#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk6 n SER 2 N 0.00 0.93 -4.67 1.61 7.64 -1.26 -5.03 113.62 112.84 2dk6 n SER 2 Ca 0.00 0.16 -0.47 0.00 1.01 0.00 0.00 58.87 59.57 2dk6 n SER 2 Cb 0.00 -0.25 -0.04 0.00 -1.01 0.00 0.00 64.21 62.90 2dk6 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dk6 n SER 3 N -3.46 3.25 -4.70 6.43 2.88 -1.26 -4.92 113.62 111.84 2dk6 n SER 3 Ca 0.00 1.04 -0.34 0.00 -1.33 0.00 0.00 58.87 58.24 2dk6 n SER 3 Cb 0.03 -1.41 0.12 0.00 -0.75 0.00 0.00 64.21 62.20 2dk6 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk6 n GLY 4 N 3.80 0.11 3.41 0.46 0.00 -1.26 -4.93 105.19 106.78 2dk6 n GLY 4 Ca 0.19 -0.41 -0.45 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.96 6.62 -0.35 1.61 0.15 -1.26 -4.96 113.70 113.55 2dk6 s SER 5 Ca 0.75 -2.15 0.01 0.00 0.70 0.00 0.00 55.95 55.26 2dk6 s SER 5 Cb -0.31 -2.34 0.11 0.00 -1.71 0.00 0.00 66.02 61.77 2dk6 s SER 5 CO 0.48 -0.94 0.12 -0.94 1.20 0.00 0.00 173.24 173.16 2dk6 s SER 6 N 3.20 4.16 0.65 5.45 1.04 -1.26 -5.09 113.70 121.85 2dk6 s SER 6 Ca 0.26 -1.99 0.00 0.00 0.48 0.00 0.00 55.95 54.70 2dk6 s SER 6 Cb -0.08 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 64.92 2dk6 s SER 6 CO -0.07 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2dk6 n GLY 7 N 4.41 -0.50 3.81 7.32 0.00 -1.26 -4.73 105.19 114.23 2dk6 n GLY 7 Ca 0.02 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 2dk6 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk6 s ASN 8 N -4.00 5.91 -0.29 1.61 2.20 -1.26 -4.99 114.94 114.12 2dk6 s ASN 8 Ca 0.00 1.75 0.09 0.00 -0.94 0.00 0.00 52.86 53.76 2dk6 s ASN 8 Cb 0.00 -2.52 0.47 0.00 -2.00 0.00 0.00 41.25 37.19 2dk6 s ASN 8 CO 0.00 -1.08 1.18 -1.84 -2.94 0.00 0.00 177.10 172.42 2dk6 n GLU 9 N -2.05 3.38 -4.01 3.55 -0.00 -1.26 -5.00 120.64 115.24 2dk6 n GLU 9 Ca 0.08 -4.09 -0.23 0.00 -0.00 0.00 0.00 57.16 52.93 2dk6 n GLU 9 Cb 0.53 -2.19 -0.17 0.00 -0.00 0.00 0.00 31.44 29.61 2dk6 n GLU 9 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2dk6 s VAL 10 N -4.50 0.61 -0.02 3.84 1.01 -1.26 -5.13 120.40 114.95 2dk6 s VAL 10 Ca 0.48 -0.09 -0.20 0.00 0.00 0.00 0.00 61.98 62.17 2dk6 s VAL 10 Cb 0.40 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 2dk6 s VAL 10 CO 0.03 0.27 0.58 1.51 0.00 0.00 0.00 175.10 177.49 2dk6 s ASP 11 N 1.41 6.93 -0.69 3.32 1.47 -1.26 -5.03 116.67 122.83 2dk6 s ASP 11 Ca -0.03 1.11 0.05 0.00 1.18 0.00 0.00 52.55 54.87 2dk6 s ASP 11 Cb -0.13 -2.35 0.18 0.00 -0.34 0.00 0.00 42.92 40.28 2dk6 s ASP 11 CO -0.03 0.09 0.53 0.47 0.68 0.00 0.00 175.17 176.91 2dk6 n ASP 12 N 2.85 3.03 -0.12 2.11 9.92 -1.26 -4.85 116.55 128.22 2dk6 n ASP 12 Ca -0.07 -3.22 -0.21 0.00 -0.53 0.00 0.00 54.79 50.75 2dk6 n ASP 12 Cb 0.51 -0.74 -0.10 0.00 -0.64 0.00 0.00 41.12 40.15 2dk6 n ASP 12 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 2dk6 n MET 13 N 1.81 0.57 -3.85 -1.24 2.81 -1.26 -5.09 117.12 110.88 2dk6 n MET 13 Ca 0.22 0.18 0.01 0.00 -1.81 0.00 0.00 57.70 56.30 2dk6 n MET 13 Cb 0.36 -1.45 0.01 0.00 -0.71 0.00 0.00 33.22 31.43 2dk6 n MET 13 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2dk6 s ASP 14 N -6.74 -0.02 -1.61 7.83 1.01 -1.26 -4.98 116.67 110.89 2dk6 s ASP 14 Ca -0.34 -0.29 -0.17 0.00 0.71 0.00 0.00 52.55 52.46 2dk6 s ASP 14 Cb 0.11 0.24 0.17 0.00 1.01 0.00 0.00 42.92 44.45 2dk6 s ASP 14 CO 0.51 -0.48 0.43 0.35 0.21 0.00 0.00 175.17 176.19 2dk6 n THR 15 N -0.72 -0.16 -3.44 -1.27 -2.24 -1.26 -4.83 114.28 100.36 2dk6 n THR 15 Ca -0.02 -0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.28 2dk6 n THR 15 Cb 0.60 -0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 2dk6 n THR 15 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2dk6 n SER 16 N -2.15 4.98 -4.45 3.42 2.88 -1.26 -5.01 113.62 112.03 2dk6 n SER 16 Ca 0.03 -3.13 -0.45 0.00 -1.33 0.00 0.00 58.87 53.99 2dk6 n SER 16 Cb 0.44 -1.21 -0.12 0.00 -0.75 0.00 0.00 64.21 62.57 2dk6 n SER 16 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2dk6 n ASP 17 N 2.33 0.77 -3.76 -3.46 -0.08 -1.26 -4.87 116.55 106.22 2dk6 n ASP 17 Ca 0.23 0.23 -0.13 0.00 -1.51 0.00 0.00 54.79 53.61 2dk6 n ASP 17 Cb 0.38 -1.02 -0.11 0.00 2.34 0.00 0.00 41.12 42.71 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 8.59 0.00 -0.01 5.18 2.01 -1.26 -5.05 115.64 125.11 2dk6 s THR 18 Ca 1.26 -0.03 -0.20 0.00 0.31 0.00 0.00 61.69 63.03 2dk6 s THR 18 Cb -1.16 -0.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 2dk6 s THR 18 CO 0.50 -0.02 0.58 -1.10 -0.69 0.00 0.00 174.62 173.89 2dk6 s GLN 19 N 0.07 4.29 -0.20 4.92 -1.52 -1.26 -5.06 119.66 120.89 2dk6 s GLN 19 Ca -0.01 0.69 -0.03 0.00 -1.95 0.00 0.00 55.36 54.06 2dk6 s GLN 19 Cb -0.02 -3.34 -0.01 0.00 -0.22 0.00 0.00 33.01 29.41 2dk6 s GLN 19 CO 0.01 0.37 -0.05 -1.58 -0.25 0.00 0.00 175.29 173.78 2dk6 s TRP 20 N -0.18 2.94 0.21 0.91 0.52 -1.26 -3.34 118.94 118.74 2dk6 s TRP 20 Ca 0.30 -0.86 0.09 0.00 0.02 0.00 0.00 56.10 55.66 2dk6 s TRP 20 Cb -0.18 -2.06 -0.04 0.00 -1.15 0.00 0.00 33.47 30.04 2dk6 s TRP 20 CO 0.16 -0.47 -0.08 0.20 0.02 0.00 0.00 176.95 176.78 2dk6 s GLY 21 N 1.25 1.72 -0.12 0.98 0.00 0.61 -4.89 107.32 106.87 2dk6 s GLY 21 Ca 0.03 -1.56 -0.03 0.00 0.00 0.00 0.00 44.72 43.16 2dk6 s GLY 21 CO -0.02 -1.60 -0.03 -0.98 0.00 0.00 0.00 173.10 170.47 2dk6 s TRP 22 N -1.94 3.06 -0.02 1.90 0.52 -1.26 -0.90 118.94 120.29 2dk6 s TRP 22 Ca 0.27 -0.08 0.03 0.00 0.02 0.00 0.00 56.10 56.34 2dk6 s TRP 22 Cb -0.08 -1.87 -0.00 0.00 -1.15 0.00 0.00 33.47 30.37 2dk6 s TRP 22 CO 0.16 0.18 -0.11 -0.06 0.02 0.00 0.00 176.95 177.14 2dk6 s PHE 23 N -0.19 1.10 -0.02 -1.98 0.40 -0.17 -0.19 117.98 116.93 2dk6 s PHE 23 Ca 0.04 -0.26 0.07 0.00 -0.60 0.00 0.00 56.93 56.18 2dk6 s PHE 23 Cb -0.13 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.63 2dk6 s PHE 23 CO 0.02 -0.09 -0.24 1.52 0.70 0.00 0.00 175.22 177.14 2dk6 s TYR 24 N 0.04 2.17 0.42 0.36 1.13 -0.52 -0.79 117.35 120.16 2dk6 s TYR 24 Ca -0.01 -0.45 -0.25 0.00 -1.41 0.00 0.00 57.07 54.95 2dk6 s TYR 24 Cb -0.08 -1.40 -0.08 0.00 -1.10 0.00 0.00 41.96 39.30 2dk6 s TYR 24 CO 0.00 -0.06 1.29 -1.17 -2.51 0.00 0.00 175.55 173.10 2dk6 s LEU 25 N -0.49 4.17 0.39 -3.49 2.96 -0.56 -0.93 118.68 120.72 2dk6 s LEU 25 Ca 0.07 2.62 0.08 0.00 -0.22 0.00 0.00 54.13 56.68 2dk6 s LEU 25 Cb -0.10 -3.97 -0.03 0.00 0.50 0.00 0.00 46.19 42.60 2dk6 s LEU 25 CO -0.00 -0.90 0.30 0.00 -1.32 0.00 0.00 176.35 174.43 2dk6 s ALA 26 N -1.30 3.88 0.23 5.97 0.00 -0.47 -4.77 121.76 125.31 2dk6 s ALA 26 Ca 0.59 -1.86 -0.05 0.00 0.00 0.00 0.00 51.96 50.63 2dk6 s ALA 26 Cb -0.37 -0.93 0.23 0.00 0.00 0.00 0.00 23.12 22.05 2dk6 s ALA 26 CO 0.47 -0.13 1.77 1.49 0.00 0.00 0.00 175.76 179.36 2dk6 h GLU 27 N 1.19 1.03 -0.23 0.00 4.57 -1.96 -2.30 114.58 116.88 2dk6 h GLU 27 Ca -0.43 -0.22 0.07 0.00 -1.18 0.00 0.00 59.36 57.60 2dk6 h GLU 27 Cb 1.26 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 2dk6 h GLU 27 CO 0.60 0.90 0.18 0.00 -1.18 0.00 0.00 179.01 179.51 2dk6 n GLY 29 N -1.55 2.47 3.86 0.00 0.00 -0.86 -5.11 105.19 104.00 2dk6 n GLY 29 Ca 0.03 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 2dk6 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dk6 s LYS 30 N 0.00 3.80 0.09 1.61 -2.85 -1.26 -4.60 119.74 116.54 2dk6 s LYS 30 Ca 0.00 0.74 -0.14 0.00 -1.00 0.00 0.00 55.97 55.57 2dk6 s LYS 30 Cb 0.00 -2.20 -0.06 0.00 -2.06 0.00 0.00 37.83 33.51 2dk6 s LYS 30 CO 0.00 -0.28 0.49 -1.58 0.10 0.00 0.00 175.35 174.08 2dk6 s TRP 31 N -2.69 3.65 0.08 1.78 0.52 -1.26 -1.36 118.94 119.65 2dk6 s TRP 31 Ca 0.55 1.01 0.07 0.00 0.02 0.00 0.00 56.10 57.76 2dk6 s TRP 31 Cb -0.10 -2.32 -0.04 0.00 -1.15 0.00 0.00 33.47 29.86 2dk6 s TRP 31 CO 0.37 0.51 -0.14 -1.01 0.02 0.00 0.00 176.95 176.71 2dk6 s HIS 32 N -1.33 2.65 0.06 -1.98 3.76 -0.10 -4.92 115.29 113.43 2dk6 s HIS 32 Ca 0.33 -0.20 -0.31 0.00 -0.15 0.00 0.00 55.06 54.74 2dk6 s HIS 32 Cb -0.16 -1.43 -0.05 0.00 1.11 0.00 0.00 32.58 32.05 2dk6 s HIS 32 CO 0.18 0.37 1.18 1.41 -0.85 0.00 0.00 174.74 177.03 2dk6 s MET 33 N -1.95 4.44 -0.27 1.40 1.75 -1.26 -1.43 119.30 121.98 2dk6 s MET 33 Ca 0.18 1.74 -0.42 0.00 -1.25 0.00 0.00 55.69 55.95 2dk6 s MET 33 Cb -0.11 -3.36 -0.17 0.00 2.84 0.00 0.00 34.83 34.03 2dk6 s MET 33 CO 0.10 -0.24 1.60 1.19 -0.65 0.00 0.00 175.02 177.02 2dk6 n PHE 34 N 3.92 1.78 -3.88 4.11 3.01 0.74 -4.93 117.46 122.21 2dk6 n PHE 34 Ca 0.09 0.77 -0.11 0.00 1.01 0.00 0.00 57.45 59.21 2dk6 n PHE 34 Cb 0.47 -2.35 -0.10 0.00 -0.01 0.00 0.00 39.48 37.49 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 2.71 0.47 -0.25 -1.08 -1.52 -1.26 -3.90 119.66 114.82 2dk6 s GLN 35 Ca 0.98 -0.41 -0.29 0.00 -1.95 0.00 0.00 55.36 53.69 2dk6 s GLN 35 Cb -1.20 0.19 -0.02 0.00 -0.22 0.00 0.00 33.01 31.77 2dk6 s GLN 35 CO 0.67 -0.11 1.64 -1.25 -0.25 0.00 0.00 175.29 175.99 2dk6 s PRO 36 N -1.38 3.69 0.15 2.91 0.04 -1.26 -4.90 135.00 134.25 2dk6 s PRO 36 Ca -0.15 1.57 -0.19 0.00 0.04 0.00 0.00 61.00 62.27 2dk6 s PRO 36 Cb -0.08 -4.07 0.06 0.00 0.04 0.00 0.00 34.50 30.46 2dk6 s PRO 36 CO 0.01 -1.42 1.20 -3.47 0.04 0.00 0.00 177.00 173.36 2dk6 n ASP 37 N 8.83 -0.66 -4.11 6.66 -0.08 -1.26 -3.89 116.55 122.02 2dk6 n ASP 37 Ca 0.19 1.37 -0.33 0.00 -1.51 0.00 0.00 54.79 54.51 2dk6 n ASP 37 Cb 0.46 -0.24 -0.16 0.00 2.34 0.00 0.00 41.12 43.52 2dk6 n ASP 37 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2dk6 s THR 38 N -5.56 2.14 0.21 5.18 -1.32 -1.26 -5.01 115.64 110.01 2dk6 s THR 38 Ca -0.10 -1.11 -0.11 0.00 -1.21 0.00 0.00 61.69 59.16 2dk6 s THR 38 Cb 0.12 -2.00 0.17 0.00 -1.51 0.00 0.00 72.50 69.28 2dk6 s THR 38 CO 0.52 0.38 1.69 -1.13 -2.21 0.00 0.00 174.62 173.86 2dk6 h ASN 39 N 7.90 -0.14 -1.86 8.08 -0.73 -2.00 -2.89 115.58 123.95 2dk6 h ASN 39 Ca -0.39 0.13 -0.60 0.00 1.87 0.00 0.00 56.30 57.31 2dk6 h ASN 39 Cb 1.11 0.21 -0.00 0.00 0.27 0.00 0.00 38.32 39.91 2dk6 h ASN 39 CO 0.59 -0.05 1.44 -1.20 -0.37 0.00 0.00 177.43 177.84 2dk6 n SER 40 N -5.20 3.17 -4.12 1.15 7.64 -1.26 -2.62 113.62 112.37 2dk6 n SER 40 Ca 0.08 0.34 -0.35 0.00 1.01 0.00 0.00 58.87 59.95 2dk6 n SER 40 Cb 0.32 -1.49 -0.04 0.00 -1.01 0.00 0.00 64.21 61.99 2dk6 n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dk6 n GLN 41 N 8.44 -1.17 -0.29 1.43 3.00 -1.26 -4.90 117.38 122.63 2dk6 n GLN 41 Ca 0.31 0.17 -0.16 0.00 -0.01 0.00 0.00 57.00 57.30 2dk6 n GLN 41 Cb 0.40 -3.47 0.16 0.00 0.00 0.00 0.00 30.24 27.33 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 -2.91 0.30 -4.19 0.00 2.88 -1.26 -5.07 113.62 103.37 2dk6 n SER 43 Ca 0.07 0.05 -0.16 0.00 -1.33 0.00 0.00 58.87 57.50 2dk6 n SER 43 Cb 0.32 -0.39 -0.11 0.00 -0.75 0.00 0.00 64.21 63.28 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 -1.29 1.08 0.21 2.46 -7.23 -1.26 -5.05 120.40 109.31 2dk6 s VAL 44 Ca -0.04 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 2dk6 s VAL 44 Cb 0.00 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.57 2dk6 s VAL 44 CO 0.05 -0.45 0.09 -0.44 -0.31 0.00 0.00 175.10 174.04 2dk6 s SER 45 N -2.29 0.72 0.61 4.85 0.01 -1.26 -4.00 113.70 112.34 2dk6 s SER 45 Ca 0.05 -1.32 0.25 0.00 1.31 0.00 0.00 55.95 56.23 2dk6 s SER 45 Cb -0.05 0.25 0.89 0.00 0.21 0.00 0.00 66.02 67.31 2dk6 s SER 45 CO 0.01 -0.74 1.32 0.77 0.41 0.00 0.00 173.24 175.02 2dk6 h SER 46 N 2.59 0.00 0.00 2.44 4.64 -1.93 0.49 113.55 121.78 2dk6 h SER 46 Ca -0.37 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 2dk6 h SER 46 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2dk6 h SER 46 CO 0.58 0.00 -0.22 -0.08 -0.87 0.00 0.00 176.83 176.25 2dk6 h GLU 47 N 0.00 0.00 -0.56 4.77 4.81 -1.92 -3.15 114.58 118.53 2dk6 h GLU 47 Ca 0.43 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.77 2dk6 h GLU 47 Cb 2.72 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 31.98 2dk6 h GLU 47 CO -0.00 0.66 -0.22 0.22 -0.73 0.00 0.00 179.01 178.94 2dk6 h ASP 48 N -1.00 -0.77 0.01 1.04 1.82 -0.41 -1.09 116.42 116.02 2dk6 h ASP 48 Ca -0.05 0.19 -0.00 0.00 -0.39 0.00 0.00 57.03 56.78 2dk6 h ASP 48 Cb 0.74 0.44 -0.00 0.00 0.68 0.00 0.00 39.33 41.19 2dk6 h ASP 48 CO -0.03 -0.24 -0.00 0.40 -1.61 0.00 0.00 179.24 177.75 2dk6 h ILE 49 N -0.08 0.00 -0.79 2.25 5.03 -1.57 -0.30 117.51 122.04 2dk6 h ILE 49 Ca 0.26 0.00 0.19 0.00 -0.12 0.00 0.00 64.86 65.19 2dk6 h ILE 49 Cb 0.48 0.00 -0.15 0.00 -3.03 0.00 0.00 36.82 34.12 2dk6 h ILE 49 CO -0.62 0.00 -0.08 1.21 -0.68 0.00 0.00 178.15 177.98 2dk6 n GLU 50 N -2.15 -0.07 -0.22 2.37 0.00 -1.11 0.22 120.64 119.68 2dk6 n GLU 50 Ca -0.00 1.21 -0.07 0.00 0.00 0.00 0.00 57.16 58.30 2dk6 n GLU 50 Cb 0.00 -1.87 0.03 0.00 0.00 0.00 0.00 31.44 29.61 2dk6 n GLU 50 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2dk6 h LYS 51 N 0.00 0.93 0.05 5.31 3.64 -1.04 -2.21 116.57 123.25 2dk6 h LYS 51 Ca 0.44 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 2dk6 h LYS 51 Cb 0.81 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2dk6 h LYS 51 CO -0.78 0.77 -0.02 1.03 -2.27 0.00 0.00 179.45 178.18 2dk6 h SER 52 N 0.87 -0.06 -0.98 4.20 0.87 0.45 -3.01 113.55 115.90 2dk6 h SER 52 Ca 0.21 -0.27 0.16 0.00 -1.23 0.00 0.00 61.79 60.67 2dk6 h SER 52 Cb 0.18 0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 62.06 2dk6 h SER 52 CO -0.02 0.24 0.59 0.15 -0.53 0.00 0.00 176.83 177.26 2dk6 h PHE 53 N -0.35 1.04 -0.20 2.24 3.04 -0.41 -1.15 116.94 121.15 2dk6 h PHE 53 Ca -0.01 0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.01 2dk6 h PHE 53 Cb 0.32 -0.32 -0.03 0.00 2.56 0.00 0.00 35.95 38.48 2dk6 h PHE 53 CO 0.02 0.28 -0.02 0.87 -2.02 0.00 0.00 178.31 177.45 2dk6 h LYS 54 N 0.80 0.04 0.25 1.11 1.57 -1.27 -0.43 116.57 118.64 2dk6 h LYS 54 Ca 0.54 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.31 2dk6 h LYS 54 Cb 0.75 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2dk6 h LYS 54 CO -0.35 0.03 -0.16 1.15 -0.57 0.00 0.00 179.45 179.54 2dk6 h THR 55 N 0.04 0.65 -2.97 -0.16 2.02 -1.11 -3.38 112.91 108.01 2dk6 h THR 55 Ca 0.10 0.00 -0.61 0.00 0.77 0.00 0.00 66.41 66.67 2dk6 h THR 55 Cb 0.13 0.65 -0.40 0.00 -1.74 0.00 0.00 68.15 66.79 2dk6 h THR 55 CO -0.17 0.00 -0.75 0.21 0.37 0.00 0.00 175.52 175.18 2dk6 s ASN 56 N -4.84 3.62 0.00 4.18 2.47 -0.80 -4.95 114.94 114.62 2dk6 s ASN 56 Ca -0.15 -2.51 0.16 0.00 0.42 0.00 0.00 52.86 50.78 2dk6 s ASN 56 Cb 0.06 -0.97 0.91 0.00 -1.45 0.00 0.00 41.25 39.80 2dk6 s ASN 56 CO 0.65 -0.28 1.35 -0.81 -3.72 0.00 0.00 177.10 174.29 2dk6 n PRO 57 N 3.69 0.46 -1.10 0.43 -0.04 -0.19 -2.33 135.00 135.92 2dk6 n PRO 57 Ca 0.08 0.02 0.05 0.00 -0.04 0.00 0.00 63.50 63.60 2dk6 n PRO 57 Cb 0.35 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.20 4.33 3.42 0.00 0.00 -0.99 -4.34 105.19 107.41 2dk6 n GLY 59 Ca 0.11 -1.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 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 0.55 -0.53 -0.29 1.61 1.04 -1.26 -0.75 113.70 114.07 2dk6 s SER 60 Ca 0.00 0.98 -0.02 0.00 0.48 0.00 0.00 55.95 57.39 2dk6 s SER 60 Cb 0.00 0.99 0.04 0.00 0.10 0.00 0.00 66.02 67.16 2dk6 s SER 60 CO 0.00 -0.22 -0.02 -0.51 0.98 0.00 0.00 173.24 173.47 2dk6 s ILE 61 N 0.10 2.95 -0.15 -1.02 2.07 0.23 -4.94 121.20 120.43 2dk6 s ILE 61 Ca -0.01 -1.30 -0.18 0.00 -1.41 0.00 0.00 60.65 57.75 2dk6 s ILE 61 Cb -0.04 -2.65 -0.04 0.00 0.13 0.00 0.00 42.46 39.86 2dk6 s ILE 61 CO 0.01 -0.03 0.46 -0.94 -1.91 0.00 0.00 174.94 172.53 2dk6 s SER 62 N 1.27 6.60 -0.16 4.50 1.04 -1.26 -1.85 113.70 123.84 2dk6 s SER 62 Ca -0.04 0.72 -0.11 0.00 0.48 0.00 0.00 55.95 57.00 2dk6 s SER 62 Cb -0.19 -2.27 0.05 0.00 0.10 0.00 0.00 66.02 63.71 2dk6 s SER 62 CO -0.02 -0.04 0.40 0.72 0.98 0.00 0.00 173.24 175.29 2dk6 s PHE 63 N 0.90 -0.54 -0.16 5.02 -0.12 -0.77 -5.04 117.98 117.27 2dk6 s PHE 63 Ca 0.24 1.21 0.01 0.00 -0.05 0.00 0.00 56.93 58.34 2dk6 s PHE 63 Cb -0.15 0.22 0.01 0.00 -0.63 0.00 0.00 43.02 42.47 2dk6 s PHE 63 CO 0.09 -0.30 -0.19 0.95 -0.05 0.00 0.00 175.22 175.73 2dk6 s THR 64 N 1.02 2.29 0.36 -4.49 -4.23 -1.26 -1.49 115.64 107.84 2dk6 s THR 64 Ca -0.07 -0.89 -0.02 0.00 -1.18 0.00 0.00 61.69 59.54 2dk6 s THR 64 Cb -0.07 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.79 2dk6 s THR 64 CO -0.08 0.53 0.60 0.42 -0.54 0.00 0.00 174.62 175.54 2dk6 s THR 65 N 0.97 5.05 0.01 3.99 -4.23 0.93 -4.94 115.64 117.43 2dk6 s THR 65 Ca -0.03 -0.23 0.16 0.00 -1.18 0.00 0.00 61.69 60.42 2dk6 s THR 65 Cb -0.15 -3.84 0.16 0.00 1.34 0.00 0.00 72.50 70.02 2dk6 s THR 65 CO -0.04 -0.57 1.42 -1.28 -0.54 0.00 0.00 174.62 173.61 2dk6 h SER 66 N 0.83 0.00 0.00 3.99 0.87 -1.97 -1.91 113.55 115.36 2dk6 h SER 66 Ca -0.49 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 59.97 2dk6 h SER 66 Cb 1.21 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 2dk6 h SER 66 CO 0.62 0.00 -0.87 1.17 -0.53 0.00 0.00 176.83 177.22 2dk6 n LYS 67 N -2.16 0.50 -3.84 2.24 4.81 -1.26 -5.07 118.16 113.38 2dk6 n LYS 67 Ca -0.01 0.54 -0.09 0.00 -0.87 0.00 0.00 58.31 57.88 2dk6 n LYS 67 Cb 0.26 -1.71 0.01 0.00 0.02 0.00 0.00 35.03 33.61 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 -2.30 0.13 0.18 5.64 0.08 -0.72 -5.13 117.98 115.86 2dk6 s PHE 68 Ca -0.21 -0.73 -0.04 0.00 0.12 0.00 0.00 56.93 56.07 2dk6 s PHE 68 Cb 0.04 0.74 -0.05 0.00 -0.57 0.00 0.00 43.02 43.18 2dk6 s PHE 68 CO 0.38 -1.47 0.41 -1.54 -0.10 0.00 0.00 175.22 172.90 2dk6 s SER 69 N -3.05 6.45 -0.17 1.36 1.04 -1.26 -0.05 113.70 118.02 2dk6 s SER 69 Ca 0.16 0.55 -0.17 0.00 0.48 0.00 0.00 55.95 56.97 2dk6 s SER 69 Cb -0.05 -2.08 0.05 0.00 0.10 0.00 0.00 66.02 64.04 2dk6 s SER 69 CO 0.11 -0.01 0.49 -0.31 0.98 0.00 0.00 173.24 174.50 2dk6 s TYR 70 N -1.78 -0.53 -0.09 5.02 2.02 -0.56 -3.72 117.35 117.72 2dk6 s TYR 70 Ca 0.41 1.27 0.00 0.00 -0.37 0.00 0.00 57.07 58.38 2dk6 s TYR 70 Cb -0.12 0.19 0.02 0.00 -0.40 0.00 0.00 41.96 41.65 2dk6 s TYR 70 CO 0.27 -0.27 -0.08 0.21 -1.57 0.00 0.00 175.55 174.10 2dk6 s LYS 71 N 0.15 1.45 -0.40 -0.62 2.20 0.46 -1.84 119.74 121.14 2dk6 s LYS 71 Ca -0.01 -0.26 -0.07 0.00 -0.36 0.00 0.00 55.97 55.27 2dk6 s LYS 71 Cb -0.03 -1.42 0.08 0.00 -1.51 0.00 0.00 37.83 34.95 2dk6 s LYS 71 CO 0.01 -0.16 0.21 0.42 -0.36 0.00 0.00 175.35 175.47 2dk6 s ILE 72 N 1.33 3.88 -0.69 5.43 1.01 -0.77 0.21 121.20 131.60 2dk6 s ILE 72 Ca -0.03 -1.53 -0.22 0.00 0.00 0.00 0.00 60.65 58.88 2dk6 s ILE 72 Cb -0.14 -3.41 0.08 0.00 0.01 0.00 0.00 42.46 39.00 2dk6 s ILE 72 CO -0.04 -0.49 0.97 1.51 0.00 0.00 0.00 174.94 176.89 2dk6 s ASP 73 N 1.95 6.23 0.22 3.58 1.47 -0.47 -0.61 116.67 129.04 2dk6 s ASP 73 Ca 0.03 -1.16 -0.07 0.00 1.18 0.00 0.00 52.55 52.53 2dk6 s ASP 73 Cb -0.23 -2.41 0.35 0.00 -0.34 0.00 0.00 42.92 40.29 2dk6 s ASP 73 CO 0.00 -1.37 1.75 -0.26 0.68 0.00 0.00 175.17 175.97 2dk6 h PHE 74 N 9.46 0.48 -0.50 2.11 0.04 -1.20 0.44 116.94 127.76 2dk6 h PHE 74 Ca -0.23 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.59 2dk6 h PHE 74 Cb 1.07 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 39.07 2dk6 h PHE 74 CO 0.98 0.12 0.31 0.00 -0.60 0.00 0.00 178.31 179.12 2dk6 h ALA 75 N 1.46 0.64 -0.00 2.45 0.00 -1.44 -1.08 119.26 121.28 2dk6 h ALA 75 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2dk6 h ALA 75 Cb 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2dk6 h ALA 75 CO -0.33 0.02 -0.01 0.39 0.00 0.00 0.00 179.25 179.32 2dk6 n GLU 76 N -4.79 0.34 -3.89 0.00 1.02 -0.59 -4.93 120.64 107.81 2dk6 n GLU 76 Ca 0.03 -0.01 -0.26 0.00 -0.02 0.00 0.00 57.16 56.90 2dk6 n GLU 76 Cb 0.06 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 29.97 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 -1.32 -3.09 -3.57 3.49 2.81 0.14 -4.96 117.12 110.63 2dk6 n MET 77 Ca 0.13 0.43 -0.10 0.00 -1.81 0.00 0.00 57.70 56.35 2dk6 n MET 77 Cb 0.26 -4.49 -0.02 0.00 -0.71 0.00 0.00 33.22 28.26 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 -6.43 1.34 -0.43 0.03 -2.85 -1.11 -3.96 119.74 106.33 2dk6 s LYS 78 Ca 0.08 -0.59 -0.09 0.00 -1.00 0.00 0.00 55.97 54.37 2dk6 s LYS 78 Cb -0.03 0.55 0.09 0.00 -2.06 0.00 0.00 37.83 36.38 2dk6 s LYS 78 CO 0.88 -0.60 0.28 -1.14 0.10 0.00 0.00 175.35 174.87 2dk6 s GLN 79 N -3.67 2.56 -0.17 1.78 0.74 -0.79 -1.37 119.66 118.75 2dk6 s GLN 79 Ca 0.05 -1.54 -0.29 0.00 0.05 0.00 0.00 55.36 53.63 2dk6 s GLN 79 Cb -0.02 -3.81 -0.00 0.00 1.10 0.00 0.00 33.01 30.27 2dk6 s GLN 79 CO -0.06 -1.02 1.05 1.41 -0.55 0.00 0.00 175.29 176.12 2dk6 s MET 80 N 1.40 4.33 0.20 1.67 -2.45 0.57 -3.05 119.30 121.98 2dk6 s MET 80 Ca 0.04 1.41 -0.19 0.00 -1.25 0.00 0.00 55.69 55.70 2dk6 s MET 80 Cb -0.24 -3.60 -0.08 0.00 1.25 0.00 0.00 34.83 32.16 2dk6 s MET 80 CO 0.01 -0.50 0.70 1.21 1.05 0.00 0.00 175.02 177.50 2dk6 s ASN 81 N 1.23 7.06 -0.09 1.11 3.84 -0.00 -0.40 114.94 127.68 2dk6 s ASN 81 Ca 0.47 1.39 -0.01 0.00 0.21 0.00 0.00 52.86 54.93 2dk6 s ASN 81 Cb -0.17 -2.41 -0.06 0.00 -0.55 0.00 0.00 41.25 38.06 2dk6 s ASN 81 CO 0.12 0.07 -0.09 0.18 -2.79 0.00 0.00 177.10 174.59 2dk6 n LEU 82 N 0.85 2.49 -0.22 3.21 7.99 -1.24 -3.15 117.00 126.94 2dk6 n LEU 82 Ca -0.03 -0.01 -0.01 0.00 -0.01 0.00 0.00 56.01 55.94 2dk6 n LEU 82 Cb 0.51 -0.32 0.10 0.00 -0.11 0.00 0.00 43.42 43.60 2dk6 n LEU 82 CO 0.43 0.56 1.05 0.00 -1.51 0.00 0.00 177.39 177.92 2dk6 h THR 83 N -0.08 0.90 0.00 -5.08 1.03 -1.95 -3.18 112.91 104.55 2dk6 h THR 83 Ca -0.22 -0.20 0.00 0.00 -0.01 0.00 0.00 66.41 65.99 2dk6 h THR 83 Cb 1.30 0.27 0.00 0.00 -1.07 0.00 0.00 68.15 68.65 2dk6 h THR 83 CO -0.06 0.11 -1.31 0.35 -0.01 0.00 0.00 175.52 174.59 2dk6 n THR 84 N -4.86 0.00 -1.02 0.00 -2.24 -1.26 -5.00 114.28 99.89 2dk6 n THR 84 Ca 0.08 -0.23 -0.01 0.00 -2.27 0.00 0.00 64.05 61.63 2dk6 n THR 84 Cb 0.21 0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 68.81 2dk6 n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dk6 n GLY 85 N 1.86 0.47 3.91 3.38 0.00 -1.19 -5.04 105.19 108.59 2dk6 n GLY 85 Ca -0.01 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.53 1.86 0.01 1.61 -0.14 -1.25 -4.76 119.74 115.53 2dk6 s LYS 86 Ca 0.00 -0.06 0.04 0.00 -1.36 0.00 0.00 55.97 54.59 2dk6 s LYS 86 Cb 0.00 -2.00 -0.01 0.00 -1.68 0.00 0.00 37.83 34.14 2dk6 s LYS 86 CO 0.00 -1.60 -0.12 1.14 -0.76 0.00 0.00 175.35 174.01 2dk6 s GLN 87 N -5.53 0.91 0.11 1.68 1.03 -1.26 -0.82 119.66 115.79 2dk6 s GLN 87 Ca 0.63 -0.51 -0.05 0.00 0.04 0.00 0.00 55.36 55.47 2dk6 s GLN 87 Cb -0.10 -0.89 -0.02 0.00 0.03 0.00 0.00 33.01 32.03 2dk6 s GLN 87 CO 0.48 0.24 0.13 -0.98 -2.54 0.00 0.00 175.29 172.62 2dk6 s ARG 88 N -0.54 0.90 0.12 9.60 1.70 -1.17 -5.02 118.95 124.54 2dk6 s ARG 88 Ca 0.03 -1.20 0.01 0.00 -0.47 0.00 0.00 55.73 54.10 2dk6 s ARG 88 Cb -0.05 0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 2dk6 s ARG 88 CO 0.00 -0.27 0.28 -0.51 -1.08 0.00 0.00 175.30 173.71 2dk6 s LEU 89 N -2.95 4.33 0.40 -1.89 2.01 -1.26 -1.88 118.68 117.44 2dk6 s LEU 89 Ca 0.14 0.26 0.03 0.00 0.01 0.00 0.00 54.13 54.57 2dk6 s LEU 89 Cb 0.06 -2.98 -0.04 0.00 0.01 0.00 0.00 46.19 43.24 2dk6 s LEU 89 CO -0.04 0.08 0.09 0.27 1.01 0.00 0.00 176.35 177.75 2dk6 s ILE 90 N -1.67 0.89 -0.15 -0.59 -4.36 -1.25 -1.50 121.20 112.57 2dk6 s ILE 90 Ca 0.36 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.46 2dk6 s ILE 90 Cb -0.12 -2.48 0.08 0.00 1.25 0.00 0.00 42.46 41.20 2dk6 s ILE 90 CO 0.28 0.00 0.75 -1.59 0.24 0.00 0.00 174.94 174.62 2dk6 s LYS 91 N -3.79 0.90 -0.28 0.37 -2.85 0.03 -4.90 119.74 109.22 2dk6 s LYS 91 Ca 0.25 0.51 0.00 0.00 -1.00 0.00 0.00 55.97 55.73 2dk6 s LYS 91 Cb 0.04 0.43 0.05 0.00 -2.06 0.00 0.00 37.83 36.30 2dk6 s LYS 91 CO 0.13 -0.22 -0.05 0.50 0.10 0.00 0.00 175.35 175.81 2dk6 s ARG 92 N -0.58 2.43 0.04 1.78 3.52 -1.26 -1.00 118.95 123.88 2dk6 s ARG 92 Ca -0.06 -1.25 -0.06 0.00 -0.13 0.00 0.00 55.73 54.24 2dk6 s ARG 92 Cb -0.02 -3.04 -0.01 0.00 -1.56 0.00 0.00 34.95 30.33 2dk6 s ARG 92 CO 0.05 -0.56 0.11 0.00 -0.81 0.00 0.00 175.30 174.09 2dk6 s ALA 93 N 1.21 -0.11 0.45 6.12 0.00 -0.08 -4.95 121.76 124.40 2dk6 s ALA 93 Ca -0.06 -0.51 -0.23 0.00 0.00 0.00 0.00 51.96 51.16 2dk6 s ALA 93 Cb -0.19 0.26 -0.08 0.00 0.00 0.00 0.00 23.12 23.11 2dk6 s ALA 93 CO -0.03 -0.33 1.17 -1.25 0.00 0.00 0.00 175.76 175.32 2dk6 s PRO 94 N -2.62 3.80 0.15 0.00 0.04 -1.26 -0.28 135.00 134.83 2dk6 s PRO 94 Ca -0.05 1.79 -0.18 0.00 0.04 0.00 0.00 61.00 62.60 2dk6 s PRO 94 Cb -0.01 -2.45 0.05 0.00 0.04 0.00 0.00 34.50 32.13 2dk6 s PRO 94 CO -0.05 -0.52 1.69 0.74 0.04 0.00 0.00 177.00 178.90 2dk6 h PHE 95 N 2.14 -0.13 -3.40 0.56 0.04 -1.89 -3.41 116.94 110.84 2dk6 h PHE 95 Ca -0.49 0.03 -0.52 0.00 2.80 0.00 0.00 57.97 59.78 2dk6 h PHE 95 Cb 1.25 0.11 0.04 0.00 2.20 0.00 0.00 35.95 39.54 2dk6 h PHE 95 CO 0.54 -0.12 0.68 -1.12 -0.60 0.00 0.00 178.31 177.69 2dk6 s SER 96 N -5.22 6.82 -0.72 2.17 0.01 -1.26 -4.93 113.70 110.57 2dk6 s SER 96 Ca -0.14 2.49 -0.02 0.00 1.31 0.00 0.00 55.95 59.60 2dk6 s SER 96 Cb 0.13 -2.62 0.42 0.00 0.21 0.00 0.00 66.02 64.16 2dk6 s SER 96 CO 0.70 -0.58 2.01 -1.54 0.41 0.00 0.00 173.24 174.24 2dk6 n SER 97 N 2.47 7.58 0.00 2.44 3.41 -1.26 -4.96 113.62 123.30 2dk6 n SER 97 Ca 0.06 -3.80 0.00 0.00 -0.26 0.00 0.00 58.87 54.87 2dk6 n SER 97 Cb 0.42 -0.99 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 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 -0.79 -0.57 3.57 5.00 0.00 -1.26 -5.17 105.19 105.98 2dk6 n GLY 98 Ca 0.60 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.77 -1.62 -0.20 1.61 0.04 -1.26 -5.02 135.00 127.78 2dk6 s PRO 99 Ca 0.00 -0.20 -0.12 0.00 0.04 0.00 0.00 61.00 60.72 2dk6 s PRO 99 Cb 0.00 -1.56 -0.05 0.00 0.04 0.00 0.00 34.50 32.93 2dk6 s PRO 99 CO 0.00 -3.95 0.22 -1.54 0.04 0.00 0.00 177.00 171.77 2dk6 s SER 100 N -4.00 6.29 -0.30 6.66 1.04 -1.26 -5.06 113.70 117.07 2dk6 s SER 100 Ca 0.72 0.32 -0.11 0.00 0.48 0.00 0.00 55.95 57.36 2dk6 s SER 100 Cb -0.07 -2.14 0.12 0.00 0.10 0.00 0.00 66.02 64.03 2dk6 s SER 100 CO 0.56 0.10 0.67 -0.44 0.98 0.00 0.00 173.24 175.11 2dk6 s SER 101 N 0.61 -1.10 0.00 7.02 0.01 -1.26 -5.29 113.70 113.69 2dk6 s SER 101 Ca 0.12 1.55 0.00 0.00 1.31 0.00 0.00 55.95 58.93 2dk6 s SER 101 Cb -0.13 2.13 0.00 0.00 0.21 0.00 0.00 66.02 68.24 2dk6 s SER 101 CO 0.02 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.06