#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 -0.32 -0.01 1.61 1.04 -1.26 -5.07 113.70 109.68 2dk8 s SER 2 Ca 0.00 -0.01 -0.02 0.00 0.48 0.00 0.00 55.95 56.40 2dk8 s SER 2 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2dk8 s SER 2 CO 0.00 -0.72 0.05 -0.44 0.98 0.00 0.00 173.24 173.11 2dk8 s SER 3 N -2.15 0.00 0.00 7.02 0.01 -1.26 -5.12 113.70 112.19 2dk8 s SER 3 Ca -0.04 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.20 2dk8 s SER 3 Cb -0.00 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.36 2dk8 s SER 3 CO -0.04 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2dk8 n GLY 4 N 2.62 0.71 3.64 3.44 0.00 -1.26 -5.11 105.19 109.23 2dk8 n GLY 4 Ca -0.15 -2.23 -0.03 0.00 0.00 0.00 0.00 46.02 43.60 2dk8 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk8 s SER 5 N -1.56 -0.29 -0.10 1.61 1.04 -1.26 -5.10 113.70 108.04 2dk8 s SER 5 Ca 0.00 0.51 -0.08 0.00 0.48 0.00 0.00 55.95 56.86 2dk8 s SER 5 Cb 0.00 0.79 0.03 0.00 0.10 0.00 0.00 66.02 66.94 2dk8 s SER 5 CO 0.00 -0.08 0.15 -0.24 0.98 0.00 0.00 173.24 174.05 2dk8 n SER 6 N 2.62 -3.73 0.00 7.02 2.88 -1.26 -5.06 113.62 116.09 2dk8 n SER 6 Ca -0.14 1.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.89 2dk8 n SER 6 Cb 0.57 -4.95 0.00 0.00 -0.75 0.00 0.00 64.21 59.08 2dk8 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk8 n GLY 7 N 1.83 3.75 2.95 0.46 0.00 -1.26 -5.00 105.19 107.92 2dk8 n GLY 7 Ca -0.26 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.39 2.15 -3.30 1.61 -0.04 -1.26 -4.69 135.00 128.07 2dk8 n PRO 8 Ca 0.00 -2.23 -0.09 0.00 -0.04 0.00 0.00 63.50 61.14 2dk8 n PRO 8 Cb 0.00 -3.11 -0.06 0.00 -0.04 0.00 0.00 33.50 30.29 2dk8 n PRO 8 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2dk8 s ASP 9 N 4.20 0.37 -0.27 3.54 2.15 -1.26 -5.10 116.67 120.31 2dk8 s ASP 9 Ca 0.53 -0.53 -0.01 0.00 0.43 0.00 0.00 52.55 52.97 2dk8 s ASP 9 Cb 0.14 1.09 0.14 0.00 -0.30 0.00 0.00 42.92 43.99 2dk8 s ASP 9 CO 0.02 -0.34 0.35 0.00 -0.17 0.00 0.00 175.17 175.04 2dk8 s ALA 10 N 2.40 -0.89 0.81 3.66 0.00 -1.26 -4.99 121.76 121.48 2dk8 s ALA 10 Ca 0.11 0.31 -0.17 0.00 0.00 0.00 0.00 51.96 52.20 2dk8 s ALA 10 Cb -0.12 -1.81 -0.14 0.00 0.00 0.00 0.00 23.12 21.05 2dk8 s ALA 10 CO -0.26 -1.53 -0.50 -3.47 0.00 0.00 0.00 175.76 169.99 2dk8 n ASP 11 N 5.34 -4.98 0.09 0.00 2.03 -1.26 -4.79 116.55 112.98 2dk8 n ASP 11 Ca -0.02 0.37 -0.05 0.00 0.52 0.00 0.00 54.79 55.61 2dk8 n ASP 11 Cb 0.49 -0.81 -0.02 0.00 -0.72 0.00 0.00 41.12 40.05 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 -0.63 -0.31 -0.98 -0.67 0.13 -2.00 -2.98 132.00 124.57 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 1.35 0.07 -0.16 0.00 0.13 0.00 0.00 31.00 32.39 2dk8 h PRO 12 CO 0.31 -0.20 -0.36 1.55 -0.23 0.00 0.00 178.00 179.06 2dk8 n VAL 13 N -4.79 -0.50 0.05 1.56 3.14 -1.26 -0.34 118.33 116.18 2dk8 n VAL 13 Ca -0.04 2.28 -0.13 0.00 -2.96 0.00 0.00 64.34 63.50 2dk8 n VAL 13 Cb 0.13 -3.04 -0.08 0.00 -1.06 0.00 0.00 33.84 29.79 2dk8 n VAL 13 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2dk8 h GLU 14 N 0.00 -0.52 -0.82 1.45 4.39 -1.93 1.00 114.58 118.14 2dk8 h GLU 14 Ca 0.36 0.04 0.09 0.00 0.34 0.00 0.00 59.36 60.19 2dk8 h GLU 14 Cb 0.60 0.12 -0.12 0.00 -0.10 0.00 0.00 28.75 29.26 2dk8 h GLU 14 CO -0.98 -0.35 -0.52 0.82 -1.16 0.00 0.00 179.01 176.82 2dk8 h ILE 15 N -0.54 0.01 -0.17 3.13 2.04 -0.52 0.48 117.51 121.94 2dk8 h ILE 15 Ca 0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.90 2dk8 h ILE 15 Cb 0.58 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.61 2dk8 h ILE 15 CO -0.28 0.00 -0.47 -0.33 0.00 0.00 0.00 178.15 177.07 2dk8 h GLU 16 N -0.11 -0.45 -0.97 2.37 5.08 -0.44 -1.28 114.58 118.79 2dk8 h GLU 16 Ca 0.18 0.03 0.13 0.00 -1.00 0.00 0.00 59.36 58.70 2dk8 h GLU 16 Cb 0.50 0.10 -0.15 0.00 0.50 0.00 0.00 28.75 29.71 2dk8 h GLU 16 CO -0.85 -0.30 -0.45 -0.91 -1.00 0.00 0.00 179.01 175.51 2dk8 h ASN 17 N -0.46 -1.64 -0.94 1.42 2.35 0.99 0.78 115.58 118.07 2dk8 h ASN 17 Ca 0.04 0.31 0.20 0.00 -0.55 0.00 0.00 56.30 56.30 2dk8 h ASN 17 Cb 0.57 0.81 -0.18 0.00 0.05 0.00 0.00 38.32 39.57 2dk8 h ASN 17 CO -0.41 -0.28 -0.20 0.03 -1.65 0.00 0.00 177.43 174.93 2dk8 h ARG 18 N -0.02 0.00 -0.55 0.81 2.47 0.19 1.24 114.38 118.53 2dk8 h ARG 18 Ca 0.28 -0.00 0.02 0.00 -1.26 0.00 0.00 59.98 59.03 2dk8 h ARG 18 Cb 0.54 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.83 2dk8 h ARG 18 CO -0.95 0.00 0.33 0.82 0.56 0.00 0.00 179.97 180.73 2dk8 h ILE 19 N 0.00 1.07 0.45 2.04 2.04 0.98 -1.50 117.51 122.59 2dk8 h ILE 19 Ca 0.47 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 66.09 2dk8 h ILE 19 Cb 0.75 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2dk8 h ILE 19 CO -0.96 0.12 -0.44 0.40 0.00 0.00 0.00 178.15 177.28 2dk8 h ILE 20 N 0.67 0.13 -1.10 -0.67 1.08 0.25 0.88 117.51 118.76 2dk8 h ILE 20 Ca 0.22 0.00 0.30 0.00 -0.39 0.00 0.00 64.86 64.99 2dk8 h ILE 20 Cb 0.01 0.13 -0.10 0.00 -3.07 0.00 0.00 36.82 33.79 2dk8 h ILE 20 CO -0.09 0.00 0.71 -0.33 -0.69 0.00 0.00 178.15 177.75 2dk8 h GLU 21 N -0.89 0.31 0.21 2.37 5.08 -0.32 0.36 114.58 121.69 2dk8 h GLU 21 Ca -0.05 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2dk8 h GLU 21 Cb 0.79 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2dk8 h GLU 21 CO -0.06 0.20 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.99 2dk8 h LEU 22 N 0.32 -0.24 -1.92 1.33 3.38 -0.14 -1.51 115.31 116.54 2dk8 h LEU 22 Ca 0.64 -0.20 0.38 0.00 0.09 0.00 0.00 57.88 58.78 2dk8 h LEU 22 Cb 1.74 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 42.49 2dk8 h LEU 22 CO -0.31 0.29 0.92 0.00 0.09 0.00 0.00 178.44 179.44 2dk8 h HIS 24 N 0.04 0.65 -0.37 0.00 3.86 -0.29 -3.21 115.15 115.82 2dk8 h HIS 24 Ca 0.63 -0.33 -0.05 0.00 -1.16 0.00 0.00 60.37 59.46 2dk8 h HIS 24 Cb 2.44 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 30.81 2dk8 h HIS 24 CO -0.00 1.14 0.01 1.96 0.86 0.00 0.00 177.93 181.90 2dk8 h GLN 25 N -0.03 0.58 -4.74 2.45 1.08 0.26 -3.38 115.11 111.34 2dk8 h GLN 25 Ca -0.07 -0.13 -0.66 0.00 -1.45 0.00 0.00 58.65 56.35 2dk8 h GLN 25 Cb 1.29 -0.08 -0.39 0.00 -0.05 0.00 0.00 27.48 28.25 2dk8 h GLN 25 CO 0.12 0.59 -0.75 -0.06 -0.95 0.00 0.00 178.83 177.78 2dk8 s PHE 26 N -4.99 3.51 -0.04 2.96 0.40 0.18 -4.95 117.98 115.05 2dk8 s PHE 26 Ca -0.08 -2.69 0.22 0.00 -0.60 0.00 0.00 56.93 53.79 2dk8 s PHE 26 Cb 0.15 -2.47 0.64 0.00 0.51 0.00 0.00 43.02 41.85 2dk8 s PHE 26 CO 0.77 -0.92 1.70 -1.00 0.70 0.00 0.00 175.22 176.48 2dk8 h PRO 27 N 7.69 0.00 -0.07 0.24 0.13 -1.74 -3.04 132.00 135.21 2dk8 h PRO 27 Ca -0.11 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.83 2dk8 h PRO 27 Cb 1.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 2dk8 h PRO 27 CO 0.49 0.24 -0.77 0.45 -0.23 0.00 0.00 178.00 178.18 2dk8 h HIS 28 N 0.00 0.57 0.00 1.56 3.86 -1.92 -3.42 115.15 115.80 2dk8 h HIS 28 Ca -0.00 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 2dk8 h HIS 28 Cb 0.94 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.32 2dk8 h HIS 28 CO 0.00 1.03 0.00 0.41 0.86 0.00 0.00 177.93 180.23 2dk8 n GLY 29 N 0.63 2.45 3.15 2.45 0.00 -1.15 -4.69 105.19 108.03 2dk8 n GLY 29 Ca -0.05 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.77 0.82 0.20 -0.61 -4.36 0.50 -4.81 121.20 111.17 2dk8 s ILE 30 Ca 0.00 -1.56 0.07 0.00 -0.26 0.00 0.00 60.65 58.90 2dk8 s ILE 30 Cb 0.00 -1.25 -0.04 0.00 1.25 0.00 0.00 42.46 42.42 2dk8 s ILE 30 CO 0.00 -0.57 0.04 0.42 0.24 0.00 0.00 174.94 175.07 2dk8 s THR 31 N -2.39 3.83 0.24 8.37 -4.23 -1.26 0.35 115.64 120.56 2dk8 s THR 31 Ca 0.03 -1.48 -0.16 0.00 -1.18 0.00 0.00 61.69 58.90 2dk8 s THR 31 Cb -0.03 -2.97 0.27 0.00 1.34 0.00 0.00 72.50 71.11 2dk8 s THR 31 CO -0.01 -0.19 1.55 0.47 -0.54 0.00 0.00 174.62 175.90 2dk8 n ASP 32 N -0.43 -0.60 -0.23 3.99 9.92 -1.26 0.36 116.55 128.31 2dk8 n ASP 32 Ca -0.09 1.73 -0.08 0.00 -0.53 0.00 0.00 54.79 55.83 2dk8 n ASP 32 Cb 0.56 -0.42 -0.03 0.00 -0.64 0.00 0.00 41.12 40.60 2dk8 n ASP 32 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 2dk8 h GLN 33 N 0.00 -0.19 0.00 -1.24 4.20 -1.97 0.58 115.11 116.50 2dk8 h GLN 33 Ca 0.37 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.09 2dk8 h GLN 33 Cb 0.62 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.44 2dk8 h GLN 33 CO -0.99 -0.12 0.00 0.28 -0.67 0.00 0.00 178.83 177.32 2dk8 n VAL 34 N -5.41 0.00 0.02 -0.54 0.31 0.16 0.10 118.33 112.97 2dk8 n VAL 34 Ca 0.03 1.48 0.22 0.00 -0.01 0.00 0.00 64.34 66.06 2dk8 n VAL 34 Cb 0.35 -2.16 0.62 0.00 -0.91 0.00 0.00 33.84 31.74 2dk8 n VAL 34 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2dk8 h ILE 35 N 0.00 0.19 0.15 2.52 2.04 -0.82 0.39 117.51 121.97 2dk8 h ILE 35 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2dk8 h ILE 35 Cb 0.00 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2dk8 h ILE 35 CO 0.00 0.00 -0.07 -0.61 0.00 0.00 0.00 178.15 177.47 2dk8 h GLN 36 N 0.00 -0.19 0.00 2.37 4.15 0.58 1.45 115.11 123.46 2dk8 h GLN 36 Ca 0.27 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.70 2dk8 h GLN 36 Cb 1.72 0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.45 2dk8 h GLN 36 CO -0.00 0.24 0.00 -0.91 -1.93 0.00 0.00 178.83 176.23 2dk8 h ASN 37 N -0.88 0.00 0.02 -0.69 2.35 0.45 0.47 115.58 117.30 2dk8 h ASN 37 Ca -0.02 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.38 2dk8 h ASN 37 Cb 0.52 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.85 2dk8 h ASN 37 CO 0.03 0.00 -1.92 -0.62 -1.65 0.00 0.00 177.43 173.28 2dk8 n GLU 38 N -2.51 0.61 -3.23 0.81 -0.58 0.97 -4.71 120.64 111.99 2dk8 n GLU 38 Ca 0.00 0.38 -0.24 0.00 -0.42 0.00 0.00 57.16 56.88 2dk8 n GLU 38 Cb 0.16 -1.64 -0.06 0.00 -0.57 0.00 0.00 31.44 29.33 2dk8 n GLU 38 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2dk8 n MET 39 N -4.10 1.44 0.00 3.49 2.81 0.49 -4.89 117.12 116.36 2dk8 n MET 39 Ca -0.41 -3.77 0.11 0.00 -1.81 0.00 0.00 57.70 51.82 2dk8 n MET 39 Cb 0.84 -1.64 0.50 0.00 -0.71 0.00 0.00 33.22 32.21 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 0.97 0.11 -0.03 0.03 -0.04 0.16 -2.33 135.00 133.88 2dk8 n PRO 40 Ca 0.25 0.11 0.09 0.00 -0.04 0.00 0.00 63.50 63.91 2dk8 n PRO 40 Cb 0.50 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.92 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 -1.43 0.09 -3.41 0.54 1.44 -1.26 -4.81 115.22 106.38 2dk8 n HIS 41 Ca 0.07 -0.04 -0.36 0.00 -2.01 0.00 0.00 57.72 55.37 2dk8 n HIS 41 Cb 0.23 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.28 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 -1.91 4.91 0.72 0.61 -1.09 -0.98 -4.91 121.20 118.54 2dk8 s ILE 42 Ca 0.28 0.85 -0.11 0.00 -2.23 0.00 0.00 60.65 59.44 2dk8 s ILE 42 Cb 0.14 -3.75 0.02 0.00 -1.58 0.00 0.00 42.46 37.29 2dk8 s ILE 42 CO 0.22 0.38 1.07 -1.61 -1.23 0.00 0.00 174.94 173.77 2dk8 s GLU 43 N -1.59 2.71 0.25 2.79 2.02 -1.26 -4.78 118.70 118.84 2dk8 s GLU 43 Ca 0.32 0.92 -0.06 0.00 0.02 0.00 0.00 54.97 56.17 2dk8 s GLU 43 Cb -0.16 -1.97 0.26 0.00 0.10 0.00 0.00 34.13 32.36 2dk8 s GLU 43 CO 0.18 -1.25 1.92 0.00 0.02 0.00 0.00 175.26 176.12 2dk8 h ALA 44 N -0.83 1.25 0.11 5.21 0.00 -1.98 0.56 119.26 123.59 2dk8 h ALA 44 Ca -0.44 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.19 2dk8 h ALA 44 Cb 1.22 -0.38 0.02 0.00 0.00 0.00 0.00 17.79 18.65 2dk8 h ALA 44 CO 0.57 0.60 -0.92 1.96 0.00 0.00 0.00 179.25 181.46 2dk8 h GLN 45 N 1.30 0.43 -0.88 0.00 4.20 -1.99 -2.92 115.11 115.25 2dk8 h GLN 45 Ca 0.36 -0.61 0.02 0.00 0.06 0.00 0.00 58.65 58.49 2dk8 h GLN 45 Cb -0.12 0.21 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 2dk8 h GLN 45 CO -0.09 1.26 0.57 1.96 -0.67 0.00 0.00 178.83 181.87 2dk8 h GLN 46 N -0.11 1.11 -0.17 1.46 1.08 -1.84 1.42 115.11 118.05 2dk8 h GLN 46 Ca -0.15 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 56.98 2dk8 h GLN 46 Cb 1.67 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 28.85 2dk8 h GLN 46 CO 0.18 0.73 0.09 0.00 -0.95 0.00 0.00 178.83 178.87 2dk8 h ARG 47 N 1.14 0.24 0.17 1.46 3.08 0.05 -1.56 114.38 118.96 2dk8 h ARG 47 Ca 0.34 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 2dk8 h ARG 47 Cb -0.05 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2dk8 h ARG 47 CO -0.10 0.26 -0.08 0.00 -1.07 0.00 0.00 179.97 178.98 2dk8 h ALA 48 N 0.97 -0.23 -0.50 0.04 0.00 -1.23 -2.62 119.26 115.68 2dk8 h ALA 48 Ca 0.06 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2dk8 h ALA 48 Cb 0.10 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2dk8 h ALA 48 CO -0.01 -0.40 -0.30 0.28 0.00 0.00 0.00 179.25 178.83 2dk8 h VAL 49 N -0.69 0.00 -0.62 0.00 2.07 0.20 1.30 116.25 118.51 2dk8 h VAL 49 Ca -0.02 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.61 2dk8 h VAL 49 Cb 0.49 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.14 2dk8 h VAL 49 CO 0.04 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 177.37 2dk8 h ALA 50 N -0.24 0.17 0.25 1.67 0.00 -1.35 0.44 119.26 120.20 2dk8 h ALA 50 Ca 0.08 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2dk8 h ALA 50 Cb 0.21 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2dk8 h ALA 50 CO -0.47 -0.57 -0.37 0.82 0.00 0.00 0.00 179.25 178.66 2dk8 h ILE 51 N -0.10 0.00 -0.82 0.00 2.04 0.11 0.17 117.51 118.91 2dk8 h ILE 51 Ca 0.27 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.30 2dk8 h ILE 51 Cb 0.53 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.45 2dk8 h ILE 51 CO -0.68 0.00 -0.20 -1.13 0.00 0.00 0.00 178.15 176.14 2dk8 h ASN 52 N -0.65 -0.75 0.23 1.72 -0.73 0.26 0.81 115.58 116.46 2dk8 h ASN 52 Ca -0.03 0.25 -0.00 0.00 1.87 0.00 0.00 56.30 58.38 2dk8 h ASN 52 Cb 0.60 0.51 -0.02 0.00 0.27 0.00 0.00 38.32 39.67 2dk8 h ASN 52 CO -0.11 -0.27 -0.35 0.03 -0.37 0.00 0.00 177.43 176.36 2dk8 h ARG 53 N 0.00 -0.58 -0.45 6.67 -0.00 0.58 -0.72 114.38 119.88 2dk8 h ARG 53 Ca 0.40 0.04 0.09 0.00 -0.50 0.00 0.00 59.98 60.01 2dk8 h ARG 53 Cb 0.61 0.13 -0.09 0.00 0.00 0.00 0.00 29.97 30.62 2dk8 h ARG 53 CO -0.84 -0.39 -0.15 -0.07 0.00 0.00 0.00 179.97 178.51 2dk8 h LEU 54 N -0.60 -0.55 -0.18 3.04 3.38 0.96 1.18 115.31 122.54 2dk8 h LEU 54 Ca -0.03 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.11 2dk8 h LEU 54 Cb 0.55 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 2dk8 h LEU 54 CO -0.11 -0.19 -0.14 -0.07 0.09 0.00 0.00 178.44 178.02 2dk8 h LEU 55 N -0.05 -0.49 0.84 1.67 3.38 1.00 0.73 115.31 122.38 2dk8 h LEU 55 Ca 0.22 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 2dk8 h LEU 55 Cb 0.39 0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.36 2dk8 h LEU 55 CO -0.49 -0.07 -0.41 0.28 0.09 0.00 0.00 178.44 177.84 2dk8 h SER 56 N -0.04 -0.96 -0.85 -0.43 0.02 -0.56 -2.64 113.55 108.09 2dk8 h SER 56 Ca 0.03 0.03 0.32 0.00 -0.84 0.00 0.00 61.79 61.34 2dk8 h SER 56 Cb 0.12 0.25 -0.15 0.00 0.14 0.00 0.00 62.40 62.75 2dk8 h SER 56 CO -0.19 -0.68 0.34 0.23 -1.14 0.00 0.00 176.83 175.39 2dk8 n MET 57 N -5.58 -0.06 0.00 3.45 2.81 0.40 -4.73 117.12 113.42 2dk8 n MET 57 Ca -0.15 1.20 0.00 0.00 -1.81 0.00 0.00 57.70 56.94 2dk8 n MET 57 Cb 0.45 -2.09 0.00 0.00 -0.71 0.00 0.00 33.22 30.88 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 -1.28 1.31 0.00 3.03 0.00 0.24 -4.98 105.19 103.52 2dk8 n GLY 58 Ca 0.29 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.39 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 -1.54 1.10 -4.05 1.61 6.02 -0.28 -4.63 117.38 115.62 2dk8 n GLN 59 Ca 0.00 -0.03 -0.15 0.00 -0.01 0.00 0.00 57.00 56.81 2dk8 n GLN 59 Cb 0.00 -1.34 -0.14 0.00 1.02 0.00 0.00 30.24 29.77 2dk8 n GLN 59 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2dk8 s LEU 60 N -3.10 1.92 -0.18 1.08 2.96 -1.10 -3.41 118.68 116.86 2dk8 s LEU 60 Ca 0.04 -0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.88 2dk8 s LEU 60 Cb 0.13 -0.19 -0.01 0.00 0.50 0.00 0.00 46.19 46.63 2dk8 s LEU 60 CO 0.72 0.03 -0.11 -1.81 -1.32 0.00 0.00 176.35 173.86 2dk8 s ASP 61 N 0.03 3.94 0.01 3.68 1.01 0.15 -3.85 116.67 121.64 2dk8 s ASP 61 Ca 0.00 -0.42 -0.23 0.00 0.71 0.00 0.00 52.55 52.62 2dk8 s ASP 61 Cb -0.03 -1.63 -0.05 0.00 1.01 0.00 0.00 42.92 42.22 2dk8 s ASP 61 CO -0.00 0.06 0.68 -0.22 0.21 0.00 0.00 175.17 175.89 2dk8 s LEU 62 N 0.98 4.42 -0.18 1.23 0.20 -1.26 -0.31 118.68 123.76 2dk8 s LEU 62 Ca -0.01 1.28 -0.01 0.00 0.69 0.00 0.00 54.13 56.07 2dk8 s LEU 62 Cb -0.15 -3.07 0.05 0.00 -0.43 0.00 0.00 46.19 42.60 2dk8 s LEU 62 CO -0.01 0.04 -0.01 -0.22 -0.29 0.00 0.00 176.35 175.86 2dk8 s LEU 63 N -0.02 1.55 -0.52 -0.68 0.20 0.53 -4.96 118.68 114.78 2dk8 s LEU 63 Ca 0.35 -0.79 -0.28 0.00 0.69 0.00 0.00 54.13 54.10 2dk8 s LEU 63 Cb -0.19 -0.80 0.01 0.00 -0.43 0.00 0.00 46.19 44.78 2dk8 s LEU 63 CO 0.20 -0.25 1.41 -0.13 -0.29 0.00 0.00 176.35 177.29 2dk8 s ARG 64 N 1.70 3.39 0.33 1.98 0.52 -1.26 0.11 118.95 125.71 2dk8 s ARG 64 Ca -0.01 0.60 0.05 0.00 -0.52 0.00 0.00 55.73 55.85 2dk8 s ARG 64 Cb -0.17 -4.09 -0.07 0.00 0.52 0.00 0.00 34.95 31.15 2dk8 s ARG 64 CO -0.07 -1.82 0.03 -1.54 0.02 0.00 0.00 175.30 171.92 2dk8 s SER 65 N 4.26 2.66 0.07 0.23 1.04 -1.24 -4.95 113.70 115.77 2dk8 s SER 65 Ca 0.55 -1.34 -0.37 0.00 0.48 0.00 0.00 55.95 55.27 2dk8 s SER 65 Cb -0.11 -0.14 -0.18 0.00 0.10 0.00 0.00 66.02 65.68 2dk8 s SER 65 CO 0.27 -0.54 1.09 -0.46 0.98 0.00 0.00 173.24 174.59 2dk8 n ASN 66 N -0.71 0.47 -2.05 7.02 6.94 -1.26 -4.10 115.26 121.57 2dk8 n ASN 66 Ca -0.03 1.14 0.00 0.00 -0.02 0.00 0.00 54.58 55.67 2dk8 n ASN 66 Cb 0.66 -1.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.05 2dk8 n ASN 66 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2dk8 n THR 67 N 1.59-11.77 -1.75 5.53 -1.04 -1.26 -4.88 114.28 100.70 2dk8 n THR 67 Ca 0.19 2.76 0.00 0.00 -2.04 0.00 0.00 64.05 64.96 2dk8 n THR 67 Cb 0.15 -5.47 -0.00 0.00 -1.82 0.00 0.00 70.33 63.19 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 1.57 -0.35 3.89 3.41 0.00 -1.26 -4.82 105.19 107.63 2dk8 n GLY 68 Ca 0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 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 3.67 0.27 0.99 1.43 -1.26 -3.68 118.68 120.10 2dk8 s LEU 69 Ca 0.00 -0.45 0.11 0.00 -1.03 0.00 0.00 54.13 52.76 2dk8 s LEU 69 Cb 0.00 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 2dk8 s LEU 69 CO 0.00 -0.42 -0.09 -0.22 0.23 0.00 0.00 176.35 175.85 2dk8 s LEU 70 N -4.07 2.94 -0.13 1.79 0.20 0.29 -4.51 118.68 115.20 2dk8 s LEU 70 Ca 0.43 -0.80 -0.02 0.00 0.69 0.00 0.00 54.13 54.43 2dk8 s LEU 70 Cb -0.07 -1.46 0.04 0.00 -0.43 0.00 0.00 46.19 44.28 2dk8 s LEU 70 CO 0.28 0.02 0.02 -0.31 -0.29 0.00 0.00 176.35 176.07 2dk8 s TYR 71 N -2.40 0.81 0.50 5.38 2.02 0.16 -0.35 117.35 123.47 2dk8 s TYR 71 Ca 0.31 -0.49 0.01 0.00 -0.37 0.00 0.00 57.07 56.53 2dk8 s TYR 71 Cb -0.06 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.60 2dk8 s TYR 71 CO 0.18 -0.47 0.04 -0.98 -1.57 0.00 0.00 175.55 172.75 2dk8 s ARG 72 N 1.93 2.17 -0.01 -0.62 1.70 0.58 0.19 118.95 124.89 2dk8 s ARG 72 Ca 0.02 -2.40 -0.30 0.00 -0.47 0.00 0.00 55.73 52.58 2dk8 s ARG 72 Cb -0.15 -1.26 -0.05 0.00 -0.57 0.00 0.00 34.95 32.92 2dk8 s ARG 72 CO -0.07 -0.45 1.42 0.42 -1.08 0.00 0.00 175.30 175.54 2dk8 s ILE 73 N -2.98 3.71 -0.52 4.99 -1.09 -1.25 0.30 121.20 124.36 2dk8 s ILE 73 Ca 0.06 1.07 -0.27 0.00 -2.23 0.00 0.00 60.65 59.29 2dk8 s ILE 73 Cb 0.00 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2dk8 s ILE 73 CO 0.04 -0.01 2.05 -0.75 -1.23 0.00 0.00 174.94 175.04 2dk8 s LYS 74 N 2.55 2.57 -0.30 2.79 2.36 -1.22 -4.50 119.74 124.00 2dk8 s LYS 74 Ca 0.64 1.05 -0.15 0.00 -2.55 0.00 0.00 55.97 54.96 2dk8 s LYS 74 Cb -0.31 -4.43 0.15 0.00 -1.05 0.00 0.00 37.83 32.19 2dk8 s LYS 74 CO 0.26 -2.77 0.96 -0.51 1.55 0.00 0.00 175.35 174.84 2dk8 s ASP 75 N 9.21 -0.59 0.45 1.43 1.11 -1.26 -4.82 116.67 122.20 2dk8 s ASP 75 Ca 0.80 0.86 0.24 0.00 0.18 0.00 0.00 52.55 54.64 2dk8 s ASP 75 Cb -0.16 1.53 0.99 0.00 1.07 0.00 0.00 42.92 46.34 2dk8 s ASP 75 CO 0.25 -0.13 1.86 0.77 1.18 0.00 0.00 175.17 179.10 2dk8 h SER 76 N 6.99 0.00 -3.82 0.27 4.64 -2.01 -3.49 113.55 116.12 2dk8 h SER 76 Ca -0.21 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.24 2dk8 h SER 76 Cb 1.14 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.17 2dk8 h SER 76 CO 0.13 0.22 -0.79 0.61 -0.87 0.00 0.00 176.83 176.13 2dk8 n GLY 77 N 0.03 -3.42 3.72 -0.77 0.00 -1.26 -4.63 105.19 98.86 2dk8 n GLY 77 Ca -0.00 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 2dk8 n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk8 s PRO 78 N -4.44 4.50 -0.22 1.61 0.04 -1.26 -4.30 135.00 130.94 2dk8 s PRO 78 Ca 0.00 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 2dk8 s PRO 78 Cb 0.00 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.22 2dk8 s PRO 78 CO 0.00 -0.12 0.04 0.43 0.04 0.00 0.00 177.00 177.38 2dk8 n SER 79 N 3.32 -7.54 -4.15 6.66 7.64 -1.26 -4.96 113.62 113.34 2dk8 n SER 79 Ca 0.06 1.05 -0.36 0.00 1.01 0.00 0.00 58.87 60.64 2dk8 n SER 79 Cb 0.47 -4.09 -0.13 0.00 -1.01 0.00 0.00 64.21 59.45 2dk8 n SER 79 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dk8 s SER 80 N -1.47 5.09 0.00 6.43 0.15 -1.26 -5.22 113.70 117.42 2dk8 s SER 80 Ca 0.02 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 54.99 2dk8 s SER 80 Cb -0.00 -1.78 0.00 0.00 -1.71 0.00 0.00 66.02 62.53 2dk8 s SER 80 CO 0.54 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 175.18