#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk8 n SER 2 N 0.00 0.29 -3.77 1.61 3.41 -1.26 -4.95 113.62 108.95 2dk8 n SER 2 Ca 0.00 1.15 -0.29 0.00 -0.26 0.00 0.00 58.87 59.47 2dk8 n SER 2 Cb 0.00 -1.07 -0.16 0.00 -0.26 0.00 0.00 64.21 62.72 2dk8 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dk8 s SER 3 N -0.31 3.50 0.38 4.04 0.01 -1.26 -5.09 113.70 114.98 2dk8 s SER 3 Ca 0.74 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2dk8 s SER 3 Cb -0.97 -0.79 0.00 0.00 0.21 0.00 0.00 66.02 64.47 2dk8 s SER 3 CO 0.55 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 174.47 2dk8 n GLY 4 N 4.91 -2.06 3.76 3.44 0.00 -1.26 -4.74 105.19 109.24 2dk8 n GLY 4 Ca -0.07 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.71 2dk8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk8 s SER 5 N -6.34 5.89 -0.06 1.61 0.15 -1.26 -4.97 113.70 108.72 2dk8 s SER 5 Ca 0.00 2.59 -0.10 0.00 0.70 0.00 0.00 55.95 59.15 2dk8 s SER 5 Cb 0.00 -2.63 -0.05 0.00 -1.71 0.00 0.00 66.02 61.63 2dk8 s SER 5 CO 0.00 -1.13 0.39 -1.28 1.20 0.00 0.00 173.24 172.42 2dk8 h SER 6 N 2.05 -0.29 -4.88 5.45 0.87 -2.02 -3.51 113.55 111.23 2dk8 h SER 6 Ca -0.50 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2dk8 h SER 6 Cb 1.27 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2dk8 h SER 6 CO 0.60 0.17 0.00 0.61 -0.53 0.00 0.00 176.83 177.68 2dk8 n GLY 7 N 0.92 1.54 2.99 5.77 0.00 -1.26 -4.88 105.19 110.28 2dk8 n GLY 7 Ca -0.04 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.34 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 -1.12 2.17 -3.69 1.61 -0.04 -1.26 -4.78 135.00 127.90 2dk8 n PRO 8 Ca 0.00 -2.28 -0.29 0.00 -0.04 0.00 0.00 63.50 60.89 2dk8 n PRO 8 Cb 0.00 -3.15 -0.15 0.00 -0.04 0.00 0.00 33.50 30.16 2dk8 n PRO 8 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2dk8 s ASP 9 N 4.27 3.78 -0.13 3.54 1.47 -1.26 -4.98 116.67 123.36 2dk8 s ASP 9 Ca 0.53 -1.45 -0.09 0.00 1.18 0.00 0.00 52.55 52.72 2dk8 s ASP 9 Cb 0.13 -0.71 0.03 0.00 -0.34 0.00 0.00 42.92 42.03 2dk8 s ASP 9 CO 0.03 -0.41 0.18 0.00 0.68 0.00 0.00 175.17 175.65 2dk8 n ALA 10 N 4.97 -2.87 -1.02 2.11 0.00 -1.26 -4.84 120.51 117.61 2dk8 n ALA 10 Ca -0.04 1.71 -0.36 0.00 0.00 0.00 0.00 53.44 54.75 2dk8 n ALA 10 Cb 0.43 -3.50 0.04 0.00 0.00 0.00 0.00 19.45 16.42 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 1.99 -5.53 0.09 0.00 2.03 -1.26 -4.79 116.55 109.08 2dk8 n ASP 11 Ca -0.30 0.24 -0.05 0.00 0.52 0.00 0.00 54.79 55.21 2dk8 n ASP 11 Cb 0.46 -0.80 -0.02 0.00 -0.72 0.00 0.00 41.12 40.04 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 -0.93 -0.29 -1.00 -0.67 0.13 -1.97 -2.99 132.00 124.28 2dk8 h PRO 12 Ca -0.44 0.02 0.17 0.00 -0.87 0.00 0.00 66.00 64.88 2dk8 h PRO 12 Cb 1.31 0.07 -0.17 0.00 0.13 0.00 0.00 31.00 32.34 2dk8 h PRO 12 CO 0.26 -0.19 -0.35 -0.24 -0.23 0.00 0.00 178.00 177.25 2dk8 h VAL 13 N -0.95 0.00 -0.17 1.56 3.04 -1.98 0.48 116.25 118.22 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 0.23 0.00 -0.07 0.00 -2.01 0.00 0.00 31.29 29.44 2dk8 h VAL 13 CO 0.05 0.00 -0.40 -0.33 -1.01 0.00 0.00 177.57 175.88 2dk8 h GLU 14 N -0.00 -0.44 -0.23 4.17 4.39 -1.93 0.94 114.58 121.48 2dk8 h GLU 14 Ca 0.39 0.03 0.06 0.00 0.34 0.00 0.00 59.36 60.18 2dk8 h GLU 14 Cb 0.64 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.32 2dk8 h GLU 14 CO -1.00 -0.29 -0.28 0.82 -1.16 0.00 0.00 179.01 177.10 2dk8 h ILE 15 N -0.45 0.33 0.38 3.13 2.04 -0.05 0.24 117.51 123.13 2dk8 h ILE 15 Ca 0.09 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 2dk8 h ILE 15 Cb 0.61 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2dk8 h ILE 15 CO -0.42 0.00 -0.45 -0.33 0.00 0.00 0.00 178.15 176.96 2dk8 h GLU 16 N -0.30 -0.83 -0.78 2.37 5.08 0.28 -1.81 114.58 118.59 2dk8 h GLU 16 Ca 0.13 0.06 0.17 0.00 -1.00 0.00 0.00 59.36 58.72 2dk8 h GLU 16 Cb 0.50 0.19 -0.14 0.00 0.50 0.00 0.00 28.75 29.80 2dk8 h GLU 16 CO -0.40 -0.55 -0.06 -0.91 -1.00 0.00 0.00 179.01 176.09 2dk8 h ASN 17 N -0.86 -0.49 -0.61 1.42 2.35 0.14 0.54 115.58 118.07 2dk8 h ASN 17 Ca -0.03 0.22 0.12 0.00 -0.55 0.00 0.00 56.30 56.06 2dk8 h ASN 17 Cb 0.78 0.40 -0.10 0.00 0.05 0.00 0.00 38.32 39.46 2dk8 h ASN 17 CO -0.10 -0.22 0.08 -0.09 -1.65 0.00 0.00 177.43 175.44 2dk8 h ARG 18 N 0.06 0.19 -0.90 0.81 1.12 0.19 0.29 114.38 116.14 2dk8 h ARG 18 Ca 0.41 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 59.27 2dk8 h ARG 18 Cb 0.71 -0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.58 2dk8 h ARG 18 CO -0.73 0.13 0.56 0.82 -3.11 0.00 0.00 179.97 177.63 2dk8 h ILE 19 N 0.20 1.24 0.35 1.20 2.04 0.79 -1.97 117.51 121.36 2dk8 h ILE 19 Ca 0.33 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 2dk8 h ILE 19 Cb 0.51 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2dk8 h ILE 19 CO -0.46 0.25 -0.24 0.40 0.00 0.00 0.00 178.15 178.10 2dk8 h ILE 20 N 1.24 0.51 -0.94 -0.67 1.08 0.13 0.59 117.51 119.44 2dk8 h ILE 20 Ca 0.33 0.00 0.22 0.00 -0.39 0.00 0.00 64.86 65.01 2dk8 h ILE 20 Cb -0.08 0.51 -0.07 0.00 -3.07 0.00 0.00 36.82 34.11 2dk8 h ILE 20 CO -0.06 0.00 0.62 -0.33 -0.69 0.00 0.00 178.15 177.68 2dk8 h GLU 21 N -0.57 0.40 0.20 2.37 5.08 -0.51 0.68 114.58 122.23 2dk8 h GLU 21 Ca -0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2dk8 h GLU 21 Cb 0.48 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2dk8 h GLU 21 CO 0.02 0.27 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.13 2dk8 h LEU 22 N 0.41 -0.22 -1.80 1.33 3.38 -0.56 -1.97 115.31 115.89 2dk8 h LEU 22 Ca 0.50 -0.27 0.31 0.00 0.09 0.00 0.00 57.88 58.52 2dk8 h LEU 22 Cb 1.24 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 2dk8 h LEU 22 CO -0.20 0.31 0.91 0.00 0.09 0.00 0.00 178.44 179.55 2dk8 h HIS 24 N 0.00 0.63 -0.65 0.00 3.86 -0.80 -3.27 115.15 114.92 2dk8 h HIS 24 Ca 0.52 -0.38 -0.05 0.00 -1.16 0.00 0.00 60.37 59.30 2dk8 h HIS 24 Cb 2.34 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 30.72 2dk8 h HIS 24 CO 0.00 1.22 0.23 1.96 0.86 0.00 0.00 177.93 182.20 2dk8 h GLN 25 N -0.14 0.98 -4.60 2.45 1.08 0.27 -3.37 115.11 111.77 2dk8 h GLN 25 Ca -0.10 -0.18 -0.69 0.00 -1.45 0.00 0.00 58.65 56.23 2dk8 h GLN 25 Cb 1.46 -0.16 -0.34 0.00 -0.05 0.00 0.00 27.48 28.39 2dk8 h GLN 25 CO 0.14 0.83 -0.61 -0.06 -0.95 0.00 0.00 178.83 178.17 2dk8 s PHE 26 N -5.38 3.48 0.04 2.96 0.40 0.12 -4.94 117.98 114.66 2dk8 s PHE 26 Ca -0.11 -2.23 0.19 0.00 -0.60 0.00 0.00 56.93 54.18 2dk8 s PHE 26 Cb 0.16 -2.79 0.51 0.00 0.51 0.00 0.00 43.02 41.40 2dk8 s PHE 26 CO 0.81 -0.90 1.65 -1.00 0.70 0.00 0.00 175.22 176.48 2dk8 h PRO 27 N 8.01 0.00 -0.07 0.24 0.13 -1.74 -3.06 132.00 135.51 2dk8 h PRO 27 Ca -0.16 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.79 2dk8 h PRO 27 Cb 1.05 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 2dk8 h PRO 27 CO 0.63 0.39 -0.76 0.45 -0.23 0.00 0.00 178.00 178.48 2dk8 h HIS 28 N 0.00 0.55 0.00 1.56 3.86 -1.92 -3.42 115.15 115.79 2dk8 h HIS 28 Ca -0.00 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 2dk8 h HIS 28 Cb 1.05 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.43 2dk8 h HIS 28 CO 0.00 1.02 0.00 0.41 0.86 0.00 0.00 177.93 180.22 2dk8 n GLY 29 N 0.61 2.09 2.88 2.45 0.00 -1.16 -4.71 105.19 107.35 2dk8 n GLY 29 Ca -0.05 -1.91 -0.17 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.51 0.33 0.16 -0.61 -4.36 0.51 -4.81 121.20 110.91 2dk8 s ILE 30 Ca 0.00 -0.07 -0.12 0.00 -0.26 0.00 0.00 60.65 60.21 2dk8 s ILE 30 Cb 0.00 -0.35 -0.07 0.00 1.25 0.00 0.00 42.46 43.29 2dk8 s ILE 30 CO 0.00 0.15 0.52 0.42 0.24 0.00 0.00 174.94 176.26 2dk8 s THR 31 N 0.57 4.93 0.34 8.37 -4.23 -1.26 -1.55 115.64 122.80 2dk8 s THR 31 Ca -0.06 0.61 0.12 0.00 -1.18 0.00 0.00 61.69 61.18 2dk8 s THR 31 Cb -0.09 -3.67 0.36 0.00 1.34 0.00 0.00 72.50 70.43 2dk8 s THR 31 CO -0.01 0.13 1.60 -0.78 -0.54 0.00 0.00 174.62 175.03 2dk8 h ASP 32 N 3.21 0.09 -0.62 3.99 1.82 -2.00 1.37 116.42 124.28 2dk8 h ASP 32 Ca -0.48 0.24 0.10 0.00 -0.39 0.00 0.00 57.03 56.50 2dk8 h ASP 32 Cb 1.18 0.30 -0.08 0.00 0.68 0.00 0.00 39.33 41.42 2dk8 h ASP 32 CO 0.67 -0.32 0.22 1.56 -1.61 0.00 0.00 179.24 179.76 2dk8 h GLN 33 N 0.09 0.37 0.27 0.28 1.08 -1.95 0.19 115.11 115.45 2dk8 h GLN 33 Ca 0.71 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.89 2dk8 h GLN 33 Cb 1.69 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 29.02 2dk8 h GLN 33 CO -0.76 0.25 -0.31 0.28 -0.95 0.00 0.00 178.83 177.34 2dk8 h VAL 34 N 0.38 0.00 -1.04 -0.54 2.07 0.15 0.46 116.25 117.73 2dk8 h VAL 34 Ca 0.32 0.00 0.30 0.00 0.82 0.00 0.00 66.70 68.14 2dk8 h VAL 34 Cb 0.42 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 2dk8 h VAL 34 CO -0.33 0.00 0.82 0.40 0.02 0.00 0.00 177.57 178.48 2dk8 h ILE 35 N -0.59 0.36 0.01 4.57 2.04 -1.13 0.55 117.51 123.33 2dk8 h ILE 35 Ca -0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2dk8 h ILE 35 Cb 0.52 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2dk8 h ILE 35 CO -0.06 0.00 -0.00 -0.61 0.00 0.00 0.00 178.15 177.48 2dk8 h GLN 36 N 0.00 -0.01 0.00 2.37 4.15 0.11 1.45 115.11 123.18 2dk8 h GLN 36 Ca 0.49 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.85 2dk8 h GLN 36 Cb 2.13 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.81 2dk8 h GLN 36 CO -0.01 0.28 -0.30 -0.97 -1.93 0.00 0.00 178.83 175.90 2dk8 h ASN 37 N -0.30 0.00 0.57 -0.69 -0.73 0.15 0.79 115.58 115.37 2dk8 h ASN 37 Ca -0.00 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 57.88 2dk8 h ASN 37 Cb 0.30 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.89 2dk8 h ASN 37 CO 0.00 0.30 -1.34 -0.33 -0.37 0.00 0.00 177.43 175.69 2dk8 h GLU 38 N 0.00 0.27 -1.26 6.67 4.39 -0.11 -3.41 114.58 121.14 2dk8 h GLU 38 Ca -0.00 -0.46 -0.43 0.00 0.34 0.00 0.00 59.36 58.81 2dk8 h GLU 38 Cb 0.77 0.17 -0.29 0.00 -0.10 0.00 0.00 28.75 29.30 2dk8 h GLU 38 CO 0.04 1.19 -0.86 -1.33 -1.16 0.00 0.00 179.01 176.89 2dk8 n MET 39 N -3.51 0.71 0.00 2.33 2.81 0.49 -4.94 117.12 115.01 2dk8 n MET 39 Ca -0.11 -2.64 0.12 0.00 -1.81 0.00 0.00 57.70 53.26 2dk8 n MET 39 Cb 1.03 -1.33 0.69 0.00 -0.71 0.00 0.00 33.22 32.90 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 1.60 0.75 0.02 0.03 -0.04 0.27 -2.27 135.00 135.36 2dk8 n PRO 40 Ca 0.17 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.63 2dk8 n PRO 40 Cb 0.57 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.99 0.83 -0.68 0.54 1.44 -1.26 -4.93 115.22 110.16 2dk8 n HIS 41 Ca 0.17 0.28 -0.31 0.00 -2.01 0.00 0.00 57.72 55.85 2dk8 n HIS 41 Cb 0.08 -1.04 0.17 0.00 0.12 0.00 0.00 29.99 29.32 2dk8 n HIS 41 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 2dk8 n ILE 42 N -2.83 0.00 -3.14 0.61 2.08 -0.96 -5.00 119.36 110.11 2dk8 n ILE 42 Ca -0.11 -0.11 -0.24 0.00 0.56 0.00 0.00 62.75 62.84 2dk8 n ILE 42 Cb 0.85 -0.89 -0.00 0.00 -0.75 0.00 0.00 39.64 38.85 2dk8 n ILE 42 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2dk8 s GLU 43 N -4.31 3.40 0.08 0.38 2.02 -1.26 -4.91 118.70 114.10 2dk8 s GLU 43 Ca 0.64 -0.26 -0.24 0.00 0.02 0.00 0.00 54.97 55.13 2dk8 s GLU 43 Cb -0.22 -2.58 -0.16 0.00 0.10 0.00 0.00 34.13 31.27 2dk8 s GLU 43 CO 0.62 -0.02 1.68 0.00 0.02 0.00 0.00 175.26 177.56 2dk8 h ALA 44 N 0.56 -0.09 -0.46 5.21 0.00 -1.98 0.62 119.26 123.13 2dk8 h ALA 44 Ca -0.48 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 2dk8 h ALA 44 Cb 1.22 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2dk8 h ALA 44 CO 0.60 -0.53 -0.12 1.96 0.00 0.00 0.00 179.25 181.16 2dk8 h GLN 45 N -0.14 0.89 -0.55 0.00 4.20 -1.98 -1.73 115.11 115.80 2dk8 h GLN 45 Ca -0.01 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 2dk8 h GLN 45 Cb 0.11 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2dk8 h GLN 45 CO 0.02 1.00 0.32 1.96 -0.67 0.00 0.00 178.83 181.45 2dk8 h GLN 46 N 0.73 0.75 -0.16 1.46 1.08 -1.90 1.02 115.11 118.10 2dk8 h GLN 46 Ca 0.11 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2dk8 h GLN 46 Cb 0.67 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 2dk8 h GLN 46 CO 0.05 0.56 0.09 0.00 -0.95 0.00 0.00 178.83 178.59 2dk8 h ARG 47 N 0.74 0.22 0.35 1.46 3.08 0.39 -1.33 114.38 119.28 2dk8 h ARG 47 Ca 0.20 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 2dk8 h ARG 47 Cb 0.02 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2dk8 h ARG 47 CO -0.03 0.20 -0.17 0.00 -1.07 0.00 0.00 179.97 178.90 2dk8 h ALA 48 N 1.01 -0.47 -0.20 0.04 0.00 -1.03 -1.99 119.26 116.63 2dk8 h ALA 48 Ca 0.06 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2dk8 h ALA 48 Cb 0.04 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2dk8 h ALA 48 CO -0.01 -0.61 -0.12 0.28 0.00 0.00 0.00 179.25 178.79 2dk8 h VAL 49 N -0.79 0.00 -0.77 0.00 2.07 0.12 1.63 116.25 118.51 2dk8 h VAL 49 Ca -0.05 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.64 2dk8 h VAL 49 Cb 0.52 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.15 2dk8 h VAL 49 CO 0.08 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.61 2dk8 h ALA 50 N -0.72 0.72 0.47 1.67 0.00 -1.31 1.00 119.26 121.09 2dk8 h ALA 50 Ca 0.03 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2dk8 h ALA 50 Cb 0.09 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2dk8 h ALA 50 CO -0.19 -0.43 -0.38 0.82 0.00 0.00 0.00 179.25 179.07 2dk8 h ILE 51 N 0.06 0.00 -0.70 0.00 2.04 0.61 0.31 117.51 119.84 2dk8 h ILE 51 Ca 0.41 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.42 2dk8 h ILE 51 Cb 0.70 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.67 2dk8 h ILE 51 CO -0.72 0.00 0.10 -1.13 0.00 0.00 0.00 178.15 176.40 2dk8 h ASN 52 N -0.82 -0.13 0.28 1.72 -0.73 0.37 0.54 115.58 116.80 2dk8 h ASN 52 Ca -0.06 0.16 0.00 0.00 1.87 0.00 0.00 56.30 58.27 2dk8 h ASN 52 Cb 0.69 0.24 -0.03 0.00 0.27 0.00 0.00 38.32 39.49 2dk8 h ASN 52 CO 0.00 -0.08 -0.44 0.03 -0.37 0.00 0.00 177.43 176.56 2dk8 h ARG 53 N 0.19 -0.76 -0.88 6.67 -0.00 0.15 0.34 114.38 120.09 2dk8 h ARG 53 Ca 0.39 0.05 0.10 0.00 -0.50 0.00 0.00 59.98 60.01 2dk8 h ARG 53 Cb 0.65 0.17 -0.07 0.00 0.00 0.00 0.00 29.97 30.72 2dk8 h ARG 53 CO -0.54 -0.51 0.52 -0.07 0.00 0.00 0.00 179.97 179.38 2dk8 h LEU 54 N -0.79 0.77 -0.08 3.04 3.38 0.94 1.34 115.31 123.90 2dk8 h LEU 54 Ca -0.02 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2dk8 h LEU 54 Cb 0.75 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2dk8 h LEU 54 CO -0.16 0.43 -0.10 -0.07 0.09 0.00 0.00 178.44 178.64 2dk8 h LEU 55 N 0.87 -0.31 0.46 1.67 3.38 0.98 -0.57 115.31 121.80 2dk8 h LEU 55 Ca 0.42 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.43 2dk8 h LEU 55 Cb 0.37 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2dk8 h LEU 55 CO -0.24 -0.14 -0.22 -1.28 0.09 0.00 0.00 178.44 176.65 2dk8 h SER 56 N -0.13 -0.52 -0.88 -0.43 0.87 0.86 -3.15 113.55 110.16 2dk8 h SER 56 Ca 0.07 -0.07 0.34 0.00 -1.23 0.00 0.00 61.79 60.90 2dk8 h SER 56 Cb 0.23 0.14 -0.16 0.00 -0.44 0.00 0.00 62.40 62.16 2dk8 h SER 56 CO -0.16 -0.11 0.36 0.23 -0.53 0.00 0.00 176.83 176.62 2dk8 n MET 57 N -5.21 -0.06 0.00 2.24 2.81 0.45 -4.74 117.12 112.62 2dk8 n MET 57 Ca -0.09 1.24 0.00 0.00 -1.81 0.00 0.00 57.70 57.04 2dk8 n MET 57 Cb 0.29 -2.16 0.00 0.00 -0.71 0.00 0.00 33.22 30.64 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 1.17 0.12 3.03 0.00 -0.32 -4.99 105.19 102.91 2dk8 n GLY 58 Ca 0.30 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.63 0.68 -4.17 1.61 6.02 -0.60 -4.74 117.38 114.55 2dk8 n GLN 59 Ca 0.00 0.16 -0.32 0.00 -0.01 0.00 0.00 57.00 56.83 2dk8 n GLN 59 Cb 0.00 -1.60 -0.08 0.00 1.02 0.00 0.00 30.24 29.58 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 -6.29 3.68 -0.13 1.08 2.96 -0.77 -2.08 118.68 117.12 2dk8 s LEU 60 Ca -0.21 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 2dk8 s LEU 60 Cb 0.08 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 44.57 2dk8 s LEU 60 CO 0.73 0.25 -0.21 -0.62 -1.32 0.00 0.00 176.35 175.17 2dk8 s ASP 61 N -1.85 3.18 0.17 3.68 -1.08 0.13 -4.16 116.67 116.74 2dk8 s ASP 61 Ca 0.23 -0.58 -0.20 0.00 -0.52 0.00 0.00 52.55 51.49 2dk8 s ASP 61 Cb -0.12 -1.46 -0.08 0.00 -1.46 0.00 0.00 42.92 39.81 2dk8 s ASP 61 CO 0.14 0.10 0.67 -0.22 0.52 0.00 0.00 175.17 176.38 2dk8 s LEU 62 N 0.72 4.42 -0.23 -1.34 0.20 -1.26 -0.33 118.68 120.87 2dk8 s LEU 62 Ca -0.09 1.37 -0.04 0.00 0.69 0.00 0.00 54.13 56.06 2dk8 s LEU 62 Cb -0.16 -3.35 0.09 0.00 -0.43 0.00 0.00 46.19 42.34 2dk8 s LEU 62 CO 0.00 0.12 0.14 -0.76 -0.29 0.00 0.00 176.35 175.57 2dk8 s LEU 63 N -1.66 0.28 -0.55 -0.68 1.43 0.33 -4.95 118.68 112.88 2dk8 s LEU 63 Ca 0.38 -0.79 -0.28 0.00 -1.03 0.00 0.00 54.13 52.41 2dk8 s LEU 63 Cb -0.18 -0.10 0.03 0.00 0.03 0.00 0.00 46.19 45.96 2dk8 s LEU 63 CO 0.21 -0.38 1.24 -0.60 0.23 0.00 0.00 176.35 177.05 2dk8 s ARG 64 N 2.18 3.51 -0.09 1.70 3.52 -1.26 0.76 118.95 129.27 2dk8 s ARG 64 Ca 0.06 0.38 -0.04 0.00 -0.13 0.00 0.00 55.73 56.00 2dk8 s ARG 64 Cb -0.16 -4.02 0.05 0.00 -1.56 0.00 0.00 34.95 29.26 2dk8 s ARG 64 CO -0.21 -1.68 0.20 -1.12 -0.81 0.00 0.00 175.30 171.68 2dk8 s SER 65 N 3.23 0.06 0.65 -2.12 0.01 -1.25 -4.98 113.70 109.30 2dk8 s SER 65 Ca 0.47 0.43 0.00 0.00 1.31 0.00 0.00 55.95 58.15 2dk8 s SER 65 Cb -0.08 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2dk8 s SER 65 CO 0.27 -0.19 0.00 -3.20 0.41 0.00 0.00 173.24 170.53 2dk8 n ASN 66 N 4.59 -2.67 -4.68 2.44 2.85 -1.26 -4.52 115.26 112.01 2dk8 n ASN 66 Ca -0.19 0.00 -0.45 0.00 -0.11 0.00 0.00 54.58 53.83 2dk8 n ASN 66 Cb 0.51 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.50 2dk8 n ASN 66 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2dk8 n THR 67 N -0.48 0.15 -0.32 -0.44 -2.24 -1.26 -4.66 114.28 105.04 2dk8 n THR 67 Ca 0.00 -0.03 0.04 0.00 -2.27 0.00 0.00 64.05 61.80 2dk8 n THR 67 Cb 0.00 -1.75 -0.01 0.00 -2.10 0.00 0.00 70.33 66.47 2dk8 n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dk8 n GLY 68 N 3.78 -1.75 3.86 3.38 0.00 -1.26 -4.97 105.19 108.23 2dk8 n GLY 68 Ca 0.18 -1.43 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 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 -4.31 3.63 0.17 0.99 1.43 -1.26 -3.81 118.68 115.52 2dk8 s LEU 69 Ca 0.00 -0.47 0.11 0.00 -1.03 0.00 0.00 54.13 52.74 2dk8 s LEU 69 Cb 0.00 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 2dk8 s LEU 69 CO 0.00 -0.36 -0.25 -0.22 0.23 0.00 0.00 176.35 175.75 2dk8 s LEU 70 N -4.01 2.39 -0.08 1.79 0.20 0.23 -4.37 118.68 114.83 2dk8 s LEU 70 Ca 0.41 -0.82 -0.01 0.00 0.69 0.00 0.00 54.13 54.40 2dk8 s LEU 70 Cb -0.06 -1.17 0.03 0.00 -0.43 0.00 0.00 46.19 44.56 2dk8 s LEU 70 CO 0.27 0.13 -0.04 -0.31 -0.29 0.00 0.00 176.35 176.12 2dk8 s TYR 71 N -1.47 1.01 0.39 5.38 2.02 -0.60 0.12 117.35 124.21 2dk8 s TYR 71 Ca 0.18 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.51 2dk8 s TYR 71 Cb -0.09 -0.96 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 2dk8 s TYR 71 CO 0.08 -0.38 0.09 -0.98 -1.57 0.00 0.00 175.55 172.79 2dk8 s ARG 72 N 1.73 1.85 0.06 -0.62 1.70 0.55 0.19 118.95 124.41 2dk8 s ARG 72 Ca 0.03 -2.10 -0.31 0.00 -0.47 0.00 0.00 55.73 52.88 2dk8 s ARG 72 Cb -0.13 -0.79 -0.07 0.00 -0.57 0.00 0.00 34.95 33.40 2dk8 s ARG 72 CO -0.06 -0.36 1.35 0.42 -1.08 0.00 0.00 175.30 175.58 2dk8 s ILE 73 N -3.21 3.60 0.41 4.99 -1.09 -1.24 0.22 121.20 124.88 2dk8 s ILE 73 Ca 0.27 1.10 -0.26 0.00 -2.23 0.00 0.00 60.65 59.53 2dk8 s ILE 73 Cb 0.05 -3.71 -0.09 0.00 -1.58 0.00 0.00 42.46 37.13 2dk8 s ILE 73 CO 0.14 0.06 1.35 -0.75 -1.23 0.00 0.00 174.94 174.50 2dk8 s LYS 74 N 1.54 3.93 -0.03 2.79 2.20 -0.88 -4.71 119.74 124.58 2dk8 s LYS 74 Ca 0.63 2.27 -0.31 0.00 -0.36 0.00 0.00 55.97 58.20 2dk8 s LYS 74 Cb -0.33 -2.77 0.12 0.00 -1.51 0.00 0.00 37.83 33.34 2dk8 s LYS 74 CO 0.29 -0.56 1.28 0.16 -0.36 0.00 0.00 175.35 176.16 2dk8 s ASP 75 N -0.61 -0.06 -0.02 1.43 1.47 -1.26 -5.00 116.67 112.61 2dk8 s ASP 75 Ca 0.57 -0.12 0.01 0.00 1.18 0.00 0.00 52.55 54.19 2dk8 s ASP 75 Cb -0.40 0.16 0.01 0.00 -0.34 0.00 0.00 42.92 42.35 2dk8 s ASP 75 CO 0.52 -0.29 -0.05 -0.44 0.68 0.00 0.00 175.17 175.59 2dk8 s SER 76 N -2.92 0.75 0.72 2.11 0.01 -1.26 -5.14 113.70 107.98 2dk8 s SER 76 Ca 0.14 -0.11 -0.15 0.00 1.31 0.00 0.00 55.95 57.14 2dk8 s SER 76 Cb 0.04 -0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.08 2dk8 s SER 76 CO -0.04 0.01 1.22 -0.83 0.41 0.00 0.00 173.24 174.01 2dk8 s GLY 77 N 0.38 2.40 0.58 3.44 0.00 -1.26 -4.99 107.32 107.88 2dk8 s GLY 77 Ca -0.04 0.92 -0.16 0.00 0.00 0.00 0.00 44.72 45.44 2dk8 s GLY 77 CO -0.00 1.33 1.05 2.56 0.00 0.00 0.00 173.10 178.04 2dk8 s PRO 78 N -3.86 3.40 0.75 2.90 0.04 -1.26 -5.03 135.00 131.94 2dk8 s PRO 78 Ca 0.75 1.17 -0.11 0.00 0.04 0.00 0.00 61.00 62.86 2dk8 s PRO 78 Cb -0.30 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.23 2dk8 s PRO 78 CO 0.45 -0.74 1.08 -1.54 0.04 0.00 0.00 177.00 176.28 2dk8 s SER 79 N -2.82 4.85 0.03 6.66 1.04 -1.26 -4.97 113.70 117.22 2dk8 s SER 79 Ca 0.63 1.68 -0.02 0.00 0.48 0.00 0.00 55.95 58.72 2dk8 s SER 79 Cb -0.15 -2.46 -0.27 0.00 0.10 0.00 0.00 66.02 63.23 2dk8 s SER 79 CO 0.36 -1.79 0.96 0.77 0.98 0.00 0.00 173.24 174.52 2dk8 h SER 80 N -0.96 0.36 0.00 7.02 4.64 -2.07 -3.57 113.55 118.97 2dk8 h SER 80 Ca -0.44 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.42 2dk8 h SER 80 Cb 1.23 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2dk8 h SER 80 CO 0.54 1.37 0.00 0.61 -0.87 0.00 0.00 176.83 178.49