#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk5 s SER 2 N 0.00 -0.89 0.07 1.61 1.04 -1.26 -5.17 113.70 109.10 2dk5 s SER 2 Ca 0.00 1.27 -0.16 0.00 0.48 0.00 0.00 55.95 57.54 2dk5 s SER 2 Cb 0.00 1.88 0.03 0.00 0.10 0.00 0.00 66.02 68.03 2dk5 s SER 2 CO 0.00 -0.18 0.37 -0.44 0.98 0.00 0.00 173.24 173.97 2dk5 s SER 3 N 2.44 -0.21 -0.00 7.02 0.01 -1.26 -5.17 113.70 116.52 2dk5 s SER 3 Ca -0.06 -0.18 -0.01 0.00 1.31 0.00 0.00 55.95 57.01 2dk5 s SER 3 Cb -0.08 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2dk5 s SER 3 CO -0.18 -0.71 0.07 0.61 0.41 0.00 0.00 173.24 173.43 2dk5 n GLY 4 N 0.26 0.54 3.64 3.44 0.00 -1.26 -5.18 105.19 106.64 2dk5 n GLY 4 Ca -0.18 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 2dk5 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk5 s SER 5 N -1.15 -0.52 0.20 1.61 0.15 -1.26 -5.05 113.70 107.68 2dk5 s SER 5 Ca 0.02 0.96 -0.11 0.00 0.70 0.00 0.00 55.95 57.52 2dk5 s SER 5 Cb -0.00 1.04 0.25 0.00 -1.71 0.00 0.00 66.02 65.60 2dk5 s SER 5 CO -0.00 -0.16 1.72 0.28 1.20 0.00 0.00 173.24 176.28 2dk5 h SER 6 N 4.82 0.05 0.00 5.45 0.02 -2.07 -3.47 113.55 118.35 2dk5 h SER 6 Ca -0.28 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2dk5 h SER 6 Cb 1.18 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2dk5 h SER 6 CO 0.12 0.05 0.00 0.61 -1.14 0.00 0.00 176.83 176.47 2dk5 n GLY 7 N -1.30 -1.47 0.59 -3.77 0.00 -1.26 -5.07 105.19 92.91 2dk5 n GLY 7 Ca 0.08 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 2dk5 n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dk5 n ASP 8 N 0.72 1.18 -3.83 1.61 -0.08 -1.26 -5.00 116.55 109.89 2dk5 n ASP 8 Ca 0.00 0.19 -0.28 0.00 -1.51 0.00 0.00 54.79 53.19 2dk5 n ASP 8 Cb 0.00 -0.45 -0.16 0.00 2.34 0.00 0.00 41.12 42.85 2dk5 n ASP 8 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2dk5 s SER 9 N -6.09 2.93 -0.06 1.67 0.01 -1.26 -5.11 113.70 105.79 2dk5 s SER 9 Ca -0.17 -0.76 -0.02 0.00 1.31 0.00 0.00 55.95 56.31 2dk5 s SER 9 Cb 0.05 -0.80 0.04 0.00 0.21 0.00 0.00 66.02 65.52 2dk5 s SER 9 CO 0.22 -0.24 0.12 -1.10 0.41 0.00 0.00 173.24 172.65 2dk5 s GLN 10 N 1.71 0.07 -0.25 12.44 -1.52 -1.26 -5.15 119.66 125.70 2dk5 s GLN 10 Ca -0.01 0.32 -0.28 0.00 -1.95 0.00 0.00 55.36 53.44 2dk5 s GLN 10 Cb -0.16 -0.18 0.17 0.00 -0.22 0.00 0.00 33.01 32.61 2dk5 s GLN 10 CO -0.07 -0.16 1.24 0.54 -0.25 0.00 0.00 175.29 176.58 2dk5 s ASN 11 N 1.10 -0.18 0.06 5.90 4.22 -1.26 -5.05 114.94 119.73 2dk5 s ASN 11 Ca -0.09 0.24 -0.17 0.00 -2.14 0.00 0.00 52.86 50.70 2dk5 s ASN 11 Cb -0.11 0.20 -0.16 0.00 1.28 0.00 0.00 41.25 42.46 2dk5 s ASN 11 CO -0.05 -0.13 1.27 0.00 -2.04 0.00 0.00 177.10 176.15 2dk5 h ALA 12 N 2.59 0.24 0.00 3.54 0.00 -2.05 -3.48 119.26 120.11 2dk5 h ALA 12 Ca -0.16 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2dk5 h ALA 12 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2dk5 h ALA 12 CO 0.23 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.29 2dk5 n GLY 13 N 0.60 0.85 3.88 0.00 0.00 -1.26 -5.13 105.19 104.13 2dk5 n GLY 13 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 2dk5 n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dk5 s LYS 14 N 0.30 3.20 0.17 1.61 2.20 -1.26 -5.04 119.74 120.91 2dk5 s LYS 14 Ca 0.00 -0.73 -0.29 0.00 -0.36 0.00 0.00 55.97 54.58 2dk5 s LYS 14 Cb 0.00 -2.81 -0.17 0.00 -1.51 0.00 0.00 37.83 33.33 2dk5 s LYS 14 CO 0.00 0.50 0.58 0.00 -0.36 0.00 0.00 175.35 176.07 2dk5 n MET 15 N -0.53 0.00 -3.61 4.03 0.00 -1.26 -4.97 117.12 110.79 2dk5 n MET 15 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.60 2dk5 n MET 15 Cb 0.55 -1.05 -0.05 0.00 0.00 0.00 0.00 33.22 32.67 2dk5 n MET 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2dk5 s LYS 16 N -0.86 0.54 -0.35 3.17 2.47 -1.26 -5.07 119.74 118.39 2dk5 s LYS 16 Ca 0.67 1.22 0.14 0.00 -1.56 0.00 0.00 55.97 56.44 2dk5 s LYS 16 Cb -0.96 0.58 0.43 0.00 -1.46 0.00 0.00 37.83 36.42 2dk5 s LYS 16 CO 0.55 -0.16 1.23 0.41 0.16 0.00 0.00 175.35 177.54 2dk5 n GLY 17 N 4.99 1.54 4.35 5.54 0.00 -1.26 -4.99 105.19 115.36 2dk5 n GLY 17 Ca -0.14 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 2dk5 n GLY 17 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dk5 n SER 18 N -0.57 -0.41 -3.75 1.61 7.64 -1.26 -4.92 113.62 111.96 2dk5 n SER 18 Ca -0.00 -1.22 -0.12 0.00 1.01 0.00 0.00 58.87 58.53 2dk5 n SER 18 Cb 0.84 -1.84 -0.12 0.00 -1.01 0.00 0.00 64.21 62.08 2dk5 n SER 18 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dk5 s ASP 19 N -3.94 -0.28 -0.01 6.43 -1.08 -1.26 -5.03 116.67 111.51 2dk5 s ASP 19 Ca 0.33 0.54 0.05 0.00 -0.52 0.00 0.00 52.55 52.95 2dk5 s ASP 19 Cb -0.19 0.49 -0.07 0.00 -1.46 0.00 0.00 42.92 41.69 2dk5 s ASP 19 CO 0.99 -0.13 0.12 -3.20 0.52 0.00 0.00 175.17 173.47 2dk5 n ASN 20 N 3.58 3.47 -0.17 -0.34 5.15 -1.26 -4.54 115.26 121.16 2dk5 n ASN 20 Ca -0.19 -0.07 -0.08 0.00 -0.60 0.00 0.00 54.58 53.65 2dk5 n ASN 20 Cb 0.56 1.20 0.01 0.00 -0.53 0.00 0.00 39.78 41.02 2dk5 n ASN 20 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2dk5 h GLN 21 N 0.00 0.68 0.00 1.20 4.20 -1.99 0.88 115.11 120.08 2dk5 h GLN 21 Ca 0.00 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 2dk5 h GLN 21 Cb 0.21 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2dk5 h GLN 21 CO 0.00 0.55 -0.11 1.49 -0.67 0.00 0.00 178.83 180.09 2dk5 h GLU 22 N 0.64 0.00 0.22 1.46 4.81 -1.98 -2.68 114.58 117.05 2dk5 h GLU 22 Ca 0.17 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.07 2dk5 h GLU 22 Cb 0.07 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.48 2dk5 h GLU 22 CO -0.03 0.11 -1.54 0.87 -0.73 0.00 0.00 179.01 177.70 2dk5 h LYS 23 N 0.00 0.47 -0.05 1.92 1.57 -1.61 -2.61 116.57 116.27 2dk5 h LYS 23 Ca -0.00 -0.81 -0.07 0.00 -1.87 0.00 0.00 60.65 57.90 2dk5 h LYS 23 Cb 0.61 0.30 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 2dk5 h LYS 23 CO 0.01 1.39 -0.28 1.25 -0.57 0.00 0.00 179.45 181.26 2dk5 h LEU 24 N 0.09 0.08 0.23 2.94 5.85 -0.74 -2.07 115.31 121.70 2dk5 h LEU 24 Ca -0.28 -0.02 -0.33 0.00 0.84 0.00 0.00 57.88 58.09 2dk5 h LEU 24 Cb 2.11 -0.02 0.03 0.00 0.37 0.00 0.00 40.66 43.15 2dk5 h LEU 24 CO 0.23 0.36 -1.44 0.58 -0.34 0.00 0.00 178.44 177.83 2dk5 h VAL 25 N 0.08 1.32 0.00 1.05 2.07 -1.57 -3.19 116.25 116.02 2dk5 h VAL 25 Ca 0.01 -2.78 -0.05 0.00 0.82 0.00 0.00 66.70 64.71 2dk5 h VAL 25 Cb 0.53 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 2dk5 h VAL 25 CO 0.04 0.83 -0.23 0.22 0.02 0.00 0.00 177.57 178.44 2dk5 h TYR 26 N 0.13 0.00 0.00 1.57 3.20 -1.27 -2.14 116.97 118.46 2dk5 h TYR 26 Ca -0.23 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.50 2dk5 h TYR 26 Cb 2.14 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 40.39 2dk5 h TYR 26 CO 0.12 0.23 -0.65 1.96 -1.64 0.00 0.00 178.16 178.17 2dk5 h GLN 27 N 0.00 0.00 0.02 1.82 1.08 -1.43 -2.92 115.11 113.67 2dk5 h GLN 27 Ca -0.00 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.00 2dk5 h GLN 27 Cb 0.47 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.91 2dk5 h GLN 27 CO 0.03 0.65 -0.79 0.82 -0.95 0.00 0.00 178.83 178.60 2dk5 h ILE 28 N 0.00 1.38 -0.25 2.54 2.04 -1.39 -2.97 117.51 118.85 2dk5 h ILE 28 Ca -0.01 -2.18 -0.00 0.00 1.00 0.00 0.00 64.86 63.67 2dk5 h ILE 28 Cb 1.28 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 39.92 2dk5 h ILE 28 CO 0.09 0.65 0.15 0.40 0.00 0.00 0.00 178.15 179.43 2dk5 h ILE 29 N 0.05 1.11 0.00 -0.67 2.04 -1.47 -2.16 117.51 116.41 2dk5 h ILE 29 Ca -0.10 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2dk5 h ILE 29 Cb 1.49 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2dk5 h ILE 29 CO 0.15 0.10 -0.07 1.05 0.00 0.00 0.00 178.15 179.38 2dk5 h GLU 30 N 0.31 0.00 -0.19 2.37 -0.00 -1.61 -1.75 114.58 113.70 2dk5 h GLU 30 Ca 0.09 0.00 -0.13 0.00 -0.00 0.00 0.00 59.36 59.32 2dk5 h GLU 30 Cb 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.78 2dk5 h GLU 30 CO -0.02 0.07 -0.42 -0.44 -0.00 0.00 0.00 179.01 178.21 2dk5 h ASP 31 N 0.00 0.47 -0.58 3.06 3.32 -1.23 -2.91 116.42 118.55 2dk5 h ASP 31 Ca -0.00 -0.21 0.11 0.00 0.02 0.00 0.00 57.03 56.95 2dk5 h ASP 31 Cb 0.13 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2dk5 h ASP 31 CO 0.01 0.84 0.39 0.00 -1.72 0.00 0.00 179.24 178.76 2dk5 h ALA 32 N 1.18 2.14 0.00 3.45 0.00 -0.87 -3.48 119.26 121.68 2dk5 h ALA 32 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2dk5 h ALA 32 Cb 0.89 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2dk5 h ALA 32 CO 0.08 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.46 2dk5 n GLY 33 N -1.55 -2.48 0.41 0.00 0.00 -1.10 -4.11 105.19 96.36 2dk5 n GLY 33 Ca 0.10 -1.72 0.25 0.00 0.00 0.00 0.00 46.02 44.65 2dk5 n GLY 33 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2dk5 h ASN 34 N 0.00 0.42 -0.91 1.61 7.08 -1.93 0.29 115.58 122.14 2dk5 h ASN 34 Ca 0.00 0.10 0.13 0.00 -3.08 0.00 0.00 56.30 53.45 2dk5 h ASN 34 Cb 0.00 0.03 -0.09 0.00 -2.08 0.00 0.00 38.32 36.19 2dk5 h ASN 34 CO 0.00 0.03 0.53 0.11 -2.08 0.00 0.00 177.43 176.02 2dk5 h LYS 35 N 0.34 0.77 0.00 4.14 1.57 -1.99 -3.49 116.57 117.92 2dk5 h LYS 35 Ca 0.64 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.37 2dk5 h LYS 35 Cb 1.68 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.82 2dk5 h LYS 35 CO -0.33 0.51 0.00 0.41 -0.57 0.00 0.00 179.45 179.47 2dk5 n GLY 36 N -1.33 -1.75 3.18 3.86 0.00 0.10 -4.96 105.19 104.29 2dk5 n GLY 36 Ca 0.18 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 2dk5 n GLY 36 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2dk5 s ILE 37 N 0.00 0.08 -0.07 -0.61 2.07 -1.18 -4.64 121.20 116.85 2dk5 s ILE 37 Ca 0.00 -0.64 -0.22 0.00 -1.41 0.00 0.00 60.65 58.38 2dk5 s ILE 37 Cb 0.00 -0.61 -0.04 0.00 0.13 0.00 0.00 42.46 41.94 2dk5 s ILE 37 CO 0.00 -0.35 0.66 0.86 -1.91 0.00 0.00 174.94 174.19 2dk5 s TRP 38 N -1.62 3.58 0.28 3.50 -0.00 -1.26 -0.71 118.94 122.71 2dk5 s TRP 38 Ca -0.12 1.19 0.17 0.00 -0.00 0.00 0.00 56.10 57.34 2dk5 s TRP 38 Cb -0.05 -2.75 1.01 0.00 -0.00 0.00 0.00 33.47 31.68 2dk5 s TRP 38 CO 0.02 0.13 1.15 0.45 -0.00 0.00 0.00 176.95 178.69 2dk5 n SER 39 N 3.65 0.23 0.20 5.86 2.88 -1.18 -0.07 113.62 125.20 2dk5 n SER 39 Ca -0.03 1.16 -0.08 0.00 -1.33 0.00 0.00 58.87 58.59 2dk5 n SER 39 Cb 0.51 -0.57 -0.04 0.00 -0.75 0.00 0.00 64.21 63.37 2dk5 n SER 39 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2dk5 h ARG 40 N 0.00 -0.51 -1.58 -1.46 3.08 -1.91 -2.87 114.38 109.14 2dk5 h ARG 40 Ca 0.63 0.03 0.46 0.00 0.07 0.00 0.00 59.98 61.17 2dk5 h ARG 40 Cb 1.75 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 31.85 2dk5 h ARG 40 CO -0.51 -0.34 1.18 -0.25 -1.07 0.00 0.00 179.97 178.99 2dk5 n ASP 41 N -3.70 0.00 0.08 7.04 9.92 0.90 0.11 116.55 130.90 2dk5 n ASP 41 Ca -0.07 0.81 -0.11 0.00 -0.53 0.00 0.00 54.79 54.90 2dk5 n ASP 41 Cb 0.21 -0.39 -0.08 0.00 -0.64 0.00 0.00 41.12 40.22 2dk5 n ASP 41 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2dk5 h VAL 42 N 0.00 0.79 -0.79 2.53 2.07 -1.27 -2.87 116.25 116.71 2dk5 h VAL 42 Ca 0.75 -1.00 0.25 0.00 0.82 0.00 0.00 66.70 67.52 2dk5 h VAL 42 Cb 3.11 1.29 -0.15 0.00 -1.52 0.00 0.00 31.29 34.03 2dk5 h VAL 42 CO -0.01 0.19 0.13 0.54 0.02 0.00 0.00 177.57 178.44 2dk5 n ARG 43 N -4.97 -0.06 0.17 1.57 1.74 0.29 0.67 116.66 116.07 2dk5 n ARG 43 Ca -0.08 1.15 -0.10 0.00 -0.77 0.00 0.00 57.85 58.05 2dk5 n ARG 43 Cb 0.26 -1.89 -0.06 0.00 -1.02 0.00 0.00 32.46 29.75 2dk5 n ARG 43 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 2dk5 h TYR 44 N 0.00 -0.45 0.36 -1.55 -1.99 -1.59 -0.76 116.97 110.99 2dk5 h TYR 44 Ca 0.53 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 61.24 2dk5 h TYR 44 Cb 1.20 0.15 -0.03 0.00 2.00 0.00 0.00 36.73 40.06 2dk5 h TYR 44 CO -0.29 -0.17 -0.45 0.87 -0.00 0.00 0.00 178.16 178.12 2dk5 h LYS 45 N -1.04 -0.81 0.00 4.88 1.79 -0.33 -0.65 116.57 120.41 2dk5 h LYS 45 Ca -0.05 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2dk5 h LYS 45 Cb 0.49 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 2dk5 h LYS 45 CO 0.08 -0.54 0.00 0.66 -1.08 0.00 0.00 179.45 178.58 2dk5 h SER 46 N -0.84 0.00 -2.87 0.86 4.64 0.10 -3.45 113.55 111.99 2dk5 h SER 46 Ca -0.04 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.93 2dk5 h SER 46 Cb 0.75 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.79 2dk5 h SER 46 CO -0.11 0.00 -0.41 -3.20 -0.87 0.00 0.00 176.83 172.24 2dk5 n ASN 47 N -2.39 -4.90 -4.67 4.97 5.15 -0.25 -4.94 115.26 108.23 2dk5 n ASN 47 Ca -0.01 0.16 -0.25 0.00 -0.60 0.00 0.00 54.58 53.87 2dk5 n ASN 47 Cb 0.09 -4.18 -0.07 0.00 -0.53 0.00 0.00 39.78 35.08 2dk5 n ASN 47 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2dk5 s LEU 48 N -5.48 3.32 0.80 1.20 1.43 -0.92 -5.01 118.68 114.01 2dk5 s LEU 48 Ca 0.00 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 2dk5 s LEU 48 Cb 0.00 -1.93 0.08 0.00 0.03 0.00 0.00 46.19 44.36 2dk5 s LEU 48 CO 0.00 0.06 1.09 -2.16 0.23 0.00 0.00 176.35 175.57 2dk5 s PRO 49 N -3.16 2.00 0.18 1.29 0.04 -1.26 -4.59 135.00 129.50 2dk5 s PRO 49 Ca 0.29 1.08 -0.17 0.00 0.04 0.00 0.00 61.00 62.24 2dk5 s PRO 49 Cb -0.09 -1.87 0.15 0.00 0.04 0.00 0.00 34.50 32.73 2dk5 s PRO 49 CO 0.19 -1.80 1.63 1.25 0.04 0.00 0.00 177.00 178.31 2dk5 h LEU 50 N -1.24 -0.63 -2.10 -3.56 7.12 -1.98 0.51 115.31 113.43 2dk5 h LEU 50 Ca -0.45 0.17 0.07 0.00 0.13 0.00 0.00 57.88 57.79 2dk5 h LEU 50 Cb 1.24 0.37 -0.01 0.00 -0.53 0.00 0.00 40.66 41.74 2dk5 h LEU 50 CO 0.52 -0.21 0.33 0.00 -0.13 0.00 0.00 178.44 178.95 2dk5 h THR 51 N -0.07 0.31 0.13 1.05 1.03 -1.99 0.23 112.91 113.60 2dk5 h THR 51 Ca 0.23 0.00 -0.31 0.00 -0.01 0.00 0.00 66.41 66.33 2dk5 h THR 51 Cb 0.43 0.72 -0.00 0.00 -1.07 0.00 0.00 68.15 68.23 2dk5 h THR 51 CO -0.54 0.00 -1.58 -0.33 -0.01 0.00 0.00 175.52 173.06 2dk5 h GLU 52 N 0.00 0.28 -0.11 0.00 4.39 -0.42 -3.12 114.58 115.60 2dk5 h GLU 52 Ca 0.11 -0.48 -0.10 0.00 0.34 0.00 0.00 59.36 59.23 2dk5 h GLU 52 Cb 0.77 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 2dk5 h GLU 52 CO -0.00 1.23 -0.37 0.82 -1.16 0.00 0.00 179.01 179.53 2dk5 h ILE 53 N -0.16 1.29 0.07 3.13 5.03 0.46 -0.08 117.51 127.24 2dk5 h ILE 53 Ca -0.33 -1.41 -0.00 0.00 -0.12 0.00 0.00 64.86 63.00 2dk5 h ILE 53 Cb 1.88 1.62 0.00 0.00 -3.03 0.00 0.00 36.82 37.28 2dk5 h ILE 53 CO 0.09 0.42 -0.03 0.78 -0.68 0.00 0.00 178.15 178.73 2dk5 h ASN 54 N 0.20 -0.08 -0.47 1.72 -0.26 -0.76 -0.00 115.58 115.93 2dk5 h ASN 54 Ca 0.02 -0.47 -0.05 0.00 -0.56 0.00 0.00 56.30 55.24 2dk5 h ASN 54 Cb 0.74 0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 38.01 2dk5 h ASN 54 CO 0.06 0.45 0.09 0.07 -1.06 0.00 0.00 177.43 177.04 2dk5 h LYS 55 N -0.64 0.77 0.59 0.81 2.10 -1.53 -2.65 116.57 116.03 2dk5 h LYS 55 Ca -0.01 -0.20 -0.03 0.00 -2.00 0.00 0.00 60.65 58.41 2dk5 h LYS 55 Cb 0.54 -0.09 0.01 0.00 -0.90 0.00 0.00 32.23 31.78 2dk5 h LYS 55 CO 0.01 0.77 -0.28 0.82 -2.00 0.00 0.00 179.45 178.77 2dk5 h ILE 56 N 0.64 0.25 -1.24 0.07 2.04 -1.08 -0.34 117.51 117.85 2dk5 h ILE 56 Ca 0.14 -0.34 0.36 0.00 1.00 0.00 0.00 64.86 66.02 2dk5 h ILE 56 Cb 0.36 0.34 -0.08 0.00 -0.74 0.00 0.00 36.82 36.70 2dk5 h ILE 56 CO 0.01 0.03 0.85 -0.07 0.00 0.00 0.00 178.15 178.97 2dk5 h LEU 57 N -1.06 0.20 0.11 1.44 3.38 -1.03 -1.41 115.31 116.94 2dk5 h LEU 57 Ca -0.08 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2dk5 h LEU 57 Cb 0.66 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2dk5 h LEU 57 CO 0.13 -0.01 -0.05 0.50 0.09 0.00 0.00 178.44 179.10 2dk5 h LYS 58 N 0.15 -0.14 -0.84 1.13 3.64 -1.30 -3.13 116.57 116.08 2dk5 h LYS 58 Ca 0.66 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 60.21 2dk5 h LYS 58 Cb 2.22 0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 33.92 2dk5 h LYS 58 CO -0.19 -0.02 -0.25 0.09 -2.27 0.00 0.00 179.45 176.81 2dk5 n ASN 59 N -4.87 -0.39 -0.21 4.20 5.03 -0.15 0.23 115.26 119.10 2dk5 n ASN 59 Ca -0.03 1.46 -0.01 0.00 0.87 0.00 0.00 54.58 56.87 2dk5 n ASN 59 Cb 0.09 -0.40 0.21 0.00 -1.02 0.00 0.00 39.78 38.66 2dk5 n ASN 59 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2dk5 h LEU 60 N 0.00 0.87 -2.03 3.41 3.38 -1.54 0.13 115.31 119.52 2dk5 h LEU 60 Ca 0.36 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 2dk5 h LEU 60 Cb 0.57 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2dk5 h LEU 60 CO -0.86 0.69 -0.03 -0.33 0.09 0.00 0.00 178.44 178.01 2dk5 h GLU 61 N 0.99 0.00 0.00 1.13 5.08 0.30 0.19 114.58 122.27 2dk5 h GLU 61 Ca 0.26 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.29 2dk5 h GLU 61 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 2dk5 h GLU 61 CO -0.04 0.03 -2.10 0.45 -1.00 0.00 0.00 179.01 176.34 2dk5 n SER 62 N -3.19 0.35 -0.67 1.42 2.88 -0.37 -4.11 113.62 109.93 2dk5 n SER 62 Ca -0.01 0.17 0.01 0.00 -1.33 0.00 0.00 58.87 57.71 2dk5 n SER 62 Cb 0.22 0.60 0.07 0.00 -0.75 0.00 0.00 64.21 64.35 2dk5 n SER 62 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2dk5 n LYS 63 N -2.86 1.63 -2.68 -1.46 5.02 0.30 -4.83 118.16 113.28 2dk5 n LYS 63 Ca -0.26 -0.54 -0.18 0.00 -2.02 0.00 0.00 58.31 55.31 2dk5 n LYS 63 Cb 1.10 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 2dk5 n LYS 63 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2dk5 n LYS 64 N 0.08 -2.75 -0.10 1.97 5.02 -1.14 -4.84 118.16 116.39 2dk5 n LYS 64 Ca 0.05 0.74 -0.11 0.00 -2.02 0.00 0.00 58.31 56.97 2dk5 n LYS 64 Cb 0.37 -5.43 -0.15 0.00 -0.02 0.00 0.00 35.03 29.80 2dk5 n LYS 64 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2dk5 n LEU 65 N -3.23 0.51 0.00 -0.35 4.77 0.00 -4.66 117.00 114.05 2dk5 n LEU 65 Ca -0.15 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.71 2dk5 n LEU 65 Cb 0.62 0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.94 2dk5 n LEU 65 CO 0.31 0.56 0.09 2.30 -1.33 0.00 0.00 177.39 179.33 2dk5 n ILE 66 N -2.85 0.00 -3.64 -0.08 -5.35 -0.89 -1.74 119.36 104.82 2dk5 n ILE 66 Ca -0.34 -1.47 -0.10 0.00 -0.27 0.00 0.00 62.75 60.57 2dk5 n ILE 66 Cb 1.13 0.87 -0.02 0.00 -1.74 0.00 0.00 39.64 39.87 2dk5 n ILE 66 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2dk5 s LYS 67 N -2.69 1.49 -0.22 6.28 -2.85 0.02 -4.17 119.74 117.59 2dk5 s LYS 67 Ca 0.24 -0.74 -0.14 0.00 -1.00 0.00 0.00 55.97 54.33 2dk5 s LYS 67 Cb -0.00 0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 36.31 2dk5 s LYS 67 CO 0.17 -0.66 0.33 0.00 0.10 0.00 0.00 175.35 175.29 2dk5 s ALA 68 N -3.84 3.57 0.11 0.59 0.00 -1.26 -1.98 121.76 118.96 2dk5 s ALA 68 Ca 0.06 -0.64 0.07 0.00 0.00 0.00 0.00 51.96 51.45 2dk5 s ALA 68 Cb -0.03 -2.56 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 2dk5 s ALA 68 CO -0.04 -0.30 -0.18 0.08 0.00 0.00 0.00 175.76 175.32 2dk5 s VAL 69 N 1.30 1.54 -0.35 0.00 1.01 0.54 -4.98 120.40 119.47 2dk5 s VAL 69 Ca 0.16 -1.56 0.01 0.00 0.00 0.00 0.00 61.98 60.59 2dk5 s VAL 69 Cb -0.14 -1.48 0.11 0.00 0.00 0.00 0.00 36.38 34.87 2dk5 s VAL 69 CO 0.07 -0.18 0.13 -0.75 0.00 0.00 0.00 175.10 174.37 2dk5 s LYS 70 N -2.08 1.02 1.01 2.72 2.20 -1.26 -2.43 119.74 120.93 2dk5 s LYS 70 Ca 0.06 -1.48 -0.11 0.00 -0.36 0.00 0.00 55.97 54.07 2dk5 s LYS 70 Cb -0.09 -2.33 0.20 0.00 -1.51 0.00 0.00 37.83 34.11 2dk5 s LYS 70 CO 0.04 -1.02 1.10 0.45 -0.36 0.00 0.00 175.35 175.55 2dk5 s SER 71 N 1.13 2.15 0.51 1.43 0.15 -1.26 -4.85 113.70 112.96 2dk5 s SER 71 Ca 0.12 1.93 0.19 0.00 0.70 0.00 0.00 55.95 58.89 2dk5 s SER 71 Cb -0.20 -2.47 1.27 0.00 -1.71 0.00 0.00 66.02 62.92 2dk5 s SER 71 CO -0.15 -3.54 2.05 1.62 1.20 0.00 0.00 173.24 174.42 2dk5 h VAL 72 N -2.17 0.87 -0.53 4.45 3.04 -2.03 -1.13 116.25 118.75 2dk5 h VAL 72 Ca -0.50 -0.03 -0.34 0.00 -1.01 0.00 0.00 66.70 64.82 2dk5 h VAL 72 Cb 1.29 0.78 -0.16 0.00 -2.01 0.00 0.00 31.29 31.19 2dk5 h VAL 72 CO 0.45 0.02 0.44 0.00 -1.01 0.00 0.00 177.57 177.46 2dk5 n ALA 73 N -2.58 4.94 -3.72 3.17 0.00 -1.26 -4.82 120.51 116.24 2dk5 n ALA 73 Ca 0.05 -1.77 -0.22 0.00 0.00 0.00 0.00 53.44 51.49 2dk5 n ALA 73 Cb 0.36 -1.37 -0.17 0.00 0.00 0.00 0.00 19.45 18.27 2dk5 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dk5 s ALA 74 N -1.97 0.80 -0.09 0.00 0.00 -0.43 -5.04 121.76 115.03 2dk5 s ALA 74 Ca 0.34 -0.17 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 2dk5 s ALA 74 Cb 0.27 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2dk5 s ALA 74 CO 0.01 -0.26 -0.24 0.45 0.00 0.00 0.00 175.76 175.72 2dk5 n SER 75 N 4.65 1.68 -3.22 0.00 2.88 -1.26 -4.84 113.62 113.52 2dk5 n SER 75 Ca -0.15 0.27 -0.25 0.00 -1.33 0.00 0.00 58.87 57.41 2dk5 n SER 75 Cb 0.50 -0.61 -0.06 0.00 -0.75 0.00 0.00 64.21 63.29 2dk5 n SER 75 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2dk5 n LYS 76 N -4.15 1.98 -3.30 -1.46 3.00 -1.26 -5.07 118.16 107.89 2dk5 n LYS 76 Ca -0.10 -4.14 -0.11 0.00 -0.00 0.00 0.00 58.31 53.96 2dk5 n LYS 76 Cb 0.36 -1.90 -0.05 0.00 0.00 0.00 0.00 35.03 33.44 2dk5 n LYS 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2dk5 n LYS 77 N 0.65 0.24 -3.34 1.64 5.02 -1.26 -5.15 118.16 115.95 2dk5 n LYS 77 Ca 0.27 -1.95 -0.10 0.00 -2.02 0.00 0.00 58.31 54.51 2dk5 n LYS 77 Cb 0.48 1.60 -0.07 0.00 -0.02 0.00 0.00 35.03 37.01 2dk5 n LYS 77 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2dk5 s LYS 78 N -2.79 0.37 -0.08 1.97 2.47 -1.26 -4.99 119.74 115.43 2dk5 s LYS 78 Ca 0.23 0.29 -0.13 0.00 -1.56 0.00 0.00 55.97 54.81 2dk5 s LYS 78 Cb 0.01 -0.45 -0.05 0.00 -1.46 0.00 0.00 37.83 35.88 2dk5 s LYS 78 CO 0.17 -0.84 0.32 0.08 0.16 0.00 0.00 175.35 175.24 2dk5 s VAL 79 N 2.52 5.22 -0.22 4.02 1.01 -1.02 -3.10 120.40 128.83 2dk5 s VAL 79 Ca 0.11 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2dk5 s VAL 79 Cb -0.14 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.64 2dk5 s VAL 79 CO -0.23 0.52 -0.12 -0.31 0.00 0.00 0.00 175.10 174.96 2dk5 s TYR 80 N -0.55 3.00 0.41 5.22 1.51 0.11 -0.34 117.35 126.71 2dk5 s TYR 80 Ca 0.20 -1.70 0.03 0.00 -1.01 0.00 0.00 57.07 54.60 2dk5 s TYR 80 Cb -0.15 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 2dk5 s TYR 80 CO 0.08 -0.78 0.08 0.00 -1.11 0.00 0.00 175.55 173.83 2dk5 s MET 81 N 1.28 1.94 0.42 -0.62 0.23 -0.84 -3.12 119.30 118.59 2dk5 s MET 81 Ca 0.01 -2.17 -0.25 0.00 -1.03 0.00 0.00 55.69 52.24 2dk5 s MET 81 Cb -0.16 -0.89 -0.10 0.00 -1.53 0.00 0.00 34.83 32.15 2dk5 s MET 81 CO -0.08 -0.38 1.26 1.28 -2.03 0.00 0.00 175.02 175.08 2dk5 n LEU 82 N -0.95 3.98 0.08 0.18 4.77 -1.26 -0.80 117.00 123.01 2dk5 n LEU 82 Ca -0.08 1.11 -0.10 0.00 -0.03 0.00 0.00 56.01 56.91 2dk5 n LEU 82 Cb 0.66 -1.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.20 2dk5 n LEU 82 CO 0.38 -0.67 0.17 0.22 -1.33 0.00 0.00 177.39 176.17 2dk5 h TYR 83 N 2.08 0.27 0.00 -1.77 3.20 -1.54 -3.19 116.97 116.02 2dk5 h TYR 83 Ca -0.48 -0.16 -0.05 0.00 3.14 0.00 0.00 58.73 61.17 2dk5 h TYR 83 Cb 1.30 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.54 2dk5 h TYR 83 CO 0.48 1.03 -0.26 -0.91 -1.64 0.00 0.00 178.16 176.86 2dk5 h ASN 84 N 0.08 0.00 -4.02 -2.11 4.21 -1.83 -3.44 115.58 108.47 2dk5 h ASN 84 Ca -0.05 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 56.99 2dk5 h ASN 84 Cb 1.64 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.86 2dk5 h ASN 84 CO 0.15 0.26 0.38 -0.76 -1.29 0.00 0.00 177.43 176.17 2dk5 s LEU 85 N -7.67 3.99 0.17 1.61 1.02 -1.20 -5.06 118.68 111.54 2dk5 s LEU 85 Ca -0.02 1.91 0.03 0.00 0.02 0.00 0.00 54.13 56.07 2dk5 s LEU 85 Cb 0.13 -4.41 -0.03 0.00 0.02 0.00 0.00 46.19 41.90 2dk5 s LEU 85 CO 0.66 -0.56 0.29 -0.94 0.02 0.00 0.00 176.35 175.82 2dk5 s SER 86 N -1.87 6.23 0.00 2.29 1.04 -1.26 -4.94 113.70 115.19 2dk5 s SER 86 Ca 0.62 0.11 0.00 0.00 0.48 0.00 0.00 55.95 57.16 2dk5 s SER 86 Cb -0.17 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.11 2dk5 s SER 86 CO 0.21 0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.06 2dk5 n GLY 87 N -0.75 4.21 3.77 7.32 0.00 -1.26 -5.07 105.19 113.41 2dk5 n GLY 87 Ca -0.08 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 2dk5 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk5 s PRO 88 N 1.16 3.73 -0.06 1.61 0.04 -1.26 -5.02 135.00 135.20 2dk5 s PRO 88 Ca 0.00 1.77 -0.19 0.00 0.04 0.00 0.00 61.00 62.61 2dk5 s PRO 88 Cb 0.00 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 2dk5 s PRO 88 CO 0.00 -0.58 0.53 -1.54 0.04 0.00 0.00 177.00 175.46 2dk5 s SER 89 N -1.39 6.84 -0.25 6.66 1.04 -1.26 -5.02 113.70 120.32 2dk5 s SER 89 Ca 0.64 1.00 -0.02 0.00 0.48 0.00 0.00 55.95 58.05 2dk5 s SER 89 Cb -0.28 -2.32 0.08 0.00 0.10 0.00 0.00 66.02 63.59 2dk5 s SER 89 CO 0.34 0.06 0.05 -0.55 0.98 0.00 0.00 173.24 174.13 2dk5 s SER 90 N 0.14 3.48 0.00 7.02 0.15 -1.26 -5.20 113.70 118.04 2dk5 s SER 90 Ca 0.29 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 55.74 2dk5 s SER 90 Cb -0.17 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.38 2dk5 s SER 90 CO 0.14 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.85