#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 -0.08 0.00 1.61 0.15 -1.26 -5.09 113.70 109.04 2dk5 s SER 2 Ca 0.00 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.74 2dk5 s SER 2 Cb 0.00 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 2dk5 s SER 2 CO 0.00 -1.49 0.00 -1.20 1.20 0.00 0.00 173.24 171.75 2dk5 n SER 3 N -0.93 1.55 0.00 5.45 7.64 -1.26 -5.16 113.62 120.90 2dk5 n SER 3 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2dk5 n SER 3 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2dk5 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk5 n GLY 4 N 2.72 2.83 3.66 0.23 0.00 -1.26 -4.99 105.19 108.38 2dk5 n GLY 4 Ca 0.00 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 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 6.69 -0.17 1.61 0.01 -1.26 -4.97 113.70 115.61 2dk5 s SER 5 Ca 0.00 2.21 -0.28 0.00 1.31 0.00 0.00 55.95 59.19 2dk5 s SER 5 Cb 0.00 -2.54 0.09 0.00 0.21 0.00 0.00 66.02 63.78 2dk5 s SER 5 CO 0.00 -0.90 0.81 -0.55 0.41 0.00 0.00 173.24 173.01 2dk5 s SER 6 N 3.13 -0.60 0.00 2.44 0.15 -1.26 -5.12 113.70 112.44 2dk5 s SER 6 Ca 0.72 0.90 0.00 0.00 0.70 0.00 0.00 55.95 58.27 2dk5 s SER 6 Cb -0.33 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2dk5 s SER 6 CO 0.29 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.96 2dk5 n GLY 7 N 1.61 0.97 3.10 9.45 0.00 -1.26 -4.99 105.19 114.07 2dk5 n GLY 7 Ca -0.15 -1.44 -0.18 0.00 0.00 0.00 0.00 46.02 44.26 2dk5 n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dk5 n ASP 8 N 0.00 -4.57 -3.95 1.61 2.03 -1.26 -5.02 116.55 105.40 2dk5 n ASP 8 Ca 0.00 -0.44 -0.25 0.00 0.52 0.00 0.00 54.79 54.62 2dk5 n ASP 8 Cb 0.00 -4.11 -0.17 0.00 -0.72 0.00 0.00 41.12 36.12 2dk5 n ASP 8 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2dk5 s SER 9 N -3.47 1.80 0.46 1.67 1.04 -1.26 -5.14 113.70 108.80 2dk5 s SER 9 Ca 0.34 -0.27 -0.05 0.00 0.48 0.00 0.00 55.95 56.45 2dk5 s SER 9 Cb -0.15 -0.76 -0.04 0.00 0.10 0.00 0.00 66.02 65.16 2dk5 s SER 9 CO 0.58 -0.05 0.76 -1.10 0.98 0.00 0.00 173.24 174.41 2dk5 s GLN 10 N 1.14 3.57 -0.67 4.02 1.11 -1.26 -4.99 119.66 122.58 2dk5 s GLN 10 Ca -0.06 0.19 -0.02 0.00 0.01 0.00 0.00 55.36 55.48 2dk5 s GLN 10 Cb -0.14 -2.41 0.42 0.00 -1.01 0.00 0.00 33.01 29.87 2dk5 s GLN 10 CO -0.02 -0.15 2.05 0.09 0.01 0.00 0.00 175.29 177.27 2dk5 n ASN 11 N -2.06 7.60 -0.06 5.90 3.02 -1.26 -4.44 115.26 123.96 2dk5 n ASN 11 Ca 0.00 -3.75 -0.22 0.00 -0.03 0.00 0.00 54.58 50.59 2dk5 n ASN 11 Cb 0.55 -1.00 -0.13 0.00 -0.61 0.00 0.00 39.78 38.59 2dk5 n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dk5 n ALA 12 N -0.76 1.00 -1.12 5.41 0.00 -1.26 -5.04 120.51 118.74 2dk5 n ALA 12 Ca 0.60 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2dk5 n ALA 12 Cb 0.59 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 1.82 0.52 3.92 0.00 0.00 -1.26 -4.88 105.19 105.32 2dk5 n GLY 13 Ca -0.37 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.97 3.31 -0.64 1.61 -2.85 -1.26 -4.93 119.74 113.01 2dk5 s LYS 14 Ca 0.00 -0.07 -0.22 0.00 -1.00 0.00 0.00 55.97 54.68 2dk5 s LYS 14 Cb 0.00 -2.44 0.08 0.00 -2.06 0.00 0.00 37.83 33.41 2dk5 s LYS 14 CO 0.00 -0.26 0.90 -1.64 0.10 0.00 0.00 175.35 174.46 2dk5 s MET 15 N -4.68 3.10 -1.19 1.78 -1.94 -1.26 -4.97 119.30 110.14 2dk5 s MET 15 Ca 0.48 -0.92 -0.14 0.00 -1.71 0.00 0.00 55.69 53.40 2dk5 s MET 15 Cb -0.10 -4.23 0.17 0.00 2.01 0.00 0.00 34.83 32.68 2dk5 s MET 15 CO 0.42 -1.74 1.41 0.21 -0.01 0.00 0.00 175.02 175.31 2dk5 s LYS 16 N 3.76 4.07 0.00 2.03 2.47 -1.26 -4.83 119.74 125.98 2dk5 s LYS 16 Ca 0.20 -2.56 0.00 0.00 -1.56 0.00 0.00 55.97 52.05 2dk5 s LYS 16 Cb -0.18 -5.04 0.00 0.00 -1.46 0.00 0.00 37.83 31.14 2dk5 s LYS 16 CO 0.10 -1.75 0.00 0.41 0.16 0.00 0.00 175.35 174.26 2dk5 n GLY 17 N 4.13 4.44 3.74 5.54 0.00 -1.26 -5.09 105.19 116.70 2dk5 n GLY 17 Ca 0.36 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 3.72 -3.61 1.61 3.41 -1.26 -5.00 113.62 112.49 2dk5 n SER 18 Ca 0.00 1.16 -0.12 0.00 -0.26 0.00 0.00 58.87 59.65 2dk5 n SER 18 Cb 0.00 -1.58 -0.07 0.00 -0.26 0.00 0.00 64.21 62.30 2dk5 n SER 18 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dk5 s ASP 19 N 0.33 -0.58 -0.04 4.04 -1.08 -1.26 -5.05 116.67 113.02 2dk5 s ASP 19 Ca 0.62 1.02 0.04 0.00 -0.52 0.00 0.00 52.55 53.71 2dk5 s ASP 19 Cb -0.51 0.99 -0.06 0.00 -1.46 0.00 0.00 42.92 41.88 2dk5 s ASP 19 CO 0.52 -0.27 0.03 0.59 0.52 0.00 0.00 175.17 176.57 2dk5 n ASN 20 N 2.06 3.80 0.36 -0.34 3.02 -1.26 -4.60 115.26 118.31 2dk5 n ASN 20 Ca -0.14 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.26 2dk5 n ASN 20 Cb 0.56 0.71 -0.07 0.00 -0.61 0.00 0.00 39.78 40.37 2dk5 n ASN 20 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2dk5 h GLN 21 N 0.00 -0.92 0.00 3.52 4.20 -1.99 -0.23 115.11 119.68 2dk5 h GLN 21 Ca -0.11 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2dk5 h GLN 21 Cb 1.15 0.21 0.00 0.00 0.30 0.00 0.00 27.48 29.14 2dk5 h GLN 21 CO 0.01 -0.61 0.30 1.49 -0.67 0.00 0.00 178.83 179.34 2dk5 h GLU 22 N -1.24 0.00 0.00 1.46 4.81 -1.97 -1.70 114.58 115.94 2dk5 h GLU 22 Ca -0.10 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 2dk5 h GLU 22 Cb 0.74 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 2dk5 h GLU 22 CO 0.16 0.00 -0.56 0.87 -0.73 0.00 0.00 179.01 178.75 2dk5 h LYS 23 N 0.00 0.00 -0.76 1.92 1.57 -1.74 -3.10 116.57 114.46 2dk5 h LYS 23 Ca 0.00 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 59.00 2dk5 h LYS 23 Cb 0.59 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 2dk5 h LYS 23 CO 0.00 0.17 0.64 1.25 -0.57 0.00 0.00 179.45 180.93 2dk5 h LEU 24 N -1.00 0.00 0.09 2.94 5.85 -0.29 0.35 115.31 123.25 2dk5 h LEU 24 Ca -0.05 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.54 2dk5 h LEU 24 Cb 0.59 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.63 2dk5 h LEU 24 CO -0.03 0.00 -0.55 0.58 -0.34 0.00 0.00 178.44 178.10 2dk5 h VAL 25 N 0.00 1.58 -0.94 1.05 2.07 -1.50 -3.07 116.25 115.45 2dk5 h VAL 25 Ca 0.36 -2.42 0.06 0.00 0.82 0.00 0.00 66.70 65.52 2dk5 h VAL 25 Cb 1.63 3.18 -0.06 0.00 -1.52 0.00 0.00 31.29 34.52 2dk5 h VAL 25 CO -0.00 0.67 0.61 0.22 0.02 0.00 0.00 177.57 179.09 2dk5 h TYR 26 N -0.53 1.11 -0.29 1.57 3.20 -0.90 -1.26 116.97 119.88 2dk5 h TYR 26 Ca -0.09 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.71 2dk5 h TYR 26 Cb 1.41 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 2dk5 h TYR 26 CO 0.21 0.60 -0.24 1.96 -1.64 0.00 0.00 178.16 179.05 2dk5 h GLN 27 N 1.11 0.55 -0.32 1.82 1.08 -1.33 -2.56 115.11 115.45 2dk5 h GLN 27 Ca 0.39 -0.21 -0.12 0.00 -1.45 0.00 0.00 58.65 57.27 2dk5 h GLN 27 Cb 0.13 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2dk5 h GLN 27 CO -0.14 0.75 -0.28 0.82 -0.95 0.00 0.00 178.83 179.03 2dk5 h ILE 28 N 0.49 1.28 0.40 2.54 2.04 -1.16 -2.59 117.51 120.50 2dk5 h ILE 28 Ca 0.07 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 2dk5 h ILE 28 Cb 0.68 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2dk5 h ILE 28 CO 0.05 0.45 -0.19 0.40 0.00 0.00 0.00 178.15 178.86 2dk5 h ILE 29 N 0.57 0.55 -0.16 -0.67 2.04 -1.11 -2.84 117.51 115.89 2dk5 h ILE 29 Ca 0.07 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.51 2dk5 h ILE 29 Cb 0.77 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2dk5 h ILE 29 CO 0.06 0.08 0.21 1.05 0.00 0.00 0.00 178.15 179.55 2dk5 h GLU 30 N -0.83 0.00 -0.35 2.37 4.11 -1.50 -0.94 114.58 117.44 2dk5 h GLU 30 Ca -0.05 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.29 2dk5 h GLU 30 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2dk5 h GLU 30 CO 0.09 0.00 -0.10 0.22 0.07 0.00 0.00 179.01 179.29 2dk5 h ASP 31 N 0.00 0.70 -0.47 3.06 3.58 -1.23 -2.79 116.42 119.27 2dk5 h ASP 31 Ca 0.07 -0.37 0.14 0.00 0.42 0.00 0.00 57.03 57.29 2dk5 h ASP 31 Cb 0.49 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 2dk5 h ASP 31 CO -0.00 0.92 0.41 0.00 -2.88 0.00 0.00 179.24 177.69 2dk5 h ALA 32 N 0.81 2.28 0.00 -0.78 0.00 -1.02 -3.48 119.26 117.08 2dk5 h ALA 32 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2dk5 h ALA 32 Cb 0.62 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2dk5 h ALA 32 CO 0.04 -0.66 0.00 0.41 0.00 0.00 0.00 179.25 179.04 2dk5 n GLY 33 N -1.55 -0.73 0.18 0.00 0.00 -1.06 -4.08 105.19 97.95 2dk5 n GLY 33 Ca 0.09 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 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 3.71 0.54 -1.06 1.61 2.35 -1.92 -2.88 115.58 117.93 2dk5 h ASN 34 Ca 0.00 -0.27 0.31 0.00 -0.55 0.00 0.00 56.30 55.79 2dk5 h ASN 34 Cb 0.00 -0.14 -0.13 0.00 0.05 0.00 0.00 38.32 38.10 2dk5 h ASN 34 CO 0.00 0.67 0.64 0.11 -1.65 0.00 0.00 177.43 177.21 2dk5 h LYS 35 N 0.38 0.35 0.00 0.81 1.57 -1.96 -3.48 116.57 114.24 2dk5 h LYS 35 Ca 0.10 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2dk5 h LYS 35 Cb 0.37 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2dk5 h LYS 35 CO 0.01 0.23 0.00 0.41 -0.57 0.00 0.00 179.45 179.53 2dk5 n GLY 36 N -1.38 -1.78 3.20 3.86 0.00 -1.09 -4.95 105.19 103.06 2dk5 n GLY 36 Ca 0.30 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 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 0.13 -0.15 -0.61 2.07 -0.73 -4.65 121.20 117.26 2dk5 s ILE 37 Ca 0.00 -1.07 -0.13 0.00 -1.41 0.00 0.00 60.65 58.04 2dk5 s ILE 37 Cb 0.00 -1.18 -0.05 0.00 0.13 0.00 0.00 42.46 41.37 2dk5 s ILE 37 CO 0.00 -0.59 0.27 0.86 -1.91 0.00 0.00 174.94 173.57 2dk5 s TRP 38 N -3.37 3.49 0.21 3.50 -0.00 -1.26 -0.36 118.94 121.14 2dk5 s TRP 38 Ca 0.01 0.59 -0.07 0.00 -0.00 0.00 0.00 56.10 56.63 2dk5 s TRP 38 Cb 0.03 -2.28 0.34 0.00 -0.00 0.00 0.00 33.47 31.56 2dk5 s TRP 38 CO -0.08 0.32 1.19 0.45 -0.00 0.00 0.00 176.95 178.83 2dk5 n SER 39 N 3.28 -0.29 -0.06 5.86 2.88 -1.16 0.13 113.62 124.26 2dk5 n SER 39 Ca -0.13 1.32 -0.07 0.00 -1.33 0.00 0.00 58.87 58.65 2dk5 n SER 39 Cb 0.52 -0.39 -0.01 0.00 -0.75 0.00 0.00 64.21 63.58 2dk5 n SER 39 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2dk5 h ARG 40 N 0.00 -0.05 -0.42 -1.46 2.43 -1.93 -2.29 114.38 110.66 2dk5 h ARG 40 Ca 0.36 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.62 2dk5 h ARG 40 Cb 0.55 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.02 2dk5 h ARG 40 CO -0.79 -0.03 -0.20 -0.44 -1.51 0.00 0.00 179.97 177.00 2dk5 h ASP 41 N -0.05 -0.69 -0.87 -3.80 3.32 0.67 0.97 116.42 115.97 2dk5 h ASP 41 Ca 0.13 0.16 0.17 0.00 0.02 0.00 0.00 57.03 57.52 2dk5 h ASP 41 Cb 0.25 0.37 -0.07 0.00 0.22 0.00 0.00 39.33 40.11 2dk5 h ASP 41 CO -0.30 -0.23 0.57 0.58 -1.72 0.00 0.00 179.24 178.14 2dk5 h VAL 42 N -0.12 0.75 -0.09 -1.35 2.07 -0.90 -2.18 116.25 114.43 2dk5 h VAL 42 Ca 0.20 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.56 2dk5 h VAL 42 Cb 0.43 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2dk5 h VAL 42 CO -0.50 0.09 -0.16 -0.09 0.02 0.00 0.00 177.57 176.93 2dk5 h ARG 43 N 0.50 -0.13 0.34 1.57 2.43 -0.39 0.38 114.38 119.08 2dk5 h ARG 43 Ca 0.45 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.61 2dk5 h ARG 43 Cb 0.97 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2dk5 h ARG 43 CO -0.18 -0.09 -0.17 1.88 -1.51 0.00 0.00 179.97 179.91 2dk5 h TYR 44 N -0.14 -0.43 -0.95 2.20 -1.99 -1.52 0.81 116.97 114.96 2dk5 h TYR 44 Ca 0.02 -0.01 0.29 0.00 2.00 0.00 0.00 58.73 61.03 2dk5 h TYR 44 Cb 0.18 0.14 -0.15 0.00 2.00 0.00 0.00 36.73 38.90 2dk5 h TYR 44 CO -0.58 -0.24 0.36 0.87 -0.00 0.00 0.00 178.16 178.57 2dk5 h LYS 45 N -0.50 0.20 -0.00 4.88 1.79 -1.20 1.12 116.57 122.86 2dk5 h LYS 45 Ca -0.05 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2dk5 h LYS 45 Cb 0.38 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2dk5 h LYS 45 CO 0.08 0.13 -0.55 -1.13 -1.08 0.00 0.00 179.45 176.90 2dk5 n SER 46 N -5.20 1.00 -2.14 0.86 3.41 0.13 -4.94 113.62 106.75 2dk5 n SER 46 Ca 0.27 -0.80 -0.18 0.00 -0.26 0.00 0.00 58.87 57.90 2dk5 n SER 46 Cb 0.86 0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 65.21 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 -1.03 -5.02 -4.70 4.04 3.02 0.39 -4.96 115.26 106.99 2dk5 n ASN 47 Ca 0.08 0.18 -0.26 0.00 -0.03 0.00 0.00 54.58 54.54 2dk5 n ASN 47 Cb 0.36 -4.29 -0.07 0.00 -0.61 0.00 0.00 39.78 35.17 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 -5.41 3.45 0.64 3.41 1.43 -0.51 -4.98 118.68 116.71 2dk5 s LEU 48 Ca 0.00 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.61 2dk5 s LEU 48 Cb 0.00 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 2dk5 s LEU 48 CO 0.00 0.07 1.11 -2.16 0.23 0.00 0.00 176.35 175.61 2dk5 s PRO 49 N -3.07 2.87 0.26 1.29 0.04 -1.26 -4.60 135.00 130.53 2dk5 s PRO 49 Ca 0.29 1.42 -0.03 0.00 0.04 0.00 0.00 61.00 62.71 2dk5 s PRO 49 Cb -0.09 -1.96 0.53 0.00 0.04 0.00 0.00 34.50 33.02 2dk5 s PRO 49 CO 0.20 -1.20 1.67 1.25 0.04 0.00 0.00 177.00 178.96 2dk5 h LEU 50 N 0.17 -0.02 -2.07 -3.56 7.12 -1.98 0.68 115.31 115.65 2dk5 h LEU 50 Ca -0.47 0.16 0.10 0.00 0.13 0.00 0.00 57.88 57.80 2dk5 h LEU 50 Cb 1.25 0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 41.59 2dk5 h LEU 50 CO 0.54 -0.08 0.34 0.00 -0.13 0.00 0.00 178.44 179.12 2dk5 h THR 51 N 0.24 0.48 0.03 1.05 1.03 -2.00 0.11 112.91 113.85 2dk5 h THR 51 Ca 0.45 0.00 -0.15 0.00 -0.01 0.00 0.00 66.41 66.71 2dk5 h THR 51 Cb 0.82 0.73 -0.01 0.00 -1.07 0.00 0.00 68.15 68.62 2dk5 h THR 51 CO -0.56 0.00 -0.77 -0.33 -0.01 0.00 0.00 175.52 173.85 2dk5 h GLU 52 N 0.00 0.06 0.00 0.00 4.39 -0.01 -3.19 114.58 115.83 2dk5 h GLU 52 Ca 0.16 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2dk5 h GLU 52 Cb 0.84 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2dk5 h GLU 52 CO -0.00 1.05 -0.05 0.82 -1.16 0.00 0.00 179.01 179.67 2dk5 h ILE 53 N -0.85 0.96 0.27 3.13 5.03 -0.51 0.21 117.51 125.75 2dk5 h ILE 53 Ca -0.19 -0.17 -0.01 0.00 -0.12 0.00 0.00 64.86 64.37 2dk5 h ILE 53 Cb 1.28 1.09 0.00 0.00 -3.03 0.00 0.00 36.82 36.17 2dk5 h ILE 53 CO -0.06 0.05 -0.13 0.78 -0.68 0.00 0.00 178.15 178.11 2dk5 h ASN 54 N 0.00 -0.30 -0.07 1.72 4.21 -0.94 0.17 115.58 120.37 2dk5 h ASN 54 Ca -0.00 -0.23 -0.08 0.00 1.21 0.00 0.00 56.30 57.20 2dk5 h ASN 54 Cb 0.09 0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.35 2dk5 h ASN 54 CO 0.01 0.16 -0.19 0.07 -1.29 0.00 0.00 177.43 176.18 2dk5 h LYS 55 N -0.86 0.45 0.08 0.81 2.10 -1.49 -2.61 116.57 115.04 2dk5 h LYS 55 Ca -0.04 -0.15 -0.00 0.00 -2.00 0.00 0.00 60.65 58.46 2dk5 h LYS 55 Cb 0.51 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 2dk5 h LYS 55 CO 0.06 0.63 -0.04 0.82 -2.00 0.00 0.00 179.45 178.92 2dk5 h ILE 56 N 0.41 1.18 -0.99 0.07 2.04 -0.64 -2.33 117.51 117.25 2dk5 h ILE 56 Ca 0.07 -1.26 0.19 0.00 1.00 0.00 0.00 64.86 64.86 2dk5 h ILE 56 Cb 0.57 1.95 -0.10 0.00 -0.74 0.00 0.00 36.82 38.50 2dk5 h ILE 56 CO 0.04 0.29 0.61 -0.07 0.00 0.00 0.00 178.15 179.03 2dk5 h LEU 57 N -0.72 0.71 0.44 1.44 3.38 -0.63 -2.44 115.31 117.49 2dk5 h LEU 57 Ca -0.01 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 2dk5 h LEU 57 Cb 0.57 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2dk5 h LEU 57 CO 0.02 0.26 -0.21 0.50 0.09 0.00 0.00 178.44 179.10 2dk5 h LYS 58 N 0.70 -0.57 -0.78 1.13 3.64 -1.49 -2.92 116.57 116.28 2dk5 h LYS 58 Ca 0.56 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 60.12 2dk5 h LYS 58 Cb 0.95 0.13 -0.14 0.00 -0.41 0.00 0.00 32.23 32.76 2dk5 h LYS 58 CO -0.33 -0.38 -0.21 0.09 -2.27 0.00 0.00 179.45 176.35 2dk5 n ASN 59 N -4.52 -0.31 -0.33 4.20 3.02 -0.88 0.23 115.26 116.67 2dk5 n ASN 59 Ca -0.07 1.34 -0.02 0.00 -0.03 0.00 0.00 54.58 55.80 2dk5 n ASN 59 Cb 0.23 -0.39 0.11 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 0.98 -2.22 3.41 3.38 -1.50 0.21 115.31 119.57 2dk5 h LEU 60 Ca 0.36 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 2dk5 h LEU 60 Cb 0.55 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2dk5 h LEU 60 CO -0.80 0.69 -0.01 -0.33 0.09 0.00 0.00 178.44 178.08 2dk5 h GLU 61 N 1.15 0.00 0.00 1.13 5.08 0.32 -0.95 114.58 121.31 2dk5 h GLU 61 Ca 0.35 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.52 2dk5 h GLU 61 Cb -0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2dk5 h GLU 61 CO -0.10 0.01 -1.90 0.45 -1.00 0.00 0.00 179.01 176.47 2dk5 n SER 62 N -3.13 0.34 -1.00 1.42 2.88 -0.19 -4.09 113.62 109.84 2dk5 n SER 62 Ca -0.01 0.15 0.03 0.00 -1.33 0.00 0.00 58.87 57.70 2dk5 n SER 62 Cb 0.19 0.94 0.16 0.00 -0.75 0.00 0.00 64.21 64.75 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 2.45 -3.20 -1.46 5.02 0.58 -4.86 118.16 114.02 2dk5 n LYS 63 Ca -0.16 -1.21 -0.22 0.00 -2.02 0.00 0.00 58.31 54.70 2dk5 n LYS 63 Cb 0.87 -1.75 0.01 0.00 -0.02 0.00 0.00 35.03 34.14 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 0.25 -3.82 -0.11 1.97 5.02 -1.14 -4.67 118.16 115.67 2dk5 n LYS 64 Ca 0.11 0.62 -0.14 0.00 -2.02 0.00 0.00 58.31 56.88 2dk5 n LYS 64 Cb 0.59 -5.37 -0.12 0.00 -0.02 0.00 0.00 35.03 30.11 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 -3.78 2.02 0.00 -0.35 4.77 -0.42 -4.66 117.00 114.59 2dk5 n LEU 65 Ca -0.05 -0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 55.74 2dk5 n LEU 65 Cb 0.57 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 2dk5 n LEU 65 CO 0.48 0.74 -0.05 2.30 -1.33 0.00 0.00 177.39 179.53 2dk5 n ILE 66 N -3.01 0.00 -3.44 -0.08 -5.35 -1.06 -0.95 119.36 105.47 2dk5 n ILE 66 Ca -0.37 -1.29 -0.12 0.00 -0.27 0.00 0.00 62.75 60.70 2dk5 n ILE 66 Cb 0.98 0.64 -0.03 0.00 -1.74 0.00 0.00 39.64 39.50 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 -2.71 1.21 -0.19 6.28 -2.85 0.29 -4.16 119.74 117.60 2dk5 s LYS 67 Ca 0.21 -0.36 -0.17 0.00 -1.00 0.00 0.00 55.97 54.66 2dk5 s LYS 67 Cb 0.01 0.56 -0.04 0.00 -2.06 0.00 0.00 37.83 36.30 2dk5 s LYS 67 CO 0.15 -0.51 0.45 0.00 0.10 0.00 0.00 175.35 175.54 2dk5 s ALA 68 N -3.34 3.54 -0.38 0.59 0.00 -1.26 -1.02 121.76 119.90 2dk5 s ALA 68 Ca -0.00 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 51.53 2dk5 s ALA 68 Cb -0.01 -2.70 0.11 0.00 0.00 0.00 0.00 23.12 20.52 2dk5 s ALA 68 CO -0.10 -0.32 0.13 0.08 0.00 0.00 0.00 175.76 175.56 2dk5 s VAL 69 N 1.36 1.68 -0.77 0.00 1.01 -0.60 -5.00 120.40 118.08 2dk5 s VAL 69 Ca 0.21 -2.22 -0.24 0.00 0.00 0.00 0.00 61.98 59.73 2dk5 s VAL 69 Cb -0.15 -2.22 0.06 0.00 0.00 0.00 0.00 36.38 34.06 2dk5 s VAL 69 CO 0.09 -0.72 1.19 -0.75 0.00 0.00 0.00 175.10 174.91 2dk5 s LYS 70 N 0.85 3.26 0.67 2.72 2.20 -1.26 -4.11 119.74 124.07 2dk5 s LYS 70 Ca 0.13 -0.71 -0.11 0.00 -0.36 0.00 0.00 55.97 54.91 2dk5 s LYS 70 Cb -0.21 -4.44 -0.01 0.00 -1.51 0.00 0.00 37.83 31.66 2dk5 s LYS 70 CO -0.11 -2.01 1.06 0.45 -0.36 0.00 0.00 175.35 174.38 2dk5 s SER 71 N 3.90 5.79 0.00 1.43 0.15 -1.26 -4.93 113.70 118.77 2dk5 s SER 71 Ca 0.32 1.31 -0.40 0.00 0.70 0.00 0.00 55.95 57.88 2dk5 s SER 71 Cb -0.09 -2.23 -0.20 0.00 -1.71 0.00 0.00 66.02 61.78 2dk5 s SER 71 CO 0.07 -1.14 1.10 0.55 1.20 0.00 0.00 173.24 175.02 2dk5 n VAL 72 N -2.91 0.00 -3.59 4.45 3.14 -1.26 -4.93 118.33 113.24 2dk5 n VAL 72 Ca 0.07 -0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.40 2dk5 n VAL 72 Cb 0.55 -0.09 -0.02 0.00 -1.06 0.00 0.00 33.84 33.22 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 0.09 -2.05 -0.24 1.55 0.00 -1.26 -5.07 121.76 114.78 2dk5 s ALA 73 Ca 0.91 1.55 -0.04 0.00 0.00 0.00 0.00 51.96 54.37 2dk5 s ALA 73 Cb -1.24 -0.09 -0.18 0.00 0.00 0.00 0.00 23.12 21.61 2dk5 s ALA 73 CO 0.56 -0.60 -0.13 0.00 0.00 0.00 0.00 175.76 175.60 2dk5 n ALA 74 N -0.09 1.25 -1.68 0.00 0.00 -1.26 -4.99 120.51 113.75 2dk5 n ALA 74 Ca -0.01 -0.98 -0.29 0.00 0.00 0.00 0.00 53.44 52.16 2dk5 n ALA 74 Cb 0.59 -0.17 0.12 0.00 0.00 0.00 0.00 19.45 19.98 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 -6.85 3.89 -0.41 0.00 0.01 -1.26 -5.01 113.70 104.08 2dk5 s SER 75 Ca -0.33 0.89 -0.21 0.00 1.31 0.00 0.00 55.95 57.60 2dk5 s SER 75 Cb 0.10 -1.43 0.02 0.00 0.21 0.00 0.00 66.02 64.91 2dk5 s SER 75 CO 0.60 -2.31 0.69 -0.54 0.41 0.00 0.00 173.24 172.10 2dk5 s LYS 76 N -5.40 3.49 0.26 12.44 3.01 -1.26 -5.02 119.74 127.25 2dk5 s LYS 76 Ca 0.63 -0.09 0.02 0.00 -1.01 0.00 0.00 55.97 55.52 2dk5 s LYS 76 Cb -0.13 -3.89 -0.04 0.00 -1.01 0.00 0.00 37.83 32.76 2dk5 s LYS 76 CO 0.52 -0.93 0.18 0.15 0.51 0.00 0.00 175.35 175.77 2dk5 s LYS 77 N 2.94 1.43 -0.23 1.68 1.02 -1.26 -5.16 119.74 120.17 2dk5 s LYS 77 Ca 0.26 -1.79 -0.03 0.00 0.02 0.00 0.00 55.97 54.42 2dk5 s LYS 77 Cb -0.14 0.22 0.12 0.00 -0.52 0.00 0.00 37.83 37.51 2dk5 s LYS 77 CO 0.18 -0.48 0.32 0.21 -0.92 0.00 0.00 175.35 174.67 2dk5 s LYS 78 N -3.89 0.29 0.15 1.68 2.47 -1.26 -4.96 119.74 114.23 2dk5 s LYS 78 Ca 0.39 0.44 -0.05 0.00 -1.56 0.00 0.00 55.97 55.19 2dk5 s LYS 78 Cb 0.05 -0.69 -0.06 0.00 -1.46 0.00 0.00 37.83 35.67 2dk5 s LYS 78 CO 0.18 -0.63 0.39 0.08 0.16 0.00 0.00 175.35 175.53 2dk5 s VAL 79 N 2.47 5.15 -0.04 4.02 1.01 -1.26 -2.97 120.40 128.79 2dk5 s VAL 79 Ca 0.10 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.16 2dk5 s VAL 79 Cb -0.15 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.61 2dk5 s VAL 79 CO -0.14 0.03 -0.08 -0.31 0.00 0.00 0.00 175.10 174.60 2dk5 s TYR 80 N -1.67 0.94 0.11 5.22 2.02 0.51 -1.56 117.35 122.92 2dk5 s TYR 80 Ca 0.41 -0.27 -0.07 0.00 -0.37 0.00 0.00 57.07 56.78 2dk5 s TYR 80 Cb -0.12 -0.72 -0.01 0.00 -0.40 0.00 0.00 41.96 40.70 2dk5 s TYR 80 CO 0.24 -0.16 0.18 0.00 -1.57 0.00 0.00 175.55 174.24 2dk5 s MET 81 N 0.53 0.92 0.35 -0.62 0.23 -0.18 -1.78 119.30 118.75 2dk5 s MET 81 Ca -0.08 -1.11 -0.25 0.00 -1.03 0.00 0.00 55.69 53.22 2dk5 s MET 81 Cb -0.12 0.33 -0.14 0.00 -1.53 0.00 0.00 34.83 33.37 2dk5 s MET 81 CO 0.01 -0.30 0.60 1.28 -2.03 0.00 0.00 175.02 174.59 2dk5 n LEU 82 N -0.09 -0.11 0.08 0.18 4.77 -1.26 0.10 117.00 120.68 2dk5 n LEU 82 Ca -0.11 1.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.77 2dk5 n LEU 82 Cb 0.63 -1.10 -0.06 0.00 -2.33 0.00 0.00 43.42 40.55 2dk5 n LEU 82 CO 0.25 -2.70 0.16 0.22 -1.33 0.00 0.00 177.39 173.98 2dk5 h TYR 83 N 1.05 0.28 -0.42 -1.77 3.20 -1.20 -3.27 116.97 114.83 2dk5 h TYR 83 Ca -0.37 -0.17 -0.12 0.00 3.14 0.00 0.00 58.73 61.20 2dk5 h TYR 83 Cb 1.40 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.63 2dk5 h TYR 83 CO 0.39 1.05 -0.22 -0.97 -1.64 0.00 0.00 178.16 176.77 2dk5 h ASN 84 N 0.08 0.87 -4.01 -2.11 -1.24 -1.83 -3.45 115.58 103.90 2dk5 h ASN 84 Ca -0.06 -0.32 -0.50 0.00 0.71 0.00 0.00 56.30 56.13 2dk5 h ASN 84 Cb 1.67 -0.24 0.19 0.00 0.73 0.00 0.00 38.32 40.67 2dk5 h ASN 84 CO 0.15 1.06 0.18 -0.76 -1.29 0.00 0.00 177.43 176.78 2dk5 s LEU 85 N -8.96 2.30 0.25 0.34 1.02 -1.23 -5.01 118.68 107.39 2dk5 s LEU 85 Ca -0.10 1.92 -0.09 0.00 0.02 0.00 0.00 54.13 55.88 2dk5 s LEU 85 Cb 0.13 -4.22 -0.07 0.00 0.02 0.00 0.00 46.19 42.05 2dk5 s LEU 85 CO 0.85 -3.23 0.56 -0.44 0.02 0.00 0.00 176.35 174.10 2dk5 s SER 86 N -2.78 6.59 0.00 2.29 0.01 -1.26 -4.97 113.70 113.58 2dk5 s SER 86 Ca 0.66 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.81 2dk5 s SER 86 Cb -0.22 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2dk5 s SER 86 CO 0.59 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.74 2dk5 n GLY 87 N -0.33 0.53 3.56 3.44 0.00 -1.17 -4.94 105.19 106.27 2dk5 n GLY 87 Ca 0.00 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 43.95 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 1.34 2.57 -1.44 1.61 0.04 -1.26 -3.40 135.00 134.46 2dk5 s PRO 88 Ca 0.00 -0.08 -0.08 0.00 0.04 0.00 0.00 61.00 60.88 2dk5 s PRO 88 Cb 0.00 -4.91 0.01 0.00 0.04 0.00 0.00 34.50 29.64 2dk5 s PRO 88 CO 0.00 -3.23 0.97 0.45 0.04 0.00 0.00 177.00 175.23 2dk5 n SER 89 N 13.69 -6.28 -4.05 6.66 2.88 -1.26 -5.00 113.62 120.26 2dk5 n SER 89 Ca 0.36 -0.45 -0.14 0.00 -1.33 0.00 0.00 58.87 57.30 2dk5 n SER 89 Cb 0.48 -4.99 -0.12 0.00 -0.75 0.00 0.00 64.21 58.83 2dk5 n SER 89 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dk5 s SER 90 N -3.09 0.90 0.00 -3.46 0.15 -1.22 -5.25 113.70 101.74 2dk5 s SER 90 Ca 0.49 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2dk5 s SER 90 Cb -0.22 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 2dk5 s SER 90 CO 0.60 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.52