#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 5.11 -0.53 1.61 0.15 -1.26 -5.03 113.70 113.75 2dk8 s SER 2 Ca 0.00 -0.58 -0.27 0.00 0.70 0.00 0.00 55.95 55.80 2dk8 s SER 2 Cb 0.00 -0.89 -0.03 0.00 -1.71 0.00 0.00 66.02 63.39 2dk8 s SER 2 CO 0.00 -0.35 1.98 -0.44 1.20 0.00 0.00 173.24 175.63 2dk8 s SER 3 N -3.96 5.19 -0.19 5.45 0.01 -1.26 -4.89 113.70 114.04 2dk8 s SER 3 Ca 0.40 0.70 -0.35 0.00 1.31 0.00 0.00 55.95 58.01 2dk8 s SER 3 Cb -0.05 -2.52 -0.12 0.00 0.21 0.00 0.00 66.02 63.54 2dk8 s SER 3 CO 0.26 -2.38 1.94 0.61 0.41 0.00 0.00 173.24 174.08 2dk8 n GLY 4 N 5.72 1.11 3.12 3.44 0.00 -1.26 -4.94 105.19 112.38 2dk8 n GLY 4 Ca 0.25 0.89 -0.12 0.00 0.00 0.00 0.00 46.02 47.03 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 4.90 -0.29 -0.84 1.61 1.04 -1.26 -5.10 113.70 113.75 2dk8 s SER 5 Ca 0.98 0.56 -0.26 0.00 0.48 0.00 0.00 55.95 57.72 2dk8 s SER 5 Cb -0.79 0.50 0.04 0.00 0.10 0.00 0.00 66.02 65.87 2dk8 s SER 5 CO 0.53 -0.13 1.34 -0.55 0.98 0.00 0.00 173.24 175.41 2dk8 s SER 6 N 0.76 6.28 0.00 7.02 0.15 -1.26 -4.23 113.70 122.42 2dk8 s SER 6 Ca -0.05 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.78 2dk8 s SER 6 Cb -0.06 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2dk8 s SER 6 CO -0.05 -1.72 0.00 0.61 1.20 0.00 0.00 173.24 173.28 2dk8 n GLY 7 N 5.93 -0.14 2.66 9.45 0.00 -1.26 -4.99 105.19 116.84 2dk8 n GLY 7 Ca 0.14 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 2.52 -3.27 1.61 -0.04 -1.26 -4.66 135.00 129.90 2dk8 n PRO 8 Ca 0.00 -1.96 -0.05 0.00 -0.04 0.00 0.00 63.50 61.45 2dk8 n PRO 8 Cb 0.00 -2.81 -0.05 0.00 -0.04 0.00 0.00 33.50 30.60 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 3.40 -0.24 -0.11 3.54 1.01 -1.26 -4.88 116.67 118.14 2dk8 s ASP 9 Ca 0.53 0.11 -0.08 0.00 0.71 0.00 0.00 52.55 53.82 2dk8 s ASP 9 Cb 0.14 1.42 0.03 0.00 1.01 0.00 0.00 42.92 45.52 2dk8 s ASP 9 CO -0.02 -0.31 0.15 0.00 0.21 0.00 0.00 175.17 175.20 2dk8 n ALA 10 N 5.38 -2.86 -0.97 5.23 0.00 -1.26 -4.86 120.51 121.16 2dk8 n ALA 10 Ca -0.00 1.59 -0.36 0.00 0.00 0.00 0.00 53.44 54.67 2dk8 n ALA 10 Cb 0.50 -3.33 0.05 0.00 0.00 0.00 0.00 19.45 16.68 2dk8 n ALA 10 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2dk8 n ASP 11 N 1.87 -5.22 0.09 0.00 9.92 -1.26 -4.79 116.55 117.16 2dk8 n ASP 11 Ca -0.26 0.17 -0.05 0.00 -0.53 0.00 0.00 54.79 54.12 2dk8 n ASP 11 Cb 0.40 -0.78 -0.02 0.00 -0.64 0.00 0.00 41.12 40.08 2dk8 n ASP 11 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2dk8 h PRO 12 N -1.08 -0.30 -0.85 -0.24 0.13 -1.93 -3.06 132.00 124.67 2dk8 h PRO 12 Ca -0.44 0.02 0.11 0.00 -0.87 0.00 0.00 66.00 64.83 2dk8 h PRO 12 Cb 1.31 0.07 -0.13 0.00 0.13 0.00 0.00 31.00 32.38 2dk8 h PRO 12 CO 0.24 -0.20 -0.46 -0.24 -0.23 0.00 0.00 178.00 177.11 2dk8 h VAL 13 N -1.00 0.03 -0.59 1.56 3.04 -1.99 0.19 116.25 117.50 2dk8 h VAL 13 Ca -0.03 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.74 2dk8 h VAL 13 Cb 0.24 0.03 -0.10 0.00 -2.01 0.00 0.00 31.29 29.45 2dk8 h VAL 13 CO 0.05 0.00 -0.49 -0.33 -1.01 0.00 0.00 177.57 175.79 2dk8 h GLU 14 N -0.08 -0.24 -0.82 4.17 5.08 -1.93 0.61 114.58 121.37 2dk8 h GLU 14 Ca 0.23 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.80 2dk8 h GLU 14 Cb 0.53 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.72 2dk8 h GLU 14 CO -0.87 -0.16 0.26 0.82 -1.00 0.00 0.00 179.01 178.06 2dk8 h ILE 15 N -0.25 0.48 0.38 3.13 2.04 -0.60 0.12 117.51 122.81 2dk8 h ILE 15 Ca 0.15 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 2dk8 h ILE 15 Cb 0.56 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2dk8 h ILE 15 CO -0.70 0.06 -0.18 -0.33 0.00 0.00 0.00 178.15 177.00 2dk8 h GLU 16 N 0.32 -0.49 -0.93 2.37 5.08 0.16 -2.58 114.58 118.51 2dk8 h GLU 16 Ca 0.48 0.03 0.21 0.00 -1.00 0.00 0.00 59.36 59.09 2dk8 h GLU 16 Cb 0.88 0.11 -0.18 0.00 0.50 0.00 0.00 28.75 30.06 2dk8 h GLU 16 CO -0.53 -0.33 -0.14 0.09 -1.00 0.00 0.00 179.01 177.10 2dk8 n ASN 17 N -3.53 -0.26 -0.18 1.42 3.02 0.16 0.18 115.26 116.08 2dk8 n ASN 17 Ca -0.06 1.60 -0.01 0.00 -0.03 0.00 0.00 54.58 56.07 2dk8 n ASN 17 Cb 0.20 -0.52 0.06 0.00 -0.61 0.00 0.00 39.78 38.91 2dk8 n ASN 17 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 2dk8 h ARG 18 N 0.00 0.05 -0.71 3.52 2.47 -0.69 0.29 114.38 119.31 2dk8 h ARG 18 Ca 0.49 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.20 2dk8 h ARG 18 Cb 0.85 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.13 2dk8 h ARG 18 CO -0.93 0.04 0.41 0.82 0.56 0.00 0.00 179.97 180.87 2dk8 h ILE 19 N 0.06 1.21 0.22 2.04 2.04 0.23 -1.92 117.51 121.39 2dk8 h ILE 19 Ca 0.27 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.64 2dk8 h ILE 19 Cb 0.42 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2dk8 h ILE 19 CO -0.51 0.23 -0.30 0.40 0.00 0.00 0.00 178.15 177.97 2dk8 h ILE 20 N 0.98 0.37 -0.89 -0.67 1.08 0.13 1.02 117.51 119.52 2dk8 h ILE 20 Ca 0.25 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 64.94 2dk8 h ILE 20 Cb 0.00 0.37 -0.06 0.00 -3.07 0.00 0.00 36.82 34.06 2dk8 h ILE 20 CO -0.04 0.00 0.60 -0.33 -0.69 0.00 0.00 178.15 177.69 2dk8 h GLU 21 N -0.58 0.27 0.12 2.37 5.08 -0.27 0.24 114.58 121.81 2dk8 h GLU 21 Ca 0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2dk8 h GLU 21 Cb 0.56 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2dk8 h GLU 21 CO -0.11 0.18 -0.06 -0.07 -1.00 0.00 0.00 179.01 177.95 2dk8 h LEU 22 N 0.28 -0.14 -1.84 1.33 3.38 -0.31 -1.20 115.31 116.81 2dk8 h LEU 22 Ca 0.45 -0.29 0.27 0.00 0.09 0.00 0.00 57.88 58.40 2dk8 h LEU 22 Cb 1.33 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.08 2dk8 h LEU 22 CO -0.13 0.46 0.78 0.00 0.09 0.00 0.00 178.44 179.64 2dk8 h HIS 24 N 0.00 0.90 -0.13 0.00 3.86 -0.53 -3.17 115.15 116.08 2dk8 h HIS 24 Ca 0.44 -0.66 -0.04 0.00 -1.16 0.00 0.00 60.37 58.95 2dk8 h HIS 24 Cb 2.00 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 30.42 2dk8 h HIS 24 CO 0.00 1.54 -0.08 1.96 0.86 0.00 0.00 177.93 182.20 2dk8 h GLN 25 N 0.06 0.19 -4.78 2.45 1.08 0.27 -3.37 115.11 111.01 2dk8 h GLN 25 Ca -0.25 -0.03 -0.67 0.00 -1.45 0.00 0.00 58.65 56.25 2dk8 h GLN 25 Cb 2.09 -0.03 -0.38 0.00 -0.05 0.00 0.00 27.48 29.11 2dk8 h GLN 25 CO 0.25 0.29 -0.75 -0.06 -0.95 0.00 0.00 178.83 177.61 2dk8 s PHE 26 N -4.83 3.46 -0.67 2.96 0.40 0.89 -4.95 117.98 115.24 2dk8 s PHE 26 Ca -0.05 -2.55 0.24 0.00 -0.60 0.00 0.00 56.93 53.97 2dk8 s PHE 26 Cb 0.16 -2.36 0.91 0.00 0.51 0.00 0.00 43.02 42.23 2dk8 s PHE 26 CO 0.72 -0.90 1.74 -0.35 0.70 0.00 0.00 175.22 177.12 2dk8 n PRO 27 N 4.38 0.19 0.01 0.24 -0.04 -1.26 -2.88 135.00 135.64 2dk8 n PRO 27 Ca -0.07 0.29 -0.17 0.00 -0.04 0.00 0.00 63.50 63.51 2dk8 n PRO 27 Cb 0.42 -1.78 -0.14 0.00 -0.04 0.00 0.00 33.50 31.96 2dk8 n PRO 27 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dk8 h HIS 28 N 0.00 0.33 0.00 0.54 3.86 -1.92 -3.44 115.15 114.52 2dk8 h HIS 28 Ca 0.00 -0.24 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 2dk8 h HIS 28 Cb 0.52 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.98 2dk8 h HIS 28 CO 0.00 1.48 0.00 0.41 0.86 0.00 0.00 177.93 180.68 2dk8 n GLY 29 N 1.81 2.30 3.18 2.45 0.00 -1.14 -4.66 105.19 109.13 2dk8 n GLY 29 Ca -0.25 -1.91 -0.15 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.63 0.96 0.02 -0.61 -4.36 0.50 -4.82 121.20 111.26 2dk8 s ILE 30 Ca 0.00 -1.60 0.02 0.00 -0.26 0.00 0.00 60.65 58.81 2dk8 s ILE 30 Cb 0.00 -1.32 -0.04 0.00 1.25 0.00 0.00 42.46 42.35 2dk8 s ILE 30 CO 0.00 -0.52 -0.01 0.42 0.24 0.00 0.00 174.94 175.07 2dk8 s THR 31 N -2.30 4.06 0.56 8.37 -4.23 -1.26 -0.34 115.64 120.50 2dk8 s THR 31 Ca 0.05 -0.71 0.50 0.00 -1.18 0.00 0.00 61.69 60.35 2dk8 s THR 31 Cb -0.04 -2.83 0.73 0.00 1.34 0.00 0.00 72.50 71.70 2dk8 s THR 31 CO 0.00 0.32 1.57 -0.78 -0.54 0.00 0.00 174.62 175.20 2dk8 h ASP 32 N 4.16 0.00 0.29 3.99 3.58 -1.99 1.26 116.42 127.70 2dk8 h ASP 32 Ca -0.49 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.95 2dk8 h ASP 32 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2dk8 h ASP 32 CO 0.57 0.00 -0.14 -0.61 -2.88 0.00 0.00 179.24 176.19 2dk8 h GLN 33 N 0.00 -0.37 -0.05 0.28 4.15 -1.96 -1.74 115.11 115.41 2dk8 h GLN 33 Ca 0.92 0.03 0.01 0.00 0.77 0.00 0.00 58.65 60.38 2dk8 h GLN 33 Cb 3.73 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 31.49 2dk8 h GLN 33 CO -0.01 -0.15 -0.15 0.28 -1.93 0.00 0.00 178.83 176.87 2dk8 h VAL 34 N -0.53 0.00 -0.73 2.39 2.07 0.12 0.69 116.25 120.27 2dk8 h VAL 34 Ca -0.04 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.69 2dk8 h VAL 34 Cb 0.39 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 2dk8 h VAL 34 CO 0.06 0.00 0.83 0.40 0.02 0.00 0.00 177.57 178.88 2dk8 h ILE 35 N -0.15 0.18 0.08 4.57 2.04 -1.56 0.78 117.51 123.46 2dk8 h ILE 35 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 2dk8 h ILE 35 Cb 0.18 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2dk8 h ILE 35 CO -0.13 0.00 -0.04 -0.61 0.00 0.00 0.00 178.15 177.37 2dk8 h GLN 36 N 0.00 -0.10 0.00 2.37 4.15 0.12 1.55 115.11 123.20 2dk8 h GLN 36 Ca 0.35 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.77 2dk8 h GLN 36 Cb 1.99 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.71 2dk8 h GLN 36 CO -0.00 0.39 0.00 -0.91 -1.93 0.00 0.00 178.83 176.37 2dk8 h ASN 37 N -0.64 0.00 0.00 -0.69 2.35 0.29 0.54 115.58 117.43 2dk8 h ASN 37 Ca -0.01 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.56 2dk8 h ASN 37 Cb 0.53 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.87 2dk8 h ASN 37 CO 0.02 0.00 -1.05 -0.33 -1.65 0.00 0.00 177.43 174.41 2dk8 h GLU 38 N 0.00 0.00 -2.08 0.81 4.39 0.35 -3.43 114.58 114.62 2dk8 h GLU 38 Ca 0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 2dk8 h GLU 38 Cb 0.59 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.84 2dk8 h GLU 38 CO 0.00 0.85 -0.90 -1.33 -1.16 0.00 0.00 179.01 176.47 2dk8 n MET 39 N -4.48 1.51 0.00 2.33 2.81 0.53 -4.89 117.12 114.93 2dk8 n MET 39 Ca -0.27 -3.84 0.11 0.00 -1.81 0.00 0.00 57.70 51.89 2dk8 n MET 39 Cb 0.60 -1.67 0.55 0.00 -0.71 0.00 0.00 33.22 31.99 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 1.09 0.26 0.00 0.03 -0.04 0.18 -2.18 135.00 134.34 2dk8 n PRO 40 Ca 0.25 0.08 0.14 0.00 -0.04 0.00 0.00 63.50 63.93 2dk8 n PRO 40 Cb 0.49 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 32.97 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 -1.33 0.00 -1.61 0.54 1.44 -1.26 -4.86 115.22 108.14 2dk8 n HIS 41 Ca 0.10 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.51 2dk8 n HIS 41 Cb 0.20 -0.34 0.10 0.00 0.12 0.00 0.00 29.99 30.06 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 -2.85 2.62 0.38 0.61 -1.09 -0.93 -5.02 121.20 114.93 2dk8 s ILE 42 Ca 0.17 0.20 0.05 0.00 -2.23 0.00 0.00 60.65 58.85 2dk8 s ILE 42 Cb 0.19 -3.00 -0.00 0.00 -1.58 0.00 0.00 42.46 38.07 2dk8 s ILE 42 CO 0.56 -0.26 0.54 -1.61 -1.23 0.00 0.00 174.94 172.94 2dk8 s GLU 43 N -5.26 3.05 0.04 2.79 0.41 -1.26 -4.94 118.70 113.53 2dk8 s GLU 43 Ca 0.62 -0.90 -0.22 0.00 -0.41 0.00 0.00 54.97 54.07 2dk8 s GLU 43 Cb -0.14 -2.74 -0.15 0.00 -1.78 0.00 0.00 34.13 29.33 2dk8 s GLU 43 CO 0.53 -0.08 1.39 0.00 -0.49 0.00 0.00 175.26 176.61 2dk8 h ALA 44 N 0.71 0.17 -0.06 5.21 0.00 -1.99 0.10 119.26 123.41 2dk8 h ALA 44 Ca -0.45 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.08 2dk8 h ALA 44 Cb 1.26 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2dk8 h ALA 44 CO 0.53 -0.04 -0.53 1.96 0.00 0.00 0.00 179.25 181.17 2dk8 h GLN 45 N -0.09 0.17 0.53 0.00 4.20 -1.99 -2.70 115.11 115.23 2dk8 h GLN 45 Ca 0.03 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 2dk8 h GLN 45 Cb 0.52 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.31 2dk8 h GLN 45 CO 0.02 0.66 -0.25 1.96 -0.67 0.00 0.00 178.83 180.54 2dk8 h GLN 46 N 0.13 -0.68 -0.88 1.46 4.20 -1.93 0.36 115.11 117.77 2dk8 h GLN 46 Ca 0.00 0.05 0.21 0.00 0.06 0.00 0.00 58.65 58.97 2dk8 h GLN 46 Cb 0.98 0.16 -0.12 0.00 0.30 0.00 0.00 27.48 28.79 2dk8 h GLN 46 CO 0.08 -0.40 0.36 0.00 -0.67 0.00 0.00 178.83 178.20 2dk8 h ARG 47 N -1.10 0.37 0.21 1.46 3.08 -0.84 0.54 114.38 118.11 2dk8 h ARG 47 Ca -0.07 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 2dk8 h ARG 47 Cb 0.60 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2dk8 h ARG 47 CO 0.12 0.25 -0.10 0.00 -1.07 0.00 0.00 179.97 179.16 2dk8 h ALA 48 N 1.70 -0.28 -0.23 0.04 0.00 -1.45 -2.18 119.26 116.85 2dk8 h ALA 48 Ca 0.54 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.27 2dk8 h ALA 48 Cb 1.01 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2dk8 h ALA 48 CO -0.53 -0.43 -0.17 0.28 0.00 0.00 0.00 179.25 178.40 2dk8 h VAL 49 N -0.73 0.00 -0.75 0.00 2.07 0.13 1.57 116.25 118.53 2dk8 h VAL 49 Ca -0.03 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.66 2dk8 h VAL 49 Cb 0.50 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.13 2dk8 h VAL 49 CO 0.05 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.57 2dk8 h ALA 50 N -0.70 0.68 0.45 1.67 0.00 -1.05 0.60 119.26 120.91 2dk8 h ALA 50 Ca 0.04 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2dk8 h ALA 50 Cb 0.14 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2dk8 h ALA 50 CO -0.24 -0.42 -0.37 0.82 0.00 0.00 0.00 179.25 179.03 2dk8 h ILE 51 N 0.06 0.00 -0.57 0.00 2.04 0.18 0.17 117.51 119.39 2dk8 h ILE 51 Ca 0.39 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.35 2dk8 h ILE 51 Cb 0.67 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.63 2dk8 h ILE 51 CO -0.70 0.00 -0.33 -1.13 0.00 0.00 0.00 178.15 175.99 2dk8 h ASN 52 N -0.80 -1.14 -0.13 1.72 -0.73 0.35 1.06 115.58 115.92 2dk8 h ASN 52 Ca -0.06 0.22 0.03 0.00 1.87 0.00 0.00 56.30 58.36 2dk8 h ASN 52 Cb 0.68 0.56 -0.06 0.00 0.27 0.00 0.00 38.32 39.77 2dk8 h ASN 52 CO -0.00 -0.30 -0.49 0.03 -0.37 0.00 0.00 177.43 176.29 2dk8 h ARG 53 N -0.17 -0.50 -0.37 6.67 3.08 0.44 0.15 114.38 123.68 2dk8 h ARG 53 Ca 0.23 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.38 2dk8 h ARG 53 Cb 0.55 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.65 2dk8 h ARG 53 CO -0.66 -0.33 0.01 -0.07 -1.07 0.00 0.00 179.97 177.85 2dk8 h LEU 54 N -0.52 -0.12 -0.78 3.04 3.38 0.57 1.34 115.31 122.22 2dk8 h LEU 54 Ca 0.03 0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.26 2dk8 h LEU 54 Cb 0.61 0.14 -0.14 0.00 0.09 0.00 0.00 40.66 41.36 2dk8 h LEU 54 CO -0.39 -0.03 -0.01 -0.07 0.09 0.00 0.00 178.44 178.03 2dk8 h LEU 55 N 0.12 -0.38 0.18 1.67 3.38 0.23 0.42 115.31 120.92 2dk8 h LEU 55 Ca 0.18 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 2dk8 h LEU 55 Cb 0.25 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2dk8 h LEU 55 CO -0.29 -0.20 -0.09 -1.28 0.09 0.00 0.00 178.44 176.67 2dk8 h SER 56 N 0.09 -0.20 -1.08 -0.43 0.87 0.77 -3.28 113.55 110.29 2dk8 h SER 56 Ca 0.43 -0.08 0.41 0.00 -1.23 0.00 0.00 61.79 61.32 2dk8 h SER 56 Cb 0.76 0.05 -0.15 0.00 -0.44 0.00 0.00 62.40 62.62 2dk8 h SER 56 CO -0.70 0.30 0.64 0.23 -0.53 0.00 0.00 176.83 176.77 2dk8 n MET 57 N -4.93 -0.04 -0.03 2.24 2.81 0.45 -4.73 117.12 112.89 2dk8 n MET 57 Ca -0.04 1.21 0.00 0.00 -1.81 0.00 0.00 57.70 57.06 2dk8 n MET 57 Cb 0.14 -2.26 0.00 0.00 -0.71 0.00 0.00 33.22 30.38 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 -1.35 0.98 0.08 3.03 0.00 0.14 -4.98 105.19 103.10 2dk8 n GLY 58 Ca 0.36 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.03 0.66 -4.29 1.61 1.13 -0.82 -4.74 117.38 108.90 2dk8 n GLN 59 Ca 0.00 0.05 -0.30 0.00 -1.94 0.00 0.00 57.00 54.81 2dk8 n GLN 59 Cb 0.00 -1.61 -0.10 0.00 0.11 0.00 0.00 30.24 28.64 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 -5.48 3.03 -0.18 1.08 2.96 -1.15 -2.89 118.68 116.06 2dk8 s LEU 60 Ca -0.08 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.49 2dk8 s LEU 60 Cb 0.08 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.97 2dk8 s LEU 60 CO 0.84 0.20 -0.18 -1.81 -1.32 0.00 0.00 176.35 174.07 2dk8 s ASP 61 N -2.05 3.29 -0.18 3.68 1.01 0.14 -4.29 116.67 118.27 2dk8 s ASP 61 Ca 0.20 -0.60 -0.22 0.00 0.71 0.00 0.00 52.55 52.64 2dk8 s ASP 61 Cb -0.11 -1.51 -0.02 0.00 1.01 0.00 0.00 42.92 42.29 2dk8 s ASP 61 CO 0.12 0.02 0.67 -0.22 0.21 0.00 0.00 175.17 175.97 2dk8 s LEU 62 N 1.21 4.17 -0.28 1.23 0.20 -1.26 -0.25 118.68 123.70 2dk8 s LEU 62 Ca 0.03 0.94 0.01 0.00 0.69 0.00 0.00 54.13 55.80 2dk8 s LEU 62 Cb -0.14 -2.98 0.08 0.00 -0.43 0.00 0.00 46.19 42.72 2dk8 s LEU 62 CO -0.09 -0.28 -0.00 -0.22 -0.29 0.00 0.00 176.35 175.47 2dk8 s LEU 63 N 1.81 3.13 -0.26 -0.68 0.20 0.25 -4.95 118.68 118.18 2dk8 s LEU 63 Ca 0.32 -1.53 -0.29 0.00 0.69 0.00 0.00 54.13 53.32 2dk8 s LEU 63 Cb -0.16 -1.26 0.00 0.00 -0.43 0.00 0.00 46.19 44.34 2dk8 s LEU 63 CO 0.11 -0.30 1.23 -0.13 -0.29 0.00 0.00 176.35 176.97 2dk8 s ARG 64 N 1.29 4.06 0.38 1.98 0.52 -1.26 0.18 118.95 126.09 2dk8 s ARG 64 Ca 0.01 1.34 0.04 0.00 -0.52 0.00 0.00 55.73 56.60 2dk8 s ARG 64 Cb -0.19 -3.80 -0.03 0.00 0.52 0.00 0.00 34.95 31.45 2dk8 s ARG 64 CO -0.10 -0.92 0.15 0.45 0.02 0.00 0.00 175.30 174.89 2dk8 s SER 65 N 2.23 2.45 1.00 0.23 0.15 -1.04 -4.92 113.70 113.80 2dk8 s SER 65 Ca 0.53 -1.65 -0.16 0.00 0.70 0.00 0.00 55.95 55.37 2dk8 s SER 65 Cb -0.17 0.46 0.01 0.00 -1.71 0.00 0.00 66.02 64.61 2dk8 s SER 65 CO 0.18 -0.92 0.00 0.59 1.20 0.00 0.00 173.24 174.29 2dk8 n ASN 66 N -1.24 -2.85 0.00 5.45 4.13 -1.26 -3.10 115.26 116.39 2dk8 n ASN 66 Ca -0.03 0.18 0.00 0.00 1.68 0.00 0.00 54.58 56.41 2dk8 n ASN 66 Cb 0.65 -1.04 0.00 0.00 -1.54 0.00 0.00 39.78 37.85 2dk8 n ASN 66 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2dk8 n THR 67 N -3.60 0.00 -3.69 3.41 -1.04 -1.26 -4.64 114.28 103.45 2dk8 n THR 67 Ca 0.03 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.99 2dk8 n THR 67 Cb 0.57 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.07 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 0.00 2.66 3.89 3.41 0.00 -1.18 -5.17 105.19 108.80 2dk8 n GLY 68 Ca 0.00 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 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 2.91 0.16 0.99 1.43 -1.26 -2.50 118.68 120.42 2dk8 s LEU 69 Ca 0.10 1.09 0.05 0.00 -1.03 0.00 0.00 54.13 54.35 2dk8 s LEU 69 Cb -0.00 -3.89 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 2dk8 s LEU 69 CO 0.07 -1.33 -0.11 -0.22 0.23 0.00 0.00 176.35 174.98 2dk8 s LEU 70 N -5.34 2.53 -0.09 1.79 0.20 0.47 -4.58 118.68 113.67 2dk8 s LEU 70 Ca 0.58 -1.01 -0.01 0.00 0.69 0.00 0.00 54.13 54.38 2dk8 s LEU 70 Cb -0.11 -0.43 0.03 0.00 -0.43 0.00 0.00 46.19 45.25 2dk8 s LEU 70 CO 0.51 -0.28 -0.01 -0.31 -0.29 0.00 0.00 176.35 175.97 2dk8 s TYR 71 N -3.19 0.84 0.42 5.38 2.02 0.54 0.87 117.35 124.22 2dk8 s TYR 71 Ca 0.18 -0.33 0.04 0.00 -0.37 0.00 0.00 57.07 56.59 2dk8 s TYR 71 Cb 0.01 -0.89 -0.04 0.00 -0.40 0.00 0.00 41.96 40.64 2dk8 s TYR 71 CO 0.02 -0.39 0.06 -0.98 -1.57 0.00 0.00 175.55 172.69 2dk8 s ARG 72 N 1.92 1.94 -0.03 -0.62 1.70 0.65 0.19 118.95 124.69 2dk8 s ARG 72 Ca 0.04 -2.17 -0.30 0.00 -0.47 0.00 0.00 55.73 52.84 2dk8 s ARG 72 Cb -0.13 -1.09 -0.05 0.00 -0.57 0.00 0.00 34.95 33.12 2dk8 s ARG 72 CO -0.06 -0.31 1.37 0.42 -1.08 0.00 0.00 175.30 175.64 2dk8 s ILE 73 N -3.06 3.86 0.09 4.99 -1.09 -1.20 0.28 121.20 125.07 2dk8 s ILE 73 Ca 0.23 1.20 -0.31 0.00 -2.23 0.00 0.00 60.65 59.55 2dk8 s ILE 73 Cb 0.05 -3.77 -0.10 0.00 -1.58 0.00 0.00 42.46 37.06 2dk8 s ILE 73 CO 0.12 -0.02 1.90 1.17 -1.23 0.00 0.00 174.94 176.88 2dk8 n LYS 74 N 5.64 2.85 -3.15 2.79 4.81 -1.14 -4.71 118.16 125.26 2dk8 n LYS 74 Ca 0.13 1.04 0.05 0.00 -0.87 0.00 0.00 58.31 58.67 2dk8 n LYS 74 Cb 0.44 -2.97 -0.01 0.00 0.02 0.00 0.00 35.03 32.52 2dk8 n LYS 74 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2dk8 s ASP 75 N 3.50 -0.60 -0.76 3.14 -1.08 -1.26 -4.97 116.67 114.65 2dk8 s ASP 75 Ca 0.85 0.16 -0.08 0.00 -0.52 0.00 0.00 52.55 52.96 2dk8 s ASP 75 Cb -0.45 1.42 0.20 0.00 -1.46 0.00 0.00 42.92 42.62 2dk8 s ASP 75 CO 0.39 -0.11 0.64 -0.94 0.52 0.00 0.00 175.17 175.67 2dk8 s SER 76 N 2.94 6.05 -0.13 -0.34 1.04 -1.26 -5.00 113.70 117.00 2dk8 s SER 76 Ca 0.17 -2.88 -0.31 0.00 0.48 0.00 0.00 55.95 53.41 2dk8 s SER 76 Cb -0.06 -2.03 0.13 0.00 0.10 0.00 0.00 66.02 64.16 2dk8 s SER 76 CO -0.20 -0.44 1.04 -0.83 0.98 0.00 0.00 173.24 173.79 2dk8 s GLY 77 N 1.30 -0.30 -1.16 7.32 0.00 -1.26 -5.05 107.32 108.16 2dk8 s GLY 77 Ca 0.19 1.69 -0.13 0.00 0.00 0.00 0.00 44.72 46.47 2dk8 s GLY 77 CO -0.07 0.72 2.28 -1.55 0.00 0.00 0.00 173.10 174.49 2dk8 n PRO 78 N 0.24 2.48 -3.71 2.90 -0.04 -1.26 -4.75 135.00 130.86 2dk8 n PRO 78 Ca -0.07 -1.98 -0.29 0.00 -0.04 0.00 0.00 63.50 61.12 2dk8 n PRO 78 Cb 0.59 -2.84 -0.15 0.00 -0.04 0.00 0.00 33.50 31.06 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 3.48 3.65 0.26 3.54 0.01 -1.26 -4.94 113.70 118.44 2dk8 s SER 79 Ca 0.53 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 56.44 2dk8 s SER 79 Cb 0.14 -0.73 0.00 0.00 0.21 0.00 0.00 66.02 65.64 2dk8 s SER 79 CO -0.01 -0.38 0.00 -1.54 0.41 0.00 0.00 173.24 171.71 2dk8 n SER 80 N 4.95 -0.10 0.00 2.44 3.41 -1.26 -5.12 113.62 117.94 2dk8 n SER 80 Ca -0.05 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2dk8 n SER 80 Cb 0.43 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 2dk8 n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49