#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 4.88 3.25 3.03 0.00 -1.26 -5.13 105.19 109.96 2kj6 n GLY 2 Ca 0.00 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.43 2.55 -0.57 1.61 4.02 -1.26 -5.08 115.29 115.12 2kj6 s HIS 3 Ca 0.00 -0.91 -0.07 0.00 1.02 0.00 0.00 55.06 55.10 2kj6 s HIS 3 Cb 0.00 -1.69 0.15 0.00 -1.02 0.00 0.00 32.58 30.02 2kj6 s HIS 3 CO 0.00 -0.33 0.43 -3.38 1.02 0.00 0.00 174.74 172.47 2kj6 s HIS 4 N 0.18 3.49 0.00 1.40 0.00 -1.26 -4.77 115.29 114.34 2kj6 s HIS 4 Ca -0.13 -2.24 0.00 0.00 -3.00 0.00 0.00 55.06 49.68 2kj6 s HIS 4 Cb -0.17 -3.42 0.00 0.00 -4.00 0.00 0.00 32.58 25.00 2kj6 s HIS 4 CO 0.07 -0.94 0.69 1.58 -1.00 0.00 0.00 174.74 175.14 2kj6 n HIS 5 N 4.24 0.00 -2.15 0.38 -0.00 -1.26 -4.95 115.22 111.48 2kj6 n HIS 5 Ca 0.02 -0.23 -0.40 0.00 -0.00 0.00 0.00 57.72 57.10 2kj6 n HIS 5 Cb 0.41 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.99 30.36 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 -0.23 3.81 -3.49 1.57 -0.00 -1.26 -4.92 115.22 110.70 2kj6 n HIS 6 Ca 0.00 -2.57 -0.21 0.00 0.46 0.00 0.00 57.72 55.41 2kj6 n HIS 6 Cb 0.19 -2.53 -0.01 0.00 -0.12 0.00 0.00 29.99 27.53 2kj6 n HIS 6 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kj6 s HIS 7 N 5.10 3.26 -0.14 1.57 3.76 -1.26 -5.11 115.29 122.47 2kj6 s HIS 7 Ca 0.55 -0.03 -0.02 0.00 -0.15 0.00 0.00 55.06 55.41 2kj6 s HIS 7 Cb 0.07 -1.94 -0.02 0.00 1.11 0.00 0.00 32.58 31.80 2kj6 s HIS 7 CO 0.05 0.05 -0.08 -1.01 -0.85 0.00 0.00 174.74 172.90 2kj6 s HIS 8 N -2.21 2.92 0.56 1.40 0.09 -1.26 -5.10 115.29 111.69 2kj6 s HIS 8 Ca 0.42 -0.47 -0.19 0.00 -0.00 0.00 0.00 55.06 54.83 2kj6 s HIS 8 Cb -0.09 -1.91 -0.05 0.00 -0.00 0.00 0.00 32.58 30.53 2kj6 s HIS 8 CO 0.32 -0.12 1.14 -1.12 -0.00 0.00 0.00 174.74 174.96 2kj6 s SER 9 N 0.37 5.57 0.00 1.40 0.01 -1.26 -4.95 113.70 114.83 2kj6 s SER 9 Ca -0.07 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.40 2kj6 s SER 9 Cb -0.15 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2kj6 s SER 9 CO 0.04 -1.33 0.78 1.41 0.41 0.00 0.00 173.24 174.56 2kj6 n HIS 10 N -1.43 0.00 0.00 2.43 8.25 -1.26 -5.09 115.22 118.12 2kj6 n HIS 10 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2kj6 n HIS 10 Cb 0.51 0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.68 2kj6 n HIS 10 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kj6 n GLY 11 N 0.00 0.80 2.49 -1.41 0.00 -1.26 -5.08 105.19 100.72 2kj6 n GLY 11 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.19 -3.59 1.61 2.03 -1.26 -5.09 116.55 109.07 2kj6 n ASP 12 Ca 0.00 -3.20 -0.00 0.00 0.52 0.00 0.00 54.79 52.11 2kj6 n ASP 12 Cb 0.00 0.72 -0.06 0.00 -0.72 0.00 0.00 41.12 41.06 2kj6 n ASP 12 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2kj6 s ASP 13 N -1.63 -0.37 0.00 1.67 -4.77 -1.26 -5.14 116.67 105.17 2kj6 s ASP 13 Ca 0.32 0.57 0.00 0.00 -3.30 0.00 0.00 52.55 50.14 2kj6 s ASP 13 Cb 0.26 1.21 0.00 0.00 -1.09 0.00 0.00 42.92 43.30 2kj6 s ASP 13 CO -0.13 -0.09 0.00 -1.54 0.70 0.00 0.00 175.17 174.12 2kj6 n SER 14 N 3.74 0.00 -4.17 2.11 3.41 -1.26 -5.00 113.62 112.45 2kj6 n SER 14 Ca -0.16 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.06 2kj6 n SER 14 Cb 0.56 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.41 2kj6 n SER 14 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2kj6 s VAL 15 N 0.00 3.75 -1.20 -3.33 -7.23 -0.36 -4.86 120.40 107.17 2kj6 s VAL 15 Ca 0.00 -1.90 -0.20 0.00 -1.81 0.00 0.00 61.98 58.07 2kj6 s VAL 15 Cb 0.00 -3.50 0.03 0.00 0.56 0.00 0.00 36.38 33.47 2kj6 s VAL 15 CO 0.00 -0.72 1.73 -1.00 -0.31 0.00 0.00 175.10 174.81 2kj6 s HIS 16 N 1.26 2.52 -0.55 2.82 3.76 -1.26 -2.04 115.29 121.81 2kj6 s HIS 16 Ca 0.07 -0.96 -0.24 0.00 -0.15 0.00 0.00 55.06 53.77 2kj6 s HIS 16 Cb -0.24 -4.57 0.04 0.00 1.11 0.00 0.00 32.58 28.92 2kj6 s HIS 16 CO -0.02 -1.72 0.95 -0.51 -0.85 0.00 0.00 174.74 172.58 2kj6 s LEU 17 N 5.96 4.08 -0.39 0.89 1.43 -1.15 -4.49 118.68 125.02 2kj6 s LEU 17 Ca 0.56 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 53.06 2kj6 s LEU 17 Cb 0.02 -2.86 0.02 0.00 0.03 0.00 0.00 46.19 43.39 2kj6 s LEU 17 CO 0.05 -1.22 1.22 -1.00 0.23 0.00 0.00 176.35 175.63 2kj6 s HIS 18 N 3.95 2.76 -0.13 0.29 3.76 -1.21 -3.97 115.29 120.74 2kj6 s HIS 18 Ca 0.31 0.85 -0.29 0.00 -0.15 0.00 0.00 55.06 55.77 2kj6 s HIS 18 Cb -0.12 -4.12 -0.02 0.00 1.11 0.00 0.00 32.58 29.43 2kj6 s HIS 18 CO 0.20 -1.43 1.19 0.42 -0.85 0.00 0.00 174.74 174.26 2kj6 s ILE 19 N 4.47 4.37 -0.06 0.60 1.01 -0.52 0.28 121.20 131.36 2kj6 s ILE 19 Ca 0.52 1.67 0.02 0.00 0.00 0.00 0.00 60.65 62.86 2kj6 s ILE 19 Cb -0.12 -4.08 0.02 0.00 0.01 0.00 0.00 42.46 38.29 2kj6 s ILE 19 CO 0.26 -0.08 -0.09 -0.89 0.00 0.00 0.00 174.94 174.14 2kj6 s THR 20 N 2.87 0.88 0.10 2.92 2.01 0.89 -4.32 115.64 120.99 2kj6 s THR 20 Ca 0.53 -0.32 -0.02 0.00 0.31 0.00 0.00 61.69 62.18 2kj6 s THR 20 Cb -0.21 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 2kj6 s THR 20 CO 0.16 0.30 0.29 -2.28 -0.69 0.00 0.00 174.62 172.40 2kj6 s HIS 21 N 0.77 3.50 0.17 4.92 2.46 -1.13 0.21 115.29 126.19 2kj6 s HIS 21 Ca -0.13 0.41 -0.09 0.00 0.47 0.00 0.00 55.06 55.72 2kj6 s HIS 21 Cb -0.15 -1.88 0.04 0.00 -0.13 0.00 0.00 32.58 30.46 2kj6 s HIS 21 CO 0.02 0.51 1.57 0.00 -2.47 0.00 0.00 174.74 174.38 2kj6 h ALA 22 N 2.96 0.73 -0.01 1.58 0.00 -1.34 -3.01 119.26 120.17 2kj6 h ALA 22 Ca -0.45 -0.38 -0.21 0.00 0.00 0.00 0.00 54.91 53.86 2kj6 h ALA 22 Cb 1.16 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2kj6 h ALA 22 CO 0.74 0.67 -0.89 -0.97 0.00 0.00 0.00 179.25 178.80 2kj6 h ASN 23 N 0.85 0.40 -3.81 0.00 -0.73 -1.95 -3.39 115.58 106.95 2kj6 h ASN 23 Ca 0.11 -0.32 -0.74 0.00 1.87 0.00 0.00 56.30 57.23 2kj6 h ASN 23 Cb 0.76 -0.12 -0.31 0.00 0.27 0.00 0.00 38.32 38.93 2kj6 h ASN 23 CO 0.06 1.11 -0.22 -0.76 -0.37 0.00 0.00 177.43 177.25 2kj6 s LEU 24 N -7.62 5.87 0.17 0.34 1.43 -1.14 -4.95 118.68 112.78 2kj6 s LEU 24 Ca -0.04 -2.55 -0.20 0.00 -1.03 0.00 0.00 54.13 50.31 2kj6 s LEU 24 Cb 0.10 -2.02 0.08 0.00 0.03 0.00 0.00 46.19 44.38 2kj6 s LEU 24 CO 0.85 -0.53 1.64 0.50 0.23 0.00 0.00 176.35 179.04 2kj6 h LYS 25 N 7.66 -0.14 -4.07 1.70 1.63 -1.77 -2.99 116.57 118.60 2kj6 h LYS 25 Ca -0.03 0.01 -0.74 0.00 -0.85 0.00 0.00 60.65 59.04 2kj6 h LYS 25 Cb 1.01 0.03 -0.29 0.00 -0.60 0.00 0.00 32.23 32.39 2kj6 h LYS 25 CO 0.77 -0.09 -0.26 0.45 -3.45 0.00 0.00 179.45 176.86 2kj6 s SER 26 N -5.12 5.93 -0.33 4.20 0.15 -1.26 -4.68 113.70 112.59 2kj6 s SER 26 Ca -0.14 -2.19 -0.10 0.00 0.70 0.00 0.00 55.95 54.21 2kj6 s SER 26 Cb 0.14 -2.06 -0.00 0.00 -1.71 0.00 0.00 66.02 62.39 2kj6 s SER 26 CO 0.70 -0.65 0.18 0.12 1.20 0.00 0.00 173.24 174.78 2kj6 s PHE 27 N 0.95 3.20 -1.19 3.44 5.36 -1.24 -5.02 117.98 123.48 2kj6 s PHE 27 Ca 0.09 -0.57 -0.19 0.00 -0.96 0.00 0.00 56.93 55.31 2kj6 s PHE 27 Cb -0.23 -2.39 0.08 0.00 -0.34 0.00 0.00 43.02 40.15 2kj6 s PHE 27 CO -0.02 -0.47 1.59 -1.12 -1.46 0.00 0.00 175.22 173.74 2kj6 s SER 28 N 1.62 6.77 -0.37 6.13 0.01 -1.26 -4.69 113.70 121.91 2kj6 s SER 28 Ca 0.04 -2.24 0.03 0.00 1.31 0.00 0.00 55.95 55.09 2kj6 s SER 28 Cb -0.17 -2.54 0.16 0.00 0.21 0.00 0.00 66.02 63.67 2kj6 s SER 28 CO 0.07 -1.19 0.38 0.00 0.41 0.00 0.00 173.24 172.90 2kj6 s ALA 29 N 3.96 -0.38 -0.22 1.44 0.00 -1.26 -5.08 121.76 120.23 2kj6 s ALA 29 Ca 0.49 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.35 2kj6 s ALA 29 Cb 0.02 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 2kj6 s ALA 29 CO 0.01 -2.15 0.03 0.16 0.00 0.00 0.00 175.76 173.81 2kj6 s ASP 30 N 1.37 4.99 -0.01 0.00 -4.77 -1.26 -1.44 116.67 115.55 2kj6 s ASP 30 Ca 0.17 -0.19 0.02 0.00 -3.30 0.00 0.00 52.55 49.25 2kj6 s ASP 30 Cb -0.15 -1.87 0.00 0.00 -1.09 0.00 0.00 42.92 39.81 2kj6 s ASP 30 CO -0.02 0.03 -0.05 0.00 0.70 0.00 0.00 175.17 175.83 2kj6 s ALA 31 N 1.19 0.53 -0.57 2.11 0.00 -1.25 -5.06 121.76 118.70 2kj6 s ALA 31 Ca 0.04 -0.19 -0.19 0.00 0.00 0.00 0.00 51.96 51.62 2kj6 s ALA 31 Cb -0.14 -0.20 0.10 0.00 0.00 0.00 0.00 23.12 22.87 2kj6 s ALA 31 CO 0.02 0.09 0.68 -0.98 0.00 0.00 0.00 175.76 175.57 2kj6 s ARG 32 N 0.16 3.05 0.71 0.00 1.70 -1.26 -2.94 118.95 120.37 2kj6 s ARG 32 Ca -0.02 -1.27 -0.08 0.00 -0.47 0.00 0.00 55.73 53.90 2kj6 s ARG 32 Cb -0.06 -4.24 0.06 0.00 -0.57 0.00 0.00 34.95 30.14 2kj6 s ARG 32 CO -0.00 -1.48 1.03 -0.06 -1.08 0.00 0.00 175.30 173.72 2kj6 s PHE 33 N 2.62 2.97 0.06 5.89 0.08 -0.86 -4.67 117.98 124.07 2kj6 s PHE 33 Ca 0.12 0.54 0.00 0.00 0.12 0.00 0.00 56.93 57.71 2kj6 s PHE 33 Cb -0.24 -3.20 -0.04 0.00 -0.57 0.00 0.00 43.02 38.98 2kj6 s PHE 33 CO 0.07 -1.40 0.18 -1.54 -0.10 0.00 0.00 175.22 172.43 2kj6 s SER 34 N -4.50 6.20 0.00 1.36 1.04 -1.26 -1.22 113.70 115.32 2kj6 s SER 34 Ca 0.60 0.22 0.00 0.00 0.48 0.00 0.00 55.95 57.25 2kj6 s SER 34 Cb -0.11 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.14 2kj6 s SER 34 CO 0.46 0.18 0.40 -0.81 0.98 0.00 0.00 173.24 174.44 2kj6 n PRO 35 N 0.36 0.54 0.07 4.02 -0.04 -1.26 -3.18 135.00 135.51 2kj6 n PRO 35 Ca -0.06 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.23 2kj6 n PRO 35 Cb 0.51 -1.14 -0.14 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.24 0.26 -6.72 0.54 4.20 -1.96 -2.53 115.11 109.15 2kj6 h GLN 36 Ca 0.00 -0.44 -0.50 0.00 0.06 0.00 0.00 58.65 57.77 2kj6 h GLN 36 Cb 0.14 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2kj6 h GLN 36 CO 0.00 1.13 0.39 1.41 -0.67 0.00 0.00 178.83 181.09 2kj6 s MET 37 N -2.62 4.76 0.30 1.46 1.75 -1.19 -4.71 119.30 119.04 2kj6 s MET 37 Ca -0.08 1.57 -0.03 0.00 -1.25 0.00 0.00 55.69 55.89 2kj6 s MET 37 Cb 0.07 -3.28 -0.05 0.00 2.84 0.00 0.00 34.83 34.41 2kj6 s MET 37 CO 0.86 0.36 0.54 -1.12 -0.65 0.00 0.00 175.02 175.01 2kj6 s SER 38 N -0.79 6.40 0.36 1.11 0.01 -1.26 -0.65 113.70 118.88 2kj6 s SER 38 Ca 0.44 0.64 0.09 0.00 1.31 0.00 0.00 55.95 58.42 2kj6 s SER 38 Cb -0.27 -2.11 0.68 0.00 0.21 0.00 0.00 66.02 64.53 2kj6 s SER 38 CO 0.34 -0.21 1.85 0.58 0.41 0.00 0.00 173.24 176.20 2kj6 h VAL 39 N 1.23 1.22 -0.55 3.43 2.07 -1.62 -2.03 116.25 120.00 2kj6 h VAL 39 Ca -0.48 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.06 2kj6 h VAL 39 Cb 1.20 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 2kj6 h VAL 39 CO 0.65 0.31 0.36 -0.08 0.02 0.00 0.00 177.57 178.84 2kj6 h GLU 40 N 0.20 0.50 -0.35 1.57 4.81 -1.04 -2.82 114.58 117.46 2kj6 h GLU 40 Ca 0.03 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 2kj6 h GLU 40 Cb 0.52 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2kj6 h GLU 40 CO 0.04 0.33 -0.04 0.00 -0.73 0.00 0.00 179.01 178.61 2kj6 h ALA 41 N 1.70 0.48 -0.20 2.92 0.00 -1.66 -2.63 119.26 119.87 2kj6 h ALA 41 Ca 0.23 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2kj6 h ALA 41 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2kj6 h ALA 41 CO -0.06 0.28 -0.28 -0.24 0.00 0.00 0.00 179.25 178.95 2kj6 h VAL 42 N 0.44 1.26 0.42 0.00 3.04 -1.54 -0.83 116.25 119.04 2kj6 h VAL 42 Ca 0.09 -1.27 -0.01 0.00 -1.01 0.00 0.00 66.70 64.50 2kj6 h VAL 42 Cb 0.52 1.42 -0.01 0.00 -2.01 0.00 0.00 31.29 31.21 2kj6 h VAL 42 CO 0.03 0.39 -0.26 0.11 -1.01 0.00 0.00 177.57 176.83 2kj6 h LYS 43 N 0.34 -0.63 -0.97 4.17 1.57 -1.39 0.15 116.57 119.80 2kj6 h LYS 43 Ca 0.05 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 2kj6 h LYS 43 Cb 0.66 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 33.06 2kj6 h LYS 43 CO 0.05 -0.42 0.63 1.49 -0.57 0.00 0.00 179.45 180.63 2kj6 h GLU 44 N -0.65 1.15 -0.19 3.15 4.81 -1.23 -0.85 114.58 120.76 2kj6 h GLU 44 Ca -0.05 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 58.97 2kj6 h GLU 44 Cb 0.54 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2kj6 h GLU 44 CO 0.05 0.76 -0.50 -0.22 -0.73 0.00 0.00 179.01 178.37 2kj6 h LYS 45 N 1.18 0.53 -0.32 1.92 3.64 -0.92 -1.63 116.57 120.97 2kj6 h LYS 45 Ca 0.40 -0.31 -0.13 0.00 -1.27 0.00 0.00 60.65 59.35 2kj6 h LYS 45 Cb 0.08 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 2kj6 h LYS 45 CO -0.15 0.90 -0.32 -0.07 -2.27 0.00 0.00 179.45 177.54 2kj6 h LEU 46 N 0.42 0.72 -1.86 5.20 3.38 -0.50 0.31 115.31 122.96 2kj6 h LEU 46 Ca 0.02 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 2kj6 h LEU 46 Cb 1.02 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 2kj6 h LEU 46 CO 0.09 0.99 -0.13 -0.25 0.09 0.00 0.00 178.44 179.22 2kj6 h TRP 47 N 0.58 0.00 0.17 1.13 7.01 -0.83 0.52 115.95 124.52 2kj6 h TRP 47 Ca 0.06 0.00 -0.32 0.00 2.11 0.00 0.00 58.89 60.74 2kj6 h TRP 47 Cb 0.83 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.90 2kj6 h TRP 47 CO 0.04 0.13 -1.61 0.87 -2.79 0.00 0.00 178.44 175.08 2kj6 h LYS 48 N 0.00 0.35 0.38 2.65 1.57 -0.78 -2.71 116.57 118.03 2kj6 h LYS 48 Ca -0.00 -0.60 -0.02 0.00 -1.87 0.00 0.00 60.65 58.16 2kj6 h LYS 48 Cb 0.31 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2kj6 h LYS 48 CO 0.02 1.29 -0.18 -0.22 -0.57 0.00 0.00 179.45 179.78 2kj6 h LYS 49 N -0.03 -0.49 0.00 3.15 3.64 0.02 -3.33 116.57 119.52 2kj6 h LYS 49 Ca -0.32 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.01 2kj6 h LYS 49 Cb 1.99 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.90 2kj6 h LYS 49 CO 0.14 -0.18 -1.43 0.00 -2.27 0.00 0.00 179.45 175.72 2kj6 n GLY 51 N 1.30 0.28 3.28 0.00 0.00 -1.02 -5.02 105.19 104.02 2kj6 n GLY 51 Ca -0.06 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.50 1.76 0.29 2.61 2.01 -1.26 -5.02 115.64 113.53 2kj6 s THR 52 Ca 0.00 -1.41 -0.29 0.00 0.31 0.00 0.00 61.69 60.30 2kj6 s THR 52 Cb 0.00 -1.56 -0.10 0.00 0.01 0.00 0.00 72.50 70.84 2kj6 s THR 52 CO 0.00 0.09 1.43 -0.44 -0.69 0.00 0.00 174.62 175.00 2kj6 s SER 53 N -1.58 6.61 0.00 3.53 0.01 -1.26 -4.42 113.70 116.60 2kj6 s SER 53 Ca 0.08 2.75 0.31 0.00 1.31 0.00 0.00 55.95 60.40 2kj6 s SER 53 Cb -0.09 -2.64 1.81 0.00 0.21 0.00 0.00 66.02 65.31 2kj6 s SER 53 CO 0.03 -0.70 2.17 1.33 0.41 0.00 0.00 173.24 176.48 2kj6 n VAL 54 N 1.67 0.00 0.65 3.43 0.24 -1.26 -3.87 118.33 119.20 2kj6 n VAL 54 Ca 0.04 -0.01 -0.01 0.00 -2.04 0.00 0.00 64.34 62.33 2kj6 n VAL 54 Cb 0.40 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 2kj6 n VAL 54 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2kj6 n ASN 55 N -0.94 3.51 -0.50 -1.34 5.15 -1.26 -2.15 115.26 117.73 2kj6 n ASN 55 Ca 0.23 -2.12 0.00 0.00 -0.60 0.00 0.00 54.58 52.09 2kj6 n ASN 55 Cb 0.11 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 38.73 2kj6 n ASN 55 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2kj6 n SER 56 N 0.67 0.00 -3.32 1.20 7.64 -1.25 -5.03 113.62 113.53 2kj6 n SER 56 Ca 0.01 -1.62 -0.10 0.00 1.01 0.00 0.00 58.87 58.18 2kj6 n SER 56 Cb 0.52 -0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.53 2kj6 n SER 56 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2kj6 s MET 57 N 0.00 0.40 0.16 1.43 -2.45 -0.91 -3.13 119.30 114.80 2kj6 s MET 57 Ca 0.00 0.14 -0.19 0.00 -1.25 0.00 0.00 55.69 54.39 2kj6 s MET 57 Cb 0.00 -0.35 -0.08 0.00 1.25 0.00 0.00 34.83 35.65 2kj6 s MET 57 CO 0.00 -1.00 0.66 0.00 1.05 0.00 0.00 175.02 175.73 2kj6 s ALA 58 N 2.53 3.50 -0.50 4.11 0.00 -1.13 -4.84 121.76 125.42 2kj6 s ALA 58 Ca 0.10 0.10 -0.14 0.00 0.00 0.00 0.00 51.96 52.02 2kj6 s ALA 58 Cb -0.13 -2.73 0.10 0.00 0.00 0.00 0.00 23.12 20.36 2kj6 s ALA 58 CO -0.29 0.37 0.42 -0.51 0.00 0.00 0.00 175.76 175.75 2kj6 s LEU 59 N -1.63 5.83 -0.43 0.00 1.43 -1.26 -0.46 118.68 122.16 2kj6 s LEU 59 Ca 0.37 -1.60 -0.22 0.00 -1.03 0.00 0.00 54.13 51.66 2kj6 s LEU 59 Cb -0.18 -2.16 0.02 0.00 0.03 0.00 0.00 46.19 43.90 2kj6 s LEU 59 CO 0.21 -0.73 0.69 -1.61 0.23 0.00 0.00 176.35 175.14 2kj6 s GLU 60 N 1.58 3.39 -0.53 1.70 0.41 0.23 -4.91 118.70 120.56 2kj6 s GLU 60 Ca 0.04 -0.20 -0.26 0.00 -0.41 0.00 0.00 54.97 54.14 2kj6 s GLU 60 Cb -0.27 -3.92 0.03 0.00 -1.78 0.00 0.00 34.13 28.19 2kj6 s GLU 60 CO 0.04 -1.00 1.01 -1.17 -0.49 0.00 0.00 175.26 173.65 2kj6 s LEU 61 N 2.97 3.89 -0.23 1.80 2.96 -1.23 0.23 118.68 129.06 2kj6 s LEU 61 Ca 0.26 -0.08 -0.26 0.00 -0.22 0.00 0.00 54.13 53.83 2kj6 s LEU 61 Cb -0.13 -3.04 -0.00 0.00 0.50 0.00 0.00 46.19 43.51 2kj6 s LEU 61 CO 0.20 -1.25 0.89 -0.31 -1.32 0.00 0.00 176.35 174.55 2kj6 s TYR 62 N 4.19 3.33 -0.11 5.38 2.02 0.11 -1.94 117.35 130.33 2kj6 s TYR 62 Ca 0.36 1.25 -0.09 0.00 -0.37 0.00 0.00 57.07 58.22 2kj6 s TYR 62 Cb -0.10 -3.11 -0.04 0.00 -0.40 0.00 0.00 41.96 38.31 2kj6 s TYR 62 CO 0.23 -0.40 0.18 0.16 -1.57 0.00 0.00 175.55 174.15 2kj6 s ASP 63 N 1.28 6.44 0.00 2.29 1.47 -1.11 -1.47 116.67 125.56 2kj6 s ASP 63 Ca 0.38 0.52 0.25 0.00 1.18 0.00 0.00 52.55 54.88 2kj6 s ASP 63 Cb -0.15 -2.10 0.32 0.00 -0.34 0.00 0.00 42.92 40.64 2kj6 s ASP 63 CO 0.08 0.36 1.32 -0.67 0.68 0.00 0.00 175.17 176.94 2kj6 n ASP 64 N 2.16 2.52 0.07 2.11 2.03 -1.24 -2.67 116.55 121.54 2kj6 n ASP 64 Ca -0.18 -1.80 -0.21 0.00 0.52 0.00 0.00 54.79 53.12 2kj6 n ASP 64 Cb 0.54 0.08 -0.15 0.00 -0.72 0.00 0.00 41.12 40.88 2kj6 n ASP 64 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 2kj6 h SER 65 N 3.83 0.56 0.00 1.67 0.87 -1.94 -3.46 113.55 115.08 2kj6 h SER 65 Ca 0.00 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 59.75 2kj6 h SER 65 Cb 0.86 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2kj6 h SER 65 CO 0.00 1.68 0.00 0.61 -0.53 0.00 0.00 176.83 178.59 2kj6 n GLY 66 N 1.80 0.45 1.54 5.77 0.00 -1.25 -5.12 105.19 108.39 2kj6 n GLY 66 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.50 -3.93 1.61 7.64 -1.09 -4.98 113.62 110.38 2kj6 n SER 67 Ca 0.00 0.65 -0.24 0.00 1.01 0.00 0.00 58.87 60.29 2kj6 n SER 67 Cb 0.00 2.50 -0.17 0.00 -1.01 0.00 0.00 64.21 65.53 2kj6 n SER 67 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2kj6 s LYS 68 N -1.79 1.32 0.01 1.43 2.20 -1.26 -2.77 119.74 118.89 2kj6 s LYS 68 Ca 0.00 -0.23 0.01 0.00 -0.36 0.00 0.00 55.97 55.38 2kj6 s LYS 68 Cb 0.00 -1.28 -0.01 0.00 -1.51 0.00 0.00 37.83 35.02 2kj6 s LYS 68 CO 0.00 -0.13 -0.03 0.14 -0.36 0.00 0.00 175.35 174.97 2kj6 s VAL 69 N 1.19 0.18 -0.30 4.02 -7.23 -0.82 -4.88 120.40 112.56 2kj6 s VAL 69 Ca -0.05 -0.56 -0.15 0.00 -1.81 0.00 0.00 61.98 59.40 2kj6 s VAL 69 Cb -0.14 -0.24 0.18 0.00 0.56 0.00 0.00 36.38 36.73 2kj6 s VAL 69 CO -0.02 -0.25 1.14 0.00 -0.31 0.00 0.00 175.10 175.67 2kj6 s ALA 70 N -0.81 -3.85 -0.11 1.32 0.00 -1.26 -3.53 121.76 113.51 2kj6 s ALA 70 Ca -0.08 1.35 -0.19 0.00 0.00 0.00 0.00 51.96 53.04 2kj6 s ALA 70 Cb -0.06 -2.65 -0.16 0.00 0.00 0.00 0.00 23.12 20.25 2kj6 s ALA 70 CO -0.00 -1.64 0.56 0.28 0.00 0.00 0.00 175.76 174.96 2kj6 h VAL 71 N 4.97 1.07 0.00 0.00 2.07 -2.00 -3.47 116.25 118.88 2kj6 h VAL 71 Ca -0.11 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.72 2kj6 h VAL 71 Cb 1.18 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 2kj6 h VAL 71 CO -0.17 0.35 0.00 -0.11 0.02 0.00 0.00 177.57 177.66 2kj6 n LEU 72 N -4.72 0.42 0.03 2.57 7.94 -1.26 -4.74 117.00 117.24 2kj6 n LEU 72 Ca -0.06 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 54.95 2kj6 n LEU 72 Cb 0.29 -1.22 -0.01 0.00 0.53 0.00 0.00 43.42 43.00 2kj6 n LEU 72 CO 0.22 -0.38 -0.11 -0.24 -1.11 0.00 0.00 177.39 175.77 2kj6 n SER 73 N -0.35 0.57 -0.03 1.96 2.88 -1.26 -4.05 113.62 113.35 2kj6 n SER 73 Ca 0.00 -0.14 0.13 0.00 -1.33 0.00 0.00 58.87 57.53 2kj6 n SER 73 Cb 0.18 0.93 0.48 0.00 -0.75 0.00 0.00 64.21 65.04 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 -2.08 0.29 0.23 -3.46 5.75 -1.26 -3.73 116.55 112.28 2kj6 n ASP 74 Ca 0.01 -0.01 0.07 0.00 -0.01 0.00 0.00 54.79 54.85 2kj6 n ASP 74 Cb 0.47 -0.13 0.54 0.00 -1.03 0.00 0.00 41.12 40.97 2kj6 n ASP 74 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 2kj6 h ASP 75 N 0.12 0.00 -0.14 -1.12 2.03 -1.96 -0.67 116.42 114.68 2kj6 h ASP 75 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kj6 h ASP 75 Cb 0.47 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 2kj6 h ASP 75 CO 0.00 0.19 0.00 -1.20 -1.03 0.00 0.00 179.24 177.20 2kj6 n SER 76 N -4.13 1.51 -4.62 4.15 7.64 -1.24 -0.50 113.62 116.44 2kj6 n SER 76 Ca -0.02 -1.67 -0.27 0.00 1.01 0.00 0.00 58.87 57.92 2kj6 n SER 76 Cb 0.27 -0.09 -0.10 0.00 -1.01 0.00 0.00 64.21 63.27 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 -1.82 1.97 0.51 1.43 1.81 -0.26 -4.94 118.95 117.65 2kj6 s ARG 77 Ca 0.32 -2.03 -0.23 0.00 -1.72 0.00 0.00 55.73 52.07 2kj6 s ARG 77 Cb 0.17 -1.70 -0.06 0.00 -0.45 0.00 0.00 34.95 32.91 2kj6 s ARG 77 CO 0.26 -0.01 1.32 -2.14 -0.68 0.00 0.00 175.30 174.06 2kj6 s PRO 78 N -3.71 3.38 0.57 3.54 0.02 -1.26 -3.38 135.00 134.16 2kj6 s PRO 78 Ca 0.35 2.16 0.26 0.00 0.02 0.00 0.00 61.00 63.79 2kj6 s PRO 78 Cb 0.07 -2.36 1.68 0.00 0.02 0.00 0.00 34.50 33.92 2kj6 s PRO 78 CO 0.18 -0.98 2.23 1.25 -0.33 0.00 0.00 177.00 179.36 2kj6 h LEU 79 N 1.75 0.00 -0.02 -5.54 5.85 -1.04 0.83 115.31 117.14 2kj6 h LEU 79 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2kj6 h LEU 79 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2kj6 h LEU 79 CO 0.59 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.30 2kj6 n GLY 80 N -1.37 -1.25 0.21 3.75 0.00 -0.95 -0.09 105.19 105.48 2kj6 n GLY 80 Ca -0.03 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 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 0.95 0.13 1.61 3.57 -1.10 -3.29 116.94 118.81 2kj6 h PHE 81 Ca 0.00 -0.42 -0.36 0.00 3.53 0.00 0.00 57.97 60.72 2kj6 h PHE 81 Cb 0.38 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2kj6 h PHE 81 CO 0.00 1.24 -1.93 0.35 -2.23 0.00 0.00 178.31 175.74 2kj6 h PHE 82 N 0.47 0.48 -4.83 0.41 3.57 -1.64 -3.51 116.94 111.90 2kj6 h PHE 82 Ca -0.05 -0.35 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2kj6 h PHE 82 Cb 1.40 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.12 2kj6 h PHE 82 CO 0.08 1.76 -0.41 0.45 -2.23 0.00 0.00 178.31 177.96 2kj6 n SER 83 N -3.55 -6.80 -4.71 0.41 2.88 0.86 -4.98 113.62 97.74 2kj6 n SER 83 Ca -0.31 0.46 -0.42 0.00 -1.33 0.00 0.00 58.87 57.27 2kj6 n SER 83 Cb 1.03 -4.54 -0.03 0.00 -0.75 0.00 0.00 64.21 59.92 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 -2.26 4.51 0.24 -1.46 0.02 -1.26 -5.05 135.00 129.74 2kj6 s PRO 84 Ca 0.19 1.60 0.01 0.00 0.02 0.00 0.00 61.00 62.83 2kj6 s PRO 84 Cb -0.05 -3.39 0.05 0.00 0.02 0.00 0.00 34.50 31.12 2kj6 s PRO 84 CO 0.62 -0.12 0.33 1.19 -0.33 0.00 0.00 177.00 178.69 2kj6 n PHE 85 N 3.73 -3.07 0.49 6.54 3.72 -1.26 -4.51 117.46 123.11 2kj6 n PHE 85 Ca 0.07 -0.67 0.09 0.00 -0.05 0.00 0.00 57.45 56.89 2kj6 n PHE 85 Cb 0.48 -0.24 0.37 0.00 -0.94 0.00 0.00 39.48 39.15 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 -2.90 0.18 -0.31 4.37 5.75 -1.26 -2.21 116.55 120.16 2kj6 n ASP 86 Ca 0.06 0.54 0.14 0.00 -0.01 0.00 0.00 54.79 55.52 2kj6 n ASP 86 Cb 0.21 -0.58 0.53 0.00 -1.03 0.00 0.00 41.12 40.25 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 0.07 -0.41 3.90 6.12 0.00 -1.26 -4.89 105.19 108.72 2kj6 n GLY 87 Ca 0.03 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.22 3.55 0.05 1.61 0.40 -0.94 -3.60 117.98 116.83 2kj6 s PHE 88 Ca 0.34 0.40 0.06 0.00 -0.60 0.00 0.00 56.93 57.12 2kj6 s PHE 88 Cb 0.20 -1.86 -0.02 0.00 0.51 0.00 0.00 43.02 41.85 2kj6 s PHE 88 CO 0.41 0.64 -0.17 1.03 0.70 0.00 0.00 175.22 177.83 2kj6 s ARG 89 N -1.93 1.08 -0.45 0.44 0.52 -0.54 -3.35 118.95 114.73 2kj6 s ARG 89 Ca 0.28 -0.85 -0.15 0.00 -0.52 0.00 0.00 55.73 54.49 2kj6 s ARG 89 Cb -0.13 -1.14 0.06 0.00 0.52 0.00 0.00 34.95 34.27 2kj6 s ARG 89 CO 0.18 0.28 0.36 -0.51 0.02 0.00 0.00 175.30 175.64 2kj6 s LEU 90 N -1.22 5.46 -0.51 2.53 1.43 0.14 0.04 118.68 126.55 2kj6 s LEU 90 Ca 0.04 -1.26 -0.19 0.00 -1.03 0.00 0.00 54.13 51.68 2kj6 s LEU 90 Cb -0.08 -2.15 0.06 0.00 0.03 0.00 0.00 46.19 44.04 2kj6 s LEU 90 CO 0.02 -0.59 0.61 -2.28 0.23 0.00 0.00 176.35 174.33 2kj6 s HIS 91 N 1.62 3.06 -0.50 0.29 2.46 0.13 -0.07 115.29 122.28 2kj6 s HIS 91 Ca 0.04 -0.60 -0.29 0.00 0.47 0.00 0.00 55.06 54.68 2kj6 s HIS 91 Cb -0.23 -3.53 0.03 0.00 -0.13 0.00 0.00 32.58 28.71 2kj6 s HIS 91 CO 0.07 -1.03 1.21 0.42 -2.47 0.00 0.00 174.74 172.94 2kj6 s ILE 92 N 2.54 4.09 -0.14 0.89 1.01 0.13 -0.60 121.20 129.12 2kj6 s ILE 92 Ca 0.14 1.07 -0.28 0.00 0.00 0.00 0.00 60.65 61.58 2kj6 s ILE 92 Cb -0.20 -4.58 -0.01 0.00 0.01 0.00 0.00 42.46 37.68 2kj6 s ILE 92 CO 0.11 -1.08 0.93 -0.63 0.00 0.00 0.00 174.94 174.27 2kj6 s ILE 93 N 4.82 4.82 -0.25 2.92 -1.09 0.39 -0.82 121.20 132.00 2kj6 s ILE 93 Ca 0.49 1.87 -0.17 0.00 -2.23 0.00 0.00 60.65 60.60 2kj6 s ILE 93 Cb -0.08 -4.24 -0.03 0.00 -1.58 0.00 0.00 42.46 36.53 2kj6 s ILE 93 CO 0.30 0.01 0.48 -1.81 -1.23 0.00 0.00 174.94 172.69 2kj6 s ASP 94 N 1.11 6.42 0.00 3.58 1.01 -1.26 -2.86 116.67 124.67 2kj6 s ASP 94 Ca 0.44 0.50 0.00 0.00 0.71 0.00 0.00 52.55 54.20 2kj6 s ASP 94 Cb -0.17 -2.26 0.00 0.00 1.01 0.00 0.00 42.92 41.49 2kj6 s ASP 94 CO 0.15 -0.23 0.00 0.18 0.21 0.00 0.00 175.17 175.48 2kj6 n LEU 95 N 5.30 0.00 -4.56 1.23 4.77 -1.18 -5.03 117.00 117.52 2kj6 n LEU 95 Ca -0.05 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.53 2kj6 n LEU 95 Cb 0.50 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 2kj6 n LEU 95 CO 0.40 0.00 0.02 -0.62 -1.33 0.00 0.00 177.39 175.85 2kj6 s ASP 96 N -0.81 6.18 0.00 -1.43 2.15 -1.26 -5.07 116.67 116.42 2kj6 s ASP 96 Ca 0.00 -0.07 0.10 0.00 0.43 0.00 0.00 52.55 53.01 2kj6 s ASP 96 Cb 0.00 -2.19 0.61 0.00 -0.30 0.00 0.00 42.92 41.04 2kj6 s ASP 96 CO 0.00 -0.26 1.05 -2.65 -0.17 0.00 0.00 175.17 173.14