#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 -0.14 0.26 1.61 1.04 -1.26 -5.16 113.70 110.05 2dk6 s SER 2 Ca 0.00 0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.78 2dk6 s SER 2 Cb 0.00 0.24 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 2dk6 s SER 2 CO 0.00 -0.12 0.04 -0.44 0.98 0.00 0.00 173.24 173.69 2dk6 s SER 3 N 0.87 1.81 0.00 7.02 0.01 -1.26 -5.09 113.70 117.05 2dk6 s SER 3 Ca -0.07 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 55.90 2dk6 s SER 3 Cb -0.08 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2dk6 s SER 3 CO -0.04 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.63 2dk6 n GLY 4 N -0.49 1.47 3.09 3.44 0.00 -1.26 -5.14 105.19 106.29 2dk6 n GLY 4 Ca -0.03 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 2dk6 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk6 s SER 5 N 0.00 -0.24 -0.19 1.61 1.04 -1.26 -5.14 113.70 109.52 2dk6 s SER 5 Ca 0.00 0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.91 2dk6 s SER 5 Cb 0.00 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.59 2dk6 s SER 5 CO 0.00 -0.10 -0.15 -0.44 0.98 0.00 0.00 173.24 173.53 2dk6 s SER 6 N 0.46 3.36 -0.12 7.02 0.01 -1.26 -5.09 113.70 118.07 2dk6 s SER 6 Ca -0.03 -0.82 -0.04 0.00 1.31 0.00 0.00 55.95 56.37 2dk6 s SER 6 Cb -0.04 -1.37 0.05 0.00 0.21 0.00 0.00 66.02 64.87 2dk6 s SER 6 CO -0.02 -0.08 0.07 -0.83 0.41 0.00 0.00 173.24 172.79 2dk6 s GLY 7 N 1.32 0.32 0.74 3.44 0.00 -1.26 -5.15 107.32 106.73 2dk6 s GLY 7 Ca 0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 44.72 44.48 2dk6 s GLY 7 CO -0.10 1.58 1.10 -1.31 0.00 0.00 0.00 173.10 174.37 2dk6 s ASN 8 N 2.13 5.15 -0.23 1.64 -0.87 -1.26 -5.05 114.94 116.45 2dk6 s ASN 8 Ca 0.03 1.15 -0.06 0.00 -1.57 0.00 0.00 52.86 52.41 2dk6 s ASN 8 Cb -0.14 -1.91 -0.03 0.00 -0.02 0.00 0.00 41.25 39.15 2dk6 s ASN 8 CO -0.07 -1.53 0.04 -1.61 -2.57 0.00 0.00 177.10 171.36 2dk6 s GLU 9 N -5.33 3.64 -0.35 -0.60 8.01 -1.26 -5.06 118.70 117.75 2dk6 s GLU 9 Ca 0.59 -0.50 0.01 0.00 0.01 0.00 0.00 54.97 55.09 2dk6 s GLU 9 Cb -0.12 -3.21 0.11 0.00 -4.31 0.00 0.00 34.13 26.60 2dk6 s GLU 9 CO 0.52 -0.09 0.11 0.08 0.01 0.00 0.00 175.26 175.89 2dk6 s VAL 10 N 1.32 1.46 0.36 2.63 1.01 -1.26 -5.11 120.40 120.80 2dk6 s VAL 10 Ca 0.04 -1.94 0.07 0.00 0.00 0.00 0.00 61.98 60.15 2dk6 s VAL 10 Cb -0.15 -2.08 -0.07 0.00 0.00 0.00 0.00 36.38 34.09 2dk6 s VAL 10 CO 0.02 -0.69 -0.01 -1.81 0.00 0.00 0.00 175.10 172.61 2dk6 s ASP 11 N 1.13 3.30 0.25 3.32 1.11 -1.26 -5.06 116.67 119.47 2dk6 s ASP 11 Ca 0.12 -1.31 -0.15 0.00 0.18 0.00 0.00 52.55 51.39 2dk6 s ASP 11 Cb -0.19 -0.28 0.00 0.00 1.07 0.00 0.00 42.92 43.52 2dk6 s ASP 11 CO -0.15 -0.42 0.53 -0.62 1.18 0.00 0.00 175.17 175.69 2dk6 s ASP 12 N -3.59 -0.13 0.60 0.27 2.15 -1.26 -4.71 116.67 110.00 2dk6 s ASP 12 Ca 0.34 -0.85 -0.17 0.00 0.43 0.00 0.00 52.55 52.30 2dk6 s ASP 12 Cb 0.07 0.62 -0.14 0.00 -0.30 0.00 0.00 42.92 43.16 2dk6 s ASP 12 CO 0.16 -1.18 -0.28 0.80 -0.17 0.00 0.00 175.17 174.50 2dk6 n MET 13 N -0.40 0.00 -3.03 4.34 0.00 -1.26 -4.87 117.12 111.90 2dk6 n MET 13 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.28 2dk6 n MET 13 Cb 0.61 -0.97 -0.05 0.00 0.00 0.00 0.00 33.22 32.82 2dk6 n MET 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2dk6 s ASP 14 N -0.97 7.01 0.12 6.12 1.11 -1.26 -5.06 116.67 123.74 2dk6 s ASP 14 Ca 0.51 1.22 0.06 0.00 0.18 0.00 0.00 52.55 54.52 2dk6 s ASP 14 Cb -0.41 -2.42 -0.04 0.00 1.07 0.00 0.00 42.92 41.13 2dk6 s ASP 14 CO 0.68 -0.11 -0.14 0.42 1.18 0.00 0.00 175.17 177.19 2dk6 s THR 15 N 0.76 1.34 -0.14 -1.27 -4.23 -1.26 -5.08 115.64 105.75 2dk6 s THR 15 Ca 0.38 -1.69 -0.14 0.00 -1.18 0.00 0.00 61.69 59.07 2dk6 s THR 15 Cb -0.18 -1.51 -0.11 0.00 1.34 0.00 0.00 72.50 72.04 2dk6 s THR 15 CO 0.19 -0.39 0.19 0.28 -0.54 0.00 0.00 174.62 174.34 2dk6 h SER 16 N 3.58 0.00 -3.35 3.99 0.02 -2.05 -3.44 113.55 112.30 2dk6 h SER 16 Ca -0.40 -0.35 -0.57 0.00 -0.84 0.00 0.00 61.79 59.63 2dk6 h SER 16 Cb 1.20 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.68 2dk6 h SER 16 CO 0.50 0.89 0.91 -1.81 -1.14 0.00 0.00 176.83 176.18 2dk6 s ASP 17 N -6.03 6.76 -0.21 3.07 1.01 -1.26 -4.99 116.67 115.02 2dk6 s ASP 17 Ca -0.14 0.96 -0.13 0.00 0.71 0.00 0.00 52.55 53.95 2dk6 s ASP 17 Cb 0.01 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.46 2dk6 s ASP 17 CO 0.34 -1.05 0.52 -0.89 0.21 0.00 0.00 175.17 174.30 2dk6 s THR 18 N 4.14 -0.01 -0.08 -1.27 2.01 -1.26 -5.14 115.64 114.03 2dk6 s THR 18 Ca 0.50 0.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.25 2dk6 s THR 18 Cb -0.12 -0.75 -0.02 0.00 0.01 0.00 0.00 72.50 71.62 2dk6 s THR 18 CO 0.22 0.02 1.03 -1.10 -0.69 0.00 0.00 174.62 174.10 2dk6 s GLN 19 N 1.25 4.44 -0.31 4.92 -0.21 -1.26 -5.02 119.66 123.47 2dk6 s GLN 19 Ca -0.08 1.44 -0.11 0.00 0.02 0.00 0.00 55.36 56.62 2dk6 s GLN 19 Cb -0.06 -3.52 -0.02 0.00 1.00 0.00 0.00 33.01 30.40 2dk6 s GLN 19 CO -0.12 -0.28 0.20 -1.58 -2.12 0.00 0.00 175.29 171.39 2dk6 s TRP 20 N 1.82 3.21 0.12 0.91 0.52 -1.26 -2.86 118.94 121.40 2dk6 s TRP 20 Ca 0.50 -0.22 -0.01 0.00 0.02 0.00 0.00 56.10 56.39 2dk6 s TRP 20 Cb -0.20 -2.41 -0.04 0.00 -1.15 0.00 0.00 33.47 29.67 2dk6 s TRP 20 CO 0.21 -0.33 0.30 0.20 0.02 0.00 0.00 176.95 177.35 2dk6 s GLY 21 N 1.70 2.06 -0.08 0.98 0.00 0.10 -4.89 107.32 107.20 2dk6 s GLY 21 Ca 0.06 -0.79 -0.01 0.00 0.00 0.00 0.00 44.72 43.98 2dk6 s GLY 21 CO 0.09 -0.75 -0.02 -0.98 0.00 0.00 0.00 173.10 171.45 2dk6 s TRP 22 N -1.65 3.11 0.02 1.90 0.52 -1.26 -0.81 118.94 120.76 2dk6 s TRP 22 Ca 0.37 0.15 -0.02 0.00 0.02 0.00 0.00 56.10 56.62 2dk6 s TRP 22 Cb -0.12 -1.77 -0.01 0.00 -1.15 0.00 0.00 33.47 30.42 2dk6 s TRP 22 CO 0.27 0.44 0.02 -0.06 0.02 0.00 0.00 176.95 177.64 2dk6 s PHE 23 N -0.87 0.21 0.02 -1.98 0.40 0.05 -0.29 117.98 115.53 2dk6 s PHE 23 Ca 0.13 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 2dk6 s PHE 23 Cb -0.11 -0.16 -0.02 0.00 0.51 0.00 0.00 43.02 43.24 2dk6 s PHE 23 CO 0.02 -0.23 -0.05 1.52 0.70 0.00 0.00 175.22 177.18 2dk6 s TYR 24 N -1.62 0.42 -0.27 0.36 -0.85 -1.13 0.09 117.35 114.34 2dk6 s TYR 24 Ca -0.14 -0.40 -0.29 0.00 -0.52 0.00 0.00 57.07 55.72 2dk6 s TYR 24 Cb -0.08 -0.27 -0.00 0.00 0.38 0.00 0.00 41.96 41.99 2dk6 s TYR 24 CO -0.01 -0.10 1.28 -1.17 -1.52 0.00 0.00 175.55 174.02 2dk6 s LEU 25 N -1.17 3.96 0.62 -3.49 2.96 -0.02 -1.39 118.68 120.15 2dk6 s LEU 25 Ca -0.09 1.31 -0.08 0.00 -0.22 0.00 0.00 54.13 55.05 2dk6 s LEU 25 Cb -0.08 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.08 2dk6 s LEU 25 CO -0.00 -0.99 0.97 0.00 -1.32 0.00 0.00 176.35 175.01 2dk6 s ALA 26 N 4.12 3.15 0.26 5.97 0.00 -1.23 -4.62 121.76 129.41 2dk6 s ALA 26 Ca 0.55 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 2dk6 s ALA 26 Cb -0.18 -2.78 0.33 0.00 0.00 0.00 0.00 23.12 20.49 2dk6 s ALA 26 CO 0.20 -0.88 1.93 1.49 0.00 0.00 0.00 175.76 178.50 2dk6 h GLU 27 N -0.32 1.25 -0.20 0.00 4.22 -1.95 -1.38 114.58 116.18 2dk6 h GLU 27 Ca -0.45 -0.07 0.04 0.00 0.08 0.00 0.00 59.36 58.95 2dk6 h GLU 27 Cb 1.25 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2dk6 h GLU 27 CO 0.62 0.82 0.14 0.00 -2.18 0.00 0.00 179.01 178.42 2dk6 n GLY 29 N -1.55 3.14 3.70 0.00 0.00 -0.52 -5.09 105.19 104.87 2dk6 n GLY 29 Ca 0.01 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 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 4.51 0.19 1.61 2.36 -1.26 -4.55 119.74 122.60 2dk6 s LYS 30 Ca 0.00 1.42 -0.31 0.00 -2.55 0.00 0.00 55.97 54.54 2dk6 s LYS 30 Cb 0.00 -3.49 -0.09 0.00 -1.05 0.00 0.00 37.83 33.20 2dk6 s LYS 30 CO 0.00 -0.15 1.41 -1.58 1.55 0.00 0.00 175.35 176.58 2dk6 s TRP 31 N 1.36 3.15 -0.20 4.03 0.52 -1.26 -3.47 118.94 123.07 2dk6 s TRP 31 Ca 0.51 1.01 -0.10 0.00 0.02 0.00 0.00 56.10 57.54 2dk6 s TRP 31 Cb -0.20 -3.74 -0.05 0.00 -1.15 0.00 0.00 33.47 28.33 2dk6 s TRP 31 CO 0.25 -2.48 0.12 -1.01 0.02 0.00 0.00 176.95 173.85 2dk6 s HIS 32 N 0.46 3.38 0.10 -1.98 3.76 -0.49 -4.88 115.29 115.64 2dk6 s HIS 32 Ca 0.61 0.28 -0.31 0.00 -0.15 0.00 0.00 55.06 55.49 2dk6 s HIS 32 Cb -0.39 -2.15 -0.08 0.00 1.11 0.00 0.00 32.58 31.07 2dk6 s HIS 32 CO 0.37 0.26 1.50 1.41 -0.85 0.00 0.00 174.74 177.42 2dk6 s MET 33 N 0.39 4.26 -0.21 1.40 1.75 -1.26 -2.85 119.30 122.77 2dk6 s MET 33 Ca 0.07 2.19 -0.39 0.00 -1.25 0.00 0.00 55.69 56.31 2dk6 s MET 33 Cb -0.11 -3.36 -0.15 0.00 2.84 0.00 0.00 34.83 34.04 2dk6 s MET 33 CO -0.01 -0.57 1.71 1.19 -0.65 0.00 0.00 175.02 176.69 2dk6 n PHE 34 N 4.58 2.03 -3.65 4.11 3.01 0.60 -4.94 117.46 123.20 2dk6 n PHE 34 Ca 0.13 0.49 -0.10 0.00 1.01 0.00 0.00 57.45 58.98 2dk6 n PHE 34 Cb 0.41 -2.47 -0.05 0.00 -0.01 0.00 0.00 39.48 37.37 2dk6 n PHE 34 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2dk6 s GLN 35 N 3.23 1.06 0.16 -1.08 -1.52 -1.26 -3.47 119.66 116.79 2dk6 s GLN 35 Ca 0.96 -0.73 -0.30 0.00 -1.95 0.00 0.00 55.36 53.33 2dk6 s GLN 35 Cb -1.01 0.46 -0.08 0.00 -0.22 0.00 0.00 33.01 32.16 2dk6 s GLN 35 CO 0.62 -0.41 1.32 -1.25 -0.25 0.00 0.00 175.29 175.32 2dk6 s PRO 36 N -3.81 4.37 0.00 2.91 0.04 -1.26 -4.74 135.00 132.51 2dk6 s PRO 36 Ca 0.03 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2dk6 s PRO 36 Cb 0.02 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2dk6 s PRO 36 CO -0.12 -0.31 0.16 -3.47 0.04 0.00 0.00 177.00 173.31 2dk6 n ASP 37 N 3.11 0.00 -2.75 6.66 2.03 -1.26 -4.96 116.55 119.38 2dk6 n ASP 37 Ca 0.08 0.49 -0.07 0.00 0.52 0.00 0.00 54.79 55.81 2dk6 n ASP 37 Cb 0.43 -0.40 0.04 0.00 -0.72 0.00 0.00 41.12 40.47 2dk6 n ASP 37 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2dk6 n THR 38 N -1.70 0.00 -0.10 5.18 -1.04 -1.26 -4.98 114.28 110.37 2dk6 n THR 38 Ca 0.00 -0.45 -0.14 0.00 -2.04 0.00 0.00 64.05 61.42 2dk6 n THR 38 Cb 0.00 -1.35 -0.05 0.00 -1.82 0.00 0.00 70.33 67.11 2dk6 n THR 38 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2dk6 n ASN 39 N -3.03 1.90 -4.81 8.00 4.13 -1.26 -4.52 115.26 115.68 2dk6 n ASN 39 Ca 0.05 0.43 -0.39 0.00 1.68 0.00 0.00 54.58 56.35 2dk6 n ASN 39 Cb 0.18 -0.83 -0.06 0.00 -1.54 0.00 0.00 39.78 37.54 2dk6 n ASN 39 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2dk6 s SER 40 N -6.35 7.11 0.00 6.41 1.04 -1.26 -4.06 113.70 116.59 2dk6 s SER 40 Ca -0.27 1.32 0.00 0.00 0.48 0.00 0.00 55.95 57.47 2dk6 s SER 40 Cb 0.06 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.80 2dk6 s SER 40 CO 0.41 0.27 0.00 0.00 0.98 0.00 0.00 173.24 174.90 2dk6 n GLN 41 N 1.70 -2.41 -0.32 4.02 0.00 -1.26 -4.83 117.38 114.28 2dk6 n GLN 41 Ca -0.10 0.00 -0.21 0.00 0.00 0.00 0.00 57.00 56.69 2dk6 n GLN 41 Cb 0.50 -3.79 0.21 0.00 0.00 0.00 0.00 30.24 27.16 2dk6 n GLN 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2dk6 n SER 43 N -3.56 -1.60 -4.84 0.00 3.41 -1.26 -4.93 113.62 100.83 2dk6 n SER 43 Ca 0.10 -0.67 -0.32 0.00 -0.26 0.00 0.00 58.87 57.71 2dk6 n SER 43 Cb 0.42 -0.36 -0.05 0.00 -0.26 0.00 0.00 64.21 63.96 2dk6 n SER 43 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2dk6 s VAL 44 N -1.66 4.53 0.22 -3.33 -7.23 -1.26 -4.69 120.40 106.97 2dk6 s VAL 44 Ca 0.25 1.22 0.08 0.00 -1.81 0.00 0.00 61.98 61.72 2dk6 s VAL 44 Cb -0.03 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.21 2dk6 s VAL 44 CO 0.20 -0.45 0.01 -0.44 -0.31 0.00 0.00 175.10 174.11 2dk6 s SER 45 N -2.61 4.72 0.32 4.85 0.01 -1.26 -4.35 113.70 115.38 2dk6 s SER 45 Ca 0.59 -0.50 0.23 0.00 1.31 0.00 0.00 55.95 57.58 2dk6 s SER 45 Cb -0.10 -0.97 1.10 0.00 0.21 0.00 0.00 66.02 66.27 2dk6 s SER 45 CO 0.22 0.04 1.16 -1.54 0.41 0.00 0.00 173.24 173.53 2dk6 n SER 46 N -0.57 0.17 0.21 2.44 3.41 -1.23 0.21 113.62 118.26 2dk6 n SER 46 Ca -0.08 1.06 -0.09 0.00 -0.26 0.00 0.00 58.87 59.50 2dk6 n SER 46 Cb 0.57 -0.52 -0.04 0.00 -0.26 0.00 0.00 64.21 63.96 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 -0.55 -0.96 4.33 4.57 -1.90 -2.31 114.58 117.76 2dk6 h GLU 47 Ca 0.65 0.04 0.23 0.00 -1.18 0.00 0.00 59.36 59.10 2dk6 h GLU 47 Cb 2.06 0.12 -0.18 0.00 -0.16 0.00 0.00 28.75 30.59 2dk6 h GLU 47 CO -0.38 -0.36 -0.10 -0.25 -1.18 0.00 0.00 179.01 176.74 2dk6 n ASP 48 N -4.41 -0.22 0.03 1.04 8.00 0.13 -0.97 116.55 120.15 2dk6 n ASP 48 Ca -0.07 1.64 -0.01 0.00 0.71 0.00 0.00 54.79 57.06 2dk6 n ASP 48 Cb 0.22 -0.55 -0.01 0.00 -0.02 0.00 0.00 41.12 40.77 2dk6 n ASP 48 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2dk6 h ILE 49 N 0.00 0.00 -1.55 0.53 5.03 -1.47 -2.36 117.51 117.69 2dk6 h ILE 49 Ca 0.52 -0.01 0.49 0.00 -0.12 0.00 0.00 64.86 65.74 2dk6 h ILE 49 Cb 0.96 0.00 -0.10 0.00 -3.03 0.00 0.00 36.82 34.65 2dk6 h ILE 49 CO -0.94 0.00 1.06 1.21 -0.68 0.00 0.00 178.15 178.80 2dk6 n GLU 50 N -2.26 -0.02 -0.04 2.37 0.00 -0.70 0.17 120.64 120.16 2dk6 n GLU 50 Ca -0.01 1.09 -0.13 0.00 0.00 0.00 0.00 57.16 58.11 2dk6 n GLU 50 Cb 0.03 -2.31 -0.07 0.00 0.00 0.00 0.00 31.44 29.09 2dk6 n GLU 50 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2dk6 h LYS 51 N 0.00 0.25 -0.45 5.31 1.57 -0.85 0.16 116.57 122.56 2dk6 h LYS 51 Ca 0.85 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 59.38 2dk6 h LYS 51 Cb 3.06 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 35.36 2dk6 h LYS 51 CO -0.23 0.62 -0.21 1.03 -0.57 0.00 0.00 179.45 180.09 2dk6 h SER 52 N -0.12 0.96 0.56 0.86 0.87 0.22 -2.98 113.55 113.92 2dk6 h SER 52 Ca 0.02 -0.40 -0.12 0.00 -1.23 0.00 0.00 61.79 60.06 2dk6 h SER 52 Cb 0.56 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 2dk6 h SER 52 CO 0.02 1.14 -0.58 0.15 -0.53 0.00 0.00 176.83 177.04 2dk6 h PHE 53 N 0.76 0.02 -0.20 2.24 3.04 -0.92 -1.59 116.94 120.29 2dk6 h PHE 53 Ca 0.10 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.10 2dk6 h PHE 53 Cb 0.78 -0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.23 2dk6 h PHE 53 CO 0.06 0.59 -0.17 0.87 -2.02 0.00 0.00 178.31 177.64 2dk6 h LYS 54 N 0.01 -0.17 0.02 1.11 1.79 -0.52 0.07 116.57 118.88 2dk6 h LYS 54 Ca -0.01 0.01 -0.23 0.00 -2.18 0.00 0.00 60.65 58.25 2dk6 h LYS 54 Cb 1.02 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.68 2dk6 h LYS 54 CO 0.08 -0.11 -1.12 0.00 -1.08 0.00 0.00 179.45 177.21 2dk6 h THR 55 N -0.17 1.58 -2.80 -0.16 1.03 -1.57 -3.41 112.91 107.42 2dk6 h THR 55 Ca 0.12 -3.29 -0.60 0.00 -0.01 0.00 0.00 66.41 62.63 2dk6 h THR 55 Cb 0.35 2.81 -0.40 0.00 -1.07 0.00 0.00 68.15 69.85 2dk6 h THR 55 CO -0.30 0.91 -0.79 0.21 -0.01 0.00 0.00 175.52 175.54 2dk6 s ASN 56 N -6.71 3.22 0.22 0.00 3.84 -0.60 -4.95 114.94 109.96 2dk6 s ASN 56 Ca -0.01 -2.70 0.22 0.00 0.21 0.00 0.00 52.86 50.59 2dk6 s ASN 56 Cb 0.09 -0.83 0.93 0.00 -0.55 0.00 0.00 41.25 40.89 2dk6 s ASN 56 CO 0.83 -0.25 1.67 -0.81 -2.79 0.00 0.00 177.10 175.76 2dk6 n PRO 57 N 3.42 0.17 -1.16 0.43 -0.04 -0.03 -2.65 135.00 135.13 2dk6 n PRO 57 Ca 0.14 0.40 -0.03 0.00 -0.04 0.00 0.00 63.50 63.97 2dk6 n PRO 57 Cb 0.37 -1.82 0.13 0.00 -0.04 0.00 0.00 33.50 32.15 2dk6 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dk6 n GLY 59 N -0.87 1.50 3.74 0.00 0.00 -1.08 -3.93 105.19 104.55 2dk6 n GLY 59 Ca 0.25 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.05 -0.26 1.61 1.04 -1.26 -1.83 113.70 112.51 2dk6 s SER 60 Ca 0.00 -0.24 -0.01 0.00 0.48 0.00 0.00 55.95 56.18 2dk6 s SER 60 Cb 0.00 0.24 0.15 0.00 0.10 0.00 0.00 66.02 66.51 2dk6 s SER 60 CO 0.00 -0.45 0.41 -0.51 0.98 0.00 0.00 173.24 173.67 2dk6 s ILE 61 N -2.43 -0.66 -0.07 -1.02 2.07 -1.05 -4.96 121.20 113.09 2dk6 s ILE 61 Ca 0.18 -0.13 -0.15 0.00 -1.41 0.00 0.00 60.65 59.14 2dk6 s ILE 61 Cb 0.02 -0.89 -0.05 0.00 0.13 0.00 0.00 42.46 41.67 2dk6 s ILE 61 CO -0.01 -0.16 0.39 -0.55 -1.91 0.00 0.00 174.94 172.70 2dk6 s SER 62 N 2.58 6.68 0.33 4.50 0.15 -1.26 -2.45 113.70 124.23 2dk6 s SER 62 Ca 0.13 0.81 -0.18 0.00 0.70 0.00 0.00 55.95 57.40 2dk6 s SER 62 Cb -0.14 -2.24 0.04 0.00 -1.71 0.00 0.00 66.02 61.97 2dk6 s SER 62 CO -0.21 0.20 0.78 0.72 1.20 0.00 0.00 173.24 175.93 2dk6 s PHE 63 N -0.32 -0.00 0.13 3.44 -0.12 -0.84 -5.03 117.98 115.24 2dk6 s PHE 63 Ca 0.22 -0.58 -0.05 0.00 -0.05 0.00 0.00 56.93 56.48 2dk6 s PHE 63 Cb -0.15 0.78 -0.02 0.00 -0.63 0.00 0.00 43.02 43.00 2dk6 s PHE 63 CO 0.10 -1.40 0.15 0.95 -0.05 0.00 0.00 175.22 174.97 2dk6 s THR 64 N -2.91 0.11 -0.00 -4.49 -4.23 -1.26 -1.60 115.64 101.25 2dk6 s THR 64 Ca 0.14 -1.61 -0.00 0.00 -1.18 0.00 0.00 61.69 59.04 2dk6 s THR 64 Cb -0.05 -1.82 -0.00 0.00 1.34 0.00 0.00 72.50 71.97 2dk6 s THR 64 CO 0.09 -0.48 -0.00 0.35 -0.54 0.00 0.00 174.62 174.04 2dk6 n THR 65 N -0.11 0.01 0.02 3.99 -2.24 -1.14 -4.51 114.28 110.28 2dk6 n THR 65 Ca -0.08 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2dk6 n THR 65 Cb 0.63 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 2dk6 n THR 65 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2dk6 n SER 66 N -2.51 0.12 0.00 3.42 3.41 -1.26 -4.93 113.62 111.87 2dk6 n SER 66 Ca -0.00 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2dk6 n SER 66 Cb 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2dk6 n SER 66 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2dk6 n LYS 67 N -2.69 1.89 -3.92 4.33 3.00 -1.26 -5.06 118.16 114.46 2dk6 n LYS 67 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.04 2dk6 n LYS 67 Cb 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 35.03 34.18 2dk6 n LYS 67 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2dk6 s PHE 68 N -1.48 3.49 0.30 5.64 0.40 -1.26 -5.07 117.98 120.00 2dk6 s PHE 68 Ca 0.00 0.17 0.10 0.00 -0.60 0.00 0.00 56.93 56.60 2dk6 s PHE 68 Cb 0.00 -1.71 -0.05 0.00 0.51 0.00 0.00 43.02 41.78 2dk6 s PHE 68 CO 0.00 0.52 -0.04 -1.12 0.70 0.00 0.00 175.22 175.28 2dk6 s SER 69 N -3.05 4.19 -0.20 1.36 0.01 -1.26 -2.90 113.70 111.85 2dk6 s SER 69 Ca 0.35 -0.86 -0.14 0.00 1.31 0.00 0.00 55.95 56.61 2dk6 s SER 69 Cb -0.12 -0.60 0.06 0.00 0.21 0.00 0.00 66.02 65.57 2dk6 s SER 69 CO 0.28 -0.08 0.50 -0.31 0.41 0.00 0.00 173.24 174.04 2dk6 s TYR 70 N -2.44 -0.67 -0.22 2.43 2.02 -0.63 -3.83 117.35 114.01 2dk6 s TYR 70 Ca 0.32 1.47 -0.00 0.00 -0.37 0.00 0.00 57.07 58.49 2dk6 s TYR 70 Cb -0.04 0.31 0.06 0.00 -0.40 0.00 0.00 41.96 41.89 2dk6 s TYR 70 CO 0.19 -0.35 -0.04 0.21 -1.57 0.00 0.00 175.55 173.99 2dk6 s LYS 71 N 1.03 1.43 -0.67 -0.62 2.20 -0.07 -1.99 119.74 121.05 2dk6 s LYS 71 Ca -0.06 -0.84 -0.22 0.00 -0.36 0.00 0.00 55.97 54.49 2dk6 s LYS 71 Cb -0.06 -2.45 0.08 0.00 -1.51 0.00 0.00 37.83 33.88 2dk6 s LYS 71 CO -0.09 -0.59 0.95 0.42 -0.36 0.00 0.00 175.35 175.68 2dk6 s ILE 72 N 1.50 4.40 -0.29 5.43 1.01 -1.03 0.15 121.20 132.37 2dk6 s ILE 72 Ca -0.04 -0.52 -0.26 0.00 0.00 0.00 0.00 60.65 59.83 2dk6 s ILE 72 Cb -0.18 -4.67 0.01 0.00 0.01 0.00 0.00 42.46 37.62 2dk6 s ILE 72 CO -0.07 -1.43 0.90 -1.81 0.00 0.00 0.00 174.94 172.54 2dk6 s ASP 73 N 3.68 6.81 -0.05 3.58 1.11 -0.46 -2.52 116.67 128.81 2dk6 s ASP 73 Ca 0.22 0.90 -0.23 0.00 0.18 0.00 0.00 52.55 53.62 2dk6 s ASP 73 Cb -0.17 -2.46 -0.28 0.00 1.07 0.00 0.00 42.92 41.08 2dk6 s ASP 73 CO 0.08 -0.69 0.93 -0.26 1.18 0.00 0.00 175.17 176.41 2dk6 h PHE 74 N 7.99 0.44 -0.99 4.23 0.04 -1.60 -1.42 116.94 125.62 2dk6 h PHE 74 Ca -0.22 -0.29 0.26 0.00 2.80 0.00 0.00 57.97 60.51 2dk6 h PHE 74 Cb 1.08 -0.03 -0.06 0.00 2.20 0.00 0.00 35.95 39.14 2dk6 h PHE 74 CO 0.79 1.19 0.68 0.00 -0.60 0.00 0.00 178.31 180.37 2dk6 h ALA 75 N 0.13 2.55 -0.01 2.45 0.00 -1.62 0.72 119.26 123.49 2dk6 h ALA 75 Ca -0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2dk6 h ALA 75 Cb 1.41 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2dk6 h ALA 75 CO 0.11 -0.88 -0.55 0.39 0.00 0.00 0.00 179.25 178.32 2dk6 n GLU 76 N -4.42 0.79 -3.67 0.00 -0.58 -1.24 -4.98 120.64 106.53 2dk6 n GLU 76 Ca 0.22 -0.61 -0.21 0.00 -0.42 0.00 0.00 57.16 56.14 2dk6 n GLU 76 Cb 0.92 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 30.35 2dk6 n GLU 76 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2dk6 n MET 77 N -0.57 -5.23 -3.51 3.49 2.81 0.25 -4.98 117.12 109.38 2dk6 n MET 77 Ca 0.08 0.65 -0.10 0.00 -1.81 0.00 0.00 57.70 56.53 2dk6 n MET 77 Cb 0.41 -5.30 -0.02 0.00 -0.71 0.00 0.00 33.22 27.60 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 -5.94 1.21 -0.44 0.03 -2.85 -0.58 -3.11 119.74 108.06 2dk6 s LYS 78 Ca 0.05 -0.49 -0.18 0.00 -1.00 0.00 0.00 55.97 54.35 2dk6 s LYS 78 Cb -0.02 0.53 0.03 0.00 -2.06 0.00 0.00 37.83 36.30 2dk6 s LYS 78 CO 0.80 -0.53 0.50 -1.14 0.10 0.00 0.00 175.35 175.08 2dk6 s GLN 79 N -3.57 3.13 -0.38 1.78 -0.44 -0.42 -1.35 119.66 118.40 2dk6 s GLN 79 Ca 0.04 -0.72 -0.29 0.00 -2.50 0.00 0.00 55.36 51.89 2dk6 s GLN 79 Cb -0.02 -3.99 0.02 0.00 -1.64 0.00 0.00 33.01 27.38 2dk6 s GLN 79 CO -0.09 -0.94 1.16 1.41 0.50 0.00 0.00 175.29 177.33 2dk6 s MET 80 N 2.32 3.88 0.27 1.67 -2.45 0.39 -3.61 119.30 121.77 2dk6 s MET 80 Ca 0.14 0.91 -0.19 0.00 -1.25 0.00 0.00 55.69 55.31 2dk6 s MET 80 Cb -0.17 -3.84 -0.09 0.00 1.25 0.00 0.00 34.83 31.98 2dk6 s MET 80 CO 0.14 -1.16 0.76 1.21 1.05 0.00 0.00 175.02 177.02 2dk6 s ASN 81 N 2.31 7.00 -0.03 1.11 3.84 -1.23 -0.89 114.94 127.05 2dk6 s ASN 81 Ca 0.49 1.44 0.04 0.00 0.21 0.00 0.00 52.86 55.04 2dk6 s ASN 81 Cb -0.11 -2.43 -0.06 0.00 -0.55 0.00 0.00 41.25 38.10 2dk6 s ASN 81 CO 0.24 -0.06 0.05 0.18 -2.79 0.00 0.00 177.10 174.72 2dk6 n LEU 82 N 0.35 0.00 -0.11 3.21 7.99 -1.25 -3.34 117.00 123.84 2dk6 n LEU 82 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 56.01 55.88 2dk6 n LEU 82 Cb 0.52 0.07 -0.03 0.00 -0.11 0.00 0.00 43.42 43.87 2dk6 n LEU 82 CO 0.42 0.07 0.66 0.00 -1.51 0.00 0.00 177.39 177.03 2dk6 h THR 83 N 0.00 1.29 0.00 -5.08 1.03 -1.94 -3.38 112.91 104.82 2dk6 h THR 83 Ca -0.08 -1.29 0.00 0.00 -0.01 0.00 0.00 66.41 65.03 2dk6 h THR 83 Cb 0.88 1.39 0.00 0.00 -1.07 0.00 0.00 68.15 69.35 2dk6 h THR 83 CO 0.00 0.42 -0.76 1.07 -0.01 0.00 0.00 175.52 176.24 2dk6 n THR 84 N -4.32 0.00 -0.75 0.00 5.66 -1.26 -5.02 114.28 108.58 2dk6 n THR 84 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2dk6 n THR 84 Cb 0.40 0.18 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 2dk6 n THR 84 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dk6 n GLY 85 N 1.99 0.59 3.70 1.09 0.00 -1.21 -5.02 105.19 106.33 2dk6 n GLY 85 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.69 4.41 0.21 1.61 -0.14 -1.26 -4.69 119.74 119.19 2dk6 s LYS 86 Ca 0.00 1.69 -0.13 0.00 -1.36 0.00 0.00 55.97 56.17 2dk6 s LYS 86 Cb 0.00 -3.45 -0.07 0.00 -1.68 0.00 0.00 37.83 32.62 2dk6 s LYS 86 CO 0.00 -0.32 0.59 1.14 -0.76 0.00 0.00 175.35 176.00 2dk6 s GLN 87 N 1.56 3.94 -0.13 1.68 -2.07 -1.26 -3.53 119.66 119.85 2dk6 s GLN 87 Ca 0.57 0.47 -0.07 0.00 -1.82 0.00 0.00 55.36 54.51 2dk6 s GLN 87 Cb -0.26 -2.74 0.05 0.00 -1.09 0.00 0.00 33.01 28.97 2dk6 s GLN 87 CO 0.26 0.36 0.30 -0.98 -1.32 0.00 0.00 175.29 173.91 2dk6 s ARG 88 N -2.44 0.27 0.51 9.60 1.70 -1.24 -5.02 118.95 122.33 2dk6 s ARG 88 Ca 0.44 0.62 -0.22 0.00 -0.47 0.00 0.00 55.73 56.11 2dk6 s ARG 88 Cb -0.13 -0.09 -0.06 0.00 -0.57 0.00 0.00 34.95 34.10 2dk6 s ARG 88 CO 0.20 -0.16 1.22 -0.51 -1.08 0.00 0.00 175.30 174.97 2dk6 s LEU 89 N 1.31 3.90 0.38 -1.89 1.43 -1.26 -1.30 118.68 121.24 2dk6 s LEU 89 Ca -0.09 2.43 0.05 0.00 -1.03 0.00 0.00 54.13 55.49 2dk6 s LEU 89 Cb -0.10 -4.33 -0.07 0.00 0.03 0.00 0.00 46.19 41.73 2dk6 s LEU 89 CO -0.10 -1.21 0.03 0.27 0.23 0.00 0.00 176.35 175.57 2dk6 s ILE 90 N -1.50 1.60 0.06 -0.59 -4.36 -1.18 -0.84 121.20 114.38 2dk6 s ILE 90 Ca 0.68 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.90 2dk6 s ILE 90 Cb -0.32 -2.87 0.04 0.00 1.25 0.00 0.00 42.46 40.56 2dk6 s ILE 90 CO 0.37 0.00 0.41 -1.59 0.24 0.00 0.00 174.94 174.37 2dk6 s LYS 91 N -3.79 0.94 -0.34 0.37 -2.85 0.11 -4.88 119.74 109.30 2dk6 s LYS 91 Ca 0.34 -0.42 0.00 0.00 -1.00 0.00 0.00 55.97 54.90 2dk6 s LYS 91 Cb 0.09 0.42 0.11 0.00 -2.06 0.00 0.00 37.83 36.39 2dk6 s LYS 91 CO 0.16 -0.33 0.13 0.50 0.10 0.00 0.00 175.35 175.92 2dk6 s ARG 92 N -2.68 0.88 0.10 1.78 3.52 -1.26 -0.77 118.95 120.52 2dk6 s ARG 92 Ca -0.04 -1.35 0.06 0.00 -0.13 0.00 0.00 55.73 54.28 2dk6 s ARG 92 Cb -0.00 -2.10 -0.03 0.00 -1.56 0.00 0.00 34.95 31.25 2dk6 s ARG 92 CO -0.04 -1.04 -0.16 0.00 -0.81 0.00 0.00 175.30 173.25 2dk6 s ALA 93 N 1.26 1.50 0.81 6.12 0.00 0.01 -4.89 121.76 126.57 2dk6 s ALA 93 Ca 0.12 -1.19 -0.11 0.00 0.00 0.00 0.00 51.96 50.78 2dk6 s ALA 93 Cb -0.19 -0.14 0.08 0.00 0.00 0.00 0.00 23.12 22.87 2dk6 s ALA 93 CO -0.17 0.20 1.09 -1.25 0.00 0.00 0.00 175.76 175.63 2dk6 s PRO 94 N -2.15 1.92 -1.26 0.00 0.04 -1.26 0.02 135.00 132.31 2dk6 s PRO 94 Ca 0.05 1.06 -0.18 0.00 0.04 0.00 0.00 61.00 61.97 2dk6 s PRO 94 Cb -0.08 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.67 2dk6 s PRO 94 CO 0.03 -1.85 1.68 -0.06 0.04 0.00 0.00 177.00 176.85 2dk6 s PHE 95 N -2.91 2.81 -0.11 0.56 0.08 -1.13 -4.68 117.98 112.59 2dk6 s PHE 95 Ca 0.62 -1.58 -0.00 0.00 0.12 0.00 0.00 56.93 56.09 2dk6 s PHE 95 Cb -0.17 -4.72 0.02 0.00 -0.57 0.00 0.00 43.02 37.58 2dk6 s PHE 95 CO 0.56 -1.79 -0.09 -1.12 -0.10 0.00 0.00 175.22 172.69 2dk6 s SER 96 N 4.20 2.18 -0.39 1.36 0.01 -1.26 -5.02 113.70 114.78 2dk6 s SER 96 Ca 0.52 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 57.47 2dk6 s SER 96 Cb 0.03 -0.87 0.13 0.00 0.21 0.00 0.00 66.02 65.52 2dk6 s SER 96 CO 0.05 -0.10 0.21 -0.94 0.41 0.00 0.00 173.24 172.87 2dk6 s SER 97 N 1.59 3.47 0.00 2.44 1.04 -1.26 -5.05 113.70 115.93 2dk6 s SER 97 Ca 0.03 -2.32 0.00 0.00 0.48 0.00 0.00 55.95 54.14 2dk6 s SER 97 Cb -0.13 -0.79 0.00 0.00 0.10 0.00 0.00 66.02 65.20 2dk6 s SER 97 CO -0.07 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2dk6 n GLY 98 N 3.91 3.35 3.55 7.32 0.00 -1.26 -4.88 105.19 117.19 2dk6 n GLY 98 Ca 0.08 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.15 2.68 -1.41 1.61 0.04 -1.26 -3.33 135.00 131.18 2dk6 s PRO 99 Ca 0.00 0.66 -0.09 0.00 0.04 0.00 0.00 61.00 61.61 2dk6 s PRO 99 Cb 0.00 -4.37 0.04 0.00 0.04 0.00 0.00 34.50 30.21 2dk6 s PRO 99 CO 0.00 -2.67 1.01 0.43 0.04 0.00 0.00 177.00 175.81 2dk6 n SER 100 N 12.55 -4.48 -0.07 6.66 7.64 -1.26 -4.89 113.62 129.76 2dk6 n SER 100 Ca 0.20 -0.70 -0.13 0.00 1.01 0.00 0.00 58.87 59.26 2dk6 n SER 100 Cb 0.52 -4.39 -0.06 0.00 -1.01 0.00 0.00 64.21 59.27 2dk6 n SER 100 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dk6 n SER 101 N -2.96 1.98 -0.07 6.43 7.64 -1.21 -5.21 113.62 120.22 2dk6 n SER 101 Ca -0.05 0.06 0.01 0.00 1.01 0.00 0.00 58.87 59.89 2dk6 n SER 101 Cb 0.57 -0.34 0.01 0.00 -1.01 0.00 0.00 64.21 63.44 2dk6 n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64