#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 3.87 0.58 1.61 0.01 -1.26 -5.10 113.70 113.41 2dk6 s SER 2 Ca 0.00 -0.44 -0.20 0.00 1.31 0.00 0.00 55.95 56.63 2dk6 s SER 2 Cb 0.00 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.58 2dk6 s SER 2 CO 0.00 0.06 1.27 -0.44 0.41 0.00 0.00 173.24 174.54 2dk6 s SER 3 N 0.98 5.13 0.00 2.44 0.01 -1.26 -4.77 113.70 116.24 2dk6 s SER 3 Ca -0.02 2.56 0.00 0.00 1.31 0.00 0.00 55.95 59.80 2dk6 s SER 3 Cb -0.15 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.47 2dk6 s SER 3 CO -0.02 -1.65 0.00 0.61 0.41 0.00 0.00 173.24 172.60 2dk6 n GLY 4 N 0.68 0.14 3.31 3.44 0.00 -1.26 -5.16 105.19 106.35 2dk6 n GLY 4 Ca 0.13 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.17 -0.14 1.61 0.15 -1.26 -5.07 113.70 108.81 2dk6 s SER 5 Ca 0.00 -0.40 -0.15 0.00 0.70 0.00 0.00 55.95 56.11 2dk6 s SER 5 Cb 0.00 0.46 -0.24 0.00 -1.71 0.00 0.00 66.02 64.52 2dk6 s SER 5 CO 0.00 -0.84 0.38 0.77 1.20 0.00 0.00 173.24 174.74 2dk6 h SER 6 N 2.42 0.26 -3.85 5.45 4.64 -2.01 -3.51 113.55 116.95 2dk6 h SER 6 Ca -0.34 -0.77 0.13 0.00 -0.47 0.00 0.00 61.79 60.34 2dk6 h SER 6 Cb 1.25 -0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 63.18 2dk6 h SER 6 CO 0.48 1.66 -0.60 0.61 -0.87 0.00 0.00 176.83 178.11 2dk6 n GLY 7 N 1.73 -3.13 3.06 -0.77 0.00 -1.26 -4.88 105.19 99.93 2dk6 n GLY 7 Ca -0.30 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.16 2dk6 n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dk6 n ASN 8 N -2.87 -5.50 -2.13 1.61 2.85 -1.26 -4.90 115.26 103.07 2dk6 n ASN 8 Ca -0.04 0.28 -0.26 0.00 -0.11 0.00 0.00 54.58 54.45 2dk6 n ASN 8 Cb 0.32 -0.79 0.03 0.00 1.24 0.00 0.00 39.78 40.58 2dk6 n ASN 8 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2dk6 n GLU 9 N 2.23 3.46 -4.25 1.20 -0.58 -1.26 -4.94 120.64 116.49 2dk6 n GLU 9 Ca 0.00 -4.07 -0.31 0.00 -0.42 0.00 0.00 57.16 52.37 2dk6 n GLU 9 Cb 0.54 -2.28 -0.08 0.00 -0.57 0.00 0.00 31.44 29.05 2dk6 n GLU 9 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2dk6 n VAL 10 N -0.71 -1.41 -1.58 2.62 0.31 -1.26 -4.92 118.33 111.37 2dk6 n VAL 10 Ca 0.46 -0.46 -0.30 0.00 -0.01 0.00 0.00 64.34 64.04 2dk6 n VAL 10 Cb 0.88 -1.36 0.21 0.00 -0.91 0.00 0.00 33.84 32.65 2dk6 n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dk6 s ASP 11 N -4.29 2.26 1.05 4.52 2.15 -1.26 -4.95 116.67 116.14 2dk6 s ASP 11 Ca 0.07 0.43 -0.20 0.00 0.43 0.00 0.00 52.55 53.28 2dk6 s ASP 11 Cb -0.04 -0.57 0.03 0.00 -0.30 0.00 0.00 42.92 42.05 2dk6 s ASP 11 CO 0.97 -3.28 -0.36 -0.90 -0.17 0.00 0.00 175.17 171.44 2dk6 n ASP 12 N -4.16 -2.64 -3.97 -0.34 5.68 -1.26 -3.35 116.55 106.50 2dk6 n ASP 12 Ca 0.14 -0.14 -0.30 0.00 -0.50 0.00 0.00 54.79 53.99 2dk6 n ASP 12 Cb 0.59 -0.78 0.01 0.00 -1.14 0.00 0.00 41.12 39.80 2dk6 n ASP 12 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 2dk6 n MET 13 N -0.68 -4.57 -4.39 0.11 0.00 -1.26 -4.96 117.12 101.37 2dk6 n MET 13 Ca 0.01 0.52 -0.20 0.00 0.00 0.00 0.00 57.70 58.02 2dk6 n MET 13 Cb 0.59 -5.23 -0.09 0.00 0.00 0.00 0.00 33.22 28.49 2dk6 n MET 13 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2dk6 s ASP 14 N -3.59 1.91 -0.36 6.12 2.15 -1.21 -5.07 116.67 116.62 2dk6 s ASP 14 Ca 0.51 -1.52 -0.33 0.00 0.43 0.00 0.00 52.55 51.65 2dk6 s ASP 14 Cb -0.26 0.28 -0.14 0.00 -0.30 0.00 0.00 42.92 42.50 2dk6 s ASP 14 CO 0.86 -0.82 1.29 0.41 -0.17 0.00 0.00 175.17 176.74 2dk6 n THR 15 N -0.65 0.00 -0.22 1.71 -1.04 -1.26 -4.86 114.28 107.95 2dk6 n THR 15 Ca -0.01 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.82 2dk6 n THR 15 Cb 0.65 -0.36 0.17 0.00 -1.82 0.00 0.00 70.33 68.98 2dk6 n THR 15 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2dk6 n SER 16 N 3.82 -3.14 -3.12 8.00 3.41 -1.26 -4.30 113.62 117.03 2dk6 n SER 16 Ca 0.29 -0.50 -0.16 0.00 -0.26 0.00 0.00 58.87 58.24 2dk6 n SER 16 Cb -0.04 -0.63 0.08 0.00 -0.26 0.00 0.00 64.21 63.36 2dk6 n SER 16 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2dk6 n ASP 17 N -3.65 -3.07 -4.51 4.04 9.92 -1.26 -4.97 116.55 113.05 2dk6 n ASP 17 Ca 0.08 -0.52 -0.42 0.00 -0.53 0.00 0.00 54.79 53.40 2dk6 n ASP 17 Cb 0.34 -4.47 -0.09 0.00 -0.64 0.00 0.00 41.12 36.26 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 -3.30 5.11 -0.33 -3.53 2.01 -1.26 -5.03 115.64 109.31 2dk6 s THR 18 Ca 0.14 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 2dk6 s THR 18 Cb -0.06 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.49 2dk6 s THR 18 CO 0.63 -0.29 1.50 -1.10 -0.69 0.00 0.00 174.62 174.67 2dk6 s GLN 19 N 2.12 3.67 -0.04 4.92 -0.21 -1.26 -4.99 119.66 123.86 2dk6 s GLN 19 Ca 0.13 1.27 -0.22 0.00 0.02 0.00 0.00 55.36 56.56 2dk6 s GLN 19 Cb -0.17 -4.02 -0.04 0.00 1.00 0.00 0.00 33.01 29.78 2dk6 s GLN 19 CO 0.13 -1.44 0.63 -1.58 -2.12 0.00 0.00 175.29 170.91 2dk6 s TRP 20 N 5.36 3.62 0.20 0.91 0.52 -1.26 -3.08 118.94 125.21 2dk6 s TRP 20 Ca 0.66 1.19 0.05 0.00 0.02 0.00 0.00 56.10 58.01 2dk6 s TRP 20 Cb -0.19 -2.69 -0.04 0.00 -1.15 0.00 0.00 33.47 29.41 2dk6 s TRP 20 CO 0.30 0.21 0.22 0.20 0.02 0.00 0.00 176.95 177.90 2dk6 s GLY 21 N 0.35 1.52 -0.14 0.98 0.00 0.18 -4.90 107.32 105.31 2dk6 s GLY 21 Ca 0.33 -1.25 -0.04 0.00 0.00 0.00 0.00 44.72 43.77 2dk6 s GLY 21 CO 0.17 -1.27 -0.00 -0.98 0.00 0.00 0.00 173.10 171.02 2dk6 s TRP 22 N -1.91 3.12 0.11 1.90 0.52 -1.26 -1.88 118.94 119.53 2dk6 s TRP 22 Ca 0.33 -0.05 0.03 0.00 0.02 0.00 0.00 56.10 56.43 2dk6 s TRP 22 Cb -0.09 -1.93 -0.04 0.00 -1.15 0.00 0.00 33.47 30.26 2dk6 s TRP 22 CO 0.26 0.17 -0.09 -0.06 0.02 0.00 0.00 176.95 177.25 2dk6 s PHE 23 N -0.05 1.07 -0.09 -1.98 0.40 -0.36 -1.89 117.98 115.10 2dk6 s PHE 23 Ca 0.03 -0.75 -0.04 0.00 -0.60 0.00 0.00 56.93 55.58 2dk6 s PHE 23 Cb -0.13 -0.58 0.05 0.00 0.51 0.00 0.00 43.02 42.87 2dk6 s PHE 23 CO 0.02 -0.01 0.17 1.52 0.70 0.00 0.00 175.22 177.62 2dk6 s TYR 24 N -2.99 -0.22 1.03 0.36 1.13 0.06 -1.35 117.35 115.38 2dk6 s TYR 24 Ca 0.10 0.63 -0.19 0.00 -1.41 0.00 0.00 57.07 56.20 2dk6 s TYR 24 Cb 0.01 -0.16 -0.04 0.00 -1.10 0.00 0.00 41.96 40.67 2dk6 s TYR 24 CO -0.01 -0.25 -0.46 -0.11 -2.51 0.00 0.00 175.55 172.21 2dk6 n LEU 25 N 4.91 -2.76 -4.52 -3.49 7.94 0.12 -0.62 117.00 118.57 2dk6 n LEU 25 Ca -0.13 0.07 -0.26 0.00 -1.11 0.00 0.00 56.01 54.58 2dk6 n LEU 25 Cb 0.51 -0.86 -0.08 0.00 0.53 0.00 0.00 43.42 43.51 2dk6 n LEU 25 CO 0.09 -3.67 -0.20 0.00 -1.11 0.00 0.00 177.39 172.50 2dk6 s ALA 26 N -2.17 2.96 0.01 1.96 0.00 -0.98 -4.59 121.76 118.95 2dk6 s ALA 26 Ca 0.48 -1.22 -0.26 0.00 0.00 0.00 0.00 51.96 50.96 2dk6 s ALA 26 Cb -0.10 0.73 -0.15 0.00 0.00 0.00 0.00 23.12 23.60 2dk6 s ALA 26 CO 0.70 -0.33 1.14 0.93 0.00 0.00 0.00 175.76 178.20 2dk6 h GLU 27 N 1.77 -0.75 -0.56 0.00 4.39 -1.96 -3.10 114.58 114.37 2dk6 h GLU 27 Ca -0.36 0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.50 2dk6 h GLU 27 Cb 1.27 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 30.06 2dk6 h GLU 27 CO 0.57 -0.45 0.38 0.00 -1.16 0.00 0.00 179.01 178.36 2dk6 n GLY 29 N -1.54 1.17 2.89 0.00 0.00 -1.17 -5.14 105.19 101.40 2dk6 n GLY 29 Ca 0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.01 1.33 -0.19 1.61 2.20 -1.26 -4.86 119.74 118.56 2dk6 s LYS 30 Ca 0.00 -0.19 -0.29 0.00 -0.36 0.00 0.00 55.97 55.13 2dk6 s LYS 30 Cb 0.00 -1.41 -0.03 0.00 -1.51 0.00 0.00 37.83 34.88 2dk6 s LYS 30 CO 0.00 -0.24 1.58 -1.58 -0.36 0.00 0.00 175.35 174.75 2dk6 s TRP 31 N 1.62 2.17 -0.16 4.03 0.52 -1.26 -2.32 118.94 123.54 2dk6 s TRP 31 Ca 0.02 0.54 -0.15 0.00 0.02 0.00 0.00 56.10 56.54 2dk6 s TRP 31 Cb -0.13 -3.92 -0.04 0.00 -1.15 0.00 0.00 33.47 28.22 2dk6 s TRP 31 CO -0.06 -2.93 0.32 -1.01 0.02 0.00 0.00 176.95 173.30 2dk6 s HIS 32 N 4.82 3.45 -0.28 -1.98 3.76 0.21 -4.76 115.29 120.51 2dk6 s HIS 32 Ca 0.70 0.62 -0.26 0.00 -0.15 0.00 0.00 55.06 55.97 2dk6 s HIS 32 Cb -0.26 -2.39 0.01 0.00 1.11 0.00 0.00 32.58 31.05 2dk6 s HIS 32 CO 0.28 0.19 0.92 1.41 -0.85 0.00 0.00 174.74 176.69 2dk6 s MET 33 N 0.62 4.09 0.40 1.40 1.75 -1.26 -0.76 119.30 125.54 2dk6 s MET 33 Ca 0.18 0.93 -0.17 0.00 -1.25 0.00 0.00 55.69 55.37 2dk6 s MET 33 Cb -0.13 -3.70 -0.14 0.00 2.84 0.00 0.00 34.83 33.70 2dk6 s MET 33 CO 0.05 -0.70 -0.02 1.19 -0.65 0.00 0.00 175.02 174.90 2dk6 n PHE 34 N 6.36 -2.23 -4.16 4.11 3.01 -0.79 -4.98 117.46 118.78 2dk6 n PHE 34 Ca 0.08 0.48 -0.16 0.00 1.01 0.00 0.00 57.45 58.86 2dk6 n PHE 34 Cb 0.47 -1.55 -0.12 0.00 -0.01 0.00 0.00 39.48 38.27 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 -0.89 0.65 0.61 -1.08 -1.52 -1.26 -4.26 119.66 111.91 2dk6 s GLN 35 Ca 0.52 -0.71 -0.17 0.00 -1.95 0.00 0.00 55.36 53.05 2dk6 s GLN 35 Cb -0.51 -0.54 -0.03 0.00 -0.22 0.00 0.00 33.01 31.71 2dk6 s GLN 35 CO 0.57 0.12 1.12 -1.25 -0.25 0.00 0.00 175.29 175.60 2dk6 s PRO 36 N -1.30 3.06 0.14 2.91 0.04 -1.26 -4.10 135.00 134.50 2dk6 s PRO 36 Ca -0.04 1.49 -0.24 0.00 0.04 0.00 0.00 61.00 62.24 2dk6 s PRO 36 Cb -0.08 -1.98 0.08 0.00 0.04 0.00 0.00 34.50 32.56 2dk6 s PRO 36 CO 0.01 -1.06 1.06 -0.51 0.04 0.00 0.00 177.00 176.53 2dk6 s ASP 37 N -2.22 -0.05 0.30 6.66 1.01 -1.26 -4.91 116.67 116.20 2dk6 s ASP 37 Ca 0.70 -0.52 -0.13 0.00 0.71 0.00 0.00 52.55 53.31 2dk6 s ASP 37 Cb -0.22 0.44 -0.10 0.00 1.01 0.00 0.00 42.92 44.05 2dk6 s ASP 37 CO 0.35 -0.85 -0.01 0.41 0.21 0.00 0.00 175.17 175.27 2dk6 n THR 38 N -0.63 0.21 -0.09 -1.27 -1.04 -1.26 -4.77 114.28 105.43 2dk6 n THR 38 Ca -0.04 -0.34 -0.14 0.00 -2.04 0.00 0.00 64.05 61.50 2dk6 n THR 38 Cb 0.60 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.05 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 1.63 1.87 -3.22 8.00 4.13 -1.26 -3.83 115.26 122.58 2dk6 n ASN 39 Ca 0.06 0.48 -0.22 0.00 1.68 0.00 0.00 54.58 56.58 2dk6 n ASN 39 Cb 0.29 -0.86 -0.14 0.00 -1.54 0.00 0.00 39.78 37.53 2dk6 n ASN 39 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2dk6 n SER 40 N -4.48 -0.48 -4.04 6.41 3.41 -1.26 -0.35 113.62 112.83 2dk6 n SER 40 Ca -0.22 -0.15 -0.32 0.00 -0.26 0.00 0.00 58.87 57.91 2dk6 n SER 40 Cb 0.52 -0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 63.92 2dk6 n SER 40 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2dk6 n GLN 41 N 4.91 -0.68 -3.24 4.33 7.27 -1.26 -4.91 117.38 123.79 2dk6 n GLN 41 Ca 0.48 0.03 -0.13 0.00 0.07 0.00 0.00 57.00 57.45 2dk6 n GLN 41 Cb 0.06 -2.54 -0.04 0.00 2.41 0.00 0.00 30.24 30.13 2dk6 n GLN 41 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2dk6 n SER 43 N -1.80 -3.04 -4.20 0.00 2.88 -0.44 -4.36 113.62 102.66 2dk6 n SER 43 Ca -0.03 -0.41 -0.15 0.00 -1.33 0.00 0.00 58.87 56.95 2dk6 n SER 43 Cb 0.32 -0.76 -0.11 0.00 -0.75 0.00 0.00 64.21 62.91 2dk6 n SER 43 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2dk6 s VAL 44 N -2.06 1.06 0.33 2.46 -7.23 -1.26 -4.67 120.40 109.02 2dk6 s VAL 44 Ca 0.34 -1.67 -0.13 0.00 -1.81 0.00 0.00 61.98 58.72 2dk6 s VAL 44 Cb -0.06 -1.41 -0.08 0.00 0.56 0.00 0.00 36.38 35.39 2dk6 s VAL 44 CO 0.31 -0.52 0.71 -0.44 -0.31 0.00 0.00 175.10 174.85 2dk6 s SER 45 N -2.45 6.68 0.36 4.85 0.01 -1.26 -4.18 113.70 117.70 2dk6 s SER 45 Ca 0.07 1.17 0.18 0.00 1.31 0.00 0.00 55.95 58.68 2dk6 s SER 45 Cb -0.03 -2.33 1.23 0.00 0.21 0.00 0.00 66.02 65.10 2dk6 s SER 45 CO 0.01 -0.24 1.62 0.77 0.41 0.00 0.00 173.24 175.81 2dk6 h SER 46 N 2.01 0.40 0.26 2.44 4.64 -1.81 0.27 113.55 121.76 2dk6 h SER 46 Ca -0.48 0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 2dk6 h SER 46 Cb 1.18 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2dk6 h SER 46 CO 0.65 -0.31 -0.13 -0.08 -0.87 0.00 0.00 176.83 176.10 2dk6 h GLU 47 N 0.14 -0.34 -0.17 4.77 4.81 -1.93 -2.90 114.58 118.96 2dk6 h GLU 47 Ca 0.80 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 60.07 2dk6 h GLU 47 Cb 1.99 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 31.42 2dk6 h GLU 47 CO -0.70 -0.10 -0.16 -0.44 -0.73 0.00 0.00 179.01 176.89 2dk6 h ASP 48 N -0.54 -0.54 -0.85 1.04 3.32 -0.84 0.11 116.42 118.12 2dk6 h ASP 48 Ca -0.04 0.08 0.12 0.00 0.02 0.00 0.00 57.03 57.21 2dk6 h ASP 48 Cb 0.40 0.23 -0.14 0.00 0.22 0.00 0.00 39.33 40.04 2dk6 h ASP 48 CO 0.06 -0.09 -0.41 0.40 -1.72 0.00 0.00 179.24 177.47 2dk6 h ILE 49 N -0.07 0.05 -0.47 0.35 2.04 -1.56 0.18 117.51 118.02 2dk6 h ILE 49 Ca 0.03 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.98 2dk6 h ILE 49 Cb 0.14 0.05 -0.08 0.00 -0.74 0.00 0.00 36.82 36.19 2dk6 h ILE 49 CO -0.20 0.00 -0.04 -0.08 0.00 0.00 0.00 178.15 177.83 2dk6 h GLU 50 N -0.07 0.06 -1.02 2.37 4.81 -1.08 -0.24 114.58 119.41 2dk6 h GLU 50 Ca 0.27 -0.00 0.30 0.00 -0.13 0.00 0.00 59.36 59.80 2dk6 h GLU 50 Cb 0.56 -0.01 -0.14 0.00 0.63 0.00 0.00 28.75 29.79 2dk6 h GLU 50 CO -0.87 0.04 0.60 -0.22 -0.73 0.00 0.00 179.01 177.83 2dk6 h LYS 51 N 0.07 0.39 0.14 1.92 3.64 0.19 0.54 116.57 123.46 2dk6 h LYS 51 Ca 0.23 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 2dk6 h LYS 51 Cb 0.35 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2dk6 h LYS 51 CO -0.43 0.26 -0.07 0.77 -2.27 0.00 0.00 179.45 177.72 2dk6 h SER 52 N 0.41 -0.16 -1.10 4.20 0.02 -0.68 -3.20 113.55 113.03 2dk6 h SER 52 Ca 0.70 0.01 0.36 0.00 -0.84 0.00 0.00 61.79 62.01 2dk6 h SER 52 Cb 1.55 0.04 -0.14 0.00 0.14 0.00 0.00 62.40 63.99 2dk6 h SER 52 CO -0.54 -0.08 0.66 0.15 -1.14 0.00 0.00 176.83 175.88 2dk6 h PHE 53 N -0.26 0.77 -0.64 3.45 3.04 -1.15 0.16 116.94 122.32 2dk6 h PHE 53 Ca -0.02 0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.08 2dk6 h PHE 53 Cb 0.15 -0.20 -0.12 0.00 2.56 0.00 0.00 35.95 38.33 2dk6 h PHE 53 CO 0.12 -0.18 -0.26 0.87 -2.02 0.00 0.00 178.31 176.84 2dk6 h LYS 54 N 0.23 -0.09 0.21 1.11 1.79 -0.90 0.20 116.57 119.12 2dk6 h LYS 54 Ca 0.75 0.01 -0.34 0.00 -2.18 0.00 0.00 60.65 58.89 2dk6 h LYS 54 Cb 1.97 0.02 0.02 0.00 -1.58 0.00 0.00 32.23 32.65 2dk6 h LYS 54 CO -0.53 -0.06 -1.62 0.00 -1.08 0.00 0.00 179.45 176.17 2dk6 h THR 55 N -0.09 1.08 -3.03 -0.16 1.03 -0.83 -3.41 112.91 107.50 2dk6 h THR 55 Ca 0.28 -2.57 -0.62 0.00 -0.01 0.00 0.00 66.41 63.49 2dk6 h THR 55 Cb 0.53 2.88 -0.41 0.00 -1.07 0.00 0.00 68.15 70.08 2dk6 h THR 55 CO -0.70 0.83 -0.64 0.54 -0.01 0.00 0.00 175.52 175.54 2dk6 s ASN 56 N -7.38 4.23 0.00 0.00 4.22 0.06 -4.92 114.94 111.15 2dk6 s ASN 56 Ca -0.14 -3.54 0.14 0.00 -2.14 0.00 0.00 52.86 47.19 2dk6 s ASN 56 Cb 0.05 -1.44 0.65 0.00 1.28 0.00 0.00 41.25 41.78 2dk6 s ASN 56 CO 0.88 -0.13 1.44 -0.81 -2.04 0.00 0.00 177.10 176.44 2dk6 n PRO 57 N 2.37 0.06 -1.95 3.55 -0.04 0.64 -2.69 135.00 136.94 2dk6 n PRO 57 Ca 0.18 0.22 -0.13 0.00 -0.04 0.00 0.00 63.50 63.74 2dk6 n PRO 57 Cb 0.36 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.38 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 -0.68 6.81 3.37 0.00 0.00 -1.09 -4.48 105.19 109.13 2dk6 n GLY 59 Ca 0.30 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 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 0.07 -0.17 1.61 1.04 -1.26 0.06 113.70 116.04 2dk6 s SER 60 Ca 0.00 -1.19 -0.04 0.00 0.48 0.00 0.00 55.95 55.20 2dk6 s SER 60 Cb 0.00 0.48 0.08 0.00 0.10 0.00 0.00 66.02 66.68 2dk6 s SER 60 CO 0.00 -0.98 0.23 -0.51 0.98 0.00 0.00 173.24 172.96 2dk6 s ILE 61 N -4.08 -0.35 -0.13 -1.02 2.07 -0.78 -4.98 121.20 111.94 2dk6 s ILE 61 Ca 0.32 0.04 -0.16 0.00 -1.41 0.00 0.00 60.65 59.43 2dk6 s ILE 61 Cb 0.04 -0.58 -0.04 0.00 0.13 0.00 0.00 42.46 42.00 2dk6 s ILE 61 CO 0.11 -0.08 0.41 -0.94 -1.91 0.00 0.00 174.94 172.52 2dk6 s SER 62 N 2.35 6.60 0.27 4.50 1.04 -1.26 -2.42 113.70 124.78 2dk6 s SER 62 Ca 0.05 0.71 -0.16 0.00 0.48 0.00 0.00 55.95 57.03 2dk6 s SER 62 Cb -0.14 -2.25 0.01 0.00 0.10 0.00 0.00 66.02 63.74 2dk6 s SER 62 CO -0.11 0.05 0.60 0.72 0.98 0.00 0.00 173.24 175.48 2dk6 s PHE 63 N 0.50 0.15 0.28 5.02 -0.12 -0.99 -5.05 117.98 117.77 2dk6 s PHE 63 Ca 0.22 -0.57 0.02 0.00 -0.05 0.00 0.00 56.93 56.55 2dk6 s PHE 63 Cb -0.14 0.43 -0.06 0.00 -0.63 0.00 0.00 43.02 42.62 2dk6 s PHE 63 CO 0.08 -1.14 0.08 0.95 -0.05 0.00 0.00 175.22 175.15 2dk6 s THR 64 N -3.82 0.76 0.10 -4.49 -4.23 -1.26 -1.63 115.64 101.06 2dk6 s THR 64 Ca 0.18 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 2dk6 s THR 64 Cb -0.03 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 71.12 2dk6 s THR 64 CO 0.09 0.00 0.00 0.35 -0.54 0.00 0.00 174.62 174.52 2dk6 n THR 65 N -0.54 0.98 0.00 3.99 -2.24 -1.21 -1.32 114.28 113.94 2dk6 n THR 65 Ca -0.01 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 2dk6 n THR 65 Cb 0.66 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 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 -3.42 0.00 0.00 3.42 2.88 -1.26 -4.54 113.62 110.70 2dk6 n SER 66 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2dk6 n SER 66 Cb 0.07 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 2dk6 n SER 66 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2dk6 n LYS 67 N -2.01 2.48 -3.46 -1.46 4.81 -1.26 -5.07 118.16 112.19 2dk6 n LYS 67 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.25 2dk6 n LYS 67 Cb 0.00 -0.75 -0.01 0.00 0.02 0.00 0.00 35.03 34.30 2dk6 n LYS 67 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2dk6 s PHE 68 N -1.31 3.08 0.29 5.64 0.08 -1.26 -5.08 117.98 119.43 2dk6 s PHE 68 Ca 0.00 -0.24 0.10 0.00 0.12 0.00 0.00 56.93 56.92 2dk6 s PHE 68 Cb 0.00 -2.01 -0.06 0.00 -0.57 0.00 0.00 43.02 40.39 2dk6 s PHE 68 CO 0.00 -0.02 -0.15 -1.12 -0.10 0.00 0.00 175.22 173.83 2dk6 s SER 69 N -4.17 3.47 -0.16 1.36 0.01 -1.26 -3.34 113.70 109.61 2dk6 s SER 69 Ca 0.45 -1.10 -0.11 0.00 1.31 0.00 0.00 55.95 56.51 2dk6 s SER 69 Cb -0.09 -0.29 0.05 0.00 0.21 0.00 0.00 66.02 65.90 2dk6 s SER 69 CO 0.31 -0.09 0.39 -0.31 0.41 0.00 0.00 173.24 173.95 2dk6 s TYR 70 N -2.63 -0.51 -0.16 2.43 2.02 -0.65 -3.49 117.35 114.36 2dk6 s TYR 70 Ca 0.30 1.15 0.01 0.00 -0.37 0.00 0.00 57.07 58.16 2dk6 s TYR 70 Cb -0.02 0.20 0.01 0.00 -0.40 0.00 0.00 41.96 41.75 2dk6 s TYR 70 CO 0.14 -0.28 -0.18 0.21 -1.57 0.00 0.00 175.55 173.88 2dk6 s LYS 71 N 0.86 3.09 -0.50 -0.62 2.20 -0.44 -2.36 119.74 121.97 2dk6 s LYS 71 Ca -0.05 -0.80 -0.10 0.00 -0.36 0.00 0.00 55.97 54.66 2dk6 s LYS 71 Cb -0.06 -2.58 0.13 0.00 -1.51 0.00 0.00 37.83 33.81 2dk6 s LYS 71 CO -0.07 -0.09 0.39 0.42 -0.36 0.00 0.00 175.35 175.64 2dk6 s ILE 72 N 1.03 4.37 -0.55 5.43 1.01 -1.01 0.87 121.20 132.35 2dk6 s ILE 72 Ca -0.01 -1.83 -0.20 0.00 0.00 0.00 0.00 60.65 58.61 2dk6 s ILE 72 Cb -0.14 -3.86 0.07 0.00 0.01 0.00 0.00 42.46 38.54 2dk6 s ILE 72 CO -0.05 -0.80 0.70 -1.81 0.00 0.00 0.00 174.94 172.98 2dk6 s ASP 73 N 2.69 6.22 0.12 3.58 1.11 -1.08 -1.86 116.67 127.45 2dk6 s ASP 73 Ca 0.06 -1.03 -0.20 0.00 0.18 0.00 0.00 52.55 51.56 2dk6 s ASP 73 Cb -0.26 -2.32 -0.06 0.00 1.07 0.00 0.00 42.92 41.36 2dk6 s ASP 73 CO -0.01 -1.03 1.73 -0.26 1.18 0.00 0.00 175.17 176.78 2dk6 h PHE 74 N 9.13 -0.00 -0.90 4.23 0.04 -0.66 0.61 116.94 129.39 2dk6 h PHE 74 Ca -0.28 0.01 0.22 0.00 2.80 0.00 0.00 57.97 60.72 2dk6 h PHE 74 Cb 1.09 0.02 -0.12 0.00 2.20 0.00 0.00 35.95 39.14 2dk6 h PHE 74 CO 0.81 -0.02 0.41 0.00 -0.60 0.00 0.00 178.31 178.91 2dk6 h ALA 75 N 1.13 1.44 0.00 2.45 0.00 -1.68 0.60 119.26 123.20 2dk6 h ALA 75 Ca 0.07 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2dk6 h ALA 75 Cb 0.09 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2dk6 h ALA 75 CO -0.12 -0.32 -0.12 0.93 0.00 0.00 0.00 179.25 179.62 2dk6 h GLU 76 N 0.43 0.00 -5.39 0.00 4.39 -1.73 -3.48 114.58 108.81 2dk6 h GLU 76 Ca 0.56 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.92 2dk6 h GLU 76 Cb 1.04 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 29.83 2dk6 h GLU 76 CO -0.51 0.00 -0.65 -1.33 -1.16 0.00 0.00 179.01 175.36 2dk6 n MET 77 N -2.85 -6.85 -3.47 2.33 2.81 0.21 -4.99 117.12 104.31 2dk6 n MET 77 Ca 0.04 0.76 -0.12 0.00 -1.81 0.00 0.00 57.70 56.57 2dk6 n MET 77 Cb 0.51 -5.59 -0.03 0.00 -0.71 0.00 0.00 33.22 27.40 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 -5.85 1.07 -0.36 0.03 -2.85 -1.15 -2.27 119.74 108.35 2dk6 s LYS 78 Ca 0.34 -0.24 -0.16 0.00 -1.00 0.00 0.00 55.97 54.92 2dk6 s LYS 78 Cb -0.15 0.50 -0.00 0.00 -2.06 0.00 0.00 37.83 36.11 2dk6 s LYS 78 CO 0.67 -0.44 0.37 -1.14 0.10 0.00 0.00 175.35 174.91 2dk6 s GLN 79 N -2.88 3.43 -0.28 1.78 0.74 0.73 -2.62 119.66 120.56 2dk6 s GLN 79 Ca -0.01 -0.53 -0.26 0.00 0.05 0.00 0.00 55.36 54.61 2dk6 s GLN 79 Cb -0.01 -3.85 0.01 0.00 1.10 0.00 0.00 33.01 30.26 2dk6 s GLN 79 CO -0.06 -0.61 0.93 1.41 -0.55 0.00 0.00 175.29 176.41 2dk6 s MET 80 N 2.02 4.11 0.28 1.67 -2.45 0.25 -3.35 119.30 121.85 2dk6 s MET 80 Ca 0.11 0.98 -0.26 0.00 -1.25 0.00 0.00 55.69 55.27 2dk6 s MET 80 Cb -0.17 -3.69 -0.09 0.00 1.25 0.00 0.00 34.83 32.13 2dk6 s MET 80 CO 0.12 -0.68 0.90 -0.80 1.05 0.00 0.00 175.02 175.61 2dk6 s ASN 81 N 1.46 7.35 -0.09 1.11 -0.87 -0.88 -1.32 114.94 121.70 2dk6 s ASN 81 Ca 0.39 1.78 0.08 0.00 -1.57 0.00 0.00 52.86 53.54 2dk6 s ASN 81 Cb -0.14 -2.56 -0.11 0.00 -0.02 0.00 0.00 41.25 38.42 2dk6 s ASN 81 CO 0.10 0.00 0.03 0.18 -2.57 0.00 0.00 177.10 174.85 2dk6 n LEU 82 N 0.81 0.00 0.02 0.60 7.99 -1.23 -3.42 117.00 121.77 2dk6 n LEU 82 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.89 2dk6 n LEU 82 Cb 0.50 0.22 -0.08 0.00 -0.11 0.00 0.00 43.42 43.94 2dk6 n LEU 82 CO 0.45 0.22 0.42 0.00 -1.51 0.00 0.00 177.39 176.97 2dk6 h THR 83 N 0.00 1.03 0.00 -5.08 1.03 -1.94 -3.38 112.91 104.57 2dk6 h THR 83 Ca -0.24 -1.29 -0.08 0.00 -0.01 0.00 0.00 66.41 64.79 2dk6 h THR 83 Cb 1.53 1.75 -0.02 0.00 -1.07 0.00 0.00 68.15 70.35 2dk6 h THR 83 CO 0.01 0.28 -1.87 0.35 -0.01 0.00 0.00 175.52 174.28 2dk6 n THR 84 N -4.87 0.30 -0.98 0.00 -2.24 -1.26 -5.00 114.28 100.23 2dk6 n THR 84 Ca -0.08 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2dk6 n THR 84 Cb 0.28 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 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 1.67 0.43 3.78 3.38 0.00 -1.22 -5.05 105.19 108.18 2dk6 n GLY 85 Ca -0.09 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.97 0.38 -0.01 1.61 1.02 -1.26 -4.70 119.74 114.81 2dk6 s LYS 86 Ca 0.00 -0.00 0.02 0.00 0.02 0.00 0.00 55.97 56.01 2dk6 s LYS 86 Cb 0.00 -1.78 -0.01 0.00 -0.52 0.00 0.00 37.83 35.53 2dk6 s LYS 86 CO 0.00 -2.66 -0.08 1.14 -0.92 0.00 0.00 175.35 172.84 2dk6 s GLN 87 N -5.49 0.63 -0.12 1.68 1.03 -1.26 -2.08 119.66 114.05 2dk6 s GLN 87 Ca 0.68 -0.28 -0.06 0.00 0.04 0.00 0.00 55.36 55.75 2dk6 s GLN 87 Cb -0.10 -0.60 0.05 0.00 0.03 0.00 0.00 33.01 32.38 2dk6 s GLN 87 CO 0.54 0.17 0.28 1.03 -2.54 0.00 0.00 175.29 174.76 2dk6 s ARG 88 N -0.19 0.23 0.31 9.60 0.52 -1.21 -5.00 118.95 123.21 2dk6 s ARG 88 Ca 0.03 0.60 -0.28 0.00 -0.52 0.00 0.00 55.73 55.56 2dk6 s ARG 88 Cb -0.03 -0.09 -0.09 0.00 0.52 0.00 0.00 34.95 35.26 2dk6 s ARG 88 CO -0.00 -0.18 1.07 -0.51 0.02 0.00 0.00 175.30 175.71 2dk6 s LEU 89 N 1.42 4.46 0.52 2.53 2.01 -1.26 -0.19 118.68 128.16 2dk6 s LEU 89 Ca -0.08 2.19 0.06 0.00 0.01 0.00 0.00 54.13 56.30 2dk6 s LEU 89 Cb -0.10 -3.77 0.02 0.00 0.01 0.00 0.00 46.19 42.35 2dk6 s LEU 89 CO -0.09 -0.21 0.38 0.27 1.01 0.00 0.00 176.35 177.71 2dk6 s ILE 90 N -1.29 1.82 -0.09 -0.59 -4.36 -0.96 -0.70 121.20 115.02 2dk6 s ILE 90 Ca 0.48 -1.50 -0.30 0.00 -0.26 0.00 0.00 60.65 59.07 2dk6 s ILE 90 Cb -0.29 -2.32 0.11 0.00 1.25 0.00 0.00 42.46 41.21 2dk6 s ILE 90 CO 0.37 0.00 0.88 -1.59 0.24 0.00 0.00 174.94 174.84 2dk6 s LYS 91 N -4.23 0.78 -0.31 0.37 -2.85 -0.45 -4.86 119.74 108.19 2dk6 s LYS 91 Ca 0.36 0.08 0.02 0.00 -1.00 0.00 0.00 55.97 55.43 2dk6 s LYS 91 Cb -0.02 0.37 0.09 0.00 -2.06 0.00 0.00 37.83 36.21 2dk6 s LYS 91 CO 0.22 -0.27 0.03 0.50 0.10 0.00 0.00 175.35 175.94 2dk6 s ARG 92 N -1.55 1.34 0.23 1.78 3.52 -1.26 -1.22 118.95 121.79 2dk6 s ARG 92 Ca -0.03 -1.46 0.05 0.00 -0.13 0.00 0.00 55.73 54.16 2dk6 s ARG 92 Cb -0.00 -2.74 -0.05 0.00 -1.56 0.00 0.00 34.95 30.59 2dk6 s ARG 92 CO 0.02 -0.87 -0.06 0.00 -0.81 0.00 0.00 175.30 173.58 2dk6 s ALA 93 N 1.20 1.99 0.41 6.12 0.00 -0.79 -4.91 121.76 125.79 2dk6 s ALA 93 Ca 0.06 -1.76 -0.25 0.00 0.00 0.00 0.00 51.96 50.01 2dk6 s ALA 93 Cb -0.19 0.22 -0.08 0.00 0.00 0.00 0.00 23.12 23.08 2dk6 s ALA 93 CO -0.12 -0.11 1.18 -1.25 0.00 0.00 0.00 175.76 175.46 2dk6 s PRO 94 N -3.76 3.97 0.11 0.00 0.04 -1.26 0.47 135.00 134.57 2dk6 s PRO 94 Ca 0.26 1.86 -0.32 0.00 0.04 0.00 0.00 61.00 62.84 2dk6 s PRO 94 Cb 0.03 -2.62 -0.18 0.00 0.04 0.00 0.00 34.50 31.77 2dk6 s PRO 94 CO 0.08 -0.39 0.73 1.19 0.04 0.00 0.00 177.00 178.65 2dk6 n PHE 95 N -0.05 0.02 -0.21 0.56 3.01 -1.18 -4.75 117.46 114.86 2dk6 n PHE 95 Ca 0.05 0.97 -0.01 0.00 1.01 0.00 0.00 57.45 59.47 2dk6 n PHE 95 Cb 0.46 -1.93 0.06 0.00 -0.01 0.00 0.00 39.48 38.07 2dk6 n PHE 95 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2dk6 h SER 96 N 1.82 -0.60 -2.63 4.37 0.87 -1.95 -3.38 113.55 112.05 2dk6 h SER 96 Ca -0.37 0.19 -0.56 0.00 -1.23 0.00 0.00 61.79 59.83 2dk6 h SER 96 Cb 1.37 0.40 -0.02 0.00 -0.44 0.00 0.00 62.40 63.71 2dk6 h SER 96 CO 0.58 -0.21 1.15 -0.55 -0.53 0.00 0.00 176.83 177.27 2dk6 s SER 97 N -5.23 6.42 0.00 6.23 0.15 -1.26 -4.99 113.70 115.01 2dk6 s SER 97 Ca -0.14 1.92 0.00 0.00 0.70 0.00 0.00 55.95 58.43 2dk6 s SER 97 Cb 0.19 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2dk6 s SER 97 CO 0.74 -1.18 0.00 0.61 1.20 0.00 0.00 173.24 174.60 2dk6 n GLY 98 N 4.55 -3.01 3.56 9.45 0.00 -1.26 -4.60 105.19 113.87 2dk6 n GLY 98 Ca 0.19 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 2.58 -0.61 1.61 0.04 -1.26 -4.89 135.00 132.46 2dk6 s PRO 99 Ca 0.00 0.02 0.04 0.00 0.04 0.00 0.00 61.00 61.10 2dk6 s PRO 99 Cb 0.00 -4.84 0.15 0.00 0.04 0.00 0.00 34.50 29.86 2dk6 s PRO 99 CO 0.00 -3.16 0.39 -1.54 0.04 0.00 0.00 177.00 172.73 2dk6 s SER 100 N 8.07 4.42 -1.76 6.66 1.04 -1.26 -4.83 113.70 126.03 2dk6 s SER 100 Ca 0.69 -3.45 -0.19 0.00 0.48 0.00 0.00 55.95 53.48 2dk6 s SER 100 Cb -0.09 -1.54 0.18 0.00 0.10 0.00 0.00 66.02 64.67 2dk6 s SER 100 CO 0.06 -0.15 0.66 -1.20 0.98 0.00 0.00 173.24 173.59 2dk6 n SER 101 N 2.50 -2.36 0.00 7.02 7.64 -1.26 -5.20 113.62 121.96 2dk6 n SER 101 Ca 0.14 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.90 2dk6 n SER 101 Cb 0.35 -2.22 0.00 0.00 -1.01 0.00 0.00 64.21 61.32 2dk6 n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64