#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk6 s SER 2 N 0.00 4.63 -0.13 1.61 0.01 -1.26 -5.08 113.70 113.49 2dk6 s SER 2 Ca 0.00 -1.96 -0.22 0.00 1.31 0.00 0.00 55.95 55.08 2dk6 s SER 2 Cb 0.00 -1.55 0.05 0.00 0.21 0.00 0.00 66.02 64.73 2dk6 s SER 2 CO 0.00 -0.34 0.55 -0.94 0.41 0.00 0.00 173.24 172.92 2dk6 s SER 3 N 1.00 -0.53 0.00 2.44 1.04 -1.26 -5.15 113.70 111.24 2dk6 s SER 3 Ca 0.07 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.31 2dk6 s SER 3 Cb -0.19 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2dk6 s SER 3 CO -0.08 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2dk6 n GLY 4 N 1.94 3.39 3.20 7.32 0.00 -1.26 -5.15 105.19 114.64 2dk6 n GLY 4 Ca -0.17 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 43.94 2dk6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk6 s SER 5 N 0.00 -0.07 -0.18 1.61 0.15 -1.26 -5.17 113.70 108.78 2dk6 s SER 5 Ca 0.00 -0.16 -0.29 0.00 0.70 0.00 0.00 55.95 56.20 2dk6 s SER 5 Cb 0.00 0.30 0.13 0.00 -1.71 0.00 0.00 66.02 64.73 2dk6 s SER 5 CO 0.00 -0.50 1.02 -0.55 1.20 0.00 0.00 173.24 174.41 2dk6 s SER 6 N -1.72 -0.36 1.08 5.45 0.15 -1.26 -5.18 113.70 111.86 2dk6 s SER 6 Ca -0.09 0.44 -0.16 0.00 0.70 0.00 0.00 55.95 56.83 2dk6 s SER 6 Cb -0.03 0.36 0.23 0.00 -1.71 0.00 0.00 66.02 64.86 2dk6 s SER 6 CO -0.00 -0.30 1.13 0.61 1.20 0.00 0.00 173.24 175.87 2dk6 n GLY 7 N 0.91 -1.94 3.22 9.45 0.00 -1.26 -5.10 105.19 110.46 2dk6 n GLY 7 Ca -0.10 -1.63 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 2dk6 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk6 s ASN 8 N -4.97 0.06 -0.23 1.61 4.22 -1.26 -5.04 114.94 109.33 2dk6 s ASN 8 Ca 0.67 -0.56 0.15 0.00 -2.14 0.00 0.00 52.86 50.97 2dk6 s ASN 8 Cb -0.03 0.35 0.72 0.00 1.28 0.00 0.00 41.25 43.56 2dk6 s ASN 8 CO 0.49 -0.72 1.64 1.21 -2.04 0.00 0.00 177.10 177.68 2dk6 n GLU 9 N 0.02 4.12 -4.83 3.55 4.07 -1.26 -4.92 120.64 121.39 2dk6 n GLU 9 Ca -0.16 -3.06 -0.27 0.00 -0.06 0.00 0.00 57.16 53.61 2dk6 n GLU 9 Cb 0.62 -2.12 -0.16 0.00 -0.06 0.00 0.00 31.44 29.71 2dk6 n GLU 9 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2dk6 s VAL 10 N -2.82 1.46 -0.33 6.31 -7.23 -1.26 -5.11 120.40 111.43 2dk6 s VAL 10 Ca 0.51 -0.69 0.03 0.00 -1.81 0.00 0.00 61.98 60.01 2dk6 s VAL 10 Cb 0.40 -1.29 0.09 0.00 0.56 0.00 0.00 36.38 36.14 2dk6 s VAL 10 CO 0.13 0.43 0.03 -0.62 -0.31 0.00 0.00 175.10 174.75 2dk6 s ASP 11 N 0.37 4.75 -0.09 4.85 -1.08 -1.26 -4.78 116.67 119.42 2dk6 s ASP 11 Ca -0.12 -1.94 0.02 0.00 -0.52 0.00 0.00 52.55 50.00 2dk6 s ASP 11 Cb -0.15 -1.63 0.01 0.00 -1.46 0.00 0.00 42.92 39.69 2dk6 s ASP 11 CO 0.04 -0.35 -0.15 1.51 0.52 0.00 0.00 175.17 176.74 2dk6 s ASP 12 N 1.04 2.29 -0.11 -0.34 -4.77 -1.26 -5.12 116.67 108.40 2dk6 s ASP 12 Ca 0.06 -0.40 -0.01 0.00 -3.30 0.00 0.00 52.55 48.90 2dk6 s ASP 12 Cb -0.20 -1.04 -0.02 0.00 -1.09 0.00 0.00 42.92 40.57 2dk6 s ASP 12 CO -0.07 0.04 -0.09 0.00 0.70 0.00 0.00 175.17 175.76 2dk6 s MET 13 N 0.77 3.20 0.14 2.11 0.23 -1.26 -4.37 119.30 120.11 2dk6 s MET 13 Ca -0.12 -0.60 0.04 0.00 -1.03 0.00 0.00 55.69 53.99 2dk6 s MET 13 Cb -0.16 -2.68 -0.04 0.00 -1.53 0.00 0.00 34.83 30.43 2dk6 s MET 13 CO 0.02 0.40 0.13 -0.51 -2.03 0.00 0.00 175.02 173.03 2dk6 s ASP 14 N -0.10 5.60 -0.25 -1.18 1.01 -1.26 -5.05 116.67 115.44 2dk6 s ASP 14 Ca 0.00 -0.06 -0.16 0.00 0.71 0.00 0.00 52.55 53.03 2dk6 s ASP 14 Cb -0.13 -1.50 -0.14 0.00 1.01 0.00 0.00 42.92 42.16 2dk6 s ASP 14 CO 0.03 0.10 -0.17 0.41 0.21 0.00 0.00 175.17 175.75 2dk6 n THR 15 N -0.12 1.53 -3.08 -1.27 -1.04 -1.26 -4.79 114.28 104.24 2dk6 n THR 15 Ca -0.08 -0.24 -0.34 0.00 -2.04 0.00 0.00 64.05 61.35 2dk6 n THR 15 Cb 0.54 -1.96 -0.06 0.00 -1.82 0.00 0.00 70.33 67.03 2dk6 n THR 15 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2dk6 s SER 16 N -7.21 6.91 -1.28 8.00 0.01 -1.26 -4.10 113.70 114.77 2dk6 s SER 16 Ca -0.35 1.39 -0.02 0.00 1.31 0.00 0.00 55.95 58.28 2dk6 s SER 16 Cb 0.11 -2.41 0.01 0.00 0.21 0.00 0.00 66.02 63.94 2dk6 s SER 16 CO 0.51 -0.13 0.90 0.47 0.41 0.00 0.00 173.24 175.41 2dk6 n ASP 17 N 0.03 -2.35 -3.91 2.44 9.92 -1.26 -5.00 116.55 116.43 2dk6 n ASP 17 Ca 0.02 -0.70 -0.27 0.00 -0.53 0.00 0.00 54.79 53.30 2dk6 n ASP 17 Cb 0.52 -4.61 -0.17 0.00 -0.64 0.00 0.00 41.12 36.22 2dk6 n ASP 17 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2dk6 s THR 18 N -3.47 1.07 0.01 -3.53 2.01 -1.26 -5.07 115.64 105.41 2dk6 s THR 18 Ca 0.11 -0.38 -0.16 0.00 0.31 0.00 0.00 61.69 61.57 2dk6 s THR 18 Cb -0.05 -1.12 -0.06 0.00 0.01 0.00 0.00 72.50 71.28 2dk6 s THR 18 CO 0.77 0.32 0.45 -1.10 -0.69 0.00 0.00 174.62 174.37 2dk6 s GLN 19 N 1.68 4.00 -0.23 4.92 -0.21 -1.26 -5.07 119.66 123.48 2dk6 s GLN 19 Ca 0.04 0.49 -0.05 0.00 0.02 0.00 0.00 55.36 55.86 2dk6 s GLN 19 Cb -0.13 -3.23 -0.01 0.00 1.00 0.00 0.00 33.01 30.63 2dk6 s GLN 19 CO -0.08 0.66 0.00 -1.58 -2.12 0.00 0.00 175.29 172.17 2dk6 s TRP 20 N -1.02 3.01 0.30 0.91 0.52 -1.26 -3.74 118.94 117.67 2dk6 s TRP 20 Ca 0.25 -0.75 0.07 0.00 0.02 0.00 0.00 56.10 55.69 2dk6 s TRP 20 Cb -0.17 -2.16 -0.03 0.00 -1.15 0.00 0.00 33.47 29.96 2dk6 s TRP 20 CO 0.15 -0.48 0.29 0.20 0.02 0.00 0.00 176.95 177.13 2dk6 s GLY 21 N 1.53 1.59 0.17 0.98 0.00 0.79 -4.92 107.32 107.45 2dk6 s GLY 21 Ca 0.06 -1.52 0.08 0.00 0.00 0.00 0.00 44.72 43.34 2dk6 s GLY 21 CO -0.01 -1.49 -0.06 -0.98 0.00 0.00 0.00 173.10 170.56 2dk6 s TRP 22 N -2.21 2.72 0.05 1.90 0.52 -1.26 -1.01 118.94 119.65 2dk6 s TRP 22 Ca 0.38 -0.18 -0.08 0.00 0.02 0.00 0.00 56.10 56.25 2dk6 s TRP 22 Cb -0.07 -1.34 -0.00 0.00 -1.15 0.00 0.00 33.47 30.90 2dk6 s TRP 22 CO 0.27 0.50 0.15 -0.06 0.02 0.00 0.00 176.95 177.83 2dk6 s PHE 23 N -1.64 0.15 0.01 -1.98 0.40 -0.58 -1.71 117.98 112.63 2dk6 s PHE 23 Ca 0.25 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 56.12 2dk6 s PHE 23 Cb -0.09 -0.09 -0.01 0.00 0.51 0.00 0.00 43.02 43.34 2dk6 s PHE 23 CO 0.16 -0.44 -0.04 1.52 0.70 0.00 0.00 175.22 177.13 2dk6 s TYR 24 N -2.99 0.32 0.21 0.36 -0.85 -1.09 -1.48 117.35 111.83 2dk6 s TYR 24 Ca -0.02 -0.17 -0.30 0.00 -0.52 0.00 0.00 57.07 56.07 2dk6 s TYR 24 Cb 0.01 -0.20 -0.09 0.00 0.38 0.00 0.00 41.96 42.06 2dk6 s TYR 24 CO -0.06 -0.04 1.21 -1.17 -1.52 0.00 0.00 175.55 173.97 2dk6 s LEU 25 N -0.44 4.46 0.24 -3.49 2.96 -0.25 -1.55 118.68 120.61 2dk6 s LEU 25 Ca -0.02 2.30 0.07 0.00 -0.22 0.00 0.00 54.13 56.25 2dk6 s LEU 25 Cb -0.03 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 2dk6 s LEU 25 CO -0.00 -0.37 0.16 0.00 -1.32 0.00 0.00 176.35 174.82 2dk6 s ALA 26 N -0.28 3.53 0.38 5.97 0.00 -1.15 -4.41 121.76 125.80 2dk6 s ALA 26 Ca 0.52 -1.41 0.08 0.00 0.00 0.00 0.00 51.96 51.15 2dk6 s ALA 26 Cb -0.34 -1.25 0.83 0.00 0.00 0.00 0.00 23.12 22.36 2dk6 s ALA 26 CO 0.39 0.30 1.97 1.49 0.00 0.00 0.00 175.76 179.91 2dk6 h GLU 27 N 1.72 0.63 -0.05 0.00 4.81 -1.96 -0.25 114.58 119.48 2dk6 h GLU 27 Ca -0.48 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.72 2dk6 h GLU 27 Cb 1.23 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 2dk6 h GLU 27 CO 0.61 0.42 0.03 0.00 -0.73 0.00 0.00 179.01 179.34 2dk6 n GLY 29 N -1.54 3.35 3.78 0.00 0.00 -0.11 -5.10 105.19 105.58 2dk6 n GLY 29 Ca -0.02 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 2dk6 n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dk6 s LYS 30 N 0.00 4.59 0.14 1.61 2.36 -1.26 -4.59 119.74 122.58 2dk6 s LYS 30 Ca 0.00 1.34 -0.25 0.00 -2.55 0.00 0.00 55.97 54.51 2dk6 s LYS 30 Cb 0.00 -2.82 -0.07 0.00 -1.05 0.00 0.00 37.83 33.89 2dk6 s LYS 30 CO 0.00 0.28 0.78 -1.58 1.55 0.00 0.00 175.35 176.38 2dk6 s TRP 31 N -1.59 3.87 -0.16 4.03 0.52 -1.26 -2.93 118.94 121.42 2dk6 s TRP 31 Ca 0.50 1.61 0.01 0.00 0.02 0.00 0.00 56.10 58.24 2dk6 s TRP 31 Cb -0.19 -2.79 0.01 0.00 -1.15 0.00 0.00 33.47 29.35 2dk6 s TRP 31 CO 0.24 0.46 -0.20 -1.01 0.02 0.00 0.00 176.95 176.46 2dk6 s HIS 32 N -0.89 2.73 0.76 -1.98 3.76 -0.59 -4.92 115.29 114.17 2dk6 s HIS 32 Ca 0.37 -1.38 -0.16 0.00 -0.15 0.00 0.00 55.06 53.74 2dk6 s HIS 32 Cb -0.23 -1.87 -0.01 0.00 1.11 0.00 0.00 32.58 31.58 2dk6 s HIS 32 CO 0.26 -0.65 0.63 -0.12 -0.85 0.00 0.00 174.74 174.00 2dk6 n MET 33 N 4.28 0.25 -2.25 1.40 1.56 -1.26 -2.65 117.12 118.45 2dk6 n MET 33 Ca -0.20 0.13 -0.41 0.00 -0.27 0.00 0.00 57.70 56.95 2dk6 n MET 33 Cb 0.51 -1.94 -0.03 0.00 2.15 0.00 0.00 33.22 33.91 2dk6 n MET 33 CO 0.00 0.00 0.00 -0.06 -0.73 0.00 0.00 175.97 175.18 2dk6 s PHE 34 N -1.97 3.28 -0.03 1.12 0.40 -0.69 -4.84 117.98 115.24 2dk6 s PHE 34 Ca 0.66 1.30 -0.10 0.00 -0.60 0.00 0.00 56.93 58.20 2dk6 s PHE 34 Cb -0.33 -3.57 0.01 0.00 0.51 0.00 0.00 43.02 39.65 2dk6 s PHE 34 CO 0.57 -1.69 0.22 -0.65 0.70 0.00 0.00 175.22 174.37 2dk6 s GLN 35 N -0.39 0.47 0.05 0.44 -0.21 -1.26 -4.13 119.66 114.62 2dk6 s GLN 35 Ca 0.54 -0.09 -0.31 0.00 0.02 0.00 0.00 55.36 55.53 2dk6 s GLN 35 Cb -0.36 0.21 -0.07 0.00 1.00 0.00 0.00 33.01 33.79 2dk6 s GLN 35 CO 0.40 -0.11 1.41 -1.25 -2.12 0.00 0.00 175.29 173.62 2dk6 s PRO 36 N -0.85 4.30 0.87 2.91 0.04 -1.26 -4.76 135.00 136.24 2dk6 s PRO 36 Ca -0.09 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 62.84 2dk6 s PRO 36 Cb -0.05 -3.44 0.13 0.00 0.04 0.00 0.00 34.50 31.18 2dk6 s PRO 36 CO 0.02 -0.52 1.23 0.34 0.04 0.00 0.00 177.00 178.11 2dk6 s ASP 37 N 1.60 3.95 0.99 6.66 2.15 -1.26 -4.83 116.67 125.92 2dk6 s ASP 37 Ca 0.65 0.56 -0.17 0.00 0.43 0.00 0.00 52.55 54.02 2dk6 s ASP 37 Cb -0.34 -0.87 -0.08 0.00 -0.30 0.00 0.00 42.92 41.32 2dk6 s ASP 37 CO 0.29 -2.24 -0.49 0.35 -0.17 0.00 0.00 175.17 172.91 2dk6 n THR 38 N -3.49 0.00 -0.22 1.71 -2.24 -1.26 -4.05 114.28 104.73 2dk6 n THR 38 Ca 0.11 -0.34 0.02 0.00 -2.27 0.00 0.00 64.05 61.57 2dk6 n THR 38 Cb 0.60 -0.22 0.13 0.00 -2.10 0.00 0.00 70.33 68.75 2dk6 n THR 38 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2dk6 h ASN 39 N -1.24 0.16 0.00 3.42 4.21 -1.96 1.62 115.58 121.79 2dk6 h ASN 39 Ca -0.44 0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.17 2dk6 h ASN 39 Cb 1.31 0.10 0.00 0.00 -1.12 0.00 0.00 38.32 38.61 2dk6 h ASN 39 CO 0.27 0.08 0.00 -1.54 -1.29 0.00 0.00 177.43 174.95 2dk6 n SER 40 N -5.05 0.00 -0.96 5.81 3.41 -1.26 -2.63 113.62 112.94 2dk6 n SER 40 Ca 0.11 0.99 -0.01 0.00 -0.26 0.00 0.00 58.87 59.69 2dk6 n SER 40 Cb 0.34 -0.49 0.07 0.00 -0.26 0.00 0.00 64.21 63.87 2dk6 n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dk6 n GLN 41 N -2.07 1.60 -1.38 4.33 6.02 -1.15 -3.77 117.38 120.96 2dk6 n GLN 41 Ca 0.00 -0.64 -0.56 0.00 -0.01 0.00 0.00 57.00 55.79 2dk6 n GLN 41 Cb 0.00 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.67 2dk6 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dk6 n SER 43 N 4.06 1.58 -4.75 0.00 7.64 -1.26 -4.76 113.62 116.14 2dk6 n SER 43 Ca 0.31 -2.06 -0.40 0.00 1.01 0.00 0.00 58.87 57.74 2dk6 n SER 43 Cb -0.05 -0.20 -0.05 0.00 -1.01 0.00 0.00 64.21 62.90 2dk6 n SER 43 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2dk6 s VAL 44 N -1.45 4.80 0.40 0.44 -7.23 -1.26 -4.42 120.40 111.69 2dk6 s VAL 44 Ca 0.34 1.51 -0.04 0.00 -1.81 0.00 0.00 61.98 61.98 2dk6 s VAL 44 Cb -0.03 -4.06 -0.04 0.00 0.56 0.00 0.00 36.38 32.82 2dk6 s VAL 44 CO 0.21 0.37 0.67 -0.44 -0.31 0.00 0.00 175.10 175.61 2dk6 s SER 45 N -0.05 6.32 0.32 4.85 0.01 -1.26 -4.50 113.70 119.39 2dk6 s SER 45 Ca 0.36 0.75 0.09 0.00 1.31 0.00 0.00 55.95 58.47 2dk6 s SER 45 Cb -0.20 -2.17 0.95 0.00 0.21 0.00 0.00 66.02 64.82 2dk6 s SER 45 CO 0.21 -0.42 1.48 -1.54 0.41 0.00 0.00 173.24 173.38 2dk6 n SER 46 N -1.85 0.07 0.21 2.44 3.41 -1.26 0.04 113.62 116.69 2dk6 n SER 46 Ca -0.01 1.58 -0.16 0.00 -0.26 0.00 0.00 58.87 60.02 2dk6 n SER 46 Cb 0.55 -0.66 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 2dk6 n SER 46 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2dk6 h GLU 47 N 0.00 -0.74 -0.32 4.33 4.81 -1.92 0.91 114.58 121.65 2dk6 h GLU 47 Ca 0.67 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 60.02 2dk6 h GLU 47 Cb 1.57 0.17 -0.08 0.00 0.63 0.00 0.00 28.75 31.04 2dk6 h GLU 47 CO -0.82 -0.49 -0.19 0.22 -0.73 0.00 0.00 179.01 177.00 2dk6 h ASP 48 N -0.76 -0.63 0.42 1.04 1.82 -0.75 0.18 116.42 117.73 2dk6 h ASP 48 Ca -0.02 0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 2dk6 h ASP 48 Cb 0.71 0.33 -0.01 0.00 0.68 0.00 0.00 39.33 41.04 2dk6 h ASP 48 CO -0.11 -0.22 -0.37 0.40 -1.61 0.00 0.00 179.24 177.33 2dk6 h ILE 49 N -0.15 0.00 -0.30 2.25 5.03 -1.09 -2.34 117.51 120.92 2dk6 h ILE 49 Ca 0.17 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.97 2dk6 h ILE 49 Cb 0.40 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.11 2dk6 h ILE 49 CO -0.41 0.00 -0.38 -0.08 -0.68 0.00 0.00 178.15 176.60 2dk6 h GLU 50 N -0.77 -0.34 -0.97 2.37 4.22 -0.60 0.46 114.58 118.95 2dk6 h GLU 50 Ca -0.05 0.02 0.32 0.00 0.08 0.00 0.00 59.36 59.73 2dk6 h GLU 50 Cb 0.65 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 29.82 2dk6 h GLU 50 CO -0.02 -0.23 0.41 -0.22 -2.18 0.00 0.00 179.01 176.78 2dk6 h LYS 51 N -0.35 0.16 0.38 1.92 3.64 -0.56 -0.65 116.57 121.10 2dk6 h LYS 51 Ca 0.13 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2dk6 h LYS 51 Cb 0.57 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2dk6 h LYS 51 CO -0.49 0.10 -0.18 0.77 -2.27 0.00 0.00 179.45 177.38 2dk6 h SER 52 N 0.16 -0.43 -1.43 4.20 0.02 -0.42 -3.19 113.55 112.47 2dk6 h SER 52 Ca 0.71 -0.00 0.41 0.00 -0.84 0.00 0.00 61.79 62.07 2dk6 h SER 52 Cb 1.65 0.11 -0.06 0.00 0.14 0.00 0.00 62.40 64.24 2dk6 h SER 52 CO -0.71 0.01 1.20 0.15 -1.14 0.00 0.00 176.83 176.34 2dk6 h PHE 53 N -1.12 0.00 0.57 3.45 3.04 0.10 0.89 116.94 123.87 2dk6 h PHE 53 Ca -0.05 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.87 2dk6 h PHE 53 Cb 0.41 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.92 2dk6 h PHE 53 CO 0.00 0.00 -0.27 0.87 -2.02 0.00 0.00 178.31 176.89 2dk6 h LYS 54 N 0.00 -0.73 -0.48 1.11 1.57 -1.15 -1.20 116.57 115.69 2dk6 h LYS 54 Ca 0.68 0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.49 2dk6 h LYS 54 Cb 3.07 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 35.52 2dk6 h LYS 54 CO -0.01 -0.49 0.23 0.00 -0.57 0.00 0.00 179.45 178.61 2dk6 h THR 55 N -0.91 1.19 -3.13 -0.16 1.03 -0.96 -3.34 112.91 106.62 2dk6 h THR 55 Ca -0.08 -0.53 -0.63 0.00 -0.01 0.00 0.00 66.41 65.17 2dk6 h THR 55 Cb 0.58 0.66 -0.42 0.00 -1.07 0.00 0.00 68.15 67.91 2dk6 h THR 55 CO 0.13 0.21 -0.56 0.54 -0.01 0.00 0.00 175.52 175.83 2dk6 s ASN 56 N -5.86 4.83 0.38 0.00 4.22 -0.20 -4.90 114.94 113.41 2dk6 s ASN 56 Ca -0.13 -3.75 0.28 0.00 -2.14 0.00 0.00 52.86 47.12 2dk6 s ASN 56 Cb 0.11 -1.65 1.17 0.00 1.28 0.00 0.00 41.25 42.15 2dk6 s ASN 56 CO 0.76 -0.11 1.83 1.55 -2.04 0.00 0.00 177.10 179.09 2dk6 h PRO 57 N 5.56 0.00 -0.45 3.55 0.13 -1.34 -3.02 132.00 136.44 2dk6 h PRO 57 Ca 0.12 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.92 2dk6 h PRO 57 Cb 0.77 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.58 2dk6 h PRO 57 CO 0.72 0.00 -0.82 0.00 -0.23 0.00 0.00 178.00 177.67 2dk6 n GLY 59 N -0.68 5.25 3.62 0.00 0.00 -1.14 -4.47 105.19 107.78 2dk6 n GLY 59 Ca 0.28 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.63 2dk6 n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk6 s SER 60 N 1.00 -0.66 -0.48 1.61 1.04 -1.26 -1.08 113.70 113.87 2dk6 s SER 60 Ca 0.00 1.21 -0.13 0.00 0.48 0.00 0.00 55.95 57.51 2dk6 s SER 60 Cb 0.00 1.21 0.10 0.00 0.10 0.00 0.00 66.02 67.43 2dk6 s SER 60 CO 0.00 -0.26 0.39 -0.51 0.98 0.00 0.00 173.24 173.84 2dk6 s ILE 61 N 0.18 4.83 -0.19 -1.02 2.07 -0.24 -4.95 121.20 121.88 2dk6 s ILE 61 Ca -0.00 -1.39 -0.23 0.00 -1.41 0.00 0.00 60.65 57.62 2dk6 s ILE 61 Cb -0.04 -4.01 -0.02 0.00 0.13 0.00 0.00 42.46 38.51 2dk6 s ILE 61 CO -0.00 -0.69 0.72 -0.94 -1.91 0.00 0.00 174.94 172.12 2dk6 s SER 62 N 2.81 6.81 -0.10 4.50 1.04 -1.26 -2.30 113.70 125.19 2dk6 s SER 62 Ca 0.04 0.99 -0.08 0.00 0.48 0.00 0.00 55.95 57.37 2dk6 s SER 62 Cb -0.26 -2.40 0.03 0.00 0.10 0.00 0.00 66.02 63.49 2dk6 s SER 62 CO 0.03 -0.33 0.25 0.72 0.98 0.00 0.00 173.24 174.89 2dk6 s PHE 63 N 2.03 -0.29 -0.20 5.02 -0.12 -0.54 -5.04 117.98 118.83 2dk6 s PHE 63 Ca 0.33 0.71 -0.00 0.00 -0.05 0.00 0.00 56.93 57.91 2dk6 s PHE 63 Cb -0.16 0.09 0.02 0.00 -0.63 0.00 0.00 43.02 42.34 2dk6 s PHE 63 CO 0.11 -0.15 -0.14 0.95 -0.05 0.00 0.00 175.22 175.93 2dk6 s THR 64 N 0.36 2.45 0.42 -4.49 -4.23 -1.26 -0.95 115.64 107.94 2dk6 s THR 64 Ca -0.02 -0.91 -0.04 0.00 -1.18 0.00 0.00 61.69 59.54 2dk6 s THR 64 Cb -0.03 -2.11 0.09 0.00 1.34 0.00 0.00 72.50 71.79 2dk6 s THR 64 CO -0.01 0.43 0.58 0.35 -0.54 0.00 0.00 174.62 175.42 2dk6 n THR 65 N 4.65 0.00 -1.60 3.99 -2.24 -0.24 -4.86 114.28 113.98 2dk6 n THR 65 Ca -0.19 -0.62 -0.60 0.00 -2.27 0.00 0.00 64.05 60.37 2dk6 n THR 65 Cb 0.49 -1.46 -0.09 0.00 -2.10 0.00 0.00 70.33 67.17 2dk6 n THR 65 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2dk6 n SER 66 N -3.20 1.77 -2.15 3.42 2.88 -1.25 -0.12 113.62 114.98 2dk6 n SER 66 Ca 0.08 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 2dk6 n SER 66 Cb 0.29 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 2dk6 n SER 66 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2dk6 n LYS 67 N 5.85 -2.60 -4.21 -1.46 2.85 -1.26 -4.82 118.16 112.51 2dk6 n LYS 67 Ca 0.35 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.49 2dk6 n LYS 67 Cb 0.07 -4.00 -0.10 0.00 -0.65 0.00 0.00 35.03 30.34 2dk6 n LYS 67 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2dk6 s PHE 68 N -1.70 1.10 0.02 5.58 0.40 0.83 -5.06 117.98 119.14 2dk6 s PHE 68 Ca 0.00 -1.08 0.02 0.00 -0.60 0.00 0.00 56.93 55.26 2dk6 s PHE 68 Cb 0.00 -0.63 -0.01 0.00 0.51 0.00 0.00 43.02 42.89 2dk6 s PHE 68 CO 0.00 -0.31 -0.06 -1.12 0.70 0.00 0.00 175.22 174.43 2dk6 s SER 69 N -3.13 0.71 -0.20 1.36 0.01 -1.26 -1.08 113.70 110.11 2dk6 s SER 69 Ca 0.24 -0.32 -0.14 0.00 1.31 0.00 0.00 55.95 57.04 2dk6 s SER 69 Cb 0.07 -0.01 0.06 0.00 0.21 0.00 0.00 66.02 66.34 2dk6 s SER 69 CO 0.03 -0.08 0.51 -0.31 0.41 0.00 0.00 173.24 173.80 2dk6 s TYR 70 N -0.76 -0.69 -0.24 2.43 2.02 -0.12 -1.91 117.35 118.09 2dk6 s TYR 70 Ca -0.04 1.50 -0.00 0.00 -0.37 0.00 0.00 57.07 58.16 2dk6 s TYR 70 Cb -0.06 0.32 0.06 0.00 -0.40 0.00 0.00 41.96 41.88 2dk6 s TYR 70 CO 0.00 -0.36 -0.02 0.21 -1.57 0.00 0.00 175.55 173.82 2dk6 s LYS 71 N 1.05 1.32 -0.59 -0.62 2.20 0.14 -1.47 119.74 121.77 2dk6 s LYS 71 Ca -0.06 -0.90 -0.16 0.00 -0.36 0.00 0.00 55.97 54.48 2dk6 s LYS 71 Cb -0.06 -2.46 0.14 0.00 -1.51 0.00 0.00 37.83 33.94 2dk6 s LYS 71 CO -0.10 -0.65 0.59 0.42 -0.36 0.00 0.00 175.35 175.25 2dk6 s ILE 72 N 1.50 5.17 -0.08 5.43 1.01 -0.97 0.14 121.20 133.39 2dk6 s ILE 72 Ca -0.03 -1.52 -0.25 0.00 0.00 0.00 0.00 60.65 58.85 2dk6 s ILE 72 Cb -0.18 -4.40 -0.03 0.00 0.01 0.00 0.00 42.46 37.86 2dk6 s ILE 72 CO -0.08 -0.96 0.79 -1.81 0.00 0.00 0.00 174.94 172.88 2dk6 s ASP 73 N 3.43 7.05 -0.12 3.58 1.11 -0.99 -1.08 116.67 129.64 2dk6 s ASP 73 Ca 0.07 1.27 -0.21 0.00 0.18 0.00 0.00 52.55 53.87 2dk6 s ASP 73 Cb -0.26 -2.45 -0.26 0.00 1.07 0.00 0.00 42.92 41.02 2dk6 s ASP 73 CO 0.02 -0.22 0.60 -0.26 1.18 0.00 0.00 175.17 176.48 2dk6 h PHE 74 N 6.93 0.28 -0.75 4.23 0.04 -1.36 -2.54 116.94 123.77 2dk6 h PHE 74 Ca -0.38 -0.20 0.15 0.00 2.80 0.00 0.00 57.97 60.34 2dk6 h PHE 74 Cb 1.18 -0.01 -0.10 0.00 2.20 0.00 0.00 35.95 39.22 2dk6 h PHE 74 CO 0.67 1.38 0.25 0.00 -0.60 0.00 0.00 178.31 180.02 2dk6 h ALA 75 N -0.10 1.03 -0.00 2.45 0.00 -1.59 0.63 119.26 121.68 2dk6 h ALA 75 Ca -0.22 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2dk6 h ALA 75 Cb 1.49 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2dk6 h ALA 75 CO 0.01 -0.28 -0.04 0.39 0.00 0.00 0.00 179.25 179.34 2dk6 n GLU 76 N -5.07 0.87 -4.05 0.00 1.02 -1.26 -4.92 120.64 107.23 2dk6 n GLU 76 Ca 0.15 -0.20 -0.28 0.00 -0.02 0.00 0.00 57.16 56.80 2dk6 n GLU 76 Cb 0.45 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 2dk6 n GLU 76 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2dk6 n MET 77 N -0.89 -3.10 -3.68 3.49 2.81 0.22 -4.94 117.12 111.02 2dk6 n MET 77 Ca 0.18 0.37 -0.10 0.00 -1.81 0.00 0.00 57.70 56.34 2dk6 n MET 77 Cb 0.22 -4.60 -0.04 0.00 -0.71 0.00 0.00 33.22 28.09 2dk6 n MET 77 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2dk6 s LYS 78 N -6.72 1.15 -0.33 0.03 -2.85 -0.97 -3.50 119.74 106.56 2dk6 s LYS 78 Ca 0.19 -0.78 -0.12 0.00 -1.00 0.00 0.00 55.97 54.26 2dk6 s LYS 78 Cb -0.10 0.48 -0.02 0.00 -2.06 0.00 0.00 37.83 36.12 2dk6 s LYS 78 CO 0.91 -0.46 0.23 -1.14 0.10 0.00 0.00 175.35 174.98 2dk6 s GLN 79 N -3.83 3.59 -0.50 1.78 0.74 -0.76 -2.36 119.66 118.33 2dk6 s GLN 79 Ca 0.05 -0.57 -0.20 0.00 0.05 0.00 0.00 55.36 54.69 2dk6 s GLN 79 Cb 0.01 -3.76 0.05 0.00 1.10 0.00 0.00 33.01 30.41 2dk6 s GLN 79 CO -0.09 -0.38 0.68 1.41 -0.55 0.00 0.00 175.29 176.36 2dk6 s MET 80 N 1.73 3.19 -0.04 1.67 -2.45 0.37 -1.96 119.30 121.80 2dk6 s MET 80 Ca 0.06 -0.67 -0.22 0.00 -1.25 0.00 0.00 55.69 53.61 2dk6 s MET 80 Cb -0.17 -4.06 -0.05 0.00 1.25 0.00 0.00 34.83 31.81 2dk6 s MET 80 CO 0.10 -1.22 0.64 -0.80 1.05 0.00 0.00 175.02 174.79 2dk6 s ASN 81 N 2.56 6.97 -0.14 1.11 -0.87 -1.09 0.27 114.94 123.75 2dk6 s ASN 81 Ca 0.19 1.16 0.01 0.00 -1.57 0.00 0.00 52.86 52.65 2dk6 s ASN 81 Cb -0.17 -2.38 -0.09 0.00 -0.02 0.00 0.00 41.25 38.59 2dk6 s ASN 81 CO 0.15 -0.00 -0.12 0.18 -2.57 0.00 0.00 177.10 174.73 2dk6 n LEU 82 N 3.25 2.96 -0.30 0.60 7.99 -1.20 -2.95 117.00 127.34 2dk6 n LEU 82 Ca -0.04 -0.08 0.14 0.00 -0.01 0.00 0.00 56.01 56.02 2dk6 n LEU 82 Cb 0.51 -0.48 0.31 0.00 -0.11 0.00 0.00 43.42 43.64 2dk6 n LEU 82 CO 0.45 0.73 0.94 0.00 -1.51 0.00 0.00 177.39 178.01 2dk6 h THR 83 N 0.00 0.28 0.00 -5.08 1.03 -1.75 -2.84 112.91 104.55 2dk6 h THR 83 Ca -0.31 -0.07 -0.07 0.00 -0.01 0.00 0.00 66.41 65.95 2dk6 h THR 83 Cb 1.49 0.07 -0.01 0.00 -1.07 0.00 0.00 68.15 68.63 2dk6 h THR 83 CO -0.05 0.03 -1.42 0.35 -0.01 0.00 0.00 175.52 174.42 2dk6 n THR 84 N -5.24 0.26 -1.33 0.00 -2.24 -1.26 -4.95 114.28 99.51 2dk6 n THR 84 Ca 0.22 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2dk6 n THR 84 Cb 0.72 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2dk6 n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dk6 n GLY 85 N 2.32 0.93 4.00 3.38 0.00 -1.07 -5.08 105.19 109.67 2dk6 n GLY 85 Ca -0.07 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 2dk6 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk6 s LYS 86 N -2.99 2.34 -0.10 1.61 -0.14 -1.20 -4.95 119.74 114.30 2dk6 s LYS 86 Ca 0.00 -1.18 0.03 0.00 -1.36 0.00 0.00 55.97 53.46 2dk6 s LYS 86 Cb 0.00 -2.55 0.01 0.00 -1.68 0.00 0.00 37.83 33.61 2dk6 s LYS 86 CO 0.00 -0.83 -0.18 -0.65 -0.76 0.00 0.00 175.35 172.93 2dk6 s GLN 87 N -4.74 2.47 0.42 1.68 -0.21 -1.26 -2.67 119.66 115.34 2dk6 s GLN 87 Ca 0.60 -0.66 0.03 0.00 0.02 0.00 0.00 55.36 55.35 2dk6 s GLN 87 Cb -0.08 -1.99 -0.03 0.00 1.00 0.00 0.00 33.01 31.91 2dk6 s GLN 87 CO 0.39 0.03 0.11 1.03 -2.12 0.00 0.00 175.29 174.72 2dk6 s ARG 88 N 0.72 1.94 0.36 2.91 0.52 -0.83 -5.03 118.95 119.55 2dk6 s ARG 88 Ca -0.12 -2.19 0.09 0.00 -0.52 0.00 0.00 55.73 53.00 2dk6 s ARG 88 Cb -0.16 -0.75 -0.07 0.00 0.52 0.00 0.00 34.95 34.49 2dk6 s ARG 88 CO 0.02 -0.44 -0.05 -0.51 0.02 0.00 0.00 175.30 174.34 2dk6 s LEU 89 N -3.63 2.80 0.28 2.53 1.43 -1.26 -1.82 118.68 119.01 2dk6 s LEU 89 Ca 0.22 -1.23 -0.02 0.00 -1.03 0.00 0.00 54.13 52.08 2dk6 s LEU 89 Cb 0.03 -1.01 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 2dk6 s LEU 89 CO 0.13 -0.28 0.34 0.27 0.23 0.00 0.00 176.35 177.04 2dk6 s ILE 90 N -2.63 0.00 -0.15 -0.59 -4.36 -1.23 -1.09 121.20 111.15 2dk6 s ILE 90 Ca 0.33 -1.75 -0.31 0.00 -0.26 0.00 0.00 60.65 58.66 2dk6 s ILE 90 Cb 0.04 -2.49 0.13 0.00 1.25 0.00 0.00 42.46 41.40 2dk6 s ILE 90 CO 0.17 0.00 1.07 -1.59 0.24 0.00 0.00 174.94 174.84 2dk6 s LYS 91 N -3.63 0.50 -0.12 0.37 -2.85 -0.55 -4.77 119.74 108.69 2dk6 s LYS 91 Ca 0.33 -0.05 0.02 0.00 -1.00 0.00 0.00 55.97 55.27 2dk6 s LYS 91 Cb 0.02 0.23 -0.00 0.00 -2.06 0.00 0.00 37.83 36.02 2dk6 s LYS 91 CO 0.17 -0.19 -0.19 0.50 0.10 0.00 0.00 175.35 175.74 2dk6 s ARG 92 N -1.94 3.16 0.06 1.78 3.52 -1.26 -1.52 118.95 122.75 2dk6 s ARG 92 Ca 0.04 -0.80 -0.27 0.00 -0.13 0.00 0.00 55.73 54.57 2dk6 s ARG 92 Cb -0.01 -2.47 0.08 0.00 -1.56 0.00 0.00 34.95 30.99 2dk6 s ARG 92 CO -0.04 0.13 0.68 0.00 -0.81 0.00 0.00 175.30 175.26 2dk6 s ALA 93 N 0.51 -1.70 0.81 6.12 0.00 -0.18 -5.01 121.76 122.32 2dk6 s ALA 93 Ca -0.13 0.87 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 2dk6 s ALA 93 Cb -0.17 0.47 0.08 0.00 0.00 0.00 0.00 23.12 23.50 2dk6 s ALA 93 CO 0.05 -0.61 1.09 -1.25 0.00 0.00 0.00 175.76 175.04 2dk6 s PRO 94 N -2.74 1.91 0.00 0.00 0.04 -1.26 -0.15 135.00 132.81 2dk6 s PRO 94 Ca -0.02 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2dk6 s PRO 94 Cb -0.01 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2dk6 s PRO 94 CO -0.05 -1.85 0.66 1.19 0.04 0.00 0.00 177.00 176.99 2dk6 n PHE 95 N -3.65 0.00 -4.08 0.56 3.72 -1.25 -4.69 117.46 108.07 2dk6 n PHE 95 Ca 0.08 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.14 2dk6 n PHE 95 Cb 0.54 -0.46 -0.11 0.00 -0.94 0.00 0.00 39.48 38.51 2dk6 n PHE 95 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2dk6 s SER 96 N -2.27 5.29 -0.33 4.37 0.15 -1.26 -5.07 113.70 114.58 2dk6 s SER 96 Ca 0.00 -0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.64 2dk6 s SER 96 Cb 0.00 -1.90 0.10 0.00 -1.71 0.00 0.00 66.02 62.51 2dk6 s SER 96 CO 0.00 0.14 0.06 -0.44 1.20 0.00 0.00 173.24 174.19 2dk6 s SER 97 N 0.59 4.56 0.00 5.45 0.01 -1.26 -5.06 113.70 117.99 2dk6 s SER 97 Ca 0.01 -1.99 0.00 0.00 1.31 0.00 0.00 55.95 55.28 2dk6 s SER 97 Cb -0.13 -1.43 0.00 0.00 0.21 0.00 0.00 66.02 64.67 2dk6 s SER 97 CO 0.02 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2dk6 n GLY 98 N 4.41 -2.46 1.59 3.44 0.00 -1.26 -4.94 105.19 105.97 2dk6 n GLY 98 Ca 0.02 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.52 2dk6 n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dk6 n PRO 99 N -1.02 -1.99 -4.08 1.61 -0.04 -1.26 -4.97 135.00 123.24 2dk6 n PRO 99 Ca 0.00 -0.80 -0.23 0.00 -0.04 0.00 0.00 63.50 62.44 2dk6 n PRO 99 Cb 0.00 -0.75 -0.06 0.00 -0.04 0.00 0.00 33.50 32.66 2dk6 n PRO 99 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dk6 s SER 100 N -2.85 4.86 -0.20 3.54 0.01 -1.26 -5.07 113.70 112.73 2dk6 s SER 100 Ca 0.32 -0.64 -0.18 0.00 1.31 0.00 0.00 55.95 56.76 2dk6 s SER 100 Cb -0.03 -0.87 -0.15 0.00 0.21 0.00 0.00 66.02 65.18 2dk6 s SER 100 CO 0.25 -0.23 0.07 -1.20 0.41 0.00 0.00 173.24 172.54 2dk6 n SER 101 N -1.15 1.86 0.00 2.44 7.64 -1.26 -5.29 113.62 117.86 2dk6 n SER 101 Ca -0.04 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.29 2dk6 n SER 101 Cb 0.60 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 2dk6 n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64