#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj6 s GLY 2 N 0.00 1.45 -0.39 -5.12 0.00 -1.26 -5.09 107.32 96.92 2kj6 s GLY 2 Ca 0.00 -1.02 -0.27 0.00 0.00 0.00 0.00 44.72 43.43 2kj6 s GLY 2 CO 0.00 -0.78 0.99 0.30 0.00 0.00 0.00 173.10 173.61 2kj6 s HIS 3 N -0.62 3.03 -1.22 1.90 0.09 -1.26 -4.92 115.29 112.29 2kj6 s HIS 3 Ca 0.09 0.81 -0.07 0.00 -0.00 0.00 0.00 55.06 55.89 2kj6 s HIS 3 Cb -0.11 -3.82 -0.01 0.00 -0.00 0.00 0.00 32.58 28.64 2kj6 s HIS 3 CO 0.00 -0.91 2.78 0.72 -0.00 0.00 0.00 174.74 177.33 2kj6 n HIS 4 N 7.01 2.16 -1.90 1.40 -0.00 -1.26 -4.83 115.22 117.80 2kj6 n HIS 4 Ca 0.09 -2.71 -0.42 0.00 -0.00 0.00 0.00 57.72 54.68 2kj6 n HIS 4 Cb 0.48 -2.03 -0.00 0.00 -0.00 0.00 0.00 29.99 28.44 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 2.45 3.74 -3.15 4.41 -0.00 -1.26 -4.66 115.22 116.75 2kj6 n HIS 5 Ca 0.66 -2.92 0.05 0.00 0.46 0.00 0.00 57.72 55.97 2kj6 n HIS 5 Cb 0.34 -2.56 -0.02 0.00 -0.12 0.00 0.00 29.99 27.63 2kj6 n HIS 5 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kj6 s HIS 6 N 3.48 -0.50 0.59 1.57 2.46 -1.26 -5.17 115.29 116.46 2kj6 s HIS 6 Ca 0.49 0.51 -0.14 0.00 0.47 0.00 0.00 55.06 56.38 2kj6 s HIS 6 Cb 0.12 0.17 -0.04 0.00 -0.13 0.00 0.00 32.58 32.69 2kj6 s HIS 6 CO -0.05 -0.28 1.03 -1.01 -2.47 0.00 0.00 174.74 171.97 2kj6 s HIS 7 N 2.96 3.24 -0.31 3.88 4.02 -1.26 -4.96 115.29 122.86 2kj6 s HIS 7 Ca 0.01 1.45 -0.29 0.00 1.02 0.00 0.00 55.06 57.26 2kj6 s HIS 7 Cb -0.09 -2.88 -0.02 0.00 -1.02 0.00 0.00 32.58 28.57 2kj6 s HIS 7 CO -0.12 -0.85 1.73 -1.58 1.02 0.00 0.00 174.74 174.93 2kj6 s HIS 8 N -2.71 1.92 -0.78 1.40 5.65 -1.26 -4.87 115.29 114.64 2kj6 s HIS 8 Ca 0.60 0.60 -0.26 0.00 0.25 0.00 0.00 55.06 56.25 2kj6 s HIS 8 Cb -0.13 -4.12 -0.09 0.00 -1.18 0.00 0.00 32.58 27.05 2kj6 s HIS 8 CO 0.41 -2.88 2.22 -1.54 -0.65 0.00 0.00 174.74 172.30 2kj6 s SER 9 N 5.49 4.45 0.00 9.88 1.04 -1.26 -4.38 113.70 128.92 2kj6 s SER 9 Ca 0.77 -0.03 0.06 0.00 0.48 0.00 0.00 55.95 57.22 2kj6 s SER 9 Cb -0.22 -2.55 0.09 0.00 0.10 0.00 0.00 66.02 63.45 2kj6 s SER 9 CO 0.33 -3.29 0.94 1.57 0.98 0.00 0.00 173.24 173.76 2kj6 n HIS 10 N 16.43 0.00 -0.95 5.02 -0.00 -1.26 -4.95 115.22 129.52 2kj6 n HIS 10 Ca 0.41 -0.36 -0.17 0.00 -0.00 0.00 0.00 57.72 57.61 2kj6 n HIS 10 Cb 0.46 0.26 0.02 0.00 -0.00 0.00 0.00 29.99 30.74 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 0.11 4.04 0.19 1.57 0.00 -1.26 -4.38 105.19 105.46 2kj6 n GLY 11 Ca -0.13 -1.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.56 2kj6 n GLY 11 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2kj6 h ASP 12 N 1.66 0.83 -3.09 1.61 2.03 -1.97 -3.44 116.42 114.04 2kj6 h ASP 12 Ca 0.29 -0.73 -0.62 0.00 -0.73 0.00 0.00 57.03 55.24 2kj6 h ASP 12 Cb 0.90 -0.25 -0.10 0.00 -0.83 0.00 0.00 39.33 39.05 2kj6 h ASP 12 CO 0.73 1.45 -0.43 -0.62 -1.03 0.00 0.00 179.24 179.34 2kj6 s ASP 13 N -7.14 6.35 0.03 4.15 2.15 -1.26 -5.08 116.67 115.86 2kj6 s ASP 13 Ca -0.11 0.40 -0.18 0.00 0.43 0.00 0.00 52.55 53.10 2kj6 s ASP 13 Cb 0.06 -2.12 0.03 0.00 -0.30 0.00 0.00 42.92 40.60 2kj6 s ASP 13 CO 0.90 0.23 0.40 -0.44 -0.17 0.00 0.00 175.17 176.08 2kj6 s SER 14 N -0.07 -0.27 0.38 -0.34 0.01 -1.26 -4.37 113.70 107.78 2kj6 s SER 14 Ca 0.13 0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.32 2kj6 s SER 14 Cb -0.12 0.40 -0.07 0.00 0.21 0.00 0.00 66.02 66.44 2kj6 s SER 14 CO 0.02 -0.61 0.75 0.68 0.41 0.00 0.00 173.24 174.49 2kj6 s VAL 15 N -2.18 4.78 -0.81 3.43 -7.23 0.19 -4.76 120.40 113.82 2kj6 s VAL 15 Ca -0.07 0.66 -0.15 0.00 -1.81 0.00 0.00 61.98 60.61 2kj6 s VAL 15 Cb -0.02 -3.71 0.20 0.00 0.56 0.00 0.00 36.38 33.42 2kj6 s VAL 15 CO -0.00 -0.44 0.79 -1.00 -0.31 0.00 0.00 175.10 174.14 2kj6 s HIS 16 N -2.28 3.62 -0.36 2.82 3.76 -0.86 -1.78 115.29 120.21 2kj6 s HIS 16 Ca 0.51 -1.83 -0.29 0.00 -0.15 0.00 0.00 55.06 53.30 2kj6 s HIS 16 Cb -0.10 -3.88 0.01 0.00 1.11 0.00 0.00 32.58 29.72 2kj6 s HIS 16 CO 0.28 -1.07 1.21 -0.51 -0.85 0.00 0.00 174.74 173.81 2kj6 s LEU 17 N 0.67 3.80 -0.77 0.89 1.43 0.65 -4.14 118.68 121.21 2kj6 s LEU 17 Ca 0.18 0.94 -0.18 0.00 -1.03 0.00 0.00 54.13 54.04 2kj6 s LEU 17 Cb -0.11 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.70 2kj6 s LEU 17 CO -0.08 -1.11 0.90 -1.00 0.23 0.00 0.00 176.35 175.30 2kj6 s HIS 18 N 4.32 3.16 -0.14 0.29 3.76 -0.92 -0.72 115.29 125.03 2kj6 s HIS 18 Ca 0.52 -1.29 -0.29 0.00 -0.15 0.00 0.00 55.06 53.85 2kj6 s HIS 18 Cb -0.13 -4.10 -0.04 0.00 1.11 0.00 0.00 32.58 29.42 2kj6 s HIS 18 CO 0.24 -1.34 1.56 0.42 -0.85 0.00 0.00 174.74 174.77 2kj6 s ILE 19 N 2.32 3.76 -0.12 0.60 1.01 0.55 -0.53 121.20 128.79 2kj6 s ILE 19 Ca 0.22 0.90 0.02 0.00 0.00 0.00 0.00 60.65 61.79 2kj6 s ILE 19 Cb -0.13 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.69 2kj6 s ILE 19 CO -0.02 -0.17 -0.19 -0.89 0.00 0.00 0.00 174.94 173.66 2kj6 s THR 20 N 4.42 1.81 0.63 2.92 2.01 0.86 -0.73 115.64 127.55 2kj6 s THR 20 Ca 0.69 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.78 2kj6 s THR 20 Cb -0.28 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 70.63 2kj6 s THR 20 CO 0.27 0.50 0.96 -1.00 -0.69 0.00 0.00 174.62 174.66 2kj6 s HIS 21 N 0.84 3.25 -0.24 4.92 3.76 -1.03 -0.17 115.29 126.62 2kj6 s HIS 21 Ca -0.08 0.74 0.03 0.00 -0.15 0.00 0.00 55.06 55.60 2kj6 s HIS 21 Cb -0.15 -2.85 -0.19 0.00 1.11 0.00 0.00 32.58 30.50 2kj6 s HIS 21 CO -0.01 -0.95 -0.13 0.00 -0.85 0.00 0.00 174.74 172.81 2kj6 n ALA 22 N -2.71 1.40 0.05 -1.40 0.00 -0.72 -4.32 120.51 112.81 2kj6 n ALA 22 Ca 0.05 -1.09 -0.03 0.00 0.00 0.00 0.00 53.44 52.38 2kj6 n ALA 22 Cb 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 19.45 19.84 2kj6 n ALA 22 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2kj6 h ASN 23 N 0.01 -0.16 -2.29 0.00 -0.73 -1.87 -3.40 115.58 107.13 2kj6 h ASN 23 Ca -0.56 0.01 -0.66 0.00 1.87 0.00 0.00 56.30 56.96 2kj6 h ASN 23 Cb 1.96 0.04 -0.16 0.00 0.27 0.00 0.00 38.32 40.43 2kj6 h ASN 23 CO -0.06 0.11 0.85 -0.76 -0.37 0.00 0.00 177.43 177.21 2kj6 s LEU 24 N -6.95 4.66 0.41 0.34 1.43 -1.26 -4.84 118.68 112.46 2kj6 s LEU 24 Ca -0.03 -1.68 0.17 0.00 -1.03 0.00 0.00 54.13 51.56 2kj6 s LEU 24 Cb 0.00 -2.43 0.88 0.00 0.03 0.00 0.00 46.19 44.67 2kj6 s LEU 24 CO 0.09 -1.23 1.86 0.50 0.23 0.00 0.00 176.35 177.80 2kj6 h LYS 25 N 9.16 0.00 0.00 1.70 3.64 -1.78 -1.31 116.57 127.98 2kj6 h LYS 25 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2kj6 h LYS 25 Cb 1.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2kj6 h LYS 25 CO 1.17 0.31 0.00 0.77 -2.27 0.00 0.00 179.45 179.43 2kj6 h SER 26 N 0.00 0.00 -2.91 4.20 0.02 -1.90 -3.42 113.55 109.54 2kj6 h SER 26 Ca -0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 2kj6 h SER 26 Cb 0.63 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.12 2kj6 h SER 26 CO 0.04 0.00 1.11 0.12 -1.14 0.00 0.00 176.83 176.96 2kj6 s PHE 27 N -3.43 2.28 -0.12 3.45 5.36 -0.49 -4.95 117.98 120.07 2kj6 s PHE 27 Ca 0.03 0.54 -0.03 0.00 -0.96 0.00 0.00 56.93 56.51 2kj6 s PHE 27 Cb 0.09 -4.35 0.05 0.00 -0.34 0.00 0.00 43.02 38.46 2kj6 s PHE 27 CO 0.43 -2.01 0.05 -1.12 -1.46 0.00 0.00 175.22 171.11 2kj6 s SER 28 N 4.49 2.00 -0.25 6.13 0.01 -1.25 -2.48 113.70 122.35 2kj6 s SER 28 Ca 0.56 -0.37 -0.03 0.00 1.31 0.00 0.00 55.95 57.42 2kj6 s SER 28 Cb -0.12 -0.33 0.02 0.00 0.21 0.00 0.00 66.02 65.80 2kj6 s SER 28 CO 0.27 -0.28 -0.04 0.00 0.41 0.00 0.00 173.24 173.59 2kj6 s ALA 29 N 2.06 2.76 -0.66 1.44 0.00 0.09 -4.91 121.76 122.54 2kj6 s ALA 29 Ca 0.03 -1.41 -0.27 0.00 0.00 0.00 0.00 51.96 50.31 2kj6 s ALA 29 Cb -0.14 -1.75 0.03 0.00 0.00 0.00 0.00 23.12 21.27 2kj6 s ALA 29 CO -0.07 -0.76 1.19 0.34 0.00 0.00 0.00 175.76 176.47 2kj6 s ASP 30 N 1.37 6.29 -0.23 0.00 2.15 -1.26 -0.33 116.67 124.66 2kj6 s ASP 30 Ca 0.02 -0.28 -0.03 0.00 0.43 0.00 0.00 52.55 52.68 2kj6 s ASP 30 Cb -0.16 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 2kj6 s ASP 30 CO -0.04 -1.61 -0.05 0.00 -0.17 0.00 0.00 175.17 173.30 2kj6 s ALA 31 N 5.13 2.77 -0.34 3.66 0.00 0.10 -4.93 121.76 128.15 2kj6 s ALA 31 Ca 0.36 -1.25 -0.21 0.00 0.00 0.00 0.00 51.96 50.87 2kj6 s ALA 31 Cb -0.09 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.34 2kj6 s ALA 31 CO 0.19 -0.53 0.68 -0.98 0.00 0.00 0.00 175.76 175.12 2kj6 s ARG 32 N 1.44 3.77 0.00 0.00 1.70 -1.26 -0.25 118.95 124.35 2kj6 s ARG 32 Ca 0.05 0.21 0.03 0.00 -0.47 0.00 0.00 55.73 55.54 2kj6 s ARG 32 Cb -0.15 -3.78 -0.01 0.00 -0.57 0.00 0.00 34.95 30.44 2kj6 s ARG 32 CO -0.04 -0.72 -0.08 -0.06 -1.08 0.00 0.00 175.30 173.31 2kj6 s PHE 33 N 2.80 0.74 0.45 5.89 0.08 -0.73 -4.89 117.98 122.32 2kj6 s PHE 33 Ca 0.27 -0.18 -0.25 0.00 0.12 0.00 0.00 56.93 56.89 2kj6 s PHE 33 Cb -0.14 -0.47 -0.08 0.00 -0.57 0.00 0.00 43.02 41.77 2kj6 s PHE 33 CO 0.14 -0.01 1.33 -1.12 -0.10 0.00 0.00 175.22 175.46 2kj6 s SER 34 N -0.39 5.95 0.00 1.36 0.01 -1.26 -0.64 113.70 118.73 2kj6 s SER 34 Ca 0.02 2.71 0.07 0.00 1.31 0.00 0.00 55.95 60.06 2kj6 s SER 34 Cb -0.04 -2.64 0.34 0.00 0.21 0.00 0.00 66.02 63.89 2kj6 s SER 34 CO -0.00 -1.10 1.07 -0.81 0.41 0.00 0.00 173.24 172.81 2kj6 n PRO 35 N -0.28 0.09 0.08 12.44 -0.04 -1.26 -1.12 135.00 144.92 2kj6 n PRO 35 Ca 0.06 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 63.87 2kj6 n PRO 35 Cb 0.44 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.86 2kj6 n PRO 35 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2kj6 n GLN 36 N -1.29 0.18 -3.24 0.54 6.02 -1.26 0.20 117.38 118.53 2kj6 n GLN 36 Ca 0.03 0.21 -0.35 0.00 -0.01 0.00 0.00 57.00 56.89 2kj6 n GLN 36 Cb 0.05 -1.73 -0.06 0.00 1.02 0.00 0.00 30.24 29.52 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 -3.11 4.05 0.30 -1.09 1.75 -0.27 -4.71 119.30 116.21 2kj6 s MET 37 Ca 0.10 0.62 0.06 0.00 -1.25 0.00 0.00 55.69 55.23 2kj6 s MET 37 Cb 0.13 -2.79 -0.02 0.00 2.84 0.00 0.00 34.83 34.99 2kj6 s MET 37 CO 0.52 0.37 0.37 -1.54 -0.65 0.00 0.00 175.02 174.09 2kj6 s SER 38 N -1.87 5.87 0.31 1.11 1.04 -1.26 -2.44 113.70 116.45 2kj6 s SER 38 Ca 0.44 -0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.71 2kj6 s SER 38 Cb -0.14 -1.38 0.51 0.00 0.10 0.00 0.00 66.02 65.11 2kj6 s SER 38 CO 0.20 -0.26 1.79 0.58 0.98 0.00 0.00 173.24 176.53 2kj6 h VAL 39 N 1.12 1.23 -0.72 5.02 2.07 -1.46 -2.70 116.25 120.82 2kj6 h VAL 39 Ca -0.48 -1.05 0.13 0.00 0.82 0.00 0.00 66.70 66.13 2kj6 h VAL 39 Cb 1.25 1.18 -0.09 0.00 -1.52 0.00 0.00 31.29 32.10 2kj6 h VAL 39 CO 0.57 0.34 0.27 -0.08 0.02 0.00 0.00 177.57 178.69 2kj6 h GLU 40 N 0.45 0.40 -0.19 1.57 4.81 -0.99 0.14 114.58 120.77 2kj6 h GLU 40 Ca 0.08 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 2kj6 h GLU 40 Cb 0.52 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2kj6 h GLU 40 CO 0.03 0.27 -0.23 0.00 -0.73 0.00 0.00 179.01 178.35 2kj6 h ALA 41 N 1.52 1.26 -0.11 2.92 0.00 -1.76 -2.08 119.26 121.02 2kj6 h ALA 41 Ca 0.39 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 2kj6 h ALA 41 Cb 0.57 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.27 2kj6 h ALA 41 CO -0.39 0.49 -0.76 0.28 0.00 0.00 0.00 179.25 178.86 2kj6 h VAL 42 N 0.31 1.30 -0.07 0.00 2.07 -1.19 -3.20 116.25 115.47 2kj6 h VAL 42 Ca 0.05 -2.00 -0.01 0.00 0.82 0.00 0.00 66.70 65.56 2kj6 h VAL 42 Cb 0.58 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2kj6 h VAL 42 CO 0.04 0.62 -0.01 0.11 0.02 0.00 0.00 177.57 178.35 2kj6 h LYS 43 N 0.40 0.10 -0.39 1.57 1.57 -0.44 -2.26 116.57 117.13 2kj6 h LYS 43 Ca -0.06 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.78 2kj6 h LYS 43 Cb 1.41 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.63 2kj6 h LYS 43 CO 0.16 0.12 -0.06 1.49 -0.57 0.00 0.00 179.45 180.59 2kj6 h GLU 44 N 0.10 0.03 -0.24 3.15 4.81 -1.37 0.10 114.58 121.15 2kj6 h GLU 44 Ca 0.02 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 2kj6 h GLU 44 Cb 0.09 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2kj6 h GLU 44 CO 0.00 0.02 -0.32 0.87 -0.73 0.00 0.00 179.01 178.86 2kj6 h LYS 45 N 0.04 0.51 0.00 1.92 1.57 -1.53 -1.00 116.57 118.08 2kj6 h LYS 45 Ca 0.19 -0.22 -0.24 0.00 -1.87 0.00 0.00 60.65 58.51 2kj6 h LYS 45 Cb 0.28 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.58 2kj6 h LYS 45 CO -0.37 0.77 -0.97 -0.07 -0.57 0.00 0.00 179.45 178.24 2kj6 h LEU 46 N 0.44 0.62 0.66 2.94 3.38 -1.43 -2.98 115.31 118.93 2kj6 h LEU 46 Ca 0.05 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 2kj6 h LEU 46 Cb 0.77 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.34 2kj6 h LEU 46 CO 0.06 1.30 -0.32 -0.25 0.09 0.00 0.00 178.44 179.33 2kj6 h TRP 47 N 0.27 -0.82 0.00 1.13 7.01 -0.44 -3.06 115.95 120.04 2kj6 h TRP 47 Ca -0.09 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.89 2kj6 h TRP 47 Cb 1.61 0.27 0.00 0.00 -2.10 0.00 0.00 29.16 28.95 2kj6 h TRP 47 CO 0.07 -0.47 0.00 0.36 -2.79 0.00 0.00 178.44 175.61 2kj6 n LYS 48 N -5.40 0.25 0.08 2.65 2.85 -0.41 -0.55 118.16 117.64 2kj6 n LYS 48 Ca -0.12 0.11 -0.13 0.00 -1.05 0.00 0.00 58.31 57.12 2kj6 n LYS 48 Cb 0.37 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.19 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 0.00 0.30 0.00 -1.58 3.64 -1.43 -3.40 116.57 114.10 2kj6 h LYS 49 Ca 0.00 -0.38 -0.38 0.00 -1.27 0.00 0.00 60.65 58.62 2kj6 h LYS 49 Cb 0.20 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 2kj6 h LYS 49 CO 0.00 1.09 -2.29 0.00 -2.27 0.00 0.00 179.45 175.99 2kj6 n GLY 51 N 1.61 0.59 3.95 0.00 0.00 0.29 -5.07 105.19 106.56 2kj6 n GLY 51 Ca -0.45 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.00 5.21 0.28 2.61 2.01 -1.26 -5.06 115.64 117.43 2kj6 s THR 52 Ca 0.00 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 2kj6 s THR 52 Cb 0.00 -3.77 -0.13 0.00 0.01 0.00 0.00 72.50 68.61 2kj6 s THR 52 CO 0.00 -0.24 1.35 -1.20 -0.69 0.00 0.00 174.62 173.85 2kj6 n SER 53 N -1.04 2.73 0.26 3.53 7.64 -1.26 -4.87 113.62 120.61 2kj6 n SER 53 Ca -0.08 1.17 0.14 0.00 1.01 0.00 0.00 58.87 61.10 2kj6 n SER 53 Cb 0.56 -1.45 0.69 0.00 -1.01 0.00 0.00 64.21 63.00 2kj6 n SER 53 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2kj6 h VAL 54 N 2.82 0.42 0.00 0.44 3.04 -1.97 -1.41 116.25 119.58 2kj6 h VAL 54 Ca -0.45 -0.66 -0.10 0.00 -1.01 0.00 0.00 66.70 64.48 2kj6 h VAL 54 Cb 1.28 1.47 -0.01 0.00 -2.01 0.00 0.00 31.29 32.01 2kj6 h VAL 54 CO 0.70 0.12 -0.50 -1.13 -1.01 0.00 0.00 177.57 175.75 2kj6 h ASN 55 N 0.00 0.00 1.04 3.17 -1.24 -2.04 -3.00 115.58 113.51 2kj6 h ASN 55 Ca -0.00 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.94 2kj6 h ASN 55 Cb 0.46 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.50 2kj6 h ASN 55 CO 0.02 0.50 -0.33 0.28 -1.29 0.00 0.00 177.43 176.61 2kj6 h SER 56 N 0.00 0.00 -2.60 1.15 0.02 -1.62 -3.36 113.55 107.14 2kj6 h SER 56 Ca -0.00 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.21 2kj6 h SER 56 Cb 1.23 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.57 2kj6 h SER 56 CO 0.06 0.33 0.97 -0.32 -1.14 0.00 0.00 176.83 176.73 2kj6 s MET 57 N -3.48 3.94 0.05 3.45 -2.45 -1.13 -4.12 119.30 115.56 2kj6 s MET 57 Ca 0.01 -2.47 -0.20 0.00 -1.25 0.00 0.00 55.69 51.79 2kj6 s MET 57 Cb 0.10 -4.89 -0.06 0.00 1.25 0.00 0.00 34.83 31.22 2kj6 s MET 57 CO 0.68 -1.64 0.58 0.00 1.05 0.00 0.00 175.02 175.68 2kj6 s ALA 58 N 1.28 3.56 -0.16 4.11 0.00 -1.26 -4.96 121.76 124.33 2kj6 s ALA 58 Ca 0.36 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.37 2kj6 s ALA 58 Cb -0.05 -2.67 0.02 0.00 0.00 0.00 0.00 23.12 20.42 2kj6 s ALA 58 CO -0.04 0.33 -0.16 -1.17 0.00 0.00 0.00 175.76 174.72 2kj6 s LEU 59 N -0.85 1.80 -0.46 0.00 0.20 -1.26 0.12 118.68 118.23 2kj6 s LEU 59 Ca 0.30 -0.53 -0.18 0.00 0.69 0.00 0.00 54.13 54.41 2kj6 s LEU 59 Cb -0.19 -1.26 0.04 0.00 -0.43 0.00 0.00 46.19 44.35 2kj6 s LEU 59 CO 0.19 -0.04 0.50 -1.61 -0.29 0.00 0.00 176.35 175.10 2kj6 s GLU 60 N 1.42 3.10 -1.01 1.98 0.41 0.19 -4.94 118.70 119.84 2kj6 s GLU 60 Ca 0.05 -0.87 -0.23 0.00 -0.41 0.00 0.00 54.97 53.50 2kj6 s GLU 60 Cb -0.13 -4.03 -0.02 0.00 -1.78 0.00 0.00 34.13 28.17 2kj6 s GLU 60 CO -0.11 -1.01 1.79 -1.17 -0.49 0.00 0.00 175.26 174.27 2kj6 s LEU 61 N 2.26 3.30 -0.27 1.80 2.96 -1.26 -1.62 118.68 125.84 2kj6 s LEU 61 Ca 0.12 -1.19 -0.15 0.00 -0.22 0.00 0.00 54.13 52.70 2kj6 s LEU 61 Cb -0.19 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.90 2kj6 s LEU 61 CO 0.12 -2.32 0.37 -0.31 -1.32 0.00 0.00 176.35 172.89 2kj6 s TYR 62 N 8.30 3.24 0.37 5.38 2.02 -0.82 -2.97 117.35 132.87 2kj6 s TYR 62 Ca 0.62 0.38 -0.25 0.00 -0.37 0.00 0.00 57.07 57.45 2kj6 s TYR 62 Cb -0.03 -2.57 -0.09 0.00 -0.40 0.00 0.00 41.96 38.86 2kj6 s TYR 62 CO -0.01 -0.24 1.02 0.34 -1.57 0.00 0.00 175.55 175.09 2kj6 s ASP 63 N 1.65 6.97 -1.56 2.29 2.15 -1.26 -0.14 116.67 126.76 2kj6 s ASP 63 Ca 0.15 1.98 -0.11 0.00 0.43 0.00 0.00 52.55 54.99 2kj6 s ASP 63 Cb -0.16 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.83 2kj6 s ASP 63 CO 0.10 -0.34 2.73 -0.67 -0.17 0.00 0.00 175.17 176.82 2kj6 n ASP 64 N 0.16 7.24 0.00 -0.34 2.03 -1.26 -3.35 116.55 121.03 2kj6 n ASP 64 Ca 0.04 -2.64 0.00 0.00 0.52 0.00 0.00 54.79 52.70 2kj6 n ASP 64 Cb 0.50 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 2kj6 n ASP 64 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kj6 n SER 65 N 4.35 3.51 0.00 1.67 7.64 -1.26 -5.08 113.62 124.45 2kj6 n SER 65 Ca 0.70 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.58 2kj6 n SER 65 Cb 0.28 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 2kj6 n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kj6 n GLY 66 N 2.96 1.66 3.97 0.23 0.00 -1.21 -5.13 105.19 107.67 2kj6 n GLY 66 Ca 0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 2kj6 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kj6 s SER 67 N 0.00 5.87 0.22 1.61 0.15 -1.26 -4.99 113.70 115.30 2kj6 s SER 67 Ca 0.00 0.02 -0.30 0.00 0.70 0.00 0.00 55.95 56.38 2kj6 s SER 67 Cb 0.00 -1.34 -0.09 0.00 -1.71 0.00 0.00 66.02 62.89 2kj6 s SER 67 CO 0.00 -0.59 0.93 -1.59 1.20 0.00 0.00 173.24 173.19 2kj6 s LYS 68 N -4.37 4.83 0.00 5.44 -2.85 -1.26 -4.01 119.74 117.52 2kj6 s LYS 68 Ca 0.47 1.47 0.28 0.00 -1.00 0.00 0.00 55.97 57.19 2kj6 s LYS 68 Cb -0.10 -3.29 1.15 0.00 -2.06 0.00 0.00 37.83 33.53 2kj6 s LYS 68 CO 0.34 0.49 1.80 1.33 0.10 0.00 0.00 175.35 179.42 2kj6 n VAL 69 N 1.62 0.00 -3.81 1.79 0.24 -1.16 -4.87 118.33 112.14 2kj6 n VAL 69 Ca -0.02 -0.17 -0.12 0.00 -2.04 0.00 0.00 64.34 61.99 2kj6 n VAL 69 Cb 0.47 0.26 -0.09 0.00 -1.47 0.00 0.00 33.84 33.01 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 -2.15 -0.56 -0.16 2.33 0.00 -1.26 -5.00 121.76 114.96 2kj6 s ALA 70 Ca 0.36 0.08 0.29 0.00 0.00 0.00 0.00 51.96 52.69 2kj6 s ALA 70 Cb 0.21 0.11 1.17 0.00 0.00 0.00 0.00 23.12 24.61 2kj6 s ALA 70 CO 0.39 -0.25 1.87 -0.24 0.00 0.00 0.00 175.76 177.53 2kj6 h VAL 71 N 3.99 0.00 -0.82 0.00 3.04 -1.97 -3.45 116.25 117.04 2kj6 h VAL 71 Ca -0.30 -0.43 -0.34 0.00 -1.01 0.00 0.00 66.70 64.61 2kj6 h VAL 71 Cb 1.19 1.34 -0.13 0.00 -2.01 0.00 0.00 31.29 31.67 2kj6 h VAL 71 CO 0.41 0.00 -0.31 -0.11 -1.01 0.00 0.00 177.57 176.55 2kj6 n LEU 72 N -2.76 -1.22 -0.16 3.16 7.94 -1.26 -4.79 117.00 117.91 2kj6 n LEU 72 Ca 0.01 0.40 0.13 0.00 -1.11 0.00 0.00 56.01 55.45 2kj6 n LEU 72 Cb 0.29 -2.38 0.67 0.00 0.53 0.00 0.00 43.42 42.53 2kj6 n LEU 72 CO 0.25 -0.86 0.94 -1.20 -1.11 0.00 0.00 177.39 175.41 2kj6 n SER 73 N -0.69 0.48 -1.97 1.96 7.64 -1.26 -2.99 113.62 116.79 2kj6 n SER 73 Ca -0.17 -1.32 -0.06 0.00 1.01 0.00 0.00 58.87 58.33 2kj6 n SER 73 Cb 0.55 -0.02 0.30 0.00 -1.01 0.00 0.00 64.21 64.03 2kj6 n SER 73 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kj6 n ASP 74 N -0.55 4.76 0.16 6.43 9.92 -1.26 -4.59 116.55 131.41 2kj6 n ASP 74 Ca 0.19 -3.25 0.13 0.00 -0.53 0.00 0.00 54.79 51.33 2kj6 n ASP 74 Cb 0.17 -0.74 0.51 0.00 -0.64 0.00 0.00 41.12 40.41 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 2.59 0.00 0.18 -2.24 2.03 -1.94 -0.43 116.42 116.62 2kj6 h ASP 75 Ca 0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 2kj6 h ASP 75 Cb 2.33 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.83 2kj6 h ASP 75 CO 0.73 0.00 -0.12 -0.24 -1.03 0.00 0.00 179.24 178.58 2kj6 n SER 76 N -2.41 0.92 -4.84 4.15 2.88 -1.26 -0.30 113.62 112.75 2kj6 n SER 76 Ca 0.02 -0.98 -0.35 0.00 -1.33 0.00 0.00 58.87 56.23 2kj6 n SER 76 Cb 0.27 0.03 -0.06 0.00 -0.75 0.00 0.00 64.21 63.70 2kj6 n SER 76 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2kj6 s ARG 77 N -2.31 3.99 0.25 -1.46 1.81 -0.17 -4.89 118.95 116.16 2kj6 s ARG 77 Ca 0.31 0.51 -0.30 0.00 -1.72 0.00 0.00 55.73 54.54 2kj6 s ARG 77 Cb 0.20 -2.87 -0.10 0.00 -0.45 0.00 0.00 34.95 31.73 2kj6 s ARG 77 CO 0.44 0.44 1.36 -2.14 -0.68 0.00 0.00 175.30 174.72 2kj6 s PRO 78 N -2.10 4.34 0.37 3.54 0.02 -1.26 -4.11 135.00 135.79 2kj6 s PRO 78 Ca 0.40 2.19 0.08 0.00 0.02 0.00 0.00 61.00 63.68 2kj6 s PRO 78 Cb -0.15 -3.13 0.79 0.00 0.02 0.00 0.00 34.50 32.03 2kj6 s PRO 78 CO 0.19 -0.30 1.94 -0.07 -0.33 0.00 0.00 177.00 178.43 2kj6 h LEU 79 N 4.81 0.63 -0.05 -5.54 3.38 -0.92 0.06 115.31 117.67 2kj6 h LEU 79 Ca -0.46 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2kj6 h LEU 79 Cb 1.22 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2kj6 h LEU 79 CO 0.75 0.38 0.00 0.61 0.09 0.00 0.00 178.44 180.27 2kj6 n GLY 80 N -1.45 -1.38 0.75 0.83 0.00 0.13 -1.14 105.19 102.93 2kj6 n GLY 80 Ca 0.12 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.18 2kj6 n GLY 80 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kj6 n PHE 81 N -1.65 0.00 -0.04 1.61 7.35 -0.04 -4.57 117.46 120.12 2kj6 n PHE 81 Ca 0.06 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.70 2kj6 n PHE 81 Cb 0.30 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.11 2kj6 n PHE 81 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2kj6 n PHE 82 N 0.97 0.00 -3.15 -5.13 7.35 -0.79 -4.96 117.46 111.75 2kj6 n PHE 82 Ca 0.11 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.86 2kj6 n PHE 82 Cb 0.49 -0.24 -0.01 0.00 0.35 0.00 0.00 39.48 40.07 2kj6 n PHE 82 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2kj6 s SER 83 N -5.27 -0.36 -1.44 -2.13 1.04 -0.29 -5.08 113.70 100.18 2kj6 s SER 83 Ca -0.14 0.13 -0.14 0.00 0.48 0.00 0.00 55.95 56.27 2kj6 s SER 83 Cb 0.02 1.26 0.04 0.00 0.10 0.00 0.00 66.02 67.45 2kj6 s SER 83 CO 0.21 -0.07 2.16 -2.65 0.98 0.00 0.00 173.24 173.88 2kj6 n PRO 84 N 5.30 2.90 0.28 4.02 -0.02 -1.25 -4.75 135.00 141.48 2kj6 n PRO 84 Ca 0.01 -2.69 -0.12 0.00 -2.02 0.00 0.00 63.50 58.68 2kj6 n PRO 84 Cb 0.56 -3.31 -0.05 0.00 -0.02 0.00 0.00 33.50 30.67 2kj6 n PRO 84 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2kj6 h PHE 85 N 6.20 -0.70 0.00 6.00 3.57 -1.98 -3.49 116.94 126.55 2kj6 h PHE 85 Ca 0.55 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.04 2kj6 h PHE 85 Cb 0.67 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.64 2kj6 h PHE 85 CO 1.45 -0.43 0.00 -3.47 -2.23 0.00 0.00 178.31 173.63 2kj6 n ASP 86 N -4.68 0.00 0.00 0.41 2.03 -1.26 -5.10 116.55 107.95 2kj6 n ASP 86 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 2kj6 n ASP 86 Cb 0.30 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 2kj6 n ASP 86 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kj6 n GLY 87 N 0.00 -0.43 3.78 0.27 0.00 -1.26 -2.03 105.19 105.52 2kj6 n GLY 87 Ca 0.00 0.75 -0.31 0.00 0.00 0.00 0.00 46.02 46.46 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 2.69 -0.51 1.61 0.08 -1.26 -4.50 117.98 116.08 2kj6 s PHE 88 Ca 0.00 1.45 -0.25 0.00 0.12 0.00 0.00 56.93 58.26 2kj6 s PHE 88 Cb 0.00 -3.03 0.04 0.00 -0.57 0.00 0.00 43.02 39.46 2kj6 s PHE 88 CO 0.00 -1.75 0.93 1.03 -0.10 0.00 0.00 175.22 175.33 2kj6 s ARG 89 N -4.96 3.40 -1.00 0.44 0.52 0.79 -2.17 118.95 115.99 2kj6 s ARG 89 Ca 0.61 -0.11 -0.23 0.00 -0.52 0.00 0.00 55.73 55.48 2kj6 s ARG 89 Cb -0.16 -4.00 -0.00 0.00 0.52 0.00 0.00 34.95 31.30 2kj6 s ARG 89 CO 0.56 -1.37 1.74 -0.51 0.02 0.00 0.00 175.30 175.73 2kj6 s LEU 90 N 3.84 3.33 -0.86 2.53 1.43 0.31 -1.93 118.68 127.33 2kj6 s LEU 90 Ca 0.33 -1.17 -0.24 0.00 -1.03 0.00 0.00 54.13 52.01 2kj6 s LEU 90 Cb -0.12 -2.57 0.06 0.00 0.03 0.00 0.00 46.19 43.59 2kj6 s LEU 90 CO 0.22 -2.19 1.28 -2.28 0.23 0.00 0.00 176.35 173.61 2kj6 s HIS 91 N 7.78 2.55 -0.23 0.29 2.46 -0.64 -0.10 115.29 127.40 2kj6 s HIS 91 Ca 0.59 -0.61 -0.29 0.00 0.47 0.00 0.00 55.06 55.23 2kj6 s HIS 91 Cb -0.03 -4.56 -0.01 0.00 -0.13 0.00 0.00 32.58 27.85 2kj6 s HIS 91 CO -0.03 -1.88 1.35 0.42 -2.47 0.00 0.00 174.74 172.13 2kj6 s ILE 92 N 4.80 4.10 -0.55 0.89 -1.09 0.77 -0.64 121.20 129.47 2kj6 s ILE 92 Ca 0.37 1.28 -0.28 0.00 -2.23 0.00 0.00 60.65 59.80 2kj6 s ILE 92 Cb -0.06 -4.00 0.03 0.00 -1.58 0.00 0.00 42.46 36.85 2kj6 s ILE 92 CO 0.01 -0.31 1.13 -0.63 -1.23 0.00 0.00 174.94 173.92 2kj6 s ILE 93 N 4.16 4.13 -0.95 2.92 -1.09 0.12 -1.75 121.20 128.74 2kj6 s ILE 93 Ca 0.59 0.86 -0.17 0.00 -2.23 0.00 0.00 60.65 59.70 2kj6 s ILE 93 Cb -0.20 -4.66 -0.10 0.00 -1.58 0.00 0.00 42.46 35.91 2kj6 s ILE 93 CO 0.21 -1.22 2.05 0.47 -1.23 0.00 0.00 174.94 175.22 2kj6 n ASP 94 N 8.13 3.45 0.01 3.58 8.00 -1.26 -3.98 116.55 134.47 2kj6 n ASP 94 Ca 0.08 -2.63 -0.18 0.00 0.71 0.00 0.00 54.79 52.77 2kj6 n ASP 94 Cb 0.49 -1.22 -0.11 0.00 -0.02 0.00 0.00 41.12 40.26 2kj6 n ASP 94 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2kj6 h LEU 95 N 11.83 0.62 -8.87 0.64 5.85 -1.91 -3.43 115.31 120.03 2kj6 h LEU 95 Ca 0.48 -0.76 -0.59 0.00 0.84 0.00 0.00 57.88 57.85 2kj6 h LEU 95 Cb 0.55 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.31 2kj6 h LEU 95 CO 1.84 1.30 0.66 -0.62 -0.34 0.00 0.00 178.44 181.28 2kj6 s ASP 96 N -6.87 6.74 0.00 1.25 -1.08 -1.26 -5.13 116.67 110.32 2kj6 s ASP 96 Ca -0.12 0.71 0.29 0.00 -0.52 0.00 0.00 52.55 52.91 2kj6 s ASP 96 Cb 0.04 -2.48 1.71 0.00 -1.46 0.00 0.00 42.92 40.73 2kj6 s ASP 96 CO 0.84 -0.85 2.05 -2.65 0.52 0.00 0.00 175.17 175.08