#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk5 n SER 2 N 0.00 5.06 -4.34 1.61 3.41 -1.26 -4.93 113.62 113.17 2dk5 n SER 2 Ca 0.00 -3.74 -0.37 0.00 -0.26 0.00 0.00 58.87 54.50 2dk5 n SER 2 Cb 0.00 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.43 2dk5 n SER 2 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dk5 n SER 3 N -0.62 -0.80 -4.34 4.04 3.41 -1.26 -4.82 113.62 109.23 2dk5 n SER 3 Ca 0.43 -1.20 -0.44 0.00 -0.26 0.00 0.00 58.87 57.40 2dk5 n SER 3 Cb 0.81 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 2dk5 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dk5 n GLY 4 N -1.56 4.05 3.46 5.00 0.00 -1.26 -5.00 105.19 109.89 2dk5 n GLY 4 Ca -0.04 -2.41 -0.35 0.00 0.00 0.00 0.00 46.02 43.22 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 1.53 4.90 0.24 1.61 0.15 -1.26 -5.09 113.70 115.78 2dk5 s SER 5 Ca 0.35 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.83 2dk5 s SER 5 Cb -0.06 -1.84 -0.04 0.00 -1.71 0.00 0.00 66.02 62.37 2dk5 s SER 5 CO -0.04 0.07 0.19 -0.94 1.20 0.00 0.00 173.24 173.72 2dk5 s SER 6 N 0.96 0.56 0.00 5.45 1.04 -1.26 -5.13 113.70 115.32 2dk5 s SER 6 Ca 0.02 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 54.97 2dk5 s SER 6 Cb -0.14 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2dk5 s SER 6 CO 0.02 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.93 2dk5 n GLY 7 N -0.37 -2.14 3.34 7.32 0.00 -1.26 -5.18 105.19 106.90 2dk5 n GLY 7 Ca 0.03 1.04 -0.17 0.00 0.00 0.00 0.00 46.02 46.92 2dk5 n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dk5 s ASP 8 N 0.00 1.70 -0.01 1.61 -4.77 -1.26 -5.17 116.67 108.77 2dk5 s ASP 8 Ca 0.00 -1.29 -0.28 0.00 -3.30 0.00 0.00 52.55 47.67 2dk5 s ASP 8 Cb 0.00 0.04 0.07 0.00 -1.09 0.00 0.00 42.92 41.94 2dk5 s ASP 8 CO 0.00 -0.60 0.64 -0.44 0.70 0.00 0.00 175.17 175.47 2dk5 s SER 9 N -3.33 -0.61 0.04 2.11 0.01 -1.26 -5.14 113.70 105.52 2dk5 s SER 9 Ca 0.32 0.56 -0.30 0.00 1.31 0.00 0.00 55.95 57.83 2dk5 s SER 9 Cb 0.07 0.53 -0.06 0.00 0.21 0.00 0.00 66.02 66.77 2dk5 s SER 9 CO 0.11 -0.65 1.36 -1.10 0.41 0.00 0.00 173.24 173.36 2dk5 s GLN 10 N -1.61 4.32 -0.48 12.44 1.11 -1.26 -4.98 119.66 129.20 2dk5 s GLN 10 Ca -0.09 1.95 0.04 0.00 0.01 0.00 0.00 55.36 57.26 2dk5 s GLN 10 Cb -0.00 -3.45 0.16 0.00 -1.01 0.00 0.00 33.01 28.70 2dk5 s GLN 10 CO 0.06 -0.48 0.35 -0.80 0.01 0.00 0.00 175.29 174.42 2dk5 s ASN 11 N 1.53 2.79 -0.09 5.90 -0.87 -1.26 -4.94 114.94 118.00 2dk5 s ASN 11 Ca 0.63 -3.10 -0.15 0.00 -1.57 0.00 0.00 52.86 48.67 2dk5 s ASN 11 Cb -0.32 -0.83 -0.28 0.00 -0.02 0.00 0.00 41.25 39.80 2dk5 s ASN 11 CO 0.28 -0.18 0.58 0.00 -2.57 0.00 0.00 177.10 175.21 2dk5 h ALA 12 N 5.91 0.16 0.00 0.60 0.00 -2.10 -3.49 119.26 120.34 2dk5 h ALA 12 Ca 0.17 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 54.00 2dk5 h ALA 12 Cb 0.88 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2dk5 h ALA 12 CO 0.46 0.84 0.00 0.41 0.00 0.00 0.00 179.25 180.96 2dk5 n GLY 13 N 1.76 0.41 3.69 0.00 0.00 -1.26 -5.11 105.19 104.68 2dk5 n GLY 13 Ca -0.24 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 2dk5 n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk5 s LYS 14 N 0.00 4.36 -1.12 1.61 -0.14 -1.26 -4.94 119.74 118.25 2dk5 s LYS 14 Ca 0.00 1.65 -0.22 0.00 -1.36 0.00 0.00 55.97 56.05 2dk5 s LYS 14 Cb 0.00 -3.55 -0.00 0.00 -1.68 0.00 0.00 37.83 32.59 2dk5 s LYS 14 CO 0.00 -0.44 1.77 -1.64 -0.76 0.00 0.00 175.35 174.29 2dk5 s MET 15 N 2.19 3.17 0.98 1.68 -1.94 -1.26 -4.96 119.30 119.15 2dk5 s MET 15 Ca 0.55 -1.20 -0.15 0.00 -1.71 0.00 0.00 55.69 53.19 2dk5 s MET 15 Cb -0.24 -5.31 0.18 0.00 2.01 0.00 0.00 34.83 31.47 2dk5 s MET 15 CO 0.22 -2.97 1.18 0.15 -0.01 0.00 0.00 175.02 173.58 2dk5 s LYS 16 N 5.63 0.58 0.00 2.03 3.01 -1.26 -5.01 119.74 124.72 2dk5 s LYS 16 Ca 0.60 0.04 0.00 0.00 -1.01 0.00 0.00 55.97 55.60 2dk5 s LYS 16 Cb -0.01 -1.80 0.00 0.00 -1.01 0.00 0.00 37.83 35.02 2dk5 s LYS 16 CO 0.03 -2.53 0.00 0.41 0.51 0.00 0.00 175.35 173.78 2dk5 n GLY 17 N -2.39 3.31 0.08 -3.33 0.00 -1.26 -4.92 105.19 96.68 2dk5 n GLY 17 Ca 0.10 -1.74 0.12 0.00 0.00 0.00 0.00 46.02 44.50 2dk5 n GLY 17 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dk5 n SER 18 N 0.00 0.72 -4.46 1.61 3.41 -1.26 -4.92 113.62 108.72 2dk5 n SER 18 Ca 0.00 0.14 -0.23 0.00 -0.26 0.00 0.00 58.87 58.51 2dk5 n SER 18 Cb 0.00 0.50 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 2dk5 n SER 18 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2dk5 s ASP 19 N -4.68 3.46 -0.45 4.04 1.01 -1.26 -5.05 116.67 113.74 2dk5 s ASP 19 Ca 0.02 -1.05 0.03 0.00 0.71 0.00 0.00 52.55 52.26 2dk5 s ASP 19 Cb 0.12 -0.28 0.45 0.00 1.01 0.00 0.00 42.92 44.22 2dk5 s ASP 19 CO 0.78 -0.02 1.54 -0.46 0.21 0.00 0.00 175.17 177.21 2dk5 n ASN 20 N -0.61 6.07 -0.08 0.27 0.23 -1.26 -4.69 115.26 115.19 2dk5 n ASN 20 Ca -0.05 -3.77 -0.08 0.00 -0.53 0.00 0.00 54.58 50.15 2dk5 n ASN 20 Cb 0.61 -0.60 -0.03 0.00 -2.08 0.00 0.00 39.78 37.68 2dk5 n ASN 20 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2dk5 n GLN 21 N -0.79 0.50 0.19 -3.83 6.02 -1.26 -3.50 117.38 114.72 2dk5 n GLN 21 Ca 0.52 0.29 0.09 0.00 -0.01 0.00 0.00 57.00 57.89 2dk5 n GLN 21 Cb 0.84 -1.49 0.51 0.00 1.02 0.00 0.00 30.24 31.11 2dk5 n GLN 21 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2dk5 h GLU 22 N -0.99 0.00 0.09 -1.09 4.57 -1.99 0.12 114.58 115.29 2dk5 h GLU 22 Ca 0.00 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.82 2dk5 h GLU 22 Cb 0.86 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.42 2dk5 h GLU 22 CO 0.00 0.00 -2.03 0.36 -1.18 0.00 0.00 179.01 176.16 2dk5 n LYS 23 N -2.25 0.73 -0.00 1.92 2.85 -1.26 -3.41 118.16 116.73 2dk5 n LYS 23 Ca -0.01 0.25 -0.03 0.00 -1.05 0.00 0.00 58.31 57.47 2dk5 n LYS 23 Cb 0.25 -1.69 0.22 0.00 -0.65 0.00 0.00 35.03 33.16 2dk5 n LYS 23 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2dk5 h LEU 24 N 0.05 0.51 0.06 -5.58 5.85 -0.84 -1.77 115.31 113.60 2dk5 h LEU 24 Ca -0.43 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.14 2dk5 h LEU 24 Cb 2.02 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.91 2dk5 h LEU 24 CO 0.06 0.70 -0.03 0.58 -0.34 0.00 0.00 178.44 179.42 2dk5 h VAL 25 N 0.48 1.26 -1.00 1.05 2.07 -1.49 -3.11 116.25 115.51 2dk5 h VAL 25 Ca 0.08 -1.25 0.07 0.00 0.82 0.00 0.00 66.70 66.42 2dk5 h VAL 25 Cb 0.57 2.06 -0.07 0.00 -1.52 0.00 0.00 31.29 32.33 2dk5 h VAL 25 CO 0.04 0.30 0.65 0.22 0.02 0.00 0.00 177.57 178.80 2dk5 h TYR 26 N -0.65 1.20 -0.03 1.57 3.20 -1.57 -0.09 116.97 120.60 2dk5 h TYR 26 Ca -0.01 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.90 2dk5 h TYR 26 Cb 0.56 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 2dk5 h TYR 26 CO 0.11 0.62 0.02 0.37 -1.64 0.00 0.00 178.16 177.64 2dk5 h GLN 27 N 1.17 0.00 0.17 1.82 -0.00 -1.35 -1.61 115.11 115.30 2dk5 h GLN 27 Ca 0.43 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.81 2dk5 h GLN 27 Cb 0.17 0.00 0.02 0.00 0.00 0.00 0.00 27.48 27.67 2dk5 h GLN 27 CO -0.17 0.00 -1.26 0.82 0.00 0.00 0.00 178.83 178.21 2dk5 h ILE 28 N 0.00 1.24 -0.69 2.39 2.04 -0.98 -3.14 117.51 118.37 2dk5 h ILE 28 Ca 0.01 -2.53 0.03 0.00 1.00 0.00 0.00 64.86 63.38 2dk5 h ILE 28 Cb 0.06 2.97 -0.04 0.00 -0.74 0.00 0.00 36.82 39.07 2dk5 h ILE 28 CO -0.00 0.75 0.43 0.40 0.00 0.00 0.00 178.15 179.73 2dk5 h ILE 29 N -0.17 1.08 0.00 -0.67 2.04 -0.76 -1.32 117.51 117.70 2dk5 h ILE 29 Ca -0.24 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 2dk5 h ILE 29 Cb 1.86 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 2dk5 h ILE 29 CO 0.16 0.15 -0.31 1.05 0.00 0.00 0.00 178.15 179.20 2dk5 h GLU 30 N 0.83 0.00 -0.39 2.37 -0.00 -1.44 -2.79 114.58 113.16 2dk5 h GLU 30 Ca 0.28 0.00 -0.12 0.00 -0.00 0.00 0.00 59.36 59.52 2dk5 h GLU 30 Cb 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.77 2dk5 h GLU 30 CO -0.12 0.31 -0.24 -0.44 -0.00 0.00 0.00 179.01 178.53 2dk5 h ASP 31 N 0.00 0.80 -0.92 3.06 5.19 -1.21 -2.96 116.42 120.39 2dk5 h ASP 31 Ca -0.00 -0.30 0.11 0.00 -0.62 0.00 0.00 57.03 56.22 2dk5 h ASP 31 Cb 0.62 -0.22 -0.07 0.00 0.18 0.00 0.00 39.33 39.84 2dk5 h ASP 31 CO 0.04 1.01 0.59 0.00 -3.12 0.00 0.00 179.24 177.76 2dk5 h ALA 32 N 1.05 1.64 0.00 3.45 0.00 -1.14 -3.48 119.26 120.78 2dk5 h ALA 32 Ca 0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2dk5 h ALA 32 Cb 0.76 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2dk5 h ALA 32 CO 0.06 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.87 2dk5 n GLY 33 N -1.40 -2.25 0.33 0.00 0.00 -1.12 -4.22 105.19 96.53 2dk5 n GLY 33 Ca 0.17 -1.72 0.18 0.00 0.00 0.00 0.00 46.02 44.64 2dk5 n GLY 33 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2dk5 h ASN 34 N 0.00 0.40 -0.99 1.61 2.35 -1.91 0.52 115.58 117.55 2dk5 h ASN 34 Ca 0.00 0.17 0.24 0.00 -0.55 0.00 0.00 56.30 56.17 2dk5 h ASN 34 Cb 0.00 0.14 -0.08 0.00 0.05 0.00 0.00 38.32 38.43 2dk5 h ASN 34 CO 0.00 -0.06 0.65 0.11 -1.65 0.00 0.00 177.43 176.48 2dk5 h LYS 35 N 0.37 0.38 0.00 0.81 1.57 -1.95 -3.48 116.57 114.28 2dk5 h LYS 35 Ca 0.64 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 2dk5 h LYS 35 Cb 1.33 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2dk5 h LYS 35 CO -0.57 0.25 0.00 0.41 -0.57 0.00 0.00 179.45 178.97 2dk5 n GLY 36 N -1.50 -2.00 3.25 3.86 0.00 0.18 -4.98 105.19 103.99 2dk5 n GLY 36 Ca 0.23 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.07 0.06 -0.04 -0.61 2.07 -1.02 -4.63 121.20 116.96 2dk5 s ILE 37 Ca 0.00 -0.47 -0.29 0.00 -1.41 0.00 0.00 60.65 58.48 2dk5 s ILE 37 Cb 0.00 -0.63 -0.03 0.00 0.13 0.00 0.00 42.46 41.93 2dk5 s ILE 37 CO 0.00 -0.26 0.95 0.86 -1.91 0.00 0.00 174.94 174.58 2dk5 s TRP 38 N -1.35 3.61 0.33 3.50 -0.00 -1.26 -1.20 118.94 122.57 2dk5 s TRP 38 Ca -0.13 1.60 0.18 0.00 -0.00 0.00 0.00 56.10 57.74 2dk5 s TRP 38 Cb -0.05 -3.09 1.19 0.00 -0.00 0.00 0.00 33.47 31.52 2dk5 s TRP 38 CO 0.04 -0.06 1.45 0.45 -0.00 0.00 0.00 176.95 178.83 2dk5 n SER 39 N 4.20 0.28 0.10 5.86 2.88 -1.22 0.47 113.62 126.18 2dk5 n SER 39 Ca 0.06 1.53 -0.13 0.00 -1.33 0.00 0.00 58.87 59.00 2dk5 n SER 39 Cb 0.50 -0.73 -0.08 0.00 -0.75 0.00 0.00 64.21 63.15 2dk5 n SER 39 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2dk5 h ARG 40 N 0.00 -0.27 -1.34 -1.46 2.43 -1.91 -2.95 114.38 108.88 2dk5 h ARG 40 Ca 0.76 0.02 0.39 0.00 -0.81 0.00 0.00 59.98 60.34 2dk5 h ARG 40 Cb 1.98 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 31.54 2dk5 h ARG 40 CO -0.72 0.08 1.04 -0.44 -1.51 0.00 0.00 179.97 178.42 2dk5 h ASP 41 N -0.68 0.00 0.05 -3.80 5.19 -0.37 0.23 116.42 117.05 2dk5 h ASP 41 Ca -0.03 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2dk5 h ASP 41 Cb 0.48 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.99 2dk5 h ASP 41 CO 0.05 0.00 -0.03 0.58 -3.12 0.00 0.00 179.24 176.72 2dk5 h VAL 42 N 0.00 1.29 -0.79 -1.35 2.07 -1.25 -3.06 116.25 113.16 2dk5 h VAL 42 Ca 0.64 -1.31 0.20 0.00 0.82 0.00 0.00 66.70 67.04 2dk5 h VAL 42 Cb 2.72 2.13 -0.15 0.00 -1.52 0.00 0.00 31.29 34.47 2dk5 h VAL 42 CO -0.01 0.32 -0.05 0.54 0.02 0.00 0.00 177.57 178.39 2dk5 n ARG 43 N -4.84 -0.07 -0.08 1.57 1.74 0.82 0.15 116.66 115.95 2dk5 n ARG 43 Ca -0.09 1.20 -0.12 0.00 -0.77 0.00 0.00 57.85 58.07 2dk5 n ARG 43 Cb 0.29 -1.87 -0.05 0.00 -1.02 0.00 0.00 32.46 29.81 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 0.61 0.86 -1.55 -1.99 -1.61 0.65 116.97 113.95 2dk5 h TYR 44 Ca 0.45 -0.16 -0.04 0.00 2.00 0.00 0.00 58.73 60.97 2dk5 h TYR 44 Cb 0.85 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.45 2dk5 h TYR 44 CO -0.47 0.81 -0.45 0.87 -0.00 0.00 0.00 178.16 178.93 2dk5 h LYS 45 N 0.24 -1.16 0.00 4.88 1.79 0.14 -2.75 116.57 119.71 2dk5 h LYS 45 Ca 0.05 0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2dk5 h LYS 45 Cb 0.67 0.26 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 2dk5 h LYS 45 CO 0.04 -0.77 0.00 0.77 -1.08 0.00 0.00 179.45 178.41 2dk5 h SER 46 N -1.20 0.00 -2.74 0.86 0.02 -0.48 -3.47 113.55 106.54 2dk5 h SER 46 Ca -0.12 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.52 2dk5 h SER 46 Cb 0.93 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.48 2dk5 h SER 46 CO 0.17 0.00 -0.43 -3.20 -1.14 0.00 0.00 176.83 172.23 2dk5 n ASN 47 N -2.96 -4.85 -4.67 3.07 5.15 0.22 -4.99 115.26 106.24 2dk5 n ASN 47 Ca 0.02 -0.09 -0.25 0.00 -0.60 0.00 0.00 54.58 53.66 2dk5 n ASN 47 Cb 0.36 -3.86 -0.07 0.00 -0.53 0.00 0.00 39.78 35.67 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 -4.79 3.30 0.66 1.20 1.43 -0.75 -5.00 118.68 114.72 2dk5 s LEU 48 Ca 0.09 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 2dk5 s LEU 48 Cb -0.04 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.29 2dk5 s LEU 48 CO 0.11 0.04 1.11 -2.16 0.23 0.00 0.00 176.35 175.68 2dk5 s PRO 49 N -3.30 2.78 0.24 1.29 0.04 -1.26 -4.64 135.00 130.14 2dk5 s PRO 49 Ca 0.29 1.38 -0.07 0.00 0.04 0.00 0.00 61.00 62.64 2dk5 s PRO 49 Cb -0.08 -1.95 0.42 0.00 0.04 0.00 0.00 34.50 32.93 2dk5 s PRO 49 CO 0.19 -1.26 1.65 1.25 0.04 0.00 0.00 177.00 178.87 2dk5 h LEU 50 N -0.01 -0.25 -2.05 -3.56 7.12 -1.98 0.72 115.31 115.30 2dk5 h LEU 50 Ca -0.47 0.17 0.10 0.00 0.13 0.00 0.00 57.88 57.81 2dk5 h LEU 50 Cb 1.25 0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 41.66 2dk5 h LEU 50 CO 0.54 -0.13 0.37 0.00 -0.13 0.00 0.00 178.44 179.09 2dk5 h THR 51 N 0.14 0.39 0.05 1.05 1.03 -1.99 0.25 112.91 113.83 2dk5 h THR 51 Ca 0.39 0.00 -0.22 0.00 -0.01 0.00 0.00 66.41 66.58 2dk5 h THR 51 Cb 0.68 0.70 -0.02 0.00 -1.07 0.00 0.00 68.15 68.45 2dk5 h THR 51 CO -0.60 0.00 -1.16 -0.33 -0.01 0.00 0.00 175.52 173.42 2dk5 h GLU 52 N 0.00 0.11 0.00 0.00 4.39 0.05 -3.11 114.58 116.02 2dk5 h GLU 52 Ca 0.16 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 2dk5 h GLU 52 Cb 0.90 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 2dk5 h GLU 52 CO -0.00 1.09 -0.18 0.82 -1.16 0.00 0.00 179.01 179.57 2dk5 h ILE 53 N -0.67 1.11 0.01 3.13 5.03 -0.23 0.26 117.51 126.14 2dk5 h ILE 53 Ca -0.28 -0.64 -0.00 0.00 -0.12 0.00 0.00 64.86 63.82 2dk5 h ILE 53 Cb 1.47 1.35 0.00 0.00 -3.03 0.00 0.00 36.82 36.61 2dk5 h ILE 53 CO -0.06 0.18 -0.00 0.78 -0.68 0.00 0.00 178.15 178.37 2dk5 h ASN 54 N 0.00 -0.01 -0.22 1.72 4.21 -0.69 -0.27 115.58 120.33 2dk5 h ASN 54 Ca -0.00 -0.68 -0.12 0.00 1.21 0.00 0.00 56.30 56.70 2dk5 h ASN 54 Cb 0.33 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.52 2dk5 h ASN 54 CO 0.02 0.69 -0.30 0.07 -1.29 0.00 0.00 177.43 176.62 2dk5 h LYS 55 N -0.70 0.72 0.25 0.81 2.10 -1.45 -2.93 116.57 115.38 2dk5 h LYS 55 Ca -0.00 -0.32 -0.01 0.00 -2.00 0.00 0.00 60.65 58.32 2dk5 h LYS 55 Cb 0.69 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 2dk5 h LYS 55 CO 0.00 0.93 -0.12 0.82 -2.00 0.00 0.00 179.45 179.08 2dk5 h ILE 56 N 0.61 0.65 -1.12 0.07 2.04 -0.57 -0.64 117.51 118.55 2dk5 h ILE 56 Ca 0.07 -0.88 0.33 0.00 1.00 0.00 0.00 64.86 65.38 2dk5 h ILE 56 Cb 0.81 1.05 -0.11 0.00 -0.74 0.00 0.00 36.82 37.82 2dk5 h ILE 56 CO 0.07 0.15 0.71 -0.07 0.00 0.00 0.00 178.15 179.01 2dk5 h LEU 57 N -0.89 0.40 0.07 1.44 3.38 -1.09 -1.79 115.31 116.83 2dk5 h LEU 57 Ca -0.03 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2dk5 h LEU 57 Cb 0.51 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2dk5 h LEU 57 CO 0.06 -0.04 -0.03 0.50 0.09 0.00 0.00 178.44 179.02 2dk5 h LYS 58 N 0.29 -0.09 -0.76 1.13 3.11 -1.51 -3.21 116.57 115.52 2dk5 h LYS 58 Ca 0.69 0.01 0.19 0.00 -2.81 0.00 0.00 60.65 58.73 2dk5 h LYS 58 Cb 1.88 0.02 -0.14 0.00 -1.00 0.00 0.00 32.23 32.98 2dk5 h LYS 58 CO -0.39 -0.03 -0.06 0.09 -2.81 0.00 0.00 179.45 176.26 2dk5 n ASN 59 N -4.84 -0.16 -0.06 4.20 3.02 -0.25 0.17 115.26 117.35 2dk5 n ASN 59 Ca -0.02 1.29 -0.10 0.00 -0.03 0.00 0.00 54.58 55.73 2dk5 n ASN 59 Cb 0.05 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 2dk5 n ASN 59 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2dk5 h LEU 60 N 0.00 0.27 -1.44 3.41 3.38 -1.48 -1.61 115.31 117.84 2dk5 h LEU 60 Ca 0.42 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.35 2dk5 h LEU 60 Cb 0.80 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 2dk5 h LEU 60 CO -0.74 0.24 0.52 -0.33 0.09 0.00 0.00 178.44 178.22 2dk5 h GLU 61 N 0.28 0.00 0.00 1.13 5.08 0.17 1.02 114.58 122.27 2dk5 h GLU 61 Ca 0.08 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.22 2dk5 h GLU 61 Cb 0.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2dk5 h GLU 61 CO -0.02 0.00 -1.49 1.03 -1.00 0.00 0.00 179.01 177.54 2dk5 h SER 62 N 0.00 0.00 -0.21 1.42 0.87 -0.97 -3.31 113.55 111.34 2dk5 h SER 62 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2dk5 h SER 62 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2dk5 h SER 62 CO -0.00 0.79 0.00 0.29 -0.53 0.00 0.00 176.83 177.38 2dk5 n LYS 63 N -3.00 1.96 -2.44 2.24 5.02 0.35 -4.86 118.16 117.43 2dk5 n LYS 63 Ca -0.12 -0.95 -0.15 0.00 -2.02 0.00 0.00 58.31 55.06 2dk5 n LYS 63 Cb 0.94 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.44 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 0.20 -2.09 -0.07 1.97 5.02 -1.08 -4.83 118.16 117.28 2dk5 n LYS 64 Ca 0.09 0.74 -0.14 0.00 -2.02 0.00 0.00 58.31 56.97 2dk5 n LYS 64 Cb 0.40 -5.36 -0.14 0.00 -0.02 0.00 0.00 35.03 29.91 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 -2.90 1.57 -4.17 -0.35 4.77 -1.16 -4.51 117.00 110.26 2dk5 n LEU 65 Ca -0.18 0.07 -0.14 0.00 -0.03 0.00 0.00 56.01 55.74 2dk5 n LEU 65 Cb 0.64 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 2dk5 n LEU 65 CO 0.22 0.68 -0.09 0.27 -1.33 0.00 0.00 177.39 177.13 2dk5 s ILE 66 N -2.53 0.00 0.17 -0.08 -4.36 -1.25 -0.38 121.20 112.76 2dk5 s ILE 66 Ca -0.19 -1.85 -0.13 0.00 -0.26 0.00 0.00 60.65 58.22 2dk5 s ILE 66 Cb 0.07 -2.47 0.01 0.00 1.25 0.00 0.00 42.46 41.32 2dk5 s ILE 66 CO 0.75 0.00 0.38 -1.59 0.24 0.00 0.00 174.94 174.72 2dk5 s LYS 67 N -3.82 1.22 -0.22 0.37 -2.85 0.36 -4.05 119.74 110.75 2dk5 s LYS 67 Ca 0.36 -1.00 -0.13 0.00 -1.00 0.00 0.00 55.97 54.19 2dk5 s LYS 67 Cb 0.04 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.20 2dk5 s LYS 67 CO 0.16 -0.48 0.29 0.00 0.10 0.00 0.00 175.35 175.42 2dk5 s ALA 68 N -3.91 3.58 0.10 0.59 0.00 -1.26 -1.76 121.76 119.10 2dk5 s ALA 68 Ca 0.12 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.46 2dk5 s ALA 68 Cb 0.02 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 2dk5 s ALA 68 CO -0.03 -0.24 -0.18 0.08 0.00 0.00 0.00 175.76 175.39 2dk5 s VAL 69 N 1.17 1.53 -0.12 0.00 1.01 0.28 -4.99 120.40 119.29 2dk5 s VAL 69 Ca 0.14 -1.53 -0.01 0.00 0.00 0.00 0.00 61.98 60.58 2dk5 s VAL 69 Cb -0.14 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 2dk5 s VAL 69 CO 0.06 -0.16 -0.09 -0.75 0.00 0.00 0.00 175.10 174.17 2dk5 s LYS 70 N -2.01 3.30 -0.08 2.72 2.36 -1.26 -2.29 119.74 122.48 2dk5 s LYS 70 Ca 0.05 -0.60 0.03 0.00 -2.55 0.00 0.00 55.97 52.90 2dk5 s LYS 70 Cb -0.09 -2.71 -0.02 0.00 -1.05 0.00 0.00 37.83 33.96 2dk5 s LYS 70 CO 0.04 0.35 -0.17 -1.54 1.55 0.00 0.00 175.35 175.57 2dk5 s SER 71 N 0.04 3.73 -0.45 1.43 1.04 -1.26 -4.84 113.70 113.39 2dk5 s SER 71 Ca -0.02 -0.34 -0.45 0.00 0.48 0.00 0.00 55.95 55.62 2dk5 s SER 71 Cb -0.14 -1.14 -0.19 0.00 0.10 0.00 0.00 66.02 64.65 2dk5 s SER 71 CO 0.03 0.25 1.70 0.55 0.98 0.00 0.00 173.24 176.75 2dk5 n VAL 72 N 2.96 0.07 -3.64 5.02 3.14 -1.26 -4.91 118.33 119.71 2dk5 n VAL 72 Ca -0.18 -0.02 -0.08 0.00 -2.96 0.00 0.00 64.34 61.10 2dk5 n VAL 72 Cb 0.52 -0.68 -0.07 0.00 -1.06 0.00 0.00 33.84 32.56 2dk5 n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2dk5 s ALA 73 N 3.55 -2.01 0.23 1.55 0.00 -1.26 -5.04 121.76 118.78 2dk5 s ALA 73 Ca 1.05 1.93 -0.06 0.00 0.00 0.00 0.00 51.96 54.88 2dk5 s ALA 73 Cb -1.40 -1.48 0.41 0.00 0.00 0.00 0.00 23.12 20.65 2dk5 s ALA 73 CO 0.76 -0.25 1.72 0.00 0.00 0.00 0.00 175.76 177.99 2dk5 h ALA 74 N 4.46 0.95 -3.01 0.00 0.00 -2.06 -3.39 119.26 116.21 2dk5 h ALA 74 Ca -0.28 0.12 -0.59 0.00 0.00 0.00 0.00 54.91 54.16 2dk5 h ALA 74 Cb 1.18 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 2dk5 h ALA 74 CO 0.12 -0.25 -0.28 0.45 0.00 0.00 0.00 179.25 179.29 2dk5 s SER 75 N -5.32 6.43 0.29 0.00 0.15 -1.26 -5.04 113.70 108.94 2dk5 s SER 75 Ca -0.13 0.50 -0.30 0.00 0.70 0.00 0.00 55.95 56.72 2dk5 s SER 75 Cb 0.20 -2.20 -0.12 0.00 -1.71 0.00 0.00 66.02 62.19 2dk5 s SER 75 CO 0.76 0.03 1.61 0.29 1.20 0.00 0.00 173.24 177.12 2dk5 n LYS 76 N 3.94 2.70 -3.92 5.44 4.76 -1.26 -5.00 118.16 124.82 2dk5 n LYS 76 Ca -0.11 0.96 -0.09 0.00 -2.87 0.00 0.00 58.31 56.21 2dk5 n LYS 76 Cb 0.52 -2.75 -0.08 0.00 -1.84 0.00 0.00 35.03 30.87 2dk5 n LYS 76 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2dk5 s LYS 77 N -0.37 0.73 -0.35 1.97 1.02 -1.26 -5.13 119.74 116.34 2dk5 s LYS 77 Ca 0.65 -0.95 0.02 0.00 0.02 0.00 0.00 55.97 55.70 2dk5 s LYS 77 Cb -0.50 0.29 0.10 0.00 -0.52 0.00 0.00 37.83 37.19 2dk5 s LYS 77 CO 0.47 -0.20 0.08 0.21 -0.92 0.00 0.00 175.35 174.99 2dk5 s LYS 78 N -3.52 1.74 0.09 1.68 2.47 -1.26 -4.75 119.74 116.19 2dk5 s LYS 78 Ca 0.03 -1.78 -0.12 0.00 -1.56 0.00 0.00 55.97 52.53 2dk5 s LYS 78 Cb 0.04 -3.28 -0.06 0.00 -1.46 0.00 0.00 37.83 33.06 2dk5 s LYS 78 CO -0.09 -0.93 0.46 0.08 0.16 0.00 0.00 175.35 175.03 2dk5 s VAL 79 N 1.00 4.99 -0.12 4.02 1.01 -0.97 -3.46 120.40 126.87 2dk5 s VAL 79 Ca 0.08 0.67 0.02 0.00 0.00 0.00 0.00 61.98 62.75 2dk5 s VAL 79 Cb -0.20 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.49 2dk5 s VAL 79 CO -0.06 0.33 -0.19 -0.31 0.00 0.00 0.00 175.10 174.86 2dk5 s TYR 80 N -1.36 2.37 0.03 5.22 2.02 -0.34 -0.55 117.35 124.75 2dk5 s TYR 80 Ca 0.33 -1.16 -0.00 0.00 -0.37 0.00 0.00 57.07 55.87 2dk5 s TYR 80 Cb -0.15 -1.65 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 2dk5 s TYR 80 CO 0.18 -0.55 -0.03 0.00 -1.57 0.00 0.00 175.55 173.58 2dk5 s MET 81 N 0.86 0.42 0.42 -0.62 0.23 -0.72 -2.43 119.30 117.46 2dk5 s MET 81 Ca -0.08 -0.81 -0.13 0.00 -1.03 0.00 0.00 55.69 53.65 2dk5 s MET 81 Cb -0.15 0.10 -0.11 0.00 -1.53 0.00 0.00 34.83 33.14 2dk5 s MET 81 CO -0.01 -0.06 -0.17 1.28 -2.03 0.00 0.00 175.02 174.03 2dk5 n LEU 82 N 1.14 -2.94 0.07 0.18 4.77 -1.26 -0.49 117.00 118.46 2dk5 n LEU 82 Ca -0.21 0.43 -0.21 0.00 -0.03 0.00 0.00 56.01 55.99 2dk5 n LEU 82 Cb 0.57 -0.61 -0.14 0.00 -2.33 0.00 0.00 43.42 40.91 2dk5 n LEU 82 CO 0.22 -3.64 0.02 0.22 -1.33 0.00 0.00 177.39 172.88 2dk5 h TYR 83 N -0.12 0.72 -0.50 -1.77 3.20 -0.93 -3.30 116.97 114.28 2dk5 h TYR 83 Ca -0.30 -0.49 -0.04 0.00 3.14 0.00 0.00 58.73 61.04 2dk5 h TYR 83 Cb 1.04 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.24 2dk5 h TYR 83 CO 0.17 1.35 0.14 -0.91 -1.64 0.00 0.00 178.16 177.27 2dk5 h ASN 84 N -0.11 0.68 -2.75 -2.11 2.35 -1.81 -3.41 115.58 108.42 2dk5 h ASN 84 Ca -0.16 -0.10 -0.56 0.00 -0.55 0.00 0.00 56.30 54.93 2dk5 h ASN 84 Cb 1.72 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.89 2dk5 h ASN 84 CO 0.18 0.66 1.03 -0.76 -1.65 0.00 0.00 177.43 176.89 2dk5 s LEU 85 N -9.33 4.21 0.97 1.61 1.02 -1.24 -4.99 118.68 110.92 2dk5 s LEU 85 Ca -0.09 1.94 -0.12 0.00 0.02 0.00 0.00 54.13 55.88 2dk5 s LEU 85 Cb 0.16 -3.53 0.17 0.00 0.02 0.00 0.00 46.19 43.01 2dk5 s LEU 85 CO 0.78 -0.92 1.08 -0.55 0.02 0.00 0.00 176.35 176.77 2dk5 s SER 86 N 2.97 2.72 0.25 2.29 0.15 -1.26 -4.80 113.70 116.03 2dk5 s SER 86 Ca 0.66 1.53 -0.08 0.00 0.70 0.00 0.00 55.95 58.76 2dk5 s SER 86 Cb -0.28 -2.20 0.03 0.00 -1.71 0.00 0.00 66.02 61.87 2dk5 s SER 86 CO 0.24 -3.12 0.48 0.61 1.20 0.00 0.00 173.24 172.65 2dk5 n GLY 87 N -0.54 1.55 0.00 9.45 0.00 -1.26 -4.91 105.19 109.47 2dk5 n GLY 87 Ca 0.06 -1.24 0.06 0.00 0.00 0.00 0.00 46.02 44.91 2dk5 n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dk5 n PRO 88 N -0.35 0.49 -1.61 1.61 -0.04 -1.26 -4.81 135.00 129.02 2dk5 n PRO 88 Ca -0.05 0.00 -0.49 0.00 -0.04 0.00 0.00 63.50 62.92 2dk5 n PRO 88 Cb 0.39 -1.40 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 2dk5 n PRO 88 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dk5 n SER 89 N -0.90 3.00 -4.66 3.54 2.88 -1.26 -4.89 113.62 111.32 2dk5 n SER 89 Ca 0.09 0.74 -0.43 0.00 -1.33 0.00 0.00 58.87 57.95 2dk5 n SER 89 Cb 0.04 -1.35 -0.02 0.00 -0.75 0.00 0.00 64.21 62.13 2dk5 n SER 89 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dk5 s SER 90 N 5.43 6.98 0.00 -3.46 0.01 -1.26 -5.16 113.70 116.23 2dk5 s SER 90 Ca 0.99 1.66 0.00 0.00 1.31 0.00 0.00 55.95 59.90 2dk5 s SER 90 Cb -0.72 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 62.97 2dk5 s SER 90 CO 0.50 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 174.04