#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 7.06 0.61 1.61 0.01 -1.26 -4.84 113.70 116.90 2dk8 s SER 2 Ca 0.00 1.93 0.00 0.00 1.31 0.00 0.00 55.95 59.19 2dk8 s SER 2 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2dk8 s SER 2 CO 0.00 -0.27 0.00 -1.54 0.41 0.00 0.00 173.24 171.84 2dk8 n SER 3 N 0.23 -7.66 0.00 2.44 3.41 -1.26 -5.06 113.62 105.73 2dk8 n SER 3 Ca 0.03 1.46 0.00 0.00 -0.26 0.00 0.00 58.87 60.11 2dk8 n SER 3 Cb 0.50 -4.85 0.00 0.00 -0.26 0.00 0.00 64.21 59.60 2dk8 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dk8 n GLY 4 N -4.13 2.87 3.81 5.00 0.00 -1.26 -5.17 105.19 106.30 2dk8 n GLY 4 Ca -0.09 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 1.00 4.36 0.00 1.61 1.04 -1.26 -5.04 113.70 115.41 2dk8 s SER 5 Ca 0.00 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.03 2dk8 s SER 5 Cb 0.00 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2dk8 s SER 5 CO 0.00 -0.88 0.00 -1.54 0.98 0.00 0.00 173.24 171.80 2dk8 n SER 6 N -1.44 0.00 0.00 7.02 3.41 -1.26 -5.10 113.62 116.26 2dk8 n SER 6 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2dk8 n SER 6 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 2dk8 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dk8 n GLY 7 N 0.00 0.68 0.16 5.00 0.00 -1.26 -5.06 105.19 104.70 2dk8 n GLY 7 Ca 0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 2dk8 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk8 h PRO 8 N 0.00 0.49 -0.01 1.61 0.13 -2.01 -3.46 132.00 128.76 2dk8 h PRO 8 Ca 0.00 -0.48 0.31 0.00 -0.87 0.00 0.00 66.00 64.95 2dk8 h PRO 8 Cb 0.00 0.13 -0.22 0.00 0.13 0.00 0.00 31.00 31.04 2dk8 h PRO 8 CO 0.00 1.12 0.35 0.34 -0.23 0.00 0.00 178.00 179.58 2dk8 s ASP 9 N -6.81 -0.01 -0.21 1.44 2.15 -1.26 -5.08 116.67 106.89 2dk8 s ASP 9 Ca -0.13 0.00 -0.09 0.00 0.43 0.00 0.00 52.55 52.77 2dk8 s ASP 9 Cb 0.05 1.01 0.03 0.00 -0.30 0.00 0.00 42.92 43.71 2dk8 s ASP 9 CO 0.84 -0.00 0.17 0.00 -0.17 0.00 0.00 175.17 176.01 2dk8 n ALA 10 N 5.43 -3.54 -0.95 3.66 0.00 -1.26 -4.89 120.51 118.96 2dk8 n ALA 10 Ca -0.10 1.81 -0.36 0.00 0.00 0.00 0.00 53.44 54.80 2dk8 n ALA 10 Cb 0.55 -3.57 0.06 0.00 0.00 0.00 0.00 19.45 16.49 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 1.47 -4.71 0.09 0.00 2.03 -1.26 -4.78 116.55 109.39 2dk8 n ASP 11 Ca -0.29 0.17 -0.05 0.00 0.52 0.00 0.00 54.79 55.14 2dk8 n ASP 11 Cb 0.46 -0.82 -0.02 0.00 -0.72 0.00 0.00 41.12 40.02 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 -1.16 -0.30 -0.99 -0.67 0.13 -2.00 -2.95 132.00 124.07 2dk8 h PRO 12 Ca -0.44 0.02 0.16 0.00 -0.87 0.00 0.00 66.00 64.87 2dk8 h PRO 12 Cb 1.31 0.07 -0.16 0.00 0.13 0.00 0.00 31.00 32.35 2dk8 h PRO 12 CO 0.26 -0.20 -0.37 -0.24 -0.23 0.00 0.00 178.00 177.22 2dk8 h VAL 13 N -0.97 0.01 -0.01 1.56 3.04 -1.99 0.16 116.25 118.04 2dk8 h VAL 13 Ca -0.03 0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.68 2dk8 h VAL 13 Cb 0.23 0.01 -0.05 0.00 -2.01 0.00 0.00 31.29 29.47 2dk8 h VAL 13 CO 0.05 0.00 -0.44 -0.33 -1.01 0.00 0.00 177.57 175.84 2dk8 h GLU 14 N -0.00 -0.53 -0.83 4.17 4.39 -1.93 0.12 114.58 119.96 2dk8 h GLU 14 Ca 0.36 0.04 0.10 0.00 0.34 0.00 0.00 59.36 60.20 2dk8 h GLU 14 Cb 0.61 0.12 -0.12 0.00 -0.10 0.00 0.00 28.75 29.26 2dk8 h GLU 14 CO -0.99 -0.35 -0.50 0.82 -1.16 0.00 0.00 179.01 176.84 2dk8 h ILE 15 N -0.55 0.02 -0.07 3.13 2.04 -0.57 0.11 117.51 121.62 2dk8 h ILE 15 Ca 0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.89 2dk8 h ILE 15 Cb 0.59 0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 2dk8 h ILE 15 CO -0.30 0.00 -0.40 -0.33 0.00 0.00 0.00 178.15 177.11 2dk8 h GLU 16 N -0.10 -0.44 -0.95 2.37 5.08 -0.36 -1.98 114.58 118.21 2dk8 h GLU 16 Ca 0.20 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.69 2dk8 h GLU 16 Cb 0.52 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 29.74 2dk8 h GLU 16 CO -0.85 -0.29 -0.55 -0.91 -1.00 0.00 0.00 179.01 175.41 2dk8 h ASN 17 N -0.45 -2.01 -0.93 1.42 2.35 0.85 0.66 115.58 117.46 2dk8 h ASN 17 Ca 0.02 0.32 0.19 0.00 -0.55 0.00 0.00 56.30 56.28 2dk8 h ASN 17 Cb 0.51 0.91 -0.18 0.00 0.05 0.00 0.00 38.32 39.61 2dk8 h ASN 17 CO -0.31 -0.25 -0.20 -1.14 -1.65 0.00 0.00 177.43 173.87 2dk8 n ARG 18 N -5.30 -0.08 -0.08 0.81 0.00 0.21 0.18 116.66 112.40 2dk8 n ARG 18 Ca 0.03 1.45 -0.09 0.00 -0.00 0.00 0.00 57.85 59.24 2dk8 n ARG 18 Cb 0.29 -2.18 -0.02 0.00 0.00 0.00 0.00 32.46 30.55 2dk8 n ARG 18 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2dk8 h ILE 19 N 0.00 1.07 -0.51 5.15 2.04 0.78 -1.45 117.51 124.59 2dk8 h ILE 19 Ca 0.46 -0.13 0.10 0.00 1.00 0.00 0.00 64.86 66.29 2dk8 h ILE 19 Cb 0.74 0.65 -0.08 0.00 -0.74 0.00 0.00 36.82 37.38 2dk8 h ILE 19 CO -0.95 0.07 -0.01 0.40 0.00 0.00 0.00 178.15 177.66 2dk8 h ILE 20 N 0.39 0.59 -0.44 -0.67 1.08 0.33 1.45 117.51 120.25 2dk8 h ILE 20 Ca 0.11 -0.04 0.03 0.00 -0.39 0.00 0.00 64.86 64.57 2dk8 h ILE 20 Cb -0.04 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 2dk8 h ILE 20 CO -0.03 0.02 0.29 -0.33 -0.69 0.00 0.00 178.15 177.41 2dk8 h GLU 21 N 0.11 0.46 0.11 2.37 5.08 -0.18 0.86 114.58 123.38 2dk8 h GLU 21 Ca 0.26 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2dk8 h GLU 21 Cb 0.39 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2dk8 h GLU 21 CO -0.43 0.30 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.76 2dk8 h LEU 22 N 0.47 -0.13 -1.92 1.33 3.38 0.70 -1.64 115.31 117.50 2dk8 h LEU 22 Ca 0.18 -0.25 0.31 0.00 0.09 0.00 0.00 57.88 58.20 2dk8 h LEU 22 Cb 0.12 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2dk8 h LEU 22 CO -0.04 0.46 0.82 0.00 0.09 0.00 0.00 178.44 179.76 2dk8 h HIS 24 N 0.00 0.76 -0.61 0.00 3.86 -0.82 -3.24 115.15 115.11 2dk8 h HIS 24 Ca 0.50 -0.47 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 2dk8 h HIS 24 Cb 2.14 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 30.51 2dk8 h HIS 24 CO 0.00 1.32 0.23 1.96 0.86 0.00 0.00 177.93 182.30 2dk8 h GLN 25 N -0.00 0.89 -4.61 2.45 1.08 0.22 -3.37 115.11 111.76 2dk8 h GLN 25 Ca -0.13 -0.15 -0.69 0.00 -1.45 0.00 0.00 58.65 56.23 2dk8 h GLN 25 Cb 1.62 -0.15 -0.34 0.00 -0.05 0.00 0.00 27.48 28.55 2dk8 h GLN 25 CO 0.17 0.74 -0.62 -0.06 -0.95 0.00 0.00 178.83 178.11 2dk8 s PHE 26 N -5.39 3.49 -1.47 2.96 0.40 0.11 -4.93 117.98 113.16 2dk8 s PHE 26 Ca -0.10 -2.27 0.23 0.00 -0.60 0.00 0.00 56.93 54.19 2dk8 s PHE 26 Cb 0.16 -2.77 1.17 0.00 0.51 0.00 0.00 43.02 42.08 2dk8 s PHE 26 CO 0.80 -0.90 1.74 -0.35 0.70 0.00 0.00 175.22 177.21 2dk8 n PRO 27 N 4.57 0.35 -0.08 0.24 -0.04 -1.26 -2.93 135.00 135.85 2dk8 n PRO 27 Ca -0.06 0.07 -0.20 0.00 -0.04 0.00 0.00 63.50 63.27 2dk8 n PRO 27 Cb 0.42 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.26 2dk8 n PRO 27 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2dk8 n HIS 28 N -1.27 0.48 0.00 0.54 8.25 -1.26 -4.78 115.22 117.18 2dk8 n HIS 28 Ca 0.11 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 2dk8 n HIS 28 Cb 0.17 -1.06 0.00 0.00 1.12 0.00 0.00 29.99 30.22 2dk8 n HIS 28 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dk8 n GLY 29 N 2.04 2.96 3.08 -1.41 0.00 -1.15 -4.62 105.19 106.10 2dk8 n GLY 29 Ca -0.41 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.92 0.85 0.18 -0.61 -4.36 0.19 -4.84 121.20 110.69 2dk8 s ILE 30 Ca 0.00 -0.77 -0.07 0.00 -0.26 0.00 0.00 60.65 59.55 2dk8 s ILE 30 Cb 0.00 -0.77 -0.06 0.00 1.25 0.00 0.00 42.46 42.88 2dk8 s ILE 30 CO 0.00 0.01 0.46 0.42 0.24 0.00 0.00 174.94 176.07 2dk8 s THR 31 N -0.69 5.05 0.35 8.37 -4.23 -1.26 -1.19 115.64 122.03 2dk8 s THR 31 Ca 0.00 0.26 0.16 0.00 -1.18 0.00 0.00 61.69 60.94 2dk8 s THR 31 Cb -0.06 -3.62 0.35 0.00 1.34 0.00 0.00 72.50 70.50 2dk8 s THR 31 CO 0.00 -0.01 1.61 -0.78 -0.54 0.00 0.00 174.62 174.90 2dk8 h ASP 32 N 2.70 0.29 -0.42 3.99 1.82 -1.98 1.41 116.42 124.23 2dk8 h ASP 32 Ca -0.46 0.24 0.03 0.00 -0.39 0.00 0.00 57.03 56.44 2dk8 h ASP 32 Cb 1.17 0.25 -0.03 0.00 0.68 0.00 0.00 39.33 41.39 2dk8 h ASP 32 CO 0.71 -0.33 0.21 -0.61 -1.61 0.00 0.00 179.24 177.61 2dk8 h GLN 33 N 0.11 0.42 0.00 0.28 5.75 -1.95 -0.99 115.11 118.73 2dk8 h GLN 33 Ca 0.78 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 59.25 2dk8 h GLN 33 Cb 1.92 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 30.38 2dk8 h GLN 33 CO -0.73 0.28 0.00 0.28 -2.65 0.00 0.00 178.83 176.01 2dk8 n VAL 34 N -4.91 0.00 -0.57 2.39 0.31 0.48 0.03 118.33 116.06 2dk8 n VAL 34 Ca 0.02 1.49 0.47 0.00 -0.01 0.00 0.00 64.34 66.31 2dk8 n VAL 34 Cb 0.10 -2.37 0.78 0.00 -0.91 0.00 0.00 33.84 31.44 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 0.11 0.15 2.52 2.04 -1.37 1.02 117.51 121.97 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 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 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 0.25 1.55 115.11 123.23 2dk8 h GLN 36 Ca 0.80 0.01 0.00 0.00 0.77 0.00 0.00 58.65 60.24 2dk8 h GLN 36 Cb 3.31 0.04 0.00 0.00 0.21 0.00 0.00 27.48 31.05 2dk8 h GLN 36 CO -0.01 0.25 0.00 -0.91 -1.93 0.00 0.00 178.83 176.24 2dk8 h ASN 37 N -0.77 0.00 0.00 -0.69 2.35 0.48 0.46 115.58 117.41 2dk8 h ASN 37 Ca -0.02 0.00 -0.17 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 0.03 0.00 -1.23 -0.62 -1.65 0.00 0.00 177.43 173.96 2dk8 n GLU 38 N -2.72 0.53 -3.27 0.81 -0.58 0.83 -4.73 120.64 111.50 2dk8 n GLU 38 Ca -0.01 0.45 -0.25 0.00 -0.42 0.00 0.00 57.16 56.93 2dk8 n GLU 38 Cb 0.12 -1.64 -0.07 0.00 -0.57 0.00 0.00 31.44 29.28 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 -4.46 1.79 0.16 3.49 2.81 0.53 -4.87 117.12 116.57 2dk8 n MET 39 Ca -0.26 -4.04 0.13 0.00 -1.81 0.00 0.00 57.70 51.72 2dk8 n MET 39 Cb 0.57 -1.82 0.45 0.00 -0.71 0.00 0.00 33.22 31.71 2dk8 n MET 39 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2dk8 h PRO 40 N 3.91 0.00 0.00 0.03 0.13 -0.19 -2.71 132.00 133.17 2dk8 h PRO 40 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2dk8 h PRO 40 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2dk8 h PRO 40 CO 0.67 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.05 2dk8 n HIS 41 N -2.55 0.00 -1.52 1.56 1.44 -1.26 -4.75 115.22 108.14 2dk8 n HIS 41 Ca 0.03 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.44 2dk8 n HIS 41 Cb 0.36 -0.48 0.09 0.00 0.12 0.00 0.00 29.99 30.07 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 -2.97 3.19 0.37 0.61 -1.09 -1.02 -5.01 121.20 115.28 2dk8 s ILE 42 Ca 0.08 0.39 0.01 0.00 -2.23 0.00 0.00 60.65 58.90 2dk8 s ILE 42 Cb 0.10 -3.10 -0.02 0.00 -1.58 0.00 0.00 42.46 37.86 2dk8 s ILE 42 CO 0.29 -0.51 0.57 -1.61 -1.23 0.00 0.00 174.94 172.45 2dk8 s GLU 43 N -5.11 3.35 0.06 2.79 0.41 -1.26 -4.91 118.70 114.02 2dk8 s GLU 43 Ca 0.61 -0.44 -0.28 0.00 -0.41 0.00 0.00 54.97 54.44 2dk8 s GLU 43 Cb -0.15 -2.66 -0.17 0.00 -1.78 0.00 0.00 34.13 29.37 2dk8 s GLU 43 CO 0.55 0.05 1.56 0.00 -0.49 0.00 0.00 175.26 176.92 2dk8 h ALA 44 N 0.69 -0.52 0.00 5.21 0.00 -1.96 0.39 119.26 123.07 2dk8 h ALA 44 Ca -0.49 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 2dk8 h ALA 44 Cb 1.23 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2dk8 h ALA 44 CO 0.60 -0.75 -0.31 1.96 0.00 0.00 0.00 179.25 180.75 2dk8 h GLN 45 N -0.61 0.00 0.50 0.00 4.20 -1.99 -2.42 115.11 114.79 2dk8 h GLN 45 Ca -0.05 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2dk8 h GLN 45 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2dk8 h GLN 45 CO 0.09 0.31 -0.24 1.96 -0.67 0.00 0.00 178.83 180.27 2dk8 h GLN 46 N 0.00 -0.65 -0.72 1.46 4.20 -1.85 0.45 115.11 117.99 2dk8 h GLN 46 Ca -0.00 0.04 0.16 0.00 0.06 0.00 0.00 58.65 58.91 2dk8 h GLN 46 Cb 0.54 0.15 -0.11 0.00 0.30 0.00 0.00 27.48 28.36 2dk8 h GLN 46 CO 0.04 -0.35 0.15 0.00 -0.67 0.00 0.00 178.83 178.00 2dk8 h ARG 47 N -1.06 0.24 0.53 1.46 3.08 -0.15 0.15 114.38 118.64 2dk8 h ARG 47 Ca -0.07 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2dk8 h ARG 47 Cb 0.59 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.59 2dk8 h ARG 47 CO 0.11 0.16 -0.26 0.00 -1.07 0.00 0.00 179.97 178.92 2dk8 h ALA 48 N 1.61 -0.71 -0.69 0.04 0.00 -1.43 -1.94 119.26 116.13 2dk8 h ALA 48 Ca 0.40 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.18 2dk8 h ALA 48 Cb 0.69 0.28 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 2dk8 h ALA 48 CO -0.51 -0.73 -0.41 0.28 0.00 0.00 0.00 179.25 177.87 2dk8 h VAL 49 N -1.05 0.00 -0.61 0.00 2.07 0.72 1.13 116.25 118.50 2dk8 h VAL 49 Ca -0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.57 2dk8 h VAL 49 Cb 0.62 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.27 2dk8 h VAL 49 CO 0.12 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.52 2dk8 h ALA 50 N 0.04 0.33 0.35 1.67 0.00 -0.78 0.55 119.26 121.42 2dk8 h ALA 50 Ca 0.11 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2dk8 h ALA 50 Cb 0.29 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2dk8 h ALA 50 CO -0.65 -0.47 -0.38 0.82 0.00 0.00 0.00 179.25 178.57 2dk8 h ILE 51 N -0.04 0.00 -0.76 0.00 2.04 0.85 0.38 117.51 119.98 2dk8 h ILE 51 Ca 0.29 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.31 2dk8 h ILE 51 Cb 0.48 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.42 2dk8 h ILE 51 CO -0.65 0.00 -0.13 -1.13 0.00 0.00 0.00 178.15 176.25 2dk8 h ASN 52 N -0.74 -0.59 0.34 1.72 -0.73 0.21 1.46 115.58 117.24 2dk8 h ASN 52 Ca -0.04 0.22 -0.01 0.00 1.87 0.00 0.00 56.30 58.34 2dk8 h ASN 52 Cb 0.65 0.43 -0.01 0.00 0.27 0.00 0.00 38.32 39.66 2dk8 h ASN 52 CO -0.06 -0.23 -0.31 0.03 -0.37 0.00 0.00 177.43 176.48 2dk8 h ARG 53 N 0.03 -0.61 -0.72 6.67 -0.00 0.67 -0.58 114.38 119.84 2dk8 h ARG 53 Ca 0.39 0.04 0.13 0.00 -0.50 0.00 0.00 59.98 60.04 2dk8 h ARG 53 Cb 0.63 0.14 -0.09 0.00 0.00 0.00 0.00 29.97 30.65 2dk8 h ARG 53 CO -0.75 -0.41 0.27 -0.07 0.00 0.00 0.00 179.97 179.01 2dk8 h LEU 54 N -0.64 0.24 -0.26 3.04 3.38 0.96 0.58 115.31 122.61 2dk8 h LEU 54 Ca -0.04 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.07 2dk8 h LEU 54 Cb 0.54 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 2dk8 h LEU 54 CO -0.02 0.10 -0.44 -0.07 0.09 0.00 0.00 178.44 178.09 2dk8 h LEU 55 N 0.42 -1.46 0.83 1.67 3.38 0.24 0.51 115.31 120.90 2dk8 h LEU 55 Ca 0.39 0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.50 2dk8 h LEU 55 Cb 0.57 0.59 0.01 0.00 0.09 0.00 0.00 40.66 41.91 2dk8 h LEU 55 CO -0.39 -0.34 -0.40 -1.28 0.09 0.00 0.00 178.44 176.12 2dk8 h SER 56 N -0.36 -0.94 -1.82 -0.43 0.87 -0.23 -2.55 113.55 108.08 2dk8 h SER 56 Ca 0.05 0.03 0.53 0.00 -1.23 0.00 0.00 61.79 61.17 2dk8 h SER 56 Cb 0.50 0.24 -0.07 0.00 -0.44 0.00 0.00 62.40 62.63 2dk8 h SER 56 CO -0.44 -0.61 1.37 0.23 -0.53 0.00 0.00 176.83 176.85 2dk8 n MET 57 N -5.31 0.00 -0.88 2.24 2.81 0.19 -4.69 117.12 111.49 2dk8 n MET 57 Ca -0.14 1.05 0.00 0.00 -1.81 0.00 0.00 57.70 56.80 2dk8 n MET 57 Cb 0.44 -2.45 0.00 0.00 -0.71 0.00 0.00 33.22 30.50 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 -1.88 0.99 0.00 3.03 0.00 0.15 -4.96 105.19 102.52 2dk8 n GLY 58 Ca 0.41 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.50 1.16 -4.16 1.61 1.13 0.71 -4.64 117.38 111.70 2dk8 n GLN 59 Ca 0.00 -0.03 -0.17 0.00 -1.94 0.00 0.00 57.00 54.87 2dk8 n GLN 59 Cb 0.18 -1.34 -0.15 0.00 0.11 0.00 0.00 30.24 29.04 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 -3.04 1.80 -0.21 1.08 2.96 -1.01 -3.37 118.68 116.89 2dk8 s LEU 60 Ca 0.05 -0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.81 2dk8 s LEU 60 Cb 0.13 -0.31 -0.02 0.00 0.50 0.00 0.00 46.19 46.49 2dk8 s LEU 60 CO 0.72 0.03 -0.03 -1.81 -1.32 0.00 0.00 176.35 173.94 2dk8 s ASP 61 N 0.18 4.53 0.16 3.68 1.01 0.22 -4.07 116.67 122.37 2dk8 s ASP 61 Ca -0.02 -0.31 -0.16 0.00 0.71 0.00 0.00 52.55 52.77 2dk8 s ASP 61 Cb -0.06 -1.77 -0.07 0.00 1.01 0.00 0.00 42.92 42.03 2dk8 s ASP 61 CO -0.00 0.02 0.59 -0.22 0.21 0.00 0.00 175.17 175.77 2dk8 s LEU 62 N 1.24 4.36 -0.23 1.23 0.20 -1.26 -0.05 118.68 124.16 2dk8 s LEU 62 Ca 0.03 1.18 -0.04 0.00 0.69 0.00 0.00 54.13 55.99 2dk8 s LEU 62 Cb -0.14 -3.30 0.09 0.00 -0.43 0.00 0.00 46.19 42.41 2dk8 s LEU 62 CO -0.00 0.11 0.17 -0.76 -0.29 0.00 0.00 176.35 175.58 2dk8 s LEU 63 N -1.86 0.16 -0.55 -0.68 1.43 -0.45 -4.96 118.68 111.79 2dk8 s LEU 63 Ca 0.38 -0.70 -0.28 0.00 -1.03 0.00 0.00 54.13 52.50 2dk8 s LEU 63 Cb -0.16 0.04 0.03 0.00 0.03 0.00 0.00 46.19 46.13 2dk8 s LEU 63 CO 0.20 -0.37 1.25 -0.13 0.23 0.00 0.00 176.35 177.52 2dk8 s ARG 64 N 2.22 3.51 0.00 1.70 3.00 -1.26 0.00 118.95 128.12 2dk8 s ARG 64 Ca 0.07 0.39 0.00 0.00 0.00 0.00 0.00 55.73 56.19 2dk8 s ARG 64 Cb -0.16 -4.02 0.00 0.00 0.00 0.00 0.00 34.95 30.77 2dk8 s ARG 64 CO -0.21 -1.68 0.00 0.45 0.00 0.00 0.00 175.30 173.86 2dk8 n SER 65 N 8.61 1.57 -4.66 0.23 2.88 -1.25 -4.99 113.62 116.02 2dk8 n SER 65 Ca 0.10 -0.98 -0.54 0.00 -1.33 0.00 0.00 58.87 56.12 2dk8 n SER 65 Cb 0.49 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.88 2dk8 n SER 65 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2dk8 n ASN 66 N -1.40 2.13 0.00 -3.46 4.13 -1.26 -4.39 115.26 111.02 2dk8 n ASN 66 Ca 0.00 1.09 0.00 0.00 1.68 0.00 0.00 54.58 57.35 2dk8 n ASN 66 Cb 0.00 -1.18 0.00 0.00 -1.54 0.00 0.00 39.78 37.06 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 3.68 0.00 -0.26 3.41 -1.04 -1.26 -4.88 114.28 113.93 2dk8 n THR 67 Ca 0.22 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.96 2dk8 n THR 67 Cb 0.17 0.00 0.27 0.00 -1.82 0.00 0.00 70.33 68.94 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 -3.87 3.93 3.41 0.00 -1.26 -5.02 105.19 102.38 2dk8 n GLY 68 Ca 0.00 -1.30 -0.25 0.00 0.00 0.00 0.00 46.02 44.47 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 3.35 0.25 0.99 1.43 -1.26 -3.87 118.68 119.58 2dk8 s LEU 69 Ca 0.62 0.57 0.10 0.00 -1.03 0.00 0.00 54.13 54.38 2dk8 s LEU 69 Cb -0.10 -3.41 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 2dk8 s LEU 69 CO 0.51 -0.96 -0.05 -0.22 0.23 0.00 0.00 176.35 175.86 2dk8 s LEU 70 N -4.86 3.07 -0.25 1.79 0.20 0.10 -4.29 118.68 114.44 2dk8 s LEU 70 Ca 0.52 -0.69 -0.04 0.00 0.69 0.00 0.00 54.13 54.62 2dk8 s LEU 70 Cb -0.10 -1.62 0.09 0.00 -0.43 0.00 0.00 46.19 44.12 2dk8 s LEU 70 CO 0.43 0.02 0.11 -0.31 -0.29 0.00 0.00 176.35 176.31 2dk8 s TYR 71 N -2.24 0.46 0.54 5.38 2.02 -0.33 -1.34 117.35 121.85 2dk8 s TYR 71 Ca 0.30 -0.79 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 2dk8 s TYR 71 Cb -0.07 -0.92 0.02 0.00 -0.40 0.00 0.00 41.96 40.59 2dk8 s TYR 71 CO 0.18 -0.72 0.23 -0.98 -1.57 0.00 0.00 175.55 172.69 2dk8 s ARG 72 N 2.05 2.23 -0.07 -0.62 1.70 0.92 -0.63 118.95 124.53 2dk8 s ARG 72 Ca 0.06 -2.23 -0.30 0.00 -0.47 0.00 0.00 55.73 52.80 2dk8 s ARG 72 Cb -0.16 -1.83 -0.04 0.00 -0.57 0.00 0.00 34.95 32.34 2dk8 s ARG 72 CO -0.26 -0.55 1.42 0.42 -1.08 0.00 0.00 175.30 175.26 2dk8 s ILE 73 N -2.84 3.86 -0.11 4.99 -1.09 -1.22 0.69 121.20 125.48 2dk8 s ILE 73 Ca 0.19 1.14 -0.29 0.00 -2.23 0.00 0.00 60.65 59.45 2dk8 s ILE 73 Cb -0.01 -3.73 -0.06 0.00 -1.58 0.00 0.00 42.46 37.08 2dk8 s ILE 73 CO 0.12 -0.06 1.87 -0.75 -1.23 0.00 0.00 174.94 174.89 2dk8 s LYS 74 N 3.19 3.83 0.16 2.79 2.36 -1.22 -4.31 119.74 126.54 2dk8 s LYS 74 Ca 0.64 2.15 0.00 0.00 -2.55 0.00 0.00 55.97 56.20 2dk8 s LYS 74 Cb -0.29 -4.14 0.00 0.00 -1.05 0.00 0.00 37.83 32.35 2dk8 s LYS 74 CO 0.24 -1.28 0.00 -0.25 1.55 0.00 0.00 175.35 175.61 2dk8 n ASP 75 N 8.61 -8.77 0.00 1.43 9.92 -1.26 -4.83 116.55 121.66 2dk8 n ASP 75 Ca 0.21 1.42 0.00 0.00 -0.53 0.00 0.00 54.79 55.89 2dk8 n ASP 75 Cb 0.43 -4.91 0.00 0.00 -0.64 0.00 0.00 41.12 36.00 2dk8 n ASP 75 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2dk8 n SER 76 N 1.80 0.00 0.00 -2.24 2.88 -1.26 -5.12 113.62 109.68 2dk8 n SER 76 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2dk8 n SER 76 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 3.81 1.10 3.56 0.46 0.00 -1.26 -5.08 105.19 107.78 2dk8 n GLY 77 Ca 0.00 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.00 3.09 -0.30 1.61 0.04 -1.26 -4.79 135.00 131.39 2dk8 s PRO 78 Ca 0.00 -0.73 -0.07 0.00 0.04 0.00 0.00 61.00 60.24 2dk8 s PRO 78 Cb 0.00 -5.22 0.19 0.00 0.04 0.00 0.00 34.50 29.51 2dk8 s PRO 78 CO 0.00 -2.78 0.91 -1.12 0.04 0.00 0.00 177.00 174.05 2dk8 s SER 79 N 6.45 -0.77 -0.07 6.66 0.01 -1.26 -5.17 113.70 119.55 2dk8 s SER 79 Ca 0.58 0.22 -0.29 0.00 1.31 0.00 0.00 55.95 57.77 2dk8 s SER 79 Cb -0.03 1.55 0.10 0.00 0.21 0.00 0.00 66.02 67.85 2dk8 s SER 79 CO -0.05 -0.14 0.87 -0.55 0.41 0.00 0.00 173.24 173.77 2dk8 s SER 80 N 2.92 -0.45 0.00 2.44 0.15 -1.26 -5.20 113.70 112.30 2dk8 s SER 80 Ca 0.15 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.13 2dk8 s SER 80 Cb -0.07 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2dk8 s SER 80 CO -0.20 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.32