#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 -0.23 0.23 1.61 0.15 -1.26 -5.19 113.70 109.01 2dk5 s SER 2 Ca 0.00 0.29 -0.21 0.00 0.70 0.00 0.00 55.95 56.73 2dk5 s SER 2 Cb 0.00 0.25 0.06 0.00 -1.71 0.00 0.00 66.02 64.62 2dk5 s SER 2 CO 0.00 -0.18 0.94 -0.55 1.20 0.00 0.00 173.24 174.65 2dk5 s SER 3 N -0.82 -0.06 0.00 5.45 0.15 -1.26 -5.19 113.70 111.97 2dk5 s SER 3 Ca 0.03 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2dk5 s SER 3 Cb -0.02 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 2dk5 s SER 3 CO -0.04 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 173.85 2dk5 n GLY 4 N -0.59 3.79 3.82 9.45 0.00 -1.26 -5.19 105.19 115.21 2dk5 n GLY 4 Ca -0.05 -0.83 -0.05 0.00 0.00 0.00 0.00 46.02 45.09 2dk5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk5 s SER 5 N 0.00 -0.08 0.22 1.61 0.01 -1.26 -5.19 113.70 109.01 2dk5 s SER 5 Ca 0.00 -0.67 -0.23 0.00 1.31 0.00 0.00 55.95 56.37 2dk5 s SER 5 Cb 0.00 0.58 0.04 0.00 0.21 0.00 0.00 66.02 66.85 2dk5 s SER 5 CO 0.00 -1.12 0.83 -0.94 0.41 0.00 0.00 173.24 172.42 2dk5 s SER 6 N -3.14 -0.22 0.02 2.44 1.04 -1.26 -5.19 113.70 107.39 2dk5 s SER 6 Ca 0.16 -0.52 -0.10 0.00 0.48 0.00 0.00 55.95 55.97 2dk5 s SER 6 Cb -0.03 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.72 2dk5 s SER 6 CO 0.06 -1.15 0.21 -0.83 0.98 0.00 0.00 173.24 172.51 2dk5 s GLY 7 N -2.93 -0.02 -0.15 7.32 0.00 -1.26 -5.16 107.32 105.12 2dk5 s GLY 7 Ca 0.12 -0.08 -0.11 0.00 0.00 0.00 0.00 44.72 44.64 2dk5 s GLY 7 CO 0.05 -0.26 0.37 0.51 0.00 0.00 0.00 173.10 173.77 2dk5 s ASP 8 N -1.74 -0.42 -0.25 1.64 -4.77 -1.26 -5.14 116.67 104.73 2dk5 s ASP 8 Ca -0.09 0.78 -0.03 0.00 -3.30 0.00 0.00 52.55 49.90 2dk5 s ASP 8 Cb -0.04 0.73 0.14 0.00 -1.09 0.00 0.00 42.92 42.66 2dk5 s ASP 8 CO -0.01 -0.16 0.43 -0.94 0.70 0.00 0.00 175.17 175.19 2dk5 s SER 9 N 0.75 -0.14 0.13 2.11 1.04 -1.26 -5.16 113.70 111.18 2dk5 s SER 9 Ca -0.04 0.48 -0.18 0.00 0.48 0.00 0.00 55.95 56.68 2dk5 s SER 9 Cb -0.06 1.36 0.04 0.00 0.10 0.00 0.00 66.02 67.46 2dk5 s SER 9 CO -0.05 -0.28 0.45 0.00 0.98 0.00 0.00 173.24 174.34 2dk5 s GLN 10 N 2.62 1.12 0.23 4.02 -2.07 -1.26 -5.16 119.66 119.16 2dk5 s GLN 10 Ca 0.12 -0.64 -0.23 0.00 -1.82 0.00 0.00 55.36 52.78 2dk5 s GLN 10 Cb -0.15 0.50 -0.09 0.00 -1.09 0.00 0.00 33.01 32.19 2dk5 s GLN 10 CO -0.16 -0.45 0.80 0.54 -1.32 0.00 0.00 175.29 174.70 2dk5 s ASN 11 N -2.78 7.25 0.00 12.60 4.22 -1.26 -4.96 114.94 130.01 2dk5 s ASN 11 Ca 0.02 1.61 0.23 0.00 -2.14 0.00 0.00 52.86 52.58 2dk5 s ASN 11 Cb 0.01 -2.49 0.48 0.00 1.28 0.00 0.00 41.25 40.53 2dk5 s ASN 11 CO -0.12 0.07 1.43 0.00 -2.04 0.00 0.00 177.10 176.43 2dk5 n ALA 12 N 0.97 2.44 -2.18 3.54 0.00 -1.26 -4.68 120.51 119.34 2dk5 n ALA 12 Ca -0.02 -0.90 -0.42 0.00 0.00 0.00 0.00 53.44 52.10 2dk5 n ALA 12 Cb 0.50 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.03 2dk5 n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dk5 n GLY 13 N 1.44 4.77 3.71 0.00 0.00 -1.26 -4.96 105.19 108.89 2dk5 n GLY 13 Ca 0.19 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 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 0.63 2.66 -0.80 1.61 -0.14 -1.26 -5.03 119.74 117.41 2dk5 s LYS 14 Ca 0.43 -0.77 -0.25 0.00 -1.36 0.00 0.00 55.97 54.01 2dk5 s LYS 14 Cb 0.12 -2.60 -0.07 0.00 -1.68 0.00 0.00 37.83 33.59 2dk5 s LYS 14 CO -0.02 0.56 2.10 1.41 -0.76 0.00 0.00 175.35 178.63 2dk5 s MET 15 N -2.25 2.27 0.44 1.68 1.75 -1.26 -4.91 119.30 117.02 2dk5 s MET 15 Ca 0.26 0.18 -0.13 0.00 -1.25 0.00 0.00 55.69 54.75 2dk5 s MET 15 Cb -0.12 -4.86 -0.11 0.00 2.84 0.00 0.00 34.83 32.59 2dk5 s MET 15 CO 0.18 -3.58 -0.18 0.36 -0.65 0.00 0.00 175.02 171.15 2dk5 n LYS 16 N 8.90 0.00 0.00 4.11 0.00 -1.26 -4.88 118.16 125.04 2dk5 n LYS 16 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.70 2dk5 n LYS 16 Cb 0.47 -0.74 0.00 0.00 -0.00 0.00 0.00 35.03 34.76 2dk5 n LYS 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dk5 n GLY 17 N 1.99 2.85 2.43 2.58 0.00 -1.26 -4.98 105.19 108.80 2dk5 n GLY 17 Ca 0.05 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 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 7.55 -4.31 1.61 3.41 -1.26 -4.94 113.62 115.68 2dk5 n SER 18 Ca 0.00 -3.73 -0.25 0.00 -0.26 0.00 0.00 58.87 54.63 2dk5 n SER 18 Cb 0.00 -1.01 -0.13 0.00 -0.26 0.00 0.00 64.21 62.81 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 -1.45 2.74 -0.13 4.04 1.01 -1.26 -5.04 116.67 116.57 2dk5 s ASP 19 Ca 0.59 -0.70 0.17 0.00 0.71 0.00 0.00 52.55 53.32 2dk5 s ASP 19 Cb 0.47 -0.16 -0.24 0.00 1.01 0.00 0.00 42.92 44.00 2dk5 s ASP 19 CO -0.11 0.09 0.17 -0.46 0.21 0.00 0.00 175.17 175.08 2dk5 n ASN 20 N 1.05 0.65 -0.08 0.27 6.94 -1.26 -4.25 115.26 118.57 2dk5 n ASN 20 Ca -0.19 0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.27 2dk5 n ASN 20 Cb 0.53 1.23 -0.04 0.00 -2.36 0.00 0.00 39.78 39.15 2dk5 n ASN 20 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 2dk5 h GLN 21 N 0.00 0.38 0.00 -3.83 4.20 -1.99 -0.31 115.11 113.55 2dk5 h GLN 21 Ca -0.33 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.31 2dk5 h GLN 21 Cb 1.71 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.43 2dk5 h GLN 21 CO 0.02 0.43 0.00 1.49 -0.67 0.00 0.00 178.83 180.10 2dk5 h GLU 22 N 0.25 0.00 0.00 1.46 4.81 -1.97 -2.90 114.58 116.23 2dk5 h GLU 22 Ca 0.08 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2dk5 h GLU 22 Cb 0.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 2dk5 h GLU 22 CO -0.01 0.00 -0.16 0.87 -0.73 0.00 0.00 179.01 178.98 2dk5 h LYS 23 N 0.00 0.00 -1.14 1.92 1.57 -1.58 -2.92 116.57 114.41 2dk5 h LYS 23 Ca 0.00 0.00 0.32 0.00 -1.87 0.00 0.00 60.65 59.10 2dk5 h LYS 23 Cb 0.33 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.56 2dk5 h LYS 23 CO 0.00 0.20 0.76 1.25 -0.57 0.00 0.00 179.45 181.10 2dk5 h LEU 24 N -1.00 0.27 -0.04 2.94 5.85 -1.05 0.28 115.31 122.56 2dk5 h LEU 24 Ca -0.02 0.06 -0.19 0.00 0.84 0.00 0.00 57.88 58.57 2dk5 h LEU 24 Cb 0.32 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.39 2dk5 h LEU 24 CO -0.01 0.02 -0.72 0.58 -0.34 0.00 0.00 178.44 177.97 2dk5 h VAL 25 N 0.22 1.36 -0.34 1.05 2.07 -1.64 -3.07 116.25 115.90 2dk5 h VAL 25 Ca 0.62 -2.06 -0.03 0.00 0.82 0.00 0.00 66.70 66.05 2dk5 h VAL 25 Cb 1.93 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 34.08 2dk5 h VAL 25 CO -0.22 0.62 0.07 0.22 0.02 0.00 0.00 177.57 178.29 2dk5 h TYR 26 N 0.15 0.50 0.00 1.57 3.20 -0.34 -1.45 116.97 120.59 2dk5 h TYR 26 Ca -0.08 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.70 2dk5 h TYR 26 Cb 1.40 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 2dk5 h TYR 26 CO 0.12 0.44 -0.28 1.96 -1.64 0.00 0.00 178.16 178.76 2dk5 h GLN 27 N 0.49 0.00 0.00 1.82 1.08 -1.05 -2.64 115.11 114.81 2dk5 h GLN 27 Ca 0.11 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.11 2dk5 h GLN 27 Cb 0.20 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 2dk5 h GLN 27 CO -0.00 0.28 -1.07 0.82 -0.95 0.00 0.00 178.83 177.91 2dk5 h ILE 28 N 0.00 1.32 -0.05 2.54 2.04 -1.19 -3.13 117.51 119.03 2dk5 h ILE 28 Ca -0.00 -2.97 -0.05 0.00 1.00 0.00 0.00 64.86 62.83 2dk5 h ILE 28 Cb 0.76 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 2dk5 h ILE 28 CO 0.04 0.75 -0.18 0.40 0.00 0.00 0.00 178.15 179.16 2dk5 h ILE 29 N 0.00 1.44 0.00 -0.67 2.04 -1.16 -3.11 117.51 116.05 2dk5 h ILE 29 Ca -0.07 -1.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.19 2dk5 h ILE 29 Cb 1.73 2.33 -0.00 0.00 -0.74 0.00 0.00 36.82 40.14 2dk5 h ILE 29 CO 0.10 0.44 -0.10 1.05 0.00 0.00 0.00 178.15 179.64 2dk5 h GLU 30 N -0.31 0.00 -0.32 2.37 4.11 -1.60 -2.44 114.58 116.39 2dk5 h GLU 30 Ca -0.01 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 2dk5 h GLU 30 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2dk5 h GLU 30 CO 0.04 0.10 -0.36 -0.44 0.07 0.00 0.00 179.01 178.42 2dk5 h ASP 31 N 0.00 0.76 -0.76 3.06 3.32 -1.49 -3.00 116.42 118.31 2dk5 h ASP 31 Ca -0.00 -0.33 0.06 0.00 0.02 0.00 0.00 57.03 56.78 2dk5 h ASP 31 Cb 0.35 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.64 2dk5 h ASP 31 CO 0.01 1.04 0.50 0.00 -1.72 0.00 0.00 179.24 179.07 2dk5 h ALA 32 N 1.00 1.65 0.00 3.45 0.00 -1.37 -3.48 119.26 120.50 2dk5 h ALA 32 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2dk5 h ALA 32 Cb 0.89 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2dk5 h ALA 32 CO 0.08 0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2dk5 n GLY 33 N -1.44 -1.82 0.31 0.00 0.00 -1.13 -4.22 105.19 96.89 2dk5 n GLY 33 Ca 0.11 -1.59 0.09 0.00 0.00 0.00 0.00 46.02 44.63 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 0.52 0.00 1.61 2.35 -1.91 0.36 115.58 118.50 2dk5 h ASN 34 Ca 0.00 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2dk5 h ASN 34 Cb 0.00 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2dk5 h ASN 34 CO 0.00 0.18 0.44 0.07 -1.65 0.00 0.00 177.43 176.47 2dk5 h LYS 35 N 0.59 0.00 0.00 0.81 2.10 -1.94 -3.47 116.57 114.66 2dk5 h LYS 35 Ca 0.50 0.00 0.12 0.00 -2.00 0.00 0.00 60.65 59.27 2dk5 h LYS 35 Cb 0.77 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.07 2dk5 h LYS 35 CO -0.40 0.00 -0.16 0.41 -2.00 0.00 0.00 179.45 177.30 2dk5 n GLY 36 N -1.26 -1.97 3.06 0.07 0.00 0.12 -4.99 105.19 100.22 2dk5 n GLY 36 Ca -0.02 -1.34 -0.08 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.09 0.15 -0.16 -0.61 2.07 -0.25 -4.68 121.20 116.64 2dk5 s ILE 37 Ca 0.00 -1.27 -0.21 0.00 -1.41 0.00 0.00 60.65 57.76 2dk5 s ILE 37 Cb 0.00 -0.87 -0.03 0.00 0.13 0.00 0.00 42.46 41.69 2dk5 s ILE 37 CO 0.00 -0.70 0.62 0.86 -1.91 0.00 0.00 174.94 173.81 2dk5 s TRP 38 N -2.62 3.44 0.36 3.50 -0.00 -1.26 -0.87 118.94 121.48 2dk5 s TRP 38 Ca -0.05 0.99 0.29 0.00 -0.00 0.00 0.00 56.10 57.32 2dk5 s TRP 38 Cb -0.01 -2.76 1.21 0.00 -0.00 0.00 0.00 33.47 31.90 2dk5 s TRP 38 CO -0.05 -0.07 1.21 0.45 -0.00 0.00 0.00 176.95 178.49 2dk5 n SER 39 N 4.58 0.12 0.27 5.86 2.88 -1.21 0.75 113.62 126.88 2dk5 n SER 39 Ca -0.02 1.00 -0.13 0.00 -1.33 0.00 0.00 58.87 58.39 2dk5 n SER 39 Cb 0.50 -0.49 -0.07 0.00 -0.75 0.00 0.00 64.21 63.40 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 -0.71 -1.65 -1.46 3.08 -1.91 -3.03 114.38 108.70 2dk5 h ARG 40 Ca 0.70 0.05 0.50 0.00 0.07 0.00 0.00 59.98 61.30 2dk5 h ARG 40 Cb 2.39 0.16 -0.09 0.00 0.08 0.00 0.00 29.97 32.51 2dk5 h ARG 40 CO -0.27 -0.42 1.16 -3.47 -1.07 0.00 0.00 179.97 175.89 2dk5 n ASP 41 N -5.28 0.06 0.09 7.04 -0.08 0.23 0.77 116.55 119.39 2dk5 n ASP 41 Ca -0.10 1.04 -0.12 0.00 -1.51 0.00 0.00 54.79 54.09 2dk5 n ASP 41 Cb 0.32 -0.52 -0.08 0.00 2.34 0.00 0.00 41.12 43.18 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 0.84 -0.73 5.18 2.07 -1.41 -2.77 116.25 119.43 2dk5 h VAL 42 Ca 0.85 -0.87 0.22 0.00 0.82 0.00 0.00 66.70 67.72 2dk5 h VAL 42 Cb 3.22 1.31 -0.14 0.00 -1.52 0.00 0.00 31.29 34.16 2dk5 h VAL 42 CO -0.15 0.18 0.08 0.54 0.02 0.00 0.00 177.57 178.24 2dk5 n ARG 43 N -5.01 -0.06 0.07 1.57 1.74 0.23 0.99 116.66 116.20 2dk5 n ARG 43 Ca -0.09 1.09 -0.10 0.00 -0.77 0.00 0.00 57.85 57.98 2dk5 n ARG 43 Cb 0.26 -1.76 -0.07 0.00 -1.02 0.00 0.00 32.46 29.87 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 -0.24 0.52 -1.55 -1.99 -1.56 -1.56 116.97 110.58 2dk5 h TYR 44 Ca 0.48 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 61.18 2dk5 h TYR 44 Cb 1.04 0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.85 2dk5 h TYR 44 CO -0.31 0.15 -0.36 0.87 -0.00 0.00 0.00 178.16 178.51 2dk5 h LYS 45 N -0.89 -0.80 0.00 4.88 1.79 0.05 -1.51 116.57 120.08 2dk5 h LYS 45 Ca -0.03 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2dk5 h LYS 45 Cb 0.50 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 2dk5 h LYS 45 CO 0.04 -0.53 0.00 -1.13 -1.08 0.00 0.00 179.45 176.75 2dk5 n SER 46 N -4.61 0.00 -3.26 0.86 3.41 0.28 -4.81 113.62 105.49 2dk5 n SER 46 Ca -0.10 0.47 -0.22 0.00 -0.26 0.00 0.00 58.87 58.76 2dk5 n SER 46 Cb 0.35 -0.48 -0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2dk5 n SER 46 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2dk5 n ASN 47 N -1.48 -3.81 -4.49 4.04 3.02 -0.57 -4.95 115.26 107.03 2dk5 n ASN 47 Ca 0.01 -0.32 -0.26 0.00 -0.03 0.00 0.00 54.58 53.98 2dk5 n ASN 47 Cb 0.04 -3.16 -0.10 0.00 -0.61 0.00 0.00 39.78 35.95 2dk5 n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dk5 s LEU 48 N -6.40 2.65 0.70 3.41 1.43 -0.86 -5.01 118.68 114.60 2dk5 s LEU 48 Ca 0.35 -0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 2dk5 s LEU 48 Cb -0.19 -1.29 0.02 0.00 0.03 0.00 0.00 46.19 44.76 2dk5 s LEU 48 CO 0.44 0.08 1.10 -2.16 0.23 0.00 0.00 176.35 176.04 2dk5 s PRO 49 N -3.05 2.62 0.23 1.29 0.04 -1.26 -4.55 135.00 130.33 2dk5 s PRO 49 Ca 0.25 1.31 -0.08 0.00 0.04 0.00 0.00 61.00 62.53 2dk5 s PRO 49 Cb -0.07 -1.93 0.39 0.00 0.04 0.00 0.00 34.50 32.93 2dk5 s PRO 49 CO 0.13 -1.38 1.66 1.25 0.04 0.00 0.00 177.00 178.70 2dk5 h LEU 50 N -0.37 -0.23 -2.28 -3.56 7.12 -1.98 0.75 115.31 114.76 2dk5 h LEU 50 Ca -0.46 0.17 0.04 0.00 0.13 0.00 0.00 57.88 57.76 2dk5 h LEU 50 Cb 1.24 0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 41.65 2dk5 h LEU 50 CO 0.53 -0.12 0.21 0.00 -0.13 0.00 0.00 178.44 178.93 2dk5 h THR 51 N 0.15 0.31 0.16 1.05 1.03 -1.99 0.18 112.91 113.80 2dk5 h THR 51 Ca 0.38 0.00 -0.36 0.00 -0.01 0.00 0.00 66.41 66.43 2dk5 h THR 51 Cb 0.65 0.82 -0.00 0.00 -1.07 0.00 0.00 68.15 68.55 2dk5 h THR 51 CO -0.58 0.00 -1.84 -0.33 -0.01 0.00 0.00 175.52 172.76 2dk5 h GLU 52 N 0.00 0.33 -0.04 0.00 4.39 0.10 -3.13 114.58 116.23 2dk5 h GLU 52 Ca 0.07 -0.57 -0.12 0.00 0.34 0.00 0.00 59.36 59.08 2dk5 h GLU 52 Cb 0.50 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2dk5 h GLU 52 CO -0.00 1.26 -0.52 0.82 -1.16 0.00 0.00 179.01 179.41 2dk5 h ILE 53 N 0.09 1.37 -0.04 3.13 5.03 0.11 0.57 117.51 127.77 2dk5 h ILE 53 Ca -0.37 -1.79 -0.05 0.00 -0.12 0.00 0.00 64.86 62.53 2dk5 h ILE 53 Cb 2.07 1.92 0.00 0.00 -3.03 0.00 0.00 36.82 37.78 2dk5 h ILE 53 CO 0.14 0.52 -0.15 0.78 -0.68 0.00 0.00 178.15 178.76 2dk5 h ASN 54 N 0.09 0.21 0.03 1.72 -0.26 -0.83 0.27 115.58 116.80 2dk5 h ASN 54 Ca 0.00 -0.64 -0.15 0.00 -0.56 0.00 0.00 56.30 54.95 2dk5 h ASN 54 Cb 0.95 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 38.14 2dk5 h ASN 54 CO 0.07 0.81 -0.52 0.07 -1.06 0.00 0.00 177.43 176.80 2dk5 h LYS 55 N -0.38 0.54 0.17 0.81 2.10 -1.55 -2.75 116.57 115.51 2dk5 h LYS 55 Ca -0.01 -0.33 -0.01 0.00 -2.00 0.00 0.00 60.65 58.31 2dk5 h LYS 55 Cb 0.79 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.16 2dk5 h LYS 55 CO 0.03 0.93 -0.08 0.82 -2.00 0.00 0.00 179.45 179.15 2dk5 h ILE 56 N 0.42 0.88 -0.90 0.07 2.04 -0.94 -2.12 117.51 116.96 2dk5 h ILE 56 Ca 0.01 -1.08 0.19 0.00 1.00 0.00 0.00 64.86 64.98 2dk5 h ILE 56 Cb 1.05 1.45 -0.11 0.00 -0.74 0.00 0.00 36.82 38.47 2dk5 h ILE 56 CO 0.10 0.22 0.46 -0.07 0.00 0.00 0.00 178.15 178.86 2dk5 h LEU 57 N -0.82 0.51 0.49 1.44 3.38 -1.01 -2.30 115.31 116.99 2dk5 h LEU 57 Ca -0.02 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2dk5 h LEU 57 Cb 0.53 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2dk5 h LEU 57 CO 0.04 0.14 -0.23 0.50 0.09 0.00 0.00 178.44 178.97 2dk5 h LYS 58 N 0.56 -0.63 -0.75 1.13 3.64 -1.53 -2.88 116.57 116.10 2dk5 h LYS 58 Ca 0.53 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 60.11 2dk5 h LYS 58 Cb 0.89 0.14 -0.14 0.00 -0.41 0.00 0.00 32.23 32.71 2dk5 h LYS 58 CO -0.43 -0.42 -0.16 0.09 -2.27 0.00 0.00 179.45 176.25 2dk5 n ASN 59 N -4.44 -0.25 -0.22 4.20 3.02 -0.80 0.22 115.26 117.00 2dk5 n ASN 59 Ca -0.08 1.29 -0.05 0.00 -0.03 0.00 0.00 54.58 55.71 2dk5 n ASN 59 Cb 0.26 -0.40 0.05 0.00 -0.61 0.00 0.00 39.78 39.08 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 0.66 -1.46 3.41 3.38 -1.45 -0.06 115.31 119.79 2dk5 h LEU 60 Ca 0.37 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.34 2dk5 h LEU 60 Cb 0.59 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2dk5 h LEU 60 CO -0.77 0.47 0.00 -0.33 0.09 0.00 0.00 178.44 177.90 2dk5 h GLU 61 N 0.79 0.00 0.00 1.13 5.08 0.28 -0.83 114.58 121.04 2dk5 h GLU 61 Ca 0.24 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.38 2dk5 h GLU 61 Cb -0.02 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 2dk5 h GLU 61 CO -0.08 0.00 -1.97 0.45 -1.00 0.00 0.00 179.01 176.40 2dk5 n SER 62 N -2.35 0.32 -0.35 1.42 2.88 -0.15 -4.07 113.62 111.33 2dk5 n SER 62 Ca -0.01 0.14 0.09 0.00 -1.33 0.00 0.00 58.87 57.76 2dk5 n SER 62 Cb 0.08 0.89 0.39 0.00 -0.75 0.00 0.00 64.21 64.81 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 -2.71 1.45 -1.82 -1.46 5.02 -0.39 -4.88 118.16 113.37 2dk5 n LYS 63 Ca -0.19 -0.69 -0.11 0.00 -2.02 0.00 0.00 58.31 55.30 2dk5 n LYS 63 Cb 0.93 -1.32 -0.02 0.00 -0.02 0.00 0.00 35.03 34.59 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 -0.07 -0.85 -0.04 1.97 4.76 -1.01 -4.90 118.16 118.02 2dk5 n LYS 64 Ca 0.14 0.71 -0.11 0.00 -2.87 0.00 0.00 58.31 56.18 2dk5 n LYS 64 Cb 0.22 -4.77 -0.14 0.00 -1.84 0.00 0.00 35.03 28.50 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 -1.48 1.03 0.00 -0.35 4.77 -0.75 -4.60 117.00 115.62 2dk5 n LEU 65 Ca -0.13 0.30 -0.12 0.00 -0.03 0.00 0.00 56.01 56.03 2dk5 n LEU 65 Cb 0.50 0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 2dk5 n LEU 65 CO 0.16 0.49 0.13 2.30 -1.33 0.00 0.00 177.39 179.14 2dk5 n ILE 66 N -3.06 0.00 -3.82 -0.08 -5.35 -1.21 -1.40 119.36 104.45 2dk5 n ILE 66 Ca -0.23 -1.48 -0.09 0.00 -0.27 0.00 0.00 62.75 60.67 2dk5 n ILE 66 Cb 1.07 0.90 -0.05 0.00 -1.74 0.00 0.00 39.64 39.83 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 -2.67 1.35 -0.23 6.28 -2.85 -0.47 -4.18 119.74 116.95 2dk5 s LYS 67 Ca 0.24 -0.98 -0.12 0.00 -1.00 0.00 0.00 55.97 54.12 2dk5 s LYS 67 Cb -0.01 0.48 -0.05 0.00 -2.06 0.00 0.00 37.83 36.20 2dk5 s LYS 67 CO 0.17 -0.56 0.21 0.00 0.10 0.00 0.00 175.35 175.28 2dk5 s ALA 68 N -3.91 3.60 0.16 0.59 0.00 -1.26 -2.53 121.76 118.41 2dk5 s ALA 68 Ca 0.12 -0.82 0.09 0.00 0.00 0.00 0.00 51.96 51.34 2dk5 s ALA 68 Cb -0.00 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 2dk5 s ALA 68 CO -0.01 -0.24 -0.19 0.08 0.00 0.00 0.00 175.76 175.41 2dk5 s VAL 69 N 1.16 1.82 -0.06 0.00 1.01 0.07 -4.97 120.40 119.44 2dk5 s VAL 69 Ca 0.10 -1.90 0.03 0.00 0.00 0.00 0.00 61.98 60.21 2dk5 s VAL 69 Cb -0.14 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.41 2dk5 s VAL 69 CO 0.06 -0.29 -0.15 -0.75 0.00 0.00 0.00 175.10 173.96 2dk5 s LYS 70 N -2.74 1.80 0.26 2.72 2.47 -1.26 -2.02 119.74 120.97 2dk5 s LYS 70 Ca 0.15 -0.51 0.08 0.00 -1.56 0.00 0.00 55.97 54.13 2dk5 s LYS 70 Cb -0.06 -1.50 -0.04 0.00 -1.46 0.00 0.00 37.83 34.77 2dk5 s LYS 70 CO 0.06 0.12 0.09 0.45 0.16 0.00 0.00 175.35 176.23 2dk5 s SER 71 N 0.39 5.00 -0.20 1.43 0.15 -1.26 -4.73 113.70 114.48 2dk5 s SER 71 Ca -0.11 -0.46 -0.40 0.00 0.70 0.00 0.00 55.95 55.68 2dk5 s SER 71 Cb -0.14 -1.11 -0.16 0.00 -1.71 0.00 0.00 66.02 62.90 2dk5 s SER 71 CO 0.04 -0.02 1.62 0.55 1.20 0.00 0.00 173.24 176.63 2dk5 n VAL 72 N -1.02 0.20 -3.67 4.45 3.14 -1.26 -4.90 118.33 115.28 2dk5 n VAL 72 Ca -0.07 -0.04 0.01 0.00 -2.96 0.00 0.00 64.34 61.28 2dk5 n VAL 72 Cb 0.58 -1.03 -0.00 0.00 -1.06 0.00 0.00 33.84 32.33 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 2.67 -2.19 0.00 1.55 0.00 -1.26 -5.10 121.76 117.43 2dk5 s ALA 73 Ca 0.95 0.57 0.00 0.00 0.00 0.00 0.00 51.96 53.48 2dk5 s ALA 73 Cb -1.08 0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.47 2dk5 s ALA 73 CO 0.62 -1.06 0.00 0.00 0.00 0.00 0.00 175.76 175.32 2dk5 n ALA 74 N -0.53 0.00 -0.40 0.00 0.00 -1.26 -4.96 120.51 113.36 2dk5 n ALA 74 Ca -0.07 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 2dk5 n ALA 74 Cb 0.62 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.29 2dk5 n ALA 74 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2dk5 n SER 75 N -1.64 -3.62 -4.19 0.00 3.41 -1.26 -4.98 113.62 101.35 2dk5 n SER 75 Ca 0.00 -0.65 -0.37 0.00 -0.26 0.00 0.00 58.87 57.59 2dk5 n SER 75 Cb 0.00 -0.79 -0.12 0.00 -0.26 0.00 0.00 64.21 63.04 2dk5 n SER 75 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2dk5 s LYS 76 N -4.40 2.36 0.33 4.33 -0.14 -1.26 -5.09 119.74 115.87 2dk5 s LYS 76 Ca 0.50 -1.45 0.03 0.00 -1.36 0.00 0.00 55.97 53.69 2dk5 s LYS 76 Cb -0.09 -3.45 0.03 0.00 -1.68 0.00 0.00 37.83 32.64 2dk5 s LYS 76 CO 0.42 -0.82 0.26 1.63 -0.76 0.00 0.00 175.35 176.08 2dk5 n LYS 77 N 4.69 0.99 -3.48 1.68 4.01 -1.26 -5.13 118.16 119.66 2dk5 n LYS 77 Ca -0.09 -2.08 -0.20 0.00 -0.51 0.00 0.00 58.31 55.43 2dk5 n LYS 77 Cb 0.43 0.21 -0.13 0.00 -0.51 0.00 0.00 35.03 35.03 2dk5 n LYS 77 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 2dk5 s LYS 78 N -3.38 0.22 0.11 1.97 2.20 -1.26 -4.93 119.74 114.67 2dk5 s LYS 78 Ca 0.20 -0.04 -0.04 0.00 -0.36 0.00 0.00 55.97 55.73 2dk5 s LYS 78 Cb -0.02 -1.08 -0.05 0.00 -1.51 0.00 0.00 37.83 35.17 2dk5 s LYS 78 CO 0.12 -0.83 0.32 0.08 -0.36 0.00 0.00 175.35 174.69 2dk5 s VAL 79 N 2.29 5.24 0.06 4.02 1.01 -0.86 -3.29 120.40 128.87 2dk5 s VAL 79 Ca 0.08 -0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.06 2dk5 s VAL 79 Cb -0.15 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2dk5 s VAL 79 CO -0.22 0.10 -0.21 -0.31 0.00 0.00 0.00 175.10 174.45 2dk5 s TYR 80 N -1.58 1.85 0.31 5.22 1.51 -0.05 -0.75 117.35 123.85 2dk5 s TYR 80 Ca 0.38 -0.39 -0.18 0.00 -1.01 0.00 0.00 57.07 55.87 2dk5 s TYR 80 Cb -0.12 -1.07 0.03 0.00 -0.11 0.00 0.00 41.96 40.68 2dk5 s TYR 80 CO 0.25 0.13 0.70 0.00 -1.11 0.00 0.00 175.55 175.52 2dk5 s MET 81 N -1.42 1.89 0.25 -0.62 0.23 -1.05 -1.09 119.30 117.49 2dk5 s MET 81 Ca 0.08 -1.17 -0.31 0.00 -1.03 0.00 0.00 55.69 53.26 2dk5 s MET 81 Cb -0.09 0.59 -0.13 0.00 -1.53 0.00 0.00 34.83 33.67 2dk5 s MET 81 CO 0.03 -0.86 1.40 1.28 -2.03 0.00 0.00 175.02 174.84 2dk5 n LEU 82 N -0.47 3.16 -0.30 0.18 4.77 -1.26 -1.37 117.00 121.70 2dk5 n LEU 82 Ca -0.05 1.15 -0.05 0.00 -0.03 0.00 0.00 56.01 57.03 2dk5 n LEU 82 Cb 0.60 -1.43 0.07 0.00 -2.33 0.00 0.00 43.42 40.32 2dk5 n LEU 82 CO 0.19 -0.48 1.11 0.22 -1.33 0.00 0.00 177.39 177.10 2dk5 h TYR 83 N 4.10 1.17 -0.55 -1.77 3.20 -1.45 -2.43 116.97 119.23 2dk5 h TYR 83 Ca -0.45 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.34 2dk5 h TYR 83 Cb 1.28 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 2dk5 h TYR 83 CO 0.56 0.85 0.25 -0.91 -1.64 0.00 0.00 178.16 177.27 2dk5 h ASN 84 N 1.16 0.70 -2.43 -2.11 2.35 -1.84 -3.44 115.58 109.96 2dk5 h ASN 84 Ca 0.28 -0.07 -0.22 0.00 -0.55 0.00 0.00 56.30 55.75 2dk5 h ASN 84 Cb 0.11 -0.18 0.11 0.00 0.05 0.00 0.00 38.32 38.41 2dk5 h ASN 84 CO -0.04 0.61 0.03 0.18 -1.65 0.00 0.00 177.43 176.56 2dk5 n LEU 85 N -4.36 0.00 -3.75 1.61 4.32 -0.92 -5.09 117.00 108.81 2dk5 n LEU 85 Ca 0.05 -0.61 -0.10 0.00 -0.02 0.00 0.00 56.01 55.33 2dk5 n LEU 85 Cb 0.13 -0.56 -0.04 0.00 -1.62 0.00 0.00 43.42 41.33 2dk5 n LEU 85 CO 0.38 -1.78 0.22 -0.44 -1.22 0.00 0.00 177.39 174.55 2dk5 s SER 86 N -3.03 -0.22 0.00 -1.43 0.01 -1.26 -4.97 113.70 102.80 2dk5 s SER 86 Ca 0.39 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2dk5 s SER 86 Cb -0.04 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2dk5 s SER 86 CO 0.30 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2dk5 n GLY 87 N -0.31 3.15 3.60 3.44 0.00 -1.26 -4.93 105.19 108.88 2dk5 n GLY 87 Ca -0.10 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 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 1.15 3.34 0.50 1.61 0.04 -1.26 -4.86 135.00 135.52 2dk5 s PRO 88 Ca 0.00 1.25 0.29 0.00 0.04 0.00 0.00 61.00 62.58 2dk5 s PRO 88 Cb 0.00 -4.17 1.13 0.00 0.04 0.00 0.00 34.50 31.50 2dk5 s PRO 88 CO 0.00 -1.85 1.90 0.77 0.04 0.00 0.00 177.00 177.86 2dk5 h SER 89 N 12.50 0.00 -6.77 6.66 0.02 -2.00 -3.39 113.55 120.58 2dk5 h SER 89 Ca -0.32 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.10 2dk5 h SER 89 Cb 1.15 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.49 2dk5 h SER 89 CO 1.06 0.09 -0.82 -1.20 -1.14 0.00 0.00 176.83 174.82 2dk5 n SER 90 N -3.22 0.46 0.00 3.07 7.64 -1.26 -4.94 113.62 115.37 2dk5 n SER 90 Ca 0.01 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.79 2dk5 n SER 90 Cb 0.37 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 2dk5 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64