#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 -0.23 -0.54 1.61 0.15 -1.26 -5.06 113.70 108.36 2dk6 s SER 2 Ca 0.00 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.63 2dk6 s SER 2 Cb 0.00 0.29 0.13 0.00 -1.71 0.00 0.00 66.02 64.74 2dk6 s SER 2 CO 0.00 -0.49 0.28 -0.44 1.20 0.00 0.00 173.24 173.80 2dk6 s SER 3 N -2.48 4.36 0.31 5.45 0.01 -1.26 -5.09 113.70 115.00 2dk6 s SER 3 Ca 0.08 -3.11 -0.29 0.00 1.31 0.00 0.00 55.95 53.95 2dk6 s SER 3 Cb -0.00 -1.63 -0.11 0.00 0.21 0.00 0.00 66.02 64.49 2dk6 s SER 3 CO -0.06 -0.21 1.43 -0.83 0.41 0.00 0.00 173.24 173.98 2dk6 s GLY 4 N -0.42 2.68 -0.28 3.44 0.00 -1.26 -4.85 107.32 106.62 2dk6 s GLY 4 Ca 0.18 1.41 -0.25 0.00 0.00 0.00 0.00 44.72 46.06 2dk6 s GLY 4 CO -0.02 2.20 0.96 -0.45 0.00 0.00 0.00 173.10 175.79 2dk6 s SER 5 N -0.02 -0.52 -1.10 1.64 0.15 -1.26 -5.09 113.70 107.49 2dk6 s SER 5 Ca 0.55 1.00 -0.20 0.00 0.70 0.00 0.00 55.95 57.99 2dk6 s SER 5 Cb -0.43 1.03 0.07 0.00 -1.71 0.00 0.00 66.02 64.98 2dk6 s SER 5 CO 0.52 -0.17 1.49 -0.44 1.20 0.00 0.00 173.24 175.84 2dk6 s SER 6 N 0.32 6.65 0.00 5.45 0.01 -1.26 -4.84 113.70 120.03 2dk6 s SER 6 Ca 0.02 -1.91 0.00 0.00 1.31 0.00 0.00 55.95 55.37 2dk6 s SER 6 Cb -0.05 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2dk6 s SER 6 CO -0.05 -1.31 0.00 0.61 0.41 0.00 0.00 173.24 172.90 2dk6 n GLY 7 N 6.11 1.78 3.26 3.44 0.00 -1.26 -5.12 105.19 113.41 2dk6 n GLY 7 Ca 0.37 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 2dk6 n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dk6 n ASN 8 N 0.00 -3.14 -4.59 1.61 4.13 -1.26 -4.87 115.26 107.14 2dk6 n ASN 8 Ca 0.00 -0.52 -0.42 0.00 1.68 0.00 0.00 54.58 55.31 2dk6 n ASN 8 Cb 0.00 -1.03 -0.02 0.00 -1.54 0.00 0.00 39.78 37.18 2dk6 n ASN 8 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2dk6 s GLU 9 N -4.44 3.54 -1.14 3.52 0.41 -1.26 -4.95 118.70 114.37 2dk6 s GLU 9 Ca 0.62 0.48 -0.17 0.00 -0.41 0.00 0.00 54.97 55.50 2dk6 s GLU 9 Cb -0.15 -4.01 0.13 0.00 -1.78 0.00 0.00 34.13 28.32 2dk6 s GLU 9 CO 0.57 -1.64 1.43 0.14 -0.49 0.00 0.00 175.26 175.27 2dk6 s VAL 10 N 5.12 4.68 -0.14 2.63 -7.23 -1.26 -4.99 120.40 119.21 2dk6 s VAL 10 Ca 0.49 -2.08 -0.17 0.00 -1.81 0.00 0.00 61.98 58.41 2dk6 s VAL 10 Cb -0.09 -4.95 -0.04 0.00 0.56 0.00 0.00 36.38 31.86 2dk6 s VAL 10 CO 0.28 -1.71 0.44 1.51 -0.31 0.00 0.00 175.10 175.31 2dk6 s ASP 11 N 3.49 6.59 -0.46 4.85 1.47 -1.26 -4.76 116.67 126.59 2dk6 s ASP 11 Ca 0.43 0.71 -0.15 0.00 1.18 0.00 0.00 52.55 54.72 2dk6 s ASP 11 Cb -0.02 -2.26 0.07 0.00 -0.34 0.00 0.00 42.92 40.37 2dk6 s ASP 11 CO -0.01 -0.01 0.37 -0.62 0.68 0.00 0.00 175.17 175.58 2dk6 s ASP 12 N 0.70 6.10 -0.09 2.11 -1.08 -1.26 -4.81 116.67 118.34 2dk6 s ASP 12 Ca 0.23 -1.30 -0.01 0.00 -0.52 0.00 0.00 52.55 50.95 2dk6 s ASP 12 Cb -0.15 -2.16 0.03 0.00 -1.46 0.00 0.00 42.92 39.18 2dk6 s ASP 12 CO 0.09 -0.62 -0.03 -0.04 0.52 0.00 0.00 175.17 175.08 2dk6 s MET 13 N 1.63 1.02 0.07 4.34 -1.94 -1.26 -4.97 119.30 118.19 2dk6 s MET 13 Ca 0.04 -0.06 -0.26 0.00 -1.71 0.00 0.00 55.69 53.70 2dk6 s MET 13 Cb -0.24 -1.23 0.09 0.00 2.01 0.00 0.00 34.83 35.46 2dk6 s MET 13 CO 0.07 -0.28 1.17 0.16 -0.01 0.00 0.00 175.02 176.13 2dk6 s ASP 14 N 1.81 -0.02 0.00 3.03 1.47 -1.26 -5.09 116.67 116.61 2dk6 s ASP 14 Ca 0.04 -0.39 0.00 0.00 1.18 0.00 0.00 52.55 53.39 2dk6 s ASP 14 Cb -0.12 0.31 0.00 0.00 -0.34 0.00 0.00 42.92 42.76 2dk6 s ASP 14 CO -0.06 -0.60 0.00 1.07 0.68 0.00 0.00 175.17 176.26 2dk6 n THR 15 N -0.73 0.00 -2.94 2.11 5.66 -1.26 -5.03 114.28 112.09 2dk6 n THR 15 Ca -0.01 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.76 2dk6 n THR 15 Cb 0.60 -0.54 0.01 0.00 -1.55 0.00 0.00 70.33 68.85 2dk6 n THR 15 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2dk6 s SER 16 N -4.10 5.74 -1.71 1.09 0.01 -1.26 -4.34 113.70 109.14 2dk6 s SER 16 Ca 0.00 0.21 -0.18 0.00 1.31 0.00 0.00 55.95 57.29 2dk6 s SER 16 Cb 0.00 -1.40 0.16 0.00 0.21 0.00 0.00 66.02 64.99 2dk6 s SER 16 CO 0.00 -0.77 0.72 0.47 0.41 0.00 0.00 173.24 174.07 2dk6 n ASP 17 N -2.10 -2.82 -4.55 2.44 9.92 -1.26 -4.86 116.55 113.32 2dk6 n ASP 17 Ca 0.03 -1.05 -0.43 0.00 -0.53 0.00 0.00 54.79 52.81 2dk6 n ASP 17 Cb 0.58 -2.60 -0.04 0.00 -0.64 0.00 0.00 41.12 38.42 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 -3.36 4.36 -0.11 -3.53 2.01 -1.26 -5.01 115.64 108.74 2dk6 s THR 18 Ca 0.69 0.55 -0.26 0.00 0.31 0.00 0.00 61.69 62.98 2dk6 s THR 18 Cb -0.38 -4.53 -0.02 0.00 0.01 0.00 0.00 72.50 67.58 2dk6 s THR 18 CO 0.94 -1.05 0.86 -1.10 -0.69 0.00 0.00 174.62 173.59 2dk6 s GLN 19 N 4.04 4.39 -0.48 4.92 -0.21 -1.26 -5.02 119.66 126.04 2dk6 s GLN 19 Ca 0.35 1.13 -0.22 0.00 0.02 0.00 0.00 55.36 56.64 2dk6 s GLN 19 Cb -0.11 -3.53 0.03 0.00 1.00 0.00 0.00 33.01 30.41 2dk6 s GLN 19 CO 0.23 -0.21 0.74 -1.58 -2.12 0.00 0.00 175.29 172.35 2dk6 s TRP 20 N 1.69 2.99 0.30 0.91 0.52 -1.26 -2.28 118.94 121.81 2dk6 s TRP 20 Ca 0.42 -0.07 0.02 0.00 0.02 0.00 0.00 56.10 56.49 2dk6 s TRP 20 Cb -0.18 -3.62 -0.03 0.00 -1.15 0.00 0.00 33.47 28.49 2dk6 s TRP 20 CO 0.17 -1.03 0.47 0.20 0.02 0.00 0.00 176.95 176.78 2dk6 s GLY 21 N 2.33 1.35 -0.03 0.98 0.00 0.66 -4.93 107.32 107.68 2dk6 s GLY 21 Ca 0.25 -1.00 0.03 0.00 0.00 0.00 0.00 44.72 44.00 2dk6 s GLY 21 CO 0.19 -0.96 -0.09 -0.98 0.00 0.00 0.00 173.10 171.26 2dk6 s TRP 22 N -2.16 2.84 0.28 1.90 0.52 -1.26 -2.01 118.94 119.05 2dk6 s TRP 22 Ca 0.38 -0.05 0.03 0.00 0.02 0.00 0.00 56.10 56.48 2dk6 s TRP 22 Cb -0.10 -1.64 -0.06 0.00 -1.15 0.00 0.00 33.47 30.52 2dk6 s TRP 22 CO 0.33 0.31 0.04 -0.06 0.02 0.00 0.00 176.95 177.59 2dk6 s PHE 23 N -0.86 1.77 -0.23 -1.98 0.40 -0.74 0.15 117.98 116.49 2dk6 s PHE 23 Ca 0.14 -0.98 -0.11 0.00 -0.60 0.00 0.00 56.93 55.38 2dk6 s PHE 23 Cb -0.11 -1.10 0.08 0.00 0.51 0.00 0.00 43.02 42.41 2dk6 s PHE 23 CO 0.03 -0.06 0.53 1.52 0.70 0.00 0.00 175.22 177.95 2dk6 s TYR 24 N -3.41 -0.89 0.16 0.36 -0.85 -1.10 -2.85 117.35 108.78 2dk6 s TYR 24 Ca 0.34 1.75 -0.30 0.00 -0.52 0.00 0.00 57.07 58.34 2dk6 s TYR 24 Cb 0.07 0.47 -0.08 0.00 0.38 0.00 0.00 41.96 42.81 2dk6 s TYR 24 CO 0.13 -0.47 1.21 -1.17 -1.52 0.00 0.00 175.55 173.72 2dk6 s LEU 25 N 1.92 4.43 0.56 -3.49 0.20 0.11 -1.30 118.68 121.12 2dk6 s LEU 25 Ca -0.08 2.21 0.07 0.00 0.69 0.00 0.00 54.13 57.02 2dk6 s LEU 25 Cb -0.09 -3.60 0.06 0.00 -0.43 0.00 0.00 46.19 42.13 2dk6 s LEU 25 CO -0.16 -0.40 0.53 0.00 -0.29 0.00 0.00 176.35 176.03 2dk6 s ALA 26 N 0.16 4.55 0.38 5.97 0.00 -1.08 -4.11 121.76 127.63 2dk6 s ALA 26 Ca 0.54 -1.51 0.39 0.00 0.00 0.00 0.00 51.96 51.38 2dk6 s ALA 26 Cb -0.32 -0.95 1.92 0.00 0.00 0.00 0.00 23.12 23.76 2dk6 s ALA 26 CO 0.35 -0.60 2.18 1.05 0.00 0.00 0.00 175.76 178.75 2dk6 h GLU 27 N 0.54 0.00 -0.92 0.00 4.11 -1.96 -2.02 114.58 114.33 2dk6 h GLU 27 Ca -0.34 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.98 2dk6 h GLU 27 Cb 1.30 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.49 2dk6 h GLU 27 CO 0.52 0.00 0.14 0.00 0.07 0.00 0.00 179.01 179.74 2dk6 n GLY 29 N 0.04 -0.47 2.85 0.00 0.00 -0.76 -4.91 105.19 101.94 2dk6 n GLY 29 Ca 0.18 0.06 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 -5.94 1.20 -0.50 1.61 2.20 -1.26 -4.93 119.74 112.13 2dk6 s LYS 30 Ca 0.36 -0.23 -0.28 0.00 -0.36 0.00 0.00 55.97 55.46 2dk6 s LYS 30 Cb -0.20 -1.56 0.01 0.00 -1.51 0.00 0.00 37.83 34.57 2dk6 s LYS 30 CO 0.44 -0.34 1.47 -1.58 -0.36 0.00 0.00 175.35 174.98 2dk6 s TRP 31 N 1.77 2.25 -0.33 4.03 0.52 -1.26 -2.62 118.94 123.29 2dk6 s TRP 31 Ca 0.04 0.57 -0.20 0.00 0.02 0.00 0.00 56.10 56.53 2dk6 s TRP 31 Cb -0.13 -4.33 -0.00 0.00 -1.15 0.00 0.00 33.47 27.85 2dk6 s TRP 31 CO -0.07 -2.06 0.59 -1.01 0.02 0.00 0.00 176.95 174.41 2dk6 s HIS 32 N 6.11 3.18 -0.09 -1.98 3.76 -0.42 -4.75 115.29 121.10 2dk6 s HIS 32 Ca 0.58 0.38 -0.30 0.00 -0.15 0.00 0.00 55.06 55.57 2dk6 s HIS 32 Cb -0.13 -3.01 -0.08 0.00 1.11 0.00 0.00 32.58 30.47 2dk6 s HIS 32 CO 0.28 -0.54 2.07 -0.12 -0.85 0.00 0.00 174.74 175.58 2dk6 n MET 33 N 5.88 2.37 -0.99 1.40 1.56 -1.26 -2.69 117.12 123.39 2dk6 n MET 33 Ca -0.02 0.80 -0.33 0.00 -0.27 0.00 0.00 57.70 57.88 2dk6 n MET 33 Cb 0.49 -3.02 -0.01 0.00 2.15 0.00 0.00 33.22 32.83 2dk6 n MET 33 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 2dk6 n PHE 34 N 9.03 -1.15 -3.57 1.12 3.01 0.12 -4.94 117.46 121.08 2dk6 n PHE 34 Ca 0.25 0.55 -0.07 0.00 1.01 0.00 0.00 57.45 59.19 2dk6 n PHE 34 Cb 0.40 -1.37 -0.03 0.00 -0.01 0.00 0.00 39.48 38.47 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 -0.74 0.53 -0.34 -1.08 -0.21 -1.26 -3.96 119.66 112.60 2dk6 s GLN 35 Ca 0.45 -0.07 -0.29 0.00 0.02 0.00 0.00 55.36 55.47 2dk6 s GLN 35 Cb -0.55 0.25 -0.01 0.00 1.00 0.00 0.00 33.01 33.70 2dk6 s GLN 35 CO 0.45 -0.21 1.69 -1.25 -2.12 0.00 0.00 175.29 173.85 2dk6 s PRO 36 N -2.07 3.44 1.09 2.91 0.04 -1.26 -4.72 135.00 134.43 2dk6 s PRO 36 Ca 0.04 1.34 -0.18 0.00 0.04 0.00 0.00 61.00 62.25 2dk6 s PRO 36 Cb -0.01 -4.14 0.24 0.00 0.04 0.00 0.00 34.50 30.63 2dk6 s PRO 36 CO -0.04 -1.73 1.19 -0.51 0.04 0.00 0.00 177.00 175.95 2dk6 s ASP 37 N 5.40 1.91 0.80 6.66 1.01 -1.25 -4.96 116.67 126.23 2dk6 s ASP 37 Ca 0.75 0.53 -0.16 0.00 0.71 0.00 0.00 52.55 54.38 2dk6 s ASP 37 Cb -0.21 -0.72 -0.14 0.00 1.01 0.00 0.00 42.92 42.87 2dk6 s ASP 37 CO 0.33 -3.50 -0.59 0.35 0.21 0.00 0.00 175.17 171.98 2dk6 n THR 38 N -4.33 0.00 -0.29 -1.27 -2.24 -1.26 -3.89 114.28 101.00 2dk6 n THR 38 Ca 0.13 -0.45 0.09 0.00 -2.27 0.00 0.00 64.05 61.55 2dk6 n THR 38 Cb 0.59 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.69 0.43 -0.63 3.42 2.35 -1.95 0.48 115.58 118.98 2dk6 h ASN 39 Ca -0.39 0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.38 2dk6 h ASN 39 Cb 1.20 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.61 2dk6 h ASN 39 CO 0.25 0.12 0.03 -1.28 -1.65 0.00 0.00 177.43 174.90 2dk6 h SER 40 N 0.52 1.07 -0.88 5.81 0.87 -1.95 -2.89 113.55 116.09 2dk6 h SER 40 Ca 0.49 -0.29 -0.52 0.00 -1.23 0.00 0.00 61.79 60.24 2dk6 h SER 40 Cb 0.80 -0.29 -0.28 0.00 -0.44 0.00 0.00 62.40 62.20 2dk6 h SER 40 CO -0.43 1.10 0.51 0.00 -0.53 0.00 0.00 176.83 177.48 2dk6 n GLN 41 N -4.19 2.41 -3.25 2.24 1.13 0.06 -4.10 117.38 111.69 2dk6 n GLN 41 Ca 0.03 -3.21 -0.46 0.00 -1.94 0.00 0.00 57.00 51.43 2dk6 n GLN 41 Cb 0.33 -2.16 -0.04 0.00 0.11 0.00 0.00 30.24 28.48 2dk6 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dk6 n SER 43 N 5.13 0.38 -4.20 0.00 3.41 -1.26 -4.96 113.62 112.12 2dk6 n SER 43 Ca -0.02 0.06 -0.16 0.00 -0.26 0.00 0.00 58.87 58.49 2dk6 n SER 43 Cb 0.43 -0.30 -0.11 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.36 1.07 0.23 -3.33 -7.23 -1.26 -5.03 120.40 103.49 2dk6 s VAL 44 Ca -0.03 -1.67 0.10 0.00 -1.81 0.00 0.00 61.98 58.57 2dk6 s VAL 44 Cb 0.00 -1.42 -0.05 0.00 0.56 0.00 0.00 36.38 35.48 2dk6 s VAL 44 CO 0.05 -0.51 -0.17 -0.44 -0.31 0.00 0.00 175.10 173.71 2dk6 s SER 45 N -2.45 2.99 0.34 4.85 0.01 -1.26 -4.41 113.70 113.77 2dk6 s SER 45 Ca 0.07 -0.99 0.27 0.00 1.31 0.00 0.00 55.95 56.60 2dk6 s SER 45 Cb -0.04 -0.20 1.13 0.00 0.21 0.00 0.00 66.02 67.13 2dk6 s SER 45 CO 0.01 -0.06 1.14 -1.54 0.41 0.00 0.00 173.24 173.20 2dk6 n SER 46 N -0.34 0.12 0.31 2.44 3.41 -1.25 0.46 113.62 118.76 2dk6 n SER 46 Ca -0.08 0.94 -0.12 0.00 -0.26 0.00 0.00 58.87 59.35 2dk6 n SER 46 Cb 0.60 -0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.78 -0.84 4.33 4.57 -1.94 -2.68 114.58 117.24 2dk6 h GLU 47 Ca 0.65 0.05 0.11 0.00 -1.18 0.00 0.00 59.36 59.00 2dk6 h GLU 47 Cb 2.25 0.18 -0.13 0.00 -0.16 0.00 0.00 28.75 30.88 2dk6 h GLU 47 CO -0.26 -0.52 -0.45 -0.44 -1.18 0.00 0.00 179.01 176.16 2dk6 h ASP 48 N -0.97 -1.62 -1.00 1.04 5.19 -0.38 0.65 116.42 119.33 2dk6 h ASP 48 Ca -0.08 0.29 0.22 0.00 -0.62 0.00 0.00 57.03 56.83 2dk6 h ASP 48 Cb 0.62 0.77 -0.12 0.00 0.18 0.00 0.00 39.33 40.79 2dk6 h ASP 48 CO 0.14 -0.29 0.60 0.40 -3.12 0.00 0.00 179.24 176.97 2dk6 h ILE 49 N -0.09 0.62 0.37 0.35 5.03 -1.54 0.29 117.51 122.54 2dk6 h ILE 49 Ca 0.24 -0.23 -0.02 0.00 -0.12 0.00 0.00 64.86 64.73 2dk6 h ILE 49 Cb 0.54 -0.11 0.00 0.00 -3.03 0.00 0.00 36.82 34.22 2dk6 h ILE 49 CO -0.86 0.12 -0.18 -0.08 -0.68 0.00 0.00 178.15 176.47 2dk6 h GLU 50 N 0.68 -0.48 -0.67 2.37 4.57 0.50 -2.03 114.58 119.52 2dk6 h GLU 50 Ca 0.61 0.03 0.19 0.00 -1.18 0.00 0.00 59.36 59.02 2dk6 h GLU 50 Cb 1.05 0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.72 2dk6 h GLU 50 CO -0.43 -0.21 0.49 1.57 -1.18 0.00 0.00 179.01 179.25 2dk6 h LYS 51 N -1.05 0.00 0.00 1.92 2.10 -0.06 -0.45 116.57 119.04 2dk6 h LYS 51 Ca -0.05 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2dk6 h LYS 51 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2dk6 h LYS 51 CO 0.08 0.00 -0.00 0.77 -2.00 0.00 0.00 179.45 178.30 2dk6 h SER 52 N 0.00 -0.00 0.19 7.07 0.02 -0.44 -3.19 113.55 117.21 2dk6 h SER 52 Ca 0.32 -0.68 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 2dk6 h SER 52 Cb 1.30 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 2dk6 h SER 52 CO -0.00 0.68 -0.05 0.15 -1.14 0.00 0.00 176.83 176.46 2dk6 h PHE 53 N -0.69 0.00 0.14 3.45 3.04 -0.48 -2.55 116.94 119.85 2dk6 h PHE 53 Ca -0.00 0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.97 2dk6 h PHE 53 Cb 0.68 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.15 2dk6 h PHE 53 CO 0.16 0.05 -0.35 0.87 -2.02 0.00 0.00 178.31 177.03 2dk6 h LYS 54 N 0.00 -0.57 -0.17 1.11 1.79 -1.11 -0.03 116.57 117.58 2dk6 h LYS 54 Ca -0.00 0.04 -0.20 0.00 -2.18 0.00 0.00 60.65 58.31 2dk6 h LYS 54 Cb 0.16 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2dk6 h LYS 54 CO 0.01 -0.38 -0.68 0.00 -1.08 0.00 0.00 179.45 177.31 2dk6 h THR 55 N -0.59 1.30 -3.07 -0.16 1.03 -1.62 -3.39 112.91 106.41 2dk6 h THR 55 Ca 0.02 -1.93 -0.62 0.00 -0.01 0.00 0.00 66.41 63.88 2dk6 h THR 55 Cb 0.61 1.90 -0.40 0.00 -1.07 0.00 0.00 68.15 69.19 2dk6 h THR 55 CO -0.19 0.61 -0.71 0.21 -0.01 0.00 0.00 175.52 175.43 2dk6 s ASN 56 N -7.02 3.83 0.20 0.00 3.84 -0.98 -4.94 114.94 109.87 2dk6 s ASN 56 Ca -0.09 -2.87 0.21 0.00 0.21 0.00 0.00 52.86 50.33 2dk6 s ASN 56 Cb 0.10 -1.22 0.90 0.00 -0.55 0.00 0.00 41.25 40.48 2dk6 s ASN 56 CO 0.88 -0.23 1.65 -0.81 -2.79 0.00 0.00 177.10 175.80 2dk6 n PRO 57 N 3.24 0.15 -1.25 0.43 -0.04 -0.05 -2.78 135.00 134.71 2dk6 n PRO 57 Ca 0.10 0.39 0.03 0.00 -0.04 0.00 0.00 63.50 63.97 2dk6 n PRO 57 Cb 0.35 -1.79 0.10 0.00 -0.04 0.00 0.00 33.50 32.12 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 -0.35 3.25 3.51 0.00 0.00 -1.12 -3.85 105.19 106.64 2dk6 n GLY 59 Ca 0.14 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.17 -0.16 -0.13 1.61 1.04 -1.26 -0.00 113.70 114.62 2dk6 s SER 60 Ca 0.00 -0.66 -0.04 0.00 0.48 0.00 0.00 55.95 55.73 2dk6 s SER 60 Cb 0.00 0.56 0.05 0.00 0.10 0.00 0.00 66.02 66.73 2dk6 s SER 60 CO 0.00 -1.05 0.08 -0.51 0.98 0.00 0.00 173.24 172.74 2dk6 s ILE 61 N -3.92 -0.06 -0.18 -1.02 2.07 -0.88 -4.96 121.20 112.24 2dk6 s ILE 61 Ca 0.14 0.01 -0.10 0.00 -1.41 0.00 0.00 60.65 59.29 2dk6 s ILE 61 Cb -0.00 -0.46 -0.05 0.00 0.13 0.00 0.00 42.46 42.08 2dk6 s ILE 61 CO 0.01 -0.12 0.15 -0.94 -1.91 0.00 0.00 174.94 172.12 2dk6 s SER 62 N 2.13 6.28 0.31 4.50 1.04 -1.26 -2.30 113.70 124.40 2dk6 s SER 62 Ca 0.03 0.32 -0.11 0.00 0.48 0.00 0.00 55.95 56.67 2dk6 s SER 62 Cb -0.15 -2.10 0.01 0.00 0.10 0.00 0.00 66.02 63.89 2dk6 s SER 62 CO -0.07 0.22 0.55 0.72 0.98 0.00 0.00 173.24 175.65 2dk6 s PHE 63 N 0.06 0.50 -0.09 5.02 -0.12 -1.06 -5.06 117.98 117.22 2dk6 s PHE 63 Ca 0.10 -0.89 -0.07 0.00 -0.05 0.00 0.00 56.93 56.03 2dk6 s PHE 63 Cb -0.11 0.27 0.03 0.00 -0.63 0.00 0.00 43.02 42.57 2dk6 s PHE 63 CO 0.00 -1.17 0.23 0.95 -0.05 0.00 0.00 175.22 175.18 2dk6 s THR 64 N -3.38 -0.02 0.00 -4.49 -4.23 -1.26 -2.09 115.64 100.18 2dk6 s THR 64 Ca 0.23 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 2dk6 s THR 64 Cb -0.02 -0.34 0.00 0.00 1.34 0.00 0.00 72.50 73.48 2dk6 s THR 64 CO 0.13 0.02 0.02 0.35 -0.54 0.00 0.00 174.62 174.60 2dk6 n THR 65 N 3.43 0.00 0.02 3.99 -2.24 -1.14 -4.70 114.28 113.64 2dk6 n THR 65 Ca -0.17 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2dk6 n THR 65 Cb 0.56 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.20 0.30 0.00 3.42 2.88 -1.26 -4.69 113.62 113.08 2dk6 n SER 66 Ca 0.00 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.60 2dk6 n SER 66 Cb 0.00 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 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 -2.82 4.65 -4.06 -1.46 3.00 -1.26 -5.06 118.16 111.15 2dk6 n LYS 67 Ca 0.00 -0.01 -0.23 0.00 -0.00 0.00 0.00 58.31 58.07 2dk6 n LYS 67 Cb 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 35.03 34.63 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 -0.67 3.24 0.24 5.64 0.40 -1.26 -5.11 117.98 120.46 2dk6 s PHE 68 Ca 0.00 -0.05 0.11 0.00 -0.60 0.00 0.00 56.93 56.39 2dk6 s PHE 68 Cb 0.00 -1.49 -0.05 0.00 0.51 0.00 0.00 43.02 42.00 2dk6 s PHE 68 CO 0.00 0.50 -0.21 -1.12 0.70 0.00 0.00 175.22 175.09 2dk6 s SER 69 N -3.71 3.59 -0.15 1.36 0.01 -1.26 -2.87 113.70 110.66 2dk6 s SER 69 Ca 0.33 -0.92 -0.11 0.00 1.31 0.00 0.00 55.95 56.56 2dk6 s SER 69 Cb -0.09 -0.32 0.05 0.00 0.21 0.00 0.00 66.02 65.87 2dk6 s SER 69 CO 0.26 0.08 0.39 -0.31 0.41 0.00 0.00 173.24 174.06 2dk6 s TYR 70 N -2.08 -0.48 -0.06 2.43 2.02 -0.89 -3.66 117.35 114.63 2dk6 s TYR 70 Ca 0.26 1.11 0.06 0.00 -0.37 0.00 0.00 57.07 58.13 2dk6 s TYR 70 Cb -0.07 0.18 -0.01 0.00 -0.40 0.00 0.00 41.96 41.66 2dk6 s TYR 70 CO 0.13 -0.26 -0.24 0.21 -1.57 0.00 0.00 175.55 173.82 2dk6 s LYS 71 N 0.72 2.53 -0.38 -0.62 2.20 -0.04 -2.58 119.74 121.57 2dk6 s LYS 71 Ca -0.04 -0.89 0.03 0.00 -0.36 0.00 0.00 55.97 54.71 2dk6 s LYS 71 Cb -0.05 -2.18 0.11 0.00 -1.51 0.00 0.00 37.83 34.20 2dk6 s LYS 71 CO -0.05 0.41 0.12 0.42 -0.36 0.00 0.00 175.35 175.89 2dk6 s ILE 72 N -0.23 2.01 -0.32 5.43 1.01 -0.97 0.17 121.20 128.31 2dk6 s ILE 72 Ca -0.02 -2.41 -0.25 0.00 0.00 0.00 0.00 60.65 57.97 2dk6 s ILE 72 Cb -0.13 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.88 2dk6 s ILE 72 CO 0.03 -0.68 0.88 -1.81 0.00 0.00 0.00 174.94 173.36 2dk6 s ASP 73 N 0.72 6.74 0.04 3.58 1.11 -0.85 -2.08 116.67 125.94 2dk6 s ASP 73 Ca 0.13 0.76 -0.18 0.00 0.18 0.00 0.00 52.55 53.44 2dk6 s ASP 73 Cb -0.21 -2.45 -0.18 0.00 1.07 0.00 0.00 42.92 41.15 2dk6 s ASP 73 CO -0.09 -0.71 1.23 -0.26 1.18 0.00 0.00 175.17 176.53 2dk6 h PHE 74 N 8.14 0.71 -0.89 4.23 0.04 -0.67 -2.23 116.94 126.27 2dk6 h PHE 74 Ca -0.23 -0.31 0.21 0.00 2.80 0.00 0.00 57.97 60.43 2dk6 h PHE 74 Cb 1.08 -0.11 -0.12 0.00 2.20 0.00 0.00 35.95 39.01 2dk6 h PHE 74 CO 0.80 1.09 0.40 0.00 -0.60 0.00 0.00 178.31 180.00 2dk6 h ALA 75 N 0.48 1.41 -0.00 2.45 0.00 -1.64 0.76 119.26 122.71 2dk6 h ALA 75 Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2dk6 h ALA 75 Cb 1.15 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2dk6 h ALA 75 CO 0.10 -0.29 -0.20 0.39 0.00 0.00 0.00 179.25 179.26 2dk6 n GLU 76 N -5.01 0.66 -3.77 0.00 1.02 -1.22 -4.94 120.64 107.38 2dk6 n GLU 76 Ca 0.21 -0.31 -0.25 0.00 -0.02 0.00 0.00 57.16 56.79 2dk6 n GLU 76 Cb 0.61 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.90 -5.46 -3.43 3.49 2.81 0.26 -4.97 117.12 108.93 2dk6 n MET 77 Ca 0.12 0.63 -0.13 0.00 -1.81 0.00 0.00 57.70 56.52 2dk6 n MET 77 Cb 0.31 -5.38 -0.02 0.00 -0.71 0.00 0.00 33.22 27.42 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 1.26 -0.24 0.03 -2.85 -0.88 -3.63 119.74 107.18 2dk6 s LYS 78 Ca 0.32 -0.39 -0.12 0.00 -1.00 0.00 0.00 55.97 54.77 2dk6 s LYS 78 Cb -0.16 0.58 -0.05 0.00 -2.06 0.00 0.00 37.83 36.15 2dk6 s LYS 78 CO 0.81 -0.54 0.25 -1.14 0.10 0.00 0.00 175.35 174.84 2dk6 s GLN 79 N -3.48 4.07 -0.29 1.78 0.74 -1.24 -2.01 119.66 119.23 2dk6 s GLN 79 Ca -0.00 -0.12 -0.15 0.00 0.05 0.00 0.00 55.36 55.14 2dk6 s GLN 79 Cb -0.01 -3.57 -0.03 0.00 1.10 0.00 0.00 33.01 30.50 2dk6 s GLN 79 CO -0.11 -0.04 0.36 1.41 -0.55 0.00 0.00 175.29 176.36 2dk6 s MET 80 N 1.35 3.86 0.33 1.67 -2.45 0.44 -3.52 119.30 120.98 2dk6 s MET 80 Ca 0.11 -0.14 -0.25 0.00 -1.25 0.00 0.00 55.69 54.16 2dk6 s MET 80 Cb -0.14 -3.70 -0.10 0.00 1.25 0.00 0.00 34.83 32.13 2dk6 s MET 80 CO 0.07 -0.35 0.93 -0.80 1.05 0.00 0.00 175.02 175.92 2dk6 s ASN 81 N 1.69 7.30 -0.07 1.11 -0.87 -1.13 -0.86 114.94 122.10 2dk6 s ASN 81 Ca 0.13 1.80 0.06 0.00 -1.57 0.00 0.00 52.86 53.28 2dk6 s ASN 81 Cb -0.16 -2.57 -0.08 0.00 -0.02 0.00 0.00 41.25 38.42 2dk6 s ASN 81 CO 0.11 -0.08 0.01 0.18 -2.57 0.00 0.00 177.10 174.75 2dk6 n LEU 82 N 0.48 0.36 0.09 0.60 7.99 -1.24 -3.48 117.00 121.80 2dk6 n LEU 82 Ca 0.02 -0.01 -0.13 0.00 -0.01 0.00 0.00 56.01 55.89 2dk6 n LEU 82 Cb 0.50 0.12 -0.08 0.00 -0.11 0.00 0.00 43.42 43.85 2dk6 n LEU 82 CO 0.44 0.23 0.56 0.00 -1.51 0.00 0.00 177.39 177.11 2dk6 h THR 83 N 0.00 0.90 0.00 -5.08 1.03 -1.94 -3.38 112.91 104.45 2dk6 h THR 83 Ca -0.19 -0.77 -0.11 0.00 -0.01 0.00 0.00 66.41 65.32 2dk6 h THR 83 Cb 1.42 1.34 -0.02 0.00 -1.07 0.00 0.00 68.15 69.82 2dk6 h THR 83 CO 0.01 0.17 -1.72 0.35 -0.01 0.00 0.00 175.52 174.31 2dk6 n THR 84 N -5.03 0.40 -1.71 0.00 -2.24 -1.26 -5.02 114.28 99.42 2dk6 n THR 84 Ca -0.09 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2dk6 n THR 84 Cb 0.25 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 1.98 0.63 3.82 3.38 0.00 -1.23 -5.06 105.19 108.72 2dk6 n GLY 85 Ca -0.11 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.56 0.70 -0.07 1.61 -0.14 -1.26 -4.78 119.74 112.24 2dk6 s LYS 86 Ca 0.00 -0.05 -0.01 0.00 -1.36 0.00 0.00 55.97 54.55 2dk6 s LYS 86 Cb 0.00 -1.82 0.03 0.00 -1.68 0.00 0.00 37.83 34.36 2dk6 s LYS 86 CO 0.00 -2.43 -0.00 -0.65 -0.76 0.00 0.00 175.35 171.51 2dk6 s GLN 87 N -5.57 0.63 0.41 1.68 -0.21 -1.26 -2.84 119.66 112.51 2dk6 s GLN 87 Ca 0.68 0.09 0.02 0.00 0.02 0.00 0.00 55.36 56.17 2dk6 s GLN 87 Cb -0.09 -0.96 -0.01 0.00 1.00 0.00 0.00 33.01 32.95 2dk6 s GLN 87 CO 0.53 -0.28 0.07 2.89 -2.12 0.00 0.00 175.29 176.37 2dk6 n ARG 88 N 5.04 0.76 -4.43 2.91 1.85 -1.23 -5.06 116.66 116.50 2dk6 n ARG 88 Ca -0.09 -3.21 -0.26 0.00 -1.00 0.00 0.00 57.85 53.30 2dk6 n ARG 88 Cb 0.50 1.30 -0.11 0.00 -1.05 0.00 0.00 32.46 33.09 2dk6 n ARG 88 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2dk6 s LEU 89 N 0.00 2.47 0.16 2.89 1.43 -1.26 -3.68 118.68 120.68 2dk6 s LEU 89 Ca 0.10 -0.90 0.04 0.00 -1.03 0.00 0.00 54.13 52.34 2dk6 s LEU 89 Cb 0.00 -1.13 -0.05 0.00 0.03 0.00 0.00 46.19 45.05 2dk6 s LEU 89 CO 0.07 0.09 -0.09 0.27 0.23 0.00 0.00 176.35 176.92 2dk6 s ILE 90 N -1.87 1.18 -0.10 -0.59 -4.36 -1.24 0.09 121.20 114.31 2dk6 s ILE 90 Ca 0.22 -2.06 -0.16 0.00 -0.26 0.00 0.00 60.65 58.38 2dk6 s ILE 90 Cb -0.07 -1.92 0.04 0.00 1.25 0.00 0.00 42.46 41.76 2dk6 s ILE 90 CO 0.11 -0.69 0.41 -1.59 0.24 0.00 0.00 174.94 173.41 2dk6 s LYS 91 N -3.76 0.62 -0.26 0.37 -2.85 -1.13 -4.88 119.74 107.85 2dk6 s LYS 91 Ca 0.18 0.27 -0.04 0.00 -1.00 0.00 0.00 55.97 55.39 2dk6 s LYS 91 Cb 0.03 0.29 0.01 0.00 -2.06 0.00 0.00 37.83 36.10 2dk6 s LYS 91 CO 0.02 -0.13 -0.01 0.50 0.10 0.00 0.00 175.35 175.83 2dk6 s ARG 92 N -0.48 3.03 0.15 1.78 3.52 -1.26 -1.80 118.95 123.89 2dk6 s ARG 92 Ca -0.06 -0.87 -0.14 0.00 -0.13 0.00 0.00 55.73 54.54 2dk6 s ARG 92 Cb -0.03 -3.12 0.02 0.00 -1.56 0.00 0.00 34.95 30.25 2dk6 s ARG 92 CO 0.03 -0.37 0.38 0.00 -0.81 0.00 0.00 175.30 174.52 2dk6 s ALA 93 N 1.41 -0.58 0.63 6.12 0.00 -0.85 -5.01 121.76 123.48 2dk6 s ALA 93 Ca 0.02 -0.41 -0.16 0.00 0.00 0.00 0.00 51.96 51.41 2dk6 s ALA 93 Cb -0.16 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 2dk6 s ALA 93 CO -0.02 -0.68 1.12 -1.25 0.00 0.00 0.00 175.76 174.93 2dk6 s PRO 94 N -3.88 2.95 1.04 0.00 0.04 -1.26 -0.25 135.00 133.65 2dk6 s PRO 94 Ca 0.09 1.45 -0.24 0.00 0.04 0.00 0.00 61.00 62.34 2dk6 s PRO 94 Cb 0.02 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 2dk6 s PRO 94 CO -0.06 -1.14 -0.91 1.19 0.04 0.00 0.00 177.00 176.12 2dk6 n PHE 95 N -2.12 -1.56 -1.79 0.56 3.01 -0.96 -4.69 117.46 109.91 2dk6 n PHE 95 Ca 0.11 0.43 -0.30 0.00 1.01 0.00 0.00 57.45 58.70 2dk6 n PHE 95 Cb 0.52 -1.46 0.04 0.00 -0.01 0.00 0.00 39.48 38.57 2dk6 n PHE 95 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2dk6 n SER 96 N 1.51 6.26 -4.31 4.37 3.41 -1.26 -4.86 113.62 118.74 2dk6 n SER 96 Ca -0.01 -3.77 -0.37 0.00 -0.26 0.00 0.00 58.87 54.46 2dk6 n SER 96 Cb 0.69 -0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 63.89 2dk6 n SER 96 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dk6 n SER 97 N -0.75 -1.09 -4.05 4.04 3.41 -1.26 -4.64 113.62 109.28 2dk6 n SER 97 Ca 0.52 -1.17 -0.36 0.00 -0.26 0.00 0.00 58.87 57.59 2dk6 n SER 97 Cb 0.74 -1.49 0.04 0.00 -0.26 0.00 0.00 64.21 63.24 2dk6 n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dk6 n GLY 98 N -1.37 -4.35 3.63 5.00 0.00 -1.26 -4.78 105.19 102.07 2dk6 n GLY 98 Ca 0.01 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.86 3.86 -0.26 1.61 0.04 -1.26 -4.88 135.00 132.25 2dk6 s PRO 99 Ca 0.43 1.71 -0.10 0.00 0.04 0.00 0.00 61.00 63.09 2dk6 s PRO 99 Cb -0.24 -4.01 -0.15 0.00 0.04 0.00 0.00 34.50 30.14 2dk6 s PRO 99 CO 0.80 -1.21 -0.22 0.45 0.04 0.00 0.00 177.00 176.85 2dk6 n SER 100 N 8.19 1.96 -4.61 6.66 2.88 -1.26 -4.27 113.62 123.17 2dk6 n SER 100 Ca 0.18 0.22 -0.43 0.00 -1.33 0.00 0.00 58.87 57.51 2dk6 n SER 100 Cb 0.45 -0.74 -0.02 0.00 -0.75 0.00 0.00 64.21 63.15 2dk6 n SER 100 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dk6 s SER 101 N -7.16 6.63 0.00 -3.46 0.01 -1.26 -4.86 113.70 103.60 2dk6 s SER 101 Ca -0.36 0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.57 2dk6 s SER 101 Cb 0.12 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2dk6 s SER 101 CO 0.54 -1.21 0.00 0.61 0.41 0.00 0.00 173.24 173.59