#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 4.20 -0.38 1.64 1.03 -1.26 -5.01 118.70 118.92 1cdb s GLU 2 Ca 0.00 0.47 0.01 0.00 0.03 0.00 0.00 54.97 55.48 1cdb s GLU 2 Cb 0.00 -3.35 0.42 0.00 -0.80 0.00 0.00 34.13 30.40 1cdb s GLU 2 CO 0.00 0.37 1.80 1.51 -1.33 0.00 0.00 175.26 177.61 1cdb n ILE 3 N 2.89 2.81 -3.93 1.83 3.06 -1.26 -4.96 119.36 119.80 1cdb n ILE 3 Ca -0.09 -1.70 -0.33 0.00 -2.50 0.00 0.00 62.75 58.12 1cdb n ILE 3 Cb 0.52 -0.86 -0.05 0.00 0.54 0.00 0.00 39.64 39.78 1cdb n ILE 3 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1cdb s THR 4 N -2.78 5.35 -0.29 9.51 -4.23 -1.26 -5.06 115.64 116.89 1cdb s THR 4 Ca 0.43 -0.21 0.20 0.00 -1.18 0.00 0.00 61.69 60.93 1cdb s THR 4 Cb 0.35 -3.51 0.48 0.00 1.34 0.00 0.00 72.50 71.17 1cdb s THR 4 CO 0.05 0.31 1.19 0.59 -0.54 0.00 0.00 174.62 176.22 1cdb n ASN 5 N 0.92 0.84 0.00 3.99 3.02 -1.26 -4.98 115.26 117.79 1cdb n ASN 5 Ca -0.11 -2.14 0.00 0.00 -0.03 0.00 0.00 54.58 52.30 1cdb n ASN 5 Cb 0.52 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 1cdb n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cdb n ALA 6 N -0.74 0.00 -2.77 5.41 0.00 -1.26 -4.75 120.51 116.41 1cdb n ALA 6 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.11 1cdb n ALA 6 Cb 0.82 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.18 1cdb n ALA 6 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1cdb s LEU 7 N 0.00 4.04 -0.10 0.00 2.96 -0.29 -4.91 118.68 120.38 1cdb s LEU 7 Ca 0.00 0.16 -0.30 0.00 -0.22 0.00 0.00 54.13 53.78 1cdb s LEU 7 Cb 0.00 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 1cdb s LEU 7 CO 0.00 0.17 1.40 -1.61 -1.32 0.00 0.00 176.35 174.99 1cdb s GLU 8 N 0.39 4.23 -0.18 1.98 2.02 -1.26 -2.52 118.70 123.36 1cdb s GLU 8 Ca 0.06 1.87 -0.03 0.00 0.02 0.00 0.00 54.97 56.89 1cdb s GLU 8 Cb -0.12 -3.79 0.06 0.00 0.10 0.00 0.00 34.13 30.38 1cdb s GLU 8 CO -0.01 -0.72 0.04 0.99 0.02 0.00 0.00 175.26 175.58 1cdb s THR 9 N 3.43 0.44 0.13 3.63 2.01 -1.19 -5.00 115.64 119.09 1cdb s THR 9 Ca 0.62 -0.45 0.07 0.00 0.31 0.00 0.00 61.69 62.24 1cdb s THR 9 Cb -0.27 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1cdb s THR 9 CO 0.21 -0.17 -0.03 0.26 -0.69 0.00 0.00 174.62 174.20 1cdb s TRP 10 N 1.90 2.85 0.00 4.92 0.52 -1.26 -1.47 118.94 126.40 1cdb s TRP 10 Ca -0.00 -0.11 0.00 0.00 0.02 0.00 0.00 56.10 56.01 1cdb s TRP 10 Cb -0.16 -1.44 0.00 0.00 -1.15 0.00 0.00 33.47 30.72 1cdb s TRP 10 CO -0.08 0.48 0.00 0.41 0.02 0.00 0.00 176.95 177.78 1cdb n GLY 11 N 0.34 3.11 3.25 0.98 0.00 -0.99 -4.99 105.19 106.90 1cdb n GLY 11 Ca -0.11 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 1cdb n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cdb s ALA 12 N -1.02 0.43 -0.03 4.61 0.00 -1.26 -2.03 121.76 122.47 1cdb s ALA 12 Ca 0.00 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 1cdb s ALA 12 Cb 0.00 0.89 -0.04 0.00 0.00 0.00 0.00 23.12 23.97 1cdb s ALA 12 CO 0.00 -0.58 1.22 -0.51 0.00 0.00 0.00 175.76 175.89 1cdb s LEU 13 N -3.01 4.30 -0.04 0.00 1.02 -1.26 -3.86 118.68 115.83 1cdb s LEU 13 Ca 0.21 1.88 -0.00 0.00 0.02 0.00 0.00 54.13 56.24 1cdb s LEU 13 Cb 0.05 -3.56 -0.00 0.00 0.02 0.00 0.00 46.19 42.70 1cdb s LEU 13 CO 0.02 -0.57 0.04 0.61 0.02 0.00 0.00 176.35 176.47 1cdb n GLY 14 N 3.36 0.17 3.64 -3.19 0.00 -1.25 -4.74 105.19 103.17 1cdb n GLY 14 Ca 0.11 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.03 0.75 -0.23 1.61 0.74 -1.25 -4.79 119.66 113.46 1cdb s GLN 15 Ca 0.01 1.07 -0.23 0.00 0.05 0.00 0.00 55.36 56.25 1cdb s GLN 15 Cb -0.00 0.28 -0.01 0.00 1.10 0.00 0.00 33.01 34.38 1cdb s GLN 15 CO 0.04 -0.12 0.77 -0.51 -0.55 0.00 0.00 175.29 174.92 1cdb s ASP 16 N 0.93 6.78 -0.04 6.67 1.11 -1.26 -3.47 116.67 127.39 1cdb s ASP 16 Ca -0.04 0.97 0.02 0.00 0.18 0.00 0.00 52.55 53.67 1cdb s ASP 16 Cb -0.05 -2.41 0.01 0.00 1.07 0.00 0.00 42.92 41.54 1cdb s ASP 16 CO -0.09 -0.46 -0.08 -0.63 1.18 0.00 0.00 175.17 175.10 1cdb s ILE 17 N 2.63 0.78 0.08 0.77 -1.09 -1.05 -4.92 121.20 118.39 1cdb s ILE 17 Ca 0.33 -0.30 -0.03 0.00 -2.23 0.00 0.00 60.65 58.41 1cdb s ILE 17 Cb -0.15 -0.73 -0.05 0.00 -1.58 0.00 0.00 42.46 39.94 1cdb s ILE 17 CO 0.08 0.27 0.29 0.20 -1.23 0.00 0.00 174.94 174.54 1cdb s ASN 18 N 0.58 6.44 -0.22 3.58 -0.87 -1.26 -1.52 114.94 121.67 1cdb s ASN 18 Ca -0.10 0.46 -0.08 0.00 -1.57 0.00 0.00 52.86 51.57 1cdb s ASN 18 Cb -0.13 -2.04 -0.04 0.00 -0.02 0.00 0.00 41.25 39.03 1cdb s ASN 18 CO 0.01 0.14 0.08 -0.76 -2.57 0.00 0.00 177.10 174.01 1cdb s LEU 19 N -2.39 3.72 -0.30 0.60 1.43 -0.55 -4.96 118.68 116.23 1cdb s LEU 19 Ca 0.35 -0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.34 1cdb s LEU 19 Cb -0.13 -1.97 0.15 0.00 0.03 0.00 0.00 46.19 44.27 1cdb s LEU 19 CO 0.24 0.07 0.73 -0.62 0.23 0.00 0.00 176.35 177.00 1cdb s ASP 20 N 0.97 -1.05 -0.41 2.29 2.15 -1.26 -1.19 116.67 118.17 1cdb s ASP 20 Ca 0.05 1.23 -0.11 0.00 0.43 0.00 0.00 52.55 54.14 1cdb s ASP 20 Cb -0.14 2.11 0.05 0.00 -0.30 0.00 0.00 42.92 44.65 1cdb s ASP 20 CO 0.03 -0.20 0.27 -0.51 -0.17 0.00 0.00 175.17 174.59 1cdb s ILE 21 N 2.81 4.61 0.95 4.11 1.10 -1.26 -5.11 121.20 128.41 1cdb s ILE 21 Ca 0.00 -1.09 -0.15 0.00 -0.51 0.00 0.00 60.65 58.90 1cdb s ILE 21 Cb -0.11 -3.70 0.19 0.00 0.15 0.00 0.00 42.46 38.98 1cdb s ILE 21 CO -0.19 -0.41 1.28 -2.16 -2.11 0.00 0.00 174.94 171.36 1cdb s PRO 22 N 1.53 0.74 -0.33 3.50 0.04 -1.26 -4.79 135.00 134.44 1cdb s PRO 22 Ca 0.03 -0.29 -0.00 0.00 0.04 0.00 0.00 61.00 60.78 1cdb s PRO 22 Cb -0.22 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 1cdb s PRO 22 CO 0.05 -2.36 0.31 0.43 0.04 0.00 0.00 177.00 175.47 1cdb n SER 23 N -3.76 -4.57 -3.44 6.66 7.64 -1.26 -5.10 113.62 109.79 1cdb n SER 23 Ca 0.14 -0.03 -0.10 0.00 1.01 0.00 0.00 58.87 59.89 1cdb n SER 23 Cb 0.60 -2.91 -0.09 0.00 -1.01 0.00 0.00 64.21 60.79 1cdb n SER 23 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1cdb s PHE 24 N -3.00 -0.77 -0.18 1.43 5.36 -1.26 -5.14 117.98 114.42 1cdb s PHE 24 Ca 0.00 0.95 -0.29 0.00 -0.96 0.00 0.00 56.93 56.63 1cdb s PHE 24 Cb -0.00 0.05 -0.00 0.00 -0.34 0.00 0.00 43.02 42.73 1cdb s PHE 24 CO 0.33 -0.64 1.10 1.14 -1.46 0.00 0.00 175.22 175.69 1cdb s GLN 25 N 2.54 4.28 -0.24 10.12 -2.07 -1.26 -5.03 119.66 128.01 1cdb s GLN 25 Ca 0.09 1.46 -0.19 0.00 -1.82 0.00 0.00 55.36 54.91 1cdb s GLN 25 Cb -0.15 -3.65 -0.03 0.00 -1.09 0.00 0.00 33.01 28.10 1cdb s GLN 25 CO -0.14 -0.59 0.54 -1.64 -1.32 0.00 0.00 175.29 172.13 1cdb s MET 26 N 3.04 4.12 -0.05 9.60 -1.94 -1.26 -4.97 119.30 127.84 1cdb s MET 26 Ca 0.48 0.40 -0.08 0.00 -1.71 0.00 0.00 55.69 54.79 1cdb s MET 26 Cb -0.18 -3.62 -0.03 0.00 2.01 0.00 0.00 34.83 33.01 1cdb s MET 26 CO 0.11 -0.28 -0.16 -1.13 -0.01 0.00 0.00 175.02 173.55 1cdb n SER 27 N 5.28 1.32 -3.15 3.03 3.41 -1.26 -5.07 113.62 117.18 1cdb n SER 27 Ca -0.04 0.21 0.05 0.00 -0.26 0.00 0.00 58.87 58.83 1cdb n SER 27 Cb 0.50 -0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 63.95 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 -6.01 -0.68 0.00 4.04 -4.77 -1.26 -5.11 116.67 102.87 1cdb s ASP 28 Ca -0.14 0.41 0.00 0.00 -3.30 0.00 0.00 52.55 49.52 1cdb s ASP 28 Cb 0.03 1.57 0.00 0.00 -1.09 0.00 0.00 42.92 43.43 1cdb s ASP 28 CO 0.20 -0.13 0.00 0.47 0.70 0.00 0.00 175.17 176.41 1cdb n ASP 29 N 5.45 -1.53 -3.57 2.11 8.00 -1.26 -4.97 116.55 120.78 1cdb n ASP 29 Ca -0.05 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.25 1cdb n ASP 29 Cb 0.53 -0.76 -0.15 0.00 -0.02 0.00 0.00 41.12 40.72 1cdb n ASP 29 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1cdb s ILE 30 N 0.00 -0.25 0.16 0.53 1.09 -1.26 -4.22 121.20 117.25 1cdb s ILE 30 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.55 1cdb s ILE 30 Cb 0.00 -0.55 0.00 0.00 -1.06 0.00 0.00 42.46 40.85 1cdb s ILE 30 CO 0.00 -0.13 0.00 -0.67 -0.10 0.00 0.00 174.94 174.04 1cdb n ASP 31 N 5.31 0.46 -4.75 3.58 -0.08 -1.23 -4.82 116.55 115.01 1cdb n ASP 31 Ca -0.06 0.25 -0.38 0.00 -1.51 0.00 0.00 54.79 53.10 1cdb n ASP 31 Cb 0.49 -0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.89 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 -5.47 6.71 0.04 1.67 1.01 -0.56 -4.88 116.67 115.19 1cdb s ASP 32 Ca 0.00 0.85 0.00 0.00 0.71 0.00 0.00 52.55 54.11 1cdb s ASP 32 Cb 0.00 -2.27 -0.03 0.00 1.01 0.00 0.00 42.92 41.63 1cdb s ASP 32 CO 0.00 0.10 -0.04 -0.63 0.21 0.00 0.00 175.17 174.81 1cdb s ILE 33 N 0.12 0.24 -0.11 0.77 1.09 -1.08 -1.38 121.20 120.85 1cdb s ILE 33 Ca 0.25 -1.30 -0.08 0.00 -1.10 0.00 0.00 60.65 58.42 1cdb s ILE 33 Cb -0.16 -0.81 0.04 0.00 -1.06 0.00 0.00 42.46 40.47 1cdb s ILE 33 CO 0.11 -0.67 0.28 -0.75 -0.10 0.00 0.00 174.94 173.80 1cdb s LYS 34 N -2.44 0.28 -0.25 2.79 2.20 -0.86 -1.62 119.74 119.84 1cdb s LYS 34 Ca -0.06 0.48 0.02 0.00 -0.36 0.00 0.00 55.97 56.05 1cdb s LYS 34 Cb -0.03 0.02 0.05 0.00 -1.51 0.00 0.00 37.83 36.36 1cdb s LYS 34 CO -0.04 -0.10 -0.11 -1.58 -0.36 0.00 0.00 175.35 173.16 1cdb s TRP 35 N 0.73 3.18 0.14 4.03 0.52 -0.96 -1.95 118.94 124.63 1cdb s TRP 35 Ca -0.05 -2.12 0.08 0.00 0.02 0.00 0.00 56.10 54.03 1cdb s TRP 35 Cb -0.06 -1.95 -0.04 0.00 -1.15 0.00 0.00 33.47 30.27 1cdb s TRP 35 CO -0.05 -0.85 -0.18 -1.83 0.02 0.00 0.00 176.95 174.07 1cdb s GLU 36 N 1.16 1.18 0.26 4.98 1.03 -0.91 -2.75 118.70 123.65 1cdb s GLU 36 Ca -0.06 -1.31 -0.09 0.00 0.03 0.00 0.00 54.97 53.54 1cdb s GLU 36 Cb -0.19 -1.23 -0.07 0.00 -0.80 0.00 0.00 34.13 31.84 1cdb s GLU 36 CO -0.06 0.26 0.58 0.15 -1.33 0.00 0.00 175.26 174.86 1cdb s LYS 37 N -2.57 3.77 0.00 -4.83 1.02 -0.09 -0.66 119.74 116.38 1cdb s LYS 37 Ca 0.12 0.24 0.26 0.00 0.02 0.00 0.00 55.97 56.61 1cdb s LYS 37 Cb -0.06 -2.61 0.69 0.00 -0.52 0.00 0.00 37.83 35.33 1cdb s LYS 37 CO 0.05 0.25 1.53 0.25 -0.92 0.00 0.00 175.35 176.52 1cdb n THR 38 N -0.46 0.00 0.28 2.17 -2.24 -1.26 -2.71 114.28 110.07 1cdb n THR 38 Ca 0.00 -0.06 -0.14 0.00 -2.27 0.00 0.00 64.05 61.59 1cdb n THR 38 Cb 0.53 0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.95 1cdb n THR 38 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1cdb h SER 39 N 0.55 -0.91 -1.65 3.42 0.02 -1.95 -3.38 113.55 109.64 1cdb h SER 39 Ca 0.00 0.06 -0.44 0.00 -0.84 0.00 0.00 61.79 60.56 1cdb h SER 39 Cb 0.49 0.27 -0.40 0.00 0.14 0.00 0.00 62.40 62.91 1cdb h SER 39 CO 0.00 -0.52 -1.18 -0.67 -1.14 0.00 0.00 176.83 173.32 1cdb n ASP 40 N -4.58 1.20 -3.37 3.07 2.03 -1.26 -5.05 116.55 108.60 1cdb n ASP 40 Ca -0.10 -2.94 -0.16 0.00 0.52 0.00 0.00 54.79 52.11 1cdb n ASP 40 Cb 0.35 -0.58 0.03 0.00 -0.72 0.00 0.00 41.12 40.20 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 0.14 -1.59 -3.83 -0.67 4.81 -1.19 -4.98 118.16 110.84 1cdb n LYS 41 Ca 0.20 0.94 -0.35 0.00 -0.87 0.00 0.00 58.31 58.23 1cdb n LYS 41 Cb 0.71 -4.95 -0.12 0.00 0.02 0.00 0.00 35.03 30.68 1cdb n LYS 41 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1cdb s LYS 42 N -4.47 1.95 -0.54 1.64 -0.14 -1.10 -4.88 119.74 112.20 1cdb s LYS 42 Ca 0.27 -1.97 -0.26 0.00 -1.36 0.00 0.00 55.97 52.65 1cdb s LYS 42 Cb -0.07 -3.50 -0.05 0.00 -1.68 0.00 0.00 37.83 32.53 1cdb s LYS 42 CO 0.79 -1.06 2.18 -1.59 -0.76 0.00 0.00 175.35 174.91 1cdb s LYS 43 N 0.85 2.32 -0.11 1.68 -2.85 -1.26 -0.91 119.74 119.46 1cdb s LYS 43 Ca 0.11 1.07 -0.14 0.00 -1.00 0.00 0.00 55.97 56.01 1cdb s LYS 43 Cb -0.22 -4.50 -0.12 0.00 -2.06 0.00 0.00 37.83 30.93 1cdb s LYS 43 CO -0.05 -3.05 0.42 0.82 0.10 0.00 0.00 175.35 173.59 1cdb h ILE 44 N 7.35 0.80 -3.23 3.79 5.03 -1.90 -3.49 117.51 125.86 1cdb h ILE 44 Ca -0.25 -1.53 -0.02 0.00 -0.12 0.00 0.00 64.86 62.94 1cdb h ILE 44 Cb 1.22 1.48 -0.11 0.00 -3.03 0.00 0.00 36.82 36.39 1cdb h ILE 44 CO 1.18 0.26 0.06 0.00 -0.68 0.00 0.00 178.15 178.98 1cdb s ALA 45 N -2.60 -1.12 0.19 1.87 0.00 -1.11 -4.87 121.76 114.12 1cdb s ALA 45 Ca -0.09 -0.00 -0.17 0.00 0.00 0.00 0.00 51.96 51.70 1cdb s ALA 45 Cb -0.01 0.83 0.03 0.00 0.00 0.00 0.00 23.12 23.96 1cdb s ALA 45 CO 0.33 -0.77 0.51 1.14 0.00 0.00 0.00 175.76 176.97 1cdb s GLN 46 N -3.83 1.37 0.00 0.00 1.03 -0.83 -2.27 119.66 115.14 1cdb s GLN 46 Ca 0.06 -0.88 0.06 0.00 0.04 0.00 0.00 55.36 54.63 1cdb s GLN 46 Cb -0.01 0.51 -0.02 0.00 0.03 0.00 0.00 33.01 33.53 1cdb s GLN 46 CO -0.07 -0.58 -0.18 -0.06 -2.54 0.00 0.00 175.29 171.86 1cdb s PHE 47 N -3.88 1.63 0.30 9.60 0.40 -0.64 -2.15 117.98 123.25 1cdb s PHE 47 Ca 0.10 -0.32 0.04 0.00 -0.60 0.00 0.00 56.93 56.15 1cdb s PHE 47 Cb -0.01 -1.03 -0.02 0.00 0.51 0.00 0.00 43.02 42.48 1cdb s PHE 47 CO -0.03 -0.00 0.15 -2.13 0.70 0.00 0.00 175.22 173.91 1cdb n ARG 48 N 2.44 0.54 -2.60 0.44 0.63 -1.26 -2.65 116.66 114.21 1cdb n ARG 48 Ca -0.15 -2.69 -0.41 0.00 -0.92 0.00 0.00 57.85 53.67 1cdb n ARG 48 Cb 0.54 1.70 -0.03 0.00 0.45 0.00 0.00 32.46 35.12 1cdb n ARG 48 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1cdb s LYS 49 N -3.18 3.19 -1.69 -0.14 0.00 -1.26 -4.34 119.74 112.33 1cdb s LYS 49 Ca 0.21 -0.37 -0.18 0.00 0.00 0.00 0.00 55.97 55.63 1cdb s LYS 49 Cb 0.01 -4.23 0.16 0.00 0.00 0.00 0.00 37.83 33.77 1cdb s LYS 49 CO 0.15 -2.10 0.78 -0.85 0.00 0.00 0.00 175.35 173.34 1cdb n GLU 50 N 9.09 -3.18 -3.48 1.78 0.28 -1.26 -4.95 120.64 118.92 1cdb n GLU 50 Ca 0.03 0.37 0.01 0.00 -0.16 0.00 0.00 57.16 57.41 1cdb n GLU 50 Cb 0.48 -5.11 -0.05 0.00 1.43 0.00 0.00 31.44 28.19 1cdb n GLU 50 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1cdb s LYS 51 N -6.89 0.27 -0.32 3.44 -2.85 -1.26 -5.06 119.74 107.07 1cdb s LYS 51 Ca 0.74 0.58 -0.08 0.00 -1.00 0.00 0.00 55.97 56.22 1cdb s LYS 51 Cb -0.40 0.25 0.01 0.00 -2.06 0.00 0.00 37.83 35.62 1cdb s LYS 51 CO 0.91 -0.08 0.28 0.39 0.10 0.00 0.00 175.35 176.96 1cdb n GLU 52 N 4.36 -2.42 -2.98 1.78 -0.58 -1.26 -4.46 120.64 115.08 1cdb n GLU 52 Ca -0.13 2.12 -0.44 0.00 -0.42 0.00 0.00 57.16 58.30 1cdb n GLU 52 Cb 0.55 -4.88 -0.04 0.00 -0.57 0.00 0.00 31.44 26.49 1cdb n GLU 52 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1cdb s THR 53 N -1.93 4.57 -0.45 2.62 2.01 -1.26 -4.01 115.64 117.19 1cdb s THR 53 Ca 0.12 -0.68 -0.16 0.00 0.31 0.00 0.00 61.69 61.27 1cdb s THR 53 Cb -0.03 -4.59 0.05 0.00 0.01 0.00 0.00 72.50 67.93 1cdb s THR 53 CO 0.65 -1.30 0.42 0.12 -0.69 0.00 0.00 174.62 173.82 1cdb s PHE 54 N 3.38 3.20 -0.29 4.92 5.36 -0.91 -5.01 117.98 128.63 1cdb s PHE 54 Ca 0.17 -0.66 -0.22 0.00 -0.96 0.00 0.00 56.93 55.26 1cdb s PHE 54 Cb -0.20 -3.01 0.14 0.00 -0.34 0.00 0.00 43.02 39.60 1cdb s PHE 54 CO 0.08 -0.76 1.07 -1.59 -1.46 0.00 0.00 175.22 172.56 1cdb s LYS 55 N 1.91 0.41 -0.05 10.12 0.00 -1.26 -1.96 119.74 128.92 1cdb s LYS 55 Ca 0.08 0.55 -0.03 0.00 0.00 0.00 0.00 55.97 56.57 1cdb s LYS 55 Cb -0.21 0.17 0.02 0.00 0.00 0.00 0.00 37.83 37.81 1cdb s LYS 55 CO 0.10 -0.06 0.11 -2.00 0.00 0.00 0.00 175.35 173.50 1cdb s GLU 56 N 0.54 0.10 0.03 1.78 2.56 -1.26 -5.11 118.70 117.33 1cdb s GLU 56 Ca -0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.97 55.19 1cdb s GLU 56 Cb -0.05 -0.05 0.00 0.00 2.00 0.00 0.00 34.13 36.04 1cdb s GLU 56 CO -0.10 -0.08 0.00 1.17 -0.56 0.00 0.00 175.26 175.69 1cdb n LYS 57 N 3.51 -0.20 -2.90 4.30 3.00 -1.26 -4.69 118.16 119.91 1cdb n LYS 57 Ca -0.18 0.16 -0.41 0.00 -0.00 0.00 0.00 58.31 57.87 1cdb n LYS 57 Cb 0.56 -0.19 0.01 0.00 0.00 0.00 0.00 35.03 35.41 1cdb n LYS 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1cdb n ASP 58 N -1.40 6.58 -0.07 3.14 5.68 -1.26 -2.74 116.55 126.49 1cdb n ASP 58 Ca 0.00 -3.51 0.14 0.00 -0.50 0.00 0.00 54.79 50.91 1cdb n ASP 58 Cb 0.02 -1.20 0.55 0.00 -1.14 0.00 0.00 41.12 39.35 1cdb n ASP 58 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1cdb n THR 59 N 0.81 0.00 -4.09 2.12 -2.24 -1.26 -4.75 114.28 104.87 1cdb n THR 59 Ca 0.33 -0.04 -0.11 0.00 -2.27 0.00 0.00 64.05 61.96 1cdb n THR 59 Cb 0.31 -0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 68.32 1cdb n THR 59 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1cdb s TYR 60 N -2.68 0.67 -0.39 4.78 2.02 -1.11 -1.05 117.35 119.60 1cdb s TYR 60 Ca 0.22 -0.71 0.02 0.00 -0.37 0.00 0.00 57.07 56.24 1cdb s TYR 60 Cb 0.19 -0.41 0.11 0.00 -0.40 0.00 0.00 41.96 41.46 1cdb s TYR 60 CO 0.53 -0.16 0.15 0.21 -1.57 0.00 0.00 175.55 174.71 1cdb s LYS 61 N -2.58 1.29 -0.25 -0.62 2.47 -0.04 -4.78 119.74 115.22 1cdb s LYS 61 Ca -0.02 -1.80 -0.29 0.00 -1.56 0.00 0.00 55.97 52.30 1cdb s LYS 61 Cb -0.03 -2.64 -0.01 0.00 -1.46 0.00 0.00 37.83 33.69 1cdb s LYS 61 CO -0.03 -1.04 1.43 -0.51 0.16 0.00 0.00 175.35 175.36 1cdb s LEU 62 N 0.77 3.92 0.00 5.43 1.02 -1.26 -1.32 118.68 127.23 1cdb s LEU 62 Ca 0.13 1.43 0.00 0.00 0.02 0.00 0.00 54.13 55.72 1cdb s LEU 62 Cb -0.21 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.46 1cdb s LEU 62 CO -0.09 -1.12 0.00 2.22 0.02 0.00 0.00 176.35 177.37 1cdb n PHE 63 N 7.86 0.00 -3.74 0.29 -1.74 -0.99 -5.00 117.46 114.13 1cdb n PHE 63 Ca 0.16 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.76 1cdb n PHE 63 Cb 0.46 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.33 1cdb n PHE 63 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 1cdb s LYS 64 N 0.00 1.35 0.00 3.97 1.02 -1.26 -4.93 119.74 119.90 1cdb s LYS 64 Ca 0.00 -2.05 0.00 0.00 0.02 0.00 0.00 55.97 53.94 1cdb s LYS 64 Cb 0.00 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 1cdb s LYS 64 CO 0.00 -1.15 0.00 0.27 -0.92 0.00 0.00 175.35 173.55 1cdb n ASN 65 N 3.54 0.00 -3.71 2.83 2.04 -1.26 -5.04 115.26 113.67 1cdb n ASN 65 Ca 0.08 0.00 -0.31 0.00 -0.44 0.00 0.00 54.58 53.91 1cdb n ASN 65 Cb 0.34 0.00 0.04 0.00 -2.53 0.00 0.00 39.78 37.63 1cdb n ASN 65 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1cdb n GLY 66 N 0.00 -0.92 3.64 4.83 0.00 -1.26 -4.98 105.19 106.50 1cdb n GLY 66 Ca 0.00 0.43 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.50 0.01 0.04 2.61 2.01 -1.26 -4.52 115.64 111.02 1cdb s THR 67 Ca 0.43 -1.20 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 1cdb s THR 67 Cb -0.16 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 1cdb s THR 67 CO 0.86 -0.03 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.52 1cdb s LEU 68 N -2.97 2.38 -0.37 4.42 0.20 -0.33 -2.35 118.68 119.67 1cdb s LEU 68 Ca 0.17 -0.83 0.03 0.00 0.69 0.00 0.00 54.13 54.19 1cdb s LEU 68 Cb -0.02 0.19 0.15 0.00 -0.43 0.00 0.00 46.19 46.08 1cdb s LEU 68 CO 0.06 -0.50 0.35 -0.75 -0.29 0.00 0.00 176.35 175.22 1cdb s LYS 69 N -3.11 0.62 -0.68 1.98 2.20 -0.44 -1.49 119.74 118.82 1cdb s LYS 69 Ca -0.01 -0.94 -0.26 0.00 -0.36 0.00 0.00 55.97 54.40 1cdb s LYS 69 Cb 0.02 -0.82 0.04 0.00 -1.51 0.00 0.00 37.83 35.56 1cdb s LYS 69 CO -0.07 -1.20 1.19 0.42 -0.36 0.00 0.00 175.35 175.34 1cdb s ILE 70 N 1.37 3.91 -0.87 5.43 1.01 -0.57 -0.87 121.20 130.61 1cdb s ILE 70 Ca 0.17 0.39 -0.18 0.00 0.00 0.00 0.00 60.65 61.03 1cdb s ILE 70 Cb -0.17 -4.82 0.14 0.00 0.01 0.00 0.00 42.46 37.63 1cdb s ILE 70 CO -0.03 -1.65 1.01 -0.75 0.00 0.00 0.00 174.94 173.52 1cdb s LYS 71 N 5.22 3.54 -0.27 2.79 2.36 -0.21 -2.53 119.74 130.64 1cdb s LYS 71 Ca 0.34 -1.83 -0.04 0.00 -2.55 0.00 0.00 55.97 51.89 1cdb s LYS 71 Cb -0.09 -4.73 0.02 0.00 -1.05 0.00 0.00 37.83 31.97 1cdb s LYS 71 CO 0.17 -1.66 0.08 1.58 1.55 0.00 0.00 175.35 177.07 1cdb n HIS 72 N 6.04 -4.11 0.00 4.03 -0.00 -1.23 -4.62 115.22 115.33 1cdb n HIS 72 Ca 0.18 2.02 0.00 0.00 -0.00 0.00 0.00 57.72 59.91 1cdb n HIS 72 Cb 0.48 -3.96 0.00 0.00 -0.00 0.00 0.00 29.99 26.51 1cdb n HIS 72 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1cdb n LEU 73 N 1.00 0.00 0.00 0.27 4.77 -1.23 -4.72 117.00 117.09 1cdb n LEU 73 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1cdb n LEU 73 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1cdb n LEU 73 CO 0.43 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.78 1cdb n LYS 74 N -0.06 0.00 -0.14 3.23 5.02 -1.26 -3.77 118.16 121.17 1cdb n LYS 74 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1cdb n LYS 74 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 1cdb n LYS 74 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1cdb h THR 75 N 0.00 0.79 0.00 -0.18 2.02 -1.88 -2.57 112.91 111.09 1cdb h THR 75 Ca 0.00 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1cdb h THR 75 Cb 0.00 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1cdb h THR 75 CO 0.00 0.05 -0.01 -2.24 0.37 0.00 0.00 175.52 173.69 1cdb h ASP 76 N 0.26 0.00 0.18 4.18 2.03 -2.00 -2.84 116.42 118.22 1cdb h ASP 76 Ca 0.22 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.44 1cdb h ASP 76 Cb 0.26 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.75 1cdb h ASP 76 CO -0.27 0.01 -0.29 -0.78 -1.03 0.00 0.00 179.24 176.89 1cdb h ASP 77 N 0.00 0.18 -2.75 4.15 3.58 -1.72 -3.46 116.42 116.39 1cdb h ASP 77 Ca -0.00 -0.06 -0.32 0.00 0.42 0.00 0.00 57.03 57.08 1cdb h ASP 77 Cb 0.29 -0.05 -0.36 0.00 1.72 0.00 0.00 39.33 40.93 1cdb h ASP 77 CO 0.00 0.47 -0.63 0.00 -2.88 0.00 0.00 179.24 176.20 1cdb s GLN 78 N -4.39 0.13 0.00 0.28 -2.07 -1.07 -4.98 119.66 107.56 1cdb s GLN 78 Ca -0.04 0.32 0.00 0.00 -1.82 0.00 0.00 55.36 53.81 1cdb s GLN 78 Cb 0.14 -0.92 0.00 0.00 -1.09 0.00 0.00 33.01 31.14 1cdb s GLN 78 CO 0.74 -0.53 0.00 -0.25 -1.32 0.00 0.00 175.29 173.93 1cdb n ASP 79 N 5.32 0.00 -4.76 12.60 8.00 -1.26 -4.82 116.55 131.63 1cdb n ASP 79 Ca -0.05 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.05 1cdb n ASP 79 Cb 0.50 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.54 1cdb n ASP 79 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1cdb s ILE 80 N -0.24 4.79 0.30 0.53 1.01 -1.26 -1.47 121.20 124.86 1cdb s ILE 80 Ca 0.00 1.40 0.03 0.00 0.00 0.00 0.00 60.65 62.08 1cdb s ILE 80 Cb 0.00 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1cdb s ILE 80 CO 0.00 0.42 0.17 -0.31 0.00 0.00 0.00 174.94 175.22 1cdb s TYR 81 N -0.33 1.58 -0.27 3.97 2.02 -0.81 -4.28 117.35 119.24 1cdb s TYR 81 Ca 0.34 -1.39 -0.25 0.00 -0.37 0.00 0.00 57.07 55.39 1cdb s TYR 81 Cb -0.19 -0.82 0.09 0.00 -0.40 0.00 0.00 41.96 40.63 1cdb s TYR 81 CO 0.20 -0.56 0.84 -1.59 -1.57 0.00 0.00 175.55 172.87 1cdb s LYS 82 N -3.82 0.71 0.03 -0.62 -2.85 0.17 -1.57 119.74 111.80 1cdb s LYS 82 Ca 0.36 0.82 0.00 0.00 -1.00 0.00 0.00 55.97 56.15 1cdb s LYS 82 Cb 0.05 0.35 -0.04 0.00 -2.06 0.00 0.00 37.83 36.13 1cdb s LYS 82 CO 0.18 -0.09 0.13 0.54 0.10 0.00 0.00 175.35 176.20 1cdb s VAL 83 N 0.26 4.94 0.01 1.79 0.11 -0.30 -2.15 120.40 125.05 1cdb s VAL 83 Ca 0.01 -0.46 0.03 0.00 -2.93 0.00 0.00 61.98 58.62 1cdb s VAL 83 Cb -0.05 -3.33 -0.01 0.00 -1.53 0.00 0.00 36.38 31.46 1cdb s VAL 83 CO -0.01 0.24 -0.08 -0.44 -3.33 0.00 0.00 175.10 171.47 1cdb s SER 84 N -2.11 0.94 -0.12 3.54 0.01 -0.82 -2.58 113.70 112.56 1cdb s SER 84 Ca 0.28 -0.22 0.03 0.00 1.31 0.00 0.00 55.95 57.35 1cdb s SER 84 Cb -0.12 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.03 1cdb s SER 84 CO 0.20 0.04 -0.23 -0.63 0.41 0.00 0.00 173.24 173.03 1cdb s ILE 85 N -0.41 2.03 0.00 1.44 1.01 -0.63 -2.03 121.20 122.61 1cdb s ILE 85 Ca 0.01 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.72 1cdb s ILE 85 Cb -0.04 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 1cdb s ILE 85 CO -0.00 0.55 -0.14 -0.31 0.00 0.00 0.00 174.94 175.04 1cdb s TYR 86 N 0.55 1.22 0.56 3.97 1.51 -0.48 -1.61 117.35 123.08 1cdb s TYR 86 Ca -0.14 -0.26 -0.09 0.00 -1.01 0.00 0.00 57.07 55.57 1cdb s TYR 86 Cb -0.17 -0.77 0.14 0.00 -0.11 0.00 0.00 41.96 41.05 1cdb s TYR 86 CO 0.04 -0.01 0.53 -0.40 -1.11 0.00 0.00 175.55 174.60 1cdb n ASP 87 N 2.54 -1.31 -0.14 2.29 5.68 -1.22 -1.49 116.55 122.90 1cdb n ASP 87 Ca -0.15 -0.87 0.16 0.00 -0.50 0.00 0.00 54.79 53.44 1cdb n ASP 87 Cb 0.55 -0.47 0.54 0.00 -1.14 0.00 0.00 41.12 40.60 1cdb n ASP 87 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1cdb h THR 88 N -1.99 0.78 -0.21 2.12 1.35 -1.88 -2.40 112.91 110.68 1cdb h THR 88 Ca -0.19 -0.12 -0.17 0.00 -0.55 0.00 0.00 66.41 65.38 1cdb h THR 88 Cb 0.58 0.41 -0.00 0.00 -1.73 0.00 0.00 68.15 67.41 1cdb h THR 88 CO 0.13 0.06 -0.57 0.50 -0.25 0.00 0.00 175.52 175.39 1cdb h LYS 89 N 0.34 0.65 -0.45 4.72 3.11 -1.94 -3.47 116.57 119.52 1cdb h LYS 89 Ca 0.35 -0.42 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 1cdb h LYS 89 Cb 0.89 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.17 1cdb h LYS 89 CO -0.10 1.04 0.00 0.41 -2.81 0.00 0.00 179.45 177.99 1cdb n GLY 90 N 0.32 0.60 2.67 5.01 0.00 -0.90 -5.13 105.19 107.75 1cdb n GLY 90 Ca -0.04 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 1cdb n GLY 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1cdb s LYS 91 N -1.75 0.21 -0.01 1.61 2.47 -1.26 -4.89 119.74 116.12 1cdb s LYS 91 Ca 0.00 0.00 -0.30 0.00 -1.56 0.00 0.00 55.97 54.12 1cdb s LYS 91 Cb 0.00 -1.42 -0.08 0.00 -1.46 0.00 0.00 37.83 34.87 1cdb s LYS 91 CO 0.00 -0.53 1.89 1.21 0.16 0.00 0.00 175.35 178.09 1cdb s ASN 92 N 2.07 6.45 0.00 1.43 2.47 -1.26 -3.39 114.94 122.71 1cdb s ASN 92 Ca 0.03 2.49 0.00 0.00 0.42 0.00 0.00 52.86 55.80 1cdb s ASN 92 Cb -0.15 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 1cdb s ASN 92 CO -0.07 -1.08 0.00 1.33 -3.72 0.00 0.00 177.10 173.57 1cdb n VAL 93 N 5.68 0.00 -3.30 -5.21 0.24 -0.63 -5.03 118.33 110.07 1cdb n VAL 93 Ca 0.20 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 62.12 1cdb n VAL 93 Cb 0.42 -0.26 -0.06 0.00 -1.47 0.00 0.00 33.84 32.46 1cdb n VAL 93 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1cdb s LEU 94 N -0.48 4.24 -0.02 1.34 0.20 -1.25 -4.94 118.68 117.76 1cdb s LEU 94 Ca 0.00 0.76 0.01 0.00 0.69 0.00 0.00 54.13 55.59 1cdb s LEU 94 Cb 0.00 -2.69 0.02 0.00 -0.43 0.00 0.00 46.19 43.09 1cdb s LEU 94 CO 0.00 -0.05 -0.02 -1.83 -0.29 0.00 0.00 176.35 174.16 1cdb s GLU 95 N 0.91 0.40 0.13 1.98 -1.05 -1.26 -1.61 118.70 118.21 1cdb s GLU 95 Ca 0.25 -0.02 -0.05 0.00 -0.15 0.00 0.00 54.97 55.00 1cdb s GLU 95 Cb -0.15 -0.50 -0.02 0.00 -0.44 0.00 0.00 34.13 33.02 1cdb s GLU 95 CO 0.10 -0.06 0.15 0.15 0.95 0.00 0.00 175.26 176.55 1cdb s LYS 96 N 0.68 0.97 0.11 -4.83 -0.14 -1.06 -5.02 119.74 110.45 1cdb s LYS 96 Ca -0.07 -1.26 0.09 0.00 -1.36 0.00 0.00 55.97 53.37 1cdb s LYS 96 Cb -0.10 0.30 -0.04 0.00 -1.68 0.00 0.00 37.83 36.31 1cdb s LYS 96 CO -0.01 -0.31 -0.24 0.42 -0.76 0.00 0.00 175.35 174.46 1cdb s ILE 97 N -3.98 1.95 0.04 2.17 1.01 -1.26 -1.15 121.20 119.97 1cdb s ILE 97 Ca 0.18 -1.61 -0.07 0.00 0.00 0.00 0.00 60.65 59.14 1cdb s ILE 97 Cb 0.06 -1.74 -0.00 0.00 0.01 0.00 0.00 42.46 40.78 1cdb s ILE 97 CO -0.02 0.03 0.14 -0.36 0.00 0.00 0.00 174.94 174.74 1cdb s PHE 98 N -1.09 0.12 -0.27 3.97 0.40 -0.61 -1.13 117.98 119.37 1cdb s PHE 98 Ca 0.10 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1cdb s PHE 98 Cb -0.10 -0.09 0.13 0.00 0.51 0.00 0.00 43.02 43.48 1cdb s PHE 98 CO 0.05 -0.39 0.32 -0.51 0.70 0.00 0.00 175.22 175.40 1cdb s ASP 99 N -2.04 1.09 -0.71 1.36 1.11 -1.05 -1.92 116.67 114.52 1cdb s ASP 99 Ca -0.06 -0.41 -0.24 0.00 0.18 0.00 0.00 52.55 52.01 1cdb s ASP 99 Cb -0.02 0.73 0.05 0.00 1.07 0.00 0.00 42.92 44.76 1cdb s ASP 99 CO -0.04 -0.36 1.12 -0.22 1.18 0.00 0.00 175.17 176.85 1cdb s LEU 100 N 2.43 3.85 0.48 1.23 0.20 -0.54 -3.17 118.68 123.17 1cdb s LEU 100 Ca 0.10 -0.80 -0.03 0.00 0.69 0.00 0.00 54.13 54.09 1cdb s LEU 100 Cb -0.14 -2.48 -0.01 0.00 -0.43 0.00 0.00 46.19 43.12 1cdb s LEU 100 CO -0.26 -1.61 0.75 -0.54 -0.29 0.00 0.00 176.35 174.40 1cdb s LYS 101 N 4.77 3.22 -0.06 1.98 1.02 -0.54 -4.28 119.74 125.85 1cdb s LYS 101 Ca 0.28 -0.14 0.03 0.00 0.02 0.00 0.00 55.97 56.16 1cdb s LYS 101 Cb -0.12 -2.44 0.01 0.00 -0.52 0.00 0.00 37.83 34.75 1cdb s LYS 101 CO 0.11 -0.31 -0.13 0.42 -0.92 0.00 0.00 175.35 174.52 1cdb s ILE 102 N -2.69 1.14 0.12 2.17 -1.09 -1.26 -2.36 121.20 117.22 1cdb s ILE 102 Ca 0.48 -0.50 -0.31 0.00 -2.23 0.00 0.00 60.65 58.10 1cdb s ILE 102 Cb -0.10 -1.03 -0.09 0.00 -1.58 0.00 0.00 42.46 39.67 1cdb s ILE 102 CO 0.42 0.35 1.48 -1.10 -1.23 0.00 0.00 174.94 174.85 1cdb s GLN 103 N 0.53 4.27 0.00 2.79 -0.21 -0.86 -3.95 119.66 122.23 1cdb s GLN 103 Ca -0.12 2.19 0.00 0.00 0.02 0.00 0.00 55.36 57.45 1cdb s GLN 103 Cb -0.14 -3.27 0.00 0.00 1.00 0.00 0.00 33.01 30.60 1cdb s GLN 103 CO 0.03 -0.53 0.00 0.39 -2.12 0.00 0.00 175.29 173.06 1cdb n GLU 104 N 4.19 0.00 0.00 2.91 1.02 -1.26 -4.99 120.64 122.51 1cdb n GLU 104 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1cdb n GLU 104 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 1cdb n GLU 104 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85