#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk5 h SER 2 N 0.00 0.00 -4.47 1.61 0.87 -2.11 -3.47 113.55 105.97 2dk5 h SER 2 Ca 0.00 -0.49 -0.48 0.00 -1.23 0.00 0.00 61.79 59.60 2dk5 h SER 2 Cb 0.00 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 62.06 2dk5 h SER 2 CO 0.00 1.08 0.38 -0.44 -0.53 0.00 0.00 176.83 177.33 2dk5 s SER 3 N -6.30 4.57 -0.38 6.23 0.01 -1.26 -5.04 113.70 111.53 2dk5 s SER 3 Ca -0.20 0.97 0.12 0.00 1.31 0.00 0.00 55.95 58.15 2dk5 s SER 3 Cb 0.02 -1.59 0.38 0.00 0.21 0.00 0.00 66.02 65.04 2dk5 s SER 3 CO 0.47 -1.88 0.93 0.61 0.41 0.00 0.00 173.24 173.78 2dk5 n GLY 4 N -2.89 2.23 3.40 3.44 0.00 -1.26 -5.13 105.19 104.98 2dk5 n GLY 4 Ca 0.07 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.73 2dk5 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dk5 n SER 5 N 0.11 -1.98 -4.54 1.61 2.88 -1.26 -4.78 113.62 105.67 2dk5 n SER 5 Ca 0.14 -0.15 -0.58 0.00 -1.33 0.00 0.00 58.87 56.96 2dk5 n SER 5 Cb 0.73 -1.15 -0.08 0.00 -0.75 0.00 0.00 64.21 62.96 2dk5 n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dk5 n SER 6 N -3.80 0.49 0.00 -3.46 3.41 -1.26 -4.93 113.62 104.08 2dk5 n SER 6 Ca 0.02 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 2dk5 n SER 6 Cb 0.57 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 2dk5 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dk5 n GLY 7 N 1.90 -0.27 3.17 5.00 0.00 -1.26 -5.00 105.19 108.73 2dk5 n GLY 7 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.46 1.33 1.06 1.61 -4.77 -1.26 -5.16 116.67 108.02 2dk5 s ASP 8 Ca 0.00 -0.89 -0.15 0.00 -3.30 0.00 0.00 52.55 48.21 2dk5 s ASP 8 Cb 0.00 0.04 0.21 0.00 -1.09 0.00 0.00 42.92 42.08 2dk5 s ASP 8 CO 0.00 -0.34 1.08 -1.20 0.70 0.00 0.00 175.17 175.41 2dk5 n SER 9 N 0.30 -0.52 -0.07 2.11 7.64 -1.26 -5.02 113.62 116.80 2dk5 n SER 9 Ca -0.14 -1.31 -0.05 0.00 1.01 0.00 0.00 58.87 58.38 2dk5 n SER 9 Cb 0.59 -0.87 -0.15 0.00 -1.01 0.00 0.00 64.21 62.78 2dk5 n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dk5 n GLN 10 N -3.69 0.92 -3.32 1.43 0.00 -1.26 -4.98 117.38 106.48 2dk5 n GLN 10 Ca 0.14 -0.04 0.02 0.00 0.00 0.00 0.00 57.00 57.12 2dk5 n GLN 10 Cb 0.50 -1.47 -0.04 0.00 0.00 0.00 0.00 30.24 29.23 2dk5 n GLN 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2dk5 s ASN 11 N -5.06 -0.46 -0.06 2.61 2.20 -1.26 -5.06 114.94 107.86 2dk5 s ASN 11 Ca -0.09 0.58 -0.17 0.00 -0.94 0.00 0.00 52.86 52.24 2dk5 s ASN 11 Cb 0.07 1.50 -0.30 0.00 -2.00 0.00 0.00 41.25 40.52 2dk5 s ASN 11 CO 0.77 -0.09 0.73 0.00 -2.94 0.00 0.00 177.10 175.57 2dk5 h ALA 12 N 7.46 0.04 0.00 3.54 0.00 -2.04 -3.49 119.26 124.77 2dk5 h ALA 12 Ca -0.15 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.82 2dk5 h ALA 12 Cb 1.12 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2dk5 h ALA 12 CO 0.06 0.68 0.00 0.41 0.00 0.00 0.00 179.25 180.40 2dk5 n GLY 13 N 1.73 1.81 3.60 0.00 0.00 -1.26 -5.15 105.19 105.92 2dk5 n GLY 13 Ca -0.20 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.20 2.65 0.22 1.61 2.20 -1.26 -5.08 119.74 119.88 2dk5 s LYS 14 Ca 0.00 -0.64 -0.32 0.00 -0.36 0.00 0.00 55.97 54.65 2dk5 s LYS 14 Cb 0.00 -2.56 -0.13 0.00 -1.51 0.00 0.00 37.83 33.64 2dk5 s LYS 14 CO 0.00 0.63 1.57 0.00 -0.36 0.00 0.00 175.35 177.19 2dk5 n MET 15 N 1.79 2.38 -3.84 4.03 0.00 -1.26 -4.98 117.12 115.25 2dk5 n MET 15 Ca -0.16 0.85 -0.30 0.00 0.00 0.00 0.00 57.70 58.09 2dk5 n MET 15 Cb 0.53 -2.62 -0.15 0.00 0.00 0.00 0.00 33.22 30.98 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 0.34 1.04 -0.42 3.17 2.36 -1.26 -5.09 119.74 119.88 2dk5 s LYS 16 Ca 0.72 -1.20 -0.17 0.00 -2.55 0.00 0.00 55.97 52.77 2dk5 s LYS 16 Cb -0.59 -2.39 0.02 0.00 -1.05 0.00 0.00 37.83 33.82 2dk5 s LYS 16 CO 0.42 -0.88 0.42 0.20 1.55 0.00 0.00 175.35 177.05 2dk5 s GLY 17 N 1.43 1.91 0.56 5.54 0.00 -1.26 -4.92 107.32 110.57 2dk5 s GLY 17 Ca 0.07 -1.53 0.42 0.00 0.00 0.00 0.00 44.72 43.67 2dk5 s GLY 17 CO -0.17 1.13 1.68 1.48 0.00 0.00 0.00 173.10 177.23 2dk5 h SER 18 N 8.71 0.00 -2.75 1.64 4.64 -2.05 -3.38 113.55 120.35 2dk5 h SER 18 Ca -0.27 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.47 2dk5 h SER 18 Cb 1.11 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.16 2dk5 h SER 18 CO 0.78 0.00 -0.50 1.51 -0.87 0.00 0.00 176.83 177.75 2dk5 s ASP 19 N -4.53 6.19 -0.15 4.97 1.47 -1.26 -5.03 116.67 118.33 2dk5 s ASP 19 Ca -0.05 0.16 0.10 0.00 1.18 0.00 0.00 52.55 53.94 2dk5 s ASP 19 Cb 0.24 -1.84 -0.23 0.00 -0.34 0.00 0.00 42.92 40.74 2dk5 s ASP 19 CO 0.82 0.11 0.23 0.59 0.68 0.00 0.00 175.17 177.59 2dk5 n ASN 20 N -0.14 0.90 -0.16 2.11 4.13 -1.26 -4.28 115.26 116.56 2dk5 n ASN 20 Ca -0.07 0.12 -0.04 0.00 1.68 0.00 0.00 54.58 56.28 2dk5 n ASN 20 Cb 0.53 0.18 0.03 0.00 -1.54 0.00 0.00 39.78 38.98 2dk5 n ASN 20 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 2dk5 h GLN 21 N 0.01 -0.08 0.00 3.52 7.50 -1.95 0.51 115.11 124.61 2dk5 h GLN 21 Ca -0.46 0.01 -0.00 0.00 0.50 0.00 0.00 58.65 58.69 2dk5 h GLN 21 Cb 2.09 0.02 -0.00 0.00 0.05 0.00 0.00 27.48 29.64 2dk5 h GLN 21 CO 0.03 -0.06 -0.01 1.49 -1.50 0.00 0.00 178.83 178.79 2dk5 h GLU 22 N -0.09 0.00 0.07 1.46 4.81 -1.97 -1.93 114.58 116.94 2dk5 h GLU 22 Ca 0.24 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2dk5 h GLU 22 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2dk5 h GLU 22 CO -0.56 0.01 -0.04 0.87 -0.73 0.00 0.00 179.01 178.56 2dk5 h LYS 23 N 0.00 -0.10 -0.72 1.92 1.57 -0.36 -2.19 116.57 116.70 2dk5 h LYS 23 Ca -0.00 0.01 0.21 0.00 -1.87 0.00 0.00 60.65 58.99 2dk5 h LYS 23 Cb 0.02 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2dk5 h LYS 23 CO 0.00 0.15 0.58 1.25 -0.57 0.00 0.00 179.45 180.86 2dk5 h LEU 24 N -1.00 0.00 0.16 2.94 5.85 -0.38 0.25 115.31 123.12 2dk5 h LEU 24 Ca -0.01 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.49 2dk5 h LEU 24 Cb 0.29 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.34 2dk5 h LEU 24 CO 0.02 0.00 -1.00 0.58 -0.34 0.00 0.00 178.44 177.69 2dk5 h VAL 25 N 0.00 1.41 0.00 1.05 2.07 -1.43 -3.06 116.25 116.30 2dk5 h VAL 25 Ca 0.34 -2.55 -0.02 0.00 0.82 0.00 0.00 66.70 65.29 2dk5 h VAL 25 Cb 1.49 3.12 -0.00 0.00 -1.52 0.00 0.00 31.29 34.37 2dk5 h VAL 25 CO -0.00 0.73 -0.09 0.22 0.02 0.00 0.00 177.57 178.45 2dk5 h TYR 26 N -0.28 0.00 0.00 1.57 3.20 -0.34 -1.44 116.97 119.68 2dk5 h TYR 26 Ca -0.18 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.53 2dk5 h TYR 26 Cb 1.75 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.99 2dk5 h TYR 26 CO 0.18 0.09 -0.81 1.96 -1.64 0.00 0.00 178.16 177.93 2dk5 h GLN 27 N 0.00 0.00 0.00 1.82 1.08 -1.21 -3.12 115.11 113.69 2dk5 h GLN 27 Ca -0.00 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.03 2dk5 h GLN 27 Cb 0.21 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2dk5 h GLN 27 CO 0.01 0.66 -0.82 0.82 -0.95 0.00 0.00 178.83 178.56 2dk5 h ILE 28 N 0.00 1.57 -0.11 2.54 2.04 -1.17 -2.89 117.51 119.49 2dk5 h ILE 28 Ca -0.03 -2.76 -0.16 0.00 1.00 0.00 0.00 64.86 62.91 2dk5 h ILE 28 Cb 1.57 2.49 0.01 0.00 -0.74 0.00 0.00 36.82 40.15 2dk5 h ILE 28 CO 0.09 0.79 -0.57 0.40 0.00 0.00 0.00 178.15 178.86 2dk5 h ILE 29 N 0.01 1.35 0.00 -0.67 2.04 -1.48 -3.02 117.51 115.74 2dk5 h ILE 29 Ca -0.01 -1.86 -0.02 0.00 1.00 0.00 0.00 64.86 63.96 2dk5 h ILE 29 Cb 1.44 2.15 -0.00 0.00 -0.74 0.00 0.00 36.82 39.67 2dk5 h ILE 29 CO 0.11 0.57 -0.11 1.05 0.00 0.00 0.00 178.15 179.76 2dk5 h GLU 30 N 0.22 0.00 -0.16 2.37 4.11 -1.60 -2.84 114.58 116.69 2dk5 h GLU 30 Ca -0.04 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.17 2dk5 h GLU 30 Cb 1.21 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.47 2dk5 h GLU 30 CO 0.12 0.11 -0.75 0.22 0.07 0.00 0.00 179.01 178.78 2dk5 h ASP 31 N 0.00 0.93 -0.62 3.06 1.82 -1.44 -3.11 116.42 117.06 2dk5 h ASP 31 Ca -0.00 -0.63 0.18 0.00 -0.39 0.00 0.00 57.03 56.19 2dk5 h ASP 31 Cb 0.49 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.20 2dk5 h ASP 31 CO 0.01 1.41 0.46 0.00 -1.61 0.00 0.00 179.24 179.52 2dk5 h ALA 32 N 0.55 2.55 0.00 -0.78 0.00 -1.37 -3.48 119.26 116.73 2dk5 h ALA 32 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2dk5 h ALA 32 Cb 1.38 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2dk5 h ALA 32 CO 0.16 -0.78 0.00 0.41 0.00 0.00 0.00 179.25 179.03 2dk5 n GLY 33 N -1.64 -2.28 0.40 0.00 0.00 -1.18 -4.19 105.19 96.29 2dk5 n GLY 33 Ca 0.12 -1.64 0.19 0.00 0.00 0.00 0.00 46.02 44.69 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 0.45 -0.67 1.61 4.21 -1.92 0.24 115.58 119.49 2dk5 h ASN 34 Ca 0.00 0.05 0.20 0.00 1.21 0.00 0.00 56.30 57.76 2dk5 h ASN 34 Cb 0.00 -0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.14 2dk5 h ASN 34 CO 0.00 0.17 0.54 0.11 -1.29 0.00 0.00 177.43 176.95 2dk5 h LYS 35 N 0.44 0.00 0.00 0.81 1.57 -1.98 -3.48 116.57 113.94 2dk5 h LYS 35 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2dk5 h LYS 35 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2dk5 h LYS 35 CO -0.21 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.08 2dk5 n GLY 36 N -1.63 -2.49 3.12 3.86 0.00 0.82 -5.00 105.19 103.88 2dk5 n GLY 36 Ca 0.13 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.67 0.07 0.02 -0.61 2.07 -0.54 -4.69 121.20 116.87 2dk5 s ILE 37 Ca 0.00 -0.62 -0.28 0.00 -1.41 0.00 0.00 60.65 58.34 2dk5 s ILE 37 Cb 0.00 -0.45 -0.04 0.00 0.13 0.00 0.00 42.46 42.10 2dk5 s ILE 37 CO 0.00 -0.34 0.90 0.86 -1.91 0.00 0.00 174.94 174.45 2dk5 s TRP 38 N -1.29 3.69 0.27 3.50 -0.00 -1.26 -1.01 118.94 122.84 2dk5 s TRP 38 Ca -0.14 1.62 0.02 0.00 -0.00 0.00 0.00 56.10 57.60 2dk5 s TRP 38 Cb -0.07 -3.01 0.65 0.00 -0.00 0.00 0.00 33.47 31.04 2dk5 s TRP 38 CO 0.02 0.10 1.34 -1.13 -0.00 0.00 0.00 176.95 177.28 2dk5 n SER 39 N 3.47 -0.10 0.32 5.86 3.41 -1.03 0.21 113.62 125.76 2dk5 n SER 39 Ca 0.03 1.46 -0.17 0.00 -0.26 0.00 0.00 58.87 59.93 2dk5 n SER 39 Cb 0.51 -0.53 -0.09 0.00 -0.26 0.00 0.00 64.21 63.84 2dk5 n SER 39 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2dk5 h ARG 40 N 0.00 -0.75 -1.85 4.33 3.08 -1.91 -2.46 114.38 114.81 2dk5 h ARG 40 Ca 0.52 0.05 0.54 0.00 0.07 0.00 0.00 59.98 61.16 2dk5 h ARG 40 Cb 1.07 0.17 -0.07 0.00 0.08 0.00 0.00 29.97 31.22 2dk5 h ARG 40 CO -0.81 -0.47 1.36 -3.47 -1.07 0.00 0.00 179.97 175.51 2dk5 n ASP 41 N -5.40 0.00 -0.02 7.04 -0.08 0.13 0.11 116.55 118.34 2dk5 n ASP 41 Ca -0.12 0.94 -0.13 0.00 -1.51 0.00 0.00 54.79 53.96 2dk5 n ASP 41 Cb 0.33 -0.46 -0.10 0.00 2.34 0.00 0.00 41.12 43.22 2dk5 n ASP 41 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2dk5 h VAL 42 N 0.00 1.45 -0.90 5.18 2.07 -1.14 -3.03 116.25 119.88 2dk5 h VAL 42 Ca 0.88 -1.43 0.24 0.00 0.82 0.00 0.00 66.70 67.20 2dk5 h VAL 42 Cb 3.59 2.41 -0.17 0.00 -1.52 0.00 0.00 31.29 35.60 2dk5 h VAL 42 CO -0.01 0.37 -0.01 0.54 0.02 0.00 0.00 177.57 178.47 2dk5 n ARG 43 N -4.80 -0.07 0.15 1.57 1.74 0.31 0.60 116.66 116.15 2dk5 n ARG 43 Ca -0.09 1.35 -0.13 0.00 -0.77 0.00 0.00 57.85 58.21 2dk5 n ARG 43 Cb 0.31 -2.13 -0.08 0.00 -1.02 0.00 0.00 32.46 29.54 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 -0.37 0.39 -1.55 -1.99 -1.60 0.25 116.97 112.10 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 1.06 0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.90 2dk5 h TYR 44 CO -0.49 -0.03 -0.36 0.87 -0.00 0.00 0.00 178.16 178.16 2dk5 h LYS 45 N -0.80 -0.72 0.00 4.88 1.79 -0.48 -1.89 116.57 119.36 2dk5 h LYS 45 Ca -0.04 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2dk5 h LYS 45 Cb 0.51 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 2dk5 h LYS 45 CO 0.07 -0.48 0.00 0.66 -1.08 0.00 0.00 179.45 178.62 2dk5 h SER 46 N -0.74 0.00 -2.15 0.86 4.64 0.04 -3.46 113.55 112.74 2dk5 h SER 46 Ca -0.05 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.91 2dk5 h SER 46 Cb 0.64 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.68 2dk5 h SER 46 CO -0.03 0.00 -0.43 -3.20 -0.87 0.00 0.00 176.83 172.30 2dk5 n ASN 47 N -3.02 -5.24 -4.64 4.97 5.15 0.81 -4.98 115.26 108.30 2dk5 n ASN 47 Ca -0.02 0.10 -0.25 0.00 -0.60 0.00 0.00 54.58 53.81 2dk5 n ASN 47 Cb 0.15 -4.32 -0.08 0.00 -0.53 0.00 0.00 39.78 35.00 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 -4.93 3.22 0.71 1.20 1.43 -0.81 -5.00 118.68 114.50 2dk5 s LEU 48 Ca 0.00 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.46 2dk5 s LEU 48 Cb 0.00 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.42 2dk5 s LEU 48 CO 0.00 0.06 1.10 -2.16 0.23 0.00 0.00 176.35 175.58 2dk5 s PRO 49 N -3.19 2.53 0.22 1.29 0.04 -1.26 -4.54 135.00 130.10 2dk5 s PRO 49 Ca 0.28 1.28 -0.10 0.00 0.04 0.00 0.00 61.00 62.50 2dk5 s PRO 49 Cb -0.08 -1.92 0.33 0.00 0.04 0.00 0.00 34.50 32.86 2dk5 s PRO 49 CO 0.18 -1.44 1.65 1.25 0.04 0.00 0.00 177.00 178.68 2dk5 h LEU 50 N -0.54 -0.35 -2.01 -3.56 7.12 -1.98 0.65 115.31 114.64 2dk5 h LEU 50 Ca -0.45 0.17 0.10 0.00 0.13 0.00 0.00 57.88 57.83 2dk5 h LEU 50 Cb 1.24 0.31 -0.01 0.00 -0.53 0.00 0.00 40.66 41.67 2dk5 h LEU 50 CO 0.53 -0.15 0.40 0.00 -0.13 0.00 0.00 178.44 179.09 2dk5 h THR 51 N 0.09 0.35 0.02 1.05 1.03 -1.99 0.24 112.91 113.70 2dk5 h THR 51 Ca 0.35 0.00 -0.19 0.00 -0.01 0.00 0.00 66.41 66.55 2dk5 h THR 51 Cb 0.57 0.67 -0.02 0.00 -1.07 0.00 0.00 68.15 68.30 2dk5 h THR 51 CO -0.59 0.00 -1.05 -0.33 -0.01 0.00 0.00 175.52 173.54 2dk5 h GLU 52 N 0.00 0.04 -0.35 0.00 4.39 -0.10 -3.18 114.58 115.37 2dk5 h GLU 52 Ca 0.16 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2dk5 h GLU 52 Cb 0.96 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 2dk5 h GLU 52 CO -0.00 1.03 0.17 0.82 -1.16 0.00 0.00 179.01 179.86 2dk5 h ILE 53 N -0.88 1.12 0.20 3.13 5.03 -0.25 0.31 117.51 126.16 2dk5 h ILE 53 Ca -0.28 -0.35 -0.01 0.00 -0.12 0.00 0.00 64.86 64.11 2dk5 h ILE 53 Cb 1.32 0.68 0.00 0.00 -3.03 0.00 0.00 36.82 35.79 2dk5 h ILE 53 CO -0.13 0.14 -0.10 0.78 -0.68 0.00 0.00 178.15 178.17 2dk5 h ASN 54 N 0.48 -0.23 -0.48 1.72 4.21 -0.71 0.17 115.58 120.74 2dk5 h ASN 54 Ca 0.12 -0.27 -0.09 0.00 1.21 0.00 0.00 56.30 57.28 2dk5 h ASN 54 Cb 0.05 0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.29 2dk5 h ASN 54 CO -0.02 0.19 -0.01 0.07 -1.29 0.00 0.00 177.43 176.37 2dk5 h LYS 55 N -0.70 0.91 0.24 0.81 2.10 -1.49 -2.48 116.57 115.96 2dk5 h LYS 55 Ca -0.03 -0.27 -0.01 0.00 -2.00 0.00 0.00 60.65 58.34 2dk5 h LYS 55 Cb 0.49 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2dk5 h LYS 55 CO 0.05 0.91 -0.12 0.82 -2.00 0.00 0.00 179.45 179.11 2dk5 h ILE 56 N 0.84 0.79 -0.86 0.07 2.04 -0.42 -0.23 117.51 119.74 2dk5 h ILE 56 Ca 0.15 -0.77 0.22 0.00 1.00 0.00 0.00 64.86 65.46 2dk5 h ILE 56 Cb 0.52 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 2dk5 h ILE 56 CO 0.03 0.15 0.59 -0.07 0.00 0.00 0.00 178.15 178.85 2dk5 h LEU 57 N -0.75 0.20 0.07 1.44 3.38 -0.67 -2.33 115.31 116.65 2dk5 h LEU 57 Ca -0.03 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2dk5 h LEU 57 Cb 0.50 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2dk5 h LEU 57 CO 0.05 0.08 -0.03 0.11 0.09 0.00 0.00 178.44 178.74 2dk5 h LYS 58 N 0.20 -0.09 -0.89 1.13 1.79 -1.36 -3.15 116.57 114.21 2dk5 h LYS 58 Ca 0.43 0.01 0.35 0.00 -2.18 0.00 0.00 60.65 59.25 2dk5 h LYS 58 Cb 1.36 0.02 -0.16 0.00 -1.58 0.00 0.00 32.23 31.87 2dk5 h LYS 58 CO -0.09 0.04 0.38 0.09 -1.08 0.00 0.00 179.45 178.78 2dk5 n ASN 59 N -4.83 0.22 -0.06 0.86 3.02 -0.11 0.14 115.26 114.51 2dk5 n ASN 59 Ca -0.02 1.49 -0.12 0.00 -0.03 0.00 0.00 54.58 55.90 2dk5 n ASN 59 Cb 0.08 -0.68 -0.06 0.00 -0.61 0.00 0.00 39.78 38.51 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 0.33 -1.83 3.41 3.38 -1.54 -2.45 115.31 116.61 2dk5 h LEU 60 Ca 0.71 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2dk5 h LEU 60 Cb 1.80 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.46 2dk5 h LEU 60 CO -0.72 0.60 0.18 -0.33 0.09 0.00 0.00 178.44 178.26 2dk5 h GLU 61 N 0.05 0.00 0.00 1.13 5.08 0.13 0.19 114.58 121.16 2dk5 h GLU 61 Ca 0.05 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.11 2dk5 h GLU 61 Cb 0.44 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 2dk5 h GLU 61 CO 0.01 0.00 -1.84 0.45 -1.00 0.00 0.00 179.01 176.64 2dk5 n SER 62 N -2.60 0.67 -0.71 1.42 2.88 -0.83 -3.96 113.62 110.50 2dk5 n SER 62 Ca -0.02 0.32 0.03 0.00 -1.33 0.00 0.00 58.87 57.87 2dk5 n SER 62 Cb 0.23 0.22 0.12 0.00 -0.75 0.00 0.00 64.21 64.03 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 -2.96 1.94 -2.11 -1.46 5.02 0.62 -4.86 118.16 114.36 2dk5 n LYS 63 Ca -0.20 -0.97 -0.18 0.00 -2.02 0.00 0.00 58.31 54.94 2dk5 n LYS 63 Cb 1.05 -1.47 -0.03 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 0.22 -1.72 -0.02 1.97 4.76 -1.03 -4.84 118.16 117.50 2dk5 n LYS 64 Ca 0.09 0.92 -0.12 0.00 -2.87 0.00 0.00 58.31 56.33 2dk5 n LYS 64 Cb 0.39 -5.45 -0.14 0.00 -1.84 0.00 0.00 35.03 27.99 2dk5 n LYS 64 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2dk5 n LEU 65 N -2.67 1.30 0.00 -0.35 4.77 -0.96 -4.69 117.00 114.40 2dk5 n LEU 65 Ca -0.20 0.34 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 2dk5 n LEU 65 Cb 0.63 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 2dk5 n LEU 65 CO 0.25 0.52 0.05 2.30 -1.33 0.00 0.00 177.39 179.18 2dk5 n ILE 66 N -3.14 0.00 -3.57 -0.08 -5.35 -1.24 -1.97 119.36 104.01 2dk5 n ILE 66 Ca -0.22 -1.17 -0.11 0.00 -0.27 0.00 0.00 62.75 60.99 2dk5 n ILE 66 Cb 1.06 0.67 -0.03 0.00 -1.74 0.00 0.00 39.64 39.60 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 -2.57 1.34 -0.23 6.28 -2.85 -0.59 -4.24 119.74 116.88 2dk5 s LYS 67 Ca 0.19 -0.65 -0.10 0.00 -1.00 0.00 0.00 55.97 54.41 2dk5 s LYS 67 Cb -0.00 0.56 -0.05 0.00 -2.06 0.00 0.00 37.83 36.28 2dk5 s LYS 67 CO 0.14 -0.58 0.15 0.00 0.10 0.00 0.00 175.35 175.15 2dk5 s ALA 68 N -3.81 3.61 -0.36 0.59 0.00 -1.26 -2.00 121.76 118.53 2dk5 s ALA 68 Ca 0.04 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.18 2dk5 s ALA 68 Cb -0.01 -2.28 0.11 0.00 0.00 0.00 0.00 23.12 20.93 2dk5 s ALA 68 CO -0.08 -0.13 0.10 0.08 0.00 0.00 0.00 175.76 175.73 2dk5 s VAL 69 N 0.93 1.93 -0.86 0.00 1.01 0.34 -4.97 120.40 118.77 2dk5 s VAL 69 Ca 0.07 -2.27 -0.22 0.00 0.00 0.00 0.00 61.98 59.56 2dk5 s VAL 69 Cb -0.13 -2.41 0.07 0.00 0.00 0.00 0.00 36.38 33.91 2dk5 s VAL 69 CO 0.03 -0.66 1.22 -0.75 0.00 0.00 0.00 175.10 174.94 2dk5 s LYS 70 N 0.88 3.41 0.64 2.72 2.36 -1.26 -3.93 119.74 124.55 2dk5 s LYS 70 Ca 0.12 -1.07 -0.06 0.00 -2.55 0.00 0.00 55.97 52.41 2dk5 s LYS 70 Cb -0.20 -4.77 0.03 0.00 -1.05 0.00 0.00 37.83 31.84 2dk5 s LYS 70 CO -0.10 -1.99 0.95 0.45 1.55 0.00 0.00 175.35 176.20 2dk5 s SER 71 N 4.09 5.27 -0.99 1.43 0.15 -1.26 -4.81 113.70 117.58 2dk5 s SER 71 Ca 0.35 0.60 -0.22 0.00 0.70 0.00 0.00 55.95 57.38 2dk5 s SER 71 Cb -0.07 -1.44 -0.26 0.00 -1.71 0.00 0.00 66.02 62.54 2dk5 s SER 71 CO -0.01 -1.29 2.48 0.55 1.20 0.00 0.00 173.24 176.17 2dk5 n VAL 72 N -2.72 -0.00 -3.71 4.45 3.14 -1.26 -4.73 118.33 113.49 2dk5 n VAL 72 Ca 0.06 -0.21 -0.03 0.00 -2.96 0.00 0.00 64.34 61.20 2dk5 n VAL 72 Cb 0.59 -0.35 0.02 0.00 -1.06 0.00 0.00 33.84 33.04 2dk5 n VAL 72 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2dk5 n ALA 73 N 8.66 -1.72 -1.68 1.55 0.00 -1.26 -5.14 120.51 120.92 2dk5 n ALA 73 Ca 0.66 -0.73 -0.45 0.00 0.00 0.00 0.00 53.44 52.92 2dk5 n ALA 73 Cb 0.08 0.45 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 2dk5 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dk5 n ALA 74 N -1.45 1.47 0.34 0.00 0.00 -1.26 -4.83 120.51 114.77 2dk5 n ALA 74 Ca -0.10 0.41 0.22 0.00 0.00 0.00 0.00 53.44 53.98 2dk5 n ALA 74 Cb 0.40 -2.33 1.20 0.00 0.00 0.00 0.00 19.45 18.72 2dk5 n ALA 74 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2dk5 h SER 75 N 4.87 0.00 -1.37 0.00 0.02 -2.00 -2.93 113.55 112.14 2dk5 h SER 75 Ca -0.45 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.83 2dk5 h SER 75 Cb 1.26 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.62 2dk5 h SER 75 CO 0.81 0.00 1.34 0.29 -1.14 0.00 0.00 176.83 178.12 2dk5 n LYS 76 N -3.10 3.71 -3.92 3.45 4.01 -1.26 -4.90 118.16 116.15 2dk5 n LYS 76 Ca -0.03 -3.23 -0.09 0.00 -0.51 0.00 0.00 58.31 54.46 2dk5 n LYS 76 Cb 0.08 -2.39 -0.03 0.00 -0.51 0.00 0.00 35.03 32.18 2dk5 n LYS 76 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2dk5 s LYS 77 N -2.13 1.76 -0.30 1.97 1.02 -1.11 -5.17 119.74 115.78 2dk5 s LYS 77 Ca 0.54 -1.20 -0.11 0.00 0.02 0.00 0.00 55.97 55.22 2dk5 s LYS 77 Cb 0.29 0.55 0.13 0.00 -0.52 0.00 0.00 37.83 38.27 2dk5 s LYS 77 CO -0.18 -0.78 0.69 0.21 -0.92 0.00 0.00 175.35 174.37 2dk5 s LYS 78 N -3.71 0.56 -0.06 1.68 2.20 -1.26 -4.99 119.74 114.17 2dk5 s LYS 78 Ca 0.17 1.35 -0.04 0.00 -0.36 0.00 0.00 55.97 57.10 2dk5 s LYS 78 Cb -0.03 0.75 -0.04 0.00 -1.51 0.00 0.00 37.83 36.99 2dk5 s LYS 78 CO 0.09 -0.18 0.15 0.08 -0.36 0.00 0.00 175.35 175.13 2dk5 s VAL 79 N 2.70 5.34 -0.00 4.02 1.01 -1.25 -2.48 120.40 129.75 2dk5 s VAL 79 Ca -0.06 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 61.94 2dk5 s VAL 79 Cb -0.11 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2dk5 s VAL 79 CO -0.19 0.46 -0.20 -0.31 0.00 0.00 0.00 175.10 174.86 2dk5 s TYR 80 N -1.18 1.76 0.31 5.22 1.51 -0.18 -0.50 117.35 124.30 2dk5 s TYR 80 Ca 0.21 -0.34 -0.10 0.00 -1.01 0.00 0.00 57.07 55.84 2dk5 s TYR 80 Cb -0.12 -1.12 0.01 0.00 -0.11 0.00 0.00 41.96 40.62 2dk5 s TYR 80 CO 0.12 -0.00 0.54 0.00 -1.11 0.00 0.00 175.55 175.10 2dk5 s MET 81 N -0.63 1.83 0.31 -0.62 0.23 -0.85 -1.46 119.30 118.11 2dk5 s MET 81 Ca 0.07 -1.48 -0.29 0.00 -1.03 0.00 0.00 55.69 52.97 2dk5 s MET 81 Cb -0.08 0.49 -0.12 0.00 -1.53 0.00 0.00 34.83 33.59 2dk5 s MET 81 CO -0.00 -0.78 1.41 1.28 -2.03 0.00 0.00 175.02 174.89 2dk5 n LEU 82 N -0.48 3.79 -0.19 0.18 4.77 -1.26 -1.55 117.00 122.26 2dk5 n LEU 82 Ca -0.02 1.18 -0.08 0.00 -0.03 0.00 0.00 56.01 57.06 2dk5 n LEU 82 Cb 0.61 -1.51 0.05 0.00 -2.33 0.00 0.00 43.42 40.24 2dk5 n LEU 82 CO 0.26 -0.27 0.82 0.22 -1.33 0.00 0.00 177.39 177.09 2dk5 h TYR 83 N 3.42 1.10 -0.05 -1.77 3.20 -1.62 -2.68 116.97 118.57 2dk5 h TYR 83 Ca -0.47 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.16 2dk5 h TYR 83 Cb 1.26 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.24 2dk5 h TYR 83 CO 0.54 0.99 -0.21 -0.97 -1.64 0.00 0.00 178.16 176.87 2dk5 h ASN 84 N 0.92 0.08 -3.72 -2.11 -1.24 -1.86 -3.43 115.58 104.24 2dk5 h ASN 84 Ca 0.16 -0.02 -0.50 0.00 0.71 0.00 0.00 56.30 56.66 2dk5 h ASN 84 Cb 0.56 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.57 2dk5 h ASN 84 CO 0.03 0.30 0.36 -0.76 -1.29 0.00 0.00 177.43 176.07 2dk5 s LEU 85 N -8.59 4.62 0.02 0.34 1.02 -1.01 -5.06 118.68 110.02 2dk5 s LEU 85 Ca -0.04 1.93 -0.00 0.00 0.02 0.00 0.00 54.13 56.03 2dk5 s LEU 85 Cb 0.15 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.72 2dk5 s LEU 85 CO 0.72 0.11 0.12 -0.44 0.02 0.00 0.00 176.35 176.87 2dk5 s SER 86 N -0.95 5.88 0.00 2.29 0.01 -1.26 -4.79 113.70 114.88 2dk5 s SER 86 Ca 0.42 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.86 2dk5 s SER 86 Cb -0.26 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.25 2dk5 s SER 86 CO 0.32 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.82 2dk5 n GLY 87 N 0.89 6.14 3.64 3.44 0.00 -1.26 -5.02 105.19 113.03 2dk5 n GLY 87 Ca -0.11 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.23 -0.20 -0.69 1.61 0.04 -1.26 -4.91 135.00 129.36 2dk5 s PRO 88 Ca 0.00 0.30 -0.26 0.00 0.04 0.00 0.00 61.00 61.08 2dk5 s PRO 88 Cb 0.00 -1.68 -0.00 0.00 0.04 0.00 0.00 34.50 32.86 2dk5 s PRO 88 CO 0.00 -3.11 1.65 -1.54 0.04 0.00 0.00 177.00 174.04 2dk5 s SER 89 N -3.59 5.62 -0.31 6.66 1.04 -1.26 -4.96 113.70 116.90 2dk5 s SER 89 Ca 0.67 -0.07 -0.06 0.00 0.48 0.00 0.00 55.95 56.98 2dk5 s SER 89 Cb -0.16 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.45 2dk5 s SER 89 CO 0.57 -2.18 0.07 -0.94 0.98 0.00 0.00 173.24 171.74 2dk5 s SER 90 N 6.47 5.11 0.00 7.02 1.04 -1.26 -5.04 113.70 127.04 2dk5 s SER 90 Ca 0.55 -0.98 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2dk5 s SER 90 Cb -0.10 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.18 2dk5 s SER 90 CO 0.16 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.74