#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 2.48 2.59 3.03 0.00 -1.26 -5.05 105.19 106.98 2kj6 n GLY 2 Ca 0.00 -1.84 -0.27 0.00 0.00 0.00 0.00 46.02 43.92 2kj6 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kj6 s HIS 3 N -2.54 0.19 -1.33 1.61 4.02 -1.26 -5.03 115.29 110.97 2kj6 s HIS 3 Ca 0.00 -0.52 -0.09 0.00 1.02 0.00 0.00 55.06 55.47 2kj6 s HIS 3 Cb 0.00 -0.75 0.13 0.00 -1.02 0.00 0.00 32.58 30.94 2kj6 s HIS 3 CO 0.00 -0.67 2.09 -2.39 1.02 0.00 0.00 174.74 174.79 2kj6 n HIS 4 N 5.27 2.87 1.06 1.40 -0.00 -1.26 -4.61 115.22 119.95 2kj6 n HIS 4 Ca -0.06 -2.83 0.12 0.00 -0.00 0.00 0.00 57.72 54.95 2kj6 n HIS 4 Cb 0.46 -2.01 0.29 0.00 -0.00 0.00 0.00 29.99 28.73 2kj6 n HIS 4 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kj6 n HIS 5 N 3.56 0.13 -3.22 -1.40 -0.00 -1.26 -4.89 115.22 108.14 2kj6 n HIS 5 Ca 0.48 -0.06 -0.38 0.00 -0.00 0.00 0.00 57.72 57.75 2kj6 n HIS 5 Cb 0.33 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.27 2kj6 n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kj6 s HIS 6 N -1.87 3.53 -0.03 1.57 2.46 -1.26 -5.06 115.29 114.64 2kj6 s HIS 6 Ca 0.34 1.01 -0.04 0.00 0.47 0.00 0.00 55.06 56.84 2kj6 s HIS 6 Cb 0.20 -2.64 0.01 0.00 -0.13 0.00 0.00 32.58 30.02 2kj6 s HIS 6 CO 0.31 0.14 0.09 -1.58 -2.47 0.00 0.00 174.74 171.23 2kj6 s HIS 7 N 0.69 -0.05 0.00 3.88 5.65 -1.26 -5.12 115.29 119.09 2kj6 s HIS 7 Ca 0.30 0.13 0.00 0.00 0.25 0.00 0.00 55.06 55.74 2kj6 s HIS 7 Cb -0.16 0.00 0.00 0.00 -1.18 0.00 0.00 32.58 31.24 2kj6 s HIS 7 CO 0.13 -0.10 0.00 0.72 -0.65 0.00 0.00 174.74 174.84 2kj6 n HIS 8 N 2.66 0.00 -0.54 3.88 -0.00 -1.26 -5.09 115.22 114.86 2kj6 n HIS 8 Ca -0.15 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.64 2kj6 n HIS 8 Cb 0.58 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.99 30.49 2kj6 n HIS 8 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kj6 n SER 9 N -0.73 -3.05 -4.44 0.41 7.64 -1.26 -5.05 113.62 107.13 2kj6 n SER 9 Ca 0.00 0.49 -0.24 0.00 1.01 0.00 0.00 58.87 60.14 2kj6 n SER 9 Cb 0.00 -1.82 -0.10 0.00 -1.01 0.00 0.00 64.21 61.28 2kj6 n SER 9 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2kj6 s HIS 10 N -3.12 2.01 0.00 1.43 0.09 -1.26 -5.13 115.29 109.31 2kj6 s HIS 10 Ca 0.00 -0.96 0.00 0.00 -0.00 0.00 0.00 55.06 54.10 2kj6 s HIS 10 Cb 0.00 -1.35 0.00 0.00 -0.00 0.00 0.00 32.58 31.23 2kj6 s HIS 10 CO 0.00 0.04 0.00 0.41 -0.00 0.00 0.00 174.74 175.19 2kj6 n GLY 11 N -0.79 4.11 3.28 -2.22 0.00 -1.26 -4.98 105.19 103.33 2kj6 n GLY 11 Ca -0.04 -1.11 -0.44 0.00 0.00 0.00 0.00 46.02 44.44 2kj6 n GLY 11 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kj6 n ASP 12 N 0.00 5.34 -1.06 1.61 2.03 -1.26 -4.45 116.55 118.76 2kj6 n ASP 12 Ca 0.00 -3.05 -0.05 0.00 0.52 0.00 0.00 54.79 52.21 2kj6 n ASP 12 Cb 0.00 -1.50 -0.05 0.00 -0.72 0.00 0.00 41.12 38.85 2kj6 n ASP 12 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2kj6 n ASP 13 N 4.42 -0.59 -3.72 1.67 5.75 -1.26 -5.10 116.55 117.72 2kj6 n ASP 13 Ca 0.35 -1.95 -0.22 0.00 -0.01 0.00 0.00 54.79 52.96 2kj6 n ASP 13 Cb 0.40 0.17 -0.18 0.00 -1.03 0.00 0.00 41.12 40.49 2kj6 n ASP 13 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2kj6 s SER 14 N -1.13 1.44 -0.18 -1.12 1.04 -1.26 -4.66 113.70 107.83 2kj6 s SER 14 Ca 0.06 -0.04 -0.26 0.00 0.48 0.00 0.00 55.95 56.19 2kj6 s SER 14 Cb 0.07 -0.31 -0.01 0.00 0.10 0.00 0.00 66.02 65.87 2kj6 s SER 14 CO -0.03 -0.23 0.87 0.68 0.98 0.00 0.00 173.24 175.51 2kj6 s VAL 15 N 2.06 4.85 -0.79 5.02 -7.23 0.59 -4.85 120.40 120.05 2kj6 s VAL 15 Ca 0.05 1.70 -0.20 0.00 -1.81 0.00 0.00 61.98 61.71 2kj6 s VAL 15 Cb -0.12 -4.17 0.10 0.00 0.56 0.00 0.00 36.38 32.75 2kj6 s VAL 15 CO -0.04 -0.00 1.02 -2.28 -0.31 0.00 0.00 175.10 173.48 2kj6 s HIS 16 N 2.30 2.93 -0.24 2.82 2.46 -1.26 -1.55 115.29 122.76 2kj6 s HIS 16 Ca 0.39 -1.02 -0.09 0.00 0.47 0.00 0.00 55.06 54.81 2kj6 s HIS 16 Cb -0.16 -4.26 -0.04 0.00 -0.13 0.00 0.00 32.58 27.98 2kj6 s HIS 16 CO 0.12 -1.53 0.13 -0.51 -2.47 0.00 0.00 174.74 170.47 2kj6 s LEU 17 N 3.23 3.89 -0.45 8.88 1.43 -0.79 -3.59 118.68 131.28 2kj6 s LEU 17 Ca 0.26 0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 53.21 2kj6 s LEU 17 Cb -0.11 -2.04 0.05 0.00 0.03 0.00 0.00 46.19 44.11 2kj6 s LEU 17 CO -0.00 0.03 0.42 -1.00 0.23 0.00 0.00 176.35 176.03 2kj6 s HIS 18 N 1.23 3.20 0.08 0.29 3.76 0.82 -2.10 115.29 122.57 2kj6 s HIS 18 Ca 0.06 -0.67 -0.29 0.00 -0.15 0.00 0.00 55.06 54.02 2kj6 s HIS 18 Cb -0.14 -3.03 -0.05 0.00 1.11 0.00 0.00 32.58 30.46 2kj6 s HIS 18 CO 0.05 -0.77 0.92 0.42 -0.85 0.00 0.00 174.74 174.51 2kj6 s ILE 19 N 1.91 4.61 -0.03 0.60 1.01 0.92 0.35 121.20 130.57 2kj6 s ILE 19 Ca 0.08 1.96 -0.04 0.00 0.00 0.00 0.00 60.65 62.65 2kj6 s ILE 19 Cb -0.21 -4.27 0.01 0.00 0.01 0.00 0.00 42.46 38.00 2kj6 s ILE 19 CO 0.10 0.31 0.10 -0.89 0.00 0.00 0.00 174.94 174.55 2kj6 s THR 20 N 0.13 0.02 0.51 2.92 2.01 0.37 -3.11 115.64 118.50 2kj6 s THR 20 Ca 0.46 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.28 2kj6 s THR 20 Cb -0.22 -0.20 0.02 0.00 0.01 0.00 0.00 72.50 72.10 2kj6 s THR 20 CO 0.28 -0.10 0.73 -2.28 -0.69 0.00 0.00 174.62 172.55 2kj6 s HIS 21 N -0.30 2.95 -0.06 4.92 2.46 -1.12 -0.93 115.29 123.21 2kj6 s HIS 21 Ca -0.04 0.01 -0.16 0.00 0.47 0.00 0.00 55.06 55.34 2kj6 s HIS 21 Cb -0.03 -2.60 -0.11 0.00 -0.13 0.00 0.00 32.58 29.71 2kj6 s HIS 21 CO 0.00 -0.69 0.65 0.00 -2.47 0.00 0.00 174.74 172.23 2kj6 h ALA 22 N 0.22 -0.29 -0.13 1.58 0.00 -1.80 -3.35 119.26 115.49 2kj6 h ALA 22 Ca -0.43 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 2kj6 h ALA 22 Cb 1.28 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2kj6 h ALA 22 CO 0.53 -0.31 -0.30 -0.97 0.00 0.00 0.00 179.25 178.20 2kj6 h ASN 23 N -0.99 0.49 -0.94 0.00 -0.73 -1.92 -3.32 115.58 108.16 2kj6 h ASN 23 Ca -0.03 -0.57 -0.67 0.00 1.87 0.00 0.00 56.30 56.90 2kj6 h ASN 23 Cb 0.43 -0.14 -0.09 0.00 0.27 0.00 0.00 38.32 38.79 2kj6 h ASN 23 CO 0.05 0.97 2.06 -0.76 -0.37 0.00 0.00 177.43 179.38 2kj6 s LEU 24 N -8.84 3.82 0.23 0.34 1.43 -1.26 -4.74 118.68 109.66 2kj6 s LEU 24 Ca -0.14 -2.29 0.10 0.00 -1.03 0.00 0.00 54.13 50.78 2kj6 s LEU 24 Cb 0.05 -2.57 0.20 0.00 0.03 0.00 0.00 46.19 43.90 2kj6 s LEU 24 CO 0.79 -1.22 1.52 0.50 0.23 0.00 0.00 176.35 178.17 2kj6 h LYS 25 N 7.95 0.00 -2.38 1.70 3.64 -1.69 -2.96 116.57 122.83 2kj6 h LYS 25 Ca 0.40 0.00 -0.80 0.00 -1.27 0.00 0.00 60.65 58.99 2kj6 h LYS 25 Cb 0.89 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 32.47 2kj6 h LYS 25 CO 1.45 0.71 1.31 0.45 -2.27 0.00 0.00 179.45 181.10 2kj6 n SER 26 N -3.63 7.41 -4.22 4.20 2.88 -1.26 -4.86 113.62 114.14 2kj6 n SER 26 Ca -0.01 -3.56 -0.42 0.00 -1.33 0.00 0.00 58.87 53.56 2kj6 n SER 26 Cb 0.71 -1.22 -0.07 0.00 -0.75 0.00 0.00 64.21 62.88 2kj6 n SER 26 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2kj6 s PHE 27 N -3.56 3.51 -1.22 0.66 5.36 -1.19 -5.00 117.98 116.54 2kj6 s PHE 27 Ca 0.41 -2.12 -0.18 0.00 -0.96 0.00 0.00 56.93 54.09 2kj6 s PHE 27 Cb 0.18 -3.53 0.09 0.00 -0.34 0.00 0.00 43.02 39.43 2kj6 s PHE 27 CO -0.11 -0.95 1.59 -1.12 -1.46 0.00 0.00 175.22 173.18 2kj6 s SER 28 N 2.01 6.83 -0.46 6.13 0.01 -1.26 -4.38 113.70 122.58 2kj6 s SER 28 Ca 0.12 -2.41 -0.03 0.00 1.31 0.00 0.00 55.95 54.95 2kj6 s SER 28 Cb -0.20 -2.53 0.12 0.00 0.21 0.00 0.00 66.02 63.62 2kj6 s SER 28 CO -0.04 -1.12 0.26 0.00 0.41 0.00 0.00 173.24 172.75 2kj6 s ALA 29 N 3.65 3.25 -0.23 1.44 0.00 -1.18 -5.05 121.76 123.64 2kj6 s ALA 29 Ca 0.49 -2.72 -0.09 0.00 0.00 0.00 0.00 51.96 49.64 2kj6 s ALA 29 Cb 0.01 -2.46 -0.05 0.00 0.00 0.00 0.00 23.12 20.63 2kj6 s ALA 29 CO 0.03 -1.87 0.13 0.34 0.00 0.00 0.00 175.76 174.38 2kj6 s ASP 30 N 1.52 5.87 0.18 0.00 2.15 -1.26 -0.06 116.67 125.07 2kj6 s ASP 30 Ca 0.10 0.05 -0.01 0.00 0.43 0.00 0.00 52.55 53.13 2kj6 s ASP 30 Cb -0.22 -2.05 -0.04 0.00 -0.30 0.00 0.00 42.92 40.31 2kj6 s ASP 30 CO -0.04 0.07 0.10 0.00 -0.17 0.00 0.00 175.17 175.13 2kj6 s ALA 31 N 1.03 1.10 -0.04 3.66 0.00 -0.89 -5.00 121.76 121.62 2kj6 s ALA 31 Ca 0.06 -1.63 0.01 0.00 0.00 0.00 0.00 51.96 50.40 2kj6 s ALA 31 Cb -0.14 1.20 0.02 0.00 0.00 0.00 0.00 23.12 24.21 2kj6 s ALA 31 CO 0.04 -0.55 -0.06 -0.98 0.00 0.00 0.00 175.76 174.21 2kj6 s ARG 32 N -4.12 0.94 0.03 0.00 1.70 -1.26 -1.88 118.95 114.36 2kj6 s ARG 32 Ca 0.34 -0.17 0.00 0.00 -0.47 0.00 0.00 55.73 55.44 2kj6 s ARG 32 Cb 0.07 -0.90 -0.00 0.00 -0.57 0.00 0.00 34.95 33.55 2kj6 s ARG 32 CO 0.09 -0.04 0.01 1.19 -1.08 0.00 0.00 175.30 175.47 2kj6 n PHE 33 N 3.89 0.02 -4.01 5.89 3.72 -0.59 -4.88 117.46 121.50 2kj6 n PHE 33 Ca -0.24 -0.16 -0.31 0.00 -0.05 0.00 0.00 57.45 56.68 2kj6 n PHE 33 Cb 0.51 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.99 2kj6 n PHE 33 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2kj6 s SER 34 N -1.16 5.87 0.00 4.37 1.04 -1.26 -0.30 113.70 122.26 2kj6 s SER 34 Ca 0.01 0.14 0.13 0.00 0.48 0.00 0.00 55.95 56.71 2kj6 s SER 34 Cb 0.00 -1.70 0.78 0.00 0.10 0.00 0.00 66.02 65.20 2kj6 s SER 34 CO 0.01 0.21 1.22 -2.65 0.98 0.00 0.00 173.24 173.00 2kj6 n PRO 35 N 0.64 0.54 0.06 4.02 -0.02 -1.26 -2.09 135.00 136.88 2kj6 n PRO 35 Ca -0.09 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.52 2kj6 n PRO 35 Cb 0.52 -1.38 0.30 0.00 -0.02 0.00 0.00 33.50 32.92 2kj6 n PRO 35 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2kj6 n GLN 36 N -0.88 0.20 -3.12 -0.52 6.02 -1.26 -0.95 117.38 116.87 2kj6 n GLN 36 Ca 0.10 0.10 -0.41 0.00 -0.01 0.00 0.00 57.00 56.77 2kj6 n GLN 36 Cb 0.05 -1.67 -0.07 0.00 1.02 0.00 0.00 30.24 29.57 2kj6 n GLN 36 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2kj6 s MET 37 N -3.10 3.75 0.59 -1.09 1.75 -0.89 -4.80 119.30 115.50 2kj6 s MET 37 Ca 0.09 0.11 0.04 0.00 -1.25 0.00 0.00 55.69 54.69 2kj6 s MET 37 Cb 0.14 -3.78 0.08 0.00 2.84 0.00 0.00 34.83 34.11 2kj6 s MET 37 CO 0.66 -0.68 0.81 -1.54 -0.65 0.00 0.00 175.02 173.63 2kj6 s SER 38 N 1.74 5.00 0.20 1.11 1.04 -1.26 -4.71 113.70 116.82 2kj6 s SER 38 Ca 0.24 -0.46 -0.07 0.00 0.48 0.00 0.00 55.95 56.14 2kj6 s SER 38 Cb -0.15 -0.20 0.14 0.00 0.10 0.00 0.00 66.02 65.92 2kj6 s SER 38 CO 0.14 -1.36 1.67 0.58 0.98 0.00 0.00 173.24 175.24 2kj6 h VAL 39 N 0.02 1.26 -0.26 5.02 2.07 -1.41 -2.42 116.25 120.52 2kj6 h VAL 39 Ca -0.36 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 2kj6 h VAL 39 Cb 1.28 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2kj6 h VAL 39 CO 0.44 0.41 0.06 -0.08 0.02 0.00 0.00 177.57 178.41 2kj6 h GLU 40 N 0.91 0.38 -0.18 1.57 4.57 -0.83 -0.82 114.58 120.17 2kj6 h GLU 40 Ca 0.16 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.26 2kj6 h GLU 40 Cb 0.55 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 2kj6 h GLU 40 CO 0.03 0.36 -0.00 0.00 -1.18 0.00 0.00 179.01 178.22 2kj6 h ALA 41 N 1.69 0.25 -0.02 2.92 0.00 -1.69 -2.42 119.26 119.99 2kj6 h ALA 41 Ca 0.09 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2kj6 h ALA 41 Cb 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2kj6 h ALA 41 CO -0.00 -0.03 -0.59 -0.24 0.00 0.00 0.00 179.25 178.38 2kj6 h VAL 42 N 0.08 1.41 -0.45 0.00 3.04 -1.19 -2.90 116.25 116.24 2kj6 h VAL 42 Ca 0.05 -2.00 0.04 0.00 -1.01 0.00 0.00 66.70 63.78 2kj6 h VAL 42 Cb 0.40 2.06 -0.04 0.00 -2.01 0.00 0.00 31.29 31.69 2kj6 h VAL 42 CO 0.01 0.58 0.21 0.11 -1.01 0.00 0.00 177.57 177.47 2kj6 h LYS 43 N 0.06 0.42 -0.88 4.17 1.57 -1.04 -0.54 116.57 120.33 2kj6 h LYS 43 Ca -0.01 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2kj6 h LYS 43 Cb 1.06 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.23 2kj6 h LYS 43 CO 0.08 0.28 0.58 1.49 -0.57 0.00 0.00 179.45 181.30 2kj6 h GLU 44 N 0.43 1.12 -0.07 3.15 4.81 -1.24 -0.35 114.58 122.43 2kj6 h GLU 44 Ca 0.20 -0.07 -0.20 0.00 -0.13 0.00 0.00 59.36 59.16 2kj6 h GLU 44 Cb 0.12 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.25 2kj6 h GLU 44 CO -0.15 0.74 -0.77 -0.22 -0.73 0.00 0.00 179.01 177.88 2kj6 h LYS 45 N 1.15 0.45 -0.28 1.92 3.64 -1.30 -2.16 116.57 119.98 2kj6 h LYS 45 Ca 0.34 -0.38 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 2kj6 h LYS 45 Cb -0.07 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2kj6 h LYS 45 CO -0.09 1.03 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.79 2kj6 h LEU 46 N 0.29 0.56 -1.30 5.20 3.38 -0.84 0.40 115.31 122.99 2kj6 h LEU 46 Ca -0.04 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2kj6 h LEU 46 Cb 1.37 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2kj6 h LEU 46 CO 0.14 0.80 0.00 -0.25 0.09 0.00 0.00 178.44 179.22 2kj6 h TRP 47 N 0.49 0.00 0.02 1.13 7.01 -0.80 -2.37 115.95 121.42 2kj6 h TRP 47 Ca 0.07 0.00 -0.38 0.00 2.11 0.00 0.00 58.89 60.69 2kj6 h TRP 47 Cb 0.70 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 27.70 2kj6 h TRP 47 CO 0.03 0.00 -2.34 1.63 -2.79 0.00 0.00 178.44 174.96 2kj6 n LYS 48 N -2.67 0.67 0.14 2.65 5.02 -0.66 -2.73 118.16 120.59 2kj6 n LYS 48 Ca 0.01 0.14 -0.14 0.00 -2.02 0.00 0.00 58.31 56.30 2kj6 n LYS 48 Cb 0.23 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 33.59 2kj6 n LYS 48 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2kj6 h LYS 49 N 0.01 -0.32 0.00 1.97 3.64 -0.06 -3.36 116.57 118.45 2kj6 h LYS 49 Ca -0.53 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2kj6 h LYS 49 Cb 2.00 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.89 2kj6 h LYS 49 CO -0.03 -0.09 0.00 0.00 -2.27 0.00 0.00 179.45 177.06 2kj6 n GLY 51 N 0.25 0.09 3.61 0.00 0.00 -1.10 -4.95 105.19 103.09 2kj6 n GLY 51 Ca 0.00 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 2kj6 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kj6 s THR 52 N -2.46 3.96 -0.02 2.61 2.01 -1.15 -4.90 115.64 115.68 2kj6 s THR 52 Ca 0.00 1.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.73 2kj6 s THR 52 Cb 0.00 -4.13 -0.07 0.00 0.01 0.00 0.00 72.50 68.32 2kj6 s THR 52 CO 0.00 -0.61 1.79 -0.44 -0.69 0.00 0.00 174.62 174.67 2kj6 s SER 53 N 3.62 6.56 0.00 3.53 0.01 -1.26 -4.11 113.70 122.05 2kj6 s SER 53 Ca 0.61 2.39 0.17 0.00 1.31 0.00 0.00 55.95 60.43 2kj6 s SER 53 Cb -0.16 -2.53 0.84 0.00 0.21 0.00 0.00 66.02 64.38 2kj6 s SER 53 CO 0.29 -1.00 1.50 1.33 0.41 0.00 0.00 173.24 175.77 2kj6 n VAL 54 N 5.56 0.54 -0.01 3.43 0.24 -1.26 -1.93 118.33 124.90 2kj6 n VAL 54 Ca 0.19 0.13 -0.05 0.00 -2.04 0.00 0.00 64.34 62.57 2kj6 n VAL 54 Cb 0.42 -0.85 0.15 0.00 -1.47 0.00 0.00 33.84 32.09 2kj6 n VAL 54 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 2kj6 h ASN 55 N 0.00 0.58 -0.60 -1.34 -1.24 -2.03 -3.05 115.58 107.90 2kj6 h ASN 55 Ca 0.00 -0.22 -0.08 0.00 0.71 0.00 0.00 56.30 56.71 2kj6 h ASN 55 Cb 0.17 -0.16 -0.05 0.00 0.73 0.00 0.00 38.32 39.02 2kj6 h ASN 55 CO 0.00 0.84 0.10 -1.54 -1.29 0.00 0.00 177.43 175.54 2kj6 n SER 56 N -4.09 5.18 -3.43 1.15 3.41 -0.81 -4.74 113.62 110.29 2kj6 n SER 56 Ca -0.01 -3.07 -0.19 0.00 -0.26 0.00 0.00 58.87 55.34 2kj6 n SER 56 Cb 0.44 -0.69 -0.11 0.00 -0.26 0.00 0.00 64.21 63.59 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 -2.87 0.30 0.20 4.33 -2.45 -1.15 -4.14 119.30 113.51 2kj6 s MET 57 Ca 0.53 -0.20 -0.17 0.00 -1.25 0.00 0.00 55.69 54.60 2kj6 s MET 57 Cb 0.42 -0.76 -0.08 0.00 1.25 0.00 0.00 34.83 35.66 2kj6 s MET 57 CO 0.14 -1.02 0.66 0.00 1.05 0.00 0.00 175.02 175.85 2kj6 s ALA 58 N 2.32 3.47 -0.41 4.11 0.00 -1.25 -4.80 121.76 125.20 2kj6 s ALA 58 Ca 0.09 0.04 -0.07 0.00 0.00 0.00 0.00 51.96 52.02 2kj6 s ALA 58 Cb -0.14 -2.70 0.09 0.00 0.00 0.00 0.00 23.12 20.37 2kj6 s ALA 58 CO -0.33 0.38 0.23 -0.51 0.00 0.00 0.00 175.76 175.53 2kj6 s LEU 59 N -2.04 5.14 -0.74 0.00 1.43 -1.26 -0.53 118.68 120.67 2kj6 s LEU 59 Ca 0.42 -1.67 -0.23 0.00 -1.03 0.00 0.00 54.13 51.62 2kj6 s LEU 59 Cb -0.16 -1.93 0.07 0.00 0.03 0.00 0.00 46.19 44.21 2kj6 s LEU 59 CO 0.20 -0.54 1.09 -1.61 0.23 0.00 0.00 176.35 175.72 2kj6 s GLU 60 N 1.33 3.24 -0.77 1.70 0.41 -0.53 -4.94 118.70 119.14 2kj6 s GLU 60 Ca 0.04 -0.88 -0.23 0.00 -0.41 0.00 0.00 54.97 53.48 2kj6 s GLU 60 Cb -0.23 -4.41 0.06 0.00 -1.78 0.00 0.00 34.13 27.77 2kj6 s GLU 60 CO -0.00 -1.91 1.14 -1.17 -0.49 0.00 0.00 175.26 172.84 2kj6 s LEU 61 N 4.25 3.99 0.33 1.80 2.96 -1.25 -1.41 118.68 129.34 2kj6 s LEU 61 Ca 0.28 -1.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.16 2kj6 s LEU 61 Cb -0.12 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 2kj6 s LEU 61 CO 0.06 -1.52 0.53 -0.31 -1.32 0.00 0.00 176.35 173.80 2kj6 s TYR 62 N 4.50 3.50 0.00 5.38 2.02 -0.48 -1.12 117.35 131.15 2kj6 s TYR 62 Ca 0.30 0.37 0.00 0.00 -0.37 0.00 0.00 57.07 57.37 2kj6 s TYR 62 Cb -0.10 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.55 2kj6 s TYR 62 CO 0.06 0.16 0.00 -0.40 -1.57 0.00 0.00 175.55 173.80 2kj6 n ASP 63 N -1.60 1.81 -0.02 2.29 5.75 -1.14 -0.36 116.55 123.28 2kj6 n ASP 63 Ca -0.05 -0.89 0.06 0.00 -0.01 0.00 0.00 54.79 53.91 2kj6 n ASP 63 Cb 0.56 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.51 2kj6 n ASP 63 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2kj6 n ASP 64 N -1.06 0.94 -0.13 -1.12 2.03 -1.26 -4.67 116.55 111.28 2kj6 n ASP 64 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 2kj6 n ASP 64 Cb 0.00 1.67 -0.11 0.00 -0.72 0.00 0.00 41.12 41.96 2kj6 n ASP 64 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2kj6 n SER 65 N -2.20 2.04 0.00 1.67 2.88 -1.26 -4.96 113.62 111.80 2kj6 n SER 65 Ca -0.07 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2kj6 n SER 65 Cb 0.55 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 2kj6 n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kj6 n GLY 66 N 2.14 0.11 2.03 0.46 0.00 -1.26 -5.12 105.19 103.55 2kj6 n GLY 66 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 -0.48 -4.23 1.61 7.64 -1.26 -4.93 113.62 111.97 2kj6 n SER 67 Ca 0.00 0.11 -0.33 0.00 1.01 0.00 0.00 58.87 59.66 2kj6 n SER 67 Cb 0.00 0.83 -0.15 0.00 -1.01 0.00 0.00 64.21 63.88 2kj6 n SER 67 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2kj6 s LYS 68 N -1.12 3.16 0.00 1.43 1.02 -1.26 -2.89 119.74 120.08 2kj6 s LYS 68 Ca 0.00 -0.77 0.09 0.00 0.02 0.00 0.00 55.97 55.31 2kj6 s LYS 68 Cb 0.00 -2.61 0.21 0.00 -0.52 0.00 0.00 37.83 34.91 2kj6 s LYS 68 CO 0.00 -0.04 1.09 1.33 -0.92 0.00 0.00 175.35 176.82 2kj6 n VAL 69 N 4.20 0.69 -2.61 3.17 0.24 -0.27 -4.91 118.33 118.83 2kj6 n VAL 69 Ca -0.19 -0.85 -0.41 0.00 -2.04 0.00 0.00 64.34 60.85 2kj6 n VAL 69 Cb 0.51 0.72 -0.03 0.00 -1.47 0.00 0.00 33.84 33.57 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 -0.94 2.82 -0.03 2.33 0.00 -1.16 -4.84 121.76 119.95 2kj6 s ALA 70 Ca 0.17 -1.68 -0.16 0.00 0.00 0.00 0.00 51.96 50.29 2kj6 s ALA 70 Cb 0.10 -4.25 -0.32 0.00 0.00 0.00 0.00 23.12 18.64 2kj6 s ALA 70 CO 0.13 -3.28 0.83 0.28 0.00 0.00 0.00 175.76 173.73 2kj6 h VAL 71 N 6.18 1.21 -2.26 0.00 2.07 -1.94 -3.48 116.25 118.03 2kj6 h VAL 71 Ca -0.16 -2.57 -0.30 0.00 0.82 0.00 0.00 66.70 64.48 2kj6 h VAL 71 Cb 1.04 2.97 -0.01 0.00 -1.52 0.00 0.00 31.29 33.77 2kj6 h VAL 71 CO 1.29 0.79 -0.39 0.18 0.02 0.00 0.00 177.57 179.45 2kj6 n LEU 72 N -3.81 -1.75 -0.27 2.57 4.32 -1.26 -4.82 117.00 111.98 2kj6 n LEU 72 Ca -0.19 -0.03 0.03 0.00 -0.02 0.00 0.00 56.01 55.80 2kj6 n LEU 72 Cb 1.01 -2.28 0.07 0.00 -1.62 0.00 0.00 43.42 40.60 2kj6 n LEU 72 CO 0.53 -0.13 0.56 -0.24 -1.22 0.00 0.00 177.39 176.89 2kj6 n SER 73 N -0.94 2.43 0.00 -1.43 2.88 -1.26 -4.53 113.62 110.78 2kj6 n SER 73 Ca -0.17 -2.13 0.00 0.00 -1.33 0.00 0.00 58.87 55.24 2kj6 n SER 73 Cb 0.63 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2kj6 n SER 73 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2kj6 n ASP 74 N -0.22 0.22 -0.13 -3.46 5.68 -1.26 -4.80 116.55 112.58 2kj6 n ASP 74 Ca 0.06 -0.96 0.01 0.00 -0.50 0.00 0.00 54.79 53.40 2kj6 n ASP 74 Cb 0.37 0.01 0.28 0.00 -1.14 0.00 0.00 41.12 40.64 2kj6 n ASP 74 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2kj6 h ASP 75 N 0.00 0.72 -0.25 -1.12 3.04 -1.96 -1.77 116.42 115.08 2kj6 h ASP 75 Ca 0.00 -0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.74 2kj6 h ASP 75 Cb 0.37 -0.18 0.00 0.00 -1.04 0.00 0.00 39.33 38.48 2kj6 h ASP 75 CO 0.00 0.57 0.00 -1.54 -2.04 0.00 0.00 179.24 176.23 2kj6 n SER 76 N -4.39 3.20 -4.86 4.15 3.41 -1.26 -0.06 113.62 113.81 2kj6 n SER 76 Ca 0.05 -2.51 -0.21 0.00 -0.26 0.00 0.00 58.87 55.95 2kj6 n SER 76 Cb 0.09 -0.36 -0.04 0.00 -0.26 0.00 0.00 64.21 63.65 2kj6 n SER 76 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2kj6 s ARG 77 N -1.91 2.73 -0.23 4.33 1.81 -0.66 -4.97 118.95 120.05 2kj6 s ARG 77 Ca 0.30 -1.29 -0.28 0.00 -1.72 0.00 0.00 55.73 52.73 2kj6 s ARG 77 Cb 0.21 -2.48 -0.04 0.00 -0.45 0.00 0.00 34.95 32.19 2kj6 s ARG 77 CO 0.10 0.09 2.09 -1.25 -0.68 0.00 0.00 175.30 175.65 2kj6 s PRO 78 N -4.00 3.26 0.52 3.54 0.04 -1.26 -4.69 135.00 132.40 2kj6 s PRO 78 Ca 0.41 1.91 0.21 0.00 0.04 0.00 0.00 61.00 63.57 2kj6 s PRO 78 Cb -0.06 -4.31 1.36 0.00 0.04 0.00 0.00 34.50 31.53 2kj6 s PRO 78 CO 0.27 -1.96 2.11 1.25 0.04 0.00 0.00 177.00 178.71 2kj6 h LEU 79 N 14.39 0.00 -2.37 -3.56 5.85 -1.82 -1.12 115.31 126.68 2kj6 h LEU 79 Ca -0.40 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 2kj6 h LEU 79 Cb 1.22 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 2kj6 h LEU 79 CO 0.98 0.08 -0.03 1.23 -0.34 0.00 0.00 178.44 180.35 2kj6 h GLY 80 N 0.32 0.00 2.00 3.75 0.00 -1.37 -1.07 103.07 106.69 2kj6 h GLY 80 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2kj6 h GLY 80 CO 0.01 0.00 -0.22 -2.75 0.00 0.00 0.00 176.54 173.58 2kj6 h PHE 81 N 0.00 0.00 0.00 5.60 3.57 -1.50 -3.13 116.94 121.47 2kj6 h PHE 81 Ca -0.00 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 2kj6 h PHE 81 Cb 0.17 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 2kj6 h PHE 81 CO 0.00 0.22 -0.57 0.35 -2.23 0.00 0.00 178.31 176.08 2kj6 h PHE 82 N 0.00 0.00 -4.61 0.41 3.57 -1.28 -3.49 116.94 111.54 2kj6 h PHE 82 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2kj6 h PHE 82 Cb 1.12 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.86 2kj6 h PHE 82 CO 0.00 0.57 -0.56 0.45 -2.23 0.00 0.00 178.31 176.53 2kj6 n SER 83 N -3.24 -6.40 -4.81 0.41 2.88 -1.14 -5.01 113.62 96.31 2kj6 n SER 83 Ca 0.02 0.76 -0.32 0.00 -1.33 0.00 0.00 58.87 57.99 2kj6 n SER 83 Cb 0.76 -4.21 0.02 0.00 -0.75 0.00 0.00 64.21 60.04 2kj6 n SER 83 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2kj6 s PRO 84 N -1.64 3.23 0.36 -1.46 0.02 -1.26 -5.08 135.00 129.16 2kj6 s PRO 84 Ca 0.08 1.14 0.06 0.00 0.02 0.00 0.00 61.00 62.30 2kj6 s PRO 84 Cb -0.02 -2.02 0.06 0.00 0.02 0.00 0.00 34.50 32.53 2kj6 s PRO 84 CO 0.57 -0.88 0.48 1.19 -0.33 0.00 0.00 177.00 178.04 2kj6 n PHE 85 N -2.30 -2.46 -0.09 6.54 3.72 -1.26 -5.01 117.46 116.60 2kj6 n PHE 85 Ca 0.08 -1.33 0.08 0.00 -0.05 0.00 0.00 57.45 56.23 2kj6 n PHE 85 Cb 0.53 -0.34 0.19 0.00 -0.94 0.00 0.00 39.48 38.92 2kj6 n PHE 85 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2kj6 n ASP 86 N -2.54 3.11 -0.96 4.37 5.75 -1.26 -4.02 116.55 120.99 2kj6 n ASP 86 Ca 0.10 -1.94 0.02 0.00 -0.01 0.00 0.00 54.79 52.95 2kj6 n ASP 86 Cb 0.37 -0.26 0.21 0.00 -1.03 0.00 0.00 41.12 40.41 2kj6 n ASP 86 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kj6 n GLY 87 N 0.90 4.62 3.69 6.12 0.00 -1.26 -4.71 105.19 114.54 2kj6 n GLY 87 Ca 0.15 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.08 3.50 -0.28 1.61 0.08 -1.24 -4.25 117.98 114.33 2kj6 s PHE 88 Ca 0.43 1.54 -0.07 0.00 0.12 0.00 0.00 56.93 58.94 2kj6 s PHE 88 Cb 0.37 -3.15 -0.00 0.00 -0.57 0.00 0.00 43.02 39.67 2kj6 s PHE 88 CO 0.03 -0.22 0.07 1.03 -0.10 0.00 0.00 175.22 176.03 2kj6 s ARG 89 N 1.99 3.23 -1.04 0.44 0.52 0.52 -0.12 118.95 124.48 2kj6 s ARG 89 Ca 0.47 -0.76 -0.18 0.00 -0.52 0.00 0.00 55.73 54.74 2kj6 s ARG 89 Cb -0.18 -3.34 0.13 0.00 0.52 0.00 0.00 34.95 32.09 2kj6 s ARG 89 CO 0.17 -0.37 1.28 -0.51 0.02 0.00 0.00 175.30 175.89 2kj6 s LEU 90 N 1.52 4.84 -0.68 2.53 1.43 0.15 -1.38 118.68 127.10 2kj6 s LEU 90 Ca 0.04 -2.28 -0.20 0.00 -1.03 0.00 0.00 54.13 50.65 2kj6 s LEU 90 Cb -0.16 -2.43 0.10 0.00 0.03 0.00 0.00 46.19 43.73 2kj6 s LEU 90 CO 0.02 -1.02 0.87 -2.28 0.23 0.00 0.00 176.35 174.17 2kj6 s HIS 91 N 2.67 2.94 0.07 0.29 2.46 -0.50 -0.48 115.29 122.73 2kj6 s HIS 91 Ca 0.38 -0.94 -0.31 0.00 0.47 0.00 0.00 55.06 54.66 2kj6 s HIS 91 Cb -0.03 -4.15 -0.08 0.00 -0.13 0.00 0.00 32.58 28.19 2kj6 s HIS 91 CO -0.06 -1.44 1.52 0.42 -2.47 0.00 0.00 174.74 172.71 2kj6 s ILE 92 N 3.05 3.23 -0.91 0.89 1.01 -0.11 -1.46 121.20 126.91 2kj6 s ILE 92 Ca 0.19 0.74 -0.20 0.00 0.00 0.00 0.00 60.65 61.38 2kj6 s ILE 92 Cb -0.18 -3.48 0.11 0.00 0.01 0.00 0.00 42.46 38.93 2kj6 s ILE 92 CO 0.04 0.02 1.15 -0.63 0.00 0.00 0.00 174.94 175.52 2kj6 s ILE 93 N 2.10 4.57 -0.54 2.92 -1.09 0.31 -2.18 121.20 127.29 2kj6 s ILE 93 Ca 0.69 -1.33 -0.27 0.00 -2.23 0.00 0.00 60.65 57.51 2kj6 s ILE 93 Cb -0.37 -4.81 -0.01 0.00 -1.58 0.00 0.00 42.46 35.69 2kj6 s ILE 93 CO 0.30 -1.56 1.70 -1.81 -1.23 0.00 0.00 174.94 172.34 2kj6 s ASP 94 N 3.82 5.68 0.00 3.58 1.01 -1.26 -3.75 116.67 125.75 2kj6 s ASP 94 Ca 0.33 0.50 0.00 0.00 0.71 0.00 0.00 52.55 54.09 2kj6 s ASP 94 Cb -0.06 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.34 2kj6 s ASP 94 CO -0.07 -2.02 0.00 0.18 0.21 0.00 0.00 175.17 173.47 2kj6 n LEU 95 N 11.19 0.00 -4.64 1.23 4.77 -1.26 -4.95 117.00 123.33 2kj6 n LEU 95 Ca 0.18 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.73 2kj6 n LEU 95 Cb 0.50 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 2kj6 n LEU 95 CO 0.70 -0.07 0.85 1.51 -1.33 0.00 0.00 177.39 179.05 2kj6 s ASP 96 N -0.59 6.94 0.00 -1.43 -4.77 -1.26 -5.05 116.67 110.51 2kj6 s ASP 96 Ca 0.00 1.12 0.27 0.00 -3.30 0.00 0.00 52.55 50.64 2kj6 s ASP 96 Cb 0.00 -2.51 0.81 0.00 -1.09 0.00 0.00 42.92 40.13 2kj6 s ASP 96 CO 0.00 -0.71 1.61 -0.81 0.70 0.00 0.00 175.17 175.96