#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj6 n GLY 2 N 0.00 0.49 7.00 3.03 0.00 -1.26 -5.16 105.19 109.29 2kj6 n GLY 2 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 2kj6 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kj6 n HIS 3 N 8.98 -0.84 -4.04 1.61 -0.00 -1.26 -4.73 115.22 114.94 2kj6 n HIS 3 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.47 2kj6 n HIS 3 Cb 0.00 0.17 -0.17 0.00 -0.00 0.00 0.00 29.99 29.99 2kj6 n HIS 3 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kj6 s HIS 4 N 0.00 1.35 -1.19 4.41 0.00 -1.26 -5.07 115.29 113.53 2kj6 s HIS 4 Ca 0.00 -0.61 -0.11 0.00 -3.00 0.00 0.00 55.06 51.34 2kj6 s HIS 4 Cb 0.00 -1.12 0.21 0.00 -4.00 0.00 0.00 32.58 27.67 2kj6 s HIS 4 CO 0.00 -0.43 1.41 0.72 -1.00 0.00 0.00 174.74 175.44 2kj6 n HIS 5 N 4.68 4.69 0.00 0.38 -0.00 -1.26 -4.59 115.22 119.12 2kj6 n HIS 5 Ca -0.15 -3.40 -0.00 0.00 -0.00 0.00 0.00 57.72 54.17 2kj6 n HIS 5 Cb 0.50 -1.99 -0.00 0.00 -0.00 0.00 0.00 29.99 28.50 2kj6 n HIS 5 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kj6 n HIS 6 N 4.43 0.00 -2.20 4.41 -0.00 -1.26 -5.13 115.22 115.47 2kj6 n HIS 6 Ca 0.33 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 58.02 2kj6 n HIS 6 Cb 0.40 -0.01 -0.03 0.00 -0.00 0.00 0.00 29.99 30.36 2kj6 n HIS 6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kj6 n HIS 7 N -3.05 -3.40 -0.36 1.57 -0.00 -1.26 -4.88 115.22 103.84 2kj6 n HIS 7 Ca -0.01 1.99 0.02 0.00 -0.00 0.00 0.00 57.72 59.72 2kj6 n HIS 7 Cb 0.47 -3.31 0.17 0.00 -0.00 0.00 0.00 29.99 27.31 2kj6 n HIS 7 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kj6 h HIS 8 N 3.05 1.20 -1.37 4.41 2.76 -2.00 -3.47 115.15 119.73 2kj6 h HIS 8 Ca -0.30 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.90 2kj6 h HIS 8 Cb 0.67 -0.40 0.00 0.00 1.55 0.00 0.00 27.41 29.23 2kj6 h HIS 8 CO 0.00 0.66 0.00 0.45 -1.30 0.00 0.00 177.93 177.74 2kj6 n SER 9 N -4.47 -4.10 -2.10 3.26 2.88 -1.26 -4.64 113.62 103.19 2kj6 n SER 9 Ca 0.14 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.69 2kj6 n SER 9 Cb 0.14 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.63 2kj6 n SER 9 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2kj6 n HIS 10 N -0.92 0.32 -1.37 0.66 -0.00 -1.26 -4.99 115.22 107.66 2kj6 n HIS 10 Ca 0.00 -1.27 -0.39 0.00 -0.00 0.00 0.00 57.72 56.05 2kj6 n HIS 10 Cb 0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 29.99 30.00 2kj6 n HIS 10 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kj6 n GLY 11 N -0.18 4.31 3.30 -1.41 0.00 -1.26 -4.84 105.19 105.11 2kj6 n GLY 11 Ca 0.01 -1.53 -0.46 0.00 0.00 0.00 0.00 46.02 44.04 2kj6 n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kj6 s ASP 12 N 2.14 6.40 0.12 1.61 2.15 -1.26 -4.97 116.67 122.86 2kj6 s ASP 12 Ca 0.68 -2.32 -0.24 0.00 0.43 0.00 0.00 52.55 51.10 2kj6 s ASP 12 Cb 0.18 -2.18 0.08 0.00 -0.30 0.00 0.00 42.92 40.70 2kj6 s ASP 12 CO -0.06 -0.67 1.12 -0.67 -0.17 0.00 0.00 175.17 174.71 2kj6 n ASP 13 N 4.48 -1.57 -1.02 -0.34 -0.08 -1.26 -5.16 116.55 111.59 2kj6 n ASP 13 Ca 0.02 -1.70 0.04 0.00 -1.51 0.00 0.00 54.79 51.64 2kj6 n ASP 13 Cb 0.43 2.52 -0.01 0.00 2.34 0.00 0.00 41.12 46.40 2kj6 n ASP 13 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2kj6 n SER 14 N -1.23 -6.09 -4.48 1.67 7.64 -1.26 -4.83 113.62 105.04 2kj6 n SER 14 Ca 0.00 0.32 -0.32 0.00 1.01 0.00 0.00 58.87 59.88 2kj6 n SER 14 Cb 0.58 -0.90 -0.13 0.00 -1.01 0.00 0.00 64.21 62.76 2kj6 n SER 14 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2kj6 s VAL 15 N -0.47 2.96 -0.71 0.44 -7.23 0.30 -4.85 120.40 110.84 2kj6 s VAL 15 Ca 0.00 -0.97 -0.16 0.00 -1.81 0.00 0.00 61.98 59.04 2kj6 s VAL 15 Cb 0.00 -2.21 0.17 0.00 0.56 0.00 0.00 36.38 34.89 2kj6 s VAL 15 CO 0.00 0.44 0.71 -1.00 -0.31 0.00 0.00 175.10 174.94 2kj6 s HIS 16 N -0.85 3.44 -0.26 2.82 3.76 -1.25 -2.19 115.29 120.76 2kj6 s HIS 16 Ca 0.14 -1.58 -0.14 0.00 -0.15 0.00 0.00 55.06 53.34 2kj6 s HIS 16 Cb -0.11 -3.88 -0.04 0.00 1.11 0.00 0.00 32.58 29.66 2kj6 s HIS 16 CO 0.04 -1.09 0.31 -0.51 -0.85 0.00 0.00 174.74 172.64 2kj6 s LEU 17 N 1.19 4.06 -0.32 0.89 1.43 -0.80 -3.13 118.68 121.99 2kj6 s LEU 17 Ca 0.14 0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 53.25 2kj6 s LEU 17 Cb -0.18 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.71 2kj6 s LEU 17 CO -0.03 -0.10 0.75 -1.00 0.23 0.00 0.00 176.35 176.19 2kj6 s HIS 18 N 1.74 3.18 -0.31 0.29 3.76 -1.14 -0.30 115.29 122.51 2kj6 s HIS 18 Ca 0.13 0.67 -0.27 0.00 -0.15 0.00 0.00 55.06 55.44 2kj6 s HIS 18 Cb -0.15 -3.22 0.01 0.00 1.11 0.00 0.00 32.58 30.33 2kj6 s HIS 18 CO 0.09 -0.60 0.99 0.42 -0.85 0.00 0.00 174.74 174.80 2kj6 s ILE 19 N 2.91 4.60 -0.05 0.60 1.01 0.11 -0.35 121.20 130.04 2kj6 s ILE 19 Ca 0.30 1.62 0.06 0.00 0.00 0.00 0.00 60.65 62.63 2kj6 s ILE 19 Cb -0.14 -4.33 -0.02 0.00 0.01 0.00 0.00 42.46 37.98 2kj6 s ILE 19 CO 0.14 -0.39 -0.23 0.42 0.00 0.00 0.00 174.94 174.88 2kj6 s THR 20 N 3.42 2.26 -0.13 2.92 -4.23 0.14 -2.16 115.64 117.86 2kj6 s THR 20 Ca 0.42 -1.01 -0.14 0.00 -1.18 0.00 0.00 61.69 59.78 2kj6 s THR 20 Cb -0.13 -1.82 -0.05 0.00 1.34 0.00 0.00 72.50 71.84 2kj6 s THR 20 CO 0.14 0.57 0.34 -2.28 -0.54 0.00 0.00 174.62 172.84 2kj6 s HIS 21 N -0.35 3.51 0.20 3.99 2.46 -1.13 -0.80 115.29 123.17 2kj6 s HIS 21 Ca 0.02 0.70 -0.10 0.00 0.47 0.00 0.00 55.06 56.15 2kj6 s HIS 21 Cb -0.12 -2.36 0.22 0.00 -0.13 0.00 0.00 32.58 30.20 2kj6 s HIS 21 CO 0.02 0.30 1.78 0.00 -2.47 0.00 0.00 174.74 174.37 2kj6 h ALA 22 N 6.36 0.80 0.00 1.58 0.00 -1.83 -1.14 119.26 125.03 2kj6 h ALA 22 Ca -0.43 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2kj6 h ALA 22 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2kj6 h ALA 22 CO 0.73 -0.06 0.00 -0.97 0.00 0.00 0.00 179.25 178.95 2kj6 h ASN 23 N 0.56 0.00 -3.28 0.00 -0.73 -1.92 -3.41 115.58 106.80 2kj6 h ASN 23 Ca 0.28 0.00 -0.60 0.00 1.87 0.00 0.00 56.30 57.85 2kj6 h ASN 23 Cb 0.23 0.00 -0.40 0.00 0.27 0.00 0.00 38.32 38.42 2kj6 h ASN 23 CO -0.21 0.00 -0.75 -0.76 -0.37 0.00 0.00 177.43 175.34 2kj6 s LEU 24 N -5.75 2.57 0.50 0.34 1.43 -0.43 -4.94 118.68 112.40 2kj6 s LEU 24 Ca 0.05 -1.92 0.27 0.00 -1.03 0.00 0.00 54.13 51.50 2kj6 s LEU 24 Cb 0.08 -0.97 1.32 0.00 0.03 0.00 0.00 46.19 46.65 2kj6 s LEU 24 CO 0.58 -0.38 2.01 0.50 0.23 0.00 0.00 176.35 179.29 2kj6 h LYS 25 N 7.72 0.00 0.00 1.70 3.64 -1.80 -2.20 116.57 125.63 2kj6 h LYS 25 Ca -0.09 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 2kj6 h LYS 25 Cb 0.99 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 2kj6 h LYS 25 CO 0.48 0.15 -0.19 0.77 -2.27 0.00 0.00 179.45 178.38 2kj6 h SER 26 N 0.00 0.00 -2.89 4.20 0.02 -1.92 -3.39 113.55 109.57 2kj6 h SER 26 Ca -0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 2kj6 h SER 26 Cb 0.45 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.85 2kj6 h SER 26 CO 0.02 0.19 0.50 0.12 -1.14 0.00 0.00 176.83 176.53 2kj6 s PHE 27 N -4.16 2.75 -0.40 3.45 5.36 -0.83 -4.86 117.98 119.29 2kj6 s PHE 27 Ca -0.02 -0.37 0.09 0.00 -0.96 0.00 0.00 56.93 55.67 2kj6 s PHE 27 Cb 0.13 -4.15 0.31 0.00 -0.34 0.00 0.00 43.02 38.97 2kj6 s PHE 27 CO 0.63 -1.49 0.77 0.43 -1.46 0.00 0.00 175.22 174.09 2kj6 n SER 28 N 7.49 -0.25 -4.75 6.13 7.64 -1.24 -2.83 113.62 125.81 2kj6 n SER 28 Ca -0.02 -3.09 -0.40 0.00 1.01 0.00 0.00 58.87 56.37 2kj6 n SER 28 Cb 0.46 0.07 -0.05 0.00 -1.01 0.00 0.00 64.21 63.68 2kj6 n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kj6 s ALA 29 N -1.36 3.38 -0.02 -0.43 0.00 -0.92 -4.76 121.76 117.66 2kj6 s ALA 29 Ca 0.35 0.25 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 2kj6 s ALA 29 Cb 0.29 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.41 2kj6 s ALA 29 CO -0.10 0.07 0.93 0.16 0.00 0.00 0.00 175.76 176.82 2kj6 s ASP 30 N -0.03 7.30 0.28 0.00 -4.77 -1.26 0.09 116.67 118.27 2kj6 s ASP 30 Ca 0.38 1.57 0.09 0.00 -3.30 0.00 0.00 52.55 51.30 2kj6 s ASP 30 Cb -0.20 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.04 2kj6 s ASP 30 CO 0.22 -0.24 0.00 0.00 0.70 0.00 0.00 175.17 175.85 2kj6 s ALA 31 N 1.01 3.18 -0.21 2.11 0.00 0.59 -4.93 121.76 123.51 2kj6 s ALA 31 Ca 0.49 -1.69 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 2kj6 s ALA 31 Cb -0.20 -0.74 0.01 0.00 0.00 0.00 0.00 23.12 22.19 2kj6 s ALA 31 CO 0.26 0.24 -0.11 -0.98 0.00 0.00 0.00 175.76 175.17 2kj6 s ARG 32 N -3.69 3.09 0.13 0.00 1.70 -1.26 -1.91 118.95 117.02 2kj6 s ARG 32 Ca 0.32 -0.79 0.07 0.00 -0.47 0.00 0.00 55.73 54.86 2kj6 s ARG 32 Cb -0.06 -2.82 -0.04 0.00 -0.57 0.00 0.00 34.95 31.47 2kj6 s ARG 32 CO 0.20 -0.25 -0.17 -0.06 -1.08 0.00 0.00 175.30 173.95 2kj6 s PHE 33 N 1.36 1.59 -0.31 5.89 0.08 -0.93 -4.97 117.98 120.71 2kj6 s PHE 33 Ca 0.04 -0.50 -0.15 0.00 0.12 0.00 0.00 56.93 56.45 2kj6 s PHE 33 Cb -0.14 -0.83 -0.03 0.00 -0.57 0.00 0.00 43.02 41.45 2kj6 s PHE 33 CO -0.08 0.21 0.35 -1.54 -0.10 0.00 0.00 175.22 174.06 2kj6 s SER 34 N -2.38 6.19 0.00 1.36 1.04 -1.26 -0.54 113.70 118.11 2kj6 s SER 34 Ca 0.10 0.00 0.04 0.00 0.48 0.00 0.00 55.95 56.57 2kj6 s SER 34 Cb -0.06 -2.19 0.22 0.00 0.10 0.00 0.00 66.02 64.08 2kj6 s SER 34 CO 0.04 -0.24 0.94 -0.81 0.98 0.00 0.00 173.24 174.15 2kj6 n PRO 35 N 5.33 0.07 0.28 4.02 -0.04 -1.26 -0.87 135.00 142.52 2kj6 n PRO 35 Ca -0.09 0.22 0.18 0.00 -0.04 0.00 0.00 63.50 63.76 2kj6 n PRO 35 Cb 0.50 -1.50 0.74 0.00 -0.04 0.00 0.00 33.50 33.20 2kj6 n PRO 35 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2kj6 h GLN 36 N 0.00 0.00 -6.13 0.54 1.08 -1.93 0.36 115.11 109.02 2kj6 h GLN 36 Ca 0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 2kj6 h GLN 36 Cb 0.04 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.42 2kj6 h GLN 36 CO 0.00 0.00 -0.02 1.41 -0.95 0.00 0.00 178.83 179.27 2kj6 s MET 37 N -3.71 4.28 0.24 1.46 1.75 -0.05 -4.76 119.30 118.52 2kj6 s MET 37 Ca 0.01 0.74 -0.30 0.00 -1.25 0.00 0.00 55.69 54.89 2kj6 s MET 37 Cb 0.09 -3.31 -0.09 0.00 2.84 0.00 0.00 34.83 34.37 2kj6 s MET 37 CO 0.52 0.46 0.95 -1.12 -0.65 0.00 0.00 175.02 175.18 2kj6 s SER 38 N -0.50 7.62 0.52 1.11 0.01 -1.26 -4.42 113.70 116.78 2kj6 s SER 38 Ca 0.30 1.97 0.23 0.00 1.31 0.00 0.00 55.95 59.76 2kj6 s SER 38 Cb -0.19 -2.61 1.40 0.00 0.21 0.00 0.00 66.02 64.83 2kj6 s SER 38 CO 0.18 0.14 2.11 0.58 0.41 0.00 0.00 173.24 176.66 2kj6 h VAL 39 N 3.15 0.78 -0.31 3.43 2.07 -1.45 -1.20 116.25 122.72 2kj6 h VAL 39 Ca -0.45 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 66.75 2kj6 h VAL 39 Cb 1.20 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2kj6 h VAL 39 CO 0.68 0.09 0.21 -0.08 0.02 0.00 0.00 177.57 178.48 2kj6 h GLU 40 N 0.00 0.31 -0.20 1.57 4.57 -1.72 -1.42 114.58 117.69 2kj6 h GLU 40 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2kj6 h GLU 40 Cb 0.19 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2kj6 h GLU 40 CO 0.01 0.21 0.00 0.00 -1.18 0.00 0.00 179.01 178.05 2kj6 n ALA 41 N -2.51 2.50 -0.08 2.92 0.00 -0.45 -3.89 120.51 118.99 2kj6 n ALA 41 Ca 0.02 -0.63 -0.10 0.00 0.00 0.00 0.00 53.44 52.73 2kj6 n ALA 41 Cb 0.14 -1.03 -0.15 0.00 0.00 0.00 0.00 19.45 18.41 2kj6 n ALA 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2kj6 n VAL 42 N 0.62 1.45 0.24 0.00 0.31 -0.54 -4.33 118.33 116.08 2kj6 n VAL 42 Ca 0.17 -0.83 -0.16 0.00 -0.01 0.00 0.00 64.34 63.51 2kj6 n VAL 42 Cb 0.40 -0.67 -0.08 0.00 -0.91 0.00 0.00 33.84 32.59 2kj6 n VAL 42 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2kj6 h LYS 43 N 0.00 -0.75 -0.72 5.55 1.57 -1.66 -1.09 116.57 119.48 2kj6 h LYS 43 Ca -0.49 0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.30 2kj6 h LYS 43 Cb 2.17 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 34.62 2kj6 h LYS 43 CO 0.04 -0.50 0.28 1.49 -0.57 0.00 0.00 179.45 180.18 2kj6 h GLU 44 N -0.77 1.07 -0.65 3.15 4.81 -1.81 -1.68 114.58 118.69 2kj6 h GLU 44 Ca -0.03 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 2kj6 h GLU 44 Cb 0.69 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 2kj6 h GLU 44 CO -0.06 0.87 0.37 -0.22 -0.73 0.00 0.00 179.01 179.24 2kj6 h LYS 45 N 1.04 0.90 -0.56 1.92 3.64 -1.67 0.17 116.57 122.01 2kj6 h LYS 45 Ca 0.24 -0.10 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 2kj6 h LYS 45 Cb 0.21 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2kj6 h LYS 45 CO -0.02 0.67 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.74 2kj6 h LEU 46 N 0.89 0.99 -0.32 5.20 3.38 -0.92 -1.16 115.31 123.37 2kj6 h LEU 46 Ca 0.23 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 2kj6 h LEU 46 Cb 0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2kj6 h LEU 46 CO -0.04 1.07 0.19 -0.25 0.09 0.00 0.00 178.44 179.50 2kj6 h TRP 47 N 0.89 0.43 0.00 1.13 7.01 -0.74 0.22 115.95 124.88 2kj6 h TRP 47 Ca 0.16 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.15 2kj6 h TRP 47 Cb 0.57 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.49 2kj6 h TRP 47 CO 0.04 0.32 0.00 1.63 -2.79 0.00 0.00 178.44 177.64 2kj6 n LYS 48 N -4.82 0.35 -0.10 2.65 5.02 0.55 -3.53 118.16 118.28 2kj6 n LYS 48 Ca -0.01 0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 2kj6 n LYS 48 Cb 0.06 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.46 2kj6 n LYS 48 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2kj6 n LYS 49 N -1.32 0.56 0.00 1.97 4.81 -0.45 -4.97 118.16 118.77 2kj6 n LYS 49 Ca 0.13 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 2kj6 n LYS 49 Cb 0.24 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 33.57 2kj6 n LYS 49 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kj6 s GLY 51 N -0.24 1.56 0.42 0.00 0.00 0.64 -4.97 107.32 104.74 2kj6 s GLY 51 Ca 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 44.72 44.15 2kj6 s GLY 51 CO 0.00 0.16 0.58 -1.30 0.00 0.00 0.00 173.10 172.54 2kj6 n THR 52 N -4.43 0.00 -1.71 0.90 -2.24 -1.26 -4.51 114.28 101.02 2kj6 n THR 52 Ca 0.07 -0.80 -0.43 0.00 -2.27 0.00 0.00 64.05 60.62 2kj6 n THR 52 Cb 0.58 -1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 67.56 2kj6 n THR 52 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2kj6 n SER 53 N -3.05 3.45 -4.56 3.42 7.64 -1.26 -4.58 113.62 114.68 2kj6 n SER 53 Ca 0.09 1.13 -0.26 0.00 1.01 0.00 0.00 58.87 60.85 2kj6 n SER 53 Cb 0.32 -1.52 -0.05 0.00 -1.01 0.00 0.00 64.21 61.94 2kj6 n SER 53 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2kj6 s VAL 54 N 0.17 3.42 0.00 0.44 1.01 -1.26 -2.96 120.40 121.22 2kj6 s VAL 54 Ca 0.68 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2kj6 s VAL 54 Cb -0.56 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 31.84 2kj6 s VAL 54 CO 0.46 -0.86 0.00 -3.20 0.00 0.00 0.00 175.10 171.50 2kj6 n ASN 55 N 14.50 0.00 0.03 3.32 5.15 -1.26 -4.91 115.26 132.09 2kj6 n ASN 55 Ca 0.41 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.51 2kj6 n ASN 55 Cb 0.47 0.00 0.17 0.00 -0.53 0.00 0.00 39.78 39.89 2kj6 n ASN 55 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2kj6 n SER 56 N 0.00 0.61 -4.36 1.20 3.41 -1.16 -4.64 113.62 108.68 2kj6 n SER 56 Ca 0.00 -0.07 -0.45 0.00 -0.26 0.00 0.00 58.87 58.09 2kj6 n SER 56 Cb 0.00 0.30 -0.06 0.00 -0.26 0.00 0.00 64.21 64.20 2kj6 n SER 56 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2kj6 s MET 57 N -3.11 3.02 -0.01 4.33 -2.45 -1.15 -1.25 119.30 118.66 2kj6 s MET 57 Ca 0.07 -1.43 -0.03 0.00 -1.25 0.00 0.00 55.69 53.05 2kj6 s MET 57 Cb 0.15 -4.23 -0.04 0.00 1.25 0.00 0.00 34.83 31.96 2kj6 s MET 57 CO 0.73 -1.29 0.19 0.00 1.05 0.00 0.00 175.02 175.69 2kj6 s ALA 58 N 2.00 3.95 -0.54 4.11 0.00 0.13 -4.83 121.76 126.57 2kj6 s ALA 58 Ca 0.07 -0.75 -0.07 0.00 0.00 0.00 0.00 51.96 51.21 2kj6 s ALA 58 Cb -0.26 -1.90 0.14 0.00 0.00 0.00 0.00 23.12 21.10 2kj6 s ALA 58 CO 0.06 0.74 0.39 -0.51 0.00 0.00 0.00 175.76 176.44 2kj6 s LEU 59 N -1.90 5.60 -0.38 0.00 1.43 -1.26 -0.09 118.68 122.08 2kj6 s LEU 59 Ca 0.27 -2.29 -0.13 0.00 -1.03 0.00 0.00 54.13 50.95 2kj6 s LEU 59 Cb -0.13 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.16 2kj6 s LEU 59 CO 0.18 -0.56 0.24 -1.61 0.23 0.00 0.00 176.35 174.84 2kj6 s GLU 60 N 0.78 3.00 -0.47 1.70 0.41 -1.14 -4.96 118.70 118.01 2kj6 s GLU 60 Ca 0.11 -0.98 -0.27 0.00 -0.41 0.00 0.00 54.97 53.42 2kj6 s GLU 60 Cb -0.22 -3.82 0.03 0.00 -1.78 0.00 0.00 34.13 28.33 2kj6 s GLU 60 CO -0.03 -0.67 1.04 -1.17 -0.49 0.00 0.00 175.26 173.94 2kj6 s LEU 61 N 1.63 3.81 0.08 1.80 2.96 -1.26 -0.46 118.68 127.24 2kj6 s LEU 61 Ca 0.04 0.30 -0.19 0.00 -0.22 0.00 0.00 54.13 54.06 2kj6 s LEU 61 Cb -0.19 -3.38 -0.07 0.00 0.50 0.00 0.00 46.19 43.05 2kj6 s LEU 61 CO 0.08 -1.16 0.58 -0.31 -1.32 0.00 0.00 176.35 174.22 2kj6 s TYR 62 N 4.12 3.81 -1.30 5.38 2.02 -0.21 -0.81 117.35 130.36 2kj6 s TYR 62 Ca 0.43 1.28 -0.16 0.00 -0.37 0.00 0.00 57.07 58.25 2kj6 s TYR 62 Cb -0.09 -2.51 0.09 0.00 -0.40 0.00 0.00 41.96 39.06 2kj6 s TYR 62 CO 0.29 0.58 1.75 -3.47 -1.57 0.00 0.00 175.55 173.13 2kj6 n ASP 63 N 1.69 4.87 0.00 2.29 2.03 -0.91 -2.80 116.55 123.72 2kj6 n ASP 63 Ca -0.10 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.28 2kj6 n ASP 63 Cb 0.51 -1.70 0.00 0.00 -0.72 0.00 0.00 41.12 39.21 2kj6 n ASP 63 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kj6 n ASP 64 N 7.46 0.00 -3.44 1.67 2.03 -1.26 -4.38 116.55 118.63 2kj6 n ASP 64 Ca 0.47 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.79 2kj6 n ASP 64 Cb 0.44 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.80 2kj6 n ASP 64 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2kj6 s SER 65 N 0.00 -0.65 0.00 1.67 0.01 -1.26 -4.88 113.70 108.58 2kj6 s SER 65 Ca 0.00 0.90 0.00 0.00 1.31 0.00 0.00 55.95 58.16 2kj6 s SER 65 Cb 0.00 1.74 0.00 0.00 0.21 0.00 0.00 66.02 67.97 2kj6 s SER 65 CO 0.00 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2kj6 n GLY 66 N 5.03 -2.74 2.36 3.44 0.00 -1.26 -5.05 105.19 106.96 2kj6 n GLY 66 Ca -0.10 -1.21 -0.04 0.00 0.00 0.00 0.00 46.02 44.68 2kj6 n GLY 66 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kj6 n SER 67 N -1.06 -2.93 -4.75 1.61 7.64 -1.26 -4.21 113.62 108.66 2kj6 n SER 67 Ca 0.00 1.30 -0.38 0.00 1.01 0.00 0.00 58.87 60.80 2kj6 n SER 67 Cb 0.00 -4.68 -0.06 0.00 -1.01 0.00 0.00 64.21 58.46 2kj6 n SER 67 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2kj6 s LYS 68 N -0.75 4.27 0.00 1.43 -2.85 -1.26 -2.14 119.74 118.44 2kj6 s LYS 68 Ca -0.18 0.49 0.22 0.00 -1.00 0.00 0.00 55.97 55.50 2kj6 s LYS 68 Cb 0.01 -3.38 0.62 0.00 -2.06 0.00 0.00 37.83 33.02 2kj6 s LYS 68 CO 0.48 0.28 1.52 1.33 0.10 0.00 0.00 175.35 179.06 2kj6 n VAL 69 N 3.20 0.94 -2.73 1.79 0.24 0.01 -4.77 118.33 117.01 2kj6 n VAL 69 Ca -0.08 -0.94 -0.43 0.00 -2.04 0.00 0.00 64.34 60.85 2kj6 n VAL 69 Cb 0.52 0.47 -0.02 0.00 -1.47 0.00 0.00 33.84 33.34 2kj6 n VAL 69 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kj6 s ALA 70 N -1.06 3.19 -0.22 2.33 0.00 -1.16 -4.72 121.76 120.12 2kj6 s ALA 70 Ca 0.47 -2.68 0.21 0.00 0.00 0.00 0.00 51.96 49.96 2kj6 s ALA 70 Cb 0.24 -4.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.00 2kj6 s ALA 70 CO 0.32 -3.25 1.03 -0.24 0.00 0.00 0.00 175.76 173.61 2kj6 h VAL 71 N 6.01 0.13 -5.52 0.00 3.04 -1.94 -3.47 116.25 114.51 2kj6 h VAL 71 Ca 0.24 -1.25 -0.07 0.00 -1.01 0.00 0.00 66.70 64.61 2kj6 h VAL 71 Cb 0.97 1.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.92 2kj6 h VAL 71 CO 1.31 0.07 -0.67 0.18 -1.01 0.00 0.00 177.57 177.45 2kj6 n LEU 72 N -2.76 -6.93 0.00 3.16 7.99 -1.26 -4.99 117.00 112.21 2kj6 n LEU 72 Ca -0.02 0.48 0.00 0.00 -0.01 0.00 0.00 56.01 56.46 2kj6 n LEU 72 Cb 0.62 -3.06 0.00 0.00 -0.11 0.00 0.00 43.42 40.87 2kj6 n LEU 72 CO 0.40 -2.00 -0.04 -0.24 -1.51 0.00 0.00 177.39 174.00 2kj6 n SER 73 N -0.17 0.35 -1.75 -1.43 2.88 -1.26 -4.80 113.62 107.44 2kj6 n SER 73 Ca 0.07 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.53 2kj6 n SER 73 Cb 0.47 0.02 0.25 0.00 -0.75 0.00 0.00 64.21 64.19 2kj6 n SER 73 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kj6 n ASP 74 N -1.21 3.97 -0.28 -3.46 9.92 -1.26 -4.62 116.55 119.61 2kj6 n ASP 74 Ca 0.00 -3.41 -0.04 0.00 -0.53 0.00 0.00 54.79 50.81 2kj6 n ASP 74 Cb 0.04 -0.72 0.07 0.00 -0.64 0.00 0.00 41.12 39.87 2kj6 n ASP 74 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2kj6 h ASP 75 N 1.81 0.87 -0.50 -2.24 3.58 -1.99 -1.42 116.42 116.53 2kj6 h ASP 75 Ca 0.32 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.75 2kj6 h ASP 75 Cb 2.22 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 43.06 2kj6 h ASP 75 CO 0.70 0.63 0.00 -1.20 -2.88 0.00 0.00 179.24 176.48 2kj6 n SER 76 N -4.56 4.43 -4.72 2.28 7.64 -1.26 -1.37 113.62 116.06 2kj6 n SER 76 Ca 0.08 -2.56 -0.23 0.00 1.01 0.00 0.00 58.87 57.17 2kj6 n SER 76 Cb 0.02 -0.59 -0.06 0.00 -1.01 0.00 0.00 64.21 62.58 2kj6 n SER 76 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2kj6 s ARG 77 N -2.10 2.53 -0.42 1.43 1.81 -0.53 -4.97 118.95 116.70 2kj6 s ARG 77 Ca 0.43 -1.29 -0.28 0.00 -1.72 0.00 0.00 55.73 52.88 2kj6 s ARG 77 Cb 0.30 -2.31 -0.02 0.00 -0.45 0.00 0.00 34.95 32.47 2kj6 s ARG 77 CO 0.17 0.37 1.80 -2.14 -0.68 0.00 0.00 175.30 174.81 2kj6 s PRO 78 N -3.74 3.13 0.42 3.54 0.02 -1.26 -4.44 135.00 132.66 2kj6 s PRO 78 Ca 0.32 1.16 0.10 0.00 0.02 0.00 0.00 61.00 62.60 2kj6 s PRO 78 Cb -0.07 -4.25 0.91 0.00 0.02 0.00 0.00 34.50 31.11 2kj6 s PRO 78 CO 0.22 -2.11 2.02 1.25 -0.33 0.00 0.00 177.00 178.05 2kj6 h LEU 79 N 14.47 0.29 -1.07 -5.54 7.12 -1.55 -0.76 115.31 128.27 2kj6 h LEU 79 Ca -0.31 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.68 2kj6 h LEU 79 Cb 1.16 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 41.22 2kj6 h LEU 79 CO 1.09 0.30 0.00 0.61 -0.13 0.00 0.00 178.44 180.31 2kj6 n GLY 80 N -1.25 -1.11 0.09 3.75 0.00 0.12 -1.13 105.19 105.67 2kj6 n GLY 80 Ca 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 2kj6 n GLY 80 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2kj6 h PHE 81 N 0.00 0.17 0.00 1.61 3.57 -1.40 -3.40 116.94 117.50 2kj6 h PHE 81 Ca 0.00 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.38 2kj6 h PHE 81 Cb 0.21 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2kj6 h PHE 81 CO 0.00 1.04 0.00 0.34 -2.23 0.00 0.00 178.31 177.46 2kj6 n PHE 82 N -3.48 0.00 -3.64 0.41 7.35 -0.28 -5.01 117.46 112.81 2kj6 n PHE 82 Ca -0.03 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.61 2kj6 n PHE 82 Cb 0.91 -0.28 -0.07 0.00 0.35 0.00 0.00 39.48 40.40 2kj6 n PHE 82 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2kj6 s SER 83 N -2.10 -0.84 -0.10 -2.13 0.01 -0.98 -5.14 113.70 102.42 2kj6 s SER 83 Ca 0.00 1.34 -0.26 0.00 1.31 0.00 0.00 55.95 58.34 2kj6 s SER 83 Cb 0.00 1.36 -0.02 0.00 0.21 0.00 0.00 66.02 67.57 2kj6 s SER 83 CO 0.00 -0.21 0.84 -2.16 0.41 0.00 0.00 173.24 172.12 2kj6 s PRO 84 N 1.59 4.40 0.12 12.44 0.04 -1.26 -4.73 135.00 147.59 2kj6 s PRO 84 Ca -0.10 1.10 -0.08 0.00 0.04 0.00 0.00 61.00 61.96 2kj6 s PRO 84 Cb -0.05 -3.52 -0.01 0.00 0.04 0.00 0.00 34.50 30.97 2kj6 s PRO 84 CO -0.19 -0.17 0.21 -0.59 0.04 0.00 0.00 177.00 176.31 2kj6 s PHE 85 N 1.56 0.28 0.00 0.56 -0.12 -1.26 -5.11 117.98 113.88 2kj6 s PHE 85 Ca 0.42 -0.68 -0.02 0.00 -0.05 0.00 0.00 56.93 56.59 2kj6 s PHE 85 Cb -0.18 -0.08 -0.01 0.00 -0.63 0.00 0.00 43.02 42.12 2kj6 s PHE 85 CO 0.17 -0.60 0.04 0.16 -0.05 0.00 0.00 175.22 174.94 2kj6 s ASP 86 N -2.91 0.09 0.00 1.98 -4.77 -1.26 -3.95 116.67 105.85 2kj6 s ASP 86 Ca 0.10 -0.22 0.00 0.00 -3.30 0.00 0.00 52.55 49.13 2kj6 s ASP 86 Cb 0.04 0.13 0.00 0.00 -1.09 0.00 0.00 42.92 42.01 2kj6 s ASP 86 CO -0.07 -0.22 0.00 0.61 0.70 0.00 0.00 175.17 176.19 2kj6 n GLY 87 N 2.05 1.21 3.76 2.12 0.00 -1.19 -4.97 105.19 108.17 2kj6 n GLY 87 Ca -0.20 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 2kj6 n GLY 87 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kj6 s PHE 88 N -0.56 2.64 -0.12 1.61 0.40 -1.26 -4.65 117.98 116.03 2kj6 s PHE 88 Ca 0.00 1.48 0.03 0.00 -0.60 0.00 0.00 56.93 57.84 2kj6 s PHE 88 Cb 0.00 -3.52 0.00 0.00 0.51 0.00 0.00 43.02 40.02 2kj6 s PHE 88 CO 0.00 -2.01 -0.22 1.03 0.70 0.00 0.00 175.22 174.72 2kj6 s ARG 89 N -2.85 3.06 -0.50 0.44 0.52 -1.12 -2.90 118.95 115.60 2kj6 s ARG 89 Ca 0.68 -0.85 -0.27 0.00 -0.52 0.00 0.00 55.73 54.76 2kj6 s ARG 89 Cb -0.32 -2.39 0.03 0.00 0.52 0.00 0.00 34.95 32.79 2kj6 s ARG 89 CO 0.38 0.09 1.07 -0.51 0.02 0.00 0.00 175.30 176.35 2kj6 s LEU 90 N 0.57 3.74 -0.72 2.53 1.43 0.53 -1.04 118.68 125.72 2kj6 s LEU 90 Ca -0.13 0.22 -0.19 0.00 -1.03 0.00 0.00 54.13 53.00 2kj6 s LEU 90 Cb -0.17 -3.31 0.11 0.00 0.03 0.00 0.00 46.19 42.86 2kj6 s LEU 90 CO 0.04 -1.24 0.89 -2.28 0.23 0.00 0.00 176.35 173.98 2kj6 s HIS 91 N 4.32 3.02 -0.29 0.29 2.46 0.39 -0.68 115.29 124.81 2kj6 s HIS 91 Ca 0.42 -1.07 -0.29 0.00 0.47 0.00 0.00 55.06 54.59 2kj6 s HIS 91 Cb -0.08 -4.14 -0.02 0.00 -0.13 0.00 0.00 32.58 28.21 2kj6 s HIS 91 CO 0.28 -1.41 1.72 0.42 -2.47 0.00 0.00 174.74 173.28 2kj6 s ILE 92 N 2.79 3.56 -1.19 0.89 1.01 0.02 -2.90 121.20 125.39 2kj6 s ILE 92 Ca 0.20 0.60 -0.12 0.00 0.00 0.00 0.00 60.65 61.34 2kj6 s ILE 92 Cb -0.16 -3.68 0.21 0.00 0.01 0.00 0.00 42.46 38.84 2kj6 s ILE 92 CO 0.01 -0.38 1.39 -0.38 0.00 0.00 0.00 174.94 175.58 2kj6 n ILE 93 N 7.03 4.40 -2.95 2.92 2.08 0.88 -2.42 119.36 131.29 2kj6 n ILE 93 Ca 0.21 -4.94 -0.44 0.00 0.56 0.00 0.00 62.75 58.14 2kj6 n ILE 93 Cb 0.46 -2.48 -0.04 0.00 -0.75 0.00 0.00 39.64 36.83 2kj6 n ILE 93 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 2kj6 s ASP 94 N 2.04 6.19 -0.25 4.38 -4.77 -1.26 -0.69 116.67 122.31 2kj6 s ASP 94 Ca 0.39 -1.18 0.14 0.00 -3.30 0.00 0.00 52.55 48.59 2kj6 s ASP 94 Cb -0.04 -2.37 0.71 0.00 -1.09 0.00 0.00 42.92 40.13 2kj6 s ASP 94 CO -0.02 -1.31 1.66 0.18 0.70 0.00 0.00 175.17 176.39 2kj6 n LEU 95 N 7.17 5.26 -4.69 2.11 4.77 -0.38 -4.95 117.00 126.28 2kj6 n LEU 95 Ca -0.05 -3.07 -0.43 0.00 -0.03 0.00 0.00 56.01 52.42 2kj6 n LEU 95 Cb 0.44 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.85 2kj6 n LEU 95 CO 0.62 0.72 1.00 0.47 -1.33 0.00 0.00 177.39 178.86 2kj6 n ASP 96 N 0.02 2.91 0.00 -1.43 9.92 -1.26 -5.04 116.55 121.67 2kj6 n ASP 96 Ca 0.30 1.17 0.00 0.00 -0.53 0.00 0.00 54.79 55.73 2kj6 n ASP 96 Cb 1.16 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.17 2kj6 n ASP 96 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68