#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 -1.33 -0.63 1.61 0.01 -1.26 -5.04 113.70 107.06 2dk6 s SER 2 Ca 0.00 1.05 -0.00 0.00 1.31 0.00 0.00 55.95 58.31 2dk6 s SER 2 Cb 0.00 2.20 0.43 0.00 0.21 0.00 0.00 66.02 68.87 2dk6 s SER 2 CO 0.00 -0.25 1.86 -1.54 0.41 0.00 0.00 173.24 173.73 2dk6 n SER 3 N 5.43 7.12 -2.71 2.44 3.41 -1.26 -4.65 113.62 123.40 2dk6 n SER 3 Ca -0.04 -3.79 -0.06 0.00 -0.26 0.00 0.00 58.87 54.72 2dk6 n SER 3 Cb 0.51 -0.87 0.06 0.00 -0.26 0.00 0.00 64.21 63.64 2dk6 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dk6 n GLY 4 N -0.80 -0.81 2.69 5.00 0.00 -1.26 -5.13 105.19 104.88 2dk6 n GLY 4 Ca 0.57 0.56 -0.20 0.00 0.00 0.00 0.00 46.02 46.96 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 -0.89 1.18 -0.01 1.61 0.15 -1.26 -5.14 113.70 109.34 2dk6 s SER 5 Ca 0.29 0.06 0.03 0.00 0.70 0.00 0.00 55.95 57.03 2dk6 s SER 5 Cb 0.21 -0.08 -0.01 0.00 -1.71 0.00 0.00 66.02 64.43 2dk6 s SER 5 CO -0.17 -0.26 -0.11 -0.94 1.20 0.00 0.00 173.24 172.97 2dk6 s SER 6 N 2.19 1.28 0.00 5.45 1.04 -1.26 -5.12 113.70 117.28 2dk6 s SER 6 Ca 0.04 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.28 2dk6 s SER 6 Cb -0.12 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.85 2dk6 s SER 6 CO -0.04 0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.92 2dk6 n GLY 7 N 2.80 4.26 3.62 7.32 0.00 -1.26 -5.17 105.19 116.76 2dk6 n GLY 7 Ca -0.14 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 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 1.57 4.59 0.52 1.61 0.01 -1.26 -5.10 114.94 116.89 2dk6 s ASN 8 Ca 0.00 -0.41 -0.22 0.00 -0.71 0.00 0.00 52.86 51.52 2dk6 s ASN 8 Cb 0.00 -0.93 -0.06 0.00 0.41 0.00 0.00 41.25 40.68 2dk6 s ASN 8 CO 0.00 0.12 1.34 -1.83 -1.51 0.00 0.00 177.10 175.23 2dk6 s GLU 9 N -2.66 3.28 0.35 -0.60 -1.05 -1.26 -4.92 118.70 111.84 2dk6 s GLU 9 Ca 0.25 2.20 -0.28 0.00 -0.15 0.00 0.00 54.97 56.99 2dk6 s GLU 9 Cb -0.10 -2.32 -0.11 0.00 -0.44 0.00 0.00 34.13 31.15 2dk6 s GLU 9 CO 0.17 -1.07 1.47 1.33 0.95 0.00 0.00 175.26 178.11 2dk6 n VAL 10 N -0.86 1.83 -3.56 1.83 0.24 -1.26 -5.01 118.33 111.53 2dk6 n VAL 10 Ca 0.09 -0.46 -0.21 0.00 -2.04 0.00 0.00 64.34 61.73 2dk6 n VAL 10 Cb 0.45 -1.89 -0.03 0.00 -1.47 0.00 0.00 33.84 30.90 2dk6 n VAL 10 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2dk6 s ASP 11 N -0.06 5.04 -0.99 -1.34 2.15 -1.26 -5.05 116.67 115.16 2dk6 s ASP 11 Ca 0.56 -0.76 -0.20 0.00 0.43 0.00 0.00 52.55 52.57 2dk6 s ASP 11 Cb -0.50 -0.54 0.10 0.00 -0.30 0.00 0.00 42.92 41.68 2dk6 s ASP 11 CO 0.61 -0.67 1.29 -0.62 -0.17 0.00 0.00 175.17 175.61 2dk6 s ASP 12 N -4.14 6.60 0.34 -0.34 -1.08 -1.26 -4.96 116.67 111.84 2dk6 s ASP 12 Ca 0.48 -1.86 0.02 0.00 -0.52 0.00 0.00 52.55 50.67 2dk6 s ASP 12 Cb -0.03 -2.48 -0.01 0.00 -1.46 0.00 0.00 42.92 38.94 2dk6 s ASP 12 CO 0.28 -1.23 0.09 0.23 0.52 0.00 0.00 175.17 175.05 2dk6 n MET 13 N 7.53 0.74 -1.62 4.34 2.81 -1.26 -5.08 117.12 124.58 2dk6 n MET 13 Ca 0.29 -2.76 -0.45 0.00 -1.81 0.00 0.00 57.70 52.97 2dk6 n MET 13 Cb 0.49 1.32 -0.04 0.00 -0.71 0.00 0.00 33.22 34.29 2dk6 n MET 13 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2dk6 n ASP 14 N -1.55 3.42 -4.64 7.83 8.00 -1.26 -4.95 116.55 123.40 2dk6 n ASP 14 Ca -0.07 0.63 -0.36 0.00 0.71 0.00 0.00 54.79 55.70 2dk6 n ASP 14 Cb 0.49 -1.46 -0.10 0.00 -0.02 0.00 0.00 41.12 40.03 2dk6 n ASP 14 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2dk6 s THR 15 N 5.98 5.25 0.63 -3.53 -4.23 -1.26 -5.09 115.64 113.38 2dk6 s THR 15 Ca 0.97 0.14 0.01 0.00 -1.18 0.00 0.00 61.69 61.63 2dk6 s THR 15 Cb -0.53 -3.44 0.08 0.00 1.34 0.00 0.00 72.50 69.95 2dk6 s THR 15 CO 0.44 0.35 0.88 -0.55 -0.54 0.00 0.00 174.62 175.19 2dk6 s SER 16 N 1.04 4.84 -0.90 3.99 0.15 -1.26 -4.91 113.70 116.65 2dk6 s SER 16 Ca 0.07 -0.23 -0.34 0.00 0.70 0.00 0.00 55.95 56.16 2dk6 s SER 16 Cb -0.14 -0.41 -0.21 0.00 -1.71 0.00 0.00 66.02 63.56 2dk6 s SER 16 CO 0.04 -1.48 2.59 -0.67 1.20 0.00 0.00 173.24 174.92 2dk6 n ASP 17 N -2.56 0.39 -4.36 5.45 -0.08 -1.26 -4.87 116.55 109.26 2dk6 n ASP 17 Ca 0.12 0.27 -0.34 0.00 -1.51 0.00 0.00 54.79 53.33 2dk6 n ASP 17 Cb 0.60 -0.92 -0.14 0.00 2.34 0.00 0.00 41.12 43.00 2dk6 n ASP 17 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2dk6 s THR 18 N 8.43 3.31 0.10 5.18 2.01 -1.26 -5.09 115.64 128.31 2dk6 s THR 18 Ca 1.33 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 62.48 2dk6 s THR 18 Cb -1.30 -2.45 -0.06 0.00 0.01 0.00 0.00 72.50 68.70 2dk6 s THR 18 CO 0.52 0.47 1.11 0.00 -0.69 0.00 0.00 174.62 176.03 2dk6 s GLN 19 N 0.90 4.53 -0.24 4.92 -2.07 -1.26 -5.03 119.66 121.42 2dk6 s GLN 19 Ca -0.02 1.67 -0.06 0.00 -1.82 0.00 0.00 55.36 55.13 2dk6 s GLN 19 Cb -0.15 -3.34 -0.02 0.00 -1.09 0.00 0.00 33.01 28.41 2dk6 s GLN 19 CO 0.00 -0.06 0.04 -1.58 -1.32 0.00 0.00 175.29 172.37 2dk6 s TRP 20 N 0.47 3.05 0.44 9.60 0.52 -1.26 -3.34 118.94 128.42 2dk6 s TRP 20 Ca 0.53 -0.56 0.07 0.00 0.02 0.00 0.00 56.10 56.16 2dk6 s TRP 20 Cb -0.28 -2.20 -0.02 0.00 -1.15 0.00 0.00 33.47 29.82 2dk6 s TRP 20 CO 0.31 -0.41 0.34 0.20 0.02 0.00 0.00 176.95 177.41 2dk6 s GLY 21 N 1.58 2.23 0.14 0.98 0.00 0.34 -4.85 107.32 107.73 2dk6 s GLY 21 Ca 0.06 -1.84 0.09 0.00 0.00 0.00 0.00 44.72 43.03 2dk6 s GLY 21 CO 0.02 -1.80 -0.22 -0.98 0.00 0.00 0.00 173.10 170.12 2dk6 s TRP 22 N -2.56 1.98 0.03 1.90 0.52 -1.25 0.13 118.94 119.69 2dk6 s TRP 22 Ca 0.44 -0.42 -0.03 0.00 0.02 0.00 0.00 56.10 56.12 2dk6 s TRP 22 Cb -0.01 -1.04 -0.02 0.00 -1.15 0.00 0.00 33.47 31.25 2dk6 s TRP 22 CO 0.25 0.31 0.02 -0.06 0.02 0.00 0.00 176.95 177.50 2dk6 s PHE 23 N -1.47 0.29 -0.05 -1.98 0.40 0.56 -2.64 117.98 113.10 2dk6 s PHE 23 Ca 0.13 -0.63 -0.01 0.00 -0.60 0.00 0.00 56.93 55.82 2dk6 s PHE 23 Cb -0.08 -0.21 0.03 0.00 0.51 0.00 0.00 43.02 43.26 2dk6 s PHE 23 CO 0.06 -0.31 0.01 1.52 0.70 0.00 0.00 175.22 177.20 2dk6 s TYR 24 N -2.48 0.43 0.74 0.36 -0.85 -0.77 -0.64 117.35 114.15 2dk6 s TYR 24 Ca -0.06 -0.03 -0.16 0.00 -0.52 0.00 0.00 57.07 56.30 2dk6 s TYR 24 Cb -0.02 -0.58 -0.04 0.00 0.38 0.00 0.00 41.96 41.69 2dk6 s TYR 24 CO -0.04 -0.21 0.42 -0.11 -1.52 0.00 0.00 175.55 174.08 2dk6 n LEU 25 N 4.70 0.17 -4.40 -3.49 7.94 0.10 -1.29 117.00 120.73 2dk6 n LEU 25 Ca -0.15 0.55 -0.30 0.00 -1.11 0.00 0.00 56.01 55.00 2dk6 n LEU 25 Cb 0.50 -1.17 -0.13 0.00 0.53 0.00 0.00 43.42 43.14 2dk6 n LEU 25 CO 0.15 -3.39 -0.54 0.00 -1.11 0.00 0.00 177.39 172.50 2dk6 s ALA 26 N -1.96 2.42 0.43 1.96 0.00 -1.07 -4.60 121.76 118.94 2dk6 s ALA 26 Ca 0.63 -1.31 0.21 0.00 0.00 0.00 0.00 51.96 51.49 2dk6 s ALA 26 Cb -0.34 -0.54 1.18 0.00 0.00 0.00 0.00 23.12 23.42 2dk6 s ALA 26 CO 0.60 0.55 1.82 0.93 0.00 0.00 0.00 175.76 179.67 2dk6 h GLU 27 N 4.37 0.31 0.00 0.00 4.39 -1.90 0.71 114.58 122.45 2dk6 h GLU 27 Ca -0.48 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.15 2dk6 h GLU 27 Cb 1.16 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2dk6 h GLU 27 CO 0.44 0.21 -0.23 0.00 -1.16 0.00 0.00 179.01 178.26 2dk6 n GLY 29 N -0.41 3.53 3.73 0.00 0.00 0.25 -5.09 105.19 107.19 2dk6 n GLY 29 Ca -0.01 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 2dk6 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk6 s LYS 30 N 0.00 4.64 0.47 1.61 -0.14 -1.26 -4.45 119.74 120.62 2dk6 s LYS 30 Ca 0.00 1.51 -0.21 0.00 -1.36 0.00 0.00 55.97 55.91 2dk6 s LYS 30 Cb 0.00 -3.37 -0.08 0.00 -1.68 0.00 0.00 37.83 32.69 2dk6 s LYS 30 CO 0.00 0.12 1.05 -1.58 -0.76 0.00 0.00 175.35 174.18 2dk6 s TRP 31 N 0.20 3.02 -0.08 3.18 0.52 -1.26 -2.61 118.94 121.90 2dk6 s TRP 31 Ca 0.49 1.59 0.02 0.00 0.02 0.00 0.00 56.10 58.21 2dk6 s TRP 31 Cb -0.24 -3.11 0.02 0.00 -1.15 0.00 0.00 33.47 28.98 2dk6 s TRP 31 CO 0.30 -0.88 -0.12 -1.01 0.02 0.00 0.00 176.95 175.26 2dk6 s HIS 32 N -1.88 1.56 0.44 -1.98 3.76 -0.41 -4.88 115.29 111.89 2dk6 s HIS 32 Ca 0.66 -0.64 -0.25 0.00 -0.15 0.00 0.00 55.06 54.67 2dk6 s HIS 32 Cb -0.19 -1.16 -0.08 0.00 1.11 0.00 0.00 32.58 32.26 2dk6 s HIS 32 CO 0.23 -0.36 1.38 1.41 -0.85 0.00 0.00 174.74 176.55 2dk6 s MET 33 N 0.92 3.76 1.07 1.40 1.75 -1.26 -1.84 119.30 125.10 2dk6 s MET 33 Ca -0.10 2.33 -0.14 0.00 -1.25 0.00 0.00 55.69 56.53 2dk6 s MET 33 Cb -0.15 -2.67 0.15 0.00 2.84 0.00 0.00 34.83 35.00 2dk6 s MET 33 CO 0.01 -0.73 0.56 1.19 -0.65 0.00 0.00 175.02 175.40 2dk6 n PHE 34 N -0.12 -1.05 -3.62 4.11 3.01 -1.08 -4.89 117.46 113.82 2dk6 n PHE 34 Ca 0.05 0.11 -0.07 0.00 1.01 0.00 0.00 57.45 58.54 2dk6 n PHE 34 Cb 0.42 -1.72 -0.06 0.00 -0.01 0.00 0.00 39.48 38.12 2dk6 n PHE 34 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 2dk6 s GLN 35 N -3.95 0.39 0.36 -1.08 -2.07 -1.26 -4.66 119.66 107.39 2dk6 s GLN 35 Ca 0.62 0.24 -0.27 0.00 -1.82 0.00 0.00 55.36 54.12 2dk6 s GLN 35 Cb -0.20 0.18 -0.09 0.00 -1.09 0.00 0.00 33.01 31.82 2dk6 s GLN 35 CO 0.65 -0.09 1.21 -1.25 -1.32 0.00 0.00 175.29 174.49 2dk6 s PRO 36 N -0.53 4.24 0.55 9.60 0.04 -1.26 -4.76 135.00 142.88 2dk6 s PRO 36 Ca 0.03 1.97 -0.06 0.00 0.04 0.00 0.00 61.00 62.98 2dk6 s PRO 36 Cb -0.03 -2.89 0.12 0.00 0.04 0.00 0.00 34.50 31.74 2dk6 s PRO 36 CO -0.05 -0.20 0.75 -3.47 0.04 0.00 0.00 177.00 174.07 2dk6 n ASP 37 N 0.50 0.40 -3.44 6.66 2.03 -1.26 -4.85 116.55 116.59 2dk6 n ASP 37 Ca 0.02 -1.48 -0.31 0.00 0.52 0.00 0.00 54.79 53.54 2dk6 n ASP 37 Cb 0.44 -0.54 0.02 0.00 -0.72 0.00 0.00 41.12 40.32 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 -2.80 0.00 -0.25 5.18 -1.04 -1.26 -4.50 114.28 109.61 2dk6 n THR 38 Ca 0.10 -0.42 0.05 0.00 -2.04 0.00 0.00 64.05 61.75 2dk6 n THR 38 Cb 0.37 0.00 0.19 0.00 -1.82 0.00 0.00 70.33 69.07 2dk6 n THR 38 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2dk6 h ASN 39 N -0.38 0.21 -1.47 8.00 4.21 -1.98 -2.82 115.58 121.35 2dk6 h ASN 39 Ca -0.35 0.12 -0.63 0.00 1.21 0.00 0.00 56.30 56.65 2dk6 h ASN 39 Cb 1.15 0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 38.45 2dk6 h ASN 39 CO 0.28 0.06 1.46 -1.54 -1.29 0.00 0.00 177.43 176.40 2dk6 n SER 40 N -5.04 2.60 -3.89 5.81 3.41 -1.26 -2.60 113.62 112.65 2dk6 n SER 40 Ca 0.14 0.30 -0.25 0.00 -0.26 0.00 0.00 58.87 58.80 2dk6 n SER 40 Cb 0.43 -1.39 -0.06 0.00 -0.26 0.00 0.00 64.21 62.93 2dk6 n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dk6 n GLN 41 N 8.46 -0.88 -0.87 4.33 10.64 -1.26 -4.67 117.38 133.13 2dk6 n GLN 41 Ca 0.37 0.05 -0.36 0.00 -1.83 0.00 0.00 57.00 55.22 2dk6 n GLN 41 Cb 0.33 -2.55 0.09 0.00 -0.86 0.00 0.00 30.24 27.25 2dk6 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2dk6 n SER 43 N 1.31 0.43 -4.69 0.00 3.41 -1.26 -4.82 113.62 108.00 2dk6 n SER 43 Ca -0.00 -1.52 -0.42 0.00 -0.26 0.00 0.00 58.87 56.67 2dk6 n SER 43 Cb 0.68 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 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 -2.56 4.81 0.73 -3.33 -7.23 -1.26 -4.47 120.40 107.08 2dk6 s VAL 44 Ca 0.48 1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 62.51 2dk6 s VAL 44 Cb -0.02 -4.28 0.04 0.00 0.56 0.00 0.00 36.38 32.68 2dk6 s VAL 44 CO 0.33 0.02 1.10 -0.44 -0.31 0.00 0.00 175.10 175.80 2dk6 s SER 45 N 1.09 5.09 0.45 4.85 0.01 -1.26 -4.66 113.70 119.27 2dk6 s SER 45 Ca 0.47 0.91 0.30 0.00 1.31 0.00 0.00 55.95 58.94 2dk6 s SER 45 Cb -0.18 -1.61 1.41 0.00 0.21 0.00 0.00 66.02 65.84 2dk6 s SER 45 CO 0.17 -1.52 1.65 0.77 0.41 0.00 0.00 173.24 174.73 2dk6 h SER 46 N -0.73 0.24 0.47 2.44 4.64 -1.91 -0.34 113.55 118.35 2dk6 h SER 46 Ca -0.45 0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 60.95 2dk6 h SER 46 Cb 1.28 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2dk6 h SER 46 CO 0.64 -0.11 -0.22 -0.08 -0.87 0.00 0.00 176.83 176.18 2dk6 h GLU 47 N 0.12 -0.60 -0.95 4.77 4.81 -1.91 -1.65 114.58 119.17 2dk6 h GLU 47 Ca 0.78 0.04 0.29 0.00 -0.13 0.00 0.00 59.36 60.34 2dk6 h GLU 47 Cb 2.48 0.14 -0.15 0.00 0.63 0.00 0.00 28.75 31.84 2dk6 h GLU 47 CO -0.34 -0.40 0.41 -0.44 -0.73 0.00 0.00 179.01 177.50 2dk6 h ASP 48 N -0.98 0.25 0.45 1.04 5.19 -1.45 -1.10 116.42 119.83 2dk6 h ASP 48 Ca -0.06 0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.53 2dk6 h ASP 48 Cb 0.48 0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.21 2dk6 h ASP 48 CO 0.11 -0.17 -0.21 0.40 -3.12 0.00 0.00 179.24 176.24 2dk6 h ILE 49 N 0.25 0.00 -1.00 0.35 2.04 -1.31 -2.35 117.51 115.49 2dk6 h ILE 49 Ca 0.66 -0.19 0.36 0.00 1.00 0.00 0.00 64.86 66.69 2dk6 h ILE 49 Cb 1.45 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.36 2dk6 h ILE 49 CO -0.65 0.00 0.36 -0.08 0.00 0.00 0.00 178.15 177.78 2dk6 h GLU 50 N -0.79 0.02 0.17 2.37 4.22 -0.46 0.45 114.58 120.56 2dk6 h GLU 50 Ca -0.06 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 2dk6 h GLU 50 Cb 0.46 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2dk6 h GLU 50 CO 0.10 0.01 -0.08 0.87 -2.18 0.00 0.00 179.01 177.73 2dk6 h LYS 51 N 0.02 -0.22 -0.90 1.92 1.57 -1.20 -2.32 116.57 115.44 2dk6 h LYS 51 Ca 0.76 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.67 2dk6 h LYS 51 Cb 1.87 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 34.16 2dk6 h LYS 51 CO -0.82 -0.00 0.58 1.03 -0.57 0.00 0.00 179.45 179.67 2dk6 h SER 52 N -0.40 0.76 -0.75 0.86 0.87 0.38 -0.91 113.55 114.37 2dk6 h SER 52 Ca -0.02 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 2dk6 h SER 52 Cb 0.31 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 2dk6 h SER 52 CO 0.04 0.42 0.24 0.15 -0.53 0.00 0.00 176.83 177.15 2dk6 h PHE 53 N 0.83 1.20 0.14 2.24 3.57 -0.88 0.10 116.94 124.13 2dk6 h PHE 53 Ca 0.44 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.82 2dk6 h PHE 53 Cb 0.53 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2dk6 h PHE 53 CO -0.00 0.94 -0.31 0.87 -2.23 0.00 0.00 178.31 177.58 2dk6 h LYS 54 N 1.11 -0.47 -0.22 1.11 1.57 -0.60 0.15 116.57 119.22 2dk6 h LYS 54 Ca 0.24 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 2dk6 h LYS 54 Cb 0.30 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2dk6 h LYS 54 CO -0.01 -0.31 0.09 0.00 -0.57 0.00 0.00 179.45 178.65 2dk6 h THR 55 N -0.49 1.16 -3.27 -0.16 1.03 -1.55 -3.35 112.91 106.28 2dk6 h THR 55 Ca -0.01 -0.46 -0.65 0.00 -0.01 0.00 0.00 66.41 65.28 2dk6 h THR 55 Cb 0.47 1.06 -0.40 0.00 -1.07 0.00 0.00 68.15 68.21 2dk6 h THR 55 CO -0.13 0.15 -0.50 0.20 -0.01 0.00 0.00 175.52 175.23 2dk6 s ASN 56 N -5.60 4.88 0.00 0.00 -0.87 0.02 -4.91 114.94 108.45 2dk6 s ASN 56 Ca -0.13 -3.46 0.14 0.00 -1.57 0.00 0.00 52.86 47.84 2dk6 s ASN 56 Cb 0.08 -1.70 0.64 0.00 -0.02 0.00 0.00 41.25 40.24 2dk6 s ASN 56 CO 0.71 -0.18 1.44 -0.81 -2.57 0.00 0.00 177.10 175.70 2dk6 n PRO 57 N 2.55 0.05 0.00 -0.60 -0.04 0.50 -2.97 135.00 134.48 2dk6 n PRO 57 Ca 0.14 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 2dk6 n PRO 57 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2dk6 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dk6 s GLY 59 N -1.97 1.58 0.14 0.00 0.00 -1.16 -2.90 107.32 103.01 2dk6 s GLY 59 Ca 0.00 -0.73 0.08 0.00 0.00 0.00 0.00 44.72 44.07 2dk6 s GLY 59 CO 0.00 0.03 -0.19 -0.56 0.00 0.00 0.00 173.10 172.38 2dk6 s SER 60 N -3.80 2.55 -0.40 1.64 0.01 -1.26 -2.63 113.70 109.81 2dk6 s SER 60 Ca 0.69 -0.79 -0.09 0.00 1.31 0.00 0.00 55.95 57.07 2dk6 s SER 60 Cb -0.13 -0.14 0.06 0.00 0.21 0.00 0.00 66.02 66.02 2dk6 s SER 60 CO 0.56 -0.01 0.23 -0.51 0.41 0.00 0.00 173.24 173.92 2dk6 s ILE 61 N -1.72 4.23 -0.32 1.44 2.07 -0.98 -4.97 121.20 120.95 2dk6 s ILE 61 Ca 0.11 -1.26 -0.20 0.00 -1.41 0.00 0.00 60.65 57.89 2dk6 s ILE 61 Cb -0.07 -3.52 -0.01 0.00 0.13 0.00 0.00 42.46 38.99 2dk6 s ILE 61 CO 0.05 -0.41 0.64 -0.94 -1.91 0.00 0.00 174.94 172.37 2dk6 s SER 62 N 1.90 6.48 0.30 4.50 1.04 -1.26 -3.39 113.70 123.28 2dk6 s SER 62 Ca 0.02 0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.85 2dk6 s SER 62 Cb -0.22 -2.33 -0.05 0.00 0.10 0.00 0.00 66.02 63.53 2dk6 s SER 62 CO 0.03 -0.51 0.12 0.72 0.98 0.00 0.00 173.24 174.58 2dk6 s PHE 63 N 2.65 1.65 -0.08 5.02 -0.12 -1.15 -5.08 117.98 120.87 2dk6 s PHE 63 Ca 0.25 -1.22 -0.06 0.00 -0.05 0.00 0.00 56.93 55.84 2dk6 s PHE 63 Cb -0.15 -0.98 0.02 0.00 -0.63 0.00 0.00 43.02 41.29 2dk6 s PHE 63 CO 0.13 -0.34 0.20 0.95 -0.05 0.00 0.00 175.22 176.11 2dk6 s THR 64 N -3.57 -0.01 -0.29 -4.49 -4.23 -1.26 -2.95 115.64 98.83 2dk6 s THR 64 Ca 0.35 0.03 -0.19 0.00 -1.18 0.00 0.00 61.69 60.71 2dk6 s THR 64 Cb 0.06 -0.30 0.18 0.00 1.34 0.00 0.00 72.50 73.79 2dk6 s THR 64 CO 0.15 0.01 1.21 0.28 -0.54 0.00 0.00 174.62 175.74 2dk6 s THR 65 N 0.35 0.00 -0.28 3.99 -1.32 -1.19 -4.87 115.64 112.32 2dk6 s THR 65 Ca -0.02 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.45 2dk6 s THR 65 Cb -0.03 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.95 2dk6 s THR 65 CO -0.01 0.00 0.24 -0.24 -2.21 0.00 0.00 174.62 172.40 2dk6 n SER 66 N 2.80 -2.59 -2.82 8.08 2.88 -1.26 -3.54 113.62 117.16 2dk6 n SER 66 Ca -0.15 -0.17 -0.15 0.00 -1.33 0.00 0.00 58.87 57.07 2dk6 n SER 66 Cb 0.57 -1.67 -0.03 0.00 -0.75 0.00 0.00 64.21 62.33 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 -1.86 -1.65 -3.63 -1.46 2.85 -1.26 -4.82 118.16 106.33 2dk6 n LYS 67 Ca -0.04 0.05 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 2dk6 n LYS 67 Cb 0.54 -3.37 -0.10 0.00 -0.65 0.00 0.00 35.03 31.45 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 -2.04 -0.73 0.57 5.58 0.08 -1.23 -5.06 117.98 115.14 2dk6 s PHE 68 Ca 0.30 1.36 -0.13 0.00 0.12 0.00 0.00 56.93 58.58 2dk6 s PHE 68 Cb -0.17 0.22 -0.06 0.00 -0.57 0.00 0.00 43.02 42.44 2dk6 s PHE 68 CO 0.37 -0.48 1.00 -1.12 -0.10 0.00 0.00 175.22 174.89 2dk6 s SER 69 N 2.57 6.40 -0.19 1.36 0.01 -1.26 -3.17 113.70 119.42 2dk6 s SER 69 Ca 0.00 1.46 -0.15 0.00 1.31 0.00 0.00 55.95 58.57 2dk6 s SER 69 Cb -0.12 -2.48 0.05 0.00 0.21 0.00 0.00 66.02 63.68 2dk6 s SER 69 CO -0.12 -0.73 0.49 -0.31 0.41 0.00 0.00 173.24 172.98 2dk6 s TYR 70 N -2.91 -0.61 -0.09 2.43 2.02 -1.15 -3.30 117.35 113.73 2dk6 s TYR 70 Ca 0.56 1.39 0.02 0.00 -0.37 0.00 0.00 57.07 58.67 2dk6 s TYR 70 Cb -0.10 0.25 0.02 0.00 -0.40 0.00 0.00 41.96 41.72 2dk6 s TYR 70 CO 0.44 -0.31 -0.13 0.21 -1.57 0.00 0.00 175.55 174.19 2dk6 s LYS 71 N 0.66 1.97 -0.31 -0.62 2.20 0.40 -2.92 119.74 121.12 2dk6 s LYS 71 Ca -0.03 -0.48 -0.04 0.00 -0.36 0.00 0.00 55.97 55.06 2dk6 s LYS 71 Cb -0.05 -1.69 0.04 0.00 -1.51 0.00 0.00 37.83 34.62 2dk6 s LYS 71 CO -0.04 -0.05 0.03 0.42 -0.36 0.00 0.00 175.35 175.35 2dk6 s ILE 72 N 0.95 3.33 -0.04 5.43 1.01 -1.22 0.21 121.20 130.87 2dk6 s ILE 72 Ca -0.08 -1.19 -0.18 0.00 0.00 0.00 0.00 60.65 59.19 2dk6 s ILE 72 Cb -0.15 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 2dk6 s ILE 72 CO -0.00 -0.07 0.51 -1.81 0.00 0.00 0.00 174.94 173.57 2dk6 s ASP 73 N 1.33 6.84 -0.18 3.58 1.01 -0.51 -2.33 116.67 126.42 2dk6 s ASP 73 Ca -0.03 1.00 -0.18 0.00 0.71 0.00 0.00 52.55 54.06 2dk6 s ASP 73 Cb -0.19 -2.31 -0.21 0.00 1.01 0.00 0.00 42.92 41.21 2dk6 s ASP 73 CO 0.00 0.12 0.28 -0.26 0.21 0.00 0.00 175.17 175.52 2dk6 h PHE 74 N 5.78 0.15 -0.09 4.23 0.04 -1.67 -2.44 116.94 122.93 2dk6 h PHE 74 Ca -0.45 -0.11 0.04 0.00 2.80 0.00 0.00 57.97 60.25 2dk6 h PHE 74 Cb 1.20 -0.01 -0.06 0.00 2.20 0.00 0.00 35.95 39.28 2dk6 h PHE 74 CO 0.66 1.57 -0.41 0.00 -0.60 0.00 0.00 178.31 179.52 2dk6 h ALA 75 N -0.32 -0.60 0.00 2.45 0.00 -1.53 0.28 119.26 119.54 2dk6 h ALA 75 Ca -0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2dk6 h ALA 75 Cb 1.52 0.76 0.00 0.00 0.00 0.00 0.00 17.79 20.06 2dk6 h ALA 75 CO -0.12 -0.92 0.00 0.39 0.00 0.00 0.00 179.25 178.60 2dk6 n GLU 76 N -5.44 0.33 -3.87 0.00 1.02 -1.26 -4.87 120.64 106.55 2dk6 n GLU 76 Ca -0.05 0.09 -0.25 0.00 -0.02 0.00 0.00 57.16 56.94 2dk6 n GLU 76 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 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 -1.22 -4.06 -3.62 3.49 2.81 0.99 -4.96 117.12 110.55 2dk6 n MET 77 Ca 0.10 0.50 -0.11 0.00 -1.81 0.00 0.00 57.70 56.38 2dk6 n MET 77 Cb 0.12 -4.88 -0.04 0.00 -0.71 0.00 0.00 33.22 27.72 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 -6.37 1.23 -0.27 0.03 -2.85 -0.92 -2.77 119.74 107.82 2dk6 s LYS 78 Ca 0.10 -0.70 -0.11 0.00 -1.00 0.00 0.00 55.97 54.26 2dk6 s LYS 78 Cb -0.05 0.52 -0.05 0.00 -2.06 0.00 0.00 37.83 36.19 2dk6 s LYS 78 CO 0.86 -0.51 0.18 -1.14 0.10 0.00 0.00 175.35 174.84 2dk6 s GLN 79 N -3.81 3.99 -0.32 1.78 0.74 0.60 -1.42 119.66 121.21 2dk6 s GLN 79 Ca 0.05 -0.30 -0.17 0.00 0.05 0.00 0.00 55.36 54.98 2dk6 s GLN 79 Cb 0.00 -3.62 -0.01 0.00 1.10 0.00 0.00 33.01 30.48 2dk6 s GLN 79 CO -0.09 -0.10 0.47 1.41 -0.55 0.00 0.00 175.29 176.43 2dk6 s MET 80 N 1.54 3.74 0.20 1.67 -2.45 0.55 -3.36 119.30 121.19 2dk6 s MET 80 Ca 0.07 -0.09 -0.17 0.00 -1.25 0.00 0.00 55.69 54.25 2dk6 s MET 80 Cb -0.15 -3.76 -0.08 0.00 1.25 0.00 0.00 34.83 32.09 2dk6 s MET 80 CO 0.09 -0.53 0.65 -0.80 1.05 0.00 0.00 175.02 175.48 2dk6 s ASN 81 N 1.71 6.93 -0.06 1.11 -0.87 -1.07 -0.45 114.94 122.24 2dk6 s ASN 81 Ca 0.18 1.26 0.01 0.00 -1.57 0.00 0.00 52.86 52.74 2dk6 s ASN 81 Cb -0.16 -2.36 -0.05 0.00 -0.02 0.00 0.00 41.25 38.67 2dk6 s ASN 81 CO 0.12 0.04 -0.04 0.18 -2.57 0.00 0.00 177.10 174.83 2dk6 n LEU 82 N 0.65 2.31 0.03 0.60 7.99 -1.25 -3.52 117.00 123.82 2dk6 n LEU 82 Ca -0.03 -0.03 -0.12 0.00 -0.01 0.00 0.00 56.01 55.82 2dk6 n LEU 82 Cb 0.52 -0.14 -0.07 0.00 -0.11 0.00 0.00 43.42 43.61 2dk6 n LEU 82 CO 0.43 0.49 0.84 0.00 -1.51 0.00 0.00 177.39 177.64 2dk6 h THR 83 N 0.00 1.04 0.00 -5.08 1.03 -1.92 -3.34 112.91 104.65 2dk6 h THR 83 Ca -0.14 -0.13 -0.12 0.00 -0.01 0.00 0.00 66.41 66.01 2dk6 h THR 83 Cb 1.23 1.13 -0.02 0.00 -1.07 0.00 0.00 68.15 69.42 2dk6 h THR 83 CO -0.01 0.03 -1.70 0.35 -0.01 0.00 0.00 175.52 174.18 2dk6 n THR 84 N -5.06 0.46 -0.97 0.00 -2.24 -1.26 -5.02 114.28 100.20 2dk6 n THR 84 Ca -0.07 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2dk6 n THR 84 Cb 0.05 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 2dk6 n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dk6 n GLY 85 N 2.08 0.56 3.83 3.38 0.00 -1.23 -5.06 105.19 108.76 2dk6 n GLY 85 Ca -0.12 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.99 0.80 -0.00 1.61 -0.14 -1.26 -4.78 119.74 113.99 2dk6 s LYS 86 Ca 0.00 -0.04 0.02 0.00 -1.36 0.00 0.00 55.97 54.59 2dk6 s LYS 86 Cb 0.00 -1.83 -0.01 0.00 -1.68 0.00 0.00 37.83 34.32 2dk6 s LYS 86 CO 0.00 -2.36 -0.05 1.14 -0.76 0.00 0.00 175.35 173.31 2dk6 s GLN 87 N -5.57 0.43 -0.20 1.68 -2.07 -1.26 -2.60 119.66 110.07 2dk6 s GLN 87 Ca 0.68 -0.22 -0.14 0.00 -1.82 0.00 0.00 55.36 53.86 2dk6 s GLN 87 Cb -0.10 -0.40 0.06 0.00 -1.09 0.00 0.00 33.01 31.48 2dk6 s GLN 87 CO 0.53 0.11 0.51 1.03 -1.32 0.00 0.00 175.29 176.14 2dk6 s ARG 88 N -0.20 0.53 0.91 9.60 0.52 -1.21 -4.90 118.95 124.19 2dk6 s ARG 88 Ca 0.01 0.85 -0.12 0.00 -0.52 0.00 0.00 55.73 55.95 2dk6 s ARG 88 Cb -0.02 0.13 0.13 0.00 0.52 0.00 0.00 34.95 35.71 2dk6 s ARG 88 CO -0.00 -0.12 1.09 -0.51 0.02 0.00 0.00 175.30 175.78 2dk6 s LEU 89 N 1.01 2.16 0.17 2.53 1.02 -1.26 -0.29 118.68 124.01 2dk6 s LEU 89 Ca -0.06 1.40 0.00 0.00 0.02 0.00 0.00 54.13 55.49 2dk6 s LEU 89 Cb -0.06 -3.79 -0.04 0.00 0.02 0.00 0.00 46.19 42.32 2dk6 s LEU 89 CO -0.09 -2.67 0.05 0.27 0.02 0.00 0.00 176.35 173.93 2dk6 s ILE 90 N -2.97 0.32 -0.08 -0.59 -4.36 -1.12 0.01 121.20 112.42 2dk6 s ILE 90 Ca 0.64 -1.95 -0.29 0.00 -0.26 0.00 0.00 60.65 58.78 2dk6 s ILE 90 Cb -0.18 -2.18 0.07 0.00 1.25 0.00 0.00 42.46 41.42 2dk6 s ILE 90 CO 0.57 -0.37 0.66 -1.59 0.24 0.00 0.00 174.94 174.46 2dk6 s LYS 91 N -4.02 1.00 -0.28 0.37 -2.85 0.19 -4.84 119.74 109.31 2dk6 s LYS 91 Ca 0.27 0.34 -0.05 0.00 -1.00 0.00 0.00 55.97 55.54 2dk6 s LYS 91 Cb 0.07 0.47 0.02 0.00 -2.06 0.00 0.00 37.83 36.33 2dk6 s LYS 91 CO 0.05 -0.29 0.03 0.50 0.10 0.00 0.00 175.35 175.74 2dk6 s ARG 92 N -0.96 2.99 0.03 1.78 3.52 -1.26 -0.32 118.95 124.73 2dk6 s ARG 92 Ca -0.09 -0.91 -0.09 0.00 -0.13 0.00 0.00 55.73 54.51 2dk6 s ARG 92 Cb -0.01 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 2dk6 s ARG 92 CO 0.08 -0.43 0.19 0.00 -0.81 0.00 0.00 175.30 174.33 2dk6 s ALA 93 N 1.43 -0.35 0.43 6.12 0.00 0.12 -4.95 121.76 124.56 2dk6 s ALA 93 Ca 0.02 -0.27 -0.24 0.00 0.00 0.00 0.00 51.96 51.47 2dk6 s ALA 93 Cb -0.17 0.26 -0.08 0.00 0.00 0.00 0.00 23.12 23.13 2dk6 s ALA 93 CO 0.00 -0.34 1.18 -1.25 0.00 0.00 0.00 175.76 175.35 2dk6 s PRO 94 N -2.43 3.91 0.28 0.00 0.04 -1.26 0.12 135.00 135.67 2dk6 s PRO 94 Ca -0.06 1.84 -0.03 0.00 0.04 0.00 0.00 61.00 62.79 2dk6 s PRO 94 Cb -0.02 -2.56 0.59 0.00 0.04 0.00 0.00 34.50 32.56 2dk6 s PRO 94 CO -0.03 -0.44 1.60 0.74 0.04 0.00 0.00 177.00 178.91 2dk6 h PHE 95 N 2.37 -0.07 -3.17 0.56 -1.00 -1.88 -3.39 116.94 110.37 2dk6 h PHE 95 Ca -0.49 0.07 -0.53 0.00 2.81 0.00 0.00 57.97 59.83 2dk6 h PHE 95 Cb 1.24 0.17 0.02 0.00 3.61 0.00 0.00 35.95 41.00 2dk6 h PHE 95 CO 0.54 -0.34 0.67 0.45 -1.61 0.00 0.00 178.31 178.02 2dk6 s SER 96 N -5.11 6.89 0.19 2.17 0.15 -1.26 -4.93 113.70 111.79 2dk6 s SER 96 Ca -0.13 2.31 -0.12 0.00 0.70 0.00 0.00 55.95 58.70 2dk6 s SER 96 Cb 0.26 -2.59 0.10 0.00 -1.71 0.00 0.00 66.02 62.08 2dk6 s SER 96 CO 0.77 -0.58 1.83 0.28 1.20 0.00 0.00 173.24 176.75 2dk6 h SER 97 N 6.28 0.75 -0.20 5.45 0.02 -1.81 -3.46 113.55 120.57 2dk6 h SER 97 Ca -0.43 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2dk6 h SER 97 Cb 1.21 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2dk6 h SER 97 CO 0.82 0.57 0.00 0.61 -1.14 0.00 0.00 176.83 177.70 2dk6 n GLY 98 N -1.19 5.77 0.09 -3.77 0.00 -1.26 -5.01 105.19 99.81 2dk6 n GLY 98 Ca 0.05 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.62 2dk6 n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dk6 n PRO 99 N 0.00 0.13 -4.10 1.61 -0.04 -1.26 -4.80 135.00 126.54 2dk6 n PRO 99 Ca 0.00 0.37 -0.11 0.00 -0.04 0.00 0.00 63.50 63.72 2dk6 n PRO 99 Cb 0.00 -1.75 -0.08 0.00 -0.04 0.00 0.00 33.50 31.63 2dk6 n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dk6 s SER 100 N -3.83 0.05 -0.22 3.54 0.15 -1.26 -5.09 113.70 107.03 2dk6 s SER 100 Ca 0.05 -1.16 -0.16 0.00 0.70 0.00 0.00 55.95 55.38 2dk6 s SER 100 Cb 0.09 0.47 -0.12 0.00 -1.71 0.00 0.00 66.02 64.75 2dk6 s SER 100 CO 0.35 -0.96 -0.18 -0.24 1.20 0.00 0.00 173.24 173.40 2dk6 n SER 101 N -0.31 1.91 0.00 5.45 2.88 -1.26 -4.61 113.62 117.69 2dk6 n SER 101 Ca -0.00 0.40 0.13 0.00 -1.33 0.00 0.00 58.87 58.07 2dk6 n SER 101 Cb 0.64 -0.85 0.78 0.00 -0.75 0.00 0.00 64.21 64.03 2dk6 n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42