#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 -1.12 3.60 3.03 0.00 -1.26 -5.10 105.19 104.34 2kj6 n GLY 2 Ca 0.00 0.41 -0.43 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 1.77 -0.18 1.61 2.46 -1.26 -4.97 115.29 114.72 2kj6 s HIS 3 Ca 0.00 0.61 -0.17 0.00 0.47 0.00 0.00 55.06 55.97 2kj6 s HIS 3 Cb 0.00 -4.12 -0.04 0.00 -0.13 0.00 0.00 32.58 28.30 2kj6 s HIS 3 CO 0.00 -3.03 0.45 -3.38 -2.47 0.00 0.00 174.74 166.31 2kj6 s HIS 4 N 6.97 3.40 0.23 3.88 0.00 -1.26 -5.07 115.29 123.44 2kj6 s HIS 4 Ca 0.81 0.73 0.11 0.00 -3.00 0.00 0.00 55.06 53.70 2kj6 s HIS 4 Cb -0.23 -2.58 -0.05 0.00 -4.00 0.00 0.00 32.58 25.73 2kj6 s HIS 4 CO 0.34 0.00 -0.15 -3.38 -1.00 0.00 0.00 174.74 170.55 2kj6 s HIS 5 N 1.26 2.46 0.02 0.38 -0.00 -1.26 -5.15 115.29 112.99 2kj6 s HIS 5 Ca 0.22 -0.29 0.07 0.00 -0.00 0.00 0.00 55.06 55.06 2kj6 s HIS 5 Cb -0.15 -1.14 -0.02 0.00 -0.00 0.00 0.00 32.58 31.27 2kj6 s HIS 5 CO 0.09 0.60 -0.20 -1.01 -0.00 0.00 0.00 174.74 174.22 2kj6 s HIS 6 N -2.08 1.76 -1.15 0.38 3.76 -1.26 -5.03 115.29 111.67 2kj6 s HIS 6 Ca 0.27 -0.35 -0.07 0.00 -0.15 0.00 0.00 55.06 54.76 2kj6 s HIS 6 Cb -0.07 -1.09 0.01 0.00 1.11 0.00 0.00 32.58 32.55 2kj6 s HIS 6 CO 0.15 0.03 2.74 0.72 -0.85 0.00 0.00 174.74 177.52 2kj6 n HIS 7 N 2.21 2.14 -2.92 1.40 -0.00 -1.26 -4.93 115.22 111.86 2kj6 n HIS 7 Ca -0.16 -2.64 -0.43 0.00 -0.00 0.00 0.00 57.72 54.49 2kj6 n HIS 7 Cb 0.53 -1.93 -0.05 0.00 -0.00 0.00 0.00 29.99 28.54 2kj6 n HIS 7 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kj6 s HIS 8 N -0.08 2.99 0.36 4.41 5.04 -1.26 -5.02 115.29 121.73 2kj6 s HIS 8 Ca 0.61 0.29 -0.28 0.00 -1.54 0.00 0.00 55.06 54.13 2kj6 s HIS 8 Cb 0.23 -3.71 -0.11 0.00 0.04 0.00 0.00 32.58 29.03 2kj6 s HIS 8 CO -0.10 -0.98 1.46 -1.13 -2.34 0.00 0.00 174.74 171.66 2kj6 n SER 9 N 6.79 3.57 -3.74 9.88 3.41 -1.26 -5.01 113.62 127.26 2kj6 n SER 9 Ca 0.03 1.21 -0.14 0.00 -0.26 0.00 0.00 58.87 59.72 2kj6 n SER 9 Cb 0.48 -1.58 -0.09 0.00 -0.26 0.00 0.00 64.21 62.76 2kj6 n SER 9 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2kj6 s HIS 10 N -0.94 -0.25 -0.08 7.33 -0.00 -1.26 -5.11 115.29 114.98 2kj6 s HIS 10 Ca 0.55 0.45 -0.30 0.00 -0.00 0.00 0.00 55.06 55.76 2kj6 s HIS 10 Cb -0.50 0.13 -0.04 0.00 -0.00 0.00 0.00 32.58 32.17 2kj6 s HIS 10 CO 0.61 -0.38 1.41 0.20 -0.00 0.00 0.00 174.74 176.58 2kj6 s GLY 11 N -1.07 1.70 -1.23 -1.38 0.00 -1.26 -4.91 107.32 99.16 2kj6 s GLY 11 Ca -0.11 0.72 -0.20 0.00 0.00 0.00 0.00 44.72 45.13 2kj6 s GLY 11 CO 0.04 2.64 1.80 -0.35 0.00 0.00 0.00 173.10 177.22 2kj6 s ASP 12 N 2.31 6.14 -0.24 1.64 2.15 -1.26 -4.77 116.67 122.64 2kj6 s ASP 12 Ca 0.63 -2.07 -0.03 0.00 0.43 0.00 0.00 52.55 51.51 2kj6 s ASP 12 Cb -0.28 -2.58 0.11 0.00 -0.30 0.00 0.00 42.92 39.87 2kj6 s ASP 12 CO 0.23 -1.90 0.24 -0.62 -0.17 0.00 0.00 175.17 172.95 2kj6 s ASP 13 N 5.17 1.58 0.14 -0.34 2.15 -1.26 -5.15 116.67 118.96 2kj6 s ASP 13 Ca 0.59 -0.44 -0.15 0.00 0.43 0.00 0.00 52.55 52.99 2kj6 s ASP 13 Cb 0.02 0.39 0.02 0.00 -0.30 0.00 0.00 42.92 43.06 2kj6 s ASP 13 CO 0.09 -0.35 0.39 -0.44 -0.17 0.00 0.00 175.17 174.68 2kj6 s SER 14 N 2.33 -0.17 0.50 -0.34 0.01 -1.26 -4.25 113.70 110.52 2kj6 s SER 14 Ca 0.08 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.92 2kj6 s SER 14 Cb -0.15 0.48 0.02 0.00 0.21 0.00 0.00 66.02 66.58 2kj6 s SER 14 CO -0.20 -0.88 0.70 0.68 0.41 0.00 0.00 173.24 173.94 2kj6 s VAL 15 N -3.84 2.92 -0.60 3.43 -7.23 0.73 -4.90 120.40 110.90 2kj6 s VAL 15 Ca 0.06 -0.76 0.04 0.00 -1.81 0.00 0.00 61.98 59.51 2kj6 s VAL 15 Cb 0.02 -3.05 0.15 0.00 0.56 0.00 0.00 36.38 34.06 2kj6 s VAL 15 CO -0.09 -0.03 0.39 -1.00 -0.31 0.00 0.00 175.10 174.06 2kj6 s HIS 16 N -2.60 3.12 -0.43 2.82 3.76 0.24 -2.42 115.29 119.78 2kj6 s HIS 16 Ca 0.55 -3.13 -0.29 0.00 -0.15 0.00 0.00 55.06 52.05 2kj6 s HIS 16 Cb -0.10 -2.53 0.02 0.00 1.11 0.00 0.00 32.58 31.08 2kj6 s HIS 16 CO 0.36 -0.65 1.31 -0.51 -0.85 0.00 0.00 174.74 174.41 2kj6 s LEU 17 N -0.83 3.62 -0.62 0.89 1.43 0.10 -3.95 118.68 119.32 2kj6 s LEU 17 Ca 0.22 0.73 -0.25 0.00 -1.03 0.00 0.00 54.13 53.81 2kj6 s LEU 17 Cb -0.12 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.60 2kj6 s LEU 17 CO -0.10 -1.35 1.04 -1.00 0.23 0.00 0.00 176.35 175.16 2kj6 s HIS 18 N 5.03 2.64 -0.21 0.29 3.76 -0.87 -0.31 115.29 125.62 2kj6 s HIS 18 Ca 0.56 -0.16 -0.22 0.00 -0.15 0.00 0.00 55.06 55.10 2kj6 s HIS 18 Cb -0.12 -4.29 -0.02 0.00 1.11 0.00 0.00 32.58 29.26 2kj6 s HIS 18 CO 0.32 -1.61 0.68 0.42 -0.85 0.00 0.00 174.74 173.70 2kj6 s ILE 19 N 4.41 4.97 -0.03 0.60 -1.09 0.49 -1.43 121.20 129.12 2kj6 s ILE 19 Ca 0.30 1.29 -0.01 0.00 -2.23 0.00 0.00 60.65 60.00 2kj6 s ILE 19 Cb -0.13 -3.99 0.03 0.00 -1.58 0.00 0.00 42.46 36.79 2kj6 s ILE 19 CO 0.16 0.07 0.03 -0.89 -1.23 0.00 0.00 174.94 173.08 2kj6 s THR 20 N 2.14 -0.00 0.55 2.92 2.01 -1.01 -1.59 115.64 120.66 2kj6 s THR 20 Ca 0.30 0.27 -0.07 0.00 0.31 0.00 0.00 61.69 62.50 2kj6 s THR 20 Cb -0.16 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 2kj6 s THR 20 CO 0.10 0.15 0.89 -1.00 -0.69 0.00 0.00 174.62 174.07 2kj6 s HIS 21 N 1.58 3.53 -0.12 4.92 3.76 -1.25 -0.53 115.29 127.19 2kj6 s HIS 21 Ca -0.02 0.95 0.17 0.00 -0.15 0.00 0.00 55.06 56.00 2kj6 s HIS 21 Cb -0.13 -2.52 -0.22 0.00 1.11 0.00 0.00 32.58 30.82 2kj6 s HIS 21 CO -0.03 -0.52 0.49 0.00 -0.85 0.00 0.00 174.74 173.84 2kj6 n ALA 22 N -2.49 1.79 0.01 -1.40 0.00 -0.83 -4.29 120.51 113.30 2kj6 n ALA 22 Ca 0.03 -0.86 -0.11 0.00 0.00 0.00 0.00 53.44 52.50 2kj6 n ALA 22 Cb 0.55 -0.65 -0.09 0.00 0.00 0.00 0.00 19.45 19.27 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 0.00 -0.11 -3.14 0.00 -0.73 -1.88 -3.40 115.58 106.32 2kj6 h ASN 23 Ca -0.30 -0.48 -0.75 0.00 1.87 0.00 0.00 56.30 56.64 2kj6 h ASN 23 Cb 1.84 0.03 -0.23 0.00 0.27 0.00 0.00 38.32 40.23 2kj6 h ASN 23 CO 0.04 0.52 -0.22 -0.76 -0.37 0.00 0.00 177.43 176.64 2kj6 s LEU 24 N -8.86 5.95 0.42 0.34 1.02 -1.26 -4.91 118.68 111.38 2kj6 s LEU 24 Ca -0.14 -1.62 0.23 0.00 0.02 0.00 0.00 54.13 52.62 2kj6 s LEU 24 Cb -0.00 -2.22 0.51 0.00 0.02 0.00 0.00 46.19 44.50 2kj6 s LEU 24 CO 0.52 -0.82 1.66 0.07 0.02 0.00 0.00 176.35 177.80 2kj6 h LYS 25 N 8.88 0.00 -0.65 1.70 2.10 -1.79 -2.87 116.57 123.95 2kj6 h LYS 25 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2kj6 h LYS 25 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 2kj6 h LYS 25 CO 1.00 0.14 0.00 0.43 -2.00 0.00 0.00 179.45 179.02 2kj6 n SER 26 N -3.16 3.45 -4.39 7.07 7.64 -1.26 -4.73 113.62 118.24 2kj6 n SER 26 Ca 0.03 -2.00 -0.45 0.00 1.01 0.00 0.00 58.87 57.46 2kj6 n SER 26 Cb 0.53 -0.43 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 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 -1.14 3.28 -0.41 1.43 5.36 -1.08 -4.98 117.98 120.43 2kj6 s PHE 27 Ca 0.43 -1.44 -0.02 0.00 -0.96 0.00 0.00 56.93 54.93 2kj6 s PHE 27 Cb 0.22 -4.06 0.11 0.00 -0.34 0.00 0.00 43.02 38.95 2kj6 s PHE 27 CO 0.29 -1.28 0.20 -1.12 -1.46 0.00 0.00 175.22 171.85 2kj6 s SER 28 N 3.17 5.21 -0.21 6.13 0.01 -1.26 -3.78 113.70 122.97 2kj6 s SER 28 Ca 0.22 -2.08 -0.08 0.00 1.31 0.00 0.00 55.95 55.32 2kj6 s SER 28 Cb -0.12 -1.81 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 2kj6 s SER 28 CO -0.05 -0.52 0.08 0.00 0.41 0.00 0.00 173.24 173.17 2kj6 s ALA 29 N 1.06 3.40 -0.47 1.44 0.00 -0.62 -4.99 121.76 121.59 2kj6 s ALA 29 Ca 0.09 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 51.06 2kj6 s ALA 29 Cb -0.22 -2.03 0.07 0.00 0.00 0.00 0.00 23.12 20.94 2kj6 s ALA 29 CO -0.04 -0.01 0.38 0.34 0.00 0.00 0.00 175.76 176.42 2kj6 s ASP 30 N 0.73 6.08 -0.60 0.00 2.15 -1.26 -0.38 116.67 123.39 2kj6 s ASP 30 Ca 0.04 -1.36 -0.20 0.00 0.43 0.00 0.00 52.55 51.47 2kj6 s ASP 30 Cb -0.13 -2.16 0.10 0.00 -0.30 0.00 0.00 42.92 40.43 2kj6 s ASP 30 CO 0.02 -0.64 0.75 0.00 -0.17 0.00 0.00 175.17 175.13 2kj6 s ALA 31 N 1.61 3.36 -0.21 3.66 0.00 0.58 -4.92 121.76 125.84 2kj6 s ALA 31 Ca 0.04 -2.16 -0.22 0.00 0.00 0.00 0.00 51.96 49.62 2kj6 s ALA 31 Cb -0.24 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.27 2kj6 s ALA 31 CO 0.06 -2.43 0.71 -0.98 0.00 0.00 0.00 175.76 173.12 2kj6 s ARG 32 N 2.94 4.21 -0.01 0.00 1.70 -1.26 -0.73 118.95 125.81 2kj6 s ARG 32 Ca 0.13 0.76 0.02 0.00 -0.47 0.00 0.00 55.73 56.18 2kj6 s ARG 32 Cb -0.23 -3.60 -0.00 0.00 -0.57 0.00 0.00 34.95 30.55 2kj6 s ARG 32 CO 0.07 -0.34 -0.08 -0.06 -1.08 0.00 0.00 175.30 173.81 2kj6 s PHE 33 N 2.23 0.74 0.23 5.89 0.08 -1.01 -4.96 117.98 121.19 2kj6 s PHE 33 Ca 0.32 -0.15 -0.30 0.00 0.12 0.00 0.00 56.93 56.92 2kj6 s PHE 33 Cb -0.16 -0.49 -0.09 0.00 -0.57 0.00 0.00 43.02 41.71 2kj6 s PHE 33 CO 0.10 -0.02 1.29 -1.12 -0.10 0.00 0.00 175.22 175.37 2kj6 s SER 34 N -0.13 6.90 -1.13 1.36 0.01 -1.26 -0.19 113.70 119.25 2kj6 s SER 34 Ca 0.02 2.45 -0.21 0.00 1.31 0.00 0.00 55.95 59.52 2kj6 s SER 34 Cb -0.04 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.51 2kj6 s SER 34 CO -0.00 -0.49 1.91 -2.65 0.41 0.00 0.00 173.24 172.42 2kj6 n PRO 35 N 2.11 1.98 -2.67 12.44 -0.02 -1.26 -4.40 135.00 143.17 2kj6 n PRO 35 Ca 0.04 -2.50 -0.04 0.00 -2.02 0.00 0.00 63.50 58.98 2kj6 n PRO 35 Cb 0.43 -3.47 0.05 0.00 -0.02 0.00 0.00 33.50 30.49 2kj6 n PRO 35 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2kj6 n GLN 36 N 7.86 0.12 -3.69 -0.52 7.27 -1.26 -3.48 117.38 123.69 2kj6 n GLN 36 Ca 0.47 -0.76 -0.14 0.00 0.07 0.00 0.00 57.00 56.64 2kj6 n GLN 36 Cb 0.45 -0.07 -0.08 0.00 2.41 0.00 0.00 30.24 32.94 2kj6 n GLN 36 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 2kj6 s MET 37 N 0.54 0.73 0.03 3.69 1.75 -1.26 -4.89 119.30 119.89 2kj6 s MET 37 Ca 0.25 0.17 -0.23 0.00 -1.25 0.00 0.00 55.69 54.63 2kj6 s MET 37 Cb 0.17 0.34 -0.05 0.00 2.84 0.00 0.00 34.83 38.12 2kj6 s MET 37 CO -0.10 -0.18 0.71 0.45 -0.65 0.00 0.00 175.02 175.24 2kj6 s SER 38 N -0.83 7.13 0.44 1.11 0.15 -1.26 -0.55 113.70 119.90 2kj6 s SER 38 Ca -0.09 1.35 0.14 0.00 0.70 0.00 0.00 55.95 58.06 2kj6 s SER 38 Cb -0.03 -2.43 0.98 0.00 -1.71 0.00 0.00 66.02 62.82 2kj6 s SER 38 CO 0.05 0.05 1.98 0.58 1.20 0.00 0.00 173.24 177.09 2kj6 h VAL 39 N 4.10 1.13 0.00 4.45 2.07 -1.22 -1.60 116.25 125.19 2kj6 h VAL 39 Ca -0.44 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 2kj6 h VAL 39 Cb 1.20 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 2kj6 h VAL 39 CO 0.70 0.20 -0.03 -0.08 0.02 0.00 0.00 177.57 178.38 2kj6 h GLU 40 N 0.00 0.00 0.05 1.57 4.81 -1.37 -0.93 114.58 118.70 2kj6 h GLU 40 Ca -0.00 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 2kj6 h GLU 40 Cb 0.36 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.75 2kj6 h GLU 40 CO 0.03 0.03 -0.70 0.00 -0.73 0.00 0.00 179.01 177.63 2kj6 h ALA 41 N 1.97 0.02 -0.26 2.92 0.00 -1.57 -2.91 119.26 119.43 2kj6 h ALA 41 Ca -0.00 -0.62 -0.14 0.00 0.00 0.00 0.00 54.91 54.15 2kj6 h ALA 41 Cb 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2kj6 h ALA 41 CO 0.00 0.38 -0.40 -0.24 0.00 0.00 0.00 179.25 178.99 2kj6 h VAL 42 N -0.17 1.30 -0.68 0.00 3.04 -1.39 -2.42 116.25 115.93 2kj6 h VAL 42 Ca -0.10 -1.57 -0.01 0.00 -1.01 0.00 0.00 66.70 64.00 2kj6 h VAL 42 Cb 1.45 1.54 -0.03 0.00 -2.01 0.00 0.00 31.29 32.23 2kj6 h VAL 42 CO 0.14 0.50 0.37 0.11 -1.01 0.00 0.00 177.57 177.67 2kj6 h LYS 43 N 0.50 0.94 -0.58 4.17 1.57 -1.28 -2.15 116.57 119.74 2kj6 h LYS 43 Ca 0.04 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 2kj6 h LYS 43 Cb 0.92 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 2kj6 h LYS 43 CO 0.08 0.70 0.11 1.49 -0.57 0.00 0.00 179.45 181.26 2kj6 h GLU 44 N 0.95 0.96 -0.10 3.15 4.81 -1.25 0.32 114.58 123.42 2kj6 h GLU 44 Ca 0.24 -0.25 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 2kj6 h GLU 44 Cb 0.03 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2kj6 h GLU 44 CO -0.04 0.90 -0.33 -0.22 -0.73 0.00 0.00 179.01 178.60 2kj6 h LYS 45 N 0.86 0.20 -0.18 1.92 3.64 -1.04 -1.34 116.57 120.63 2kj6 h LYS 45 Ca 0.18 -0.08 -0.21 0.00 -1.27 0.00 0.00 60.65 59.27 2kj6 h LYS 45 Cb 0.40 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2kj6 h LYS 45 CO 0.01 0.51 -0.71 -0.07 -2.27 0.00 0.00 179.45 176.92 2kj6 h LEU 46 N 0.18 0.91 -1.17 5.20 3.38 -1.11 -3.14 115.31 119.55 2kj6 h LEU 46 Ca 0.02 -0.56 0.06 0.00 0.09 0.00 0.00 57.88 57.49 2kj6 h LEU 46 Cb 0.67 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 2kj6 h LEU 46 CO 0.05 1.36 0.58 -0.25 0.09 0.00 0.00 178.44 180.26 2kj6 h TRP 47 N 0.55 1.02 0.00 1.13 7.01 -0.32 -1.30 115.95 124.03 2kj6 h TRP 47 Ca -0.03 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.99 2kj6 h TRP 47 Cb 1.33 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 28.05 2kj6 h TRP 47 CO 0.08 0.54 0.00 1.63 -2.79 0.00 0.00 178.44 177.90 2kj6 n LYS 48 N -4.48 0.18 0.07 2.65 5.02 -0.56 0.13 118.16 121.16 2kj6 n LYS 48 Ca 0.13 0.17 -0.22 0.00 -2.02 0.00 0.00 58.31 56.37 2kj6 n LYS 48 Cb 0.19 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.55 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 0.00 0.35 0.00 1.97 1.63 -1.33 -3.40 116.57 115.79 2kj6 h LYS 49 Ca 0.00 -0.61 -0.10 0.00 -0.85 0.00 0.00 60.65 59.10 2kj6 h LYS 49 Cb 0.10 0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 31.93 2kj6 h LYS 49 CO 0.00 1.29 -1.57 0.00 -3.45 0.00 0.00 179.45 175.72 2kj6 n GLY 51 N 2.19 0.40 2.96 0.00 0.00 0.12 -5.04 105.19 105.83 2kj6 n GLY 51 Ca -0.09 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.14 -0.01 0.35 2.61 2.01 -1.25 -5.06 115.64 112.14 2kj6 s THR 52 Ca 0.00 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 2kj6 s THR 52 Cb 0.00 -0.16 -0.11 0.00 0.01 0.00 0.00 72.50 72.24 2kj6 s THR 52 CO 0.00 0.01 1.53 -1.20 -0.69 0.00 0.00 174.62 174.27 2kj6 n SER 53 N 3.23 3.83 -4.59 3.53 7.64 -1.26 -4.82 113.62 121.17 2kj6 n SER 53 Ca -0.15 1.20 -0.42 0.00 1.01 0.00 0.00 58.87 60.51 2kj6 n SER 53 Cb 0.58 -1.61 -0.03 0.00 -1.01 0.00 0.00 64.21 62.14 2kj6 n SER 53 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2kj6 s VAL 54 N -0.69 3.60 0.00 0.44 1.01 -1.26 -4.64 120.40 118.86 2kj6 s VAL 54 Ca 0.57 0.59 0.00 0.00 0.00 0.00 0.00 61.98 63.14 2kj6 s VAL 54 Cb -0.48 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.02 2kj6 s VAL 54 CO 0.58 -0.61 0.00 -3.20 0.00 0.00 0.00 175.10 171.87 2kj6 n ASN 55 N 10.08 0.08 -0.05 3.32 5.15 -1.26 -4.94 115.26 127.65 2kj6 n ASN 55 Ca 0.20 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 54.17 2kj6 n ASN 55 Cb 0.48 0.01 -0.00 0.00 -0.53 0.00 0.00 39.78 39.73 2kj6 n ASN 55 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 2kj6 h SER 56 N 0.00 0.00 -2.64 1.20 4.64 -1.99 -3.45 113.55 111.32 2kj6 h SER 56 Ca 0.00 -0.01 -0.55 0.00 -0.47 0.00 0.00 61.79 60.76 2kj6 h SER 56 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2kj6 h SER 56 CO 0.00 0.54 1.07 -0.32 -0.87 0.00 0.00 176.83 177.24 2kj6 s MET 57 N -1.63 4.19 0.08 4.77 -2.45 -1.26 -4.67 119.30 118.32 2kj6 s MET 57 Ca -0.02 2.17 -0.19 0.00 -1.25 0.00 0.00 55.69 56.40 2kj6 s MET 57 Cb 0.00 -3.94 -0.07 0.00 1.25 0.00 0.00 34.83 32.07 2kj6 s MET 57 CO 0.03 -0.82 0.57 0.00 1.05 0.00 0.00 175.02 175.85 2kj6 s ALA 58 N 3.87 3.59 -0.23 4.11 0.00 -1.07 -4.95 121.76 127.08 2kj6 s ALA 58 Ca 0.72 0.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.69 2kj6 s ALA 58 Cb -0.33 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 20.16 2kj6 s ALA 58 CO 0.29 0.40 -0.06 -0.51 0.00 0.00 0.00 175.76 175.88 2kj6 s LEU 59 N -1.15 2.97 -0.11 0.00 1.43 -1.26 -0.61 118.68 119.94 2kj6 s LEU 59 Ca 0.30 -0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2kj6 s LEU 59 Cb -0.19 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 2kj6 s LEU 59 CO 0.19 -0.06 -0.05 -1.61 0.23 0.00 0.00 176.35 175.04 2kj6 s GLU 60 N 1.41 3.18 -0.41 1.70 0.41 -1.20 -5.01 118.70 118.79 2kj6 s GLU 60 Ca 0.04 -0.53 -0.13 0.00 -0.41 0.00 0.00 54.97 53.93 2kj6 s GLU 60 Cb -0.15 -2.74 0.03 0.00 -1.78 0.00 0.00 34.13 29.49 2kj6 s GLU 60 CO -0.04 0.47 0.28 -1.17 -0.49 0.00 0.00 175.26 174.31 2kj6 s LEU 61 N -0.27 5.05 -0.12 1.80 2.96 -1.26 -2.52 118.68 124.31 2kj6 s LEU 61 Ca 0.04 -1.01 -0.02 0.00 -0.22 0.00 0.00 54.13 52.92 2kj6 s LEU 61 Cb -0.13 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 2kj6 s LEU 61 CO 0.02 -0.46 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.23 2kj6 s TYR 62 N 1.62 2.97 -0.28 5.38 2.02 -0.43 -1.67 117.35 126.96 2kj6 s TYR 62 Ca 0.04 -0.23 -0.23 0.00 -0.37 0.00 0.00 57.07 56.28 2kj6 s TYR 62 Cb -0.20 -1.86 -0.00 0.00 -0.40 0.00 0.00 41.96 39.50 2kj6 s TYR 62 CO 0.08 0.07 0.76 0.34 -1.57 0.00 0.00 175.55 175.24 2kj6 s ASP 63 N -0.06 6.68 0.00 2.29 2.15 0.14 -0.15 116.67 127.72 2kj6 s ASP 63 Ca 0.01 0.74 0.00 0.00 0.43 0.00 0.00 52.55 53.72 2kj6 s ASP 63 Cb -0.13 -2.40 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2kj6 s ASP 63 CO 0.03 -0.55 0.00 -0.67 -0.17 0.00 0.00 175.17 173.81 2kj6 n ASP 64 N 6.07 0.00 0.08 -0.34 2.03 -1.26 -2.78 116.55 120.35 2kj6 n ASP 64 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2kj6 n ASP 64 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 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 2.02 -1.51 0.02 1.67 7.64 -1.26 -4.71 113.62 117.48 2kj6 n SER 65 Ca 0.00 0.38 0.11 0.00 1.01 0.00 0.00 58.87 60.37 2kj6 n SER 65 Cb 0.00 1.66 0.01 0.00 -1.01 0.00 0.00 64.21 64.87 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 -1.45 -1.17 3.58 0.23 0.00 -1.24 -4.83 105.19 100.32 2kj6 n GLY 66 Ca 0.00 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.71 6.06 -1.00 1.61 0.01 -1.12 -4.92 113.70 110.63 2kj6 s SER 67 Ca 0.04 0.54 -0.22 0.00 1.31 0.00 0.00 55.95 57.62 2kj6 s SER 67 Cb 0.15 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.91 2kj6 s SER 67 CO 0.81 -1.71 1.38 -0.75 0.41 0.00 0.00 173.24 173.37 2kj6 s LYS 68 N 5.54 3.59 -0.46 12.44 2.20 -1.26 0.26 119.74 142.06 2kj6 s LYS 68 Ca 0.59 -1.27 0.03 0.00 -0.36 0.00 0.00 55.97 54.96 2kj6 s LYS 68 Cb -0.13 -5.26 0.45 0.00 -1.51 0.00 0.00 37.83 31.39 2kj6 s LYS 68 CO 0.27 -2.11 1.56 1.33 -0.36 0.00 0.00 175.35 176.05 2kj6 n VAL 69 N 6.56 3.01 -2.07 4.02 0.24 -0.67 -4.98 118.33 124.45 2kj6 n VAL 69 Ca 0.31 -3.67 -0.31 0.00 -2.04 0.00 0.00 64.34 58.62 2kj6 n VAL 69 Cb 0.51 -1.15 -0.04 0.00 -1.47 0.00 0.00 33.84 31.68 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 -3.70 1.89 -0.13 2.33 0.00 -1.10 -4.85 121.76 116.19 2kj6 s ALA 70 Ca 0.57 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.25 2kj6 s ALA 70 Cb 0.45 -4.46 0.06 0.00 0.00 0.00 0.00 23.12 19.17 2kj6 s ALA 70 CO 0.01 -4.44 0.24 0.54 0.00 0.00 0.00 175.76 172.12 2kj6 s VAL 71 N 9.51 -0.39 -0.13 0.00 0.11 -1.26 -4.98 120.40 123.27 2kj6 s VAL 71 Ca 0.68 0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 59.94 2kj6 s VAL 71 Cb -0.09 -0.44 0.06 0.00 -1.53 0.00 0.00 36.38 34.39 2kj6 s VAL 71 CO 0.07 0.09 0.24 -0.22 -3.33 0.00 0.00 175.10 171.95 2kj6 s LEU 72 N 2.39 -0.26 0.00 2.54 2.96 -1.26 -5.01 118.68 120.05 2kj6 s LEU 72 Ca 0.02 0.50 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 2kj6 s LEU 72 Cb -0.12 0.62 0.00 0.00 0.50 0.00 0.00 46.19 47.18 2kj6 s LEU 72 CO -0.08 -0.25 0.00 -0.24 -1.32 0.00 0.00 176.35 174.46 2kj6 n SER 73 N 5.35 4.42 -2.93 3.68 2.88 -1.26 -4.78 113.62 120.98 2kj6 n SER 73 Ca -0.06 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.12 2kj6 n SER 73 Cb 0.50 0.71 0.00 0.00 -0.75 0.00 0.00 64.21 64.66 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 -1.53 7.22 -0.31 -3.46 5.68 -1.26 -4.65 116.55 118.23 2kj6 n ASP 74 Ca 0.00 -3.55 0.03 0.00 -0.50 0.00 0.00 54.79 50.77 2kj6 n ASP 74 Cb 0.18 -1.16 0.22 0.00 -1.14 0.00 0.00 41.12 39.22 2kj6 n ASP 74 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2kj6 h ASP 75 N 3.31 0.94 -0.34 -1.12 5.19 -1.97 -1.44 116.42 120.99 2kj6 h ASP 75 Ca 0.52 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.89 2kj6 h ASP 75 Cb 0.31 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.60 2kj6 h ASP 75 CO 1.22 0.61 0.06 -1.54 -3.12 0.00 0.00 179.24 176.47 2kj6 n SER 76 N -4.48 3.46 -4.33 6.45 3.41 -1.26 -0.93 113.62 115.95 2kj6 n SER 76 Ca 0.14 -2.55 -0.22 0.00 -0.26 0.00 0.00 58.87 55.98 2kj6 n SER 76 Cb 0.18 -0.61 -0.11 0.00 -0.26 0.00 0.00 64.21 63.40 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 -1.88 1.26 -0.08 4.33 1.81 -0.54 -4.98 118.95 118.86 2kj6 s ARG 77 Ca 0.29 -1.38 -0.30 0.00 -1.72 0.00 0.00 55.73 52.62 2kj6 s ARG 77 Cb 0.22 -1.32 -0.04 0.00 -0.45 0.00 0.00 34.95 33.36 2kj6 s ARG 77 CO 0.08 0.27 1.41 -1.25 -0.68 0.00 0.00 175.30 175.13 2kj6 s PRO 78 N -2.73 4.24 0.65 3.54 0.04 -1.26 -3.89 135.00 135.60 2kj6 s PRO 78 Ca 0.15 1.90 0.31 0.00 0.04 0.00 0.00 61.00 63.39 2kj6 s PRO 78 Cb -0.06 -3.77 1.67 0.00 0.04 0.00 0.00 34.50 32.38 2kj6 s PRO 78 CO 0.06 -0.70 1.94 1.25 0.04 0.00 0.00 177.00 179.59 2kj6 h LEU 79 N 9.45 0.00 -1.13 -3.56 5.85 -1.16 -1.65 115.31 123.12 2kj6 h LEU 79 Ca -0.34 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.30 2kj6 h LEU 79 Cb 1.15 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2kj6 h LEU 79 CO 0.94 0.00 -0.33 1.23 -0.34 0.00 0.00 178.44 179.95 2kj6 h GLY 80 N 0.00 0.21 1.63 3.75 0.00 -1.81 -2.63 103.07 104.21 2kj6 h GLY 80 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2kj6 h GLY 80 CO 0.00 0.16 -0.25 1.97 0.00 0.00 0.00 176.54 178.42 2kj6 n PHE 81 N -4.11 0.53 0.17 5.60 -1.74 -0.62 -3.08 117.46 114.22 2kj6 n PHE 81 Ca -0.01 0.15 0.06 0.00 -0.56 0.00 0.00 57.45 57.09 2kj6 n PHE 81 Cb 0.41 -0.69 0.16 0.00 1.52 0.00 0.00 39.48 40.87 2kj6 n PHE 81 CO 0.00 0.00 0.00 0.35 -0.56 0.00 0.00 176.76 176.55 2kj6 h PHE 82 N 0.00 0.00 -4.62 2.97 3.57 -1.57 -3.49 116.94 113.80 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 0.67 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 2kj6 h PHE 82 CO 0.00 0.35 -0.80 0.43 -2.23 0.00 0.00 178.31 176.07 2kj6 n SER 83 N -3.25 -6.15 -4.86 0.41 7.64 -1.18 -5.03 113.62 101.21 2kj6 n SER 83 Ca 0.02 1.10 -0.30 0.00 1.01 0.00 0.00 58.87 60.69 2kj6 n SER 83 Cb 0.63 -4.32 0.06 0.00 -1.01 0.00 0.00 64.21 59.57 2kj6 n SER 83 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2kj6 s PRO 84 N -1.21 2.62 -0.01 1.43 0.04 -1.26 -5.04 135.00 131.57 2kj6 s PRO 84 Ca -0.02 0.53 -0.02 0.00 0.04 0.00 0.00 61.00 61.54 2kj6 s PRO 84 Cb 0.00 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 2kj6 s PRO 84 CO 0.60 -1.22 0.33 0.35 0.04 0.00 0.00 177.00 177.11 2kj6 h PHE 85 N -0.79 -0.05 0.00 0.56 3.57 -1.99 -3.50 116.94 114.74 2kj6 h PHE 85 Ca -0.46 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.04 2kj6 h PHE 85 Cb 1.26 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.01 2kj6 h PHE 85 CO 0.49 -0.03 0.00 -3.47 -2.23 0.00 0.00 178.31 173.07 2kj6 n ASP 86 N -2.40 -0.18 -3.49 0.41 -0.08 -1.26 -5.09 116.55 104.46 2kj6 n ASP 86 Ca -0.01 0.09 -0.26 0.00 -1.51 0.00 0.00 54.79 53.10 2kj6 n ASP 86 Cb 0.02 0.34 -0.13 0.00 2.34 0.00 0.00 41.12 43.70 2kj6 n ASP 86 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2kj6 s GLY 87 N -1.14 0.45 0.66 0.27 0.00 -1.26 -0.59 107.32 105.71 2kj6 s GLY 87 Ca 0.00 -1.15 -0.10 0.00 0.00 0.00 0.00 44.72 43.47 2kj6 s GLY 87 CO 0.00 2.21 1.04 -1.36 0.00 0.00 0.00 173.10 174.99 2kj6 s PHE 88 N 1.86 3.41 -0.63 1.90 0.08 -1.25 -4.64 117.98 118.70 2kj6 s PHE 88 Ca 0.12 1.05 -0.18 0.00 0.12 0.00 0.00 56.93 58.04 2kj6 s PHE 88 Cb -0.17 -2.90 0.12 0.00 -0.57 0.00 0.00 43.02 39.49 2kj6 s PHE 88 CO -0.25 -0.97 0.72 1.03 -0.10 0.00 0.00 175.22 175.64 2kj6 s ARG 89 N -5.24 3.12 -1.15 0.44 1.81 0.78 -2.06 118.95 116.65 2kj6 s ARG 89 Ca 0.56 -1.49 -0.18 0.00 -1.72 0.00 0.00 55.73 52.91 2kj6 s ARG 89 Cb -0.11 -4.33 0.11 0.00 -0.45 0.00 0.00 34.95 30.18 2kj6 s ARG 89 CO 0.51 -1.52 1.46 -0.51 -0.68 0.00 0.00 175.30 174.57 2kj6 s LEU 90 N 2.37 4.43 -0.65 2.53 1.43 -0.51 -1.32 118.68 126.96 2kj6 s LEU 90 Ca 0.12 -2.38 -0.23 0.00 -1.03 0.00 0.00 54.13 50.62 2kj6 s LEU 90 Cb -0.22 -2.48 0.07 0.00 0.03 0.00 0.00 46.19 43.58 2kj6 s LEU 90 CO 0.04 -1.06 0.96 -2.28 0.23 0.00 0.00 176.35 174.24 2kj6 s HIS 91 N 3.16 2.68 -0.20 0.29 2.46 -1.05 -2.40 115.29 120.23 2kj6 s HIS 91 Ca 0.45 -0.49 -0.29 0.00 0.47 0.00 0.00 55.06 55.20 2kj6 s HIS 91 Cb -0.01 -4.27 -0.03 0.00 -0.13 0.00 0.00 32.58 28.14 2kj6 s HIS 91 CO -0.01 -1.62 1.64 0.42 -2.47 0.00 0.00 174.74 172.70 2kj6 s ILE 92 N 4.07 3.66 -0.65 0.89 1.01 0.31 -3.25 121.20 127.24 2kj6 s ILE 92 Ca 0.23 0.74 -0.26 0.00 0.00 0.00 0.00 60.65 61.37 2kj6 s ILE 92 Cb -0.16 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 38.69 2kj6 s ILE 92 CO 0.11 -0.26 1.12 -0.63 0.00 0.00 0.00 174.94 175.29 2kj6 s ILE 93 N 5.17 4.05 -0.95 2.92 -1.09 0.21 -1.96 121.20 129.56 2kj6 s ILE 93 Ca 0.73 0.34 -0.24 0.00 -2.23 0.00 0.00 60.65 59.24 2kj6 s ILE 93 Cb -0.26 -4.75 -0.05 0.00 -1.58 0.00 0.00 42.46 35.82 2kj6 s ILE 93 CO 0.29 -1.50 1.92 -1.81 -1.23 0.00 0.00 174.94 172.62 2kj6 s ASP 94 N 3.36 5.20 -0.01 3.58 1.01 -1.26 -2.58 116.67 125.96 2kj6 s ASP 94 Ca 0.33 -0.87 0.04 0.00 0.71 0.00 0.00 52.55 52.77 2kj6 s ASP 94 Cb -0.11 -2.56 0.14 0.00 1.01 0.00 0.00 42.92 41.40 2kj6 s ASP 94 CO 0.17 -2.73 1.02 -0.11 0.21 0.00 0.00 175.17 173.74 2kj6 n LEU 95 N 13.78 1.07 -4.08 1.23 -0.00 -1.26 -4.56 117.00 123.17 2kj6 n LEU 95 Ca 0.41 -0.54 -0.36 0.00 -0.00 0.00 0.00 56.01 55.53 2kj6 n LEU 95 Cb 0.47 -0.20 -0.11 0.00 -0.00 0.00 0.00 43.42 43.58 2kj6 n LEU 95 CO 0.61 0.23 -0.06 -0.62 -0.00 0.00 0.00 177.39 177.56 2kj6 s ASP 96 N -0.80 5.13 0.00 1.96 2.15 -1.26 -4.87 116.67 118.98 2kj6 s ASP 96 Ca 0.10 -2.61 0.32 0.00 0.43 0.00 0.00 52.55 50.78 2kj6 s ASP 96 Cb 0.06 -1.82 1.81 0.00 -0.30 0.00 0.00 42.92 42.67 2kj6 s ASP 96 CO 0.06 -0.41 2.17 -0.81 -0.17 0.00 0.00 175.17 176.02