -1.58 0.00 0.00 42.46 37.11 1dbu s ILE 39 CO 0.72 0.29 1.44 1.51 -1.23 0.00 0.00 174.94 177.67 1dbu s ASP 40 N -1.99 6.64 0.55 3.58 3.84 -1.26 -4.71 116.67 123.32 1dbu s ASP 40 Ca 0.29 2.69 0.24 0.00 -0.00 0.00 0.00 52.55 55.77 1dbu s ASP 40 Cb -0.13 -2.63 1.55 0.00 -1.38 0.00 0.00 42.92 40.33 1dbu s ASP 40 CO 0.20 -0.70 2.18 -0.65 -0.00 0.00 0.00 175.17 176.19 1dbu h PRO 41 N 4.88 0.00 0.00 2.11 0.11 -1.94 -1.53 132.00 135.64 1dbu h PRO 41 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1dbu h PRO 41 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1dbu h PRO 41 CO 0.77 0.04 -0.13 -0.91 -0.21 0.00 0.00 178.00 177.55 1dbu h ASN 42 N 0.00 0.00 0.13 -2.05 2.35 -1.99 -2.58 115.58 111.43 1dbu h ASN 42 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1dbu h ASN 42 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1dbu h ASN 42 CO 0.00 0.13 -0.46 0.54 -1.65 0.00 0.00 177.43 176.00 1dbu n ARG 43 N -3.48 0.82 -3.54 0.81 1.74 -0.58 -4.83 116.66 107.61 1dbu n ARG 43 Ca -0.01 -0.61 -0.40 0.00 -0.77 0.00 0.00 57.85 56.06 1dbu n ARG 43 Cb 0.29 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.14 1dbu n ARG 43 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1dbu s SER 44 N -2.59 6.06 -0.06 0.55 0.15 -0.97 -1.17 113.70 115.67 1dbu s SER 44 Ca 0.19 -0.39 0.01 0.00 0.70 0.00 0.00 55.95 56.46 1dbu s SER 44 Cb 0.18 -2.14 -0.03 0.00 -1.71 0.00 0.00 66.02 62.33 1dbu s SER 44 CO 0.60 -0.22 -0.06 -0.36 1.20 0.00 0.00 173.24 174.40 1dbu s PHE 45 N 1.73 2.96 0.27 3.44 0.40 0.13 -1.15 117.98 125.75 1dbu s PHE 45 Ca 0.06 0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.49 1dbu s PHE 45 Cb -0.17 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.63 1dbu s PHE 45 CO 0.11 0.36 0.34 -1.59 0.70 0.00 0.00 175.22 175.13 1dbu s LYS 46 N -0.93 3.18 -0.16 0.44 -2.85 0.34 -4.10 119.74 115.65 1dbu s LYS 46 Ca 0.13 -0.93 0.01 0.00 -1.00 0.00 0.00 55.97 54.18 1dbu s LYS 46 Cb -0.11 -2.76 0.01 0.00 -2.06 0.00 0.00 37.83 32.92 1dbu s LYS 46 CO 0.03 0.32 -0.20 0.99 0.10 0.00 0.00 175.35 176.58 1dbu s THR 47 N -2.09 2.15 0.00 3.79 2.01 -1.26 -1.25 115.64 118.99 1dbu s THR 47 Ca 0.37 -0.93 0.08 0.00 0.31 0.00 0.00 61.69 61.51 1dbu s THR 47 Cb -0.09 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.51 1dbu s THR 47 CO 0.28 0.54 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.75 1dbu s LEU 48 N 1.08 2.24 0.13 4.42 1.43 0.20 -4.84 118.68 123.34 1dbu s LEU 48 Ca -0.00 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1dbu s LEU 48 Cb -0.14 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1dbu s LEU 48 CO -0.07 0.30 0.08 -0.76 0.23 0.00 0.00 176.35 176.12 1dbu s LEU 49 N -0.89 3.66 0.14 1.79 1.43 -1.26 -0.87 118.68 122.68 1dbu s LEU 49 Ca 0.11 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.09 1dbu s LEU 49 Cb -0.10 -2.32 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1dbu s LEU 49 CO 0.01 0.12 -0.08 0.68 0.23 0.00 0.00 176.35 177.30 1dbu s VAL 50 N -1.58 1.02 -0.20 -1.59 -7.23 -0.28 -2.59 120.40 107.94 1dbu s VAL 50 Ca 0.29 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.37 1dbu s VAL 50 Cb -0.11 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 1dbu s VAL 50 CO 0.21 -0.75 0.03 0.00 -0.31 0.00 0.00 175.10 174.28 1dbu s ALA 51 N -3.42 3.17 0.06 1.32 0.00 0.87 -1.34 121.76 122.43 1dbu s ALA 51 Ca 0.16 -0.94 -0.31 0.00 0.00 0.00 0.00 51.96 50.88 1dbu s ALA 51 Cb 0.04 -1.88 -0.08 0.00 0.00 0.00 0.00 23.12 21.19 1dbu s ALA 51 CO -0.00 -0.11 1.63 -1.21 0.00 0.00 0.00 175.76 176.06 1dbu s GLU 52 N 0.92 4.21 -0.75 0.00 2.02 -0.06 -1.70 118.70 123.34 1dbu s GLU 52 Ca 0.02 2.29 0.00 0.00 0.02 0.00 0.00 54.97 57.31 1dbu s GLU 52 Cb -0.14 -3.60 0.00 0.00 0.10 0.00 0.00 34.13 30.49 1dbu s GLU 52 CO 0.02 -0.72 0.00 0.09 0.02 0.00 0.00 175.26 174.67 1dbu n ASN 53 N 5.59 -2.98 0.00 -0.19 3.02 0.21 -1.63 115.26 119.29 1dbu n ASN 53 Ca 0.16 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 1dbu n ASN 53 Cb 0.41 -2.60 0.00 0.00 -0.61 0.00 0.00 39.78 36.98 1dbu n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dbu n GLY 54 N -0.67 0.58 3.57 7.41 0.00 -0.69 -4.96 105.19 110.43 1dbu n GLY 54 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1dbu n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dbu s ASP 55 N -2.29 6.50 0.00 1.61 -1.08 -0.65 -4.94 116.67 115.83 1dbu s ASP 55 Ca 0.00 0.16 0.30 0.00 -0.52 0.00 0.00 52.55 52.49 1dbu s ASP 55 Cb 0.00 -2.40 1.43 0.00 -1.46 0.00 0.00 42.92 40.48 1dbu s ASP 55 CO 0.00 -0.86 2.01 0.00 0.52 0.00 0.00 175.17 176.84 1dbu n GLN 56 N 6.67 0.34 -0.45 4.34 1.13 -1.26 -1.14 117.38 127.01 1dbu n GLN 56 Ca 0.03 -0.01 0.10 0.00 -1.94 0.00 0.00 57.00 55.18 1dbu n GLN 56 Cb 0.48 -1.50 0.31 0.00 0.11 0.00 0.00 30.24 29.64 1dbu n GLN 56 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1dbu n LYS 57 N -1.32 3.21 -3.76 -1.09 0.00 -1.26 -4.70 118.16 109.24 1dbu n LYS 57 Ca 0.13 -2.68 -0.33 0.00 -0.00 0.00 0.00 58.31 55.42 1dbu n LYS 57 Cb 0.27 -1.68 -0.09 0.00 -0.00 0.00 0.00 35.03 33.52 1dbu n LYS 57 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1dbu s LYS 58 N -1.47 2.77 0.35 -1.58 1.02 -0.29 -5.09 119.74 115.45 1dbu s LYS 58 Ca 0.46 -3.10 0.00 0.00 0.02 0.00 0.00 55.97 53.35 1dbu s LYS 58 Cb 0.27 -3.69 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 1dbu s LYS 58 CO 0.26 -1.24 0.56 -0.51 -0.92 0.00 0.00 175.35 173.49 1dbu s LEU 59 N -1.05 3.99 0.04 3.17 1.43 -1.26 -0.88 118.68 124.13 1dbu s LEU 59 Ca 0.24 0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 53.77 1dbu s LEU 59 Cb -0.11 -3.31 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 1dbu s LEU 59 CO -0.11 -0.32 -0.02 0.00 0.23 0.00 0.00 176.35 176.14 1dbu s ALA 60 N -2.33 0.32 -0.09 4.21 0.00 -0.45 -4.46 121.76 118.96 1dbu s ALA 60 Ca 0.40 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.46 1dbu s ALA 60 Cb -0.10 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 1dbu s ALA 60 CO 0.36 -0.30 -0.21 0.00 0.00 0.00 0.00 175.76 175.61 1dbu s PHE 62 N 0.12 1.71 -0.19 0.00 0.40 -0.05 -1.55 117.98 118.41 1dbu s PHE 62 Ca -0.11 -0.61 -0.01 0.00 -0.60 0.00 0.00 56.93 55.60 1dbu s PHE 62 Cb -0.16 -1.20 0.00 0.00 0.51 0.00 0.00 43.02 42.18 1dbu s PHE 62 CO 0.06 -0.27 -0.12 0.08 0.70 0.00 0.00 175.22 175.67 1dbu s VAL 63 N 0.44 2.75 0.02 -0.44 1.01 -0.59 -0.63 120.40 122.95 1dbu s VAL 63 Ca -0.12 -0.71 -0.21 0.00 0.00 0.00 0.00 61.98 60.94 1dbu s VAL 63 Cb -0.15 -2.20 0.04 0.00 0.00 0.00 0.00 36.38 34.07 1dbu s VAL 63 CO 0.04 0.48 0.46 -1.48 0.00 0.00 0.00 175.10 174.61 1dbu s LEU 64 N 1.27 0.19 0.38 3.92 2.34 -0.38 -1.02 118.68 125.38 1dbu s LEU 64 Ca 0.03 0.17 -0.25 0.00 0.06 0.00 0.00 54.13 54.15 1dbu s LEU 64 Cb -0.14 1.88 -0.12 0.00 -0.56 0.00 0.00 46.19 47.25 1dbu s LEU 64 CO -0.06 -0.63 0.93 0.00 -1.06 0.00 0.00 176.35 175.53 1dbu n ALA 65 N 0.68 -0.21 0.03 1.48 0.00 -1.26 -0.51 120.51 120.73 1dbu n ALA 65 Ca -0.19 0.26 0.03 0.00 0.00 0.00 0.00 53.44 53.55 1dbu n ALA 65 Cb 0.59 -2.01 0.42 0.00 0.00 0.00 0.00 19.45 18.44 1dbu n ALA 65 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1dbu h THR 66 N 1.53 1.12 0.00 0.00 1.35 -1.33 -1.80 112.91 113.79 1dbu h THR 66 Ca -0.42 -0.34 -0.04 0.00 -0.55 0.00 0.00 66.41 65.06 1dbu h THR 66 Cb 1.35 0.69 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 1dbu h THR 66 CO 0.57 0.14 -0.40 0.00 -0.25 0.00 0.00 175.52 175.57 1dbu h ALA 67 N 1.71 0.80 -3.00 6.62 0.00 -1.84 -3.48 119.26 120.07 1dbu h ALA 67 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1dbu h ALA 67 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1dbu h ALA 67 CO -0.02 0.25 0.00 0.09 0.00 0.00 0.00 179.25 179.57 1dbu n ASN 68 N -3.06 0.00 -4.15 0.00 3.02 -0.68 -5.14 115.26 105.26 1dbu n ASN 68 Ca 0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.27 1dbu n ASN 68 Cb 0.62 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.62 1dbu n ASN 68 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1dbu s LEU 70 N 0.00 1.94 -0.50 3.41 2.96 -1.26 -4.88 118.68 120.34 1dbu s LEU 70 Ca 0.00 -0.48 -0.19 0.00 -0.22 0.00 0.00 54.13 53.23 1dbu s LEU 70 Cb 0.00 -1.23 0.06 0.00 0.50 0.00 0.00 46.19 45.52 1dbu s LEU 70 CO 0.00 0.10 0.63 0.21 -1.32 0.00 0.00 176.35 175.97 1dbu s ASN 71 N 0.55 6.23 0.48 3.68 3.84 -0.60 -4.87 114.94 124.25 1dbu s ASN 71 Ca -0.15 -0.89 0.21 0.00 0.21 0.00 0.00 52.86 52.24 1dbu s ASN 71 Cb -0.17 -2.29 1.22 0.00 -0.55 0.00 0.00 41.25 39.46 1dbu s ASN 71 CO 0.05 -0.89 2.02 -0.07 -2.79 0.00 0.00 177.10 175.42 1dbu h LEU 72 N 9.70 0.00 -0.02 3.21 3.38 -1.93 -0.67 115.31 128.98 1dbu h LEU 72 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1dbu h LEU 72 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1dbu h LEU 72 CO 0.96 0.17 0.00 0.11 0.09 0.00 0.00 178.44 179.77 1dbu h LYS 73 N 0.00 0.04 -0.72 1.13 1.57 -1.93 0.21 116.57 116.87 1dbu h LYS 73 Ca -0.00 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1dbu h LYS 73 Cb 0.36 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 1dbu h LYS 73 CO 0.02 0.26 0.45 0.87 -0.57 0.00 0.00 179.45 180.48 1dbu h LYS 74 N -0.20 0.84 -0.29 3.15 1.57 -1.82 -2.09 116.57 117.74 1dbu h LYS 74 Ca 0.01 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1dbu h LYS 74 Cb 0.24 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1dbu h LYS 74 CO 0.00 0.56 0.10 0.00 -0.57 0.00 0.00 179.45 179.54 1dbu h ALA 75 N 1.32 0.38 -0.15 3.86 0.00 -1.01 -1.33 119.26 122.33 1dbu h ALA 75 Ca 0.29 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1dbu h ALA 75 Cb 0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1dbu h ALA 75 CO -0.12 -0.00 -0.24 0.00 0.00 0.00 0.00 179.25 178.89 1dbu h ALA 76 N 0.94 -0.21 -0.34 0.00 0.00 -0.89 -2.56 119.26 116.20 1dbu h ALA 76 Ca 0.10 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1dbu h ALA 76 Cb 0.22 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1dbu h ALA 76 CO -0.01 -0.70 0.23 -0.22 0.00 0.00 0.00 179.25 178.55 1dbu h LYS 77 N -0.30 0.38 0.00 0.00 3.64 -1.14 -1.54 116.57 117.61 1dbu h LYS 77 Ca 0.11 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1dbu h LYS 77 Cb 0.46 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1dbu h LYS 77 CO -0.32 0.25 -0.05 0.66 -2.27 0.00 0.00 179.45 177.72 1dbu h SER 78 N 0.39 0.00 0.00 4.20 4.64 -0.83 -2.27 113.55 119.68 1dbu h SER 78 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1dbu h SER 78 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1dbu h SER 78 CO -0.03 0.05 0.00 2.30 -0.87 0.00 0.00 176.83 178.28 1dbu n ILE 79 N -3.25 0.95 -2.20 0.95 -5.35 -0.67 -5.00 119.36 104.79 1dbu n ILE 79 Ca -0.01 -0.96 -0.09 0.00 -0.27 0.00 0.00 62.75 61.42 1dbu n ILE 79 Cb 0.24 0.53 -0.00 0.00 -1.74 0.00 0.00 39.64 38.67 1dbu n ILE 79 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dbu n GLY 80 N -0.47 0.02 3.49 3.28 0.00 -0.68 -5.04 105.19 105.78 1dbu n GLY 80 Ca 0.00 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 1dbu n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dbu s VAL 81 N -2.46 2.56 0.02 1.61 1.01 -0.89 -5.03 120.40 117.21 1dbu s VAL 81 Ca 0.01 -2.37 -0.25 0.00 0.00 0.00 0.00 61.98 59.37 1dbu s VAL 81 Cb -0.00 -2.35 -0.17 0.00 0.00 0.00 0.00 36.38 33.85 1dbu s VAL 81 CO 0.01 -0.40 1.36 0.50 0.00 0.00 0.00 175.10 176.58 1dbu h LYS 82 N 2.23 -0.23 -4.28 2.72 3.64 -1.96 -3.37 116.57 115.32 1dbu h LYS 82 Ca -0.40 0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 58.82 1dbu h LYS 82 Cb 1.26 0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 32.99 1dbu h LYS 82 CO 0.60 0.07 -0.49 0.15 -2.27 0.00 0.00 179.45 177.51 1dbu s LYS 83 N -4.91 1.19 0.04 1.90 1.02 -1.26 -4.88 119.74 112.83 1dbu s LYS 83 Ca -0.15 -1.45 0.03 0.00 0.02 0.00 0.00 55.97 54.43 1dbu s LYS 83 Cb 0.03 0.31 -0.02 0.00 -0.52 0.00 0.00 37.83 37.63 1dbu s LYS 83 CO 0.61 -0.41 -0.09 0.08 -0.92 0.00 0.00 175.35 174.61 1dbu s VAL 84 N -4.08 0.71 0.00 3.17 1.01 -1.26 0.68 120.40 120.63 1dbu s VAL 84 Ca 0.29 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1dbu s VAL 84 Cb 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1dbu s VAL 84 CO 0.07 -0.20 0.00 -0.62 0.00 0.00 0.00 175.10 174.36 1dbu n GLU 85 N 1.79 0.00 -5.04 2.72 1.02 -0.77 -4.87 120.64 115.48 1dbu n GLU 85 Ca -0.20 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.62 1dbu n GLU 85 Cb 0.55 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.82 1dbu n GLU 85 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dbu s ALA 87 N -2.00 2.43 0.00 0.62 0.00 -1.07 -0.09 121.76 121.65 1dbu s ALA 87 Ca 0.00 -0.99 -0.39 0.00 0.00 0.00 0.00 51.96 50.58 1dbu s ALA 87 Cb 0.00 -0.88 -0.18 0.00 0.00 0.00 0.00 23.12 22.06 1dbu s ALA 87 CO 0.00 0.43 1.26 -3.47 0.00 0.00 0.00 175.76 173.98 1dbu n ASP 88 N 2.85 0.98 -0.31 0.00 -0.08 -1.26 -4.79 116.55 113.94 1dbu n ASP 88 Ca -0.17 1.14 0.10 0.00 -1.51 0.00 0.00 54.79 54.34 1dbu n ASP 88 Cb 0.52 -1.06 0.22 0.00 2.34 0.00 0.00 41.12 43.14 1dbu n ASP 88 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1dbu h LYS 89 N 4.08 0.05 -0.14 -0.67 3.64 -2.00 -1.75 116.57 119.78 1dbu h LYS 89 Ca -0.49 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 1dbu h LYS 89 Cb 1.38 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1dbu h LYS 89 CO 0.74 0.03 -0.08 0.22 -2.27 0.00 0.00 179.45 178.09 1dbu h ASP 90 N 0.05 0.31 -0.46 4.20 1.82 -2.00 -2.69 116.42 117.64 1dbu h ASP 90 Ca 0.52 -0.43 0.04 0.00 -0.39 0.00 0.00 57.03 56.77 1dbu h ASP 90 Cb 0.98 -0.09 -0.04 0.00 0.68 0.00 0.00 39.33 40.87 1dbu h ASP 90 CO -0.84 0.67 0.22 0.00 -1.61 0.00 0.00 179.24 177.68 1dbu h ALA 91 N 0.65 0.58 -0.39 -0.78 0.00 -1.77 -1.92 119.26 115.63 1dbu h ALA 91 Ca 0.03 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1dbu h ALA 91 Cb 0.56 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1dbu h ALA 91 CO 0.02 -0.14 0.07 0.00 0.00 0.00 0.00 179.25 179.21 1dbu h ALA 92 N 1.26 0.42 -0.53 0.00 0.00 -1.32 -0.77 119.26 118.32 1dbu h ALA 92 Ca 0.20 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1dbu h ALA 92 Cb 0.13 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1dbu h ALA 92 CO -0.15 -0.33 0.32 0.37 0.00 0.00 0.00 179.25 179.45 1dbu h GLN 93 N 0.19 0.71 -0.08 0.00 4.15 -1.22 0.10 115.11 118.97 1dbu h GLN 93 Ca 0.19 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.39 1dbu h GLN 93 Cb 0.23 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1dbu h GLN 93 CO -0.26 0.52 -0.63 0.87 -1.93 0.00 0.00 178.83 177.40 1dbu h LYS 94 N 0.71 0.29 -0.10 1.69 1.79 -1.20 0.50 116.57 120.26 1dbu h LYS 94 Ca 0.19 -0.21 -0.07 0.00 -2.18 0.00 0.00 60.65 58.38 1dbu h LYS 94 Cb -0.01 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1dbu h LYS 94 CO -0.04 0.82 -0.21 1.03 -1.08 0.00 0.00 179.45 179.98 1dbu h SER 95 N 0.21 0.35 0.58 0.86 0.87 -0.97 -3.33 113.55 112.12 1dbu h SER 95 Ca -0.01 -0.57 -0.28 0.00 -1.23 0.00 0.00 61.79 59.70 1dbu h SER 95 Cb 1.15 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 1dbu h SER 95 CO 0.10 0.85 -1.32 0.71 -0.53 0.00 0.00 176.83 176.64 1dbu h THR 96 N -0.13 1.40 0.00 2.23 1.35 -0.79 -1.30 112.91 115.67 1dbu h THR 96 Ca 0.00 -2.99 0.00 0.00 -0.55 0.00 0.00 66.41 62.87 1dbu h THR 96 Cb 0.80 2.90 0.00 0.00 -1.73 0.00 0.00 68.15 70.12 1dbu h THR 96 CO 0.05 0.87 0.00 0.61 -0.25 0.00 0.00 175.52 176.80 1dbu n GLY 97 N 1.57 0.85 3.58 5.82 0.00 0.18 -2.42 105.19 114.77 1dbu n GLY 97 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 1dbu n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dbu s TYR 98 N -3.33 2.52 0.16 1.61 4.12 -1.24 -5.04 117.35 116.15 1dbu s TYR 98 Ca 0.00 -0.31 -0.09 0.00 0.02 0.00 0.00 57.07 56.69 1dbu s TYR 98 Cb 0.00 -1.20 -0.06 0.00 -1.52 0.00 0.00 41.96 39.18 1dbu s TYR 98 CO 0.00 0.62 0.47 -0.51 0.02 0.00 0.00 175.55 176.15 1dbu s LEU 99 N -3.63 4.26 0.23 -1.29 1.43 -1.26 -4.41 118.68 114.00 1dbu s LEU 99 Ca 0.32 0.82 -0.30 0.00 -1.03 0.00 0.00 54.13 53.93 1dbu s LEU 99 Cb -0.04 -3.36 -0.15 0.00 0.03 0.00 0.00 46.19 42.67 1dbu s LEU 99 CO 0.18 0.04 1.07 0.52 0.23 0.00 0.00 176.35 178.39 1dbu n VAL 100 N 0.29 1.44 -0.78 -1.59 0.31 -1.26 0.67 118.33 117.40 1dbu n VAL 100 Ca -0.03 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1dbu n VAL 100 Cb 0.52 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 1dbu n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1dbu n GLY 101 N 1.67 1.22 1.22 2.92 0.00 -1.26 -4.79 105.19 106.17 1dbu n GLY 101 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 1dbu n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dbu n GLY 102 N -2.00 0.85 3.60 -0.02 0.00 0.21 -4.27 105.19 103.56 1dbu n GLY 102 Ca 0.00 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1dbu n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dbu s ILE 103 N 0.00 4.42 0.27 -0.61 1.01 -1.14 -3.77 121.20 121.39 1dbu s ILE 103 Ca 0.23 1.22 -0.19 0.00 0.00 0.00 0.00 60.65 61.91 1dbu s ILE 103 Cb 0.26 -4.46 -0.09 0.00 0.01 0.00 0.00 42.46 38.18 1dbu s ILE 103 CO -0.11 -0.74 0.76 -0.55 0.00 0.00 0.00 174.94 174.29 1dbu s SER 104 N 2.10 6.99 0.44 3.58 0.15 -1.26 -4.36 113.70 121.33 1dbu s SER 104 Ca 0.42 1.42 0.30 0.00 0.70 0.00 0.00 55.95 58.80 1dbu s SER 104 Cb -0.10 -2.42 1.32 0.00 -1.71 0.00 0.00 66.02 63.11 1dbu s SER 104 CO 0.24 -0.07 1.90 1.55 1.20 0.00 0.00 173.24 178.06 1dbu h PRO 105 N 2.95 0.00 -5.83 5.44 0.13 -1.96 -3.43 132.00 129.30 1dbu h PRO 105 Ca -0.48 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.99 1dbu h PRO 105 Cb 1.19 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 1dbu h PRO 105 CO 0.65 0.00 -0.53 -0.51 -0.23 0.00 0.00 178.00 177.38 1dbu s LEU 106 N -5.45 4.10 0.00 1.56 2.01 -1.26 -4.51 118.68 115.14 1dbu s LEU 106 Ca 0.01 0.30 0.00 0.00 0.01 0.00 0.00 54.13 54.45 1dbu s LEU 106 Cb 0.09 -2.18 0.00 0.00 0.01 0.00 0.00 46.19 44.12 1dbu s LEU 106 CO 0.45 0.34 0.00 0.61 1.01 0.00 0.00 176.35 178.76 1dbu n GLY 107 N 1.61 0.41 3.77 -3.19 0.00 -1.26 -3.58 105.19 102.94 1dbu n GLY 107 Ca -0.16 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 1dbu n GLY 107 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dbu s GLN 108 N -1.83 3.62 0.08 1.61 -0.21 -1.26 -4.52 119.66 117.14 1dbu s GLN 108 Ca 0.00 1.89 -0.24 0.00 0.02 0.00 0.00 55.36 57.02 1dbu s GLN 108 Cb 0.00 -2.38 -0.16 0.00 1.00 0.00 0.00 33.01 31.47 1dbu s GLN 108 CO 0.00 -0.70 1.67 0.87 -2.12 0.00 0.00 175.29 175.01 1dbu h LYS 109 N 1.92 -0.10 -5.33 2.91 1.57 -1.42 -3.42 116.57 112.70 1dbu h LYS 109 Ca -0.50 0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 57.69 1dbu h LYS 109 Cb 1.26 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 33.48 1dbu h LYS 109 CO 0.60 -0.02 -0.40 0.15 -0.57 0.00 0.00 179.45 179.20 1dbu s LYS 110 N -5.96 4.19 -0.06 3.15 1.02 -0.50 -5.06 119.74 116.53 1dbu s LYS 110 Ca -0.14 -0.07 -0.30 0.00 0.02 0.00 0.00 55.97 55.48 1dbu s LYS 110 Cb 0.05 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 1dbu s LYS 110 CO 0.65 0.20 1.42 0.50 -0.92 0.00 0.00 175.35 177.20 1dbu s ARG 111 N 0.63 4.25 0.29 1.68 3.52 -1.26 -4.89 118.95 123.17 1dbu s ARG 111 Ca 0.12 1.93 0.02 0.00 -0.13 0.00 0.00 55.73 57.67 1dbu s ARG 111 Cb -0.13 -3.73 -0.05 0.00 -1.56 0.00 0.00 34.95 29.48 1dbu s ARG 111 CO 0.02 -0.67 0.09 0.14 -0.81 0.00 0.00 175.30 174.07 1dbu s VAL 112 N 3.10 0.78 0.43 7.11 -7.23 -1.26 -5.10 120.40 118.23 1dbu s VAL 112 Ca 0.63 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.56 1dbu s VAL 112 Cb -0.29 -2.68 -0.08 0.00 0.56 0.00 0.00 36.38 33.89 1dbu s VAL 112 CO 0.24 0.00 1.19 -1.59 -0.31 0.00 0.00 175.10 174.63 1dbu s LYS 113 N -3.97 3.87 -0.05 4.82 -2.85 -1.26 -4.83 119.74 115.48 1dbu s LYS 113 Ca 0.37 1.87 0.02 0.00 -1.00 0.00 0.00 55.97 57.23 1dbu s LYS 113 Cb 0.08 -2.55 0.01 0.00 -2.06 0.00 0.00 37.83 33.31 1dbu s LYS 113 CO 0.15 -0.48 -0.10 0.99 0.10 0.00 0.00 175.35 176.01 1dbu s THR 114 N -1.44 0.91 -0.05 3.79 2.01 -1.26 -0.46 115.64 119.13 1dbu s THR 114 Ca 0.60 -0.36 0.04 0.00 0.31 0.00 0.00 61.69 62.28 1dbu s THR 114 Cb -0.31 -0.84 0.00 0.00 0.01 0.00 0.00 72.50 71.36 1dbu s THR 114 CO 0.39 0.30 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.76 1dbu s VAL 115 N 0.61 1.40 -0.03 3.82 1.01 -0.60 -2.83 120.40 123.78 1dbu s VAL 115 Ca -0.11 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1dbu s VAL 115 Cb -0.14 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1dbu s VAL 115 CO 0.02 0.41 -0.03 -0.63 0.00 0.00 0.00 175.10 174.87 1dbu s ILE 116 N 0.22 3.98 0.38 2.22 1.01 0.33 -1.55 121.20 127.79 1dbu s ILE 116 Ca -0.08 -0.54 -0.26 0.00 0.00 0.00 0.00 60.65 59.77 1dbu s ILE 116 Cb -0.13 -2.71 -0.09 0.00 0.01 0.00 0.00 42.46 39.54 1dbu s ILE 116 CO 0.03 0.48 1.19 0.21 0.00 0.00 0.00 174.94 176.84 1dbu s ASN 117 N -1.22 6.64 0.38 3.58 3.04 -0.19 -2.21 114.94 124.96 1dbu s ASN 117 Ca 0.16 2.40 0.06 0.00 0.04 0.00 0.00 52.86 55.53 1dbu s ASN 117 Cb -0.11 -2.62 0.79 0.00 -1.54 0.00 0.00 41.25 37.76 1dbu s ASN 117 CO 0.06 -0.60 2.00 0.28 -3.04 0.00 0.00 177.10 175.80 1dbu h SER 118 N 2.89 0.59 -0.14 -4.21 0.02 -1.80 -2.08 113.55 108.82 1dbu h SER 118 Ca -0.49 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.50 1dbu h SER 118 Cb 1.23 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 1dbu h SER 118 CO 0.63 0.40 0.29 0.71 -1.14 0.00 0.00 176.83 177.73 1dbu h THR 119 N 0.68 0.19 -0.92 -2.27 1.35 -1.89 -1.56 112.91 108.49 1dbu h THR 119 Ca 0.25 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 66.29 1dbu h THR 119 Cb 0.13 0.74 -0.08 0.00 -1.73 0.00 0.00 68.15 67.21 1dbu h THR 119 CO -0.07 0.00 0.59 0.00 -0.25 0.00 0.00 175.52 175.80 1dbu h ALA 120 N 1.54 2.00 0.00 6.62 0.00 -1.72 -1.17 119.26 126.53 1dbu h ALA 120 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1dbu h ALA 120 Cb 0.65 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1dbu h ALA 120 CO -0.00 -0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.24 1dbu n LEU 121 N -4.57 0.00 -0.55 0.00 4.32 -0.59 -1.98 117.00 113.63 1dbu n LEU 121 Ca 0.20 0.28 0.12 0.00 -0.02 0.00 0.00 56.01 56.59 1dbu n LEU 121 Cb 0.61 -0.28 0.44 0.00 -1.62 0.00 0.00 43.42 42.56 1dbu n LEU 121 CO 0.28 -0.17 0.81 -1.84 -1.22 0.00 0.00 177.39 175.26 1dbu n GLU 122 N -1.28 1.74 -4.25 3.23 0.28 -0.44 -4.85 120.64 115.07 1dbu n GLU 122 Ca 0.06 -1.10 -0.27 0.00 -0.16 0.00 0.00 57.16 55.69 1dbu n GLU 122 Cb 0.10 -1.44 -0.08 0.00 1.43 0.00 0.00 31.44 31.44 1dbu n GLU 122 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1dbu s PHE 123 N -1.89 2.75 0.13 -1.84 0.40 -0.84 -5.01 117.98 111.67 1dbu s PHE 123 Ca 0.35 -0.18 -0.13 0.00 -0.60 0.00 0.00 56.93 56.38 1dbu s PHE 123 Cb 0.19 -1.33 -0.04 0.00 0.51 0.00 0.00 43.02 42.35 1dbu s PHE 123 CO 0.30 0.52 1.50 0.93 0.70 0.00 0.00 175.22 179.17 1dbu h GLU 124 N 2.78 0.82 -4.77 0.44 4.39 -1.88 -3.44 114.58 112.91 1dbu h GLU 124 Ca -0.47 -0.37 -0.27 0.00 0.34 0.00 0.00 59.36 58.60 1dbu h GLU 124 Cb 1.20 -0.02 -0.16 0.00 -0.10 0.00 0.00 28.75 29.67 1dbu h GLU 124 CO 0.56 1.00 -0.71 0.95 -1.16 0.00 0.00 179.01 179.65 1dbu s THR 125 N -4.60 0.80 0.29 1.13 -4.23 -1.26 -4.21 115.64 103.57 1dbu s THR 125 Ca -0.12 -1.79 0.04 0.00 -1.18 0.00 0.00 61.69 58.64 1dbu s THR 125 Cb 0.10 -1.51 -0.06 0.00 1.34 0.00 0.00 72.50 72.38 1dbu s THR 125 CO 0.84 -0.73 0.04 0.27 -0.54 0.00 0.00 174.62 174.51 1dbu s ILE 126 N -3.05 1.10 -0.11 2.99 -4.36 0.74 -4.91 121.20 113.60 1dbu s ILE 126 Ca 0.09 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.47 1dbu s ILE 126 Cb 0.01 -2.67 -0.01 0.00 1.25 0.00 0.00 42.46 41.04 1dbu s ILE 126 CO -0.02 -0.08 -0.15 -0.31 0.24 0.00 0.00 174.94 174.61 1dbu s TYR 127 N -3.37 2.74 0.27 1.37 1.51 -0.31 -1.08 117.35 118.49 1dbu s TYR 127 Ca 0.35 -0.61 0.05 0.00 -1.01 0.00 0.00 57.07 55.85 1dbu s TYR 127 Cb 0.08 -1.78 -0.06 0.00 -0.11 0.00 0.00 41.96 40.09 1dbu s TYR 127 CO 0.14 -0.17 -0.01 0.14 -1.11 0.00 0.00 175.55 174.54 1dbu s VAL 128 N 0.14 1.34 0.36 0.71 -7.23 -0.08 -0.69 120.40 114.94 1dbu s VAL 128 Ca -0.08 -2.06 -0.28 0.00 -1.81 0.00 0.00 61.98 57.74 1dbu s VAL 128 Cb -0.15 -2.50 -0.11 0.00 0.56 0.00 0.00 36.38 34.18 1dbu s VAL 128 CO 0.05 -0.24 1.49 -0.24 -0.31 0.00 0.00 175.10 175.85 1dbu n SER 129 N -0.56 3.69 -0.27 4.85 2.88 -1.26 -0.62 113.62 122.33 1dbu n SER 129 Ca -0.05 1.21 0.05 0.00 -1.33 0.00 0.00 58.87 58.75 1dbu n SER 129 Cb 0.64 -1.60 0.19 0.00 -0.75 0.00 0.00 64.21 62.69 1dbu n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1dbu n GLY 130 N 0.83 -0.33 0.57 0.46 0.00 0.04 -4.42 105.19 102.35 1dbu n GLY 130 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1dbu n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dbu n GLY 131 N 0.80 0.85 3.63 -0.02 0.00 -1.25 -4.56 105.19 104.64 1dbu n GLY 131 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1dbu n GLY 131 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dbu s LYS 132 N -0.72 0.76 0.18 1.61 -2.85 -1.25 -4.84 119.74 112.63 1dbu s LYS 132 Ca 0.00 0.90 -0.33 0.00 -1.00 0.00 0.00 55.97 55.54 1dbu s LYS 132 Cb 0.00 0.37 -0.15 0.00 -2.06 0.00 0.00 37.83 35.99 1dbu s LYS 132 CO 0.00 -0.09 1.30 0.54 0.10 0.00 0.00 175.35 177.20 1dbu n ARG 133 N 2.56 1.52 -0.21 1.78 1.74 -1.26 -1.70 116.66 121.09 1dbu n ARG 133 Ca -0.14 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 1dbu n ARG 133 Cb 0.55 -2.13 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 1dbu n ARG 133 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dbu n GLY 134 N 2.25 0.66 3.19 -0.13 0.00 -1.26 -4.74 105.19 105.16 1dbu n GLY 134 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1dbu n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dbu s LEU 135 N 0.00 1.98 -0.04 0.99 1.43 -0.69 -1.24 118.68 121.11 1dbu s LEU 135 Ca 0.00 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1dbu s LEU 135 Cb 0.00 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1dbu s LEU 135 CO 0.00 0.17 -0.11 -0.44 0.23 0.00 0.00 176.35 176.21 1dbu s SER 136 N 0.10 1.44 -0.21 2.29 0.01 -0.26 -0.78 113.70 116.29 1dbu s SER 136 Ca -0.08 -0.23 -0.17 0.00 1.31 0.00 0.00 55.95 56.78 1dbu s SER 136 Cb -0.14 -0.45 -0.04 0.00 0.21 0.00 0.00 66.02 65.60 1dbu s SER 136 CO 0.04 0.07 0.43 -0.69 0.41 0.00 0.00 173.24 173.51 1dbu s VAL 137 N 0.28 5.16 -0.12 3.43 1.01 0.21 -1.25 120.40 129.13 1dbu s VAL 137 Ca -0.05 0.76 -0.16 0.00 0.00 0.00 0.00 61.98 62.52 1dbu s VAL 137 Cb -0.11 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1dbu s VAL 137 CO 0.01 0.21 0.41 -0.70 0.00 0.00 0.00 175.10 175.03 1dbu s GLU 138 N 1.54 4.28 -0.13 2.72 2.12 0.17 -0.90 118.70 128.50 1dbu s GLU 138 Ca 0.20 0.33 -0.19 0.00 0.36 0.00 0.00 54.97 55.67 1dbu s GLU 138 Cb -0.15 -3.41 0.05 0.00 0.26 0.00 0.00 34.13 30.87 1dbu s GLU 138 CO 0.09 0.23 0.48 -1.50 -0.54 0.00 0.00 175.26 174.02 1dbu s ILE 139 N 0.42 0.01 0.25 -3.70 2.07 -0.24 -1.15 121.20 118.87 1dbu s ILE 139 Ca 0.23 -0.11 -0.31 0.00 -1.41 0.00 0.00 60.65 59.05 1dbu s ILE 139 Cb -0.15 -0.72 -0.11 0.00 0.13 0.00 0.00 42.46 41.61 1dbu s ILE 139 CO 0.08 -0.06 1.61 0.00 -1.91 0.00 0.00 174.94 174.67 1dbu s ALA 140 N -0.32 3.79 0.33 1.50 0.00 -1.26 -0.19 121.76 125.62 1dbu s ALA 140 Ca -0.05 1.54 0.01 0.00 0.00 0.00 0.00 51.96 53.46 1dbu s ALA 140 Cb -0.03 -3.65 0.57 0.00 0.00 0.00 0.00 23.12 20.00 1dbu s ALA 140 CO 0.03 -0.93 1.99 -1.00 0.00 0.00 0.00 175.76 175.85 1dbu h PRO 141 N 5.58 0.90 0.00 0.00 0.13 -1.84 -0.97 132.00 135.80 1dbu h PRO 141 Ca -0.45 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 64.51 1dbu h PRO 141 Cb 1.21 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 1dbu h PRO 141 CO 0.85 0.61 -0.50 1.96 -0.23 0.00 0.00 178.00 180.69 1dbu h GLN 142 N 0.93 0.00 -0.24 0.86 1.08 -1.91 -0.79 115.11 115.03 1dbu h GLN 142 Ca 0.25 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.27 1dbu h GLN 142 Cb -0.08 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1dbu h GLN 142 CO -0.05 0.50 -0.57 -0.44 -0.95 0.00 0.00 178.83 177.32 1dbu h ASP 143 N 0.00 0.86 -0.15 1.46 3.32 -1.68 -1.49 116.42 118.73 1dbu h ASP 143 Ca -0.01 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1dbu h ASP 143 Cb 0.93 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1dbu h ASP 143 CO 0.07 1.25 0.10 0.25 -1.72 0.00 0.00 179.24 179.18 1dbu h LEU 144 N 0.58 0.18 -1.25 1.55 5.85 -0.87 -2.03 115.31 119.33 1dbu h LEU 144 Ca 0.01 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1dbu h LEU 144 Cb 1.17 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.11 1dbu h LEU 144 CO 0.12 0.16 0.52 0.00 -0.34 0.00 0.00 178.44 178.90 1dbu h ALA 145 N 1.03 1.50 -0.39 1.25 0.00 -1.06 -2.36 119.26 119.23 1dbu h ALA 145 Ca 0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1dbu h ALA 145 Cb 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1dbu h ALA 145 CO -0.01 0.44 -0.18 -0.22 0.00 0.00 0.00 179.25 179.29 1dbu h LYS 146 N 1.00 0.81 -0.91 0.00 3.64 -0.85 0.26 116.57 120.51 1dbu h LYS 146 Ca 0.30 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1dbu h LYS 146 Cb -0.02 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1dbu h LYS 146 CO -0.08 0.97 0.53 0.28 -2.27 0.00 0.00 179.45 178.88 1dbu h VAL 147 N 0.61 1.26 -0.02 2.00 2.07 -1.17 -3.07 116.25 117.92 1dbu h VAL 147 Ca 0.09 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1dbu h VAL 147 Cb 0.72 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1dbu h VAL 147 CO 0.05 0.28 -0.06 0.18 0.02 0.00 0.00 177.57 178.04 1dbu n LEU 148 N -4.36 2.35 -3.70 2.57 4.77 -0.91 -4.95 117.00 112.78 1dbu n LEU 148 Ca 0.10 -0.79 -0.25 0.00 -0.03 0.00 0.00 56.01 55.04 1dbu n LEU 148 Cb 0.08 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1dbu n LEU 148 CO 0.38 0.40 0.18 0.61 -1.33 0.00 0.00 177.39 177.62 1dbu n GLY 149 N 1.30 -0.50 3.91 -0.72 0.00 0.73 -4.71 105.19 105.19 1dbu n GLY 149 Ca 0.15 0.22 -0.28 0.00 0.00 0.00 0.00 46.02 46.11 1dbu n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dbu s ALA 150 N -3.34 3.60 0.12 4.61 0.00 -0.16 -4.75 121.76 121.85 1dbu s ALA 150 Ca 0.54 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1dbu s ALA 150 Cb -0.25 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 1dbu s ALA 150 CO 0.77 0.16 0.19 -1.21 0.00 0.00 0.00 175.76 175.67 1dbu s GLU 151 N -3.73 3.19 -0.27 0.00 2.02 -1.13 -4.81 118.70 113.98 1dbu s GLU 151 Ca 0.44 -0.65 -0.08 0.00 0.02 0.00 0.00 54.97 54.70 1dbu s GLU 151 Cb -0.10 -2.85 -0.03 0.00 0.10 0.00 0.00 34.13 31.24 1dbu s GLU 151 CO 0.32 0.54 0.11 -0.06 0.02 0.00 0.00 175.26 176.18 1dbu s PHE 152 N -1.62 3.13 0.04 1.61 0.40 -1.26 -0.51 117.98 119.77 1dbu s PHE 152 Ca 0.33 -0.35 -0.09 0.00 -0.60 0.00 0.00 56.93 56.21 1dbu s PHE 152 Cb -0.11 -2.28 0.00 0.00 0.51 0.00 0.00 43.02 41.13 1dbu s PHE 152 CO 0.26 -0.34 0.19 0.99 0.70 0.00 0.00 175.22 177.02 1dbu s THR 153 N 1.64 0.11 -0.29 0.64 2.01 -0.94 -4.83 115.64 113.98 1dbu s THR 153 Ca 0.06 -0.92 -0.29 0.00 0.31 0.00 0.00 61.69 60.85 1dbu s THR 153 Cb -0.16 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.41 1dbu s THR 153 CO 0.05 -0.51 1.48 -0.62 -0.69 0.00 0.00 174.62 174.34 1dbu s ASP 154 N -2.14 6.45 -0.02 3.53 2.15 -1.26 -2.42 116.67 122.97 1dbu s ASP 154 Ca -0.04 1.32 0.02 0.00 0.43 0.00 0.00 52.55 54.28 1dbu s ASP 154 Cb -0.01 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 40.11 1dbu s ASP 154 CO -0.04 -1.25 0.85 2.30 -0.17 0.00 0.00 175.17 176.86 1dbu n ILE 155 N 6.50 0.67 -4.22 4.11 -5.35 -1.26 -4.76 119.36 115.05 1dbu n ILE 155 Ca 0.17 -0.72 -0.25 0.00 -0.27 0.00 0.00 62.75 61.68 1dbu n ILE 155 Cb 0.46 0.58 -0.08 0.00 -1.74 0.00 0.00 39.64 38.86 1dbu n ILE 155 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1dbu s VAL 156 N -0.80 2.39 0.00 7.28 -7.23 -1.26 -1.55 120.40 119.23 1dbu s VAL 156 Ca 0.04 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1dbu s VAL 156 Cb 0.04 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 34.02 1dbu s VAL 156 CO 0.00 -0.05 0.00 0.47 -0.31 0.00 0.00 175.10 175.21 1dbu n ASP 157 N -1.15 0.00 0.00 4.85 8.00 -1.26 -4.73 116.55 122.26 1dbu n ASP 157 Ca -0.02 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.84 1dbu n ASP 157 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1dbu n ASP 157 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02