#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 -0.26 -0.29 1.61 1.04 -1.26 -5.17 113.70 109.37 2dk5 s SER 2 Ca 0.00 -0.37 -0.16 0.00 0.48 0.00 0.00 55.95 55.90 2dk5 s SER 2 Cb 0.00 0.55 0.16 0.00 0.10 0.00 0.00 66.02 66.83 2dk5 s SER 2 CO 0.00 -0.98 1.03 -0.55 0.98 0.00 0.00 173.24 173.72 2dk5 s SER 3 N -2.86 -0.44 0.35 7.02 0.15 -1.26 -5.17 113.70 111.49 2dk5 s SER 3 Ca 0.10 0.68 -0.07 0.00 0.70 0.00 0.00 55.95 57.36 2dk5 s SER 3 Cb -0.02 1.26 -0.06 0.00 -1.71 0.00 0.00 66.02 65.49 2dk5 s SER 3 CO 0.01 -0.10 0.66 -0.83 1.20 0.00 0.00 173.24 174.17 2dk5 s GLY 4 N 1.51 1.86 -0.30 9.45 0.00 -1.26 -5.08 107.32 113.51 2dk5 s GLY 4 Ca -0.07 -0.41 -0.07 0.00 0.00 0.00 0.00 44.72 44.16 2dk5 s GLY 4 CO -0.15 -0.27 0.86 -1.35 0.00 0.00 0.00 173.10 172.19 2dk5 s SER 5 N -3.23 -0.88 1.18 1.64 1.04 -1.26 -5.17 113.70 107.02 2dk5 s SER 5 Ca 0.47 0.42 -0.17 0.00 0.48 0.00 0.00 55.95 57.15 2dk5 s SER 5 Cb -0.10 1.68 0.21 0.00 0.10 0.00 0.00 66.02 67.91 2dk5 s SER 5 CO 0.31 -0.16 0.43 -1.54 0.98 0.00 0.00 173.24 173.26 2dk5 n SER 6 N 5.40 -2.61 -2.30 7.02 3.41 -1.26 -4.95 113.62 118.33 2dk5 n SER 6 Ca -0.01 -0.30 -0.27 0.00 -0.26 0.00 0.00 58.87 58.03 2dk5 n SER 6 Cb 0.54 -1.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.49 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 1.84 6.15 3.91 5.00 0.00 -1.26 -5.05 105.19 115.79 2dk5 n GLY 7 Ca 0.03 -2.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.04 2dk5 n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dk5 s ASP 8 N -3.41 6.41 -1.08 1.61 1.01 -1.26 -4.41 116.67 115.54 2dk5 s ASP 8 Ca 0.50 0.39 -0.05 0.00 0.71 0.00 0.00 52.55 54.10 2dk5 s ASP 8 Cb 0.41 -2.01 0.01 0.00 1.01 0.00 0.00 42.92 42.34 2dk5 s ASP 8 CO -0.10 0.11 0.93 -0.24 0.21 0.00 0.00 175.17 176.08 2dk5 n SER 9 N 0.12 -4.41 -4.49 0.27 2.88 -1.26 -4.95 113.62 101.79 2dk5 n SER 9 Ca -0.04 -0.47 -0.43 0.00 -1.33 0.00 0.00 58.87 56.60 2dk5 n SER 9 Cb 0.52 -4.27 -0.04 0.00 -0.75 0.00 0.00 64.21 59.67 2dk5 n SER 9 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2dk5 s GLN 10 N -5.76 3.24 -1.53 -1.46 0.74 -1.26 -4.38 119.66 109.26 2dk5 s GLN 10 Ca 0.32 -0.50 -0.15 0.00 0.05 0.00 0.00 55.36 55.07 2dk5 s GLN 10 Cb -0.14 -4.11 0.15 0.00 1.10 0.00 0.00 33.01 30.02 2dk5 s GLN 10 CO 0.60 -1.54 0.39 0.09 -0.55 0.00 0.00 175.29 174.28 2dk5 n ASN 11 N 7.35 -0.99 -0.01 6.67 3.02 -1.26 -4.79 115.26 125.26 2dk5 n ASN 11 Ca -0.01 -1.06 -0.17 0.00 -0.03 0.00 0.00 54.58 53.31 2dk5 n ASN 11 Cb 0.47 -1.35 -0.10 0.00 -0.61 0.00 0.00 39.78 38.19 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 1.03 0.15 0.00 5.41 0.00 -1.99 -3.48 119.26 120.38 2dk5 h ALA 12 Ca -0.52 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 53.85 2dk5 h ALA 12 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2dk5 h ALA 12 CO 0.72 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.78 2dk5 n GLY 13 N 0.86 0.96 3.46 0.00 0.00 -1.26 -5.14 105.19 104.08 2dk5 n GLY 13 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 0.08 1.88 0.30 1.61 2.47 -1.26 -5.09 119.74 119.73 2dk5 s LYS 14 Ca 0.00 -1.10 -0.26 0.00 -1.56 0.00 0.00 55.97 53.05 2dk5 s LYS 14 Cb 0.00 -2.13 -0.15 0.00 -1.46 0.00 0.00 37.83 34.09 2dk5 s LYS 14 CO 0.00 0.50 0.60 -1.33 0.16 0.00 0.00 175.35 175.28 2dk5 n MET 15 N 1.15 0.47 -3.42 4.03 2.81 -1.26 -4.91 117.12 116.00 2dk5 n MET 15 Ca -0.16 0.17 -0.40 0.00 -1.81 0.00 0.00 57.70 55.50 2dk5 n MET 15 Cb 0.52 -1.33 -0.09 0.00 -0.71 0.00 0.00 33.22 31.61 2dk5 n MET 15 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2dk5 s LYS 16 N -1.28 3.72 0.00 0.03 -0.14 -1.26 -4.98 119.74 115.83 2dk5 s LYS 16 Ca 0.62 -0.30 0.00 0.00 -1.36 0.00 0.00 55.97 54.93 2dk5 s LYS 16 Cb -0.76 -3.75 0.00 0.00 -1.68 0.00 0.00 37.83 31.64 2dk5 s LYS 16 CO 0.58 -0.43 0.00 0.41 -0.76 0.00 0.00 175.35 175.16 2dk5 n GLY 17 N 4.91 -1.13 0.87 -3.33 0.00 -1.26 -5.05 105.19 100.19 2dk5 n GLY 17 Ca -0.10 -1.23 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 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 2.37 0.95 -4.82 1.61 7.64 -1.26 -5.07 113.62 115.03 2dk5 n SER 18 Ca 0.00 0.13 -0.29 0.00 1.01 0.00 0.00 58.87 59.72 2dk5 n SER 18 Cb 0.00 -0.32 0.11 0.00 -1.01 0.00 0.00 64.21 63.00 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 -5.80 3.97 -0.40 6.43 1.01 -1.26 -5.00 116.67 115.63 2dk5 s ASP 19 Ca -0.06 0.97 0.04 0.00 0.71 0.00 0.00 52.55 54.21 2dk5 s ASP 19 Cb 0.01 -1.55 0.46 0.00 1.01 0.00 0.00 42.92 42.85 2dk5 s ASP 19 CO 0.08 -2.26 1.45 -0.46 0.21 0.00 0.00 175.17 174.19 2dk5 n ASN 20 N -3.58 5.69 -0.12 0.27 6.94 -1.26 -4.62 115.26 118.58 2dk5 n ASN 20 Ca 0.07 -3.76 -0.19 0.00 -0.02 0.00 0.00 54.58 50.67 2dk5 n ASN 20 Cb 0.59 -0.54 -0.12 0.00 -2.36 0.00 0.00 39.78 37.36 2dk5 n ASN 20 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2dk5 n GLN 21 N -0.78 0.65 0.25 -3.83 6.02 -1.26 -3.82 117.38 114.61 2dk5 n GLN 21 Ca 0.49 0.17 0.12 0.00 -0.01 0.00 0.00 57.00 57.78 2dk5 n GLN 21 Cb 0.88 -1.53 0.63 0.00 1.02 0.00 0.00 30.24 31.24 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 -0.10 0.00 0.10 -1.09 4.81 -1.98 -2.18 114.58 114.15 2dk5 h GLU 22 Ca -0.58 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.38 2dk5 h GLU 22 Cb 1.88 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.25 2dk5 h GLU 22 CO -0.11 0.16 -1.32 1.57 -0.73 0.00 0.00 179.01 178.58 2dk5 h LYS 23 N 0.00 0.22 -0.05 1.92 2.10 -1.87 -2.79 116.57 116.09 2dk5 h LYS 23 Ca -0.00 -0.37 -0.15 0.00 -2.00 0.00 0.00 60.65 58.13 2dk5 h LYS 23 Cb 0.50 0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.95 2dk5 h LYS 23 CO 0.02 1.13 -0.62 1.25 -2.00 0.00 0.00 179.45 179.23 2dk5 h LEU 24 N 0.06 0.22 -0.02 7.07 5.85 -1.58 -2.72 115.31 124.20 2dk5 h LEU 24 Ca -0.16 -0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.30 2dk5 h LEU 24 Cb 1.96 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 42.93 2dk5 h LEU 24 CO 0.18 0.79 -0.51 0.58 -0.34 0.00 0.00 178.44 179.13 2dk5 h VAL 25 N 0.14 1.44 -0.88 1.05 2.07 -1.49 -3.14 116.25 115.46 2dk5 h VAL 25 Ca -0.01 -2.01 0.03 0.00 0.82 0.00 0.00 66.70 65.53 2dk5 h VAL 25 Cb 1.12 2.57 -0.05 0.00 -1.52 0.00 0.00 31.29 33.42 2dk5 h VAL 25 CO 0.09 0.58 0.58 0.22 0.02 0.00 0.00 177.57 179.06 2dk5 h TYR 26 N -0.16 1.07 -0.70 1.57 3.20 -1.52 -1.46 116.97 118.98 2dk5 h TYR 26 Ca -0.06 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 2dk5 h TYR 26 Cb 1.22 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 2dk5 h TYR 26 CO 0.15 0.64 0.32 0.37 -1.64 0.00 0.00 178.16 177.99 2dk5 h GLN 27 N 1.12 1.01 -0.14 1.82 -0.00 -1.53 -2.08 115.11 115.30 2dk5 h GLN 27 Ca 0.34 -0.15 -0.16 0.00 -0.00 0.00 0.00 58.65 58.69 2dk5 h GLN 27 Cb -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.26 2dk5 h GLN 27 CO -0.09 0.79 -0.58 0.82 0.00 0.00 0.00 178.83 179.77 2dk5 h ILE 28 N 1.00 1.34 -0.08 2.39 2.04 -1.29 -2.81 117.51 120.10 2dk5 h ILE 28 Ca 0.24 -1.87 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 2dk5 h ILE 28 Cb 0.13 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 2dk5 h ILE 28 CO -0.03 0.57 0.03 0.40 0.00 0.00 0.00 178.15 179.12 2dk5 h ILE 29 N 0.33 1.16 0.00 -0.67 2.04 -0.84 -2.49 117.51 117.04 2dk5 h ILE 29 Ca 0.00 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 2dk5 h ILE 29 Cb 1.11 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 2dk5 h ILE 29 CO 0.10 0.14 -0.09 1.05 0.00 0.00 0.00 178.15 179.34 2dk5 h GLU 30 N -0.04 0.00 -0.32 2.37 4.11 -1.41 -2.28 114.58 117.01 2dk5 h GLU 30 Ca 0.03 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.31 2dk5 h GLU 30 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2dk5 h GLU 30 CO -0.00 0.09 -0.40 -0.44 0.07 0.00 0.00 179.01 178.33 2dk5 h ASP 31 N 0.00 0.82 -0.95 3.06 3.32 -1.18 -3.05 116.42 118.44 2dk5 h ASP 31 Ca -0.00 -0.37 0.16 0.00 0.02 0.00 0.00 57.03 56.83 2dk5 h ASP 31 Cb 0.27 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 39.50 2dk5 h ASP 31 CO 0.01 1.12 0.60 0.00 -1.72 0.00 0.00 179.24 179.25 2dk5 h ALA 32 N 0.92 1.78 0.00 3.45 0.00 -1.09 -3.48 119.26 120.84 2dk5 h ALA 32 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2dk5 h ALA 32 Cb 0.96 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2dk5 h ALA 32 CO 0.09 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2dk5 n GLY 33 N -1.40 -3.48 0.46 0.00 0.00 -1.15 -4.29 105.19 95.32 2dk5 n GLY 33 Ca 0.20 -1.87 0.32 0.00 0.00 0.00 0.00 46.02 44.66 2dk5 n GLY 33 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2dk5 h ASN 34 N 0.00 0.29 -0.71 1.61 -0.73 -1.93 0.34 115.58 114.45 2dk5 h ASN 34 Ca 0.00 0.10 0.13 0.00 1.87 0.00 0.00 56.30 58.41 2dk5 h ASN 34 Cb 0.00 0.07 -0.09 0.00 0.27 0.00 0.00 38.32 38.57 2dk5 h ASN 34 CO 0.00 -0.06 0.24 0.11 -0.37 0.00 0.00 177.43 177.35 2dk5 h LYS 35 N 0.19 0.36 0.00 6.67 1.79 -1.97 -3.43 116.57 120.18 2dk5 h LYS 35 Ca 0.72 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 59.17 2dk5 h LYS 35 Cb 2.18 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.75 2dk5 h LYS 35 CO -0.33 0.24 0.00 0.41 -1.08 0.00 0.00 179.45 178.69 2dk5 n GLY 36 N -1.32 -2.36 3.20 3.86 0.00 0.12 -5.02 105.19 103.66 2dk5 n GLY 36 Ca 0.13 -2.14 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.52 0.08 -0.15 -0.61 2.07 -0.35 -4.65 121.20 117.06 2dk5 s ILE 37 Ca 0.00 -0.64 -0.18 0.00 -1.41 0.00 0.00 60.65 58.42 2dk5 s ILE 37 Cb 0.00 -0.70 -0.04 0.00 0.13 0.00 0.00 42.46 41.85 2dk5 s ILE 37 CO 0.00 -0.35 0.47 0.86 -1.91 0.00 0.00 174.94 174.01 2dk5 s TRP 38 N -1.80 3.46 0.37 3.50 -0.00 -1.26 -0.16 118.94 123.05 2dk5 s TRP 38 Ca -0.11 0.81 0.23 0.00 -0.00 0.00 0.00 56.10 57.04 2dk5 s TRP 38 Cb -0.04 -2.57 1.32 0.00 -0.00 0.00 0.00 33.47 32.18 2dk5 s TRP 38 CO 0.01 0.08 1.50 -1.13 -0.00 0.00 0.00 176.95 177.41 2dk5 n SER 39 N 4.04 0.29 -0.27 5.86 3.41 -1.17 0.21 113.62 126.00 2dk5 n SER 39 Ca -0.07 1.50 -0.06 0.00 -0.26 0.00 0.00 58.87 59.99 2dk5 n SER 39 Cb 0.51 -0.73 0.06 0.00 -0.26 0.00 0.00 64.21 63.78 2dk5 n SER 39 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2dk5 h ARG 40 N 0.00 1.05 -0.77 4.33 2.43 -1.92 -2.64 114.38 116.86 2dk5 h ARG 40 Ca 0.82 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.86 2dk5 h ARG 40 Cb 2.29 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 31.61 2dk5 h ARG 40 CO -0.65 0.81 0.50 0.22 -1.51 0.00 0.00 179.97 179.34 2dk5 h ASP 41 N 1.02 0.84 -0.10 -3.80 3.58 0.21 -2.76 116.42 115.41 2dk5 h ASP 41 Ca 0.25 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.71 2dk5 h ASP 41 Cb 0.10 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 2dk5 h ASP 41 CO -0.03 0.59 -0.02 0.58 -2.88 0.00 0.00 179.24 177.48 2dk5 h VAL 42 N 0.99 0.91 -0.76 2.25 2.07 -1.14 -2.58 116.25 117.98 2dk5 h VAL 42 Ca 0.30 -0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.04 2dk5 h VAL 42 Cb -0.03 0.90 -0.14 0.00 -1.52 0.00 0.00 31.29 30.49 2dk5 h VAL 42 CO -0.09 0.00 0.07 0.54 0.02 0.00 0.00 177.57 178.10 2dk5 n ARG 43 N -5.14 -0.06 0.06 1.57 1.74 -1.04 0.10 116.66 113.89 2dk5 n ARG 43 Ca -0.05 1.13 -0.09 0.00 -0.77 0.00 0.00 57.85 58.07 2dk5 n ARG 43 Cb 0.07 -1.82 -0.06 0.00 -1.02 0.00 0.00 32.46 29.63 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 -0.22 0.36 -1.55 0.05 -1.55 -1.74 116.97 112.32 2dk5 h TYR 44 Ca 0.48 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.25 2dk5 h TYR 44 Cb 1.05 0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.84 2dk5 h TYR 44 CO -0.34 0.16 -0.35 0.87 -1.05 0.00 0.00 178.16 177.45 2dk5 h LYS 45 N -0.94 -0.68 0.00 4.88 1.79 -0.20 -1.26 116.57 120.16 2dk5 h LYS 45 Ca -0.02 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2dk5 h LYS 45 Cb 0.47 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2dk5 h LYS 45 CO 0.04 -0.45 0.00 0.66 -1.08 0.00 0.00 179.45 178.62 2dk5 h SER 46 N -0.71 0.00 -5.04 0.86 4.64 0.51 -3.45 113.55 110.36 2dk5 h SER 46 Ca -0.05 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.87 2dk5 h SER 46 Cb 0.61 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.72 2dk5 h SER 46 CO -0.04 0.00 -0.61 -3.20 -0.87 0.00 0.00 176.83 172.11 2dk5 n ASN 47 N -2.39 -5.33 -4.45 4.97 5.15 -0.48 -4.92 115.26 107.81 2dk5 n ASN 47 Ca -0.01 -0.38 -0.25 0.00 -0.60 0.00 0.00 54.58 53.34 2dk5 n ASN 47 Cb 0.06 -4.32 -0.11 0.00 -0.53 0.00 0.00 39.78 34.89 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 -6.73 2.52 0.68 1.20 1.43 -0.88 -5.02 118.68 111.88 2dk5 s LEU 48 Ca 0.39 -0.96 -0.14 0.00 -1.03 0.00 0.00 54.13 52.38 2dk5 s LEU 48 Cb -0.18 -1.11 0.01 0.00 0.03 0.00 0.00 46.19 44.93 2dk5 s LEU 48 CO 0.48 0.07 1.11 -2.16 0.23 0.00 0.00 176.35 176.07 2dk5 s PRO 49 N -3.17 2.72 0.24 1.29 0.04 -1.26 -4.59 135.00 130.27 2dk5 s PRO 49 Ca 0.26 1.36 -0.07 0.00 0.04 0.00 0.00 61.00 62.58 2dk5 s PRO 49 Cb -0.06 -1.94 0.41 0.00 0.04 0.00 0.00 34.50 32.95 2dk5 s PRO 49 CO 0.13 -1.31 1.65 1.25 0.04 0.00 0.00 177.00 178.75 2dk5 h LEU 50 N -0.15 -0.28 -2.30 -3.56 7.12 -1.99 0.82 115.31 114.99 2dk5 h LEU 50 Ca -0.46 0.18 0.04 0.00 0.13 0.00 0.00 57.88 57.77 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 0.54 -0.14 0.18 0.00 -0.13 0.00 0.00 178.44 178.88 2dk5 h THR 51 N 0.13 0.40 0.16 1.05 1.03 -2.00 0.54 112.91 114.23 2dk5 h THR 51 Ca 0.39 0.00 -0.33 0.00 -0.01 0.00 0.00 66.41 66.46 2dk5 h THR 51 Cb 0.68 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 68.62 2dk5 h THR 51 CO -0.61 0.00 -1.69 -0.33 -0.01 0.00 0.00 175.52 172.88 2dk5 h GLU 52 N 0.00 0.35 -0.18 0.00 4.39 0.24 -3.17 114.58 116.21 2dk5 h GLU 52 Ca 0.07 -0.59 -0.09 0.00 0.34 0.00 0.00 59.36 59.08 2dk5 h GLU 52 Cb 0.42 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2dk5 h GLU 52 CO -0.00 1.28 -0.27 0.82 -1.16 0.00 0.00 179.01 179.68 2dk5 h ILE 53 N -0.00 1.26 0.27 3.13 5.03 -0.06 0.10 117.51 127.24 2dk5 h ILE 53 Ca -0.34 -1.23 -0.01 0.00 -0.12 0.00 0.00 64.86 63.15 2dk5 h ILE 53 Cb 2.01 1.43 0.00 0.00 -3.03 0.00 0.00 36.82 37.23 2dk5 h ILE 53 CO 0.14 0.38 -0.13 0.78 -0.68 0.00 0.00 178.15 178.64 2dk5 h ASN 54 N 0.30 -0.31 -0.56 1.72 -0.26 -1.07 0.16 115.58 115.56 2dk5 h ASN 54 Ca 0.04 -0.22 -0.05 0.00 -0.56 0.00 0.00 56.30 55.52 2dk5 h ASN 54 Cb 0.64 0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.95 2dk5 h ASN 54 CO 0.05 0.11 0.18 0.07 -1.06 0.00 0.00 177.43 176.78 2dk5 h LYS 55 N -0.81 0.91 0.28 0.81 2.10 -1.54 -1.96 116.57 116.35 2dk5 h LYS 55 Ca -0.04 -0.17 -0.01 0.00 -2.00 0.00 0.00 60.65 58.42 2dk5 h LYS 55 Cb 0.51 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2dk5 h LYS 55 CO 0.06 0.79 -0.13 0.82 -2.00 0.00 0.00 179.45 178.98 2dk5 h ILE 56 N 0.88 0.66 -0.94 0.07 2.04 -1.00 -1.28 117.51 117.95 2dk5 h ILE 56 Ca 0.20 -0.79 0.20 0.00 1.00 0.00 0.00 64.86 65.46 2dk5 h ILE 56 Cb 0.26 1.03 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 2dk5 h ILE 56 CO -0.01 0.14 0.61 -0.07 0.00 0.00 0.00 178.15 178.82 2dk5 h LEU 57 N -0.85 0.51 0.34 1.44 3.38 -0.63 -2.51 115.31 116.98 2dk5 h LEU 57 Ca -0.04 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2dk5 h LEU 57 Cb 0.51 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2dk5 h LEU 57 CO 0.06 0.20 -0.16 0.50 0.09 0.00 0.00 178.44 179.13 2dk5 h LYS 58 N 0.51 -0.43 -0.75 1.13 3.64 -1.33 -2.99 116.57 116.33 2dk5 h LYS 58 Ca 0.50 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 60.02 2dk5 h LYS 58 Cb 1.10 0.10 -0.12 0.00 -0.41 0.00 0.00 32.23 32.91 2dk5 h LYS 58 CO -0.23 -0.29 -0.32 0.09 -2.27 0.00 0.00 179.45 176.43 2dk5 n ASN 59 N -4.56 -0.54 -0.18 4.20 3.02 -0.49 0.16 115.26 116.86 2dk5 n ASN 59 Ca -0.06 1.32 -0.03 0.00 -0.03 0.00 0.00 54.58 55.79 2dk5 n ASN 59 Cb 0.18 -0.28 0.07 0.00 -0.61 0.00 0.00 39.78 39.14 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 0.31 -2.46 3.41 3.38 -1.57 0.27 115.31 118.66 2dk5 h LEU 60 Ca 0.24 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.27 2dk5 h LEU 60 Cb 0.42 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2dk5 h LEU 60 CO -0.74 0.21 0.10 -0.33 0.09 0.00 0.00 178.44 177.77 2dk5 h GLU 61 N 0.46 0.00 0.00 1.13 5.08 0.16 -0.16 114.58 121.25 2dk5 h GLU 61 Ca 0.26 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.46 2dk5 h GLU 61 Cb 0.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2dk5 h GLU 61 CO -0.22 0.00 -1.76 0.45 -1.00 0.00 0.00 179.01 176.48 2dk5 n SER 62 N -3.57 0.43 -1.11 1.42 2.88 0.13 -4.06 113.62 109.74 2dk5 n SER 62 Ca -0.01 0.19 0.03 0.00 -1.33 0.00 0.00 58.87 57.74 2dk5 n SER 62 Cb 0.20 0.87 0.17 0.00 -0.75 0.00 0.00 64.21 64.70 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 -2.67 2.66 -3.88 -1.46 5.02 0.73 -4.87 118.16 113.67 2dk5 n LYS 63 Ca -0.13 -1.35 -0.28 0.00 -2.02 0.00 0.00 58.31 54.54 2dk5 n LYS 63 Cb 0.82 -1.83 0.02 0.00 -0.02 0.00 0.00 35.03 34.02 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 0.26 -4.93 -0.03 1.97 4.76 -1.04 -4.86 118.16 114.28 2dk5 n LYS 64 Ca 0.12 0.57 -0.04 0.00 -2.87 0.00 0.00 58.31 56.09 2dk5 n LYS 64 Cb 0.66 -5.27 -0.05 0.00 -1.84 0.00 0.00 35.03 28.54 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 -4.52 0.52 0.00 -0.35 4.77 -0.54 -4.80 117.00 112.09 2dk5 n LEU 65 Ca -0.09 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.77 2dk5 n LEU 65 Cb 0.58 0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.73 2dk5 n LEU 65 CO 0.74 0.24 0.10 2.30 -1.33 0.00 0.00 177.39 179.44 2dk5 n ILE 66 N -2.33 0.00 -3.76 -0.08 -5.35 -1.19 -1.12 119.36 105.53 2dk5 n ILE 66 Ca -0.11 -1.31 -0.09 0.00 -0.27 0.00 0.00 62.75 60.96 2dk5 n ILE 66 Cb 0.70 0.79 -0.03 0.00 -1.74 0.00 0.00 39.64 39.35 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 -2.61 1.49 -0.17 6.28 -2.85 0.98 -4.21 119.74 118.66 2dk5 s LYS 67 Ca 0.21 -0.89 -0.16 0.00 -1.00 0.00 0.00 55.97 54.14 2dk5 s LYS 67 Cb -0.00 0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 36.27 2dk5 s LYS 67 CO 0.15 -0.65 0.37 0.00 0.10 0.00 0.00 175.35 175.33 2dk5 s ALA 68 N -3.89 3.55 0.17 0.59 0.00 -1.26 -1.34 121.76 119.59 2dk5 s ALA 68 Ca 0.10 -0.44 0.08 0.00 0.00 0.00 0.00 51.96 51.71 2dk5 s ALA 68 Cb -0.02 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 2dk5 s ALA 68 CO -0.00 -0.09 -0.18 0.08 0.00 0.00 0.00 175.76 175.57 2dk5 s VAL 69 N 0.86 1.82 -0.00 0.00 1.01 0.26 -4.98 120.40 119.36 2dk5 s VAL 69 Ca 0.19 -1.98 0.07 0.00 0.00 0.00 0.00 61.98 60.27 2dk5 s VAL 69 Cb -0.14 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 2dk5 s VAL 69 CO 0.07 -0.37 -0.23 -0.75 0.00 0.00 0.00 175.10 173.82 2dk5 s LYS 70 N -2.96 1.75 0.37 2.72 2.47 -1.26 -3.09 119.74 119.74 2dk5 s LYS 70 Ca 0.17 -0.86 0.08 0.00 -1.56 0.00 0.00 55.97 53.80 2dk5 s LYS 70 Cb -0.05 -1.74 -0.02 0.00 -1.46 0.00 0.00 37.83 34.56 2dk5 s LYS 70 CO 0.07 0.47 0.36 0.45 0.16 0.00 0.00 175.35 176.85 2dk5 s SER 71 N -0.71 5.27 0.29 1.43 0.15 -1.26 -5.02 113.70 113.84 2dk5 s SER 71 Ca 0.09 -0.57 0.05 0.00 0.70 0.00 0.00 55.95 56.22 2dk5 s SER 71 Cb -0.09 -0.81 0.45 0.00 -1.71 0.00 0.00 66.02 63.86 2dk5 s SER 71 CO -0.00 -0.50 1.71 1.62 1.20 0.00 0.00 173.24 177.27 2dk5 h VAL 72 N 1.10 1.29 0.00 4.45 3.04 -2.04 -3.32 116.25 120.77 2dk5 h VAL 72 Ca -0.43 -1.39 0.00 0.00 -1.01 0.00 0.00 66.70 63.86 2dk5 h VAL 72 Cb 1.26 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 32.09 2dk5 h VAL 72 CO 0.57 0.43 0.00 0.00 -1.01 0.00 0.00 177.57 177.55 2dk5 n ALA 73 N -2.48 0.00 -3.83 3.17 0.00 -1.26 -4.82 120.51 111.29 2dk5 n ALA 73 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.36 2dk5 n ALA 73 Cb 0.44 0.33 -0.00 0.00 0.00 0.00 0.00 19.45 20.22 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 -3.63 -1.13 -0.47 0.00 0.00 -1.25 -5.06 121.76 110.22 2dk5 s ALA 74 Ca 0.00 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.59 2dk5 s ALA 74 Cb 0.00 0.77 0.43 0.00 0.00 0.00 0.00 23.12 24.32 2dk5 s ALA 74 CO 0.00 -1.03 1.39 -1.13 0.00 0.00 0.00 175.76 175.00 2dk5 n SER 75 N -0.79 5.59 -2.49 0.00 3.41 -1.26 -4.51 113.62 113.57 2dk5 n SER 75 Ca -0.06 -3.76 -0.20 0.00 -0.26 0.00 0.00 58.87 54.60 2dk5 n SER 75 Cb 0.59 -0.57 0.01 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.63 2.76 -3.81 4.33 4.76 -1.26 -5.06 118.16 119.25 2dk5 n LYS 76 Ca 0.46 -4.08 -0.02 0.00 -2.87 0.00 0.00 58.31 51.81 2dk5 n LYS 76 Cb 0.71 -1.95 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 2dk5 n LYS 76 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2dk5 s LYS 77 N -3.46 1.03 -0.33 1.97 -2.85 -1.26 -5.13 119.74 109.70 2dk5 s LYS 77 Ca 0.42 -0.62 -0.00 0.00 -1.00 0.00 0.00 55.97 54.76 2dk5 s LYS 77 Cb 0.41 0.31 0.11 0.00 -2.06 0.00 0.00 37.83 36.60 2dk5 s LYS 77 CO -0.09 -0.48 0.12 0.21 0.10 0.00 0.00 175.35 175.22 2dk5 s LYS 78 N -2.54 0.80 0.26 1.78 2.47 -1.26 -5.02 119.74 116.22 2dk5 s LYS 78 Ca 0.18 -1.23 -0.17 0.00 -1.56 0.00 0.00 55.97 53.19 2dk5 s LYS 78 Cb -0.01 -2.02 -0.08 0.00 -1.46 0.00 0.00 37.83 34.26 2dk5 s LYS 78 CO 0.02 -1.02 0.71 0.08 0.16 0.00 0.00 175.35 175.30 2dk5 s VAL 79 N 1.39 4.65 0.07 4.02 1.01 -1.18 -3.02 120.40 127.34 2dk5 s VAL 79 Ca 0.11 1.08 0.05 0.00 0.00 0.00 0.00 61.98 63.23 2dk5 s VAL 79 Cb -0.19 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2dk5 s VAL 79 CO -0.20 0.03 -0.15 -0.31 0.00 0.00 0.00 175.10 174.47 2dk5 s TYR 80 N -1.73 1.29 0.24 5.22 1.51 0.78 -0.57 117.35 124.09 2dk5 s TYR 80 Ca 0.48 -0.44 -0.19 0.00 -1.01 0.00 0.00 57.07 55.91 2dk5 s TYR 80 Cb -0.14 -0.73 0.02 0.00 -0.11 0.00 0.00 41.96 41.01 2dk5 s TYR 80 CO 0.19 0.07 0.61 0.00 -1.11 0.00 0.00 175.55 175.31 2dk5 s MET 81 N -1.68 1.59 0.25 -0.62 0.23 -0.45 -1.21 119.30 117.41 2dk5 s MET 81 Ca -0.00 -0.97 -0.30 0.00 -1.03 0.00 0.00 55.69 53.39 2dk5 s MET 81 Cb -0.10 0.56 -0.14 0.00 -1.53 0.00 0.00 34.83 33.62 2dk5 s MET 81 CO 0.02 -0.70 1.16 1.28 -2.03 0.00 0.00 175.02 174.75 2dk5 n LEU 82 N -0.40 2.17 0.12 0.18 4.77 -1.26 -0.01 117.00 122.56 2dk5 n LEU 82 Ca -0.06 1.17 -0.02 0.00 -0.03 0.00 0.00 56.01 57.06 2dk5 n LEU 82 Cb 0.61 -1.32 0.07 0.00 -2.33 0.00 0.00 43.42 40.46 2dk5 n LEU 82 CO 0.17 -1.10 0.39 0.22 -1.33 0.00 0.00 177.39 175.74 2dk5 h TYR 83 N 2.84 0.00 -0.60 -1.77 3.20 -1.32 -3.22 116.97 116.10 2dk5 h TYR 83 Ca -0.42 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.35 2dk5 h TYR 83 Cb 1.32 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.57 2dk5 h TYR 83 CO 0.51 0.71 -0.00 -0.91 -1.64 0.00 0.00 178.16 176.84 2dk5 h ASN 84 N 0.00 1.04 -3.19 -2.11 2.35 -1.87 -3.44 115.58 108.35 2dk5 h ASN 84 Ca -0.01 -0.31 -0.57 0.00 -0.55 0.00 0.00 56.30 54.87 2dk5 h ASN 84 Cb 1.34 -0.28 0.10 0.00 0.05 0.00 0.00 38.32 39.53 2dk5 h ASN 84 CO 0.09 1.10 0.58 0.18 -1.65 0.00 0.00 177.43 177.73 2dk5 n LEU 85 N -4.19 3.58 -0.04 1.61 4.77 -1.22 -4.91 117.00 116.61 2dk5 n LEU 85 Ca 0.03 1.19 -0.11 0.00 -0.03 0.00 0.00 56.01 57.08 2dk5 n LEU 85 Cb 0.35 -1.49 -0.06 0.00 -2.33 0.00 0.00 43.42 39.89 2dk5 n LEU 85 CO 0.44 -0.40 0.81 0.28 -1.33 0.00 0.00 177.39 177.19 2dk5 h SER 86 N 3.15 0.20 -4.41 -1.43 0.02 -1.89 -3.49 113.55 105.71 2dk5 h SER 86 Ca -0.46 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 2dk5 h SER 86 Cb 1.27 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2dk5 h SER 86 CO 0.67 0.36 0.00 0.61 -1.14 0.00 0.00 176.83 177.33 2dk5 n GLY 87 N -0.56 0.76 0.00 -3.77 0.00 -1.26 -4.79 105.19 95.57 2dk5 n GLY 87 Ca -0.05 -2.08 0.08 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.48 0.47 -1.55 1.61 -0.04 -1.26 -4.74 135.00 129.01 2dk5 n PRO 88 Ca 0.00 0.01 -0.37 0.00 -0.04 0.00 0.00 63.50 63.10 2dk5 n PRO 88 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 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 -1.02 2.22 -4.87 3.54 3.41 -1.26 -4.93 113.62 110.71 2dk5 n SER 89 Ca 0.11 -0.40 -0.32 0.00 -0.26 0.00 0.00 58.87 58.01 2dk5 n SER 89 Cb 0.06 -1.53 -0.05 0.00 -0.26 0.00 0.00 64.21 62.43 2dk5 n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dk5 s SER 90 N 11.67 6.66 0.00 4.04 0.15 -1.26 -5.11 113.70 129.85 2dk5 s SER 90 Ca 1.02 1.04 0.12 0.00 0.70 0.00 0.00 55.95 58.82 2dk5 s SER 90 Cb -0.28 -2.27 0.69 0.00 -1.71 0.00 0.00 66.02 62.45 2dk5 s SER 90 CO 0.29 -0.14 1.13 0.61 1.20 0.00 0.00 173.24 176.33