#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cdb s GLU 2 N 0.00 2.35 -0.25 1.97 2.02 -1.26 -5.10 118.70 118.43 1cdb s GLU 2 Ca 0.00 -1.31 -0.13 0.00 0.02 0.00 0.00 54.97 53.56 1cdb s GLU 2 Cb 0.00 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 1cdb s GLU 2 CO 0.00 -0.61 0.26 0.42 0.02 0.00 0.00 175.26 175.35 1cdb s ILE 3 N 1.19 5.27 0.87 -1.63 1.01 -1.26 -5.09 121.20 121.57 1cdb s ILE 3 Ca -0.06 0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.82 1cdb s ILE 3 Cb -0.20 -3.59 0.11 0.00 0.01 0.00 0.00 42.46 38.79 1cdb s ILE 3 CO -0.03 0.25 1.15 -0.89 0.00 0.00 0.00 174.94 175.43 1cdb s THR 4 N 1.57 2.10 -0.59 2.92 2.01 -1.26 -5.04 115.64 117.35 1cdb s THR 4 Ca 0.11 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.19 1cdb s THR 4 Cb -0.15 -2.87 0.34 0.00 0.01 0.00 0.00 72.50 69.83 1cdb s THR 4 CO 0.08 -0.04 0.97 0.59 -0.69 0.00 0.00 174.62 175.53 1cdb n ASN 5 N -3.58 4.55 -3.68 3.53 4.13 -1.26 -5.03 115.26 113.93 1cdb n ASN 5 Ca 0.07 -3.68 -0.09 0.00 1.68 0.00 0.00 54.58 52.56 1cdb n ASN 5 Cb 0.60 -0.58 -0.09 0.00 -1.54 0.00 0.00 39.78 38.16 1cdb n ASN 5 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1cdb s ALA 6 N -3.47 -1.33 -0.18 5.41 0.00 -1.26 -2.74 121.76 118.19 1cdb s ALA 6 Ca 0.49 1.83 -0.01 0.00 0.00 0.00 0.00 51.96 54.27 1cdb s ALA 6 Cb 0.27 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1cdb s ALA 6 CO -0.14 -0.33 -0.14 -0.51 0.00 0.00 0.00 175.76 174.65 1cdb s LEU 7 N 1.54 2.48 -0.38 0.00 1.43 -0.93 -4.96 118.68 117.85 1cdb s LEU 7 Ca -0.09 -0.50 -0.27 0.00 -1.03 0.00 0.00 54.13 52.23 1cdb s LEU 7 Cb -0.07 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1cdb s LEU 7 CO -0.15 0.03 1.00 -1.61 0.23 0.00 0.00 176.35 175.85 1cdb s GLU 8 N 1.11 3.87 -0.33 1.70 8.01 -1.26 -1.95 118.70 129.85 1cdb s GLU 8 Ca 0.00 0.69 -0.00 0.00 0.01 0.00 0.00 54.97 55.67 1cdb s GLU 8 Cb -0.14 -3.81 0.07 0.00 -4.31 0.00 0.00 34.13 25.94 1cdb s GLU 8 CO -0.05 -1.02 0.04 0.99 0.01 0.00 0.00 175.26 175.24 1cdb s THR 9 N 3.69 2.81 0.00 3.63 2.01 -0.73 -4.99 115.64 122.07 1cdb s THR 9 Ca 0.42 -1.75 0.02 0.00 0.31 0.00 0.00 61.69 60.69 1cdb s THR 9 Cb -0.11 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1cdb s THR 9 CO 0.20 -0.32 -0.01 0.26 -0.69 0.00 0.00 174.62 174.06 1cdb s TRP 10 N 1.14 3.03 -0.29 4.92 0.52 -1.26 -2.01 118.94 124.99 1cdb s TRP 10 Ca 0.00 0.05 -0.16 0.00 0.02 0.00 0.00 56.10 56.02 1cdb s TRP 10 Cb -0.20 -1.65 0.14 0.00 -1.15 0.00 0.00 33.47 30.60 1cdb s TRP 10 CO -0.04 0.44 0.94 0.20 0.02 0.00 0.00 176.95 178.52 1cdb s GLY 11 N -1.54 -0.09 0.72 0.98 0.00 -1.18 -5.01 107.32 101.20 1cdb s GLY 11 Ca 0.19 3.05 -0.11 0.00 0.00 0.00 0.00 44.72 47.85 1cdb s GLY 11 CO 0.10 2.63 1.07 0.00 0.00 0.00 0.00 173.10 176.90 1cdb s ALA 12 N 1.48 2.54 -0.09 3.20 0.00 -1.26 -3.93 121.76 123.69 1cdb s ALA 12 Ca -0.09 0.16 -0.34 0.00 0.00 0.00 0.00 51.96 51.69 1cdb s ALA 12 Cb -0.04 -3.21 -0.12 0.00 0.00 0.00 0.00 23.12 19.75 1cdb s ALA 12 CO -0.16 -1.40 1.88 1.28 0.00 0.00 0.00 175.76 177.37 1cdb n LEU 13 N -3.22 3.43 -1.33 0.00 4.32 -1.26 -3.95 117.00 115.00 1cdb n LEU 13 Ca 0.08 0.97 0.00 0.00 -0.02 0.00 0.00 56.01 57.05 1cdb n LEU 13 Cb 0.53 -1.37 0.00 0.00 -1.62 0.00 0.00 43.42 40.97 1cdb n LEU 13 CO 0.55 -0.06 0.00 0.61 -1.22 0.00 0.00 177.39 177.27 1cdb n GLY 14 N 4.41 -0.32 3.45 -0.72 0.00 -1.04 -4.81 105.19 106.16 1cdb n GLY 14 Ca 0.23 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1cdb n GLY 14 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cdb s GLN 15 N -2.12 0.85 -0.13 1.61 -0.44 -1.25 -4.69 119.66 113.48 1cdb s GLN 15 Ca 0.00 0.37 -0.20 0.00 -2.50 0.00 0.00 55.36 53.03 1cdb s GLN 15 Cb 0.00 0.40 -0.04 0.00 -1.64 0.00 0.00 33.01 31.73 1cdb s GLN 15 CO 0.00 -0.21 0.57 -0.51 0.50 0.00 0.00 175.29 175.64 1cdb s ASP 16 N -0.67 6.74 -0.05 6.67 1.11 -1.26 -1.76 116.67 127.44 1cdb s ASP 16 Ca -0.08 0.89 -0.02 0.00 0.18 0.00 0.00 52.55 53.52 1cdb s ASP 16 Cb -0.03 -2.33 0.04 0.00 1.07 0.00 0.00 42.92 41.67 1cdb s ASP 16 CO 0.05 -0.11 0.11 -0.51 1.18 0.00 0.00 175.17 175.89 1cdb s ILE 17 N 1.08 -0.09 -0.08 0.77 2.07 -0.87 -4.98 121.20 119.10 1cdb s ILE 17 Ca 0.29 0.24 -0.01 0.00 -1.41 0.00 0.00 60.65 59.77 1cdb s ILE 17 Cb -0.16 -0.19 -0.03 0.00 0.13 0.00 0.00 42.46 42.21 1cdb s ILE 17 CO 0.12 0.10 -0.03 0.20 -1.91 0.00 0.00 174.94 173.42 1cdb s ASN 18 N 1.42 4.95 -1.21 4.50 0.01 -1.26 -1.39 114.94 121.96 1cdb s ASN 18 Ca -0.06 0.06 -0.08 0.00 -0.71 0.00 0.00 52.86 52.07 1cdb s ASN 18 Cb -0.12 -1.33 0.21 0.00 0.41 0.00 0.00 41.25 40.42 1cdb s ASN 18 CO -0.05 0.37 1.69 0.18 -1.51 0.00 0.00 177.10 177.78 1cdb n LEU 19 N 2.20 6.42 -3.85 0.60 7.99 -0.59 -4.88 117.00 124.89 1cdb n LEU 19 Ca -0.18 -4.82 -0.30 0.00 -0.01 0.00 0.00 56.01 50.70 1cdb n LEU 19 Cb 0.53 -1.43 -0.15 0.00 -0.11 0.00 0.00 43.42 42.27 1cdb n LEU 19 CO 0.28 1.42 -0.31 1.51 -1.51 0.00 0.00 177.39 178.77 1cdb s ASP 20 N 0.26 4.29 -0.18 -1.43 -4.77 -1.25 -2.66 116.67 110.93 1cdb s ASP 20 Ca 0.37 -2.04 -0.07 0.00 -3.30 0.00 0.00 52.55 47.52 1cdb s ASP 20 Cb 0.06 -1.23 -0.04 0.00 -1.09 0.00 0.00 42.92 40.63 1cdb s ASP 20 CO 0.03 -0.37 0.05 -0.51 0.70 0.00 0.00 175.17 175.07 1cdb s ILE 21 N 1.08 4.70 0.07 2.11 -1.16 -1.26 -5.09 121.20 121.65 1cdb s ILE 21 Ca 0.12 -0.07 -0.01 0.00 -0.51 0.00 0.00 60.65 60.18 1cdb s ILE 21 Cb -0.19 -3.11 0.02 0.00 0.61 0.00 0.00 42.46 39.79 1cdb s ILE 21 CO -0.14 0.47 0.09 -0.81 -2.81 0.00 0.00 174.94 171.74 1cdb n PRO 22 N 3.47 -0.35 -2.74 3.50 -0.04 -1.26 -4.85 135.00 132.73 1cdb n PRO 22 Ca -0.17 -0.14 -0.07 0.00 -0.04 0.00 0.00 63.50 63.09 1cdb n PRO 22 Cb 0.52 -0.10 0.03 0.00 -0.04 0.00 0.00 33.50 33.91 1cdb n PRO 22 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1cdb n SER 23 N -3.08 -5.78 -3.56 3.54 2.88 -1.26 -5.07 113.62 101.29 1cdb n SER 23 Ca 0.01 -0.34 -0.10 0.00 -1.33 0.00 0.00 58.87 57.12 1cdb n SER 23 Cb 0.04 -4.07 -0.10 0.00 -0.75 0.00 0.00 64.21 59.34 1cdb n SER 23 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1cdb s PHE 24 N -3.17 -0.74 -0.39 0.66 -0.12 -1.26 -5.14 117.98 107.82 1cdb s PHE 24 Ca 0.21 1.21 -0.25 0.00 -0.05 0.00 0.00 56.93 58.04 1cdb s PHE 24 Cb -0.03 0.16 0.02 0.00 -0.63 0.00 0.00 43.02 42.53 1cdb s PHE 24 CO 0.55 -0.54 0.90 -1.14 -0.05 0.00 0.00 175.22 174.95 1cdb s GLN 25 N 2.56 3.76 0.04 1.99 -0.44 -1.26 -5.02 119.66 121.29 1cdb s GLN 25 Ca 0.03 0.44 -0.09 0.00 -2.50 0.00 0.00 55.36 53.25 1cdb s GLN 25 Cb -0.13 -3.83 0.00 0.00 -1.64 0.00 0.00 33.01 27.41 1cdb s GLN 25 CO -0.13 -0.99 0.18 1.41 0.50 0.00 0.00 175.29 176.26 1cdb s MET 26 N 3.47 0.69 0.00 1.67 1.75 -1.26 -5.15 119.30 120.47 1cdb s MET 26 Ca 0.37 -0.67 0.00 0.00 -1.25 0.00 0.00 55.69 54.14 1cdb s MET 26 Cb -0.12 0.28 0.00 0.00 2.84 0.00 0.00 34.83 37.84 1cdb s MET 26 CO 0.20 -0.20 0.00 -1.13 -0.65 0.00 0.00 175.02 173.24 1cdb n SER 27 N 0.64 0.00 -2.75 1.11 3.41 -1.26 -5.02 113.62 109.75 1cdb n SER 27 Ca -0.19 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.40 1cdb n SER 27 Cb 0.59 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1cdb n SER 27 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1cdb s ASP 28 N -1.50 -0.82 -0.49 4.04 -4.77 -1.26 -5.08 116.67 106.79 1cdb s ASP 28 Ca 0.00 -0.88 0.06 0.00 -3.30 0.00 0.00 52.55 48.43 1cdb s ASP 28 Cb 0.00 1.07 0.18 0.00 -1.09 0.00 0.00 42.92 43.08 1cdb s ASP 28 CO 0.00 -0.04 0.64 -0.62 0.70 0.00 0.00 175.17 175.85 1cdb s ASP 29 N 1.09 -0.80 -0.05 2.11 -1.08 -1.26 -5.14 116.67 111.53 1cdb s ASP 29 Ca 0.25 -1.97 -0.02 0.00 -0.52 0.00 0.00 52.55 50.28 1cdb s ASP 29 Cb 0.06 1.39 0.04 0.00 -1.46 0.00 0.00 42.92 42.94 1cdb s ASP 29 CO -0.09 -0.08 0.10 -0.63 0.52 0.00 0.00 175.17 174.99 1cdb s ILE 30 N 0.76 -0.13 0.17 4.11 1.01 -1.26 -4.05 121.20 121.80 1cdb s ILE 30 Ca 0.30 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.26 1cdb s ILE 30 Cb 0.00 -0.20 0.00 0.00 0.01 0.00 0.00 42.46 42.28 1cdb s ILE 30 CO -0.08 0.13 0.00 -0.67 0.00 0.00 0.00 174.94 174.32 1cdb n ASP 31 N 4.86 0.46 -4.56 3.58 -0.08 -1.25 -4.80 116.55 114.76 1cdb n ASP 31 Ca -0.13 0.27 -0.42 0.00 -1.51 0.00 0.00 54.79 53.00 1cdb n ASP 31 Cb 0.50 0.01 -0.07 0.00 2.34 0.00 0.00 41.12 43.91 1cdb n ASP 31 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1cdb s ASP 32 N -5.42 6.41 -0.03 1.67 1.01 -0.60 -4.69 116.67 115.01 1cdb s ASP 32 Ca 0.00 0.05 0.06 0.00 0.71 0.00 0.00 52.55 53.37 1cdb s ASP 32 Cb 0.00 -2.33 -0.02 0.00 1.01 0.00 0.00 42.92 41.58 1cdb s ASP 32 CO 0.00 -0.64 -0.21 -0.63 0.21 0.00 0.00 175.17 173.90 1cdb s ILE 33 N 2.75 2.44 -0.08 0.77 1.09 -0.92 -1.70 121.20 125.55 1cdb s ILE 33 Ca 0.24 -0.96 -0.04 0.00 -1.10 0.00 0.00 60.65 58.80 1cdb s ILE 33 Cb -0.14 -1.89 0.04 0.00 -1.06 0.00 0.00 42.46 39.40 1cdb s ILE 33 CO 0.16 0.58 0.18 -0.75 -0.10 0.00 0.00 174.94 175.01 1cdb s LYS 34 N -0.64 0.14 -0.03 2.79 2.20 -0.96 -1.37 119.74 121.86 1cdb s LYS 34 Ca 0.10 0.41 0.01 0.00 -0.36 0.00 0.00 55.97 56.14 1cdb s LYS 34 Cb -0.10 -0.14 0.02 0.00 -1.51 0.00 0.00 37.83 36.09 1cdb s LYS 34 CO -0.00 -0.15 -0.04 -1.58 -0.36 0.00 0.00 175.35 173.21 1cdb s TRP 35 N 1.12 0.65 -0.01 4.03 0.52 -1.05 -1.53 118.94 122.66 1cdb s TRP 35 Ca -0.08 -0.15 -0.00 0.00 0.02 0.00 0.00 56.10 55.88 1cdb s TRP 35 Cb -0.10 -0.55 0.02 0.00 -1.15 0.00 0.00 33.47 31.68 1cdb s TRP 35 CO -0.06 -0.13 0.03 -1.21 0.02 0.00 0.00 176.95 175.59 1cdb s GLU 36 N 0.63 -0.01 -0.04 4.98 0.41 -0.87 -2.33 118.70 121.47 1cdb s GLU 36 Ca -0.08 0.11 -0.30 0.00 -0.41 0.00 0.00 54.97 54.29 1cdb s GLU 36 Cb -0.11 -0.12 -0.03 0.00 -1.78 0.00 0.00 34.13 32.08 1cdb s GLU 36 CO -0.00 -0.09 1.20 0.21 -0.49 0.00 0.00 175.26 176.09 1cdb s LYS 37 N 0.56 4.36 -0.98 1.61 2.20 -1.26 -0.94 119.74 125.29 1cdb s LYS 37 Ca -0.05 1.68 -0.04 0.00 -0.36 0.00 0.00 55.97 57.20 1cdb s LYS 37 Cb -0.07 -3.54 0.25 0.00 -1.51 0.00 0.00 37.83 32.96 1cdb s LYS 37 CO -0.02 -0.42 0.95 0.25 -0.36 0.00 0.00 175.35 175.74 1cdb n THR 38 N 4.54 3.68 0.15 3.43 -2.24 -1.06 -1.48 114.28 121.31 1cdb n THR 38 Ca 0.11 -5.27 0.00 0.00 -2.27 0.00 0.00 64.05 56.62 1cdb n THR 38 Cb 0.46 -2.42 0.00 0.00 -2.10 0.00 0.00 70.33 66.27 1cdb n THR 38 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1cdb n SER 39 N 2.30 -2.75 -3.20 3.42 3.41 -1.26 -4.75 113.62 110.79 1cdb n SER 39 Ca 0.23 0.64 -0.22 0.00 -0.26 0.00 0.00 58.87 59.26 1cdb n SER 39 Cb 0.37 2.71 -0.06 0.00 -0.26 0.00 0.00 64.21 66.98 1cdb n SER 39 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1cdb n ASP 40 N -3.15 0.74 -0.75 4.04 2.03 -1.26 -5.08 116.55 113.12 1cdb n ASP 40 Ca 0.00 -2.87 0.00 0.00 0.52 0.00 0.00 54.79 52.44 1cdb n ASP 40 Cb 0.00 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 1cdb n ASP 40 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1cdb n LYS 41 N 0.96 0.00 0.00 -0.67 3.00 -1.25 -4.91 118.16 115.28 1cdb n LYS 41 Ca 0.23 0.29 0.00 0.00 -0.00 0.00 0.00 58.31 58.83 1cdb n LYS 41 Cb 0.56 -0.46 0.00 0.00 0.00 0.00 0.00 35.03 35.13 1cdb n LYS 41 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1cdb n LYS 42 N 0.75 0.00 -2.81 1.64 2.85 -0.55 -4.47 118.16 115.57 1cdb n LYS 42 Ca 0.00 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.29 1cdb n LYS 42 Cb 0.00 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.39 1cdb n LYS 42 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1cdb s LYS 43 N 0.00 0.02 0.00 -1.58 2.20 -1.26 -4.76 119.74 114.37 1cdb s LYS 43 Ca 0.00 -0.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1cdb s LYS 43 Cb 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 1cdb s LYS 43 CO 0.00 -0.04 0.00 -0.89 -0.36 0.00 0.00 175.35 174.06 1cdb n ILE 44 N 3.95 0.00 -3.63 5.43 2.08 -0.99 -4.64 119.36 121.57 1cdb n ILE 44 Ca 0.06 0.19 -0.05 0.00 0.56 0.00 0.00 62.75 63.50 1cdb n ILE 44 Cb 0.63 -0.71 -0.02 0.00 -0.75 0.00 0.00 39.64 38.79 1cdb n ILE 44 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1cdb s ALA 45 N -3.78 -1.78 -0.13 -1.39 0.00 -1.04 -4.64 121.76 109.01 1cdb s ALA 45 Ca 0.00 0.60 -0.21 0.00 0.00 0.00 0.00 51.96 52.35 1cdb s ALA 45 Cb 0.00 0.50 0.05 0.00 0.00 0.00 0.00 23.12 23.67 1cdb s ALA 45 CO 0.00 -0.87 0.52 -1.14 0.00 0.00 0.00 175.76 174.27 1cdb s GLN 46 N -3.13 0.74 -0.08 0.00 -0.44 -1.08 -2.54 119.66 113.12 1cdb s GLN 46 Ca 0.09 0.44 -0.01 0.00 -2.50 0.00 0.00 55.36 53.38 1cdb s GLN 46 Cb -0.01 0.35 -0.03 0.00 -1.64 0.00 0.00 33.01 31.68 1cdb s GLN 46 CO -0.03 -0.16 -0.01 -0.06 0.50 0.00 0.00 175.29 175.53 1cdb s PHE 47 N -0.39 3.12 0.16 1.67 0.40 -0.47 -2.61 117.98 119.85 1cdb s PHE 47 Ca -0.05 0.16 -0.15 0.00 -0.60 0.00 0.00 56.93 56.29 1cdb s PHE 47 Cb -0.03 -1.77 0.02 0.00 0.51 0.00 0.00 43.02 41.75 1cdb s PHE 47 CO 0.04 0.44 0.42 -0.98 0.70 0.00 0.00 175.22 175.83 1cdb s ARG 48 N -0.86 1.20 -0.94 0.44 1.70 -1.20 -2.18 118.95 117.11 1cdb s ARG 48 Ca 0.13 -0.87 -0.12 0.00 -0.47 0.00 0.00 55.73 54.40 1cdb s ARG 48 Cb -0.11 0.47 0.24 0.00 -0.57 0.00 0.00 34.95 34.98 1cdb s ARG 48 CO 0.02 -0.48 0.91 0.21 -1.08 0.00 0.00 175.30 174.88 1cdb s LYS 49 N -3.87 3.85 -0.41 3.89 2.20 -1.26 -4.36 119.74 119.78 1cdb s LYS 49 Ca 0.08 -2.77 -0.01 0.00 -0.36 0.00 0.00 55.97 52.91 1cdb s LYS 49 Cb 0.01 -4.48 0.22 0.00 -1.51 0.00 0.00 37.83 32.07 1cdb s LYS 49 CO -0.06 -1.27 0.98 -1.91 -0.36 0.00 0.00 175.35 172.73 1cdb n GLU 50 N 3.45 0.31 0.00 4.03 4.07 -1.26 -5.02 120.64 126.23 1cdb n GLU 50 Ca 0.18 -1.26 0.00 0.00 -0.06 0.00 0.00 57.16 56.02 1cdb n GLU 50 Cb 0.44 -0.58 0.00 0.00 -0.06 0.00 0.00 31.44 31.24 1cdb n GLU 50 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1cdb n LYS 51 N 2.46 0.00 -3.20 5.31 2.85 -1.26 -4.93 118.16 119.38 1cdb n LYS 51 Ca 0.12 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.42 1cdb n LYS 51 Cb 0.63 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.99 1cdb n LYS 51 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1cdb s GLU 52 N 0.00 0.25 -0.16 -1.58 2.56 -1.26 -5.14 118.70 113.36 1cdb s GLU 52 Ca 0.00 0.48 -0.04 0.00 0.00 0.00 0.00 54.97 55.41 1cdb s GLU 52 Cb 0.00 0.27 0.07 0.00 2.00 0.00 0.00 34.13 36.47 1cdb s GLU 52 CO 0.00 -0.22 0.13 0.99 -0.56 0.00 0.00 175.26 175.60 1cdb s THR 53 N 2.81 -0.17 -0.19 -1.70 2.01 -1.26 -3.21 115.64 113.92 1cdb s THR 53 Ca 0.01 -0.06 -0.04 0.00 0.31 0.00 0.00 61.69 61.91 1cdb s THR 53 Cb -0.10 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 1cdb s THR 53 CO -0.14 -0.19 -0.02 0.72 -0.69 0.00 0.00 174.62 174.31 1cdb s PHE 54 N 2.20 3.01 -0.10 4.92 -0.12 -1.07 -5.05 117.98 121.77 1cdb s PHE 54 Ca 0.04 -0.51 -0.08 0.00 -0.05 0.00 0.00 56.93 56.32 1cdb s PHE 54 Cb -0.15 -2.06 0.03 0.00 -0.63 0.00 0.00 43.02 40.21 1cdb s PHE 54 CO -0.09 -0.25 0.27 0.21 -0.05 0.00 0.00 175.22 175.30 1cdb s LYS 55 N 0.95 0.29 -0.07 1.99 2.47 -1.26 -2.62 119.74 121.48 1cdb s LYS 55 Ca 0.01 0.42 0.02 0.00 -1.56 0.00 0.00 55.97 54.86 1cdb s LYS 55 Cb -0.14 0.09 0.01 0.00 -1.46 0.00 0.00 37.83 36.33 1cdb s LYS 55 CO 0.01 -0.07 -0.13 -1.21 0.16 0.00 0.00 175.35 174.12 1cdb s GLU 56 N 0.41 1.74 0.01 4.03 2.02 -1.26 -5.13 118.70 120.52 1cdb s GLU 56 Ca -0.02 -0.43 0.04 0.00 0.02 0.00 0.00 54.97 54.58 1cdb s GLU 56 Cb -0.04 -1.44 -0.03 0.00 0.10 0.00 0.00 34.13 32.72 1cdb s GLU 56 CO -0.02 0.02 -0.09 0.15 0.02 0.00 0.00 175.26 175.35 1cdb s LYS 57 N 0.68 2.46 0.00 1.61 1.02 -1.26 -4.94 119.74 119.31 1cdb s LYS 57 Ca -0.14 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.08 1cdb s LYS 57 Cb -0.16 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.71 1cdb s LYS 57 CO 0.04 0.59 0.00 -0.25 -0.92 0.00 0.00 175.35 174.81 1cdb n ASP 58 N 1.57 0.00 -1.78 2.83 9.92 -1.26 -4.77 116.55 123.06 1cdb n ASP 58 Ca -0.16 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 53.98 1cdb n ASP 58 Cb 0.52 0.00 0.16 0.00 -0.64 0.00 0.00 41.12 41.17 1cdb n ASP 58 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1cdb n THR 59 N 0.00 2.42 -5.23 -3.53 -2.24 -1.26 -5.06 114.28 99.38 1cdb n THR 59 Ca 0.00 -1.27 -0.31 0.00 -2.27 0.00 0.00 64.05 60.20 1cdb n THR 59 Cb 0.00 -0.57 -0.16 0.00 -2.10 0.00 0.00 70.33 67.51 1cdb n THR 59 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1cdb s TYR 60 N -2.30 2.33 -0.20 4.78 -0.85 -1.26 -2.26 117.35 117.58 1cdb s TYR 60 Ca 0.40 -0.43 -0.08 0.00 -0.52 0.00 0.00 57.07 56.44 1cdb s TYR 60 Cb 0.33 -1.48 0.09 0.00 0.38 0.00 0.00 41.96 41.27 1cdb s TYR 60 CO 0.08 -0.01 0.45 0.21 -1.52 0.00 0.00 175.55 174.77 1cdb s LYS 61 N -0.73 0.37 -0.64 -3.49 2.20 -0.67 -4.49 119.74 112.30 1cdb s LYS 61 Ca 0.10 1.03 0.03 0.00 -0.36 0.00 0.00 55.97 56.78 1cdb s LYS 61 Cb -0.10 0.30 0.16 0.00 -1.51 0.00 0.00 37.83 36.68 1cdb s LYS 61 CO -0.00 -0.22 0.42 -1.17 -0.36 0.00 0.00 175.35 174.02 1cdb s LEU 62 N 2.35 4.73 0.72 5.43 2.96 -1.26 -1.62 118.68 132.00 1cdb s LEU 62 Ca -0.04 -3.44 -0.14 0.00 -0.22 0.00 0.00 54.13 50.29 1cdb s LEU 62 Cb -0.11 -1.68 0.03 0.00 0.50 0.00 0.00 46.19 44.93 1cdb s LEU 62 CO -0.14 -0.17 1.15 0.12 -1.32 0.00 0.00 176.35 175.99 1cdb s PHE 63 N -0.88 2.28 0.24 5.38 5.36 -0.01 -4.87 117.98 125.48 1cdb s PHE 63 Ca 0.21 1.59 -0.04 0.00 -0.96 0.00 0.00 56.93 57.74 1cdb s PHE 63 Cb -0.14 -3.31 0.26 0.00 -0.34 0.00 0.00 43.02 39.49 1cdb s PHE 63 CO -0.09 -2.19 1.72 1.57 -1.46 0.00 0.00 175.22 174.77 1cdb h LYS 64 N -0.35 0.85 -0.69 10.12 2.10 -1.90 -3.19 116.57 123.51 1cdb h LYS 64 Ca -0.47 -0.25 0.02 0.00 -2.00 0.00 0.00 60.65 57.95 1cdb h LYS 64 Cb 1.27 -0.09 -0.04 0.00 -0.90 0.00 0.00 32.23 32.47 1cdb h LYS 64 CO 0.51 0.87 0.44 -0.97 -2.00 0.00 0.00 179.45 178.30 1cdb h ASN 65 N 0.79 0.75 0.00 7.07 -0.73 -1.91 -3.40 115.58 118.14 1cdb h ASN 65 Ca 0.15 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.31 1cdb h ASN 65 Cb 0.50 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.92 1cdb h ASN 65 CO 0.03 0.53 0.00 0.61 -0.37 0.00 0.00 177.43 178.22 1cdb n GLY 66 N -1.29 -0.52 2.76 1.57 0.00 -1.21 -5.01 105.19 101.49 1cdb n GLY 66 Ca 0.07 0.18 -0.17 0.00 0.00 0.00 0.00 46.02 46.09 1cdb n GLY 66 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1cdb s THR 67 N 0.00 -0.41 -1.01 2.61 2.01 -1.21 -3.97 115.64 113.66 1cdb s THR 67 Ca 0.00 -0.50 -0.15 0.00 0.31 0.00 0.00 61.69 61.36 1cdb s THR 67 Cb 0.00 -0.98 0.19 0.00 0.01 0.00 0.00 72.50 71.72 1cdb s THR 67 CO 0.00 -0.47 1.13 -0.22 -0.69 0.00 0.00 174.62 174.37 1cdb s LEU 68 N 2.35 5.67 0.32 4.42 0.20 -1.09 -0.83 118.68 129.72 1cdb s LEU 68 Ca 0.10 -2.72 -0.29 0.00 0.69 0.00 0.00 54.13 51.91 1cdb s LEU 68 Cb -0.14 -2.32 -0.11 0.00 -0.43 0.00 0.00 46.19 43.19 1cdb s LEU 68 CO -0.32 -0.73 1.47 -0.54 -0.29 0.00 0.00 176.35 175.93 1cdb s LYS 69 N 1.12 4.20 -0.19 1.98 1.02 -0.64 -1.54 119.74 125.68 1cdb s LYS 69 Ca 0.32 2.44 -0.03 0.00 0.02 0.00 0.00 55.97 58.72 1cdb s LYS 69 Cb -0.06 -3.03 0.06 0.00 -0.52 0.00 0.00 37.83 34.27 1cdb s LYS 69 CO -0.07 -0.46 0.05 0.42 -0.92 0.00 0.00 175.35 174.37 1cdb s ILE 70 N -0.61 0.42 -0.92 2.17 1.01 -0.49 -1.67 121.20 121.11 1cdb s ILE 70 Ca 0.56 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.69 1cdb s ILE 70 Cb -0.44 -0.96 0.24 0.00 0.01 0.00 0.00 42.46 41.31 1cdb s ILE 70 CO 0.53 -0.23 0.90 0.29 0.00 0.00 0.00 174.94 176.43 1cdb n LYS 71 N 5.09 2.94 0.00 2.79 5.02 -0.96 -2.05 118.16 130.98 1cdb n LYS 71 Ca -0.09 -4.51 0.00 0.00 -2.02 0.00 0.00 58.31 51.70 1cdb n LYS 71 Cb 0.47 -2.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 1cdb n LYS 71 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1cdb n HIS 72 N 2.09 0.00 -3.63 2.13 -0.00 -1.18 -4.75 115.22 109.88 1cdb n HIS 72 Ca 0.23 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.63 1cdb n HIS 72 Cb 0.37 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.28 1cdb n HIS 72 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 1cdb n LEU 73 N 0.00 3.93 -4.79 0.27 -0.00 -0.73 -4.68 117.00 111.00 1cdb n LEU 73 Ca 0.00 -5.23 -0.30 0.00 -0.00 0.00 0.00 56.01 50.48 1cdb n LEU 73 Cb 0.00 -0.92 0.20 0.00 -0.00 0.00 0.00 43.42 42.70 1cdb n LEU 73 CO 0.00 1.73 0.77 -0.54 -0.00 0.00 0.00 177.39 179.35 1cdb s LYS 74 N -1.73 -0.08 0.08 1.47 1.02 -1.26 -2.51 119.74 116.73 1cdb s LYS 74 Ca 0.29 -0.24 -0.24 0.00 0.02 0.00 0.00 55.97 55.81 1cdb s LYS 74 Cb -0.01 -1.75 -0.16 0.00 -0.52 0.00 0.00 37.83 35.40 1cdb s LYS 74 CO -0.10 -2.92 1.70 1.15 -0.92 0.00 0.00 175.35 174.25 1cdb h THR 75 N -2.01 0.97 0.00 2.17 2.02 -1.96 -2.75 112.91 111.35 1cdb h THR 75 Ca -0.45 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 1cdb h THR 75 Cb 1.26 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1cdb h THR 75 CO 0.38 0.02 -0.02 0.44 0.37 0.00 0.00 175.52 176.71 1cdb h ASP 76 N -0.11 0.00 0.63 4.18 3.32 -2.00 -3.09 116.42 119.34 1cdb h ASP 76 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1cdb h ASP 76 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1cdb h ASP 76 CO 0.01 0.02 0.00 0.44 -1.72 0.00 0.00 179.24 177.99 1cdb h ASP 77 N 0.00 0.00 -4.52 6.45 3.32 -1.81 -3.48 116.42 116.38 1cdb h ASP 77 Ca -0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 1cdb h ASP 77 Cb 0.60 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.00 1cdb h ASP 77 CO 0.00 0.00 -0.64 0.00 -1.72 0.00 0.00 179.24 176.89 1cdb s GLN 78 N -3.55 1.27 0.21 3.56 1.03 -1.17 -4.90 119.66 116.10 1cdb s GLN 78 Ca 0.01 -1.66 -0.16 0.00 0.04 0.00 0.00 55.36 53.60 1cdb s GLN 78 Cb 0.09 -0.26 0.02 0.00 0.03 0.00 0.00 33.01 32.89 1cdb s GLN 78 CO 0.41 -0.22 0.50 0.34 -2.54 0.00 0.00 175.29 173.78 1cdb s ASP 79 N -3.25 -0.19 0.07 12.60 -1.08 -1.26 -4.98 116.67 118.57 1cdb s ASP 79 Ca 0.31 -0.61 -0.30 0.00 -0.52 0.00 0.00 52.55 51.44 1cdb s ASP 79 Cb 0.07 0.57 -0.05 0.00 -1.46 0.00 0.00 42.92 42.06 1cdb s ASP 79 CO 0.09 -1.07 0.95 -0.63 0.52 0.00 0.00 175.17 175.03 1cdb s ILE 80 N -3.91 4.65 0.43 4.11 1.01 -1.26 -2.17 121.20 124.05 1cdb s ILE 80 Ca 0.12 2.03 0.04 0.00 0.00 0.00 0.00 60.65 62.85 1cdb s ILE 80 Cb -0.01 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 1cdb s ILE 80 CO 0.00 0.27 0.03 -0.31 0.00 0.00 0.00 174.94 174.93 1cdb s TYR 81 N 0.35 2.16 -0.23 3.97 2.02 -0.90 -2.56 117.35 122.16 1cdb s TYR 81 Ca 0.48 -0.86 -0.20 0.00 -0.37 0.00 0.00 57.07 56.12 1cdb s TYR 81 Cb -0.22 -1.59 0.06 0.00 -0.40 0.00 0.00 41.96 39.81 1cdb s TYR 81 CO 0.29 0.24 0.60 -1.59 -1.57 0.00 0.00 175.55 173.52 1cdb s LYS 82 N -3.79 0.69 0.06 -0.62 -2.85 -0.11 -2.31 119.74 110.80 1cdb s LYS 82 Ca 0.25 0.88 -0.05 0.00 -1.00 0.00 0.00 55.97 56.05 1cdb s LYS 82 Cb 0.07 0.30 -0.05 0.00 -2.06 0.00 0.00 37.83 36.09 1cdb s LYS 82 CO 0.13 -0.10 0.29 0.54 0.10 0.00 0.00 175.35 176.32 1cdb s VAL 83 N 0.53 5.27 0.01 1.79 0.11 -0.71 -2.05 120.40 125.35 1cdb s VAL 83 Ca -0.02 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.12 1cdb s VAL 83 Cb -0.05 -3.60 -0.01 0.00 -1.53 0.00 0.00 36.38 31.20 1cdb s VAL 83 CO -0.02 0.24 -0.11 -0.44 -3.33 0.00 0.00 175.10 171.44 1cdb s SER 84 N -2.04 1.24 -0.20 3.54 0.01 -0.58 -2.57 113.70 113.10 1cdb s SER 84 Ca 0.33 -0.29 -0.05 0.00 1.31 0.00 0.00 55.95 57.25 1cdb s SER 84 Cb -0.13 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 1cdb s SER 84 CO 0.20 0.06 -0.01 -0.63 0.41 0.00 0.00 173.24 173.28 1cdb s ILE 85 N -0.51 3.86 -0.04 1.44 1.09 -1.01 -2.27 121.20 123.77 1cdb s ILE 85 Ca 0.02 -0.35 0.07 0.00 -1.10 0.00 0.00 60.65 59.29 1cdb s ILE 85 Cb -0.05 -2.74 -0.02 0.00 -1.06 0.00 0.00 42.46 38.59 1cdb s ILE 85 CO 0.00 0.44 -0.24 -0.31 -0.10 0.00 0.00 174.94 174.73 1cdb s TYR 86 N 0.97 2.42 0.63 3.97 2.02 -0.69 -1.76 117.35 124.91 1cdb s TYR 86 Ca 0.01 -0.49 -0.11 0.00 -0.37 0.00 0.00 57.07 56.11 1cdb s TYR 86 Cb -0.14 -1.55 0.16 0.00 -0.40 0.00 0.00 41.96 40.02 1cdb s TYR 86 CO 0.01 -0.07 0.51 -0.25 -1.57 0.00 0.00 175.55 174.19 1cdb n ASP 87 N 2.59 -1.91 -0.34 2.29 8.00 -1.23 -1.56 116.55 124.40 1cdb n ASP 87 Ca -0.17 -0.73 0.11 0.00 0.71 0.00 0.00 54.79 54.71 1cdb n ASP 87 Cb 0.51 -0.49 0.29 0.00 -0.02 0.00 0.00 41.12 41.41 1cdb n ASP 87 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1cdb h THR 88 N -2.27 0.72 -0.78 -3.53 1.35 -1.87 -2.56 112.91 103.96 1cdb h THR 88 Ca -0.20 -0.25 -0.03 0.00 -0.55 0.00 0.00 66.41 65.38 1cdb h THR 88 Cb 0.63 -0.07 -0.04 0.00 -1.73 0.00 0.00 68.15 66.93 1cdb h THR 88 CO 0.13 0.13 0.36 0.11 -0.25 0.00 0.00 175.52 176.00 1cdb h LYS 89 N 0.73 1.13 -1.23 4.72 6.56 -1.92 -3.49 116.57 123.06 1cdb h LYS 89 Ca 0.54 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 59.96 1cdb h LYS 89 Cb 0.81 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 1cdb h LYS 89 CO -0.38 0.88 0.00 0.41 -2.06 0.00 0.00 179.45 178.30 1cdb n GLY 90 N -1.02 0.84 2.89 3.86 0.00 -0.96 -5.14 105.19 105.66 1cdb n GLY 90 Ca 0.08 -0.59 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 1cdb n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cdb s LYS 91 N -2.41 0.03 0.06 1.61 1.02 -1.26 -4.92 119.74 113.87 1cdb s LYS 91 Ca 0.00 0.08 -0.31 0.00 0.02 0.00 0.00 55.97 55.76 1cdb s LYS 91 Cb 0.00 -0.02 -0.07 0.00 -0.52 0.00 0.00 37.83 37.22 1cdb s LYS 91 CO 0.00 -0.03 1.46 1.21 -0.92 0.00 0.00 175.35 177.07 1cdb s ASN 92 N 0.19 6.78 -0.05 2.83 3.84 -1.26 -3.57 114.94 123.69 1cdb s ASN 92 Ca -0.01 2.28 -0.05 0.00 0.21 0.00 0.00 52.86 55.28 1cdb s ASN 92 Cb -0.02 -2.57 -0.02 0.00 -0.55 0.00 0.00 41.25 38.09 1cdb s ASN 92 CO -0.01 -0.74 -0.10 0.52 -2.79 0.00 0.00 177.10 173.98 1cdb n VAL 93 N 4.43 0.46 -4.18 -5.21 0.31 -0.72 -5.03 118.33 108.40 1cdb n VAL 93 Ca 0.13 0.37 -0.12 0.00 -0.01 0.00 0.00 64.34 64.71 1cdb n VAL 93 Cb 0.42 -1.72 -0.10 0.00 -0.91 0.00 0.00 33.84 31.53 1cdb n VAL 93 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1cdb s LEU 94 N -5.89 2.49 -0.09 7.52 0.05 -1.26 -5.06 118.68 116.44 1cdb s LEU 94 Ca -0.08 -0.96 -0.06 0.00 0.05 0.00 0.00 54.13 53.07 1cdb s LEU 94 Cb 0.01 -0.14 0.04 0.00 -2.05 0.00 0.00 46.19 44.05 1cdb s LEU 94 CO 0.12 -0.41 0.23 -1.83 -0.55 0.00 0.00 176.35 173.91 1cdb s GLU 95 N -3.60 0.21 0.41 1.48 -1.05 -1.26 -2.39 118.70 112.49 1cdb s GLU 95 Ca 0.11 0.44 0.04 0.00 -0.15 0.00 0.00 54.97 55.41 1cdb s GLU 95 Cb 0.03 -0.04 -0.04 0.00 -0.44 0.00 0.00 34.13 33.64 1cdb s GLU 95 CO -0.03 -0.12 0.07 0.15 0.95 0.00 0.00 175.26 176.28 1cdb s LYS 96 N 0.88 1.91 0.03 -4.83 -0.14 -1.06 -5.02 119.74 111.50 1cdb s LYS 96 Ca -0.06 -2.14 0.04 0.00 -1.36 0.00 0.00 55.97 52.45 1cdb s LYS 96 Cb -0.08 -0.99 -0.02 0.00 -1.68 0.00 0.00 37.83 35.06 1cdb s LYS 96 CO -0.05 -0.32 -0.12 0.42 -0.76 0.00 0.00 175.35 174.52 1cdb s ILE 97 N -3.11 0.92 0.11 2.17 1.01 -1.11 -1.73 121.20 119.45 1cdb s ILE 97 Ca 0.25 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.95 1cdb s ILE 97 Cb 0.05 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.68 1cdb s ILE 97 CO 0.13 -0.01 0.23 -0.36 0.00 0.00 0.00 174.94 174.92 1cdb s PHE 98 N -0.77 0.18 -0.32 3.97 0.08 -0.98 -2.20 117.98 117.94 1cdb s PHE 98 Ca 0.00 -0.58 0.03 0.00 0.12 0.00 0.00 56.93 56.50 1cdb s PHE 98 Cb -0.07 -0.03 0.16 0.00 -0.57 0.00 0.00 43.02 42.51 1cdb s PHE 98 CO 0.01 -0.59 0.44 -0.51 -0.10 0.00 0.00 175.22 174.46 1cdb s ASP 99 N -2.88 0.22 -0.20 1.36 1.11 -0.82 -2.11 116.67 113.34 1cdb s ASP 99 Ca 0.07 -0.64 -0.29 0.00 0.18 0.00 0.00 52.55 51.87 1cdb s ASP 99 Cb 0.04 1.14 -0.00 0.00 1.07 0.00 0.00 42.92 45.17 1cdb s ASP 99 CO -0.09 -0.31 1.18 -0.76 1.18 0.00 0.00 175.17 176.37 1cdb s LEU 100 N 2.26 4.13 0.02 1.23 1.02 -0.92 -1.78 118.68 124.64 1cdb s LEU 100 Ca 0.12 1.54 0.05 0.00 0.02 0.00 0.00 54.13 55.86 1cdb s LEU 100 Cb -0.12 -3.54 -0.02 0.00 0.02 0.00 0.00 46.19 42.54 1cdb s LEU 100 CO -0.22 -0.75 -0.14 -0.54 0.02 0.00 0.00 176.35 174.71 1cdb s LYS 101 N 3.44 1.04 -0.08 1.70 1.02 -0.85 -4.17 119.74 121.83 1cdb s LYS 101 Ca 0.51 -0.66 -0.17 0.00 0.02 0.00 0.00 55.97 55.67 1cdb s LYS 101 Cb -0.19 -1.04 -0.05 0.00 -0.52 0.00 0.00 37.83 36.04 1cdb s LYS 101 CO 0.12 0.27 0.44 0.42 -0.92 0.00 0.00 175.35 175.68 1cdb s ILE 102 N -0.63 5.14 0.51 2.17 -1.09 -1.26 -3.12 121.20 122.92 1cdb s ILE 102 Ca 0.03 0.89 -0.23 0.00 -2.23 0.00 0.00 60.65 59.12 1cdb s ILE 102 Cb -0.07 -3.78 -0.06 0.00 -1.58 0.00 0.00 42.46 36.98 1cdb s ILE 102 CO 0.01 0.41 1.36 -1.10 -1.23 0.00 0.00 174.94 174.38 1cdb s GLN 103 N 0.11 3.33 -0.35 2.79 -0.21 -1.25 -4.99 119.66 119.08 1cdb s GLN 103 Ca 0.24 2.25 0.00 0.00 0.02 0.00 0.00 55.36 57.88 1cdb s GLN 103 Cb -0.15 -2.38 0.11 0.00 1.00 0.00 0.00 33.01 31.59 1cdb s GLN 103 CO 0.11 -1.04 0.15 -2.00 -2.12 0.00 0.00 175.29 170.39 1cdb s GLU 104 N -2.76 0.88 0.00 2.91 2.12 -1.26 -5.02 118.70 115.56 1cdb s GLU 104 Ca 0.68 -1.39 0.21 0.00 0.36 0.00 0.00 54.97 54.84 1cdb s GLU 104 Cb -0.40 -2.04 1.28 0.00 0.26 0.00 0.00 34.13 33.22 1cdb s GLU 104 CO 0.49 -1.06 1.66 -2.13 -0.54 0.00 0.00 175.26 173.68