#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 1.84 -4.76 1.61 3.41 -1.26 -4.83 113.62 109.62 2dk5 n SER 2 Ca 0.00 0.57 -0.41 0.00 -0.26 0.00 0.00 58.87 58.77 2dk5 n SER 2 Cb 0.00 -0.85 -0.02 0.00 -0.26 0.00 0.00 64.21 63.08 2dk5 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dk5 s SER 3 N -5.79 6.74 -0.24 4.04 1.04 -1.26 -3.48 113.70 114.74 2dk5 s SER 3 Ca -0.18 2.68 -0.01 0.00 0.48 0.00 0.00 55.95 58.92 2dk5 s SER 3 Cb 0.03 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.50 2dk5 s SER 3 CO 0.27 -0.58 0.21 0.61 0.98 0.00 0.00 173.24 174.73 2dk5 n GLY 4 N 1.18 0.49 3.54 7.32 0.00 -1.26 -4.94 105.19 111.52 2dk5 n GLY 4 Ca 0.02 -0.44 -0.54 0.00 0.00 0.00 0.00 46.02 45.06 2dk5 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dk5 n SER 5 N -0.31 0.73 -4.77 1.61 3.41 -1.23 -4.92 113.62 108.14 2dk5 n SER 5 Ca -0.02 1.14 -0.23 0.00 -0.26 0.00 0.00 58.87 59.49 2dk5 n SER 5 Cb 0.52 -1.08 -0.06 0.00 -0.26 0.00 0.00 64.21 63.33 2dk5 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dk5 s SER 6 N 0.08 4.62 0.00 4.04 0.15 -1.26 -5.05 113.70 116.28 2dk5 s SER 6 Ca 0.83 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 56.54 2dk5 s SER 6 Cb -1.05 -0.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 2dk5 s SER 6 CO 0.52 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2dk5 n GLY 7 N -1.28 -1.71 3.65 9.45 0.00 -1.26 -5.05 105.19 108.99 2dk5 n GLY 7 Ca -0.01 -1.54 -0.03 0.00 0.00 0.00 0.00 46.02 44.44 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 -4.00 -0.18 0.50 1.61 1.47 -1.26 -5.18 116.67 109.63 2dk5 s ASP 8 Ca 0.00 -0.20 -0.02 0.00 1.18 0.00 0.00 52.55 53.50 2dk5 s ASP 8 Cb 0.00 0.34 -0.00 0.00 -0.34 0.00 0.00 42.92 42.92 2dk5 s ASP 8 CO 0.00 -0.61 0.75 -0.94 0.68 0.00 0.00 175.17 175.06 2dk5 s SER 9 N -2.77 5.82 0.90 2.11 1.04 -1.26 -5.06 113.70 114.47 2dk5 s SER 9 Ca 0.11 0.50 -0.11 0.00 0.48 0.00 0.00 55.95 56.93 2dk5 s SER 9 Cb 0.00 -1.68 0.11 0.00 0.10 0.00 0.00 66.02 64.55 2dk5 s SER 9 CO -0.02 -0.79 1.02 0.00 0.98 0.00 0.00 173.24 174.42 2dk5 n GLN 10 N -2.25 -0.28 -2.27 4.02 6.02 -1.26 -4.96 117.38 116.39 2dk5 n GLN 10 Ca 0.02 -0.01 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 2dk5 n GLN 10 Cb 0.57 -2.29 0.02 0.00 1.02 0.00 0.00 30.24 29.56 2dk5 n GLN 10 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2dk5 n ASN 11 N -3.46 4.18 0.08 1.08 3.02 -1.26 -4.79 115.26 114.11 2dk5 n ASN 11 Ca 0.11 -3.42 -0.22 0.00 -0.03 0.00 0.00 54.58 51.03 2dk5 n ASN 11 Cb 0.52 -0.40 -0.15 0.00 -0.61 0.00 0.00 39.78 39.14 2dk5 n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dk5 h ALA 12 N 2.37 -0.11 -0.40 5.41 0.00 -2.07 -3.42 119.26 121.05 2dk5 h ALA 12 Ca 0.25 -0.76 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 2dk5 h ALA 12 Cb 1.35 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2dk5 h ALA 12 CO 0.68 0.49 0.17 0.20 0.00 0.00 0.00 179.25 180.79 2dk5 s GLY 13 N -4.50 -0.65 -0.27 0.00 0.00 -1.26 -4.90 107.32 95.74 2dk5 s GLY 13 Ca -0.12 -1.02 -0.08 0.00 0.00 0.00 0.00 44.72 43.49 2dk5 s GLY 13 CO 0.86 4.09 0.11 0.54 0.00 0.00 0.00 173.10 178.70 2dk5 s LYS 14 N 8.46 3.60 0.16 2.90 1.02 -1.26 -5.09 119.74 129.52 2dk5 s LYS 14 Ca 0.87 -0.53 0.04 0.00 0.02 0.00 0.00 55.97 56.37 2dk5 s LYS 14 Cb -0.11 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 2dk5 s LYS 14 CO 0.07 -0.26 0.23 1.41 -0.92 0.00 0.00 175.35 175.88 2dk5 s MET 15 N 1.63 3.22 0.06 1.68 1.75 -1.26 -5.04 119.30 121.34 2dk5 s MET 15 Ca 0.06 -0.71 -0.19 0.00 -1.25 0.00 0.00 55.69 53.59 2dk5 s MET 15 Cb -0.16 -2.83 -0.08 0.00 2.84 0.00 0.00 34.83 34.59 2dk5 s MET 15 CO 0.05 0.50 1.31 -0.22 -0.65 0.00 0.00 175.02 176.02 2dk5 h LYS 16 N 2.23 -0.42 0.00 4.11 3.64 -1.99 -3.46 116.57 120.68 2dk5 h LYS 16 Ca -0.48 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2dk5 h LYS 16 Cb 1.20 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 2dk5 h LYS 16 CO 0.66 -0.28 0.00 0.41 -2.27 0.00 0.00 179.45 177.97 2dk5 n GLY 17 N -1.27 2.19 0.30 5.01 0.00 -1.26 -4.80 105.19 105.35 2dk5 n GLY 17 Ca -0.05 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 3.58 -0.76 -5.00 1.61 7.64 -1.26 -4.55 113.62 114.89 2dk5 n SER 18 Ca 0.00 1.53 -0.18 0.00 1.01 0.00 0.00 58.87 61.23 2dk5 n SER 18 Cb 0.00 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 2dk5 n SER 18 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2dk5 s ASP 19 N -4.82 5.85 -0.32 6.43 1.11 -1.26 -5.05 116.67 118.61 2dk5 s ASP 19 Ca -0.09 -0.27 0.14 0.00 0.18 0.00 0.00 52.55 52.52 2dk5 s ASP 19 Cb 0.08 -1.02 0.47 0.00 1.07 0.00 0.00 42.92 43.51 2dk5 s ASP 19 CO 0.44 -0.56 1.09 0.59 1.18 0.00 0.00 175.17 177.91 2dk5 n ASN 20 N -1.73 2.95 -0.11 0.27 5.03 -1.26 -4.84 115.26 115.57 2dk5 n ASN 20 Ca 0.03 -2.94 -0.24 0.00 0.87 0.00 0.00 54.58 52.30 2dk5 n ASN 20 Cb 0.58 -0.46 -0.11 0.00 -1.02 0.00 0.00 39.78 38.78 2dk5 n ASN 20 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2dk5 n GLN 21 N -0.47 0.59 0.24 3.52 3.00 -1.26 -2.40 117.38 120.60 2dk5 n GLN 21 Ca 0.23 0.45 0.12 0.00 -0.01 0.00 0.00 57.00 57.79 2dk5 n GLN 21 Cb 0.82 -1.66 0.55 0.00 0.00 0.00 0.00 30.24 29.95 2dk5 n GLN 21 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2dk5 h GLU 22 N -0.90 0.00 0.07 -1.09 4.81 -1.98 -2.66 114.58 112.84 2dk5 h GLU 22 Ca -0.47 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.40 2dk5 h GLU 22 Cb 1.47 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.81 2dk5 h GLU 22 CO -0.26 0.15 -2.06 0.36 -0.73 0.00 0.00 179.01 176.47 2dk5 n LYS 23 N -3.32 0.72 0.01 1.92 2.85 -1.26 -3.41 118.16 115.66 2dk5 n LYS 23 Ca 0.00 0.23 0.02 0.00 -1.05 0.00 0.00 58.31 57.51 2dk5 n LYS 23 Cb 0.38 -1.68 0.37 0.00 -0.65 0.00 0.00 35.03 33.44 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 0.04 0.46 0.02 -5.58 5.85 -1.42 -2.30 115.31 112.37 2dk5 h LEU 24 Ca -0.44 -0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.07 2dk5 h LEU 24 Cb 2.02 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 42.95 2dk5 h LEU 24 CO 0.05 0.44 -0.66 0.58 -0.34 0.00 0.00 178.44 178.51 2dk5 h VAL 25 N 0.50 1.43 -0.10 1.05 2.07 -1.64 -3.04 116.25 116.51 2dk5 h VAL 25 Ca 0.12 -2.14 0.03 0.00 0.82 0.00 0.00 66.70 65.53 2dk5 h VAL 25 Cb 0.15 2.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2dk5 h VAL 25 CO -0.01 0.62 0.10 0.22 0.02 0.00 0.00 177.57 178.53 2dk5 h TYR 26 N -0.10 0.00 0.00 1.57 3.20 -1.52 0.05 116.97 120.17 2dk5 h TYR 26 Ca -0.09 0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.57 2dk5 h TYR 26 Cb 1.38 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.62 2dk5 h TYR 26 CO 0.15 0.00 -1.01 0.37 -1.64 0.00 0.00 178.16 176.03 2dk5 h GLN 27 N 0.00 0.00 -0.01 1.82 5.75 -1.42 -3.19 115.11 118.05 2dk5 h GLN 27 Ca 0.05 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.34 2dk5 h GLN 27 Cb 0.25 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.80 2dk5 h GLN 27 CO -0.00 0.96 -0.87 0.82 -2.65 0.00 0.00 178.83 177.08 2dk5 h ILE 28 N 0.00 1.43 0.42 2.39 2.04 -0.91 -2.90 117.51 119.98 2dk5 h ILE 28 Ca -0.02 -2.44 -0.02 0.00 1.00 0.00 0.00 64.86 63.37 2dk5 h ILE 28 Cb 1.77 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 40.22 2dk5 h ILE 28 CO 0.13 0.72 -0.20 0.40 0.00 0.00 0.00 178.15 179.20 2dk5 h ILE 29 N 0.19 0.56 -0.72 -0.67 2.04 -1.37 -2.95 117.51 114.59 2dk5 h ILE 29 Ca -0.06 -0.33 0.07 0.00 1.00 0.00 0.00 64.86 65.54 2dk5 h ILE 29 Cb 1.49 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 2dk5 h ILE 29 CO 0.14 0.06 0.47 1.05 0.00 0.00 0.00 178.15 179.87 2dk5 h GLU 30 N -0.77 0.70 -0.95 2.37 4.11 -1.65 -1.34 114.58 117.04 2dk5 h GLU 30 Ca -0.06 -0.04 0.09 0.00 0.07 0.00 0.00 59.36 59.42 2dk5 h GLU 30 Cb 0.53 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 2dk5 h GLU 30 CO 0.10 0.46 0.61 -0.44 0.07 0.00 0.00 179.01 179.81 2dk5 h ASP 31 N 0.72 0.90 -0.97 3.06 3.32 -1.37 -1.21 116.42 120.87 2dk5 h ASP 31 Ca 0.31 0.02 0.15 0.00 0.02 0.00 0.00 57.03 57.54 2dk5 h ASP 31 Cb 0.30 -0.16 -0.09 0.00 0.22 0.00 0.00 39.33 39.60 2dk5 h ASP 31 CO -0.10 0.53 0.61 0.00 -1.72 0.00 0.00 179.24 178.56 2dk5 h ALA 32 N 1.52 1.69 0.00 3.45 0.00 -1.08 -3.48 119.26 121.37 2dk5 h ALA 32 Ca 0.44 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.38 2dk5 h ALA 32 Cb 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2dk5 h ALA 32 CO -0.20 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.49 2dk5 n GLY 33 N -1.38 -2.67 0.31 0.00 0.00 -0.46 -4.30 105.19 96.70 2dk5 n GLY 33 Ca 0.20 -1.90 0.13 0.00 0.00 0.00 0.00 46.02 44.45 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 0.01 -0.87 1.61 4.21 -1.93 0.32 115.58 118.93 2dk5 h ASN 34 Ca 0.00 0.20 0.21 0.00 1.21 0.00 0.00 56.30 57.91 2dk5 h ASN 34 Cb 0.00 0.26 -0.12 0.00 -1.12 0.00 0.00 38.32 37.34 2dk5 h ASN 34 CO 0.00 -0.15 0.37 0.11 -1.29 0.00 0.00 177.43 176.46 2dk5 h LYS 35 N 0.21 0.39 0.00 0.81 1.79 -1.94 -3.46 116.57 114.37 2dk5 h LYS 35 Ca 0.55 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.00 2dk5 h LYS 35 Cb 1.12 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2dk5 h LYS 35 CO -0.65 0.26 0.00 0.41 -1.08 0.00 0.00 179.45 178.38 2dk5 n GLY 36 N -1.34 -1.79 3.23 3.86 0.00 0.11 -4.98 105.19 104.29 2dk5 n GLY 36 Ca 0.21 -2.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 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 0.09 0.03 -0.61 2.07 -1.00 -4.58 121.20 117.20 2dk5 s ILE 37 Ca 0.00 -0.77 -0.20 0.00 -1.41 0.00 0.00 60.65 58.27 2dk5 s ILE 37 Cb 0.00 -0.97 -0.06 0.00 0.13 0.00 0.00 42.46 41.57 2dk5 s ILE 37 CO 0.00 -0.42 0.60 0.86 -1.91 0.00 0.00 174.94 174.07 2dk5 s TRP 38 N -2.69 3.74 0.30 3.50 -0.00 -1.26 -1.28 118.94 121.25 2dk5 s TRP 38 Ca -0.04 1.26 -0.01 0.00 -0.00 0.00 0.00 56.10 57.31 2dk5 s TRP 38 Cb -0.00 -2.58 0.66 0.00 -0.00 0.00 0.00 33.47 31.55 2dk5 s TRP 38 CO -0.04 0.44 1.53 -1.13 -0.00 0.00 0.00 176.95 177.75 2dk5 n SER 39 N 2.30 -0.18 0.24 5.86 3.41 -1.07 -0.48 113.62 123.71 2dk5 n SER 39 Ca -0.08 1.66 -0.14 0.00 -0.26 0.00 0.00 58.87 60.05 2dk5 n SER 39 Cb 0.51 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 63.80 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 -0.59 -1.69 4.33 3.08 -1.93 -2.81 114.38 114.77 2dk5 h ARG 40 Ca 0.56 0.04 0.49 0.00 0.07 0.00 0.00 59.98 61.14 2dk5 h ARG 40 Cb 1.08 0.13 -0.07 0.00 0.08 0.00 0.00 29.97 31.20 2dk5 h ARG 40 CO -0.94 -0.29 1.28 -0.25 -1.07 0.00 0.00 179.97 178.69 2dk5 n ASP 41 N -5.26 0.00 0.01 7.04 9.92 0.37 0.91 116.55 129.54 2dk5 n ASP 41 Ca -0.11 0.88 -0.11 0.00 -0.53 0.00 0.00 54.79 54.92 2dk5 n ASP 41 Cb 0.30 -0.42 -0.08 0.00 -0.64 0.00 0.00 41.12 40.27 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 1.04 -0.72 2.53 2.07 -1.18 -3.15 116.25 116.83 2dk5 h VAL 42 Ca 0.80 -1.37 0.16 0.00 0.82 0.00 0.00 66.70 67.12 2dk5 h VAL 42 Cb 3.35 1.80 -0.14 0.00 -1.52 0.00 0.00 31.29 34.78 2dk5 h VAL 42 CO -0.01 0.29 -0.11 0.54 0.02 0.00 0.00 177.57 178.30 2dk5 n ARG 43 N -4.84 -0.06 0.33 1.57 1.74 0.26 0.48 116.66 116.13 2dk5 n ARG 43 Ca -0.08 1.10 -0.15 0.00 -0.77 0.00 0.00 57.85 57.96 2dk5 n ARG 43 Cb 0.28 -1.69 -0.08 0.00 -1.02 0.00 0.00 32.46 29.96 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 -0.80 0.29 -1.55 -1.99 -1.64 0.10 116.97 111.39 2dk5 h TYR 44 Ca 0.38 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 61.09 2dk5 h TYR 44 Cb 0.66 0.26 -0.03 0.00 2.00 0.00 0.00 36.73 39.63 2dk5 h TYR 44 CO -0.48 -0.46 -0.46 0.87 -0.00 0.00 0.00 178.16 177.63 2dk5 h LYS 45 N -1.12 -0.77 0.00 4.88 1.79 -0.34 0.44 116.57 121.46 2dk5 h LYS 45 Ca -0.09 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2dk5 h LYS 45 Cb 0.70 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 2dk5 h LYS 45 CO 0.14 -0.51 0.00 -1.13 -1.08 0.00 0.00 179.45 176.87 2dk5 n SER 46 N -5.17 0.00 -3.17 0.86 3.41 0.18 -4.81 113.62 104.91 2dk5 n SER 46 Ca -0.09 0.09 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 2dk5 n SER 46 Cb 0.39 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 64.08 2dk5 n SER 46 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2dk5 n ASN 47 N -1.25 -2.62 -4.53 4.04 5.15 0.26 -4.92 115.26 111.40 2dk5 n ASN 47 Ca 0.05 -0.19 -0.25 0.00 -0.60 0.00 0.00 54.58 53.59 2dk5 n ASN 47 Cb 0.07 -2.25 -0.10 0.00 -0.53 0.00 0.00 39.78 36.98 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 -6.05 2.81 0.66 1.20 1.43 -0.66 -5.01 118.68 113.06 2dk5 s LEU 48 Ca 0.30 -0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 52.49 2dk5 s LEU 48 Cb -0.16 -1.44 -0.00 0.00 0.03 0.00 0.00 46.19 44.62 2dk5 s LEU 48 CO 0.36 0.08 1.11 -2.16 0.23 0.00 0.00 176.35 175.97 2dk5 s PRO 49 N -3.09 2.80 0.23 1.29 0.04 -1.26 -4.57 135.00 130.44 2dk5 s PRO 49 Ca 0.26 1.39 -0.09 0.00 0.04 0.00 0.00 61.00 62.60 2dk5 s PRO 49 Cb -0.07 -1.95 0.35 0.00 0.04 0.00 0.00 34.50 32.87 2dk5 s PRO 49 CO 0.15 -1.25 1.65 1.25 0.04 0.00 0.00 177.00 178.84 2dk5 h LEU 50 N 0.03 -0.33 -2.15 -3.56 7.12 -1.98 0.74 115.31 115.17 2dk5 h LEU 50 Ca -0.47 0.18 0.06 0.00 0.13 0.00 0.00 57.88 57.78 2dk5 h LEU 50 Cb 1.25 0.31 -0.01 0.00 -0.53 0.00 0.00 40.66 41.68 2dk5 h LEU 50 CO 0.54 -0.15 0.29 0.00 -0.13 0.00 0.00 178.44 178.99 2dk5 h THR 51 N 0.10 0.31 0.12 1.05 1.03 -2.00 0.16 112.91 113.69 2dk5 h THR 51 Ca 0.36 0.00 -0.32 0.00 -0.01 0.00 0.00 66.41 66.44 2dk5 h THR 51 Cb 0.61 0.75 -0.01 0.00 -1.07 0.00 0.00 68.15 68.43 2dk5 h THR 51 CO -0.60 0.00 -1.68 -0.33 -0.01 0.00 0.00 175.52 172.90 2dk5 h GLU 52 N 0.00 0.25 -0.20 0.00 4.39 0.07 -3.25 114.58 115.85 2dk5 h GLU 52 Ca 0.10 -0.44 -0.08 0.00 0.34 0.00 0.00 59.36 59.28 2dk5 h GLU 52 Cb 0.68 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 2dk5 h GLU 52 CO -0.00 1.21 -0.23 0.82 -1.16 0.00 0.00 179.01 179.65 2dk5 h ILE 53 N -0.16 1.24 0.27 3.13 5.03 0.11 -0.69 117.51 126.44 2dk5 h ILE 53 Ca -0.36 -1.14 -0.01 0.00 -0.12 0.00 0.00 64.86 63.22 2dk5 h ILE 53 Cb 1.88 1.35 0.00 0.00 -3.03 0.00 0.00 36.82 37.02 2dk5 h ILE 53 CO 0.06 0.36 -0.13 0.78 -0.68 0.00 0.00 178.15 178.54 2dk5 h ASN 54 N 0.32 -0.31 -0.72 1.72 -0.26 -0.88 0.27 115.58 115.71 2dk5 h ASN 54 Ca 0.05 -0.19 -0.03 0.00 -0.56 0.00 0.00 56.30 55.57 2dk5 h ASN 54 Cb 0.58 0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.89 2dk5 h ASN 54 CO 0.04 0.05 0.32 0.07 -1.06 0.00 0.00 177.43 176.85 2dk5 h LYS 55 N -0.70 1.06 0.47 0.81 2.10 -1.58 -1.98 116.57 116.76 2dk5 h LYS 55 Ca -0.04 -0.17 -0.02 0.00 -2.00 0.00 0.00 60.65 58.42 2dk5 h LYS 55 Cb 0.48 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.63 2dk5 h LYS 55 CO 0.06 0.85 -0.23 0.82 -2.00 0.00 0.00 179.45 178.95 2dk5 h ILE 56 N 1.02 0.35 -0.83 0.07 2.04 -1.13 0.29 117.51 119.33 2dk5 h ILE 56 Ca 0.25 -0.50 0.20 0.00 1.00 0.00 0.00 64.86 65.81 2dk5 h ILE 56 Cb 0.16 0.51 -0.12 0.00 -0.74 0.00 0.00 36.82 36.62 2dk5 h ILE 56 CO -0.03 0.06 0.25 -0.07 0.00 0.00 0.00 178.15 178.37 2dk5 h LEU 57 N -1.00 0.09 0.28 1.44 3.38 -0.45 -1.15 115.31 117.89 2dk5 h LEU 57 Ca -0.07 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2dk5 h LEU 57 Cb 0.59 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2dk5 h LEU 57 CO 0.11 -0.06 -0.13 0.11 0.09 0.00 0.00 178.44 178.55 2dk5 h LYS 58 N 0.29 -0.36 -0.75 1.13 1.57 -1.35 -3.04 116.57 114.06 2dk5 h LYS 58 Ca 0.50 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.47 2dk5 h LYS 58 Cb 0.92 0.08 -0.14 0.00 0.08 0.00 0.00 32.23 33.17 2dk5 h LYS 58 CO -0.56 -0.24 -0.13 0.09 -0.57 0.00 0.00 179.45 178.04 2dk5 n ASN 59 N -4.44 -0.21 -0.08 0.86 3.02 0.10 0.17 115.26 114.68 2dk5 n ASN 59 Ca -0.05 1.28 -0.09 0.00 -0.03 0.00 0.00 54.58 55.69 2dk5 n ASN 59 Cb 0.15 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.88 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 0.32 -1.88 3.41 3.38 -1.31 -1.39 115.31 117.85 2dk5 h LEU 60 Ca 0.39 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.33 2dk5 h LEU 60 Cb 0.67 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2dk5 h LEU 60 CO -0.75 0.26 0.38 -0.33 0.09 0.00 0.00 178.44 178.09 2dk5 h GLU 61 N 0.36 0.00 0.04 1.13 5.08 0.19 0.38 114.58 121.76 2dk5 h GLU 61 Ca 0.10 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.16 2dk5 h GLU 61 Cb -0.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2dk5 h GLU 61 CO -0.02 0.00 -1.66 1.03 -1.00 0.00 0.00 179.01 177.36 2dk5 h SER 62 N 0.00 0.13 -0.08 1.42 0.87 -0.75 -3.32 113.55 111.83 2dk5 h SER 62 Ca 0.01 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 2dk5 h SER 62 Cb 0.77 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2dk5 h SER 62 CO -0.00 1.22 0.00 0.29 -0.53 0.00 0.00 176.83 177.81 2dk5 n LYS 63 N -3.22 1.45 -3.58 2.24 5.02 0.13 -4.84 118.16 115.36 2dk5 n LYS 63 Ca -0.18 -0.39 -0.27 0.00 -2.02 0.00 0.00 58.31 55.46 2dk5 n LYS 63 Cb 1.04 -1.51 0.02 0.00 -0.02 0.00 0.00 35.03 34.56 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 0.03 -5.06 -0.08 1.97 4.76 -1.10 -4.86 118.16 113.82 2dk5 n LYS 64 Ca 0.03 0.64 -0.09 0.00 -2.87 0.00 0.00 58.31 56.03 2dk5 n LYS 64 Cb 0.32 -5.50 -0.12 0.00 -1.84 0.00 0.00 35.03 27.89 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 -4.35 0.53 -4.08 -0.35 4.77 -1.05 -4.72 117.00 107.74 2dk5 n LEU 65 Ca -0.00 -0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.82 2dk5 n LEU 65 Cb 0.55 0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.79 2dk5 n LEU 65 CO 0.63 0.48 0.13 0.27 -1.33 0.00 0.00 177.39 177.57 2dk5 s ILE 66 N -2.39 0.00 0.14 -0.08 -4.36 -1.25 -1.81 121.20 111.44 2dk5 s ILE 66 Ca -0.11 -1.60 -0.13 0.00 -0.26 0.00 0.00 60.65 58.55 2dk5 s ILE 66 Cb 0.05 -2.60 0.01 0.00 1.25 0.00 0.00 42.46 41.18 2dk5 s ILE 66 CO 0.62 0.00 0.35 -1.59 0.24 0.00 0.00 174.94 174.56 2dk5 s LYS 67 N -3.17 1.10 -0.27 0.37 -2.85 -0.18 -4.13 119.74 110.60 2dk5 s LYS 67 Ca 0.30 -0.91 -0.10 0.00 -1.00 0.00 0.00 55.97 54.26 2dk5 s LYS 67 Cb -0.00 0.43 -0.05 0.00 -2.06 0.00 0.00 37.83 36.15 2dk5 s LYS 67 CO 0.19 -0.42 0.16 0.00 0.10 0.00 0.00 175.35 175.39 2dk5 s ALA 68 N -3.87 3.46 0.03 0.59 0.00 -1.26 -1.97 121.76 118.74 2dk5 s ALA 68 Ca 0.08 -1.09 0.05 0.00 0.00 0.00 0.00 51.96 51.00 2dk5 s ALA 68 Cb 0.02 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.72 2dk5 s ALA 68 CO -0.07 -0.53 -0.12 0.08 0.00 0.00 0.00 175.76 175.12 2dk5 s VAL 69 N 1.72 3.24 0.23 0.00 1.01 0.90 -4.96 120.40 122.54 2dk5 s VAL 69 Ca 0.07 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 2dk5 s VAL 69 Cb -0.16 -2.40 -0.07 0.00 0.00 0.00 0.00 36.38 33.75 2dk5 s VAL 69 CO 0.09 0.33 0.54 -0.75 0.00 0.00 0.00 175.10 175.31 2dk5 s LYS 70 N -1.52 3.76 -0.01 2.72 2.47 -1.26 -2.47 119.74 123.42 2dk5 s LYS 70 Ca 0.17 0.20 0.01 0.00 -1.56 0.00 0.00 55.97 54.79 2dk5 s LYS 70 Cb -0.11 -2.66 -0.04 0.00 -1.46 0.00 0.00 37.83 33.56 2dk5 s LYS 70 CO 0.07 0.31 -0.00 -1.54 0.16 0.00 0.00 175.35 174.35 2dk5 s SER 71 N -2.49 5.10 0.33 1.43 1.04 -1.26 -4.90 113.70 112.95 2dk5 s SER 71 Ca 0.46 0.01 0.06 0.00 0.48 0.00 0.00 55.95 56.95 2dk5 s SER 71 Cb -0.11 -1.34 0.70 0.00 0.10 0.00 0.00 66.02 65.37 2dk5 s SER 71 CO 0.23 0.29 1.87 1.62 0.98 0.00 0.00 173.24 178.23 2dk5 h VAL 72 N 3.62 0.90 -0.29 5.02 3.04 -2.01 -3.00 116.25 123.52 2dk5 h VAL 72 Ca -0.49 -0.28 0.03 0.00 -1.01 0.00 0.00 66.70 64.94 2dk5 h VAL 72 Cb 1.18 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 30.42 2dk5 h VAL 72 CO 0.57 0.15 -0.17 0.00 -1.01 0.00 0.00 177.57 177.10 2dk5 n ALA 73 N -2.40 -0.19 -3.82 3.17 0.00 -1.26 -4.84 120.51 111.17 2dk5 n ALA 73 Ca 0.17 0.25 -0.05 0.00 0.00 0.00 0.00 53.44 53.81 2dk5 n ALA 73 Cb 0.39 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -4.39 -1.36 -0.74 0.00 0.00 -1.13 -5.05 121.76 109.08 2dk5 s ALA 74 Ca -0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 51.96 51.64 2dk5 s ALA 74 Cb 0.03 0.71 0.38 0.00 0.00 0.00 0.00 23.12 24.24 2dk5 s ALA 74 CO 0.18 -1.04 1.83 -1.13 0.00 0.00 0.00 175.76 175.61 2dk5 n SER 75 N -0.91 6.95 0.00 0.00 3.41 -1.26 -4.31 113.62 117.50 2dk5 n SER 75 Ca -0.05 -3.81 0.00 0.00 -0.26 0.00 0.00 58.87 54.75 2dk5 n SER 75 Cb 0.60 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 2dk5 n SER 75 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2dk5 n LYS 76 N -0.57 3.61 -3.39 4.33 4.01 -1.26 -5.07 118.16 119.82 2dk5 n LYS 76 Ca 0.52 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 58.11 2dk5 n LYS 76 Cb 0.38 -0.60 0.01 0.00 -0.51 0.00 0.00 35.03 34.31 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 -1.09 2.44 -0.08 1.97 3.01 -1.26 -5.13 119.74 119.60 2dk5 s LYS 77 Ca 0.00 -1.64 -0.03 0.00 -1.01 0.00 0.00 55.97 53.29 2dk5 s LYS 77 Cb 0.00 -2.46 0.05 0.00 -1.01 0.00 0.00 37.83 34.41 2dk5 s LYS 77 CO 0.00 -0.52 0.15 0.21 0.51 0.00 0.00 175.35 175.70 2dk5 s LYS 78 N -4.37 0.03 -0.07 1.68 2.20 -1.26 -4.85 119.74 113.10 2dk5 s LYS 78 Ca 0.50 0.53 -0.00 0.00 -0.36 0.00 0.00 55.97 56.64 2dk5 s LYS 78 Cb -0.05 -0.27 -0.03 0.00 -1.51 0.00 0.00 37.83 35.97 2dk5 s LYS 78 CO 0.31 -0.29 -0.03 0.08 -0.36 0.00 0.00 175.35 175.05 2dk5 s VAL 79 N 2.16 4.00 -0.07 4.02 1.01 -1.03 -2.59 120.40 127.90 2dk5 s VAL 79 Ca 0.02 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.65 2dk5 s VAL 79 Cb -0.12 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.60 2dk5 s VAL 79 CO -0.06 0.59 -0.19 -0.31 0.00 0.00 0.00 175.10 175.13 2dk5 s TYR 80 N -0.86 1.99 0.31 5.22 2.02 -0.41 -0.07 117.35 125.55 2dk5 s TYR 80 Ca 0.13 -0.73 0.03 0.00 -0.37 0.00 0.00 57.07 56.13 2dk5 s TYR 80 Cb -0.11 -1.36 -0.02 0.00 -0.40 0.00 0.00 41.96 40.06 2dk5 s TYR 80 CO 0.02 -0.30 0.30 0.00 -1.57 0.00 0.00 175.55 174.00 2dk5 s MET 81 N 0.34 1.68 0.41 -0.62 0.23 -0.83 -2.38 119.30 118.12 2dk5 s MET 81 Ca -0.13 -1.86 -0.26 0.00 -1.03 0.00 0.00 55.69 52.41 2dk5 s MET 81 Cb -0.16 0.35 -0.10 0.00 -1.53 0.00 0.00 34.83 33.39 2dk5 s MET 81 CO 0.05 -0.63 1.32 1.28 -2.03 0.00 0.00 175.02 175.01 2dk5 n LEU 82 N -0.53 4.17 -0.07 0.18 4.77 -1.26 -1.01 117.00 123.25 2dk5 n LEU 82 Ca 0.05 1.14 -0.12 0.00 -0.03 0.00 0.00 56.01 57.04 2dk5 n LEU 82 Cb 0.63 -1.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.14 2dk5 n LEU 82 CO 0.31 -0.47 0.68 0.22 -1.33 0.00 0.00 177.39 176.80 2dk5 h TYR 83 N 2.27 0.49 -0.93 -1.77 3.20 -1.59 -3.12 116.97 115.52 2dk5 h TYR 83 Ca -0.48 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.26 2dk5 h TYR 83 Cb 1.28 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.39 2dk5 h TYR 83 CO 0.49 0.69 0.54 -0.97 -1.64 0.00 0.00 178.16 177.28 2dk5 h ASN 84 N 0.14 1.13 -4.20 -2.11 -1.24 -1.86 -3.43 115.58 104.01 2dk5 h ASN 84 Ca 0.05 -0.08 -0.53 0.00 0.71 0.00 0.00 56.30 56.45 2dk5 h ASN 84 Cb 0.55 -0.29 0.15 0.00 0.73 0.00 0.00 38.32 39.46 2dk5 h ASN 84 CO 0.03 0.88 0.37 -0.76 -1.29 0.00 0.00 177.43 176.66 2dk5 s LEU 85 N -9.98 3.27 -0.10 0.34 1.02 -1.18 -5.03 118.68 107.02 2dk5 s LEU 85 Ca -0.13 2.22 -0.01 0.00 0.02 0.00 0.00 54.13 56.24 2dk5 s LEU 85 Cb 0.17 -4.57 -0.03 0.00 0.02 0.00 0.00 46.19 41.78 2dk5 s LEU 85 CO 0.83 -2.19 -0.06 -0.94 0.02 0.00 0.00 176.35 174.01 2dk5 s SER 86 N -2.31 4.68 0.38 2.29 1.04 -1.26 -4.87 113.70 113.66 2dk5 s SER 86 Ca 0.71 -0.06 0.05 0.00 0.48 0.00 0.00 55.95 57.12 2dk5 s SER 86 Cb -0.26 -1.39 0.06 0.00 0.10 0.00 0.00 66.02 64.53 2dk5 s SER 86 CO 0.46 0.30 0.49 0.61 0.98 0.00 0.00 173.24 176.08 2dk5 n GLY 87 N 2.67 1.72 0.00 7.32 0.00 -1.26 -4.96 105.19 110.69 2dk5 n GLY 87 Ca -0.18 -2.15 0.08 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.80 0.44 -1.58 1.61 -0.04 -1.26 -4.85 135.00 127.52 2dk5 n PRO 88 Ca 0.10 0.03 -0.45 0.00 -0.04 0.00 0.00 63.50 63.14 2dk5 n PRO 88 Cb 0.35 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.29 2dk5 n PRO 88 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dk5 n SER 89 N -1.05 1.11 -3.91 3.54 3.41 -1.26 -4.67 113.62 110.79 2dk5 n SER 89 Ca 0.11 1.18 -0.56 0.00 -0.26 0.00 0.00 58.87 59.34 2dk5 n SER 89 Cb 0.07 -1.26 -0.08 0.00 -0.26 0.00 0.00 64.21 62.67 2dk5 n SER 89 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dk5 n SER 90 N 1.28 0.98 0.00 4.04 7.64 -1.26 -5.20 113.62 121.09 2dk5 n SER 90 Ca 0.10 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.94 2dk5 n SER 90 Cb 0.31 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 2dk5 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64