#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 0.20 2.79 3.17 0.00 -1.26 -5.10 105.19 104.99 2kj6 n GLY 2 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 2kj6 n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kj6 s HIS 3 N -1.17 -0.51 0.73 1.61 5.04 -1.26 -5.15 115.29 114.59 2kj6 s HIS 3 Ca 0.00 -0.33 -0.11 0.00 -1.54 0.00 0.00 55.06 53.08 2kj6 s HIS 3 Cb 0.00 -0.38 0.03 0.00 0.04 0.00 0.00 32.58 32.26 2kj6 s HIS 3 CO 0.00 -0.95 1.08 -1.01 -2.34 0.00 0.00 174.74 171.51 2kj6 s HIS 4 N 2.04 3.10 -0.38 3.88 0.09 -1.26 -5.02 115.29 117.73 2kj6 s HIS 4 Ca 0.12 1.25 0.10 0.00 -0.00 0.00 0.00 55.06 56.53 2kj6 s HIS 4 Cb -0.14 -2.98 0.31 0.00 -0.00 0.00 0.00 32.58 29.77 2kj6 s HIS 4 CO -0.21 -1.37 0.67 1.58 -0.00 0.00 0.00 174.74 175.41 2kj6 n HIS 5 N -3.18 -0.24 -4.03 1.40 -0.00 -1.26 -5.09 115.22 102.82 2kj6 n HIS 5 Ca 0.07 -3.60 -0.31 0.00 -0.00 0.00 0.00 57.72 53.87 2kj6 n HIS 5 Cb 0.55 -0.26 -0.15 0.00 -0.00 0.00 0.00 29.99 30.13 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 -1.79 3.60 0.28 1.57 2.46 -1.26 -5.07 115.29 115.08 2kj6 s HIS 6 Ca 0.37 -2.76 0.06 0.00 0.47 0.00 0.00 55.06 53.20 2kj6 s HIS 6 Cb 0.28 -2.61 -0.02 0.00 -0.13 0.00 0.00 32.58 30.10 2kj6 s HIS 6 CO -0.09 -0.93 0.23 0.72 -2.47 0.00 0.00 174.74 172.20 2kj6 n HIS 7 N 4.32 -0.60 -3.34 3.88 8.25 -1.26 -5.12 115.22 121.35 2kj6 n HIS 7 Ca -0.02 -2.32 -0.25 0.00 -0.26 0.00 0.00 57.72 54.87 2kj6 n HIS 7 Cb 0.42 0.22 -0.09 0.00 1.12 0.00 0.00 29.99 31.66 2kj6 n HIS 7 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kj6 n HIS 8 N -0.54 -1.13 -3.32 4.41 -0.00 -1.26 -5.07 115.22 108.31 2kj6 n HIS 8 Ca 0.06 -3.18 -0.46 0.00 -0.00 0.00 0.00 57.72 54.14 2kj6 n HIS 8 Cb 0.50 0.34 -0.05 0.00 -0.00 0.00 0.00 29.99 30.78 2kj6 n HIS 8 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kj6 s SER 9 N 0.08 6.20 -0.42 0.41 0.15 -1.26 -5.02 113.70 113.84 2kj6 s SER 9 Ca 0.33 -1.84 -0.28 0.00 0.70 0.00 0.00 55.95 54.86 2kj6 s SER 9 Cb 0.04 -2.20 -0.02 0.00 -1.71 0.00 0.00 66.02 62.13 2kj6 s SER 9 CO -0.19 -0.84 1.84 -2.28 1.20 0.00 0.00 173.24 172.97 2kj6 s HIS 10 N 1.52 1.74 0.00 3.44 2.46 -1.26 -2.95 115.29 120.24 2kj6 s HIS 10 Ca 0.04 0.72 0.00 0.00 0.47 0.00 0.00 55.06 56.29 2kj6 s HIS 10 Cb -0.29 -4.09 0.00 0.00 -0.13 0.00 0.00 32.58 28.07 2kj6 s HIS 10 CO 0.02 -2.73 0.00 0.41 -2.47 0.00 0.00 174.74 169.97 2kj6 n GLY 11 N 5.52 1.52 3.66 1.59 0.00 -1.26 -4.92 105.19 111.29 2kj6 n GLY 11 Ca 0.23 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.62 -4.57 1.61 2.03 -1.15 -4.86 116.55 104.99 2kj6 n ASP 12 Ca 0.00 -0.64 -0.37 0.00 0.52 0.00 0.00 54.79 54.30 2kj6 n ASP 12 Cb 0.00 -4.66 -0.03 0.00 -0.72 0.00 0.00 41.12 35.71 2kj6 n ASP 12 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kj6 s ASP 13 N -3.63 6.12 0.21 1.67 1.11 -1.26 -4.86 116.67 116.04 2kj6 s ASP 13 Ca 0.43 -1.74 -0.17 0.00 0.18 0.00 0.00 52.55 51.25 2kj6 s ASP 13 Cb -0.20 -2.58 0.02 0.00 1.07 0.00 0.00 42.92 41.24 2kj6 s ASP 13 CO 0.76 -1.89 0.54 -0.44 1.18 0.00 0.00 175.17 175.32 2kj6 s SER 14 N 5.47 -0.23 -0.17 0.27 0.01 -1.26 -4.56 113.70 113.22 2kj6 s SER 14 Ca 0.57 -0.56 -0.18 0.00 1.31 0.00 0.00 55.95 57.09 2kj6 s SER 14 Cb 0.00 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.79 2kj6 s SER 14 CO 0.03 -1.09 0.48 0.68 0.41 0.00 0.00 173.24 173.75 2kj6 s VAL 15 N -3.90 5.15 -0.95 3.43 -7.23 0.06 -4.85 120.40 112.11 2kj6 s VAL 15 Ca 0.11 0.91 -0.18 0.00 -1.81 0.00 0.00 61.98 61.02 2kj6 s VAL 15 Cb -0.01 -3.81 0.14 0.00 0.56 0.00 0.00 36.38 33.25 2kj6 s VAL 15 CO -0.00 0.24 1.12 -1.00 -0.31 0.00 0.00 175.10 175.15 2kj6 s HIS 16 N 1.24 3.21 -0.49 2.82 3.76 -1.26 -2.77 115.29 121.81 2kj6 s HIS 16 Ca 0.24 -1.51 -0.23 0.00 -0.15 0.00 0.00 55.06 53.41 2kj6 s HIS 16 Cb -0.15 -4.24 0.03 0.00 1.11 0.00 0.00 32.58 29.33 2kj6 s HIS 16 CO 0.09 -1.44 0.80 -0.51 -0.85 0.00 0.00 174.74 172.84 2kj6 s LEU 17 N 2.37 4.32 -0.11 0.89 1.43 -1.13 -2.85 118.68 123.59 2kj6 s LEU 17 Ca 0.32 -0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 52.82 2kj6 s LEU 17 Cb -0.05 -2.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 2kj6 s LEU 17 CO -0.09 -1.00 1.02 -1.00 0.23 0.00 0.00 176.35 175.51 2kj6 s HIS 18 N 3.38 3.49 -0.21 0.29 3.76 -0.49 0.53 115.29 126.04 2kj6 s HIS 18 Ca 0.28 1.57 -0.24 0.00 -0.15 0.00 0.00 55.06 56.52 2kj6 s HIS 18 Cb -0.13 -3.20 -0.01 0.00 1.11 0.00 0.00 32.58 30.34 2kj6 s HIS 18 CO 0.20 -0.29 0.79 0.42 -0.85 0.00 0.00 174.74 175.01 2kj6 s ILE 19 N 2.06 4.89 -0.37 0.60 1.01 -0.97 -0.19 121.20 128.23 2kj6 s ILE 19 Ca 0.49 1.52 -0.05 0.00 0.00 0.00 0.00 60.65 62.61 2kj6 s ILE 19 Cb -0.18 -4.09 0.07 0.00 0.01 0.00 0.00 42.46 38.27 2kj6 s ILE 19 CO 0.18 -0.00 0.15 -0.89 0.00 0.00 0.00 174.94 174.37 2kj6 s THR 20 N 2.42 3.55 0.35 2.92 2.01 0.13 -4.59 115.64 122.42 2kj6 s THR 20 Ca 0.35 -1.55 -0.20 0.00 0.31 0.00 0.00 61.69 60.59 2kj6 s THR 20 Cb -0.16 -3.19 -0.10 0.00 0.01 0.00 0.00 72.50 69.06 2kj6 s THR 20 CO 0.10 -0.41 0.85 -2.28 -0.69 0.00 0.00 174.62 172.19 2kj6 s HIS 21 N 1.29 3.46 -0.03 4.92 2.46 -1.24 -0.41 115.29 125.74 2kj6 s HIS 21 Ca 0.02 1.50 -0.08 0.00 0.47 0.00 0.00 55.06 56.96 2kj6 s HIS 21 Cb -0.21 -2.74 -0.05 0.00 -0.13 0.00 0.00 32.58 29.45 2kj6 s HIS 21 CO -0.01 0.08 0.48 0.00 -2.47 0.00 0.00 174.74 172.83 2kj6 h ALA 22 N 2.50 -0.44 -0.15 1.58 0.00 -1.79 -3.33 119.26 117.63 2kj6 h ALA 22 Ca -0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2kj6 h ALA 22 Cb 1.18 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2kj6 h ALA 22 CO 0.64 -0.42 0.04 -0.91 0.00 0.00 0.00 179.25 178.60 2kj6 h ASN 23 N -0.69 0.22 -2.27 0.00 2.35 -1.95 -3.33 115.58 109.90 2kj6 h ASN 23 Ca -0.03 -0.21 -0.67 0.00 -0.55 0.00 0.00 56.30 54.84 2kj6 h ASN 23 Cb 0.23 -0.06 -0.16 0.00 0.05 0.00 0.00 38.32 38.38 2kj6 h ASN 23 CO 0.05 0.37 0.87 -0.76 -1.65 0.00 0.00 177.43 176.31 2kj6 s LEU 24 N -9.75 4.74 0.22 1.61 1.02 -1.26 -4.88 118.68 110.38 2kj6 s LEU 24 Ca -0.14 -1.79 -0.06 0.00 0.02 0.00 0.00 54.13 52.16 2kj6 s LEU 24 Cb 0.06 -2.42 0.19 0.00 0.02 0.00 0.00 46.19 44.04 2kj6 s LEU 24 CO 0.70 -1.18 1.73 0.07 0.02 0.00 0.00 176.35 177.69 2kj6 h LYS 25 N 9.08 1.03 -3.80 1.70 2.10 -1.68 -3.29 116.57 121.71 2kj6 h LYS 25 Ca 0.09 -0.26 -0.79 0.00 -2.00 0.00 0.00 60.65 57.69 2kj6 h LYS 25 Cb 1.03 -0.13 -0.26 0.00 -0.90 0.00 0.00 32.23 31.97 2kj6 h LYS 25 CO 1.16 0.94 0.65 0.43 -2.00 0.00 0.00 179.45 180.63 2kj6 n SER 26 N -4.22 5.47 -4.34 7.07 7.64 -1.26 -4.66 113.62 119.32 2kj6 n SER 26 Ca 0.04 -3.03 -0.46 0.00 1.01 0.00 0.00 58.87 56.43 2kj6 n SER 26 Cb 0.28 -1.42 -0.04 0.00 -1.01 0.00 0.00 64.21 62.02 2kj6 n SER 26 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2kj6 s PHE 27 N -0.73 3.41 -1.26 1.43 5.36 -1.25 -4.98 117.98 119.96 2kj6 s PHE 27 Ca 0.33 -1.53 -0.15 0.00 -0.96 0.00 0.00 56.93 54.62 2kj6 s PHE 27 Cb -0.08 -3.88 0.13 0.00 -0.34 0.00 0.00 43.02 38.84 2kj6 s PHE 27 CO -0.06 -1.09 1.61 0.43 -1.46 0.00 0.00 175.22 174.64 2kj6 n SER 28 N 5.01 5.06 -3.29 6.13 7.64 -1.26 -4.68 113.62 128.22 2kj6 n SER 28 Ca 0.01 -2.96 0.02 0.00 1.01 0.00 0.00 58.87 56.96 2kj6 n SER 28 Cb 0.44 -1.64 -0.02 0.00 -1.01 0.00 0.00 64.21 61.98 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 2.63 -2.19 -0.14 -0.43 0.00 -1.26 -5.12 121.76 115.26 2kj6 s ALA 29 Ca 0.47 1.98 -0.15 0.00 0.00 0.00 0.00 51.96 54.26 2kj6 s ALA 29 Cb 0.01 -2.05 -0.05 0.00 0.00 0.00 0.00 23.12 21.03 2kj6 s ALA 29 CO 0.03 -1.22 0.36 0.16 0.00 0.00 0.00 175.76 175.10 2kj6 s ASP 30 N 2.87 6.54 -1.03 0.00 -4.77 -1.26 -2.30 116.67 116.72 2kj6 s ASP 30 Ca 0.13 0.64 -0.19 0.00 -3.30 0.00 0.00 52.55 49.84 2kj6 s ASP 30 Cb -0.14 -2.22 0.12 0.00 -1.09 0.00 0.00 42.92 39.58 2kj6 s ASP 30 CO -0.20 0.08 1.30 0.00 0.70 0.00 0.00 175.17 177.04 2kj6 s ALA 31 N 0.42 3.35 -0.37 2.11 0.00 0.19 -4.82 121.76 122.64 2kj6 s ALA 31 Ca 0.20 -2.79 -0.22 0.00 0.00 0.00 0.00 51.96 49.15 2kj6 s ALA 31 Cb -0.14 -4.21 0.01 0.00 0.00 0.00 0.00 23.12 18.78 2kj6 s ALA 31 CO 0.07 -3.09 0.73 -0.98 0.00 0.00 0.00 175.76 172.48 2kj6 s ARG 32 N 3.05 3.69 0.25 0.00 1.70 -1.25 -2.84 118.95 123.56 2kj6 s ARG 32 Ca 0.39 0.18 0.09 0.00 -0.47 0.00 0.00 55.73 55.92 2kj6 s ARG 32 Cb -0.03 -3.82 -0.05 0.00 -0.57 0.00 0.00 34.95 30.48 2kj6 s ARG 32 CO -0.06 -0.83 -0.13 -0.06 -1.08 0.00 0.00 175.30 173.13 2kj6 s PHE 33 N 2.97 1.98 0.26 5.89 0.08 -1.11 -4.84 117.98 123.21 2kj6 s PHE 33 Ca 0.29 -0.54 -0.31 0.00 0.12 0.00 0.00 56.93 56.50 2kj6 s PHE 33 Cb -0.14 -0.97 -0.13 0.00 -0.57 0.00 0.00 43.02 41.21 2kj6 s PHE 33 CO 0.17 0.45 1.42 0.43 -0.10 0.00 0.00 175.22 177.58 2kj6 n SER 34 N -0.53 2.92 0.09 1.36 7.64 -1.26 -0.76 113.62 123.09 2kj6 n SER 34 Ca -0.06 1.15 0.07 0.00 1.01 0.00 0.00 58.87 61.04 2kj6 n SER 34 Cb 0.61 -1.46 0.36 0.00 -1.01 0.00 0.00 64.21 62.71 2kj6 n SER 34 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2kj6 n PRO 35 N 1.82 0.09 0.00 1.43 -0.02 -1.26 -0.69 135.00 136.37 2kj6 n PRO 35 Ca 0.10 0.55 0.14 0.00 -2.02 0.00 0.00 63.50 62.26 2kj6 n PRO 35 Cb 0.33 -1.76 0.50 0.00 -0.02 0.00 0.00 33.50 32.55 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 -1.94 1.00 -2.97 -0.52 6.02 -1.26 0.04 117.38 117.76 2kj6 n GLN 36 Ca -0.00 -0.51 -0.39 0.00 -0.01 0.00 0.00 57.00 56.08 2kj6 n GLN 36 Cb 0.05 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.76 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 -2.35 4.59 0.28 -1.09 1.75 0.14 -4.42 119.30 118.20 2kj6 s MET 37 Ca 0.30 1.18 0.06 0.00 -1.25 0.00 0.00 55.69 55.98 2kj6 s MET 37 Cb 0.20 -3.26 -0.02 0.00 2.84 0.00 0.00 34.83 34.58 2kj6 s MET 37 CO 0.46 0.56 0.37 -1.54 -0.65 0.00 0.00 175.02 174.22 2kj6 s SER 38 N -1.13 5.97 0.22 1.11 1.04 -1.26 -3.29 113.70 116.36 2kj6 s SER 38 Ca 0.36 -0.13 0.22 0.00 0.48 0.00 0.00 55.95 56.88 2kj6 s SER 38 Cb -0.23 -1.48 0.93 0.00 0.10 0.00 0.00 66.02 65.33 2kj6 s SER 38 CO 0.27 -0.22 1.67 0.55 0.98 0.00 0.00 173.24 176.48 2kj6 n VAL 39 N -1.45 0.87 -0.01 5.02 3.14 -1.06 -2.03 118.33 122.81 2kj6 n VAL 39 Ca -0.05 0.26 0.09 0.00 -2.96 0.00 0.00 64.34 61.68 2kj6 n VAL 39 Cb 0.58 -1.17 0.49 0.00 -1.06 0.00 0.00 33.84 32.68 2kj6 n VAL 39 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2kj6 h GLU 40 N 0.00 0.40 0.00 1.45 4.81 -1.90 -2.65 114.58 116.68 2kj6 h GLU 40 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2kj6 h GLU 40 Cb 0.33 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.62 2kj6 h GLU 40 CO 0.00 0.26 0.00 0.00 -0.73 0.00 0.00 179.01 178.54 2kj6 n ALA 41 N -2.51 2.45 0.00 2.92 0.00 -0.86 -2.34 120.51 120.17 2kj6 n ALA 41 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2kj6 n ALA 41 Cb 0.23 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2kj6 n ALA 41 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2kj6 n VAL 42 N -0.58 0.00 0.41 0.00 3.14 -1.00 -4.65 118.33 115.66 2kj6 n VAL 42 Ca 0.03 -0.35 -0.18 0.00 -2.96 0.00 0.00 64.34 60.89 2kj6 n VAL 42 Cb 0.02 0.88 -0.09 0.00 -1.06 0.00 0.00 33.84 33.59 2kj6 n VAL 42 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2kj6 h LYS 43 N 0.00 -1.02 0.00 1.45 1.79 -1.50 -1.76 116.57 115.53 2kj6 h LYS 43 Ca 0.00 0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 58.45 2kj6 h LYS 43 Cb 0.00 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 2kj6 h LYS 43 CO 0.00 -0.66 -0.44 1.49 -1.08 0.00 0.00 179.45 178.75 2kj6 h GLU 44 N -1.18 0.00 -0.40 3.15 4.81 -1.88 -2.48 114.58 116.59 2kj6 h GLU 44 Ca -0.11 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 2kj6 h GLU 44 Cb 0.82 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 2kj6 h GLU 44 CO 0.18 0.44 0.01 -0.22 -0.73 0.00 0.00 179.01 178.69 2kj6 h LYS 45 N 0.00 0.70 -0.02 1.92 3.64 -1.80 -1.34 116.57 119.67 2kj6 h LYS 45 Ca -0.00 -0.22 -0.19 0.00 -1.27 0.00 0.00 60.65 58.97 2kj6 h LYS 45 Cb 1.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 2kj6 h LYS 45 CO 0.06 0.78 -0.81 -0.07 -2.27 0.00 0.00 179.45 177.14 2kj6 h LEU 46 N 0.53 0.33 -0.40 5.20 3.38 -1.29 -3.13 115.31 119.94 2kj6 h LEU 46 Ca 0.11 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2kj6 h LEU 46 Cb 0.46 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2kj6 h LEU 46 CO 0.02 1.01 0.21 -0.25 0.09 0.00 0.00 178.44 179.52 2kj6 h TRP 47 N 0.16 0.40 -0.01 1.13 7.01 -1.14 -1.79 115.95 121.71 2kj6 h TRP 47 Ca -0.04 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.98 2kj6 h TRP 47 Cb 1.41 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 28.35 2kj6 h TRP 47 CO 0.03 0.22 0.00 0.36 -2.79 0.00 0.00 178.44 176.26 2kj6 n LYS 48 N -4.90 1.17 -0.06 2.65 2.85 -0.53 -1.30 118.16 118.04 2kj6 n LYS 48 Ca 0.01 -0.24 -0.03 0.00 -1.05 0.00 0.00 58.31 57.00 2kj6 n LYS 48 Cb 0.08 -1.48 -0.01 0.00 -0.65 0.00 0.00 35.03 32.97 2kj6 n LYS 48 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2kj6 h LYS 49 N 0.58 0.00 -0.19 -1.58 3.64 -1.27 -3.42 116.57 114.33 2kj6 h LYS 49 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kj6 h LYS 49 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2kj6 h LYS 49 CO 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 2kj6 n GLY 51 N 0.38 -0.38 3.21 0.00 0.00 -0.42 -5.01 105.19 102.97 2kj6 n GLY 51 Ca 0.08 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 2kj6 n GLY 51 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kj6 s THR 52 N -3.35 0.97 0.12 2.61 -1.32 -1.22 -5.07 115.64 108.37 2kj6 s THR 52 Ca 0.08 -1.93 -0.05 0.00 -1.21 0.00 0.00 61.69 58.59 2kj6 s THR 52 Cb -0.04 -1.69 -0.05 0.00 -1.51 0.00 0.00 72.50 69.21 2kj6 s THR 52 CO 0.73 -0.75 0.35 -0.44 -2.21 0.00 0.00 174.62 172.29 2kj6 s SER 53 N -2.97 6.48 0.38 8.08 0.01 -1.26 -4.24 113.70 120.18 2kj6 s SER 53 Ca 0.13 0.56 0.27 0.00 1.31 0.00 0.00 55.95 58.22 2kj6 s SER 53 Cb 0.02 -2.08 1.29 0.00 0.21 0.00 0.00 66.02 65.46 2kj6 s SER 53 CO -0.01 0.09 1.82 -0.37 0.41 0.00 0.00 173.24 175.18 2kj6 h VAL 54 N 2.19 0.00 0.00 3.43 -1.51 -1.92 0.30 116.25 118.74 2kj6 h VAL 54 Ca -0.46 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 2kj6 h VAL 54 Cb 1.17 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 2kj6 h VAL 54 CO 0.72 0.00 -0.14 -1.13 -1.23 0.00 0.00 177.57 175.80 2kj6 h ASN 55 N 0.00 0.00 -0.11 4.19 -1.24 -2.02 -3.12 115.58 113.27 2kj6 h ASN 55 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2kj6 h ASN 55 Cb 0.22 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.27 2kj6 h ASN 55 CO 0.00 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 174.94 2kj6 n SER 56 N -2.91 1.81 -3.94 1.15 7.64 0.09 -4.62 113.62 112.84 2kj6 n SER 56 Ca 0.04 -1.66 -0.31 0.00 1.01 0.00 0.00 58.87 57.95 2kj6 n SER 56 Cb 0.52 -0.07 -0.15 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.87 1.42 -0.35 1.43 -2.45 -1.18 -4.83 119.30 111.47 2kj6 s MET 57 Ca 0.35 -1.87 -0.29 0.00 -1.25 0.00 0.00 55.69 52.62 2kj6 s MET 57 Cb 0.19 -2.98 -0.00 0.00 1.25 0.00 0.00 34.83 33.29 2kj6 s MET 57 CO 0.30 -0.99 1.50 0.00 1.05 0.00 0.00 175.02 176.88 2kj6 s ALA 58 N 0.80 3.09 -0.33 4.11 0.00 -1.26 -4.95 121.76 123.21 2kj6 s ALA 58 Ca 0.12 0.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 2kj6 s ALA 58 Cb -0.20 -3.92 0.06 0.00 0.00 0.00 0.00 23.12 19.06 2kj6 s ALA 58 CO -0.09 -2.29 0.06 -0.51 0.00 0.00 0.00 175.76 172.94 2kj6 s LEU 59 N 5.54 4.29 -0.75 0.00 1.43 -1.26 -1.36 118.68 126.57 2kj6 s LEU 59 Ca 0.66 -1.44 -0.19 0.00 -1.03 0.00 0.00 54.13 52.13 2kj6 s LEU 59 Cb -0.17 -1.76 0.12 0.00 0.03 0.00 0.00 46.19 44.40 2kj6 s LEU 59 CO 0.31 -0.34 0.93 -1.61 0.23 0.00 0.00 176.35 175.87 2kj6 s GLU 60 N 1.25 3.31 -0.72 1.70 2.02 0.36 -4.88 118.70 121.73 2kj6 s GLU 60 Ca -0.01 -1.47 -0.27 0.00 0.02 0.00 0.00 54.97 53.24 2kj6 s GLU 60 Cb -0.20 -4.51 0.03 0.00 0.10 0.00 0.00 34.13 29.55 2kj6 s GLU 60 CO -0.01 -1.67 1.30 -1.17 0.02 0.00 0.00 175.26 173.73 2kj6 s LEU 61 N 2.78 3.19 0.42 1.80 2.96 -1.25 -1.51 118.68 127.07 2kj6 s LEU 61 Ca 0.22 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.73 2kj6 s LEU 61 Cb -0.14 -2.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 2kj6 s LEU 61 CO 0.00 -1.84 0.68 -0.31 -1.32 0.00 0.00 176.35 173.56 2kj6 s TYR 62 N 5.82 3.51 0.11 5.38 2.02 0.03 -1.52 117.35 132.71 2kj6 s TYR 62 Ca 0.37 0.57 -0.19 0.00 -0.37 0.00 0.00 57.07 57.45 2kj6 s TYR 62 Cb -0.08 -2.13 -0.06 0.00 -0.40 0.00 0.00 41.96 39.29 2kj6 s TYR 62 CO 0.16 -0.11 1.72 0.38 -1.57 0.00 0.00 175.55 176.12 2kj6 h ASP 63 N 0.46 0.29 0.00 2.29 2.03 -0.71 -1.18 116.42 119.61 2kj6 h ASP 63 Ca -0.48 -0.08 0.00 0.00 -0.73 0.00 0.00 57.03 55.74 2kj6 h ASP 63 Cb 1.21 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 2kj6 h ASP 63 CO 0.61 0.29 0.00 -0.67 -1.03 0.00 0.00 179.24 178.44 2kj6 n ASP 64 N -4.87 0.00 0.02 4.15 2.03 -1.26 -4.00 116.55 112.63 2kj6 n ASP 64 Ca -0.03 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.09 2kj6 n ASP 64 Cb 0.07 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.36 2kj6 n ASP 64 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2kj6 h SER 65 N 0.00 0.72 0.00 1.67 0.02 -1.94 -3.48 113.55 110.53 2kj6 h SER 65 Ca 0.00 -0.76 0.00 0.00 -0.84 0.00 0.00 61.79 60.19 2kj6 h SER 65 Cb 0.00 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.32 2kj6 h SER 65 CO 0.00 1.38 0.00 0.61 -1.14 0.00 0.00 176.83 177.68 2kj6 n GLY 66 N 1.09 -0.42 3.68 -3.77 0.00 -1.26 -5.13 105.19 99.38 2kj6 n GLY 66 Ca -0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 2kj6 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kj6 s SER 67 N 0.00 6.76 -0.01 1.61 0.01 -1.26 -4.86 113.70 115.95 2kj6 s SER 67 Ca 0.00 0.92 -0.30 0.00 1.31 0.00 0.00 55.95 57.88 2kj6 s SER 67 Cb 0.00 -2.36 -0.06 0.00 0.21 0.00 0.00 66.02 63.81 2kj6 s SER 67 CO 0.00 -0.23 1.48 -1.59 0.41 0.00 0.00 173.24 173.30 2kj6 s LYS 68 N 1.64 4.24 -0.11 12.44 -2.85 -1.26 0.04 119.74 133.88 2kj6 s LYS 68 Ca 0.31 2.04 0.15 0.00 -1.00 0.00 0.00 55.97 57.47 2kj6 s LYS 68 Cb -0.16 -3.67 0.49 0.00 -2.06 0.00 0.00 37.83 32.42 2kj6 s LYS 68 CO 0.12 -0.66 1.40 1.33 0.10 0.00 0.00 175.35 177.64 2kj6 n VAL 69 N 4.89 1.80 -2.40 1.79 0.24 -0.57 -4.85 118.33 119.21 2kj6 n VAL 69 Ca 0.14 -1.47 -0.43 0.00 -2.04 0.00 0.00 64.34 60.55 2kj6 n VAL 69 Cb 0.43 0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 2kj6 n VAL 69 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kj6 n ALA 70 N 0.10 4.00 0.15 2.33 0.00 -1.25 -4.66 120.51 121.19 2kj6 n ALA 70 Ca 0.19 -3.87 0.00 0.00 0.00 0.00 0.00 53.44 49.76 2kj6 n ALA 70 Cb 0.74 -3.58 0.26 0.00 0.00 0.00 0.00 19.45 16.87 2kj6 n ALA 70 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2kj6 h VAL 71 N 5.20 1.34 -5.76 0.00 3.04 -1.96 -3.48 116.25 114.63 2kj6 h VAL 71 Ca 0.47 -1.64 -0.14 0.00 -1.01 0.00 0.00 66.70 64.38 2kj6 h VAL 71 Cb 0.82 1.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.97 2kj6 h VAL 71 CO 1.55 0.47 -0.44 -0.11 -1.01 0.00 0.00 177.57 178.03 2kj6 n LEU 72 N -3.97 -5.58 0.00 3.16 -0.00 -1.26 -4.94 117.00 104.40 2kj6 n LEU 72 Ca -0.02 -0.16 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 2kj6 n LEU 72 Cb 0.50 -2.82 0.00 0.00 -0.00 0.00 0.00 43.42 41.10 2kj6 n LEU 72 CO 0.41 -0.94 0.12 -0.24 -0.00 0.00 0.00 177.39 176.74 2kj6 n SER 73 N -1.55 0.37 -0.54 1.96 2.88 -1.26 -4.81 113.62 110.67 2kj6 n SER 73 Ca -0.06 -1.05 0.07 0.00 -1.33 0.00 0.00 58.87 56.50 2kj6 n SER 73 Cb 0.55 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.20 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 -0.03 2.60 -0.26 -3.46 9.92 -1.26 -4.76 116.55 119.30 2kj6 n ASP 74 Ca 0.00 -3.35 0.03 0.00 -0.53 0.00 0.00 54.79 50.94 2kj6 n ASP 74 Cb 0.21 -0.51 0.16 0.00 -0.64 0.00 0.00 41.12 40.34 2kj6 n ASP 74 CO 0.00 0.00 0.00 -2.24 0.13 0.00 0.00 177.20 175.09 2kj6 h ASP 75 N 0.77 0.50 -0.60 -2.24 2.03 -2.00 -1.27 116.42 113.61 2kj6 h ASP 75 Ca 0.04 0.06 -0.25 0.00 -0.73 0.00 0.00 57.03 56.16 2kj6 h ASP 75 Cb 1.21 -0.02 -0.15 0.00 -0.83 0.00 0.00 39.33 39.54 2kj6 h ASP 75 CO 0.12 0.27 0.21 -1.54 -1.03 0.00 0.00 179.24 177.27 2kj6 n SER 76 N -4.85 3.64 -4.22 4.15 3.41 -1.26 -2.57 113.62 111.91 2kj6 n SER 76 Ca 0.12 -3.47 -0.17 0.00 -0.26 0.00 0.00 58.87 55.09 2kj6 n SER 76 Cb 0.30 -0.70 -0.11 0.00 -0.26 0.00 0.00 64.21 63.44 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 -3.13 0.97 0.12 4.33 0.52 -0.48 -4.98 118.95 116.30 2kj6 s ARG 77 Ca 0.50 -1.21 -0.31 0.00 -0.52 0.00 0.00 55.73 54.19 2kj6 s ARG 77 Cb 0.42 -0.81 -0.08 0.00 0.52 0.00 0.00 34.95 35.00 2kj6 s ARG 77 CO 0.08 0.15 1.45 -1.25 0.02 0.00 0.00 175.30 175.75 2kj6 s PRO 78 N -2.67 4.28 0.39 3.54 0.04 -1.26 -4.20 135.00 135.13 2kj6 s PRO 78 Ca 0.08 2.17 0.10 0.00 0.04 0.00 0.00 61.00 63.38 2kj6 s PRO 78 Cb -0.05 -3.25 0.80 0.00 0.04 0.00 0.00 34.50 32.05 2kj6 s PRO 78 CO 0.02 -0.51 1.93 1.25 0.04 0.00 0.00 177.00 179.74 2kj6 h LEU 79 N 6.96 0.24 -1.66 -3.56 5.85 -1.33 -2.29 115.31 119.51 2kj6 h LEU 79 Ca -0.42 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2kj6 h LEU 79 Cb 1.21 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2kj6 h LEU 79 CO 0.88 0.37 0.00 1.23 -0.34 0.00 0.00 178.44 180.58 2kj6 h GLY 80 N 0.70 0.00 2.00 3.75 0.00 -0.71 -1.86 103.07 106.96 2kj6 h GLY 80 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 2kj6 h GLY 80 CO 0.02 0.00 -0.52 -2.75 0.00 0.00 0.00 176.54 173.29 2kj6 h PHE 81 N 0.00 0.00 0.00 5.60 3.57 -1.61 -3.15 116.94 121.35 2kj6 h PHE 81 Ca 0.00 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 2kj6 h PHE 81 Cb 0.34 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2kj6 h PHE 81 CO 0.00 0.52 -0.51 0.35 -2.23 0.00 0.00 178.31 176.44 2kj6 h PHE 82 N 0.00 0.00 -4.87 0.41 3.57 -1.44 -3.48 116.94 111.13 2kj6 h PHE 82 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2kj6 h PHE 82 Cb 1.23 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.97 2kj6 h PHE 82 CO 0.00 0.51 -0.04 0.45 -2.23 0.00 0.00 178.31 177.00 2kj6 n SER 83 N -3.46 -6.61 -2.62 0.41 2.88 -1.19 -5.07 113.62 97.97 2kj6 n SER 83 Ca 0.00 -0.01 -0.04 0.00 -1.33 0.00 0.00 58.87 57.49 2kj6 n SER 83 Cb 0.63 -4.42 0.02 0.00 -0.75 0.00 0.00 64.21 59.69 2kj6 n SER 83 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2kj6 n PRO 84 N -1.48 0.80 -3.18 -1.46 -0.04 -1.26 -5.09 135.00 123.29 2kj6 n PRO 84 Ca 0.01 -0.66 -0.39 0.00 -0.04 0.00 0.00 63.50 62.42 2kj6 n PRO 84 Cb 0.49 -0.07 -0.05 0.00 -0.04 0.00 0.00 33.50 33.82 2kj6 n PRO 84 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2kj6 s PHE 85 N 0.05 3.56 -0.94 0.54 5.36 -1.26 -5.01 117.98 120.28 2kj6 s PHE 85 Ca 0.14 1.08 -0.22 0.00 -0.96 0.00 0.00 56.93 56.97 2kj6 s PHE 85 Cb -0.01 -2.67 0.08 0.00 -0.34 0.00 0.00 43.02 40.08 2kj6 s PHE 85 CO 0.09 0.15 1.29 0.34 -1.46 0.00 0.00 175.22 175.63 2kj6 s ASP 86 N 0.61 6.49 0.00 6.13 2.15 -1.26 -4.15 116.67 126.64 2kj6 s ASP 86 Ca 0.32 -1.53 0.00 0.00 0.43 0.00 0.00 52.55 51.76 2kj6 s ASP 86 Cb -0.17 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 2kj6 s ASP 86 CO 0.14 -1.38 0.00 0.61 -0.17 0.00 0.00 175.17 174.38 2kj6 n GLY 87 N 6.16 -0.02 3.84 2.66 0.00 -1.13 -4.85 105.19 111.84 2kj6 n GLY 87 Ca 0.24 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 2.85 -0.31 1.61 0.08 -1.25 -4.58 117.98 116.38 2kj6 s PHE 88 Ca 0.00 0.95 -0.05 0.00 0.12 0.00 0.00 56.93 57.96 2kj6 s PHE 88 Cb 0.00 -3.28 0.04 0.00 -0.57 0.00 0.00 43.02 39.21 2kj6 s PHE 88 CO 0.00 -1.84 0.05 1.03 -0.10 0.00 0.00 175.22 174.36 2kj6 s ARG 89 N -5.33 2.61 -1.01 0.44 1.81 -0.45 -1.40 118.95 115.63 2kj6 s ARG 89 Ca 0.61 -1.17 -0.17 0.00 -1.72 0.00 0.00 55.73 53.29 2kj6 s ARG 89 Cb -0.13 -3.32 0.15 0.00 -0.45 0.00 0.00 34.95 31.20 2kj6 s ARG 89 CO 0.52 -0.61 1.20 -0.51 -0.68 0.00 0.00 175.30 175.23 2kj6 s LEU 90 N 1.35 5.16 -0.60 2.53 1.43 0.74 -0.79 118.68 128.49 2kj6 s LEU 90 Ca -0.02 -2.39 -0.27 0.00 -1.03 0.00 0.00 54.13 50.41 2kj6 s LEU 90 Cb -0.19 -2.39 0.03 0.00 0.03 0.00 0.00 46.19 43.67 2kj6 s LEU 90 CO 0.01 -0.93 1.16 -2.28 0.23 0.00 0.00 176.35 174.54 2kj6 s HIS 91 N 2.16 2.58 -0.40 0.29 2.46 -0.57 0.18 115.29 122.00 2kj6 s HIS 91 Ca 0.35 0.25 -0.23 0.00 0.47 0.00 0.00 55.06 55.90 2kj6 s HIS 91 Cb -0.05 -4.46 0.02 0.00 -0.13 0.00 0.00 32.58 27.96 2kj6 s HIS 91 CO -0.07 -1.63 0.77 0.42 -2.47 0.00 0.00 174.74 171.77 2kj6 s ILE 92 N 4.91 4.70 0.02 0.89 1.01 0.46 -0.49 121.20 132.70 2kj6 s ILE 92 Ca 0.39 0.67 -0.30 0.00 0.00 0.00 0.00 60.65 61.40 2kj6 s ILE 92 Cb -0.09 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.08 2kj6 s ILE 92 CO 0.22 -0.55 1.36 -0.63 0.00 0.00 0.00 174.94 175.34 2kj6 s ILE 93 N 3.16 3.74 -0.91 2.92 -1.09 -0.46 -2.08 121.20 126.47 2kj6 s ILE 93 Ca 0.30 1.16 -0.23 0.00 -2.23 0.00 0.00 60.65 59.65 2kj6 s ILE 93 Cb -0.13 -3.74 0.06 0.00 -1.58 0.00 0.00 42.46 37.07 2kj6 s ILE 93 CO 0.19 0.02 1.32 -1.81 -1.23 0.00 0.00 174.94 173.44 2kj6 s ASP 94 N 1.64 6.42 -0.01 3.58 1.01 -1.26 -4.57 116.67 123.47 2kj6 s ASP 94 Ca 0.63 -1.28 0.02 0.00 0.71 0.00 0.00 52.55 52.62 2kj6 s ASP 94 Cb -0.31 -2.53 0.02 0.00 1.01 0.00 0.00 42.92 41.11 2kj6 s ASP 94 CO 0.27 -1.51 0.76 0.00 0.21 0.00 0.00 175.17 174.89 2kj6 n LEU 95 N 8.55 0.52 -4.62 1.23 -0.00 -1.26 -5.01 117.00 116.41 2kj6 n LEU 95 Ca 0.22 -0.82 -0.43 0.00 -0.00 0.00 0.00 56.01 54.98 2kj6 n LEU 95 Cb 0.50 -0.03 -0.03 0.00 -0.00 0.00 0.00 43.42 43.85 2kj6 n LEU 95 CO 0.65 0.20 0.79 -0.62 -0.00 0.00 0.00 177.39 178.40 2kj6 s ASP 96 N -0.64 6.76 0.00 1.45 2.15 -1.26 -5.11 116.67 120.02 2kj6 s ASP 96 Ca 0.03 0.75 0.21 0.00 0.43 0.00 0.00 52.55 53.97 2kj6 s ASP 96 Cb 0.02 -2.48 1.28 0.00 -0.30 0.00 0.00 42.92 41.44 2kj6 s ASP 96 CO 0.00 -0.81 1.66 -2.65 -0.17 0.00 0.00 175.17 173.20