#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk8 s SER 2 N 0.00 -1.46 0.43 1.61 0.15 -1.26 -5.15 113.70 108.01 2dk8 s SER 2 Ca 0.00 0.59 -0.23 0.00 0.70 0.00 0.00 55.95 57.01 2dk8 s SER 2 Cb 0.00 2.10 -0.08 0.00 -1.71 0.00 0.00 66.02 66.32 2dk8 s SER 2 CO 0.00 -0.27 1.07 -0.94 1.20 0.00 0.00 173.24 174.30 2dk8 s SER 3 N 2.85 6.55 0.03 5.45 1.04 -1.26 -4.98 113.70 123.38 2dk8 s SER 3 Ca 0.16 2.08 -0.30 0.00 0.48 0.00 0.00 55.95 58.36 2dk8 s SER 3 Cb -0.13 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.35 2dk8 s SER 3 CO -0.23 -0.64 1.27 -0.83 0.98 0.00 0.00 173.24 173.79 2dk8 s GLY 4 N -1.60 2.17 0.22 7.32 0.00 -1.26 -5.01 107.32 109.16 2dk8 s GLY 4 Ca 0.61 0.85 -0.04 0.00 0.00 0.00 0.00 44.72 46.14 2dk8 s GLY 4 CO 0.28 2.22 0.24 -0.45 0.00 0.00 0.00 173.10 175.38 2dk8 s SER 5 N 1.32 0.10 -0.33 1.64 0.15 -1.26 -5.13 113.70 110.19 2dk8 s SER 5 Ca 0.60 -1.26 -0.20 0.00 0.70 0.00 0.00 55.95 55.79 2dk8 s SER 5 Cb -0.30 0.45 -0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2dk8 s SER 5 CO 0.27 -0.94 0.61 -0.55 1.20 0.00 0.00 173.24 173.84 2dk8 s SER 6 N -3.12 6.44 0.00 5.45 0.15 -1.26 -4.75 113.70 116.60 2dk8 s SER 6 Ca 0.34 0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.24 2dk8 s SER 6 Cb 0.05 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 2dk8 s SER 6 CO 0.11 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.64 2dk8 n GLY 7 N 4.58 -1.62 2.47 9.45 0.00 -1.26 -4.99 105.19 113.83 2dk8 n GLY 7 Ca -0.02 0.59 -0.29 0.00 0.00 0.00 0.00 46.02 46.31 2dk8 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dk8 n PRO 8 N -0.41 2.74 -3.39 1.61 -0.04 -1.26 -4.67 135.00 129.58 2dk8 n PRO 8 Ca 0.00 -1.74 -0.11 0.00 -0.04 0.00 0.00 63.50 61.61 2dk8 n PRO 8 Cb 0.00 -2.57 -0.09 0.00 -0.04 0.00 0.00 33.50 30.79 2dk8 n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dk8 s ASP 9 N 2.85 0.50 -0.67 3.54 1.01 -1.26 -5.09 116.67 117.55 2dk8 s ASP 9 Ca 0.52 0.14 -0.37 0.00 0.71 0.00 0.00 52.55 53.55 2dk8 s ASP 9 Cb 0.14 0.95 -0.18 0.00 1.01 0.00 0.00 42.92 44.83 2dk8 s ASP 9 CO -0.04 -0.30 2.38 0.00 0.21 0.00 0.00 175.17 177.41 2dk8 n ALA 10 N 5.35 0.39 -1.10 5.23 0.00 -1.26 -4.78 120.51 124.35 2dk8 n ALA 10 Ca -0.04 -0.09 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 2dk8 n ALA 10 Cb 0.50 -2.28 0.03 0.00 0.00 0.00 0.00 19.45 17.70 2dk8 n ALA 10 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2dk8 n ASP 11 N 9.45 -5.02 0.08 0.00 2.03 -1.26 -4.80 116.55 117.04 2dk8 n ASP 11 Ca 0.56 0.37 -0.04 0.00 0.52 0.00 0.00 54.79 56.20 2dk8 n ASP 11 Cb 0.06 -0.81 -0.02 0.00 -0.72 0.00 0.00 41.12 39.63 2dk8 n ASP 11 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2dk8 h PRO 12 N -0.62 -0.27 -0.99 -0.67 0.13 -1.99 -2.99 132.00 124.60 2dk8 h PRO 12 Ca -0.43 0.02 0.16 0.00 -0.87 0.00 0.00 66.00 64.88 2dk8 h PRO 12 Cb 1.36 0.06 -0.16 0.00 0.13 0.00 0.00 31.00 32.38 2dk8 h PRO 12 CO 0.31 -0.18 -0.37 -0.24 -0.23 0.00 0.00 178.00 177.28 2dk8 h VAL 13 N -0.89 0.00 -0.24 1.56 3.04 -1.99 0.42 116.25 118.16 2dk8 h VAL 13 Ca -0.03 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.71 2dk8 h VAL 13 Cb 0.21 0.00 -0.08 0.00 -2.01 0.00 0.00 31.29 29.42 2dk8 h VAL 13 CO 0.05 0.00 -0.42 -0.33 -1.01 0.00 0.00 177.57 175.86 2dk8 h GLU 14 N -0.00 -0.41 -0.62 4.17 4.39 -1.94 0.74 114.58 120.92 2dk8 h GLU 14 Ca 0.36 0.03 0.13 0.00 0.34 0.00 0.00 59.36 60.22 2dk8 h GLU 14 Cb 0.61 0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 29.25 2dk8 h GLU 14 CO -0.99 -0.27 -0.01 0.82 -1.16 0.00 0.00 179.01 177.40 2dk8 h ILE 15 N -0.42 0.48 0.81 3.13 2.04 -0.12 -0.32 117.51 123.11 2dk8 h ILE 15 Ca 0.10 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 2dk8 h ILE 15 Cb 0.60 0.36 0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2dk8 h ILE 15 CO -0.46 0.02 -0.40 -0.33 0.00 0.00 0.00 178.15 176.98 2dk8 h GLU 16 N 0.10 -1.06 -1.05 2.37 5.08 0.98 -2.19 114.58 118.81 2dk8 h GLU 16 Ca 0.32 0.07 0.39 0.00 -1.00 0.00 0.00 59.36 59.15 2dk8 h GLU 16 Cb 0.52 0.24 -0.16 0.00 0.50 0.00 0.00 28.75 29.85 2dk8 h GLU 16 CO -0.54 -0.71 0.60 -0.91 -1.00 0.00 0.00 179.01 176.45 2dk8 h ASN 17 N -1.10 0.37 0.54 1.42 2.35 0.13 0.63 115.58 119.93 2dk8 h ASN 17 Ca -0.11 0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 2dk8 h ASN 17 Cb 0.85 0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.43 2dk8 h ASN 17 CO 0.18 -0.31 -0.28 0.03 -1.65 0.00 0.00 177.43 175.40 2dk8 h ARG 18 N 0.11 -0.72 -0.99 0.81 2.47 -0.48 -1.78 114.38 113.80 2dk8 h ARG 18 Ca 0.81 0.05 0.23 0.00 -1.26 0.00 0.00 59.98 59.81 2dk8 h ARG 18 Cb 2.12 0.16 -0.12 0.00 -1.65 0.00 0.00 29.97 30.48 2dk8 h ARG 18 CO -0.67 -0.48 0.57 0.82 0.56 0.00 0.00 179.97 180.77 2dk8 h ILE 19 N -0.75 0.57 0.55 2.04 2.04 0.63 -0.52 117.51 122.07 2dk8 h ILE 19 Ca -0.07 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 2dk8 h ILE 19 Cb 0.58 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2dk8 h ILE 19 CO 0.11 0.11 -0.41 0.40 0.00 0.00 0.00 178.15 178.36 2dk8 h ILE 20 N 0.59 0.00 -1.14 -0.67 1.08 -0.65 1.10 117.51 117.82 2dk8 h ILE 20 Ca 0.62 0.00 0.32 0.00 -0.39 0.00 0.00 64.86 65.41 2dk8 h ILE 20 Cb 1.13 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.79 2dk8 h ILE 20 CO -0.46 0.00 0.77 -0.33 -0.69 0.00 0.00 178.15 177.43 2dk8 h GLU 21 N -0.93 0.21 0.16 2.37 5.08 -0.32 0.11 114.58 121.26 2dk8 h GLU 21 Ca -0.07 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2dk8 h GLU 21 Cb 0.77 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2dk8 h GLU 21 CO 0.03 0.14 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.03 2dk8 h LEU 22 N 0.22 -0.18 -1.81 1.33 3.38 -0.15 -1.96 115.31 116.15 2dk8 h LEU 22 Ca 0.63 -0.31 0.40 0.00 0.09 0.00 0.00 57.88 58.69 2dk8 h LEU 22 Cb 1.94 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 42.66 2dk8 h LEU 22 CO -0.22 0.39 0.96 0.00 0.09 0.00 0.00 178.44 179.66 2dk8 h HIS 24 N 0.07 0.61 0.00 0.00 3.86 -0.83 -3.11 115.15 115.76 2dk8 h HIS 24 Ca 0.70 -0.30 -0.01 0.00 -1.16 0.00 0.00 60.37 59.60 2dk8 h HIS 24 Cb 2.57 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 30.96 2dk8 h HIS 24 CO -0.00 1.10 -0.06 1.96 0.86 0.00 0.00 177.93 181.79 2dk8 h GLN 25 N -0.05 0.00 -4.82 2.45 1.08 0.28 -3.37 115.11 110.69 2dk8 h GLN 25 Ca -0.05 0.00 -0.67 0.00 -1.45 0.00 0.00 58.65 56.48 2dk8 h GLN 25 Cb 1.21 0.00 -0.38 0.00 -0.05 0.00 0.00 27.48 28.26 2dk8 h GLN 25 CO 0.11 0.06 -0.78 -0.06 -0.95 0.00 0.00 178.83 177.20 2dk8 s PHE 26 N -4.65 3.37 -0.14 2.96 0.40 0.89 -4.96 117.98 115.86 2dk8 s PHE 26 Ca -0.04 -2.48 0.27 0.00 -0.60 0.00 0.00 56.93 54.08 2dk8 s PHE 26 Cb 0.15 -2.16 0.81 0.00 0.51 0.00 0.00 43.02 42.34 2dk8 s PHE 26 CO 0.61 -0.89 1.78 -1.00 0.70 0.00 0.00 175.22 176.42 2dk8 h PRO 27 N 7.74 0.00 0.17 0.24 0.13 -1.73 -3.17 132.00 135.38 2dk8 h PRO 27 Ca -0.16 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.63 2dk8 h PRO 27 Cb 1.04 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.17 2dk8 h PRO 27 CO 0.47 0.05 -1.72 0.45 -0.23 0.00 0.00 178.00 177.03 2dk8 h HIS 28 N 0.00 0.66 0.00 1.56 3.86 -1.93 -3.44 115.15 115.86 2dk8 h HIS 28 Ca -0.00 -0.48 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2dk8 h HIS 28 Cb 0.79 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.24 2dk8 h HIS 28 CO 0.00 1.67 0.00 0.41 0.86 0.00 0.00 177.93 180.87 2dk8 n GLY 29 N 1.86 1.36 3.11 2.45 0.00 -1.20 -4.53 105.19 108.25 2dk8 n GLY 29 Ca -0.25 -1.94 -0.18 0.00 0.00 0.00 0.00 46.02 43.65 2dk8 n GLY 29 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dk8 s ILE 30 N -1.16 0.95 -0.00 -0.61 -4.36 0.52 -4.79 121.20 111.74 2dk8 s ILE 30 Ca 0.00 -0.97 -0.01 0.00 -0.26 0.00 0.00 60.65 59.41 2dk8 s ILE 30 Cb 0.00 -0.88 -0.04 0.00 1.25 0.00 0.00 42.46 42.79 2dk8 s ILE 30 CO 0.00 -0.07 0.14 0.42 0.24 0.00 0.00 174.94 175.66 2dk8 s THR 31 N -0.91 5.10 0.48 8.37 -4.23 -1.26 -0.67 115.64 122.52 2dk8 s THR 31 Ca -0.01 -0.29 0.38 0.00 -1.18 0.00 0.00 61.69 60.60 2dk8 s THR 31 Cb -0.08 -3.36 0.58 0.00 1.34 0.00 0.00 72.50 70.98 2dk8 s THR 31 CO 0.01 0.33 1.57 -0.67 -0.54 0.00 0.00 174.62 175.32 2dk8 n ASP 32 N 1.03 0.14 0.20 3.99 2.03 -1.26 0.16 116.55 122.84 2dk8 n ASP 32 Ca -0.12 1.27 -0.15 0.00 0.52 0.00 0.00 54.79 56.31 2dk8 n ASP 32 Cb 0.53 -0.63 -0.08 0.00 -0.72 0.00 0.00 41.12 40.22 2dk8 n ASP 32 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 2dk8 h GLN 33 N 0.00 -0.43 0.00 -0.67 4.15 -1.94 -1.30 115.11 114.92 2dk8 h GLN 33 Ca 0.91 0.03 0.00 0.00 0.77 0.00 0.00 58.65 60.36 2dk8 h GLN 33 Cb 3.16 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 30.94 2dk8 h GLN 33 CO -0.32 -0.29 -0.07 0.28 -1.93 0.00 0.00 178.83 176.50 2dk8 h VAL 34 N -0.45 0.00 -1.29 2.39 2.07 0.12 0.33 116.25 119.42 2dk8 h VAL 34 Ca -0.04 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.85 2dk8 h VAL 34 Cb 0.34 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 2dk8 h VAL 34 CO 0.07 0.00 1.11 0.40 0.02 0.00 0.00 177.57 179.17 2dk8 h ILE 35 N -0.09 0.14 0.02 4.57 2.04 -1.50 1.19 117.51 123.88 2dk8 h ILE 35 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 2dk8 h ILE 35 Cb 0.10 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 2dk8 h ILE 35 CO -0.05 0.00 -0.01 -0.61 0.00 0.00 0.00 178.15 177.48 2dk8 h GLN 36 N 0.00 -0.03 0.00 2.37 4.15 0.81 1.47 115.11 123.88 2dk8 h GLN 36 Ca 0.61 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.03 2dk8 h GLN 36 Cb 2.82 0.01 0.00 0.00 0.21 0.00 0.00 27.48 30.51 2dk8 h GLN 36 CO -0.01 0.32 0.00 -0.97 -1.93 0.00 0.00 178.83 176.24 2dk8 h ASN 37 N -0.38 0.00 0.13 -0.69 -0.73 0.28 0.36 115.58 114.55 2dk8 h ASN 37 Ca -0.00 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 57.87 2dk8 h ASN 37 Cb 0.36 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.95 2dk8 h ASN 37 CO 0.00 0.00 -1.49 -0.33 -0.37 0.00 0.00 177.43 175.24 2dk8 h GLU 38 N 0.00 0.27 -1.93 6.67 4.39 -0.13 -3.42 114.58 120.43 2dk8 h GLU 38 Ca 0.00 -0.46 -0.53 0.00 0.34 0.00 0.00 59.36 58.71 2dk8 h GLU 38 Cb 0.62 0.17 -0.38 0.00 -0.10 0.00 0.00 28.75 29.05 2dk8 h GLU 38 CO 0.00 1.22 -1.11 -1.33 -1.16 0.00 0.00 179.01 176.63 2dk8 n MET 39 N -3.85 0.77 0.00 2.33 2.81 0.50 -4.91 117.12 114.76 2dk8 n MET 39 Ca -0.25 -3.20 0.12 0.00 -1.81 0.00 0.00 57.70 52.55 2dk8 n MET 39 Cb 0.93 -1.32 0.68 0.00 -0.71 0.00 0.00 33.22 32.80 2dk8 n MET 39 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2dk8 n PRO 40 N 1.18 0.64 0.02 0.03 -0.04 0.13 -2.09 135.00 134.87 2dk8 n PRO 40 Ca 0.21 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 2dk8 n PRO 40 Cb 0.56 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.74 2dk8 n PRO 40 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2dk8 n HIS 41 N -1.07 0.21 -2.61 0.54 1.44 -1.26 -4.88 115.22 107.59 2dk8 n HIS 41 Ca 0.16 0.06 -0.36 0.00 -2.01 0.00 0.00 57.72 55.57 2dk8 n HIS 41 Cb 0.11 -0.41 -0.05 0.00 0.12 0.00 0.00 29.99 29.76 2dk8 n HIS 41 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2dk8 s ILE 42 N -3.07 3.86 0.83 0.61 -1.09 -0.89 -5.03 121.20 116.41 2dk8 s ILE 42 Ca 0.09 1.42 -0.12 0.00 -2.23 0.00 0.00 60.65 59.82 2dk8 s ILE 42 Cb 0.16 -3.73 0.09 0.00 -1.58 0.00 0.00 42.46 37.39 2dk8 s ILE 42 CO 0.71 0.01 1.10 -1.61 -1.23 0.00 0.00 174.94 173.92 2dk8 s GLU 43 N -2.47 1.85 0.19 2.79 2.02 -1.26 -4.78 118.70 117.04 2dk8 s GLU 43 Ca 0.57 0.63 -0.10 0.00 0.02 0.00 0.00 54.97 56.08 2dk8 s GLU 43 Cb -0.20 -1.89 0.10 0.00 0.10 0.00 0.00 34.13 32.24 2dk8 s GLU 43 CO 0.26 -1.78 1.75 0.00 0.02 0.00 0.00 175.26 175.50 2dk8 h ALA 44 N -1.20 0.87 0.03 5.21 0.00 -1.99 0.30 119.26 122.47 2dk8 h ALA 44 Ca -0.48 -0.18 -0.26 0.00 0.00 0.00 0.00 54.91 54.00 2dk8 h ALA 44 Cb 1.28 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.82 2dk8 h ALA 44 CO 0.59 0.48 -1.05 1.96 0.00 0.00 0.00 179.25 181.24 2dk8 h GLN 45 N 0.94 0.55 -0.33 0.00 4.20 -1.99 -2.78 115.11 115.71 2dk8 h GLN 45 Ca 0.22 -0.63 -0.01 0.00 0.06 0.00 0.00 58.65 58.29 2dk8 h GLN 45 Cb 0.21 0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2dk8 h GLN 45 CO -0.02 1.24 0.15 1.96 -0.67 0.00 0.00 178.83 181.50 2dk8 h GLN 46 N 0.29 0.48 -0.37 1.46 1.08 -1.86 1.08 115.11 117.27 2dk8 h GLN 46 Ca -0.12 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 57.02 2dk8 h GLN 46 Cb 1.70 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 29.02 2dk8 h GLN 46 CO 0.19 0.45 0.23 0.00 -0.95 0.00 0.00 178.83 178.75 2dk8 h ARG 47 N 0.39 0.46 0.06 1.46 3.08 -0.46 -1.20 114.38 118.17 2dk8 h ARG 47 Ca 0.11 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 2dk8 h ARG 47 Cb 0.13 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2dk8 h ARG 47 CO -0.01 0.30 -0.03 0.00 -1.07 0.00 0.00 179.97 179.16 2dk8 h ALA 48 N 1.15 -0.08 -0.31 0.04 0.00 -1.25 -2.50 119.26 116.31 2dk8 h ALA 48 Ca 0.14 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2dk8 h ALA 48 Cb -0.02 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2dk8 h ALA 48 CO -0.05 -0.34 -0.24 0.28 0.00 0.00 0.00 179.25 178.90 2dk8 h VAL 49 N -0.49 0.00 -0.74 0.00 2.07 0.14 1.55 116.25 118.78 2dk8 h VAL 49 Ca -0.01 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.67 2dk8 h VAL 49 Cb 0.43 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.07 2dk8 h VAL 49 CO 0.01 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.51 2dk8 h ALA 50 N -0.55 0.63 0.47 1.67 0.00 -1.28 0.74 119.26 120.94 2dk8 h ALA 50 Ca 0.05 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2dk8 h ALA 50 Cb 0.21 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2dk8 h ALA 50 CO -0.33 -0.42 -0.34 0.82 0.00 0.00 0.00 179.25 178.98 2dk8 h ILE 51 N 0.04 0.00 -0.67 0.00 2.04 0.01 0.10 117.51 119.03 2dk8 h ILE 51 Ca 0.38 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.37 2dk8 h ILE 51 Cb 0.63 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.59 2dk8 h ILE 51 CO -0.72 0.00 -0.26 -1.13 0.00 0.00 0.00 178.15 176.04 2dk8 h ASN 52 N -0.78 -0.94 -0.09 1.72 -0.73 0.33 0.69 115.58 115.79 2dk8 h ASN 52 Ca -0.06 0.23 0.03 0.00 1.87 0.00 0.00 56.30 58.37 2dk8 h ASN 52 Cb 0.64 0.52 -0.06 0.00 0.27 0.00 0.00 38.32 39.69 2dk8 h ASN 52 CO 0.03 -0.27 -0.49 0.03 -0.37 0.00 0.00 177.43 176.36 2dk8 h ARG 53 N -0.08 -0.55 -0.32 6.67 -0.00 0.72 0.20 114.38 121.03 2dk8 h ARG 53 Ca 0.29 0.04 0.06 0.00 -0.50 0.00 0.00 59.98 59.87 2dk8 h ARG 53 Cb 0.54 0.12 -0.05 0.00 0.00 0.00 0.00 29.97 30.58 2dk8 h ARG 53 CO -0.73 -0.37 -0.02 -0.07 0.00 0.00 0.00 179.97 178.79 2dk8 h LEU 54 N -0.57 -0.17 -0.62 3.04 3.38 0.10 1.48 115.31 121.96 2dk8 h LEU 54 Ca 0.05 0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.22 2dk8 h LEU 54 Cb 0.67 0.15 -0.12 0.00 0.09 0.00 0.00 40.66 41.45 2dk8 h LEU 54 CO -0.40 -0.05 -0.17 -0.07 0.09 0.00 0.00 178.44 177.85 2dk8 h LEU 55 N 0.07 -0.61 0.42 1.67 3.38 0.14 0.19 115.31 120.57 2dk8 h LEU 55 Ca 0.16 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 2dk8 h LEU 55 Cb 0.22 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2dk8 h LEU 55 CO -0.28 -0.21 -0.20 -1.28 0.09 0.00 0.00 178.44 176.56 2dk8 h SER 56 N -0.01 -0.48 -1.45 -0.43 0.87 0.53 -3.18 113.55 109.40 2dk8 h SER 56 Ca 0.30 0.01 0.46 0.00 -1.23 0.00 0.00 61.79 61.33 2dk8 h SER 56 Cb 0.46 0.12 -0.10 0.00 -0.44 0.00 0.00 62.40 62.45 2dk8 h SER 56 CO -0.64 -0.05 0.99 0.23 -0.53 0.00 0.00 176.83 176.83 2dk8 n MET 57 N -5.15 -0.02 -0.43 2.24 2.81 0.50 -4.69 117.12 112.37 2dk8 n MET 57 Ca -0.07 1.04 0.00 0.00 -1.81 0.00 0.00 57.70 56.86 2dk8 n MET 57 Cb 0.22 -2.19 0.00 0.00 -0.71 0.00 0.00 33.22 30.54 2dk8 n MET 57 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dk8 n GLY 58 N -1.61 0.75 0.01 3.03 0.00 0.62 -4.95 105.19 103.04 2dk8 n GLY 58 Ca 0.37 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 46.04 2dk8 n GLY 58 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dk8 n GLN 59 N -2.39 0.46 -4.57 1.61 1.13 -0.84 -4.78 117.38 108.01 2dk8 n GLN 59 Ca 0.00 -0.12 -0.26 0.00 -1.94 0.00 0.00 57.00 54.68 2dk8 n GLN 59 Cb 0.00 -1.54 -0.14 0.00 0.11 0.00 0.00 30.24 28.68 2dk8 n GLN 59 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2dk8 s LEU 60 N -4.13 2.22 -0.18 1.08 2.96 -1.13 -3.55 118.68 115.95 2dk8 s LEU 60 Ca -0.03 -0.61 0.00 0.00 -0.22 0.00 0.00 54.13 53.28 2dk8 s LEU 60 Cb 0.14 -1.04 0.01 0.00 0.50 0.00 0.00 46.19 45.80 2dk8 s LEU 60 CO 0.89 0.16 -0.17 -1.81 -1.32 0.00 0.00 176.35 174.09 2dk8 s ASP 61 N -1.49 3.37 -0.04 3.68 1.01 0.83 -4.33 116.67 119.70 2dk8 s ASP 61 Ca 0.09 -0.58 -0.21 0.00 0.71 0.00 0.00 52.55 52.56 2dk8 s ASP 61 Cb -0.09 -1.52 -0.05 0.00 1.01 0.00 0.00 42.92 42.26 2dk8 s ASP 61 CO 0.03 0.02 0.61 -0.22 0.21 0.00 0.00 175.17 175.83 2dk8 s LEU 62 N 1.17 4.36 -0.26 1.23 0.20 -1.26 -0.53 118.68 123.60 2dk8 s LEU 62 Ca 0.02 1.12 0.00 0.00 0.69 0.00 0.00 54.13 55.96 2dk8 s LEU 62 Cb -0.14 -2.94 0.08 0.00 -0.43 0.00 0.00 46.19 42.75 2dk8 s LEU 62 CO -0.08 0.01 0.02 -0.22 -0.29 0.00 0.00 176.35 175.80 2dk8 s LEU 63 N 0.26 2.49 -0.52 -0.68 0.20 0.31 -4.96 118.68 115.79 2dk8 s LEU 63 Ca 0.32 -1.37 -0.28 0.00 0.69 0.00 0.00 54.13 53.49 2dk8 s LEU 63 Cb -0.18 -1.04 0.01 0.00 -0.43 0.00 0.00 46.19 44.56 2dk8 s LEU 63 CO 0.16 -0.32 1.39 -0.13 -0.29 0.00 0.00 176.35 177.16 2dk8 s ARG 64 N 1.48 3.40 0.32 1.98 0.52 -1.26 0.37 118.95 125.76 2dk8 s ARG 64 Ca 0.02 0.58 0.04 0.00 -0.52 0.00 0.00 55.73 55.84 2dk8 s ARG 64 Cb -0.18 -4.08 -0.03 0.00 0.52 0.00 0.00 34.95 31.17 2dk8 s ARG 64 CO -0.12 -1.80 0.18 0.45 0.02 0.00 0.00 175.30 174.02 2dk8 s SER 65 N 4.14 1.63 0.32 0.23 0.15 -1.25 -4.97 113.70 113.95 2dk8 s SER 65 Ca 0.54 -1.61 -0.26 0.00 0.70 0.00 0.00 55.95 55.32 2dk8 s SER 65 Cb -0.11 0.44 -0.14 0.00 -1.71 0.00 0.00 66.02 64.50 2dk8 s SER 65 CO 0.27 -0.93 0.85 -3.20 1.20 0.00 0.00 173.24 171.43 2dk8 n ASN 66 N -1.08 0.49 -2.46 5.45 2.85 -1.26 -4.04 115.26 115.21 2dk8 n ASN 66 Ca 0.02 1.10 -0.02 0.00 -0.11 0.00 0.00 54.58 55.57 2dk8 n ASN 66 Cb 0.64 -1.21 -0.02 0.00 1.24 0.00 0.00 39.78 40.43 2dk8 n ASN 66 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 2dk8 n THR 67 N -0.12-10.80 -2.12 -0.44 -1.04 -1.26 -4.85 114.28 93.66 2dk8 n THR 67 Ca 0.11 1.91 0.00 0.00 -2.04 0.00 0.00 64.05 64.03 2dk8 n THR 67 Cb 0.33 -6.27 -0.00 0.00 -1.82 0.00 0.00 70.33 62.57 2dk8 n THR 67 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dk8 n GLY 68 N 0.97 -0.40 3.98 3.41 0.00 -1.26 -4.80 105.19 107.09 2dk8 n GLY 68 Ca -0.16 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.23 2dk8 n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dk8 s LEU 69 N 0.00 3.75 0.16 0.99 1.43 -1.26 -3.74 118.68 120.01 2dk8 s LEU 69 Ca 0.00 -0.03 0.10 0.00 -1.03 0.00 0.00 54.13 53.17 2dk8 s LEU 69 Cb 0.00 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 2dk8 s LEU 69 CO 0.00 -0.63 -0.23 -0.22 0.23 0.00 0.00 176.35 175.49 2dk8 s LEU 70 N -4.39 2.39 -0.12 1.79 0.20 0.16 -4.37 118.68 114.34 2dk8 s LEU 70 Ca 0.48 -0.81 -0.01 0.00 0.69 0.00 0.00 54.13 54.48 2dk8 s LEU 70 Cb -0.10 -1.08 0.04 0.00 -0.43 0.00 0.00 46.19 44.62 2dk8 s LEU 70 CO 0.34 0.10 -0.02 -0.31 -0.29 0.00 0.00 176.35 176.18 2dk8 s TYR 71 N -1.51 1.07 0.46 5.38 2.02 0.16 0.11 117.35 125.04 2dk8 s TYR 71 Ca 0.16 -0.56 0.03 0.00 -0.37 0.00 0.00 57.07 56.32 2dk8 s TYR 71 Cb -0.08 -1.02 -0.02 0.00 -0.40 0.00 0.00 41.96 40.44 2dk8 s TYR 71 CO 0.07 -0.47 0.07 -0.98 -1.57 0.00 0.00 175.55 172.68 2dk8 s ARG 72 N 1.84 2.05 0.05 -0.62 1.70 0.31 0.19 118.95 124.49 2dk8 s ARG 72 Ca 0.03 -2.28 -0.31 0.00 -0.47 0.00 0.00 55.73 52.71 2dk8 s ARG 72 Cb -0.14 -1.04 -0.06 0.00 -0.57 0.00 0.00 34.95 33.14 2dk8 s ARG 72 CO -0.07 -0.42 1.35 0.42 -1.08 0.00 0.00 175.30 175.50 2dk8 s ILE 73 N -3.05 3.65 0.34 4.99 -1.09 -1.25 -0.12 121.20 124.68 2dk8 s ILE 73 Ca 0.16 1.13 -0.29 0.00 -2.23 0.00 0.00 60.65 59.42 2dk8 s ILE 73 Cb 0.02 -3.73 -0.11 0.00 -1.58 0.00 0.00 42.46 37.06 2dk8 s ILE 73 CO 0.09 0.05 1.51 -0.75 -1.23 0.00 0.00 174.94 174.62 2dk8 s LYS 74 N 1.62 4.13 0.18 2.79 2.20 -1.23 -4.69 119.74 124.75 2dk8 s LYS 74 Ca 0.63 2.54 -0.24 0.00 -0.36 0.00 0.00 55.97 58.54 2dk8 s LYS 74 Cb -0.33 -3.00 0.05 0.00 -1.51 0.00 0.00 37.83 33.05 2dk8 s LYS 74 CO 0.28 -0.54 0.79 0.34 -0.36 0.00 0.00 175.35 175.86 2dk8 s ASP 75 N 0.08 -0.31 0.15 1.43 -1.08 -1.26 -4.99 116.67 110.69 2dk8 s ASP 75 Ca 0.56 -0.35 0.00 0.00 -0.52 0.00 0.00 52.55 52.25 2dk8 s ASP 75 Cb -0.46 0.58 0.00 0.00 -1.46 0.00 0.00 42.92 41.58 2dk8 s ASP 75 CO 0.56 -1.04 0.00 -0.24 0.52 0.00 0.00 175.17 174.97 2dk8 n SER 76 N -0.42 0.35 -4.38 -0.34 2.88 -1.26 -5.09 113.62 105.35 2dk8 n SER 76 Ca -0.08 0.24 -0.36 0.00 -1.33 0.00 0.00 58.87 57.34 2dk8 n SER 76 Cb 0.61 0.03 0.07 0.00 -0.75 0.00 0.00 64.21 64.17 2dk8 n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk8 n GLY 77 N 2.52 -2.13 3.35 0.46 0.00 -1.26 -4.76 105.19 103.36 2dk8 n GLY 77 Ca 0.00 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 2dk8 n GLY 77 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dk8 n PRO 78 N -0.36 2.32 -4.76 1.61 -0.04 -1.26 -4.91 135.00 127.60 2dk8 n PRO 78 Ca 0.08 -2.64 -0.33 0.00 -0.04 0.00 0.00 63.50 60.57 2dk8 n PRO 78 Cb 0.51 -3.43 -0.12 0.00 -0.04 0.00 0.00 33.50 30.42 2dk8 n PRO 78 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dk8 s SER 79 N 4.92 4.23 -0.48 3.54 0.01 -1.26 -5.09 113.70 119.57 2dk8 s SER 79 Ca 0.58 -0.16 -0.15 0.00 1.31 0.00 0.00 55.95 57.53 2dk8 s SER 79 Cb 0.06 -0.94 0.09 0.00 0.21 0.00 0.00 66.02 65.44 2dk8 s SER 79 CO 0.08 0.34 0.40 -0.44 0.41 0.00 0.00 173.24 174.03 2dk8 s SER 80 N -0.87 6.08 0.00 2.44 0.01 -1.26 -5.09 113.70 115.00 2dk8 s SER 80 Ca 0.13 -1.48 0.00 0.00 1.31 0.00 0.00 55.95 55.90 2dk8 s SER 80 Cb -0.11 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 63.96 2dk8 s SER 80 CO 0.02 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.59