#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk6 n SER 2 N 0.00 7.38 -0.08 1.61 3.41 -1.26 -4.49 113.62 120.18 2dk6 n SER 2 Ca 0.00 -3.62 -0.18 0.00 -0.26 0.00 0.00 58.87 54.81 2dk6 n SER 2 Cb 0.00 -1.02 -0.12 0.00 -0.26 0.00 0.00 64.21 62.80 2dk6 n SER 2 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dk6 h SER 3 N 2.11 0.01 -1.13 4.04 0.87 -2.11 -3.43 113.55 113.90 2dk6 h SER 3 Ca 0.53 -0.77 -0.29 0.00 -1.23 0.00 0.00 61.79 60.03 2dk6 h SER 3 Cb 0.70 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.67 2dk6 h SER 3 CO 1.37 1.24 1.02 -0.83 -0.53 0.00 0.00 176.83 179.10 2dk6 s GLY 4 N -4.53 -0.59 -0.11 5.77 0.00 -1.26 -4.88 107.32 101.72 2dk6 s GLY 4 Ca -0.24 -0.30 -0.29 0.00 0.00 0.00 0.00 44.72 43.89 2dk6 s GLY 4 CO 0.65 4.18 1.87 -0.45 0.00 0.00 0.00 173.10 179.34 2dk6 s SER 5 N 11.69 6.25 -0.30 1.64 0.15 -1.26 -4.94 113.70 126.93 2dk6 s SER 5 Ca 0.95 2.13 -0.02 0.00 0.70 0.00 0.00 55.95 59.71 2dk6 s SER 5 Cb -0.15 -2.53 0.19 0.00 -1.71 0.00 0.00 66.02 61.82 2dk6 s SER 5 CO 0.19 -1.29 0.62 -0.55 1.20 0.00 0.00 173.24 173.41 2dk6 s SER 6 N 5.03 -1.34 1.06 5.45 0.15 -1.26 -5.17 113.70 117.62 2dk6 s SER 6 Ca 0.84 0.89 -0.05 0.00 0.70 0.00 0.00 55.95 58.33 2dk6 s SER 6 Cb -0.34 2.15 0.08 0.00 -1.71 0.00 0.00 66.02 66.19 2dk6 s SER 6 CO 0.35 -0.25 0.29 0.61 1.20 0.00 0.00 173.24 175.44 2dk6 n GLY 7 N 5.43 -2.37 3.71 9.45 0.00 -1.26 -5.02 105.19 115.13 2dk6 n GLY 7 Ca -0.02 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.16 2dk6 n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dk6 s ASN 8 N -2.28 6.13 -0.60 1.61 -0.87 -1.26 -5.06 114.94 112.61 2dk6 s ASN 8 Ca 0.19 0.20 -0.04 0.00 -1.57 0.00 0.00 52.86 51.65 2dk6 s ASN 8 Cb -0.02 -2.07 0.16 0.00 -0.02 0.00 0.00 41.25 39.30 2dk6 s ASN 8 CO 0.14 0.17 0.42 -0.70 -2.57 0.00 0.00 177.10 174.56 2dk6 s GLU 9 N 0.40 2.53 -0.21 -0.60 2.56 -1.26 -4.87 118.70 117.25 2dk6 s GLU 9 Ca 0.07 -2.41 0.06 0.00 0.00 0.00 0.00 54.97 52.69 2dk6 s GLU 9 Cb -0.11 -3.75 -0.21 0.00 2.00 0.00 0.00 34.13 32.06 2dk6 s GLU 9 CO -0.01 -1.17 0.01 0.28 -0.56 0.00 0.00 175.26 173.81 2dk6 n VAL 10 N 3.70 1.52 -3.72 3.70 0.31 -1.26 -4.97 118.33 117.62 2dk6 n VAL 10 Ca 0.06 -0.68 -0.12 0.00 -0.01 0.00 0.00 64.34 63.60 2dk6 n VAL 10 Cb 0.39 -1.19 -0.12 0.00 -0.91 0.00 0.00 33.84 32.00 2dk6 n VAL 10 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 2dk6 s ASP 11 N -6.30 -0.36 -0.16 4.52 1.47 -1.26 -5.02 116.67 109.55 2dk6 s ASP 11 Ca -0.24 0.66 0.00 0.00 1.18 0.00 0.00 52.55 54.16 2dk6 s ASP 11 Cb 0.08 0.55 0.17 0.00 -0.34 0.00 0.00 42.92 43.38 2dk6 s ASP 11 CO 0.70 -0.17 1.61 -0.90 0.68 0.00 0.00 175.17 177.09 2dk6 n ASP 12 N 4.20 4.50 -3.57 2.11 5.75 -1.26 -4.82 116.55 123.47 2dk6 n ASP 12 Ca -0.24 -2.63 -0.15 0.00 -0.01 0.00 0.00 54.79 51.75 2dk6 n ASP 12 Cb 0.54 -0.82 -0.06 0.00 -1.03 0.00 0.00 41.12 39.75 2dk6 n ASP 12 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 2dk6 s MET 13 N -1.06 1.01 0.95 0.11 1.75 -1.26 -5.15 119.30 115.64 2dk6 s MET 13 Ca 0.18 -0.03 -0.16 0.00 -1.25 0.00 0.00 55.69 54.43 2dk6 s MET 13 Cb 0.15 0.47 -0.12 0.00 2.84 0.00 0.00 34.83 38.16 2dk6 s MET 13 CO 0.02 -0.34 -0.55 -0.40 -0.65 0.00 0.00 175.02 173.10 2dk6 n ASP 14 N 0.71 -5.20 -4.11 1.11 5.68 -1.26 -4.95 116.55 108.53 2dk6 n ASP 14 Ca -0.19 0.25 -0.33 0.00 -0.50 0.00 0.00 54.79 54.02 2dk6 n ASP 14 Cb 0.58 -0.84 -0.15 0.00 -1.14 0.00 0.00 41.12 39.58 2dk6 n ASP 14 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2dk6 s THR 15 N -2.05 2.41 -0.05 2.12 -4.23 -1.26 -5.01 115.64 107.57 2dk6 s THR 15 Ca 0.44 -1.48 -0.12 0.00 -1.18 0.00 0.00 61.69 59.35 2dk6 s THR 15 Cb -0.21 -2.37 -0.07 0.00 1.34 0.00 0.00 72.50 71.19 2dk6 s THR 15 CO 0.79 0.01 0.50 -1.28 -0.54 0.00 0.00 174.62 174.09 2dk6 h SER 16 N 7.85 -0.36 -2.19 3.99 0.87 -2.06 -3.40 113.55 118.24 2dk6 h SER 16 Ca -0.22 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.78 2dk6 h SER 16 Cb 1.06 0.09 -0.09 0.00 -0.44 0.00 0.00 62.40 63.02 2dk6 h SER 16 CO 0.50 0.09 1.09 -1.81 -0.53 0.00 0.00 176.83 176.17 2dk6 s ASP 17 N -5.07 6.22 -0.13 6.23 1.11 -1.26 -4.96 116.67 118.81 2dk6 s ASP 17 Ca -0.06 -0.65 -0.02 0.00 0.18 0.00 0.00 52.55 51.99 2dk6 s ASP 17 Cb 0.01 -2.55 0.04 0.00 1.07 0.00 0.00 42.92 41.49 2dk6 s ASP 17 CO 0.19 -1.76 0.02 -0.89 1.18 0.00 0.00 175.17 173.92 2dk6 s THR 18 N 5.49 0.38 -0.27 -1.27 2.01 -1.26 -5.12 115.64 115.59 2dk6 s THR 18 Ca 0.36 -0.15 -0.21 0.00 0.31 0.00 0.00 61.69 62.00 2dk6 s THR 18 Cb -0.07 -0.71 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 2dk6 s THR 18 CO 0.11 0.03 0.68 -1.10 -0.69 0.00 0.00 174.62 173.65 2dk6 s GLN 19 N 1.95 4.04 -0.26 4.92 -0.21 -1.26 -5.03 119.66 123.81 2dk6 s GLN 19 Ca 0.03 0.54 -0.23 0.00 0.02 0.00 0.00 55.36 55.71 2dk6 s GLN 19 Cb -0.14 -3.68 -0.01 0.00 1.00 0.00 0.00 33.01 30.18 2dk6 s GLN 19 CO -0.07 -0.51 0.77 -1.58 -2.12 0.00 0.00 175.29 171.79 2dk6 s TRP 20 N 2.64 3.28 0.49 0.91 0.52 -1.26 -1.66 118.94 123.86 2dk6 s TRP 20 Ca 0.28 0.98 0.08 0.00 0.02 0.00 0.00 56.10 57.47 2dk6 s TRP 20 Cb -0.15 -3.03 0.04 0.00 -1.15 0.00 0.00 33.47 29.18 2dk6 s TRP 20 CO 0.10 -0.41 0.60 0.20 0.02 0.00 0.00 176.95 177.45 2dk6 s GLY 21 N 1.43 1.95 0.05 0.98 0.00 0.28 -4.91 107.32 107.10 2dk6 s GLY 21 Ca 0.32 -1.84 0.08 0.00 0.00 0.00 0.00 44.72 43.28 2dk6 s GLY 21 CO 0.09 -1.65 -0.22 -0.98 0.00 0.00 0.00 173.10 170.33 2dk6 s TRP 22 N -2.54 1.93 0.13 1.90 0.52 -1.26 -2.36 118.94 117.27 2dk6 s TRP 22 Ca 0.54 -0.38 -0.03 0.00 0.02 0.00 0.00 56.10 56.25 2dk6 s TRP 22 Cb -0.06 -1.15 -0.03 0.00 -1.15 0.00 0.00 33.47 31.07 2dk6 s TRP 22 CO 0.33 0.10 0.10 -0.06 0.02 0.00 0.00 176.95 177.44 2dk6 s PHE 23 N -0.81 0.75 -0.11 -1.98 0.40 -0.56 -1.93 117.98 113.74 2dk6 s PHE 23 Ca 0.08 -1.13 -0.06 0.00 -0.60 0.00 0.00 56.93 55.23 2dk6 s PHE 23 Cb -0.09 -0.39 0.05 0.00 0.51 0.00 0.00 43.02 43.09 2dk6 s PHE 23 CO 0.02 -0.55 0.25 1.52 0.70 0.00 0.00 175.22 177.16 2dk6 s TYR 24 N -4.02 -0.34 -0.32 0.36 -0.85 -1.18 -2.46 117.35 108.54 2dk6 s TYR 24 Ca 0.22 0.80 -0.28 0.00 -0.52 0.00 0.00 57.07 57.29 2dk6 s TYR 24 Cb 0.07 0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.44 2dk6 s TYR 24 CO 0.01 -0.23 1.93 -1.17 -1.52 0.00 0.00 175.55 174.56 2dk6 s LEU 25 N 1.22 3.48 0.90 -3.49 0.20 0.70 -1.32 118.68 120.37 2dk6 s LEU 25 Ca -0.09 1.41 -0.12 0.00 0.69 0.00 0.00 54.13 56.02 2dk6 s LEU 25 Cb -0.10 -3.44 0.13 0.00 -0.43 0.00 0.00 46.19 42.35 2dk6 s LEU 25 CO -0.08 -1.84 1.10 0.00 -0.29 0.00 0.00 176.35 175.24 2dk6 s ALA 26 N 7.50 1.61 0.30 5.97 0.00 -1.01 -4.39 121.76 131.74 2dk6 s ALA 26 Ca 0.85 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.56 2dk6 s ALA 26 Cb -0.25 -3.12 0.48 0.00 0.00 0.00 0.00 23.12 20.23 2dk6 s ALA 26 CO 0.33 -2.31 1.83 1.05 0.00 0.00 0.00 175.76 176.66 2dk6 h GLU 27 N -1.51 0.67 -0.02 0.00 4.11 -1.93 -2.29 114.58 113.60 2dk6 h GLU 27 Ca -0.50 -0.15 -0.02 0.00 0.07 0.00 0.00 59.36 58.75 2dk6 h GLU 27 Cb 1.30 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2dk6 h GLU 27 CO 0.58 0.67 -0.09 0.00 0.07 0.00 0.00 179.01 180.23 2dk6 n GLY 29 N -1.23 3.29 3.74 0.00 0.00 -0.86 -5.10 105.19 105.03 2dk6 n GLY 29 Ca -0.02 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 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 4.76 -0.02 1.61 2.20 -1.26 -4.56 119.74 122.46 2dk6 s LYS 30 Ca 0.00 1.55 -0.30 0.00 -0.36 0.00 0.00 55.97 56.86 2dk6 s LYS 30 Cb 0.00 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 2dk6 s LYS 30 CO 0.00 0.35 1.09 -1.58 -0.36 0.00 0.00 175.35 174.84 2dk6 s TRP 31 N -0.78 3.47 -0.34 4.03 0.52 -1.26 -2.40 118.94 122.18 2dk6 s TRP 31 Ca 0.44 1.47 -0.10 0.00 0.02 0.00 0.00 56.10 57.94 2dk6 s TRP 31 Cb -0.27 -3.27 0.01 0.00 -1.15 0.00 0.00 33.47 28.79 2dk6 s TRP 31 CO 0.33 -0.65 0.16 -1.01 0.02 0.00 0.00 176.95 175.80 2dk6 s HIS 32 N 1.53 3.21 0.41 -1.98 3.76 -0.43 -4.85 115.29 116.94 2dk6 s HIS 32 Ca 0.54 -0.86 -0.26 0.00 -0.15 0.00 0.00 55.06 54.32 2dk6 s HIS 32 Cb -0.23 -2.37 -0.10 0.00 1.11 0.00 0.00 32.58 30.99 2dk6 s HIS 32 CO 0.25 -0.58 1.32 -0.12 -0.85 0.00 0.00 174.74 174.76 2dk6 n MET 33 N 4.96 2.07 -1.76 1.40 1.56 -1.26 -3.11 117.12 120.98 2dk6 n MET 33 Ca -0.13 0.73 -0.41 0.00 -0.27 0.00 0.00 57.70 57.62 2dk6 n MET 33 Cb 0.47 -2.44 -0.01 0.00 2.15 0.00 0.00 33.22 33.39 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 -1.18 2.72 -0.07 1.12 0.40 -0.81 -4.95 117.98 115.21 2dk6 s PHE 34 Ca 0.60 0.78 -0.16 0.00 -0.60 0.00 0.00 56.93 57.55 2dk6 s PHE 34 Cb -0.50 -4.09 0.03 0.00 0.51 0.00 0.00 43.02 38.98 2dk6 s PHE 34 CO 0.59 -3.63 0.38 -0.65 0.70 0.00 0.00 175.22 172.61 2dk6 s GLN 35 N -0.60 0.62 -0.33 0.44 -0.21 -1.25 -4.07 119.66 114.25 2dk6 s GLN 35 Ca 0.63 0.16 -0.29 0.00 0.02 0.00 0.00 55.36 55.89 2dk6 s GLN 35 Cb -0.48 0.29 -0.01 0.00 1.00 0.00 0.00 33.01 33.80 2dk6 s GLN 35 CO 0.49 -0.14 1.68 -1.25 -2.12 0.00 0.00 175.29 173.95 2dk6 s PRO 36 N -0.67 3.46 0.62 2.91 0.04 -1.26 -4.53 135.00 135.57 2dk6 s PRO 36 Ca -0.08 1.35 -0.10 0.00 0.04 0.00 0.00 61.00 62.22 2dk6 s PRO 36 Cb -0.04 -4.13 -0.02 0.00 0.04 0.00 0.00 34.50 30.35 2dk6 s PRO 36 CO 0.03 -1.70 1.00 -0.51 0.04 0.00 0.00 177.00 175.86 2dk6 s ASP 37 N 5.31 5.97 1.05 6.66 1.01 -1.26 -4.85 116.67 130.56 2dk6 s ASP 37 Ca 0.74 1.21 -0.18 0.00 0.71 0.00 0.00 52.55 55.03 2dk6 s ASP 37 Cb -0.21 -2.23 0.02 0.00 1.01 0.00 0.00 42.92 41.51 2dk6 s ASP 37 CO 0.33 -0.97 -0.21 0.35 0.21 0.00 0.00 175.17 174.89 2dk6 n THR 38 N -2.73 0.00 -0.20 -1.27 -2.24 -1.26 -3.96 114.28 102.62 2dk6 n THR 38 Ca 0.05 -0.24 -0.01 0.00 -2.27 0.00 0.00 64.05 61.58 2dk6 n THR 38 Cb 0.55 -0.46 0.10 0.00 -2.10 0.00 0.00 70.33 68.43 2dk6 n THR 38 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 2dk6 h ASN 39 N -1.67 0.30 -0.34 3.42 -0.73 -1.96 1.40 115.58 115.99 2dk6 h ASN 39 Ca -0.48 0.06 0.06 0.00 1.87 0.00 0.00 56.30 57.82 2dk6 h ASN 39 Cb 1.34 0.02 -0.08 0.00 0.27 0.00 0.00 38.32 39.87 2dk6 h ASN 39 CO 0.33 0.18 -0.42 -1.28 -0.37 0.00 0.00 177.43 175.87 2dk6 h SER 40 N 0.46 -1.39 -0.94 1.15 0.87 -1.93 -2.64 113.55 109.13 2dk6 h SER 40 Ca 0.30 0.21 -0.59 0.00 -1.23 0.00 0.00 61.79 60.48 2dk6 h SER 40 Cb 0.33 0.60 -0.40 0.00 -0.44 0.00 0.00 62.40 62.49 2dk6 h SER 40 CO -0.27 -0.38 -0.44 0.00 -0.53 0.00 0.00 176.83 175.21 2dk6 n GLN 41 N -5.42 3.40 -1.65 2.24 6.02 -0.98 -4.32 117.38 116.67 2dk6 n GLN 41 Ca -0.01 -4.04 -0.60 0.00 -0.01 0.00 0.00 57.00 52.34 2dk6 n GLN 41 Cb 0.35 -2.28 -0.08 0.00 1.02 0.00 0.00 30.24 29.25 2dk6 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dk6 s SER 43 N 1.97 4.48 -0.08 0.00 0.01 -1.26 -4.31 113.70 114.52 2dk6 s SER 43 Ca 0.96 -1.32 -0.19 0.00 1.31 0.00 0.00 55.95 56.71 2dk6 s SER 43 Cb -1.23 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 65.26 2dk6 s SER 43 CO 0.65 -0.95 0.52 0.68 0.41 0.00 0.00 173.24 174.55 2dk6 s VAL 44 N -2.77 5.11 0.29 3.43 -7.23 -1.26 -4.30 120.40 113.67 2dk6 s VAL 44 Ca 0.28 1.07 -0.06 0.00 -1.81 0.00 0.00 61.98 61.46 2dk6 s VAL 44 Cb -0.00 -3.86 -0.05 0.00 0.56 0.00 0.00 36.38 33.02 2dk6 s VAL 44 CO 0.17 0.35 0.57 -0.44 -0.31 0.00 0.00 175.10 175.43 2dk6 s SER 45 N 0.38 6.46 0.26 4.85 0.01 -1.26 -3.94 113.70 120.46 2dk6 s SER 45 Ca 0.28 0.76 0.13 0.00 1.31 0.00 0.00 55.95 58.43 2dk6 s SER 45 Cb -0.16 -2.16 0.90 0.00 0.21 0.00 0.00 66.02 64.80 2dk6 s SER 45 CO 0.13 -0.20 1.13 -1.54 0.41 0.00 0.00 173.24 173.17 2dk6 n SER 46 N -0.88 0.19 0.35 2.44 3.41 -1.26 0.82 113.62 118.69 2dk6 n SER 46 Ca -0.01 1.19 -0.18 0.00 -0.26 0.00 0.00 58.87 59.61 2dk6 n SER 46 Cb 0.54 -0.56 -0.09 0.00 -0.26 0.00 0.00 64.21 63.84 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 -0.97 -0.72 4.33 4.57 -1.94 0.44 114.58 120.29 2dk6 h GLU 47 Ca 0.58 0.07 0.13 0.00 -1.18 0.00 0.00 59.36 58.96 2dk6 h GLU 47 Cb 1.49 0.22 -0.13 0.00 -0.16 0.00 0.00 28.75 30.17 2dk6 h GLU 47 CO -0.57 -0.65 -0.29 -0.44 -1.18 0.00 0.00 179.01 175.87 2dk6 h ASP 48 N -1.01 -1.05 0.35 1.04 5.19 0.05 0.35 116.42 121.34 2dk6 h ASP 48 Ca -0.08 0.24 -0.02 0.00 -0.62 0.00 0.00 57.03 56.56 2dk6 h ASP 48 Cb 0.84 0.57 0.00 0.00 0.18 0.00 0.00 39.33 40.92 2dk6 h ASP 48 CO 0.04 -0.29 -0.17 0.40 -3.12 0.00 0.00 179.24 176.11 2dk6 h ILE 49 N -0.08 0.00 -1.56 0.35 5.03 -1.31 -3.04 117.51 116.90 2dk6 h ILE 49 Ca 0.30 -0.16 0.48 0.00 -0.12 0.00 0.00 64.86 65.35 2dk6 h ILE 49 Cb 0.56 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 34.25 2dk6 h ILE 49 CO -0.77 0.00 1.07 1.05 -0.68 0.00 0.00 178.15 178.82 2dk6 h GLU 50 N -0.64 0.04 0.91 2.37 4.11 0.17 0.15 114.58 121.69 2dk6 h GLU 50 Ca -0.05 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.33 2dk6 h GLU 50 Cb 0.36 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.61 2dk6 h GLU 50 CO 0.08 0.03 -0.44 -0.22 0.07 0.00 0.00 179.01 178.53 2dk6 h LYS 51 N 0.04 -1.18 -0.92 1.06 3.64 -0.22 0.16 116.57 119.15 2dk6 h LYS 51 Ca 0.84 0.08 0.03 0.00 -1.27 0.00 0.00 60.65 60.34 2dk6 h LYS 51 Cb 3.01 0.27 -0.05 0.00 -0.41 0.00 0.00 32.23 35.04 2dk6 h LYS 51 CO -0.23 -0.78 0.59 0.77 -2.27 0.00 0.00 179.45 177.53 2dk6 h SER 52 N -1.29 0.99 0.24 4.20 0.02 -0.66 -2.56 113.55 114.48 2dk6 h SER 52 Ca -0.12 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 2dk6 h SER 52 Cb 0.94 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2dk6 h SER 52 CO 0.20 0.68 -0.11 0.15 -1.14 0.00 0.00 176.83 176.61 2dk6 h PHE 53 N 1.15 -0.30 -0.13 3.45 3.04 -1.11 -0.62 116.94 122.42 2dk6 h PHE 53 Ca 0.37 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.34 2dk6 h PHE 53 Cb 0.00 0.10 -0.06 0.00 2.56 0.00 0.00 35.95 38.55 2dk6 h PHE 53 CO -0.01 -0.14 -0.54 0.87 -2.02 0.00 0.00 178.31 176.48 2dk6 h LYS 54 N -0.39 -0.55 -0.77 1.11 1.57 -0.40 -0.80 116.57 116.34 2dk6 h LYS 54 Ca -0.03 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 2dk6 h LYS 54 Cb 0.30 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.66 2dk6 h LYS 54 CO 0.05 -0.37 0.44 0.00 -0.57 0.00 0.00 179.45 179.00 2dk6 h THR 55 N -0.57 0.93 -3.03 -0.16 1.03 -1.46 -3.38 112.91 106.27 2dk6 h THR 55 Ca 0.03 -0.26 -0.52 0.00 -0.01 0.00 0.00 66.41 65.65 2dk6 h THR 55 Cb 0.67 0.10 -0.40 0.00 -1.07 0.00 0.00 68.15 67.45 2dk6 h THR 55 CO -0.43 0.14 -0.76 0.21 -0.01 0.00 0.00 175.52 174.66 2dk6 s ASN 56 N -5.61 3.15 0.55 0.00 2.47 -0.25 -4.99 114.94 110.26 2dk6 s ASN 56 Ca -0.13 -1.05 0.34 0.00 0.42 0.00 0.00 52.86 52.44 2dk6 s ASN 56 Cb 0.18 -0.46 1.40 0.00 -1.45 0.00 0.00 41.25 40.92 2dk6 s ASN 56 CO 0.77 -0.38 2.00 1.55 -3.72 0.00 0.00 177.10 177.32 2dk6 h PRO 57 N 8.32 0.00 -0.90 0.43 0.13 -1.38 -3.05 132.00 135.55 2dk6 h PRO 57 Ca -0.17 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.38 2dk6 h PRO 57 Cb 1.07 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.81 2dk6 h PRO 57 CO 0.38 0.01 -0.44 0.00 -0.23 0.00 0.00 178.00 177.72 2dk6 n GLY 59 N -0.72 5.17 3.23 0.00 0.00 -1.15 -4.53 105.19 107.19 2dk6 n GLY 59 Ca 0.47 -2.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.43 0.51 -0.08 1.61 1.04 -1.26 -0.48 113.70 114.61 2dk6 s SER 60 Ca 0.00 -1.37 -0.03 0.00 0.48 0.00 0.00 55.95 55.04 2dk6 s SER 60 Cb 0.00 0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.46 2dk6 s SER 60 CO 0.00 -0.79 0.08 -0.51 0.98 0.00 0.00 173.24 173.00 2dk6 s ILE 61 N -4.01 -0.13 -0.03 -1.02 2.07 -0.76 -4.98 121.20 112.34 2dk6 s ILE 61 Ca 0.37 0.28 -0.05 0.00 -1.41 0.00 0.00 60.65 59.85 2dk6 s ILE 61 Cb 0.07 -0.27 -0.04 0.00 0.13 0.00 0.00 42.46 42.35 2dk6 s ILE 61 CO 0.11 0.07 0.19 -0.55 -1.91 0.00 0.00 174.94 172.86 2dk6 s SER 62 N 2.18 6.41 0.22 4.50 0.15 -1.26 -2.32 113.70 123.58 2dk6 s SER 62 Ca 0.04 0.43 -0.22 0.00 0.70 0.00 0.00 55.95 56.90 2dk6 s SER 62 Cb -0.13 -2.04 0.06 0.00 -1.71 0.00 0.00 66.02 62.20 2dk6 s SER 62 CO -0.05 0.29 0.92 0.72 1.20 0.00 0.00 173.24 176.32 2dk6 s PHE 63 N -1.25 -0.04 0.03 3.44 -0.12 -1.14 -5.06 117.98 113.84 2dk6 s PHE 63 Ca 0.25 -0.38 -0.04 0.00 -0.05 0.00 0.00 56.93 56.71 2dk6 s PHE 63 Cb -0.13 0.70 -0.02 0.00 -0.63 0.00 0.00 43.02 42.95 2dk6 s PHE 63 CO 0.15 -1.04 0.05 0.95 -0.05 0.00 0.00 175.22 175.27 2dk6 s THR 64 N -2.90 0.14 0.00 -4.49 -4.23 -1.26 -2.73 115.64 100.16 2dk6 s THR 64 Ca 0.15 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 2dk6 s THR 64 Cb -0.03 -0.78 0.00 0.00 1.34 0.00 0.00 72.50 73.03 2dk6 s THR 64 CO 0.05 -0.62 0.00 0.35 -0.54 0.00 0.00 174.62 173.87 2dk6 n THR 65 N 0.95 0.00 0.00 3.99 -2.24 -1.24 -4.85 114.28 110.89 2dk6 n THR 65 Ca -0.20 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2dk6 n THR 65 Cb 0.58 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 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 -1.95 0.00 -0.89 3.42 2.88 -1.26 -4.28 113.62 111.54 2dk6 n SER 66 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 2dk6 n SER 66 Cb 0.00 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 63.59 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 -2.12 0.91 -4.22 -1.46 2.85 -1.26 -5.07 118.16 107.80 2dk6 n LYS 67 Ca 0.00 -2.67 -0.15 0.00 -1.05 0.00 0.00 58.31 54.44 2dk6 n LYS 67 Cb 0.00 -0.97 -0.09 0.00 -0.65 0.00 0.00 35.03 33.32 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 -1.88 1.37 0.11 5.58 0.08 -1.26 -5.09 117.98 116.90 2dk6 s PHE 68 Ca 0.34 -1.47 0.05 0.00 0.12 0.00 0.00 56.93 55.97 2dk6 s PHE 68 Cb 0.35 -0.59 -0.04 0.00 -0.57 0.00 0.00 43.02 42.18 2dk6 s PHE 68 CO -0.10 -0.75 -0.12 -1.12 -0.10 0.00 0.00 175.22 173.03 2dk6 s SER 69 N -3.24 1.70 -0.17 1.36 0.01 -1.26 -3.62 113.70 108.47 2dk6 s SER 69 Ca 0.39 -0.84 -0.10 0.00 1.31 0.00 0.00 55.95 56.71 2dk6 s SER 69 Cb 0.05 -0.02 0.06 0.00 0.21 0.00 0.00 66.02 66.31 2dk6 s SER 69 CO 0.18 -0.23 0.42 -0.31 0.41 0.00 0.00 173.24 173.72 2dk6 s TYR 70 N -2.44 -0.61 -0.19 2.43 2.02 -1.10 -3.41 117.35 114.04 2dk6 s TYR 70 Ca 0.08 1.30 0.01 0.00 -0.37 0.00 0.00 57.07 58.10 2dk6 s TYR 70 Cb -0.03 0.27 0.03 0.00 -0.40 0.00 0.00 41.96 41.83 2dk6 s TYR 70 CO 0.01 -0.34 -0.16 0.21 -1.57 0.00 0.00 175.55 173.70 2dk6 s LYS 71 N 1.29 2.60 -0.39 -0.62 2.20 -0.57 -2.91 119.74 121.35 2dk6 s LYS 71 Ca -0.09 -0.88 -0.13 0.00 -0.36 0.00 0.00 55.97 54.51 2dk6 s LYS 71 Cb -0.08 -2.53 0.02 0.00 -1.51 0.00 0.00 37.83 33.73 2dk6 s LYS 71 CO -0.12 -0.31 0.26 0.42 -0.36 0.00 0.00 175.35 175.24 2dk6 s ILE 72 N 1.31 5.01 -0.14 5.43 1.01 -0.98 0.11 121.20 132.95 2dk6 s ILE 72 Ca 0.02 -0.68 -0.18 0.00 0.00 0.00 0.00 60.65 59.81 2dk6 s ILE 72 Cb -0.15 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2dk6 s ILE 72 CO -0.11 -0.25 0.46 -1.81 0.00 0.00 0.00 174.94 173.24 2dk6 s ASP 73 N 1.64 6.62 -0.17 3.58 1.01 -0.80 -1.82 116.67 126.73 2dk6 s ASP 73 Ca 0.04 0.74 -0.24 0.00 0.71 0.00 0.00 52.55 53.80 2dk6 s ASP 73 Cb -0.19 -2.27 -0.23 0.00 1.01 0.00 0.00 42.92 41.24 2dk6 s ASP 73 CO 0.09 -0.03 0.47 -0.26 0.21 0.00 0.00 175.17 175.64 2dk6 h PHE 74 N 6.90 0.05 -0.92 4.23 0.04 -1.03 -2.46 116.94 123.75 2dk6 h PHE 74 Ca -0.39 -0.03 0.19 0.00 2.80 0.00 0.00 57.97 60.54 2dk6 h PHE 74 Cb 1.17 -0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.25 2dk6 h PHE 74 CO 0.64 1.31 0.60 0.00 -0.60 0.00 0.00 178.31 180.25 2dk6 h ALA 75 N -0.25 2.05 0.00 2.45 0.00 -1.56 0.57 119.26 122.51 2dk6 h ALA 75 Ca -0.21 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2dk6 h ALA 75 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2dk6 h ALA 75 CO -0.10 -0.35 -0.33 0.39 0.00 0.00 0.00 179.25 178.86 2dk6 n GLU 76 N -4.56 0.01 -3.75 0.00 1.02 -1.26 -4.95 120.64 107.16 2dk6 n GLU 76 Ca 0.20 0.01 -0.25 0.00 -0.02 0.00 0.00 57.16 57.09 2dk6 n GLU 76 Cb 0.64 -1.51 0.04 0.00 -0.02 0.00 0.00 31.44 30.60 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 -1.53 -5.86 -3.64 3.49 2.81 0.20 -4.97 117.12 107.62 2dk6 n MET 77 Ca 0.06 0.67 -0.10 0.00 -1.81 0.00 0.00 57.70 56.52 2dk6 n MET 77 Cb 0.34 -5.49 -0.02 0.00 -0.71 0.00 0.00 33.22 27.34 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 -6.25 1.51 -0.25 0.03 -2.85 -0.94 -3.60 119.74 107.39 2dk6 s LYS 78 Ca 0.38 -0.74 -0.11 0.00 -1.00 0.00 0.00 55.97 54.51 2dk6 s LYS 78 Cb -0.19 0.59 -0.05 0.00 -2.06 0.00 0.00 37.83 36.13 2dk6 s LYS 78 CO 0.80 -0.67 0.17 -1.14 0.10 0.00 0.00 175.35 174.60 2dk6 s GLN 79 N -3.84 4.03 -0.31 1.78 0.74 0.11 -1.91 119.66 120.27 2dk6 s GLN 79 Ca 0.06 -0.29 -0.20 0.00 0.05 0.00 0.00 55.36 54.99 2dk6 s GLN 79 Cb -0.03 -3.57 -0.01 0.00 1.10 0.00 0.00 33.01 30.50 2dk6 s GLN 79 CO -0.03 -0.01 0.60 1.41 -0.55 0.00 0.00 175.29 176.71 2dk6 s MET 80 N 1.25 3.84 0.15 1.67 -2.45 0.31 -2.85 119.30 121.22 2dk6 s MET 80 Ca 0.07 0.19 -0.20 0.00 -1.25 0.00 0.00 55.69 54.50 2dk6 s MET 80 Cb -0.14 -3.74 -0.07 0.00 1.25 0.00 0.00 34.83 32.12 2dk6 s MET 80 CO 0.06 -0.58 0.66 1.21 1.05 0.00 0.00 175.02 177.43 2dk6 s ASN 81 N 1.67 7.12 0.00 1.11 2.47 -1.10 -1.51 114.94 124.71 2dk6 s ASN 81 Ca 0.23 1.38 0.00 0.00 0.42 0.00 0.00 52.86 54.90 2dk6 s ASN 81 Cb -0.15 -2.40 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 2dk6 s ASN 81 CO 0.12 0.17 0.00 0.18 -3.72 0.00 0.00 177.10 173.85 2dk6 n LEU 82 N 1.29 0.11 -0.15 3.21 7.99 -1.25 -3.79 117.00 124.41 2dk6 n LEU 82 Ca -0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.91 2dk6 n LEU 82 Cb 0.50 0.00 0.05 0.00 -0.11 0.00 0.00 43.42 43.86 2dk6 n LEU 82 CO 0.43 0.01 0.86 0.00 -1.51 0.00 0.00 177.39 177.18 2dk6 h THR 83 N 0.00 0.67 0.00 -5.08 1.03 -1.93 -3.16 112.91 104.43 2dk6 h THR 83 Ca 0.00 -0.05 -0.17 0.00 -0.01 0.00 0.00 66.41 66.19 2dk6 h THR 83 Cb 0.97 0.51 -0.03 0.00 -1.07 0.00 0.00 68.15 68.53 2dk6 h THR 83 CO 0.00 0.03 -1.92 0.35 -0.01 0.00 0.00 175.52 173.96 2dk6 n THR 84 N -5.19 0.62 -0.82 0.00 -2.24 -1.26 -5.00 114.28 100.39 2dk6 n THR 84 Ca 0.05 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2dk6 n THR 84 Cb 0.24 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 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 1.86 0.55 3.81 3.38 0.00 -1.20 -5.05 105.19 108.55 2dk6 n GLY 85 Ca -0.16 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.72 0.40 -0.00 1.61 3.01 -1.26 -4.80 119.74 117.97 2dk6 s LYS 86 Ca 0.00 -0.10 0.07 0.00 -1.01 0.00 0.00 55.97 54.92 2dk6 s LYS 86 Cb 0.00 -1.79 -0.02 0.00 -1.01 0.00 0.00 37.83 35.01 2dk6 s LYS 86 CO 0.00 -2.63 -0.21 1.14 0.51 0.00 0.00 175.35 174.16 2dk6 s GLN 87 N -5.59 1.66 0.05 1.68 0.00 -1.26 -2.69 119.66 113.51 2dk6 s GLN 87 Ca 0.70 -0.82 -0.09 0.00 -0.00 0.00 0.00 55.36 55.15 2dk6 s GLN 87 Cb -0.09 -1.65 0.00 0.00 0.00 0.00 0.00 33.01 31.27 2dk6 s GLN 87 CO 0.54 0.45 0.19 1.03 0.00 0.00 0.00 175.29 177.50 2dk6 s ARG 88 N -0.67 0.72 0.20 9.60 0.52 -1.13 -5.03 118.95 123.15 2dk6 s ARG 88 Ca 0.08 -0.68 0.05 0.00 -0.52 0.00 0.00 55.73 54.66 2dk6 s ARG 88 Cb -0.08 0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.65 2dk6 s ARG 88 CO -0.00 -0.21 0.20 -0.51 0.02 0.00 0.00 175.30 174.80 2dk6 s LEU 89 N -2.21 3.93 0.04 2.53 2.01 -1.26 0.09 118.68 123.82 2dk6 s LEU 89 Ca -0.04 -0.11 0.04 0.00 0.01 0.00 0.00 54.13 54.03 2dk6 s LEU 89 Cb -0.00 -2.50 -0.02 0.00 0.01 0.00 0.00 46.19 43.68 2dk6 s LEU 89 CO -0.05 0.01 -0.11 0.27 1.01 0.00 0.00 176.35 177.48 2dk6 s ILE 90 N -1.92 0.86 0.00 -0.59 -4.36 -1.24 -0.21 121.20 113.74 2dk6 s ILE 90 Ca 0.32 -0.96 0.01 0.00 -0.26 0.00 0.00 60.65 59.76 2dk6 s ILE 90 Cb -0.09 -0.82 -0.00 0.00 1.25 0.00 0.00 42.46 42.80 2dk6 s ILE 90 CO 0.25 -0.12 -0.03 -1.59 0.24 0.00 0.00 174.94 173.69 2dk6 s LYS 91 N -1.21 0.21 -0.43 0.37 -2.85 -1.03 -4.70 119.74 110.11 2dk6 s LYS 91 Ca -0.02 -0.13 -0.06 0.00 -1.00 0.00 0.00 55.97 54.77 2dk6 s LYS 91 Cb -0.08 -0.19 0.11 0.00 -2.06 0.00 0.00 37.83 35.61 2dk6 s LYS 91 CO 0.01 0.05 0.25 0.50 0.10 0.00 0.00 175.35 176.26 2dk6 s ARG 92 N -0.15 2.23 0.13 1.78 3.52 -1.26 -1.50 118.95 123.69 2dk6 s ARG 92 Ca 0.00 -1.76 0.08 0.00 -0.13 0.00 0.00 55.73 53.92 2dk6 s ARG 92 Cb -0.02 -3.71 -0.04 0.00 -1.56 0.00 0.00 34.95 29.62 2dk6 s ARG 92 CO -0.00 -1.10 -0.18 0.00 -0.81 0.00 0.00 175.30 173.21 2dk6 s ALA 93 N 1.24 1.78 0.52 6.12 0.00 -0.99 -4.89 121.76 125.54 2dk6 s ALA 93 Ca 0.07 -1.32 -0.20 0.00 0.00 0.00 0.00 51.96 50.50 2dk6 s ALA 93 Cb -0.24 -0.18 -0.06 0.00 0.00 0.00 0.00 23.12 22.63 2dk6 s ALA 93 CO -0.02 0.26 1.14 -1.25 0.00 0.00 0.00 175.76 175.88 2dk6 s PRO 94 N -2.34 3.44 -0.80 0.00 0.04 -1.26 -0.56 135.00 133.52 2dk6 s PRO 94 Ca 0.10 1.65 -0.25 0.00 0.04 0.00 0.00 61.00 62.53 2dk6 s PRO 94 Cb -0.08 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 2dk6 s PRO 94 CO 0.05 -0.78 2.00 -0.06 0.04 0.00 0.00 177.00 178.25 2dk6 s PHE 95 N -1.72 1.66 -0.29 0.56 0.08 -0.67 -4.76 117.98 112.84 2dk6 s PHE 95 Ca 0.71 0.86 -0.00 0.00 0.12 0.00 0.00 56.93 58.62 2dk6 s PHE 95 Cb -0.25 -3.97 0.09 0.00 -0.57 0.00 0.00 43.02 38.33 2dk6 s PHE 95 CO 0.29 -1.90 0.07 -1.54 -0.10 0.00 0.00 175.22 172.04 2dk6 s SER 96 N 8.56 3.95 -0.54 1.36 1.04 -1.26 -4.93 113.70 121.88 2dk6 s SER 96 Ca 0.73 -1.55 0.04 0.00 0.48 0.00 0.00 55.95 55.65 2dk6 s SER 96 Cb -0.09 -0.94 0.15 0.00 0.10 0.00 0.00 66.02 65.24 2dk6 s SER 96 CO 0.07 -0.38 0.34 -0.44 0.98 0.00 0.00 173.24 173.80 2dk6 s SER 97 N 1.55 3.93 0.00 7.02 0.01 -1.26 -5.08 113.70 119.88 2dk6 s SER 97 Ca 0.07 -3.16 0.00 0.00 1.31 0.00 0.00 55.95 54.17 2dk6 s SER 97 Cb -0.18 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 64.75 2dk6 s SER 97 CO -0.20 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2dk6 n GLY 98 N 2.86 -2.05 3.61 3.44 0.00 -1.26 -4.95 105.19 106.85 2dk6 n GLY 98 Ca 0.14 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 2dk6 n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk6 s PRO 99 N 0.00 -0.80 0.09 1.61 0.04 -1.26 -5.07 135.00 129.62 2dk6 s PRO 99 Ca 0.00 0.09 0.04 0.00 0.04 0.00 0.00 61.00 61.17 2dk6 s PRO 99 Cb 0.00 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.87 2dk6 s PRO 99 CO 0.00 -3.46 -0.11 -1.54 0.04 0.00 0.00 177.00 171.93 2dk6 s SER 100 N -3.77 1.48 0.37 6.66 1.04 -1.26 -5.12 113.70 113.11 2dk6 s SER 100 Ca 0.69 -0.75 -0.16 0.00 0.48 0.00 0.00 55.95 56.22 2dk6 s SER 100 Cb -0.12 -0.01 -0.12 0.00 0.10 0.00 0.00 66.02 65.87 2dk6 s SER 100 CO 0.56 -0.21 -0.03 -1.20 0.98 0.00 0.00 173.24 173.35 2dk6 n SER 101 N 0.77 -2.66 -0.86 7.02 7.64 -1.26 -5.21 113.62 119.05 2dk6 n SER 101 Ca -0.18 0.58 0.12 0.00 1.01 0.00 0.00 58.87 60.41 2dk6 n SER 101 Cb 0.57 -0.69 0.19 0.00 -1.01 0.00 0.00 64.21 63.26 2dk6 n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64