#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dbx h PRO 3 N 0.00 0.02 -0.11 -2.82 0.11 -1.88 0.10 132.00 127.42 1dbx h PRO 3 Ca 0.00 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1dbx h PRO 3 Cb 0.00 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 1dbx h PRO 3 CO 0.00 0.01 -0.08 0.00 -0.21 0.00 0.00 178.00 177.72 1dbx h ALA 4 N 1.85 0.16 -0.28 -0.75 0.00 -1.80 -2.07 119.26 116.37 1dbx h ALA 4 Ca 0.14 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1dbx h ALA 4 Cb 0.54 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1dbx h ALA 4 CO -0.00 -0.03 -0.05 0.82 0.00 0.00 0.00 179.25 179.98 1dbx h ILE 5 N -0.14 1.28 -0.67 0.00 2.04 -1.60 -2.37 117.51 116.05 1dbx h ILE 5 Ca 0.02 -1.06 0.10 0.00 1.00 0.00 0.00 64.86 64.92 1dbx h ILE 5 Cb 0.57 1.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.97 1dbx h ILE 5 CO 0.02 0.34 0.29 0.44 0.00 0.00 0.00 178.15 179.24 1dbx h ASP 6 N 0.30 0.33 -0.14 1.72 3.32 -0.83 -1.37 116.42 119.76 1dbx h ASP 6 Ca 0.07 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.23 1dbx h ASP 6 Cb 0.52 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 1dbx h ASP 6 CO 0.02 0.19 -0.09 0.25 -1.72 0.00 0.00 179.24 177.89 1dbx h LEU 7 N 0.50 -0.30 -0.93 1.55 5.85 -1.23 0.19 115.31 120.94 1dbx h LEU 7 Ca 0.34 0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.15 1dbx h LEU 7 Cb 0.41 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1dbx h LEU 7 CO -0.30 -0.13 0.61 -0.07 -0.34 0.00 0.00 178.44 178.21 1dbx h LEU 8 N -0.10 1.03 -0.60 2.25 3.38 -0.85 -0.61 115.31 119.81 1dbx h LEU 8 Ca 0.08 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1dbx h LEU 8 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1dbx h LEU 8 CO -0.20 0.73 -0.26 0.11 0.09 0.00 0.00 178.44 178.91 1dbx h LYS 9 N 1.21 0.83 -0.61 1.13 1.57 -0.98 0.12 116.57 119.84 1dbx h LYS 9 Ca 0.36 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1dbx h LYS 9 Cb -0.06 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1dbx h LYS 9 CO -0.10 0.99 0.22 -0.22 -0.57 0.00 0.00 179.45 179.77 1dbx h LYS 10 N 0.72 0.90 -0.01 3.15 3.64 -0.10 -2.95 116.57 121.92 1dbx h LYS 10 Ca 0.09 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1dbx h LYS 10 Cb 0.79 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1dbx h LYS 10 CO 0.07 0.76 -0.31 1.04 -2.27 0.00 0.00 179.45 178.73 1dbx n GLN 11 N -4.30 0.87 -3.03 1.90 6.02 -0.28 -4.96 117.38 113.60 1dbx n GLN 11 Ca 0.05 -0.56 -0.18 0.00 -0.01 0.00 0.00 57.00 56.30 1dbx n GLN 11 Cb 0.19 -1.49 0.04 0.00 1.02 0.00 0.00 30.24 30.00 1dbx n GLN 11 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1dbx n LYS 12 N -0.58 -4.72 -3.09 -1.09 4.76 0.33 -4.99 118.16 108.79 1dbx n LYS 12 Ca 0.11 0.71 -0.39 0.00 -2.87 0.00 0.00 58.31 55.87 1dbx n LYS 12 Cb 0.37 -5.20 -0.05 0.00 -1.84 0.00 0.00 35.03 28.31 1dbx n LYS 12 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1dbx s ILE 13 N -3.12 5.05 0.21 -0.18 -1.09 -0.66 -5.01 121.20 116.40 1dbx s ILE 13 Ca 0.32 1.37 -0.31 0.00 -2.23 0.00 0.00 60.65 59.80 1dbx s ILE 13 Cb -0.14 -4.01 -0.10 0.00 -1.58 0.00 0.00 42.46 36.63 1dbx s ILE 13 CO 0.39 0.28 1.54 -2.84 -1.23 0.00 0.00 174.94 173.08 1dbx s PRO 14 N 0.69 4.21 0.15 2.79 0.02 -1.26 -4.75 135.00 136.85 1dbx s PRO 14 Ca 0.36 2.39 -0.19 0.00 0.02 0.00 0.00 61.00 63.58 1dbx s PRO 14 Cb -0.17 -3.11 0.05 0.00 0.02 0.00 0.00 34.50 31.28 1dbx s PRO 14 CO 0.17 -0.56 0.50 -0.59 -0.33 0.00 0.00 177.00 176.19 1dbx s PHE 15 N 0.60 -0.33 -0.09 6.54 -0.12 -1.26 -4.61 117.98 118.70 1dbx s PHE 15 Ca 0.66 0.06 0.03 0.00 -0.05 0.00 0.00 56.93 57.62 1dbx s PHE 15 Cb -0.44 0.41 -0.01 0.00 -0.63 0.00 0.00 43.02 42.34 1dbx s PHE 15 CO 0.38 -0.80 -0.18 0.42 -0.05 0.00 0.00 175.22 174.99 1dbx s ILE 16 N -3.79 2.63 -0.17 -4.49 1.01 -0.10 -4.97 121.20 111.32 1dbx s ILE 16 Ca 0.03 -0.84 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 1dbx s ILE 16 Cb 0.00 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1dbx s ILE 16 CO -0.11 0.55 0.33 -0.22 0.00 0.00 0.00 174.94 175.49 1dbx s LEU 17 N 0.02 4.22 -0.06 2.97 2.96 -1.26 -0.68 118.68 126.85 1dbx s LEU 17 Ca -0.06 0.53 0.04 0.00 -0.22 0.00 0.00 54.13 54.41 1dbx s LEU 17 Cb -0.15 -2.43 -0.02 0.00 0.50 0.00 0.00 46.19 44.09 1dbx s LEU 17 CO 0.05 0.05 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.94 1dbx s HIS 18 N 0.70 2.59 0.03 5.38 3.76 0.44 -5.00 115.29 123.18 1dbx s HIS 18 Ca 0.18 -0.44 0.09 0.00 -0.15 0.00 0.00 55.06 54.73 1dbx s HIS 18 Cb -0.14 -1.64 -0.03 0.00 1.11 0.00 0.00 32.58 31.89 1dbx s HIS 18 CO 0.05 -0.03 -0.25 0.99 -0.85 0.00 0.00 174.74 174.66 1dbx s THR 19 N -0.38 2.23 0.04 1.30 2.01 -1.26 -1.03 115.64 118.54 1dbx s THR 19 Ca 0.03 -1.28 -0.03 0.00 0.31 0.00 0.00 61.69 60.73 1dbx s THR 19 Cb -0.12 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 1dbx s THR 19 CO 0.02 0.42 0.03 -0.72 -0.69 0.00 0.00 174.62 173.68 1dbx s TYR 20 N -0.77 0.29 -0.49 4.92 -0.85 -0.39 -5.01 117.35 115.05 1dbx s TYR 20 Ca 0.12 -0.64 -0.28 0.00 -0.52 0.00 0.00 57.07 55.74 1dbx s TYR 20 Cb -0.10 -0.21 0.02 0.00 0.38 0.00 0.00 41.96 42.04 1dbx s TYR 20 CO 0.02 -0.32 1.34 -0.51 -1.52 0.00 0.00 175.55 174.56 1dbx s ASP 21 N -2.12 6.33 0.11 -0.18 1.01 -1.26 -4.47 116.67 116.08 1dbx s ASP 21 Ca -0.05 0.51 -0.30 0.00 0.71 0.00 0.00 52.55 53.41 1dbx s ASP 21 Cb -0.01 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.31 1dbx s ASP 21 CO -0.05 -1.50 1.09 -1.38 0.21 0.00 0.00 175.17 173.54 1dbx s HIS 22 N 5.43 3.59 -0.64 4.23 -3.43 -1.26 -4.99 115.29 118.22 1dbx s HIS 22 Ca 0.54 1.56 -0.16 0.00 -0.80 0.00 0.00 55.06 56.20 1dbx s HIS 22 Cb -0.11 -3.26 0.15 0.00 -1.43 0.00 0.00 32.58 27.94 1dbx s HIS 22 CO 0.29 -0.58 0.62 -0.51 -2.00 0.00 0.00 174.74 172.56 1dbx s ASP 23 N 0.41 6.37 -0.27 7.38 1.01 -1.26 -5.04 116.67 125.26 1dbx s ASP 23 Ca 0.52 -2.01 -0.02 0.00 0.71 0.00 0.00 52.55 51.74 1dbx s ASP 23 Cb -0.27 -2.23 -0.09 0.00 1.01 0.00 0.00 42.92 41.34 1dbx s ASP 23 CO 0.31 -0.81 1.28 -2.65 0.21 0.00 0.00 175.17 173.51 1dbx n PRO 24 N 5.05 0.00 0.00 8.23 -0.02 -1.26 -5.23 135.00 141.78 1dbx n PRO 24 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1dbx n PRO 24 Cb 0.43 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 1dbx n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dbx n GLY 30 N 4.64 0.50 2.47 -1.23 0.00 -1.26 -5.25 105.19 105.06 1dbx n GLY 30 Ca 0.19 0.69 -0.17 0.00 0.00 0.00 0.00 46.02 46.73 1dbx n GLY 30 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1dbx n ASP 31 N 4.13 -1.35 -0.03 1.61 -0.08 -1.26 -4.93 116.55 114.63 1dbx n ASP 31 Ca 0.00 -2.83 -0.09 0.00 -1.51 0.00 0.00 54.79 50.35 1dbx n ASP 31 Cb 0.00 0.42 -0.03 0.00 2.34 0.00 0.00 41.12 43.85 1dbx n ASP 31 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1dbx h GLU 32 N 4.46 0.08 -0.47 -0.67 4.81 -2.02 -1.99 114.58 118.79 1dbx h GLU 32 Ca 0.05 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 1dbx h GLU 32 Cb 0.96 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.25 1dbx h GLU 32 CO 0.34 0.06 0.02 0.00 -0.73 0.00 0.00 179.01 178.70 1dbx h ALA 33 N 1.14 0.46 -0.58 2.92 0.00 -1.98 0.45 119.26 121.67 1dbx h ALA 33 Ca 0.08 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1dbx h ALA 33 Cb 0.09 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1dbx h ALA 33 CO -0.12 -0.37 0.18 0.00 0.00 0.00 0.00 179.25 178.93 1dbx h ALA 34 N 1.41 1.21 -0.19 0.00 0.00 -1.81 -0.07 119.26 119.80 1dbx h ALA 34 Ca 0.24 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1dbx h ALA 34 Cb 0.34 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1dbx h ALA 34 CO -0.37 0.55 -0.30 0.93 0.00 0.00 0.00 179.25 180.06 1dbx h GLU 35 N 0.85 0.54 0.00 0.00 5.08 -0.38 0.32 114.58 121.00 1dbx h GLU 35 Ca 0.19 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1dbx h GLU 35 Cb 0.26 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1dbx h GLU 35 CO -0.01 0.93 -0.33 0.87 -1.00 0.00 0.00 179.01 179.47 1dbx h LYS 36 N 0.21 0.00 0.00 2.33 1.79 -0.02 -3.05 116.57 117.83 1dbx h LYS 36 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1dbx h LYS 36 Cb 0.88 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1dbx h LYS 36 CO 0.07 0.33 -1.01 1.28 -1.08 0.00 0.00 179.45 179.04 1dbx n LEU 37 N -3.24 0.76 -2.46 2.94 4.32 -0.05 -4.99 117.00 114.28 1dbx n LEU 37 Ca 0.02 -0.29 -0.12 0.00 -0.02 0.00 0.00 56.01 55.60 1dbx n LEU 37 Cb 0.61 -0.06 0.05 0.00 -1.62 0.00 0.00 43.42 42.40 1dbx n LEU 37 CO 0.37 0.17 0.10 0.61 -1.22 0.00 0.00 177.39 177.42 1dbx n GLY 38 N 1.46 -0.02 3.67 -0.72 0.00 -0.05 -5.03 105.19 104.49 1dbx n GLY 38 Ca 0.03 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1dbx n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dbx s ILE 39 N -3.21 4.01 -0.15 -0.61 -1.09 -0.32 -5.04 121.20 114.78 1dbx s ILE 39 Ca 0.14 -0.76 -0.39 0.00 -2.23 0.00 0.00 60.65 57.41 1dbx s ILE 39 Cb -0.06 -2.82 -0.16 0.00 -1.58 0.00 0.00 42.46 37.85 1dbx s ILE 39 CO 0.45 0.30 1.64 -0.67 -1.23 0.00 0.00 174.94 175.43 1dbx n ASP 40 N 1.17 2.29 0.10 3.58 -0.08 -1.26 -4.67 116.55 117.68 1dbx n ASP 40 Ca -0.14 1.08 0.19 0.00 -1.51 0.00 0.00 54.79 54.42 1dbx n ASP 40 Cb 0.52 -1.18 0.75 0.00 2.34 0.00 0.00 41.12 43.56 1dbx n ASP 40 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1dbx h PRO 41 N 6.61 0.00 0.00 -0.67 0.11 -1.92 0.93 132.00 137.06 1dbx h PRO 41 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1dbx h PRO 41 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1dbx h PRO 41 CO 0.91 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.79 1dbx n ASN 42 N -3.96 0.58 -0.18 -2.05 3.02 -1.26 -2.75 115.26 108.67 1dbx n ASN 42 Ca 0.06 0.61 0.10 0.00 -0.03 0.00 0.00 54.58 55.33 1dbx n ASN 42 Cb 0.52 -0.75 -0.08 0.00 -0.61 0.00 0.00 39.78 38.87 1dbx n ASN 42 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1dbx n ARG 43 N -2.11 0.55 -3.63 3.52 0.63 0.31 -4.77 116.66 111.17 1dbx n ARG 43 Ca 0.03 -0.36 -0.39 0.00 -0.92 0.00 0.00 57.85 56.21 1dbx n ARG 43 Cb 0.28 -1.47 -0.11 0.00 0.45 0.00 0.00 32.46 31.60 1dbx n ARG 43 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1dbx s SER 44 N -2.77 5.64 -0.08 6.15 0.15 -1.11 -1.68 113.70 120.00 1dbx s SER 44 Ca 0.12 -0.67 -0.02 0.00 0.70 0.00 0.00 55.95 56.07 1dbx s SER 44 Cb 0.16 -2.02 -0.03 0.00 -1.71 0.00 0.00 66.02 62.42 1dbx s SER 44 CO 0.75 -0.26 0.03 -0.36 1.20 0.00 0.00 173.24 174.59 1dbx s PHE 45 N 1.60 3.23 0.32 3.44 0.40 0.33 -0.75 117.98 126.54 1dbx s PHE 45 Ca 0.04 0.24 0.06 0.00 -0.60 0.00 0.00 56.93 56.67 1dbx s PHE 45 Cb -0.18 -1.80 -0.01 0.00 0.51 0.00 0.00 43.02 41.54 1dbx s PHE 45 CO 0.07 0.51 0.45 -1.59 0.70 0.00 0.00 175.22 175.36 1dbx s LYS 46 N -0.97 3.17 -0.12 0.44 -2.85 0.10 -4.15 119.74 115.36 1dbx s LYS 46 Ca 0.14 -0.97 0.01 0.00 -1.00 0.00 0.00 55.97 54.15 1dbx s LYS 46 Cb -0.11 -2.83 0.02 0.00 -2.06 0.00 0.00 37.83 32.84 1dbx s LYS 46 CO 0.03 0.13 -0.13 0.99 0.10 0.00 0.00 175.35 176.47 1dbx s THR 47 N -2.14 1.38 0.14 3.79 2.01 -1.26 -1.62 115.64 117.93 1dbx s THR 47 Ca 0.43 -0.54 0.10 0.00 0.31 0.00 0.00 61.69 62.00 1dbx s THR 47 Cb -0.09 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1dbx s THR 47 CO 0.31 0.42 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.68 1dbx s LEU 48 N 1.33 2.51 0.04 4.42 1.43 -0.11 -4.85 118.68 123.44 1dbx s LEU 48 Ca 0.00 -0.69 0.07 0.00 -1.03 0.00 0.00 54.13 52.48 1dbx s LEU 48 Cb -0.14 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 1dbx s LEU 48 CO -0.06 0.17 -0.17 -0.76 0.23 0.00 0.00 176.35 175.75 1dbx s LEU 49 N -2.22 2.64 0.13 1.79 1.02 -1.26 -1.06 118.68 119.72 1dbx s LEU 49 Ca 0.17 -0.40 0.09 0.00 0.02 0.00 0.00 54.13 54.00 1dbx s LEU 49 Cb -0.10 -1.54 -0.04 0.00 0.02 0.00 0.00 46.19 44.54 1dbx s LEU 49 CO 0.09 0.26 -0.20 0.68 0.02 0.00 0.00 176.35 177.19 1dbx s VAL 50 N -0.92 1.80 -0.21 -1.59 -7.23 -0.41 -1.31 120.40 110.53 1dbx s VAL 50 Ca 0.15 -1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 58.49 1dbx s VAL 50 Cb -0.11 -1.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 1dbx s VAL 50 CO 0.05 -0.16 0.20 0.00 -0.31 0.00 0.00 175.10 174.88 1dbx s ALA 51 N -1.52 3.63 -0.17 1.32 0.00 0.20 -1.06 121.76 124.16 1dbx s ALA 51 Ca 0.11 -0.72 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 1dbx s ALA 51 Cb -0.08 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 1dbx s ALA 51 CO 0.05 -0.05 1.32 -1.21 0.00 0.00 0.00 175.76 175.88 1dbx s GLU 52 N 0.77 4.18 -1.09 0.00 2.02 -0.42 -2.11 118.70 122.05 1dbx s GLU 52 Ca 0.10 1.68 0.00 0.00 0.02 0.00 0.00 54.97 56.77 1dbx s GLU 52 Cb -0.13 -3.81 0.00 0.00 0.10 0.00 0.00 34.13 30.30 1dbx s GLU 52 CO 0.03 -0.78 0.00 0.09 0.02 0.00 0.00 175.26 174.62 1dbx n ASN 53 N 6.81 -3.32 0.00 -0.19 3.02 0.57 -0.77 115.26 121.39 1dbx n ASN 53 Ca 0.14 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.95 1dbx n ASN 53 Cb 0.45 -3.00 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 1dbx n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dbx n GLY 54 N -0.49 0.53 3.54 7.41 0.00 -0.89 -4.99 105.19 110.30 1dbx n GLY 54 Ca -0.12 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 1dbx n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dbx s ASP 55 N -2.20 6.39 0.11 1.61 -1.08 0.05 -4.95 116.67 116.60 1dbx s ASP 55 Ca 0.00 -0.13 0.15 0.00 -0.52 0.00 0.00 52.55 52.05 1dbx s ASP 55 Cb 0.00 -2.36 0.67 0.00 -1.46 0.00 0.00 42.92 39.77 1dbx s ASP 55 CO 0.00 -0.82 1.47 0.00 0.52 0.00 0.00 175.17 176.34 1dbx n GLN 56 N 6.46 0.07 -0.39 4.34 1.13 -1.26 -1.17 117.38 126.56 1dbx n GLN 56 Ca 0.01 0.39 0.10 0.00 -1.94 0.00 0.00 57.00 55.55 1dbx n GLN 56 Cb 0.48 -1.66 0.29 0.00 0.11 0.00 0.00 30.24 29.46 1dbx n GLN 56 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1dbx n LYS 57 N -1.80 3.03 -3.85 -1.09 0.00 -1.26 -4.62 118.16 108.57 1dbx n LYS 57 Ca 0.02 -2.59 -0.30 0.00 -0.00 0.00 0.00 58.31 55.43 1dbx n LYS 57 Cb 0.14 -1.59 -0.11 0.00 -0.00 0.00 0.00 35.03 33.46 1dbx n LYS 57 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1dbx s LYS 58 N -1.29 2.55 0.23 -1.58 1.02 -0.32 -5.09 119.74 115.27 1dbx s LYS 58 Ca 0.44 -3.17 0.07 0.00 0.02 0.00 0.00 55.97 53.33 1dbx s LYS 58 Cb 0.25 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 1dbx s LYS 58 CO 0.26 -1.25 0.15 -0.51 -0.92 0.00 0.00 175.35 173.09 1dbx s LEU 59 N -1.16 3.73 0.04 3.17 1.43 -1.26 -1.30 118.68 123.33 1dbx s LEU 59 Ca 0.24 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1dbx s LEU 59 Cb -0.10 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 1dbx s LEU 59 CO -0.12 -0.00 -0.05 0.00 0.23 0.00 0.00 176.35 176.41 1dbx s ALA 60 N -2.04 0.44 -0.10 4.21 0.00 -0.23 -4.53 121.76 119.52 1dbx s ALA 60 Ca 0.32 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.41 1dbx s ALA 60 Cb -0.08 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 1dbx s ALA 60 CO 0.24 -0.18 -0.10 0.00 0.00 0.00 0.00 175.76 175.71 1dbx s PHE 62 N -0.25 1.78 -0.17 0.00 0.40 -0.22 -1.82 117.98 117.70 1dbx s PHE 62 Ca 0.02 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 55.82 1dbx s PHE 62 Cb -0.13 -1.21 0.02 0.00 0.51 0.00 0.00 43.02 42.22 1dbx s PHE 62 CO 0.03 -0.20 -0.18 0.08 0.70 0.00 0.00 175.22 175.65 1dbx s VAL 63 N 0.11 1.92 0.06 -0.44 1.01 0.18 -0.93 120.40 122.30 1dbx s VAL 63 Ca -0.06 -0.85 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 1dbx s VAL 63 Cb -0.12 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1dbx s VAL 63 CO 0.03 0.52 0.29 -1.48 0.00 0.00 0.00 175.10 174.46 1dbx s LEU 64 N 1.34 0.93 0.51 3.92 2.34 -0.64 -0.49 118.68 126.58 1dbx s LEU 64 Ca 0.05 -0.28 -0.23 0.00 0.06 0.00 0.00 54.13 53.73 1dbx s LEU 64 Cb -0.13 1.34 -0.06 0.00 -0.56 0.00 0.00 46.19 46.78 1dbx s LEU 64 CO -0.12 -0.65 1.32 0.00 -1.06 0.00 0.00 176.35 175.84 1dbx s ALA 65 N -2.87 2.93 0.51 1.48 0.00 -1.26 0.01 121.76 122.56 1dbx s ALA 65 Ca -0.03 1.26 0.26 0.00 0.00 0.00 0.00 51.96 53.45 1dbx s ALA 65 Cb 0.00 -3.53 1.55 0.00 0.00 0.00 0.00 23.12 21.15 1dbx s ALA 65 CO -0.05 -1.17 2.16 1.79 0.00 0.00 0.00 175.76 178.48 1dbx h THR 66 N 1.70 0.66 0.00 0.00 1.35 -1.05 -0.57 112.91 115.00 1dbx h THR 66 Ca -0.50 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1dbx h THR 66 Cb 1.28 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1dbx h THR 66 CO 0.59 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.92 1dbx n ALA 67 N -2.35 1.49 -2.73 6.62 0.00 -1.23 -4.98 120.51 117.33 1dbx n ALA 67 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1dbx n ALA 67 Cb 0.15 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1dbx n ALA 67 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1dbx n ASN 68 N -1.45 0.00 -4.45 0.00 3.02 -0.22 -5.05 115.26 107.11 1dbx n ASN 68 Ca 0.03 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.25 1dbx n ASN 68 Cb 0.11 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.14 1dbx n ASN 68 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1dbx s LEU 70 N 0.00 2.86 -0.46 3.41 2.96 -1.26 -4.84 118.68 121.35 1dbx s LEU 70 Ca 0.00 -0.22 -0.18 0.00 -0.22 0.00 0.00 54.13 53.51 1dbx s LEU 70 Cb 0.00 -1.63 0.04 0.00 0.50 0.00 0.00 46.19 45.10 1dbx s LEU 70 CO 0.00 0.24 0.53 0.21 -1.32 0.00 0.00 176.35 176.01 1dbx s ASN 71 N -0.09 6.22 0.33 3.68 3.84 -0.05 -4.72 114.94 124.16 1dbx s ASN 71 Ca -0.01 -0.77 0.06 0.00 0.21 0.00 0.00 52.86 52.35 1dbx s ASN 71 Cb -0.14 -2.26 0.59 0.00 -0.55 0.00 0.00 41.25 38.90 1dbx s ASN 71 CO 0.03 -0.72 1.81 -0.07 -2.79 0.00 0.00 177.10 175.36 1dbx h LEU 72 N 9.34 0.33 -0.04 3.21 3.38 -1.94 0.17 115.31 129.75 1dbx h LEU 72 Ca -0.27 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1dbx h LEU 72 Cb 1.10 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1dbx h LEU 72 CO 0.87 0.55 0.03 0.11 0.09 0.00 0.00 178.44 180.09 1dbx h LYS 73 N 0.30 0.06 -0.72 1.13 1.57 -1.93 -0.97 116.57 116.01 1dbx h LYS 73 Ca 0.05 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1dbx h LYS 73 Cb 0.54 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1dbx h LYS 73 CO 0.04 0.06 0.42 0.87 -0.57 0.00 0.00 179.45 180.27 1dbx h LYS 74 N 0.04 0.98 -0.22 3.15 1.57 -1.73 -1.93 116.57 118.42 1dbx h LYS 74 Ca 0.01 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 1dbx h LYS 74 Cb 0.02 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1dbx h LYS 74 CO -0.00 0.69 -0.07 0.00 -0.57 0.00 0.00 179.45 179.50 1dbx h ALA 75 N 1.47 0.30 -0.56 3.86 0.00 -0.49 -1.23 119.26 122.61 1dbx h ALA 75 Ca 0.26 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1dbx h ALA 75 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1dbx h ALA 75 CO -0.05 0.11 0.35 0.00 0.00 0.00 0.00 179.25 179.67 1dbx h ALA 76 N 0.73 0.71 0.00 0.00 0.00 -1.09 -2.26 119.26 117.35 1dbx h ALA 76 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1dbx h ALA 76 Cb 0.54 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1dbx h ALA 76 CO 0.03 0.10 -0.08 -0.22 0.00 0.00 0.00 179.25 179.08 1dbx h LYS 77 N 0.71 0.00 0.00 0.00 3.64 -1.08 -1.59 116.57 118.25 1dbx h LYS 77 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1dbx h LYS 77 Cb -0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1dbx h LYS 77 CO -0.07 0.08 0.00 0.66 -2.27 0.00 0.00 179.45 177.85 1dbx h SER 78 N 0.00 0.00 -0.04 4.20 4.64 -0.61 -2.71 113.55 119.04 1dbx h SER 78 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dbx h SER 78 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1dbx h SER 78 CO 0.01 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.27 1dbx n ILE 79 N -2.72 0.64 -1.85 0.95 -5.35 -0.79 -5.00 119.36 105.23 1dbx n ILE 79 Ca 0.02 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.68 1dbx n ILE 79 Cb 0.33 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 38.93 1dbx n ILE 79 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dbx n GLY 80 N -0.16 0.43 3.40 3.28 0.00 -0.67 -5.04 105.19 106.43 1dbx n GLY 80 Ca 0.02 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 1dbx n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dbx s VAL 81 N -2.00 2.31 0.08 1.61 1.01 -0.88 -5.05 120.40 117.49 1dbx s VAL 81 Ca 0.00 -1.74 -0.18 0.00 0.00 0.00 0.00 61.98 60.06 1dbx s VAL 81 Cb 0.00 -2.02 -0.09 0.00 0.00 0.00 0.00 36.38 34.27 1dbx s VAL 81 CO 0.00 0.09 1.50 0.50 0.00 0.00 0.00 175.10 177.19 1dbx h LYS 82 N 3.87 0.45 -4.23 2.72 3.64 -1.96 -3.38 116.57 117.67 1dbx h LYS 82 Ca -0.51 -0.15 -0.16 0.00 -1.27 0.00 0.00 60.65 58.56 1dbx h LYS 82 Cb 1.17 -0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.81 1dbx h LYS 82 CO 0.40 0.64 -0.52 0.15 -2.27 0.00 0.00 179.45 177.84 1dbx s LYS 83 N -4.90 1.02 0.06 1.90 1.02 -1.26 -4.89 119.74 112.69 1dbx s LYS 83 Ca -0.14 -1.35 0.01 0.00 0.02 0.00 0.00 55.97 54.52 1dbx s LYS 83 Cb 0.07 0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 37.65 1dbx s LYS 83 CO 0.75 -0.32 -0.06 0.54 -0.92 0.00 0.00 175.35 175.33 1dbx s VAL 84 N -4.02 0.50 0.00 3.17 0.11 -1.26 -0.31 120.40 118.58 1dbx s VAL 84 Ca 0.22 -1.43 0.00 0.00 -2.93 0.00 0.00 61.98 57.84 1dbx s VAL 84 Cb 0.06 -1.03 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 1dbx s VAL 84 CO 0.01 -0.63 0.00 -0.62 -3.33 0.00 0.00 175.10 170.53 1dbx n GLU 85 N 0.82 0.00 -4.68 1.54 1.02 -0.96 -4.93 120.64 113.44 1dbx n GLU 85 Ca -0.18 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.64 1dbx n GLU 85 Cb 0.57 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.87 1dbx n GLU 85 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dbx s ALA 87 N -2.00 2.69 0.29 0.62 0.00 -0.43 -0.63 121.76 122.30 1dbx s ALA 87 Ca 0.00 -1.11 -0.28 0.00 0.00 0.00 0.00 51.96 50.57 1dbx s ALA 87 Cb 0.00 -0.86 -0.14 0.00 0.00 0.00 0.00 23.12 22.12 1dbx s ALA 87 CO 0.00 0.58 0.99 -3.47 0.00 0.00 0.00 175.76 173.86 1dbx n ASP 88 N 1.72 1.21 -0.08 0.00 2.03 -1.26 -4.78 116.55 115.38 1dbx n ASP 88 Ca -0.16 1.18 -0.08 0.00 0.52 0.00 0.00 54.79 56.25 1dbx n ASP 88 Cb 0.52 -1.28 -0.01 0.00 -0.72 0.00 0.00 41.12 39.64 1dbx n ASP 88 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1dbx h LYS 89 N 1.94 0.25 -0.13 -0.67 3.64 -1.99 0.89 116.57 120.50 1dbx h LYS 89 Ca -0.39 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.99 1dbx h LYS 89 Cb 1.34 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 1dbx h LYS 89 CO 0.60 0.16 0.00 0.22 -2.27 0.00 0.00 179.45 178.17 1dbx h ASP 90 N 0.25 -0.05 -0.83 4.20 3.58 -1.98 0.25 116.42 121.85 1dbx h ASP 90 Ca 0.12 0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.65 1dbx h ASP 90 Cb 0.07 0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.12 1dbx h ASP 90 CO -0.11 -0.00 0.52 0.00 -2.88 0.00 0.00 179.24 176.76 1dbx h ALA 91 N 1.11 1.11 -0.13 -0.78 0.00 -1.76 0.42 119.26 119.23 1dbx h ALA 91 Ca 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1dbx h ALA 91 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1dbx h ALA 91 CO -0.10 0.30 0.06 0.00 0.00 0.00 0.00 179.25 179.50 1dbx h ALA 92 N 1.37 0.17 -0.54 0.00 0.00 -0.09 -1.37 119.26 118.80 1dbx h ALA 92 Ca 0.34 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1dbx h ALA 92 Cb 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1dbx h ALA 92 CO -0.14 -0.26 -0.01 1.96 0.00 0.00 0.00 179.25 180.80 1dbx h GLN 93 N 0.07 0.96 -0.07 0.00 4.20 -0.04 -1.36 115.11 118.86 1dbx h GLN 93 Ca 0.04 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 1dbx h GLN 93 Cb 0.14 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 1dbx h GLN 93 CO -0.00 0.97 0.03 0.87 -0.67 0.00 0.00 178.83 180.03 1dbx h LYS 94 N 0.83 0.11 -0.31 1.46 1.79 -0.13 -0.31 116.57 120.02 1dbx h LYS 94 Ca 0.15 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.63 1dbx h LYS 94 Cb 0.54 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 1dbx h LYS 94 CO 0.03 0.23 0.12 1.03 -1.08 0.00 0.00 179.45 179.77 1dbx h SER 95 N -0.03 0.15 0.72 0.86 0.87 -1.17 -3.27 113.55 111.68 1dbx h SER 95 Ca 0.02 0.03 -0.26 0.00 -1.23 0.00 0.00 61.79 60.36 1dbx h SER 95 Cb 0.16 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 1dbx h SER 95 CO -0.00 0.12 -1.37 0.71 -0.53 0.00 0.00 176.83 175.75 1dbx h THR 96 N 0.26 1.26 0.00 2.23 1.35 -1.25 -1.84 112.91 114.93 1dbx h THR 96 Ca 0.14 -3.04 0.00 0.00 -0.55 0.00 0.00 66.41 62.96 1dbx h THR 96 Cb 0.09 2.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1dbx h THR 96 CO -0.13 0.73 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 1dbx n GLY 97 N 1.47 0.57 3.59 5.82 0.00 -0.13 -1.85 105.19 114.66 1dbx n GLY 97 Ca -0.09 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1dbx n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dbx s TYR 98 N -2.00 2.49 0.13 1.61 4.12 -1.22 -5.01 117.35 117.47 1dbx s TYR 98 Ca 0.00 -0.46 0.02 0.00 0.02 0.00 0.00 57.07 56.65 1dbx s TYR 98 Cb 0.00 -1.44 -0.04 0.00 -1.52 0.00 0.00 41.96 38.96 1dbx s TYR 98 CO 0.00 0.52 0.27 -0.51 0.02 0.00 0.00 175.55 175.85 1dbx s LEU 99 N -3.67 4.34 0.24 -1.29 1.43 -1.26 -4.32 118.68 114.15 1dbx s LEU 99 Ca 0.34 0.19 -0.31 0.00 -1.03 0.00 0.00 54.13 53.32 1dbx s LEU 99 Cb 0.01 -2.92 -0.13 0.00 0.03 0.00 0.00 46.19 43.18 1dbx s LEU 99 CO 0.18 0.07 1.48 0.52 0.23 0.00 0.00 176.35 178.83 1dbx n VAL 100 N -0.39 0.80 0.00 -1.59 0.31 -1.26 -0.88 118.33 115.32 1dbx n VAL 100 Ca -0.07 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1dbx n VAL 100 Cb 0.53 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 1dbx n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1dbx n GLY 101 N 2.39 1.66 0.94 2.92 0.00 -1.26 -4.82 105.19 107.01 1dbx n GLY 101 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.16 1dbx n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dbx n GLY 102 N -2.00 1.19 3.61 -0.02 0.00 -0.06 -4.08 105.19 103.83 1dbx n GLY 102 Ca 0.00 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1dbx n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dbx s ILE 103 N -0.32 4.39 0.22 -0.61 1.01 -1.12 -3.69 121.20 121.09 1dbx s ILE 103 Ca 0.19 1.30 -0.15 0.00 0.00 0.00 0.00 60.65 62.00 1dbx s ILE 103 Cb 0.21 -4.48 -0.08 0.00 0.01 0.00 0.00 42.46 38.12 1dbx s ILE 103 CO -0.08 -0.76 0.63 -0.55 0.00 0.00 0.00 174.94 174.18 1dbx s SER 104 N 2.11 6.82 0.26 3.58 0.15 -1.26 -4.38 113.70 120.97 1dbx s SER 104 Ca 0.44 1.16 0.23 0.00 0.70 0.00 0.00 55.95 58.49 1dbx s SER 104 Cb -0.10 -2.32 0.98 0.00 -1.71 0.00 0.00 66.02 62.87 1dbx s SER 104 CO 0.24 -0.02 1.70 -0.81 1.20 0.00 0.00 173.24 175.55 1dbx n PRO 105 N 0.30 0.19 -4.37 5.44 -0.04 -1.26 -4.70 135.00 130.56 1dbx n PRO 105 Ca -0.01 0.43 -0.32 0.00 -0.04 0.00 0.00 63.50 63.55 1dbx n PRO 105 Cb 0.52 -1.87 -0.10 0.00 -0.04 0.00 0.00 33.50 32.02 1dbx n PRO 105 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1dbx s LEU 106 N -4.45 3.34 -1.22 1.53 2.01 -1.26 -4.56 118.68 114.07 1dbx s LEU 106 Ca 0.04 -0.08 0.00 0.00 0.01 0.00 0.00 54.13 54.10 1dbx s LEU 106 Cb 0.09 -1.92 0.00 0.00 0.01 0.00 0.00 46.19 44.38 1dbx s LEU 106 CO 0.38 0.28 0.00 0.61 1.01 0.00 0.00 176.35 178.63 1dbx n GLY 107 N 1.46 1.08 3.76 -3.19 0.00 -1.26 -3.86 105.19 103.17 1dbx n GLY 107 Ca -0.15 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 1dbx n GLY 107 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dbx s GLN 108 N -3.24 3.37 0.22 1.61 -0.21 -1.26 -4.55 119.66 115.60 1dbx s GLN 108 Ca 0.00 1.90 -0.09 0.00 0.02 0.00 0.00 55.36 57.19 1dbx s GLN 108 Cb 0.00 -2.22 0.18 0.00 1.00 0.00 0.00 33.01 31.97 1dbx s GLN 108 CO 0.00 -0.91 1.86 0.87 -2.12 0.00 0.00 175.29 175.00 1dbx h LYS 109 N 1.54 1.13 -4.99 2.91 1.79 -1.37 -3.33 116.57 114.25 1dbx h LYS 109 Ca -0.50 -0.11 -0.65 0.00 -2.18 0.00 0.00 60.65 57.22 1dbx h LYS 109 Cb 1.27 -0.23 -0.22 0.00 -1.58 0.00 0.00 32.23 31.47 1dbx h LYS 109 CO 0.58 0.80 -0.63 0.15 -1.08 0.00 0.00 179.45 179.27 1dbx s LYS 110 N -5.96 3.67 -0.07 3.15 -0.14 -0.69 -5.05 119.74 114.64 1dbx s LYS 110 Ca -0.13 -0.48 -0.30 0.00 -1.36 0.00 0.00 55.97 53.71 1dbx s LYS 110 Cb 0.16 -3.29 -0.03 0.00 -1.68 0.00 0.00 37.83 32.99 1dbx s LYS 110 CO 0.81 -0.14 1.26 1.03 -0.76 0.00 0.00 175.35 177.54 1dbx s ARG 111 N 1.47 4.31 0.30 1.68 0.52 -1.25 -4.81 118.95 121.16 1dbx s ARG 111 Ca 0.06 1.73 0.07 0.00 -0.52 0.00 0.00 55.73 57.06 1dbx s ARG 111 Cb -0.15 -3.61 -0.06 0.00 0.52 0.00 0.00 34.95 31.65 1dbx s ARG 111 CO 0.03 -0.53 -0.06 0.14 0.02 0.00 0.00 175.30 174.90 1dbx s VAL 112 N 2.57 1.73 0.27 3.52 -7.23 -1.26 -5.11 120.40 114.88 1dbx s VAL 112 Ca 0.57 -2.13 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 1dbx s VAL 112 Cb -0.25 -2.51 -0.13 0.00 0.56 0.00 0.00 36.38 34.04 1dbx s VAL 112 CO 0.21 -0.26 1.38 2.29 -0.31 0.00 0.00 175.10 178.41 1dbx n LYS 113 N -0.63 2.08 -4.67 4.82 2.85 -1.26 -4.75 118.16 116.60 1dbx n LYS 113 Ca -0.05 0.74 -0.23 0.00 -1.05 0.00 0.00 58.31 57.72 1dbx n LYS 113 Cb 0.64 -2.38 -0.15 0.00 -0.65 0.00 0.00 35.03 32.49 1dbx n LYS 113 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1dbx s THR 114 N -0.33 1.27 -0.07 0.58 2.01 -1.26 -0.82 115.64 117.02 1dbx s THR 114 Ca 0.65 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.88 1dbx s THR 114 Cb -0.62 -1.07 0.02 0.00 0.01 0.00 0.00 72.50 70.84 1dbx s THR 114 CO 0.53 0.28 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.97 1dbx s VAL 115 N -0.48 0.92 -0.11 3.82 1.01 -0.76 -2.09 120.40 122.71 1dbx s VAL 115 Ca 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 1dbx s VAL 115 Cb -0.07 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1dbx s VAL 115 CO -0.00 0.32 -0.00 -0.63 0.00 0.00 0.00 175.10 174.79 1dbx s ILE 116 N 1.07 4.25 0.38 2.22 1.01 -0.18 -0.65 121.20 129.30 1dbx s ILE 116 Ca -0.08 -0.26 -0.28 0.00 0.00 0.00 0.00 60.65 60.04 1dbx s ILE 116 Cb -0.14 -2.81 -0.10 0.00 0.01 0.00 0.00 42.46 39.41 1dbx s ILE 116 CO -0.01 0.57 1.42 0.21 0.00 0.00 0.00 174.94 177.13 1dbx s ASN 117 N -0.48 6.39 0.47 3.58 3.04 0.35 -2.09 114.94 126.20 1dbx s ASN 117 Ca 0.08 2.91 0.30 0.00 0.04 0.00 0.00 52.86 56.20 1dbx s ASN 117 Cb -0.12 -2.66 1.14 0.00 -1.54 0.00 0.00 41.25 38.07 1dbx s ASN 117 CO 0.02 -0.83 1.88 0.77 -3.04 0.00 0.00 177.10 175.90 1dbx h SER 118 N 2.98 0.00 0.43 -4.21 4.64 -1.73 -1.19 113.55 114.48 1dbx h SER 118 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1dbx h SER 118 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1dbx h SER 118 CO 0.64 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.95 1dbx n THR 119 N -2.89 1.14 -0.33 2.95 -2.24 -1.26 -1.15 114.28 110.50 1dbx n THR 119 Ca 0.02 0.30 0.21 0.00 -2.27 0.00 0.00 64.05 62.30 1dbx n THR 119 Cb 0.32 -1.11 0.46 0.00 -2.10 0.00 0.00 70.33 67.90 1dbx n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dbx h ALA 120 N 2.39 2.06 0.00 6.98 0.00 -1.57 -1.27 119.26 127.84 1dbx h ALA 120 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1dbx h ALA 120 Cb 0.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1dbx h ALA 120 CO 0.00 -0.49 0.00 1.28 0.00 0.00 0.00 179.25 180.04 1dbx n LEU 121 N -4.72 0.00 0.13 0.00 4.77 -0.30 -2.12 117.00 114.75 1dbx n LEU 121 Ca 0.26 0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.45 1dbx n LEU 121 Cb 0.82 -0.09 0.48 0.00 -2.33 0.00 0.00 43.42 42.30 1dbx n LEU 121 CO 0.22 -0.04 0.86 -0.62 -1.33 0.00 0.00 177.39 176.48 1dbx n GLU 122 N -1.09 0.20 -4.30 3.23 -0.58 -0.48 -4.89 120.64 112.74 1dbx n GLU 122 Ca 0.11 0.39 -0.30 0.00 -0.42 0.00 0.00 57.16 56.94 1dbx n GLU 122 Cb 0.08 -1.86 -0.11 0.00 -0.57 0.00 0.00 31.44 28.98 1dbx n GLU 122 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1dbx s PHE 123 N -3.28 2.62 0.23 -0.32 0.40 -0.90 -5.01 117.98 111.72 1dbx s PHE 123 Ca 0.05 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.18 1dbx s PHE 123 Cb 0.10 -1.39 0.24 0.00 0.51 0.00 0.00 43.02 42.48 1dbx s PHE 123 CO 0.42 0.39 1.58 0.93 0.70 0.00 0.00 175.22 179.24 1dbx h GLU 124 N 3.75 0.39 -4.27 0.44 4.39 -1.90 -3.43 114.58 113.96 1dbx h GLU 124 Ca -0.49 -0.23 -0.14 0.00 0.34 0.00 0.00 59.36 58.84 1dbx h GLU 124 Cb 1.17 0.02 -0.15 0.00 -0.10 0.00 0.00 28.75 29.69 1dbx h GLU 124 CO 0.49 0.81 -0.65 0.95 -1.16 0.00 0.00 179.01 179.44 1dbx s THR 125 N -3.98 0.18 0.23 1.13 -4.23 -1.26 -4.27 115.64 103.44 1dbx s THR 125 Ca -0.06 -1.81 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 1dbx s THR 125 Cb 0.12 -1.66 -0.05 0.00 1.34 0.00 0.00 72.50 72.25 1dbx s THR 125 CO 0.81 -0.83 0.01 0.27 -0.54 0.00 0.00 174.62 174.35 1dbx s ILE 126 N -3.95 0.92 -0.13 2.99 -4.36 0.89 -4.90 121.20 112.66 1dbx s ILE 126 Ca 0.12 -2.02 -0.00 0.00 -0.26 0.00 0.00 60.65 58.48 1dbx s ILE 126 Cb 0.08 -2.38 -0.02 0.00 1.25 0.00 0.00 42.46 41.39 1dbx s ILE 126 CO -0.07 -0.28 -0.12 -0.31 0.24 0.00 0.00 174.94 174.40 1dbx s TYR 127 N -3.49 2.83 0.24 1.37 1.51 -0.68 -0.67 117.35 118.45 1dbx s TYR 127 Ca 0.29 -0.61 0.07 0.00 -1.01 0.00 0.00 57.07 55.82 1dbx s TYR 127 Cb 0.06 -1.85 -0.05 0.00 -0.11 0.00 0.00 41.96 40.01 1dbx s TYR 127 CO 0.09 -0.19 -0.10 0.14 -1.11 0.00 0.00 175.55 174.38 1dbx s VAL 128 N 0.34 1.65 0.45 0.71 -7.23 0.47 -0.52 120.40 116.28 1dbx s VAL 128 Ca -0.10 -2.16 -0.25 0.00 -1.81 0.00 0.00 61.98 57.66 1dbx s VAL 128 Cb -0.16 -2.24 -0.08 0.00 0.56 0.00 0.00 36.38 34.46 1dbx s VAL 128 CO 0.05 -0.45 1.32 -0.24 -0.31 0.00 0.00 175.10 175.48 1dbx n SER 129 N -0.47 2.76 -0.88 4.85 2.88 -1.26 -0.13 113.62 121.37 1dbx n SER 129 Ca -0.07 1.08 0.08 0.00 -1.33 0.00 0.00 58.87 58.64 1dbx n SER 129 Cb 0.62 -1.54 0.21 0.00 -0.75 0.00 0.00 64.21 62.75 1dbx n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1dbx n GLY 130 N 0.75 1.23 0.00 0.46 0.00 -0.45 -4.38 105.19 102.79 1dbx n GLY 130 Ca 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1dbx n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dbx n GLY 131 N 1.26 0.59 3.37 -0.02 0.00 -1.25 -4.54 105.19 104.61 1dbx n GLY 131 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 1dbx n GLY 131 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dbx s LYS 132 N -0.75 0.72 0.22 1.61 -2.85 -1.24 -4.80 119.74 112.64 1dbx s LYS 132 Ca 0.00 0.28 -0.32 0.00 -1.00 0.00 0.00 55.97 54.93 1dbx s LYS 132 Cb 0.00 0.34 -0.14 0.00 -2.06 0.00 0.00 37.83 35.96 1dbx s LYS 132 CO 0.00 -0.17 1.31 0.54 0.10 0.00 0.00 175.35 177.13 1dbx n ARG 133 N 1.84 1.71 -0.27 1.78 1.74 -1.26 -2.06 116.66 120.14 1dbx n ARG 133 Ca -0.18 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 1dbx n ARG 133 Cb 0.56 -2.20 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 1dbx n ARG 133 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1dbx n GLY 134 N 2.09 0.65 3.05 -0.13 0.00 -1.26 -4.82 105.19 104.77 1dbx n GLY 134 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1dbx n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dbx s LEU 135 N 0.00 1.77 -0.02 0.99 1.43 -0.87 -1.26 118.68 120.72 1dbx s LEU 135 Ca 0.00 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1dbx s LEU 135 Cb 0.00 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.45 1dbx s LEU 135 CO 0.00 0.08 -0.08 -0.55 0.23 0.00 0.00 176.35 176.03 1dbx s SER 136 N 0.31 1.01 -0.20 2.29 0.15 -0.20 -1.35 113.70 115.71 1dbx s SER 136 Ca -0.07 -0.15 -0.06 0.00 0.70 0.00 0.00 55.95 56.36 1dbx s SER 136 Cb -0.12 -0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 63.92 1dbx s SER 136 CO 0.02 0.06 0.04 -0.69 1.20 0.00 0.00 173.24 173.87 1dbx s VAL 137 N 0.15 4.33 -0.21 4.45 1.01 0.82 -0.42 120.40 130.53 1dbx s VAL 137 Ca -0.02 -0.18 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 1dbx s VAL 137 Cb -0.07 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 1dbx s VAL 137 CO 0.00 0.42 0.12 -0.70 0.00 0.00 0.00 175.10 174.94 1dbx s GLU 138 N 0.91 4.10 -0.15 2.72 2.12 0.14 -0.39 118.70 128.16 1dbx s GLU 138 Ca 0.03 -0.26 -0.18 0.00 0.36 0.00 0.00 54.97 54.91 1dbx s GLU 138 Cb -0.14 -3.40 0.05 0.00 0.26 0.00 0.00 34.13 30.90 1dbx s GLU 138 CO 0.02 0.23 0.48 -1.50 -0.54 0.00 0.00 175.26 173.96 1dbx s ILE 139 N 0.54 0.01 0.24 -3.70 2.07 0.15 -0.93 121.20 119.59 1dbx s ILE 139 Ca 0.07 -0.07 -0.30 0.00 -1.41 0.00 0.00 60.65 58.94 1dbx s ILE 139 Cb -0.12 -0.71 -0.10 0.00 0.13 0.00 0.00 42.46 41.66 1dbx s ILE 139 CO 0.00 -0.04 1.48 0.00 -1.91 0.00 0.00 174.94 174.48 1dbx s ALA 140 N -0.11 3.67 0.26 1.50 0.00 -1.26 -0.08 121.76 125.75 1dbx s ALA 140 Ca -0.03 1.37 -0.03 0.00 0.00 0.00 0.00 51.96 53.27 1dbx s ALA 140 Cb -0.03 -3.58 0.33 0.00 0.00 0.00 0.00 23.12 19.83 1dbx s ALA 140 CO 0.02 -0.79 1.84 -1.00 0.00 0.00 0.00 175.76 175.83 1dbx h PRO 141 N 5.28 1.00 -0.05 0.00 0.13 -1.82 -1.04 132.00 135.49 1dbx h PRO 141 Ca -0.46 -0.17 -0.03 0.00 -0.87 0.00 0.00 66.00 64.48 1dbx h PRO 141 Cb 1.22 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1dbx h PRO 141 CO 0.80 0.82 -0.10 1.96 -0.23 0.00 0.00 178.00 181.25 1dbx h GLN 142 N 0.98 0.07 -0.23 0.86 1.08 -1.92 -1.26 115.11 114.69 1dbx h GLN 142 Ca 0.23 -0.01 -0.13 0.00 -1.45 0.00 0.00 58.65 57.29 1dbx h GLN 142 Cb 0.19 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1dbx h GLN 142 CO -0.02 0.18 -0.36 -0.44 -0.95 0.00 0.00 178.83 177.24 1dbx h ASP 143 N 0.07 0.72 -0.47 1.46 3.32 -1.61 -0.54 116.42 119.36 1dbx h ASP 143 Ca 0.02 -0.52 0.05 0.00 0.02 0.00 0.00 57.03 56.60 1dbx h ASP 143 Cb 0.23 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 1dbx h ASP 143 CO 0.01 1.10 0.21 0.25 -1.72 0.00 0.00 179.24 179.09 1dbx h LEU 144 N 0.35 0.27 -0.53 1.55 5.85 -1.07 -1.79 115.31 119.95 1dbx h LEU 144 Ca 0.02 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1dbx h LEU 144 Cb 0.95 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1dbx h LEU 144 CO 0.08 0.19 -0.02 0.00 -0.34 0.00 0.00 178.44 178.35 1dbx h ALA 145 N 1.28 0.71 -0.77 1.25 0.00 -0.98 -2.74 119.26 118.01 1dbx h ALA 145 Ca 0.22 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1dbx h ALA 145 Cb 0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1dbx h ALA 145 CO -0.18 0.55 0.36 -0.22 0.00 0.00 0.00 179.25 179.76 1dbx h LYS 146 N 0.82 1.12 -0.77 0.00 3.64 -0.88 0.26 116.57 120.76 1dbx h LYS 146 Ca 0.15 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1dbx h LYS 146 Cb 0.56 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1dbx h LYS 146 CO 0.03 0.88 0.47 0.28 -2.27 0.00 0.00 179.45 178.84 1dbx h VAL 147 N 1.10 1.21 -0.02 2.00 2.07 -1.10 -2.91 116.25 118.60 1dbx h VAL 147 Ca 0.26 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1dbx h VAL 147 Cb 0.14 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1dbx h VAL 147 CO -0.03 0.22 -0.22 0.18 0.02 0.00 0.00 177.57 177.74 1dbx n LEU 148 N -4.39 2.28 -4.05 2.57 4.77 -0.98 -4.95 117.00 112.25 1dbx n LEU 148 Ca 0.08 -0.78 -0.31 0.00 -0.03 0.00 0.00 56.01 54.97 1dbx n LEU 148 Cb 0.06 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1dbx n LEU 148 CO 0.37 0.40 -0.06 0.61 -1.33 0.00 0.00 177.39 177.37 1dbx n GLY 149 N 1.36 -0.38 3.88 -0.72 0.00 0.71 -4.66 105.19 105.38 1dbx n GLY 149 Ca 0.12 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 1dbx n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dbx s ALA 150 N -3.52 3.24 0.25 4.61 0.00 -0.09 -4.76 121.76 121.48 1dbx s ALA 150 Ca 0.46 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 52.28 1dbx s ALA 150 Cb -0.24 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1dbx s ALA 150 CO 0.89 -0.41 0.15 -2.00 0.00 0.00 0.00 175.76 174.38 1dbx s GLU 151 N -4.69 2.78 -0.24 0.00 2.12 -0.89 -4.81 118.70 112.97 1dbx s GLU 151 Ca 0.52 -1.13 -0.07 0.00 0.36 0.00 0.00 54.97 54.65 1dbx s GLU 151 Cb -0.11 -2.47 -0.03 0.00 0.26 0.00 0.00 34.13 31.78 1dbx s GLU 151 CO 0.45 0.40 0.07 -0.06 -0.54 0.00 0.00 175.26 175.57 1dbx s PHE 152 N -2.15 3.09 0.01 5.30 0.40 -1.26 -1.01 117.98 122.37 1dbx s PHE 152 Ca 0.32 -0.38 -0.10 0.00 -0.60 0.00 0.00 56.93 56.17 1dbx s PHE 152 Cb -0.08 -2.22 0.01 0.00 0.51 0.00 0.00 43.02 41.24 1dbx s PHE 152 CO 0.24 -0.32 0.21 0.99 0.70 0.00 0.00 175.22 177.04 1dbx s THR 153 N 1.51 0.09 -0.32 0.64 2.01 -0.89 -4.81 115.64 113.87 1dbx s THR 153 Ca 0.06 -0.70 -0.29 0.00 0.31 0.00 0.00 61.69 61.07 1dbx s THR 153 Cb -0.15 -0.66 0.00 0.00 0.01 0.00 0.00 72.50 71.71 1dbx s THR 153 CO 0.04 -0.39 1.33 -0.62 -0.69 0.00 0.00 174.62 174.29 1dbx s ASP 154 N -1.63 6.60 -0.02 3.53 2.15 -1.26 -2.07 116.67 123.97 1dbx s ASP 154 Ca -0.11 1.15 0.04 0.00 0.43 0.00 0.00 52.55 54.05 1dbx s ASP 154 Cb -0.05 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 40.09 1dbx s ASP 154 CO 0.00 -1.15 0.89 2.30 -0.17 0.00 0.00 175.17 177.05 1dbx n ILE 155 N 6.38 0.78 -4.34 4.11 -5.35 -1.26 -4.77 119.36 114.91 1dbx n ILE 155 Ca 0.15 -0.85 -0.24 0.00 -0.27 0.00 0.00 62.75 61.54 1dbx n ILE 155 Cb 0.47 0.50 -0.09 0.00 -1.74 0.00 0.00 39.64 38.78 1dbx n ILE 155 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1dbx s VAL 156 N -0.96 2.67 0.64 7.28 -7.23 -1.26 -0.87 120.40 120.67 1dbx s VAL 156 Ca 0.06 -1.99 -0.15 0.00 -1.81 0.00 0.00 61.98 58.09 1dbx s VAL 156 Cb 0.05 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1dbx s VAL 156 CO 0.01 -0.22 1.09 -1.81 -0.31 0.00 0.00 175.10 173.86 1dbx s ASP 157 N -3.70 5.31 0.00 4.85 1.01 -1.26 -4.63 116.67 118.25 1dbx s ASP 157 Ca 0.34 1.93 0.29 0.00 0.71 0.00 0.00 52.55 55.82 1dbx s ASP 157 Cb -0.01 -2.54 1.73 0.00 1.01 0.00 0.00 42.92 43.11 1dbx s ASP 157 CO 0.19 -1.49 2.07 -0.62 0.21 0.00 0.00 175.17 175.53