#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 4.09 0.07 1.61 0.01 -1.26 -5.09 113.70 113.14 2dk8 s SER 2 Ca 0.00 -2.50 -0.36 0.00 1.31 0.00 0.00 55.95 54.40 2dk8 s SER 2 Cb 0.00 -1.28 -0.19 0.00 0.21 0.00 0.00 66.02 64.76 2dk8 s SER 2 CO 0.00 -0.30 0.98 -1.54 0.41 0.00 0.00 173.24 172.79 2dk8 n SER 3 N 3.75 -0.02 -0.20 2.44 3.41 -1.26 -4.53 113.62 117.22 2dk8 n SER 3 Ca 0.05 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 2dk8 n SER 3 Cb 0.36 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 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 1.74 -2.98 2.56 5.00 0.00 -1.26 -4.93 105.19 105.32 2dk8 n GLY 4 Ca 0.19 -1.23 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 2dk8 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dk8 n SER 5 N -1.56 1.14 -3.56 1.61 7.64 -1.26 -5.03 113.62 112.60 2dk8 n SER 5 Ca 0.00 -2.78 -0.29 0.00 1.01 0.00 0.00 58.87 56.81 2dk8 n SER 5 Cb 0.05 -0.64 -0.15 0.00 -1.01 0.00 0.00 64.21 62.46 2dk8 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dk8 s SER 6 N -0.79 3.56 -0.55 6.43 0.01 -1.26 -4.92 113.70 116.18 2dk8 s SER 6 Ca 0.31 -1.37 -0.01 0.00 1.31 0.00 0.00 55.95 56.19 2dk8 s SER 6 Cb 0.03 -0.41 -0.01 0.00 0.21 0.00 0.00 66.02 65.85 2dk8 s SER 6 CO -0.17 -0.43 0.52 0.61 0.41 0.00 0.00 173.24 174.18 2dk8 n GLY 7 N 5.15 -0.92 0.13 3.44 0.00 -1.26 -4.95 105.19 106.78 2dk8 n GLY 7 Ca -0.05 0.29 -0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 0.20 0.15 -4.00 1.61 0.13 -1.96 -3.49 132.00 124.63 2dk8 h PRO 8 Ca -0.05 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2dk8 h PRO 8 Cb 1.03 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2dk8 h PRO 8 CO 0.23 0.86 -0.80 -0.25 -0.23 0.00 0.00 178.00 177.81 2dk8 n ASP 9 N -3.69 -7.98 0.00 1.44 8.00 -1.26 -4.96 116.55 108.09 2dk8 n ASP 9 Ca -0.03 1.35 0.00 0.00 0.71 0.00 0.00 54.79 56.82 2dk8 n ASP 9 Cb 0.75 -4.40 0.00 0.00 -0.02 0.00 0.00 41.12 37.45 2dk8 n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dk8 n ALA 10 N 1.53 2.01 -1.57 2.24 0.00 -1.26 -5.11 120.51 118.35 2dk8 n ALA 10 Ca 0.00 -0.86 0.05 0.00 0.00 0.00 0.00 53.44 52.62 2dk8 n ALA 10 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.37 -8.33 0.04 0.00 2.03 -1.26 -3.98 116.55 104.68 2dk8 n ASP 11 Ca 0.00 1.78 -0.02 0.00 0.52 0.00 0.00 54.79 57.07 2dk8 n ASP 11 Cb 0.22 -5.14 -0.01 0.00 -0.72 0.00 0.00 41.12 35.47 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 -0.26 -0.14 -1.00 -0.67 0.13 -1.99 -3.07 132.00 125.00 2dk8 h PRO 12 Ca -0.05 0.01 0.12 0.00 -0.87 0.00 0.00 66.00 65.20 2dk8 h PRO 12 Cb 1.08 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.11 2dk8 h PRO 12 CO 0.02 -0.09 -0.50 1.55 -0.23 0.00 0.00 178.00 178.75 2dk8 n VAL 13 N -3.28 -0.61 -0.29 1.56 3.14 -1.26 0.29 118.33 117.88 2dk8 n VAL 13 Ca -0.02 2.37 -0.05 0.00 -2.96 0.00 0.00 64.34 63.69 2dk8 n VAL 13 Cb 0.06 -3.02 0.00 0.00 -1.06 0.00 0.00 33.84 29.82 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 -0.10 -0.23 1.45 4.39 -1.78 0.92 114.58 119.24 2dk8 h GLU 14 Ca 0.24 0.01 0.05 0.00 0.34 0.00 0.00 59.36 60.00 2dk8 h GLU 14 Cb 0.49 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.11 2dk8 h GLU 14 CO -0.96 -0.07 -0.11 0.82 -1.16 0.00 0.00 179.01 177.54 2dk8 h ILE 15 N -0.10 0.65 0.20 3.13 2.04 -0.06 0.05 117.51 123.43 2dk8 h ILE 15 Ca 0.26 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.11 2dk8 h ILE 15 Cb 0.56 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 2dk8 h ILE 15 CO -0.82 0.00 -0.15 -0.33 0.00 0.00 0.00 178.15 176.85 2dk8 h GLU 16 N -0.08 -0.32 -0.94 2.37 5.08 0.20 -1.98 114.58 118.91 2dk8 h GLU 16 Ca 0.12 0.02 0.36 0.00 -1.00 0.00 0.00 59.36 58.86 2dk8 h GLU 16 Cb 0.26 0.07 -0.17 0.00 0.50 0.00 0.00 28.75 29.42 2dk8 h GLU 16 CO -0.28 -0.21 0.38 0.09 -1.00 0.00 0.00 179.01 177.98 2dk8 n ASN 17 N -3.17 0.21 0.05 1.42 3.02 0.28 0.17 115.26 117.25 2dk8 n ASN 17 Ca -0.04 1.56 -0.11 0.00 -0.03 0.00 0.00 54.58 55.97 2dk8 n ASN 17 Cb 0.14 -0.71 -0.04 0.00 -0.61 0.00 0.00 39.78 38.56 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 -0.25 -0.83 3.52 2.47 -0.38 -0.62 114.38 118.29 2dk8 h ARG 18 Ca 0.74 0.02 0.09 0.00 -1.26 0.00 0.00 59.98 59.56 2dk8 h ARG 18 Cb 1.86 0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 30.17 2dk8 h ARG 18 CO -0.76 -0.17 0.48 0.82 0.56 0.00 0.00 179.97 180.90 2dk8 h ILE 19 N -0.26 0.93 0.35 2.04 2.04 0.25 -1.81 117.51 121.05 2dk8 h ILE 19 Ca 0.06 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 2dk8 h ILE 19 Cb 0.34 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 2dk8 h ILE 19 CO -0.17 0.15 -0.44 0.40 0.00 0.00 0.00 178.15 178.09 2dk8 h ILE 20 N 0.82 0.00 -1.23 -0.67 1.08 -0.18 1.56 117.51 118.89 2dk8 h ILE 20 Ca 0.40 0.00 0.35 0.00 -0.39 0.00 0.00 64.86 65.22 2dk8 h ILE 20 Cb 0.34 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.01 2dk8 h ILE 20 CO -0.24 0.00 0.84 -0.33 -0.69 0.00 0.00 178.15 177.74 2dk8 h GLU 21 N -0.81 0.14 0.07 2.37 5.08 -0.63 0.77 114.58 121.56 2dk8 h GLU 21 Ca -0.04 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2dk8 h GLU 21 Cb 0.73 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2dk8 h GLU 21 CO -0.10 0.09 -0.04 -0.07 -1.00 0.00 0.00 179.01 177.89 2dk8 h LEU 22 N 0.14 -0.08 -1.56 1.33 3.38 -0.24 0.22 115.31 118.50 2dk8 h LEU 22 Ca 0.65 -0.18 0.31 0.00 0.09 0.00 0.00 57.88 58.75 2dk8 h LEU 22 Cb 2.21 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 42.89 2dk8 h LEU 22 CO -0.17 0.49 0.74 0.00 0.09 0.00 0.00 178.44 179.59 2dk8 h HIS 24 N 0.24 1.00 -0.22 0.00 3.86 0.42 -3.22 115.15 117.24 2dk8 h HIS 24 Ca 0.61 -0.61 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 2dk8 h HIS 24 Cb 1.84 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 30.21 2dk8 h HIS 24 CO -0.00 1.45 -0.15 1.96 0.86 0.00 0.00 177.93 182.05 2dk8 h GLN 25 N 0.27 0.36 -4.74 2.45 1.08 0.30 -3.38 115.11 111.45 2dk8 h GLN 25 Ca -0.17 -0.10 -0.66 0.00 -1.45 0.00 0.00 58.65 56.27 2dk8 h GLN 25 Cb 1.84 -0.04 -0.38 0.00 -0.05 0.00 0.00 27.48 28.84 2dk8 h GLN 25 CO 0.22 0.51 -0.77 -0.06 -0.95 0.00 0.00 178.83 177.79 2dk8 s PHE 26 N -4.68 3.38 0.13 2.96 0.40 0.35 -4.96 117.98 115.55 2dk8 s PHE 26 Ca -0.06 -2.55 0.14 0.00 -0.60 0.00 0.00 56.93 53.86 2dk8 s PHE 26 Cb 0.15 -2.29 0.33 0.00 0.51 0.00 0.00 43.02 41.72 2dk8 s PHE 26 CO 0.76 -0.90 1.57 -1.00 0.70 0.00 0.00 175.22 176.35 2dk8 h PRO 27 N 7.73 0.00 -0.28 0.24 0.13 -1.75 -3.13 132.00 134.93 2dk8 h PRO 27 Ca -0.13 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.82 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 0.48 0.57 -0.52 0.45 -0.23 0.00 0.00 178.00 178.74 2dk8 h HIS 28 N 0.00 1.02 0.00 1.56 3.86 -1.93 -3.43 115.15 116.24 2dk8 h HIS 28 Ca -0.01 -0.36 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 2dk8 h HIS 28 Cb 1.19 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.46 2dk8 h HIS 28 CO 0.00 1.17 0.00 0.41 0.86 0.00 0.00 177.93 180.37 2dk8 n GLY 29 N 0.30 1.62 2.85 2.45 0.00 -1.18 -4.75 105.19 106.47 2dk8 n GLY 29 Ca -0.04 -1.93 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.28 -0.01 0.10 -0.61 -4.36 0.53 -4.83 121.20 110.74 2dk8 s ILE 30 Ca 0.00 0.05 -0.06 0.00 -0.26 0.00 0.00 60.65 60.38 2dk8 s ILE 30 Cb 0.00 -0.04 -0.05 0.00 1.25 0.00 0.00 42.46 43.62 2dk8 s ILE 30 CO 0.00 0.03 0.36 0.42 0.24 0.00 0.00 174.94 175.99 2dk8 s THR 31 N 0.29 5.18 0.56 8.37 -4.23 -1.26 -1.05 115.64 123.49 2dk8 s THR 31 Ca -0.02 0.14 0.49 0.00 -1.18 0.00 0.00 61.69 61.12 2dk8 s THR 31 Cb -0.04 -3.62 0.72 0.00 1.34 0.00 0.00 72.50 70.91 2dk8 s THR 31 CO -0.01 0.15 1.59 0.44 -0.54 0.00 0.00 174.62 176.26 2dk8 h ASP 32 N 3.22 0.00 0.48 3.99 3.32 -1.99 0.96 116.42 126.40 2dk8 h ASP 32 Ca -0.47 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 2dk8 h ASP 32 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2dk8 h ASP 32 CO 0.70 0.00 -0.23 -0.61 -1.72 0.00 0.00 179.24 177.38 2dk8 h GLN 33 N 0.00 -0.61 -0.07 3.56 4.15 -1.95 -1.82 115.11 118.36 2dk8 h GLN 33 Ca 0.90 0.04 0.01 0.00 0.77 0.00 0.00 58.65 60.37 2dk8 h GLN 33 Cb 3.64 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 31.45 2dk8 h GLN 33 CO -0.01 -0.34 -0.14 0.28 -1.93 0.00 0.00 178.83 176.69 2dk8 h VAL 34 N -0.79 0.00 -0.91 2.39 2.07 0.59 0.82 116.25 120.42 2dk8 h VAL 34 Ca -0.07 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.72 2dk8 h VAL 34 Cb 0.56 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 2dk8 h VAL 34 CO 0.11 0.00 0.92 0.40 0.02 0.00 0.00 177.57 179.02 2dk8 h ILE 35 N -0.12 0.18 0.10 4.57 2.04 -1.56 0.78 117.51 123.50 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 0.15 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2dk8 h ILE 35 CO -0.13 0.00 -0.05 -0.61 0.00 0.00 0.00 178.15 177.36 2dk8 h GLN 36 N 0.00 -0.13 0.00 2.37 4.15 0.15 1.55 115.11 123.20 2dk8 h GLN 36 Ca 0.43 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.86 2dk8 h GLN 36 Cb 2.26 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.98 2dk8 h GLN 36 CO -0.00 0.29 0.00 -1.71 -1.93 0.00 0.00 178.83 175.48 2dk8 n ASN 37 N -4.94 0.67 -0.09 -0.69 2.85 0.23 -0.67 115.26 112.63 2dk8 n ASN 37 Ca -0.09 0.65 -0.12 0.00 -0.11 0.00 0.00 54.58 54.91 2dk8 n ASN 37 Cb 0.25 -0.80 -0.05 0.00 1.24 0.00 0.00 39.78 40.42 2dk8 n ASN 37 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2dk8 n GLU 38 N -2.22 0.50 -3.28 1.20 -0.58 0.87 -4.74 120.64 112.39 2dk8 n GLU 38 Ca 0.03 0.50 -0.25 0.00 -0.42 0.00 0.00 57.16 57.01 2dk8 n GLU 38 Cb 0.26 -1.67 -0.07 0.00 -0.57 0.00 0.00 31.44 29.38 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 -4.52 1.63 0.00 3.49 2.81 0.53 -4.88 117.12 116.17 2dk8 n MET 39 Ca -0.19 -3.93 0.11 0.00 -1.81 0.00 0.00 57.70 51.88 2dk8 n MET 39 Cb 0.46 -1.73 0.55 0.00 -0.71 0.00 0.00 33.22 31.79 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 1.02 0.27 0.00 0.03 -0.04 0.15 -2.24 135.00 134.19 2dk8 n PRO 40 Ca 0.26 0.08 0.14 0.00 -0.04 0.00 0.00 63.50 63.94 2dk8 n PRO 40 Cb 0.48 -1.50 0.63 0.00 -0.04 0.00 0.00 33.50 33.07 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 -1.32 0.00 -2.73 0.54 1.44 -1.26 -4.83 115.22 107.06 2dk8 n HIS 41 Ca 0.10 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.47 2dk8 n HIS 41 Cb 0.19 -0.34 -0.06 0.00 0.12 0.00 0.00 29.99 29.90 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 -2.75 4.19 0.60 0.61 -1.09 -0.95 -5.02 121.20 116.79 2dk8 s ILE 42 Ca 0.21 1.39 -0.13 0.00 -2.23 0.00 0.00 60.65 59.90 2dk8 s ILE 42 Cb 0.19 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.46 2dk8 s ILE 42 CO 0.51 -0.27 1.02 -1.61 -1.23 0.00 0.00 174.94 173.36 2dk8 s GLU 43 N -3.14 3.60 0.17 2.79 2.02 -1.26 -4.83 118.70 118.04 2dk8 s GLU 43 Ca 0.63 0.85 -0.15 0.00 0.02 0.00 0.00 54.97 56.32 2dk8 s GLU 43 Cb -0.12 -2.08 0.08 0.00 0.10 0.00 0.00 34.13 32.11 2dk8 s GLU 43 CO 0.16 -0.57 1.80 0.00 0.02 0.00 0.00 175.26 176.67 2dk8 h ALA 44 N -0.02 0.58 -0.10 5.21 0.00 -1.97 0.71 119.26 123.66 2dk8 h ALA 44 Ca -0.45 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 2dk8 h ALA 44 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2dk8 h ALA 44 CO 0.61 -0.08 -0.40 1.96 0.00 0.00 0.00 179.25 181.34 2dk8 h GLN 45 N 0.51 0.45 -1.01 0.00 4.20 -1.99 -2.62 115.11 114.65 2dk8 h GLN 45 Ca 0.19 -0.35 0.05 0.00 0.06 0.00 0.00 58.65 58.60 2dk8 h GLN 45 Cb 0.05 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.84 2dk8 h GLN 45 CO -0.10 0.98 0.66 1.96 -0.67 0.00 0.00 178.83 181.65 2dk8 h GLN 46 N 0.01 1.20 -0.41 1.46 1.08 -1.86 1.45 115.11 118.05 2dk8 h GLN 46 Ca -0.02 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 2dk8 h GLN 46 Cb 1.04 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 28.18 2dk8 h GLN 46 CO 0.08 0.79 0.16 0.00 -0.95 0.00 0.00 178.83 178.92 2dk8 h ARG 47 N 1.24 0.61 -0.21 1.46 3.08 0.44 -2.19 114.38 118.81 2dk8 h ARG 47 Ca 0.42 -0.11 -0.18 0.00 0.07 0.00 0.00 59.98 60.17 2dk8 h ARG 47 Cb 0.07 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2dk8 h ARG 47 CO -0.15 0.58 -0.57 0.00 -1.07 0.00 0.00 179.97 178.76 2dk8 h ALA 48 N 1.00 0.35 -0.02 0.04 0.00 -0.95 -2.80 119.26 116.88 2dk8 h ALA 48 Ca 0.14 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2dk8 h ALA 48 Cb 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2dk8 h ALA 48 CO -0.01 0.58 -0.04 0.28 0.00 0.00 0.00 179.25 180.06 2dk8 h VAL 49 N 0.48 0.00 -0.71 0.00 2.07 0.22 1.52 116.25 119.82 2dk8 h VAL 49 Ca -0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.66 2dk8 h VAL 49 Cb 1.19 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.83 2dk8 h VAL 49 CO 0.12 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.61 2dk8 h ALA 50 N -1.26 0.58 0.25 1.67 0.00 -1.50 0.46 119.26 119.48 2dk8 h ALA 50 Ca 0.00 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2dk8 h ALA 50 Cb 0.04 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2dk8 h ALA 50 CO -0.04 -0.42 -0.41 0.82 0.00 0.00 0.00 179.25 179.20 2dk8 h ILE 51 N 0.04 0.00 -0.49 0.00 2.04 -0.91 0.28 117.51 118.46 2dk8 h ILE 51 Ca 0.36 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.32 2dk8 h ILE 51 Cb 0.59 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.57 2dk8 h ILE 51 CO -0.69 0.00 -0.29 -1.13 0.00 0.00 0.00 178.15 176.04 2dk8 h ASN 52 N -0.71 -0.99 -0.25 1.72 -0.73 0.36 0.90 115.58 115.88 2dk8 h ASN 52 Ca -0.03 0.20 0.05 0.00 1.87 0.00 0.00 56.30 58.39 2dk8 h ASN 52 Cb 0.65 0.50 -0.08 0.00 0.27 0.00 0.00 38.32 39.67 2dk8 h ASN 52 CO -0.14 -0.29 -0.45 0.03 -0.37 0.00 0.00 177.43 176.21 2dk8 h ARG 53 N -0.17 -0.43 -0.02 6.67 3.08 0.39 0.15 114.38 124.05 2dk8 h ARG 53 Ca 0.21 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.31 2dk8 h ARG 53 Cb 0.52 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 2dk8 h ARG 53 CO -0.59 -0.28 -0.11 -0.07 -1.07 0.00 0.00 179.97 177.84 2dk8 h LEU 54 N -0.44 -0.32 -0.82 3.04 3.38 0.92 1.47 115.31 122.54 2dk8 h LEU 54 Ca 0.09 0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.28 2dk8 h LEU 54 Cb 0.62 0.14 -0.16 0.00 0.09 0.00 0.00 40.66 41.35 2dk8 h LEU 54 CO -0.48 -0.15 -0.20 -0.07 0.09 0.00 0.00 178.44 177.62 2dk8 h LEU 55 N -0.17 -0.76 0.27 1.67 3.38 0.18 0.45 115.31 120.33 2dk8 h LEU 55 Ca 0.05 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 2dk8 h LEU 55 Cb 0.24 0.51 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2dk8 h LEU 55 CO -0.13 -0.27 -0.13 -1.28 0.09 0.00 0.00 178.44 176.72 2dk8 h SER 56 N 0.00 -0.31 -1.79 -0.43 0.87 0.03 -3.22 113.55 108.71 2dk8 h SER 56 Ca 0.40 0.01 0.52 0.00 -1.23 0.00 0.00 61.79 61.49 2dk8 h SER 56 Cb 0.60 0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 62.57 2dk8 h SER 56 CO -0.85 0.12 1.30 0.23 -0.53 0.00 0.00 176.83 177.10 2dk8 n MET 57 N -4.84 0.00 -0.48 2.24 2.81 0.50 -4.67 117.12 112.66 2dk8 n MET 57 Ca -0.04 0.99 0.00 0.00 -1.81 0.00 0.00 57.70 56.84 2dk8 n MET 57 Cb 0.14 -2.30 0.00 0.00 -0.71 0.00 0.00 33.22 30.36 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 -1.84 0.71 0.10 3.03 0.00 0.15 -4.96 105.19 102.38 2dk8 n GLY 58 Ca 0.40 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.48 0.67 -4.17 1.61 1.13 -0.71 -4.70 117.38 108.73 2dk8 n GLN 59 Ca 0.00 0.21 -0.30 0.00 -1.94 0.00 0.00 57.00 54.97 2dk8 n GLN 59 Cb 0.00 -1.70 -0.08 0.00 0.11 0.00 0.00 30.24 28.57 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 -6.15 3.42 -0.14 1.08 2.96 -1.14 -2.75 118.68 115.95 2dk8 s LEU 60 Ca -0.11 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 2dk8 s LEU 60 Cb 0.07 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.65 2dk8 s LEU 60 CO 0.80 0.19 -0.18 -0.62 -1.32 0.00 0.00 176.35 175.23 2dk8 s ASP 61 N -2.17 2.83 0.21 3.68 -1.08 0.20 -4.24 116.67 116.09 2dk8 s ASP 61 Ca 0.24 -0.54 -0.18 0.00 -0.52 0.00 0.00 52.55 51.55 2dk8 s ASP 61 Cb -0.12 -1.29 -0.08 0.00 -1.46 0.00 0.00 42.92 39.98 2dk8 s ASP 61 CO 0.16 0.01 0.69 -0.22 0.52 0.00 0.00 175.17 176.33 2dk8 s LEU 62 N 1.16 4.32 -0.23 -1.34 0.20 -1.26 -0.00 118.68 121.53 2dk8 s LEU 62 Ca -0.01 1.34 -0.04 0.00 0.69 0.00 0.00 54.13 56.12 2dk8 s LEU 62 Cb -0.14 -3.55 0.09 0.00 -0.43 0.00 0.00 46.19 42.16 2dk8 s LEU 62 CO -0.07 0.03 0.17 -0.76 -0.29 0.00 0.00 176.35 175.43 2dk8 s LEU 63 N -2.03 0.18 -0.40 -0.68 1.43 0.47 -4.94 118.68 112.70 2dk8 s LEU 63 Ca 0.43 -0.72 -0.29 0.00 -1.03 0.00 0.00 54.13 52.52 2dk8 s LEU 63 Cb -0.16 0.03 0.02 0.00 0.03 0.00 0.00 46.19 46.10 2dk8 s LEU 63 CO 0.20 -0.38 1.26 -0.13 0.23 0.00 0.00 176.35 177.54 2dk8 s ARG 64 N 2.22 3.76 0.00 1.70 0.52 -1.26 0.91 118.95 126.80 2dk8 s ARG 64 Ca 0.07 0.90 0.00 0.00 -0.52 0.00 0.00 55.73 56.18 2dk8 s ARG 64 Cb -0.16 -3.92 0.00 0.00 0.52 0.00 0.00 34.95 31.40 2dk8 s ARG 64 CO -0.22 -1.32 0.00 0.45 0.02 0.00 0.00 175.30 174.23 2dk8 n SER 65 N 7.99 0.00 -3.51 0.23 2.88 -1.25 -4.96 113.62 114.99 2dk8 n SER 65 Ca 0.14 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.58 2dk8 n SER 65 Cb 0.48 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 2dk8 n SER 65 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2dk8 s ASN 66 N 0.06 -0.39 -1.49 -3.46 2.47 -1.26 -4.95 114.94 105.92 2dk8 s ASN 66 Ca 0.00 0.12 -0.16 0.00 0.42 0.00 0.00 52.86 53.25 2dk8 s ASN 66 Cb 0.00 0.39 0.14 0.00 -1.45 0.00 0.00 41.25 40.33 2dk8 s ASN 66 CO 0.00 -0.58 0.62 0.35 -3.72 0.00 0.00 177.10 173.77 2dk8 n THR 67 N 0.01 -0.77 0.00 -5.21 -2.24 -1.26 -4.64 114.28 100.18 2dk8 n THR 67 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2dk8 n THR 67 Cb 0.61 -1.40 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 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 -1.21 3.53 3.92 3.38 0.00 -1.26 -5.08 105.19 108.48 2dk8 n GLY 68 Ca 0.06 -1.84 -0.26 0.00 0.00 0.00 0.00 46.02 43.97 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 3.25 0.10 0.99 1.43 -1.26 -3.87 118.68 119.32 2dk8 s LEU 69 Ca 0.00 0.66 0.10 0.00 -1.03 0.00 0.00 54.13 53.86 2dk8 s LEU 69 Cb 0.00 -3.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 2dk8 s LEU 69 CO 0.00 -1.06 -0.26 -0.22 0.23 0.00 0.00 176.35 175.04 2dk8 s LEU 70 N -4.96 2.27 -0.09 1.79 0.20 0.26 -4.40 118.68 113.76 2dk8 s LEU 70 Ca 0.54 -0.70 0.02 0.00 0.69 0.00 0.00 54.13 54.67 2dk8 s LEU 70 Cb -0.10 -1.21 0.02 0.00 -0.43 0.00 0.00 46.19 44.47 2dk8 s LEU 70 CO 0.44 0.19 -0.12 -0.31 -0.29 0.00 0.00 176.35 176.27 2dk8 s TYR 71 N -0.99 1.59 0.33 5.38 2.02 -0.22 0.18 117.35 125.64 2dk8 s TYR 71 Ca 0.13 -0.68 0.05 0.00 -0.37 0.00 0.00 57.07 56.20 2dk8 s TYR 71 Cb -0.10 -1.19 -0.03 0.00 -0.40 0.00 0.00 41.96 40.24 2dk8 s TYR 71 CO 0.05 -0.38 0.20 -0.98 -1.57 0.00 0.00 175.55 172.87 2dk8 s ARG 72 N 0.98 1.72 0.09 -0.62 1.70 0.99 0.20 118.95 124.02 2dk8 s ARG 72 Ca -0.08 -2.01 -0.31 0.00 -0.47 0.00 0.00 55.73 52.86 2dk8 s ARG 72 Cb -0.15 -0.02 -0.07 0.00 -0.57 0.00 0.00 34.95 34.14 2dk8 s ARG 72 CO -0.00 -0.54 1.33 0.42 -1.08 0.00 0.00 175.30 175.43 2dk8 s ILE 73 N -3.48 3.54 0.28 4.99 -1.09 -1.25 0.59 121.20 124.79 2dk8 s ILE 73 Ca 0.35 1.10 -0.29 0.00 -2.23 0.00 0.00 60.65 59.58 2dk8 s ILE 73 Cb 0.03 -3.71 -0.10 0.00 -1.58 0.00 0.00 42.46 37.11 2dk8 s ILE 73 CO 0.21 0.08 1.35 -0.75 -1.23 0.00 0.00 174.94 174.60 2dk8 s LYS 74 N 1.13 4.33 0.26 2.79 2.20 -1.11 -4.67 119.74 124.67 2dk8 s LYS 74 Ca 0.63 2.22 -0.18 0.00 -0.36 0.00 0.00 55.97 58.28 2dk8 s LYS 74 Cb -0.34 -3.10 0.01 0.00 -1.51 0.00 0.00 37.83 32.88 2dk8 s LYS 74 CO 0.30 -0.28 0.61 0.34 -0.36 0.00 0.00 175.35 175.96 2dk8 s ASP 75 N -0.06 -0.20 -0.19 1.43 2.15 -1.26 -4.99 116.67 113.54 2dk8 s ASP 75 Ca 0.54 -0.72 -0.00 0.00 0.43 0.00 0.00 52.55 52.80 2dk8 s ASP 75 Cb -0.40 0.66 0.02 0.00 -0.30 0.00 0.00 42.92 42.90 2dk8 s ASP 75 CO 0.47 -1.24 -0.16 -0.44 -0.17 0.00 0.00 175.17 173.63 2dk8 s SER 76 N -2.95 3.48 0.61 -0.34 0.01 -1.26 -5.12 113.70 108.13 2dk8 s SER 76 Ca 0.15 -0.63 -0.15 0.00 1.31 0.00 0.00 55.95 56.63 2dk8 s SER 76 Cb -0.03 -1.55 -0.03 0.00 0.21 0.00 0.00 66.02 64.62 2dk8 s SER 76 CO 0.07 -0.02 1.06 -0.83 0.41 0.00 0.00 173.24 173.93 2dk8 s GLY 77 N 1.33 2.06 -0.08 3.44 0.00 -1.26 -5.00 107.32 107.82 2dk8 s GLY 77 Ca 0.05 0.35 -0.27 0.00 0.00 0.00 0.00 44.72 44.84 2dk8 s GLY 77 CO -0.10 0.66 1.02 -0.56 0.00 0.00 0.00 173.10 174.12 2dk8 h PRO 78 N 0.29 0.04 -4.55 2.90 0.13 -2.00 -3.41 132.00 125.40 2dk8 h PRO 78 Ca -0.46 -0.03 -0.70 0.00 -0.87 0.00 0.00 66.00 63.94 2dk8 h PRO 78 Cb 1.22 0.01 -0.33 0.00 0.13 0.00 0.00 31.00 32.03 2dk8 h PRO 78 CO 0.57 0.78 -0.57 -1.12 -0.23 0.00 0.00 178.00 177.43 2dk8 s SER 79 N -6.03 5.24 0.27 1.44 0.01 -1.26 -5.07 113.70 108.31 2dk8 s SER 79 Ca -0.17 -1.74 -0.28 0.00 1.31 0.00 0.00 55.95 55.07 2dk8 s SER 79 Cb -0.00 -1.83 -0.14 0.00 0.21 0.00 0.00 66.02 64.25 2dk8 s SER 79 CO 0.69 -0.47 0.93 -0.24 0.41 0.00 0.00 173.24 174.57 2dk8 n SER 80 N 4.66 0.90 0.00 2.44 2.88 -1.26 -5.26 113.62 117.97 2dk8 n SER 80 Ca -0.06 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 2dk8 n SER 80 Cb 0.42 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 2dk8 n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42