#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 2.75 0.33 1.61 0.01 -1.26 -5.17 113.70 111.98 2dk5 s SER 2 Ca 0.00 -1.36 -0.15 0.00 1.31 0.00 0.00 55.95 55.75 2dk5 s SER 2 Cb 0.00 -0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.10 2dk5 s SER 2 CO 0.00 -0.55 0.68 -0.55 0.41 0.00 0.00 173.24 173.22 2dk5 s SER 3 N -3.54 0.07 0.00 2.44 0.15 -1.26 -5.16 113.70 106.41 2dk5 s SER 3 Ca 0.36 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 55.97 2dk5 s SER 3 Cb 0.09 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 2dk5 s SER 3 CO 0.16 -1.47 0.00 0.61 1.20 0.00 0.00 173.24 173.74 2dk5 n GLY 4 N -0.50 -0.07 3.23 9.45 0.00 -1.26 -5.03 105.19 111.02 2dk5 n GLY 4 Ca -0.05 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.02 3.53 -0.75 1.61 0.01 -1.26 -5.07 113.70 110.75 2dk5 s SER 5 Ca 0.00 -0.51 -0.02 0.00 1.31 0.00 0.00 55.95 56.73 2dk5 s SER 5 Cb 0.00 -1.54 0.19 0.00 0.21 0.00 0.00 66.02 64.88 2dk5 s SER 5 CO 0.00 0.07 0.59 -0.44 0.41 0.00 0.00 173.24 173.88 2dk5 s SER 6 N 0.88 5.55 0.00 2.44 0.01 -1.26 -4.85 113.70 116.47 2dk5 s SER 6 Ca -0.04 -3.29 0.00 0.00 1.31 0.00 0.00 55.95 53.92 2dk5 s SER 6 Cb -0.15 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.21 2dk5 s SER 6 CO -0.02 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2dk5 n GLY 7 N 2.90 1.61 3.05 3.44 0.00 -1.26 -5.17 105.19 109.76 2dk5 n GLY 7 Ca 0.15 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 2dk5 n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dk5 s ASP 8 N 0.00 1.07 -0.34 1.61 -4.77 -1.26 -5.12 116.67 107.86 2dk5 s ASP 8 Ca 0.00 -0.35 0.00 0.00 -3.30 0.00 0.00 52.55 48.91 2dk5 s ASP 8 Cb 0.00 -0.06 0.08 0.00 -1.09 0.00 0.00 42.92 41.86 2dk5 s ASP 8 CO 0.00 -0.01 0.06 -0.55 0.70 0.00 0.00 175.17 175.36 2dk5 s SER 9 N -0.86 4.89 -0.33 2.11 0.15 -1.26 -5.05 113.70 113.36 2dk5 s SER 9 Ca -0.01 -1.78 -0.00 0.00 0.70 0.00 0.00 55.95 54.85 2dk5 s SER 9 Cb -0.06 -1.70 0.11 0.00 -1.71 0.00 0.00 66.02 62.66 2dk5 s SER 9 CO 0.00 -0.37 0.12 -1.10 1.20 0.00 0.00 173.24 173.10 2dk5 s GLN 10 N 1.09 0.77 -0.07 5.44 1.11 -1.26 -5.10 119.66 121.64 2dk5 s GLN 10 Ca 0.03 -1.21 -0.03 0.00 0.01 0.00 0.00 55.36 54.16 2dk5 s GLN 10 Cb -0.20 -1.98 0.04 0.00 -1.01 0.00 0.00 33.01 29.85 2dk5 s GLN 10 CO -0.05 -1.02 0.15 -0.80 0.01 0.00 0.00 175.29 173.58 2dk5 s ASN 11 N 1.42 0.00 -0.12 5.90 -0.87 -1.26 -5.05 114.94 114.97 2dk5 s ASN 11 Ca 0.11 0.32 -0.16 0.00 -1.57 0.00 0.00 52.86 51.57 2dk5 s ASN 11 Cb -0.19 0.22 -0.26 0.00 -0.02 0.00 0.00 41.25 41.00 2dk5 s ASN 11 CO -0.21 -0.16 0.51 0.00 -2.57 0.00 0.00 177.10 174.67 2dk5 h ALA 12 N 7.41 0.21 0.00 0.60 0.00 -2.08 -3.50 119.26 121.90 2dk5 h ALA 12 Ca -0.39 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.40 2dk5 h ALA 12 Cb 1.14 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2dk5 h ALA 12 CO 0.38 0.85 0.00 0.41 0.00 0.00 0.00 179.25 180.89 2dk5 n GLY 13 N 1.73 0.76 3.95 0.00 0.00 -1.26 -5.13 105.19 105.25 2dk5 n GLY 13 Ca -0.26 -0.68 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 2dk5 n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dk5 s LYS 14 N -1.18 3.12 -0.12 1.61 -2.85 -1.26 -5.10 119.74 113.96 2dk5 s LYS 14 Ca 0.00 -0.46 -0.04 0.00 -1.00 0.00 0.00 55.97 54.47 2dk5 s LYS 14 Cb 0.00 -2.57 -0.03 0.00 -2.06 0.00 0.00 37.83 33.17 2dk5 s LYS 14 CO 0.00 -0.23 0.01 1.41 0.10 0.00 0.00 175.35 176.64 2dk5 s MET 15 N -4.53 3.35 1.01 1.78 -2.45 -1.26 -5.10 119.30 112.09 2dk5 s MET 15 Ca 0.47 -0.41 -0.12 0.00 -1.25 0.00 0.00 55.69 54.39 2dk5 s MET 15 Cb -0.10 -2.92 0.20 0.00 1.25 0.00 0.00 34.83 33.26 2dk5 s MET 15 CO 0.38 0.52 1.08 0.21 1.05 0.00 0.00 175.02 178.26 2dk5 s LYS 16 N -0.37 0.28 0.00 4.11 2.20 -1.26 -4.93 119.74 119.77 2dk5 s LYS 16 Ca 0.07 1.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.71 2dk5 s LYS 16 Cb -0.12 -1.68 0.00 0.00 -1.51 0.00 0.00 37.83 34.52 2dk5 s LYS 16 CO 0.02 -2.97 0.00 0.41 -0.36 0.00 0.00 175.35 172.45 2dk5 n GLY 17 N 0.03 2.12 0.24 5.54 0.00 -1.26 -4.89 105.19 106.97 2dk5 n GLY 17 Ca 0.07 -1.29 0.11 0.00 0.00 0.00 0.00 46.02 44.91 2dk5 n GLY 17 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dk5 n SER 18 N 0.00 0.73 -4.79 1.61 3.41 -1.26 -4.83 113.62 108.49 2dk5 n SER 18 Ca 0.00 -1.47 -0.32 0.00 -0.26 0.00 0.00 58.87 56.82 2dk5 n SER 18 Cb 0.00 -0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.68 5.68 -0.37 4.04 1.01 -1.26 -5.02 116.67 119.06 2dk5 s ASP 19 Ca 0.33 0.10 0.06 0.00 0.71 0.00 0.00 52.55 53.75 2dk5 s ASP 19 Cb 0.16 -1.60 0.48 0.00 1.01 0.00 0.00 42.92 42.97 2dk5 s ASP 19 CO 0.26 0.23 1.49 -0.46 0.21 0.00 0.00 175.17 176.90 2dk5 n ASN 20 N 0.87 4.43 -0.12 0.27 0.23 -1.26 -4.62 115.26 115.06 2dk5 n ASN 20 Ca -0.11 -3.78 -0.25 0.00 -0.53 0.00 0.00 54.58 49.91 2dk5 n ASN 20 Cb 0.52 -0.60 -0.11 0.00 -2.08 0.00 0.00 39.78 37.51 2dk5 n ASN 20 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2dk5 n GLN 21 N -0.93 0.62 0.16 -3.83 3.00 -1.26 -3.70 117.38 111.44 2dk5 n GLN 21 Ca 0.43 0.27 0.13 0.00 -0.01 0.00 0.00 57.00 57.82 2dk5 n GLN 21 Cb 0.94 -1.55 0.50 0.00 0.00 0.00 0.00 30.24 30.13 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 -0.61 0.00 0.07 -1.09 4.81 -1.98 -2.71 114.58 113.06 2dk5 h GLU 22 Ca -0.60 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.32 2dk5 h GLU 22 Cb 1.70 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.05 2dk5 h GLU 22 CO -0.26 0.00 -1.64 1.57 -0.73 0.00 0.00 179.01 177.96 2dk5 h LYS 23 N 0.00 0.14 -0.13 1.92 2.10 -1.84 -3.06 116.57 115.70 2dk5 h LYS 23 Ca 0.00 -0.24 -0.17 0.00 -2.00 0.00 0.00 60.65 58.24 2dk5 h LYS 23 Cb 0.49 0.09 -0.00 0.00 -0.90 0.00 0.00 32.23 31.91 2dk5 h LYS 23 CO 0.00 0.90 -0.65 1.25 -2.00 0.00 0.00 179.45 178.95 2dk5 h LEU 24 N 0.04 0.56 0.01 7.07 5.85 -1.60 -2.91 115.31 124.33 2dk5 h LEU 24 Ca -0.27 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.11 2dk5 h LEU 24 Cb 2.00 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.86 2dk5 h LEU 24 CO 0.12 1.06 -0.01 0.58 -0.34 0.00 0.00 178.44 179.85 2dk5 h VAL 25 N 0.35 1.44 -0.90 1.05 2.07 -1.63 -2.99 116.25 115.64 2dk5 h VAL 25 Ca -0.02 -1.40 0.17 0.00 0.82 0.00 0.00 66.70 66.27 2dk5 h VAL 25 Cb 1.21 2.39 -0.07 0.00 -1.52 0.00 0.00 31.29 33.30 2dk5 h VAL 25 CO 0.12 0.36 0.58 0.22 0.02 0.00 0.00 177.57 178.87 2dk5 h TYR 26 N -0.62 0.76 -0.32 1.57 3.20 -1.60 0.11 116.97 120.06 2dk5 h TYR 26 Ca -0.00 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 2dk5 h TYR 26 Cb 0.60 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 2dk5 h TYR 26 CO 0.13 0.25 -0.20 1.96 -1.64 0.00 0.00 178.16 178.66 2dk5 h GLN 27 N 0.61 0.60 0.00 1.82 1.08 -1.52 -2.39 115.11 115.32 2dk5 h GLN 27 Ca 0.47 -0.22 -0.11 0.00 -1.45 0.00 0.00 58.65 57.34 2dk5 h GLN 27 Cb 0.87 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.25 2dk5 h GLN 27 CO -0.22 0.77 -0.54 0.82 -0.95 0.00 0.00 178.83 178.71 2dk5 h ILE 28 N 0.54 1.30 -0.08 2.54 2.04 -0.67 -2.71 117.51 120.47 2dk5 h ILE 28 Ca 0.08 -1.89 -0.06 0.00 1.00 0.00 0.00 64.86 64.00 2dk5 h ILE 28 Cb 0.64 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 2dk5 h ILE 28 CO 0.05 0.53 -0.17 0.40 0.00 0.00 0.00 178.15 178.95 2dk5 h ILE 29 N 0.00 1.41 0.00 -0.67 2.04 -0.97 -3.08 117.51 116.24 2dk5 h ILE 29 Ca -0.01 -1.48 -0.04 0.00 1.00 0.00 0.00 64.86 64.34 2dk5 h ILE 29 Cb 1.00 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 2dk5 h ILE 29 CO 0.07 0.42 -0.17 1.05 0.00 0.00 0.00 178.15 179.52 2dk5 h GLU 30 N -0.22 0.00 -0.46 2.37 4.11 -1.44 -2.28 114.58 116.67 2dk5 h GLU 30 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 2dk5 h GLU 30 Cb 0.76 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 2dk5 h GLU 30 CO 0.04 0.17 -0.02 0.22 0.07 0.00 0.00 179.01 179.48 2dk5 h ASP 31 N 0.00 0.73 -0.96 3.06 1.82 -1.44 -2.77 116.42 116.87 2dk5 h ASP 31 Ca -0.00 -0.18 0.12 0.00 -0.39 0.00 0.00 57.03 56.58 2dk5 h ASP 31 Cb 0.30 -0.20 -0.08 0.00 0.68 0.00 0.00 39.33 40.04 2dk5 h ASP 31 CO 0.02 0.82 0.61 0.00 -1.61 0.00 0.00 179.24 179.08 2dk5 h ALA 32 N 1.27 1.62 0.00 -0.78 0.00 -1.32 -3.48 119.26 116.56 2dk5 h ALA 32 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2dk5 h ALA 32 Cb 0.47 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2dk5 h ALA 32 CO 0.02 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.83 2dk5 n GLY 33 N -1.38 -1.87 0.28 0.00 0.00 -1.05 -4.16 105.19 97.02 2dk5 n GLY 33 Ca 0.18 -1.65 0.07 0.00 0.00 0.00 0.00 46.02 44.62 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 0.07 -1.01 1.61 4.21 -1.93 0.14 115.58 118.67 2dk5 h ASN 34 Ca 0.00 0.15 0.26 0.00 1.21 0.00 0.00 56.30 57.92 2dk5 h ASN 34 Cb 0.00 0.19 -0.13 0.00 -1.12 0.00 0.00 38.32 37.26 2dk5 h ASN 34 CO 0.00 -0.03 0.59 0.11 -1.29 0.00 0.00 177.43 176.81 2dk5 h LYS 35 N 0.29 0.50 0.00 0.81 1.57 -2.00 -3.48 116.57 114.27 2dk5 h LYS 35 Ca 0.44 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2dk5 h LYS 35 Cb 0.77 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2dk5 h LYS 35 CO -0.52 0.33 0.00 0.41 -0.57 0.00 0.00 179.45 179.11 2dk5 n GLY 36 N -1.31 -2.05 3.16 3.86 0.00 0.48 -4.98 105.19 104.35 2dk5 n GLY 36 Ca 0.28 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.12 0.11 0.00 -0.61 2.07 -1.06 -4.66 121.20 116.94 2dk5 s ILE 37 Ca 0.00 -0.87 -0.20 0.00 -1.41 0.00 0.00 60.65 58.17 2dk5 s ILE 37 Cb 0.00 -0.80 -0.06 0.00 0.13 0.00 0.00 42.46 41.73 2dk5 s ILE 37 CO 0.00 -0.48 0.57 0.86 -1.91 0.00 0.00 174.94 173.98 2dk5 s TRP 38 N -2.28 3.70 0.40 3.50 -0.00 -1.26 -0.42 118.94 122.58 2dk5 s TRP 38 Ca -0.07 1.19 0.25 0.00 -0.00 0.00 0.00 56.10 57.46 2dk5 s TRP 38 Cb -0.03 -2.57 1.35 0.00 -0.00 0.00 0.00 33.47 32.23 2dk5 s TRP 38 CO -0.03 0.40 1.61 1.03 -0.00 0.00 0.00 176.95 179.97 2dk5 h SER 39 N 5.44 0.31 0.56 5.86 0.87 -1.92 0.16 113.55 124.82 2dk5 h SER 39 Ca -0.46 0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.26 2dk5 h SER 39 Cb 1.20 0.17 0.01 0.00 -0.44 0.00 0.00 62.40 63.34 2dk5 h SER 39 CO 0.68 -0.26 -0.27 0.03 -0.53 0.00 0.00 176.83 176.48 2dk5 h ARG 40 N 0.09 -0.73 -1.23 2.24 -0.00 -1.92 -3.02 114.38 109.82 2dk5 h ARG 40 Ca 0.82 0.05 0.36 0.00 -0.50 0.00 0.00 59.98 60.71 2dk5 h ARG 40 Cb 2.35 0.17 -0.05 0.00 0.00 0.00 0.00 29.97 32.44 2dk5 h ARG 40 CO -0.56 -0.49 1.21 -0.25 0.00 0.00 0.00 179.97 179.88 2dk5 n ASP 41 N -5.15 0.00 -0.01 7.04 9.92 0.01 0.93 116.55 129.29 2dk5 n ASP 41 Ca -0.09 0.77 -0.11 0.00 -0.53 0.00 0.00 54.79 54.83 2dk5 n ASP 41 Cb 0.30 -0.31 -0.09 0.00 -0.64 0.00 0.00 41.12 40.38 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 1.16 -0.74 2.53 2.07 -1.35 -3.12 116.25 116.79 2dk5 h VAL 42 Ca 0.58 -1.56 0.23 0.00 0.82 0.00 0.00 66.70 66.77 2dk5 h VAL 42 Cb 2.99 2.06 -0.14 0.00 -1.52 0.00 0.00 31.29 34.68 2dk5 h VAL 42 CO -0.01 0.34 0.11 0.54 0.02 0.00 0.00 177.57 178.57 2dk5 n ARG 43 N -4.78 -0.06 0.09 1.57 1.74 0.26 0.69 116.66 116.18 2dk5 n ARG 43 Ca -0.08 1.08 -0.12 0.00 -0.77 0.00 0.00 57.85 57.97 2dk5 n ARG 43 Cb 0.31 -1.77 -0.08 0.00 -1.02 0.00 0.00 32.46 29.90 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 -0.26 0.67 -1.55 -1.99 -1.64 -1.27 116.97 110.93 2dk5 h TYR 44 Ca 0.49 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 61.18 2dk5 h TYR 44 Cb 1.09 0.09 -0.00 0.00 2.00 0.00 0.00 36.73 39.91 2dk5 h TYR 44 CO -0.29 0.14 -0.41 0.87 -0.00 0.00 0.00 178.16 178.48 2dk5 h LYS 45 N -0.80 -0.97 0.00 4.88 1.79 0.17 -1.68 116.57 119.96 2dk5 h LYS 45 Ca -0.03 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2dk5 h LYS 45 Cb 0.51 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 2dk5 h LYS 45 CO 0.05 -0.65 0.00 -1.13 -1.08 0.00 0.00 179.45 176.64 2dk5 n SER 46 N -4.98 0.06 -2.96 0.86 3.41 0.22 -4.80 113.62 105.43 2dk5 n SER 46 Ca -0.12 0.53 -0.19 0.00 -0.26 0.00 0.00 58.87 58.83 2dk5 n SER 46 Cb 0.42 -0.53 -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 -3.20 -0.16 0.00 0.00 175.04 171.68 2dk5 n ASN 47 N -1.58 -4.03 -4.46 4.04 5.15 -0.53 -4.93 115.26 108.92 2dk5 n ASN 47 Ca 0.00 -0.14 -0.26 0.00 -0.60 0.00 0.00 54.58 53.58 2dk5 n ASN 47 Cb 0.03 -3.36 -0.11 0.00 -0.53 0.00 0.00 39.78 35.81 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 -6.16 2.55 0.66 1.20 1.43 -0.87 -5.02 118.68 112.48 2dk5 s LEU 48 Ca 0.23 -0.86 -0.15 0.00 -1.03 0.00 0.00 54.13 52.33 2dk5 s LEU 48 Cb -0.12 -1.23 0.00 0.00 0.03 0.00 0.00 46.19 44.87 2dk5 s LEU 48 CO 0.28 0.10 1.11 -2.16 0.23 0.00 0.00 176.35 175.91 2dk5 s PRO 49 N -2.88 2.77 0.21 1.29 0.04 -1.26 -4.57 135.00 130.60 2dk5 s PRO 49 Ca 0.23 1.38 -0.15 0.00 0.04 0.00 0.00 61.00 62.51 2dk5 s PRO 49 Cb -0.07 -1.95 0.23 0.00 0.04 0.00 0.00 34.50 32.74 2dk5 s PRO 49 CO 0.12 -1.27 1.61 1.25 0.04 0.00 0.00 177.00 178.75 2dk5 h LEU 50 N -0.02 -0.78 -1.92 -3.56 7.12 -1.98 0.81 115.31 114.98 2dk5 h LEU 50 Ca -0.47 0.21 0.15 0.00 0.13 0.00 0.00 57.88 57.90 2dk5 h LEU 50 Cb 1.25 0.46 -0.02 0.00 -0.53 0.00 0.00 40.66 41.82 2dk5 h LEU 50 CO 0.54 -0.25 0.52 0.00 -0.13 0.00 0.00 178.44 179.12 2dk5 h THR 51 N -0.05 0.37 0.15 1.05 1.03 -2.00 0.18 112.91 113.65 2dk5 h THR 51 Ca 0.30 0.00 -0.33 0.00 -0.01 0.00 0.00 66.41 66.37 2dk5 h THR 51 Cb 0.52 0.60 -0.00 0.00 -1.07 0.00 0.00 68.15 68.19 2dk5 h THR 51 CO -0.69 0.00 -1.70 -0.33 -0.01 0.00 0.00 175.52 172.79 2dk5 h GLU 52 N 0.00 0.31 -0.12 0.00 4.39 0.21 -3.22 114.58 116.15 2dk5 h GLU 52 Ca 0.24 -0.53 -0.07 0.00 0.34 0.00 0.00 59.36 59.35 2dk5 h GLU 52 Cb 1.27 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 30.10 2dk5 h GLU 52 CO -0.00 1.25 -0.22 0.82 -1.16 0.00 0.00 179.01 179.70 2dk5 h ILE 53 N -0.06 1.22 0.15 3.13 5.03 0.88 0.64 117.51 128.49 2dk5 h ILE 53 Ca -0.35 -1.00 -0.01 0.00 -0.12 0.00 0.00 64.86 63.38 2dk5 h ILE 53 Cb 1.96 1.38 0.00 0.00 -3.03 0.00 0.00 36.82 37.12 2dk5 h ILE 53 CO 0.11 0.30 -0.07 0.78 -0.68 0.00 0.00 178.15 178.59 2dk5 h ASN 54 N 0.19 -0.17 -0.64 1.72 -0.26 -0.87 0.96 115.58 116.51 2dk5 h ASN 54 Ca 0.03 -0.34 -0.09 0.00 -0.56 0.00 0.00 56.30 55.35 2dk5 h ASN 54 Cb 0.51 0.04 -0.02 0.00 -1.06 0.00 0.00 38.32 37.79 2dk5 h ASN 54 CO 0.03 0.29 0.05 0.07 -1.06 0.00 0.00 177.43 176.81 2dk5 h LYS 55 N -0.67 1.10 0.37 0.81 2.10 -1.55 -2.36 116.57 116.37 2dk5 h LYS 55 Ca -0.02 -0.32 -0.02 0.00 -2.00 0.00 0.00 60.65 58.29 2dk5 h LYS 55 Cb 0.49 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 2dk5 h LYS 55 CO 0.03 1.04 -0.18 0.82 -2.00 0.00 0.00 179.45 179.17 2dk5 h ILE 56 N 1.01 0.56 -1.00 0.07 2.04 -0.91 0.74 117.51 120.02 2dk5 h ILE 56 Ca 0.19 -0.58 0.22 0.00 1.00 0.00 0.00 64.86 65.69 2dk5 h ILE 56 Cb 0.51 0.82 -0.12 0.00 -0.74 0.00 0.00 36.82 37.29 2dk5 h ILE 56 CO 0.02 0.10 0.60 -0.07 0.00 0.00 0.00 178.15 178.80 2dk5 h LEU 57 N -0.85 0.73 0.35 1.44 3.38 -0.82 -2.17 115.31 117.36 2dk5 h LEU 57 Ca -0.05 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2dk5 h LEU 57 Cb 0.54 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2dk5 h LEU 57 CO 0.08 0.19 -0.17 0.50 0.09 0.00 0.00 178.44 179.13 2dk5 h LYS 58 N 0.67 -0.46 -0.75 1.13 1.63 -1.38 -3.18 116.57 114.24 2dk5 h LYS 58 Ca 0.61 0.03 0.12 0.00 -0.85 0.00 0.00 60.65 60.56 2dk5 h LYS 58 Cb 1.05 0.10 -0.12 0.00 -0.60 0.00 0.00 32.23 32.67 2dk5 h LYS 58 CO -0.43 -0.30 -0.28 0.09 -3.45 0.00 0.00 179.45 175.08 2dk5 n ASN 59 N -5.09 -0.47 -0.16 4.20 3.02 0.25 0.15 115.26 117.16 2dk5 n ASN 59 Ca -0.06 1.31 -0.03 0.00 -0.03 0.00 0.00 54.58 55.77 2dk5 n ASN 59 Cb 0.19 -0.31 0.06 0.00 -0.61 0.00 0.00 39.78 39.12 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 0.04 -1.30 3.41 3.38 -1.51 0.23 115.31 119.55 2dk5 h LEU 60 Ca 0.27 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2dk5 h LEU 60 Cb 0.46 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2dk5 h LEU 60 CO -0.75 0.05 0.20 -0.33 0.09 0.00 0.00 178.44 177.70 2dk5 h GLU 61 N 0.26 0.00 0.00 1.13 5.08 0.14 0.39 114.58 121.58 2dk5 h GLU 61 Ca 0.25 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.38 2dk5 h GLU 61 Cb 0.31 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2dk5 h GLU 61 CO -0.31 0.00 -1.62 0.45 -1.00 0.00 0.00 179.01 176.54 2dk5 n SER 62 N -2.28 0.76 -0.72 1.42 2.88 0.78 -3.89 113.62 112.57 2dk5 n SER 62 Ca -0.01 0.35 0.04 0.00 -1.33 0.00 0.00 58.87 57.91 2dk5 n SER 62 Cb 0.23 0.21 0.14 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 -2.91 1.98 -2.49 -1.46 5.02 0.13 -4.87 118.16 113.57 2dk5 n LYS 63 Ca -0.14 -1.08 -0.19 0.00 -2.02 0.00 0.00 58.31 54.88 2dk5 n LYS 63 Cb 0.93 -1.45 -0.00 0.00 -0.02 0.00 0.00 35.03 34.49 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 0.29 -2.14 -0.06 1.97 5.02 -1.12 -4.86 118.16 117.26 2dk5 n LYS 64 Ca 0.10 0.88 -0.20 0.00 -2.02 0.00 0.00 58.31 57.07 2dk5 n LYS 64 Cb 0.39 -5.55 -0.13 0.00 -0.02 0.00 0.00 35.03 29.72 2dk5 n LYS 64 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2dk5 n LEU 65 N -3.06 2.78 -4.29 -0.35 4.77 -1.12 -4.64 117.00 111.09 2dk5 n LEU 65 Ca -0.20 0.05 -0.18 0.00 -0.03 0.00 0.00 56.01 55.64 2dk5 n LEU 65 Cb 0.66 -1.01 -0.09 0.00 -2.33 0.00 0.00 43.42 40.65 2dk5 n LEU 65 CO 0.28 0.88 -0.16 0.27 -1.33 0.00 0.00 177.39 177.33 2dk5 s ILE 66 N -2.54 0.10 0.15 -0.08 -4.36 -1.25 0.22 121.20 113.45 2dk5 s ILE 66 Ca -0.29 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.00 2dk5 s ILE 66 Cb 0.08 -2.49 -0.00 0.00 1.25 0.00 0.00 42.46 41.30 2dk5 s ILE 66 CO 0.68 0.00 0.31 -1.59 0.24 0.00 0.00 174.94 174.58 2dk5 s LYS 67 N -3.69 1.13 -0.26 0.37 -2.85 -0.11 -4.12 119.74 110.21 2dk5 s LYS 67 Ca 0.38 -1.08 -0.14 0.00 -1.00 0.00 0.00 55.97 54.14 2dk5 s LYS 67 Cb 0.04 0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 2dk5 s LYS 67 CO 0.21 -0.42 0.32 0.00 0.10 0.00 0.00 175.35 175.56 2dk5 s ALA 68 N -3.93 3.56 0.11 0.59 0.00 -1.26 -2.15 121.76 118.68 2dk5 s ALA 68 Ca 0.13 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.32 2dk5 s ALA 68 Cb 0.03 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 2dk5 s ALA 68 CO -0.03 -0.56 -0.21 0.08 0.00 0.00 0.00 175.76 175.04 2dk5 s VAL 69 N 1.85 1.74 -0.12 0.00 1.01 0.76 -4.98 120.40 120.67 2dk5 s VAL 69 Ca 0.13 -1.59 0.02 0.00 0.00 0.00 0.00 61.98 60.55 2dk5 s VAL 69 Cb -0.16 -1.60 -0.00 0.00 0.00 0.00 0.00 36.38 34.62 2dk5 s VAL 69 CO 0.10 -0.08 -0.20 -0.75 0.00 0.00 0.00 175.10 174.17 2dk5 s LYS 70 N -2.00 3.17 0.86 2.72 2.20 -1.26 -1.41 119.74 124.02 2dk5 s LYS 70 Ca 0.07 -0.80 -0.11 0.00 -0.36 0.00 0.00 55.97 54.78 2dk5 s LYS 70 Cb -0.10 -2.44 0.11 0.00 -1.51 0.00 0.00 37.83 33.89 2dk5 s LYS 70 CO 0.04 0.17 1.11 -1.54 -0.36 0.00 0.00 175.35 174.77 2dk5 s SER 71 N 0.41 3.65 0.44 1.43 1.04 -1.26 -4.88 113.70 114.52 2dk5 s SER 71 Ca -0.15 1.87 0.22 0.00 0.48 0.00 0.00 55.95 58.38 2dk5 s SER 71 Cb -0.17 -2.47 1.20 0.00 0.10 0.00 0.00 66.02 64.69 2dk5 s SER 71 CO 0.07 -2.59 1.80 1.62 0.98 0.00 0.00 173.24 175.12 2dk5 h VAL 72 N -1.51 0.53 -2.99 5.02 3.04 -2.01 -3.41 116.25 114.91 2dk5 h VAL 72 Ca -0.45 -0.10 -0.57 0.00 -1.01 0.00 0.00 66.70 64.56 2dk5 h VAL 72 Cb 1.26 0.20 0.09 0.00 -2.01 0.00 0.00 31.29 30.83 2dk5 h VAL 72 CO 0.49 0.05 0.61 0.00 -1.01 0.00 0.00 177.57 177.71 2dk5 n ALA 73 N -2.55 1.38 -1.09 3.17 0.00 -1.26 -4.87 120.51 115.30 2dk5 n ALA 73 Ca 0.24 0.39 -0.20 0.00 0.00 0.00 0.00 53.44 53.87 2dk5 n ALA 73 Cb 0.92 -2.29 -0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 1.37 5.60 -2.72 0.00 0.00 -1.26 -4.91 120.51 118.59 2dk5 n ALA 74 Ca 0.09 -2.10 -0.35 0.00 0.00 0.00 0.00 53.44 51.08 2dk5 n ALA 74 Cb 0.34 -1.67 -0.09 0.00 0.00 0.00 0.00 19.45 18.03 2dk5 n ALA 74 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dk5 s SER 75 N 0.35 5.44 -0.71 0.00 0.01 -1.26 -5.02 113.70 112.51 2dk5 s SER 75 Ca 0.41 0.17 -0.26 0.00 1.31 0.00 0.00 55.95 57.59 2dk5 s SER 75 Cb 0.29 -1.56 -0.12 0.00 0.21 0.00 0.00 66.02 64.85 2dk5 s SER 75 CO -0.08 0.36 2.39 -0.75 0.41 0.00 0.00 173.24 175.57 2dk5 s LYS 76 N -1.09 1.76 0.35 12.44 2.47 -1.26 -4.84 119.74 129.56 2dk5 s LYS 76 Ca 0.15 0.71 0.04 0.00 -1.56 0.00 0.00 55.97 55.31 2dk5 s LYS 76 Cb -0.12 -4.74 -0.01 0.00 -1.46 0.00 0.00 37.83 31.50 2dk5 s LYS 76 CO 0.05 -4.11 0.38 0.15 0.16 0.00 0.00 175.35 171.99 2dk5 s LYS 77 N 8.66 1.89 -0.28 4.03 1.02 -1.26 -5.16 119.74 128.65 2dk5 s LYS 77 Ca 0.93 -1.95 -0.01 0.00 0.02 0.00 0.00 55.97 54.96 2dk5 s LYS 77 Cb -0.14 0.38 0.17 0.00 -0.52 0.00 0.00 37.83 37.72 2dk5 s LYS 77 CO 0.12 -0.74 0.49 0.21 -0.92 0.00 0.00 175.35 174.52 2dk5 s LYS 78 N -3.15 0.47 -0.00 1.68 2.47 -1.26 -4.96 119.74 114.98 2dk5 s LYS 78 Ca 0.36 0.73 -0.02 0.00 -1.56 0.00 0.00 55.97 55.48 2dk5 s LYS 78 Cb 0.01 0.05 -0.04 0.00 -1.46 0.00 0.00 37.83 36.39 2dk5 s LYS 78 CO 0.26 -0.68 0.18 0.08 0.16 0.00 0.00 175.35 175.35 2dk5 s VAL 79 N 2.71 5.41 -0.13 4.02 1.01 -0.50 -2.95 120.40 129.97 2dk5 s VAL 79 Ca 0.16 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.96 2dk5 s VAL 79 Cb -0.15 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.71 2dk5 s VAL 79 CO -0.20 0.31 -0.15 -0.31 0.00 0.00 0.00 175.10 174.75 2dk5 s TYR 80 N -1.34 2.13 0.08 5.22 1.51 0.45 -0.17 117.35 125.23 2dk5 s TYR 80 Ca 0.28 -1.10 0.02 0.00 -1.01 0.00 0.00 57.07 55.25 2dk5 s TYR 80 Cb -0.13 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 40.15 2dk5 s TYR 80 CO 0.20 -0.58 -0.07 0.00 -1.11 0.00 0.00 175.55 173.99 2dk5 s MET 81 N 1.21 0.74 0.43 -0.62 0.23 -0.91 -2.55 119.30 117.83 2dk5 s MET 81 Ca -0.01 -1.17 -0.16 0.00 -1.03 0.00 0.00 55.69 53.32 2dk5 s MET 81 Cb -0.14 -0.22 -0.13 0.00 -1.53 0.00 0.00 34.83 32.81 2dk5 s MET 81 CO -0.06 0.00 -0.10 1.28 -2.03 0.00 0.00 175.02 174.11 2dk5 n LEU 82 N 0.39 -3.16 0.11 0.18 4.77 -1.26 -0.94 117.00 117.08 2dk5 n LEU 82 Ca -0.15 0.58 0.02 0.00 -0.03 0.00 0.00 56.01 56.43 2dk5 n LEU 82 Cb 0.59 -0.75 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 2dk5 n LEU 82 CO 0.27 -4.16 0.23 0.22 -1.33 0.00 0.00 177.39 172.62 2dk5 h TYR 83 N 0.01 0.00 -0.43 -1.77 3.20 -0.45 -3.31 116.97 114.22 2dk5 h TYR 83 Ca -0.36 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.43 2dk5 h TYR 83 Cb 1.27 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 2dk5 h TYR 83 CO 0.20 0.50 -0.07 -0.91 -1.64 0.00 0.00 178.16 176.25 2dk5 h ASN 84 N 0.00 0.72 -3.68 -2.11 4.21 -1.84 -3.44 115.58 109.43 2dk5 h ASN 84 Ca -0.05 -0.19 -0.56 0.00 1.21 0.00 0.00 56.30 56.70 2dk5 h ASN 84 Cb 1.43 -0.19 0.17 0.00 -1.12 0.00 0.00 38.32 38.60 2dk5 h ASN 84 CO 0.06 0.83 0.13 0.18 -1.29 0.00 0.00 177.43 177.34 2dk5 n LEU 85 N -4.19 3.75 0.07 1.61 4.77 -1.24 -4.93 117.00 116.83 2dk5 n LEU 85 Ca 0.02 0.75 -0.14 0.00 -0.03 0.00 0.00 56.01 56.60 2dk5 n LEU 85 Cb 0.33 -1.40 -0.14 0.00 -2.33 0.00 0.00 43.42 39.88 2dk5 n LEU 85 CO 0.42 -1.91 -0.18 0.28 -1.33 0.00 0.00 177.39 174.67 2dk5 h SER 86 N 0.18 0.29 0.00 -1.43 0.02 -1.91 -3.50 113.55 107.20 2dk5 h SER 86 Ca -0.48 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 2dk5 h SER 86 Cb 1.35 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2dk5 h SER 86 CO 0.49 1.30 0.00 0.61 -1.14 0.00 0.00 176.83 178.09 2dk5 n GLY 87 N 1.56 -1.44 3.77 -3.77 0.00 -1.26 -4.94 105.19 99.11 2dk5 n GLY 87 Ca -0.11 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 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 0.00 3.49 0.48 1.61 0.04 -1.26 -5.06 135.00 134.30 2dk5 s PRO 88 Ca 0.00 1.67 0.07 0.00 0.04 0.00 0.00 61.00 62.78 2dk5 s PRO 88 Cb 0.00 -2.14 0.01 0.00 0.04 0.00 0.00 34.50 32.41 2dk5 s PRO 88 CO 0.00 -0.75 0.41 -1.12 0.04 0.00 0.00 177.00 175.59 2dk5 s SER 89 N -1.63 4.84 0.74 6.66 0.01 -1.26 -5.14 113.70 117.92 2dk5 s SER 89 Ca 0.70 -0.98 -0.07 0.00 1.31 0.00 0.00 55.95 56.91 2dk5 s SER 89 Cb -0.25 -0.10 0.09 0.00 0.21 0.00 0.00 66.02 65.96 2dk5 s SER 89 CO 0.30 -0.88 1.05 -0.44 0.41 0.00 0.00 173.24 173.67 2dk5 s SER 90 N -4.22 4.54 0.00 2.44 0.01 -1.26 -5.25 113.70 109.96 2dk5 s SER 90 Ca 0.43 0.32 0.00 0.00 1.31 0.00 0.00 55.95 58.01 2dk5 s SER 90 Cb -0.02 -0.85 0.00 0.00 0.21 0.00 0.00 66.02 65.35 2dk5 s SER 90 CO 0.26 -1.77 0.00 0.61 0.41 0.00 0.00 173.24 172.74