#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 3.18 2.94 3.17 0.00 -1.26 -5.14 105.19 108.08 2kj6 n GLY 2 Ca 0.00 -1.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 2kj6 n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2kj6 s HIS 3 N 2.85 -0.28 -0.02 1.61 -0.00 -1.26 -5.14 115.29 113.05 2kj6 s HIS 3 Ca 0.00 0.73 -0.23 0.00 -0.00 0.00 0.00 55.06 55.56 2kj6 s HIS 3 Cb 0.00 -0.11 -0.05 0.00 -0.00 0.00 0.00 32.58 32.43 2kj6 s HIS 3 CO 0.00 -0.27 0.68 -3.38 -0.00 0.00 0.00 174.74 171.77 2kj6 s HIS 4 N 1.94 3.65 -0.34 0.38 0.00 -1.26 -5.03 115.29 114.63 2kj6 s HIS 4 Ca -0.02 1.28 -0.01 0.00 -3.00 0.00 0.00 55.06 53.31 2kj6 s HIS 4 Cb -0.12 -2.74 0.13 0.00 -4.00 0.00 0.00 32.58 25.86 2kj6 s HIS 4 CO -0.07 0.22 0.19 -3.38 -1.00 0.00 0.00 174.74 170.70 2kj6 s HIS 5 N 0.26 0.69 -0.30 0.38 -0.00 -1.26 -5.10 115.29 109.97 2kj6 s HIS 5 Ca 0.35 -1.49 -0.06 0.00 -0.00 0.00 0.00 55.06 53.86 2kj6 s HIS 5 Cb -0.18 -0.96 0.01 0.00 -0.00 0.00 0.00 32.58 31.44 2kj6 s HIS 5 CO 0.19 -0.83 0.08 -3.38 -0.00 0.00 0.00 174.74 170.79 2kj6 s HIS 6 N 1.29 3.15 -0.36 0.38 0.00 -1.26 -5.06 115.29 113.43 2kj6 s HIS 6 Ca 0.16 -1.05 -0.09 0.00 -3.00 0.00 0.00 55.06 51.08 2kj6 s HIS 6 Cb -0.21 -2.25 0.03 0.00 -4.00 0.00 0.00 32.58 26.15 2kj6 s HIS 6 CO -0.08 -0.60 0.16 -1.01 -1.00 0.00 0.00 174.74 172.21 2kj6 s HIS 7 N 1.48 3.25 -0.36 0.38 0.09 -1.26 -5.05 115.29 113.82 2kj6 s HIS 7 Ca 0.02 -1.15 -0.04 0.00 -0.00 0.00 0.00 55.06 53.88 2kj6 s HIS 7 Cb -0.17 -2.37 0.07 0.00 -0.00 0.00 0.00 32.58 30.10 2kj6 s HIS 7 CO 0.02 -0.68 0.13 -1.58 -0.00 0.00 0.00 174.74 172.63 2kj6 s HIS 8 N 1.49 3.37 -0.02 1.40 5.04 -1.26 -5.06 115.29 120.25 2kj6 s HIS 8 Ca 0.00 -1.87 -0.30 0.00 -1.54 0.00 0.00 55.06 51.36 2kj6 s HIS 8 Cb -0.19 -2.61 -0.08 0.00 0.04 0.00 0.00 32.58 29.74 2kj6 s HIS 8 CO 0.05 -0.84 1.99 -1.54 -2.34 0.00 0.00 174.74 172.06 2kj6 s SER 9 N 1.59 6.27 -0.28 9.88 1.04 -1.26 -4.94 113.70 126.00 2kj6 s SER 9 Ca 0.01 2.48 0.01 0.00 0.48 0.00 0.00 55.95 58.93 2kj6 s SER 9 Cb -0.21 -2.53 0.17 0.00 0.10 0.00 0.00 66.02 63.56 2kj6 s SER 9 CO -0.01 -1.22 0.51 -1.00 0.98 0.00 0.00 173.24 172.50 2kj6 s HIS 10 N 5.17 -1.39 -1.26 5.02 4.02 -1.26 -5.06 115.29 120.54 2kj6 s HIS 10 Ca 0.89 1.04 -0.16 0.00 1.02 0.00 0.00 55.06 57.86 2kj6 s HIS 10 Cb -0.40 0.22 -0.03 0.00 -1.02 0.00 0.00 32.58 31.35 2kj6 s HIS 10 CO 0.39 -0.93 2.20 0.41 1.02 0.00 0.00 174.74 177.83 2kj6 n GLY 11 N 5.40 3.84 3.84 -2.22 0.00 -1.26 -4.95 105.19 109.84 2kj6 n GLY 11 Ca 0.01 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 2kj6 n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kj6 s ASP 12 N 3.64 6.45 -0.49 1.61 2.15 -1.26 -5.02 116.67 123.74 2kj6 s ASP 12 Ca 0.51 1.57 -0.12 0.00 0.43 0.00 0.00 52.55 54.94 2kj6 s ASP 12 Cb 0.14 -2.50 0.12 0.00 -0.30 0.00 0.00 42.92 40.38 2kj6 s ASP 12 CO -0.03 -0.71 0.40 -0.62 -0.17 0.00 0.00 175.17 174.04 2kj6 s ASP 13 N -3.25 5.90 -0.16 -0.34 2.15 -1.26 -5.02 116.67 114.69 2kj6 s ASP 13 Ca 0.59 -1.81 -0.18 0.00 0.43 0.00 0.00 52.55 51.57 2kj6 s ASP 13 Cb -0.11 -2.09 0.05 0.00 -0.30 0.00 0.00 42.92 40.47 2kj6 s ASP 13 CO 0.36 -0.74 0.49 -0.44 -0.17 0.00 0.00 175.17 174.67 2kj6 s SER 14 N 2.98 -0.50 0.40 -0.34 0.01 -1.26 -4.27 113.70 110.71 2kj6 s SER 14 Ca 0.04 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.20 2kj6 s SER 14 Cb -0.27 0.91 -0.02 0.00 0.21 0.00 0.00 66.02 66.85 2kj6 s SER 14 CO 0.01 -0.23 0.61 0.68 0.41 0.00 0.00 173.24 174.72 2kj6 s VAL 15 N -0.00 4.57 -1.03 3.43 -7.23 -0.37 -4.81 120.40 114.95 2kj6 s VAL 15 Ca -0.02 -0.47 -0.05 0.00 -1.81 0.00 0.00 61.98 59.63 2kj6 s VAL 15 Cb -0.03 -3.67 0.27 0.00 0.56 0.00 0.00 36.38 33.50 2kj6 s VAL 15 CO 0.02 -0.46 1.11 1.41 -0.31 0.00 0.00 175.10 176.87 2kj6 n HIS 16 N -1.93 4.17 -2.22 2.82 8.25 0.10 -2.38 115.22 124.03 2kj6 n HIS 16 Ca -0.02 -3.64 -0.43 0.00 -0.26 0.00 0.00 57.72 53.37 2kj6 n HIS 16 Cb 0.57 -1.39 -0.02 0.00 1.12 0.00 0.00 29.99 30.26 2kj6 n HIS 16 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2kj6 s LEU 17 N -1.77 4.06 -0.90 2.41 1.43 -1.13 -4.00 118.68 118.78 2kj6 s LEU 17 Ca 0.31 1.71 -0.24 0.00 -1.03 0.00 0.00 54.13 54.88 2kj6 s LEU 17 Cb -0.04 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.70 2kj6 s LEU 17 CO -0.04 -1.02 1.34 -1.00 0.23 0.00 0.00 176.35 175.86 2kj6 s HIS 18 N 4.35 2.51 -0.45 0.29 3.76 -0.72 -2.23 115.29 122.79 2kj6 s HIS 18 Ca 0.65 -0.62 -0.26 0.00 -0.15 0.00 0.00 55.06 54.68 2kj6 s HIS 18 Cb -0.25 -4.62 0.03 0.00 1.11 0.00 0.00 32.58 28.85 2kj6 s HIS 18 CO 0.24 -1.93 0.95 0.42 -0.85 0.00 0.00 174.74 173.57 2kj6 s ILE 19 N 4.98 4.45 -0.23 0.60 1.01 -0.10 -1.16 121.20 130.75 2kj6 s ILE 19 Ca 0.40 0.85 -0.02 0.00 0.00 0.00 0.00 60.65 61.88 2kj6 s ILE 19 Cb -0.04 -4.45 0.01 0.00 0.01 0.00 0.00 42.46 38.00 2kj6 s ILE 19 CO -0.01 -0.83 -0.07 0.42 0.00 0.00 0.00 174.94 174.45 2kj6 s THR 20 N 3.82 2.98 -0.22 2.92 -4.23 0.90 -3.63 115.64 118.17 2kj6 s THR 20 Ca 0.39 -0.82 -0.25 0.00 -1.18 0.00 0.00 61.69 59.83 2kj6 s THR 20 Cb -0.10 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.31 2kj6 s THR 20 CO 0.26 0.31 0.83 -2.28 -0.54 0.00 0.00 174.62 173.21 2kj6 s HIS 21 N 1.38 3.34 -0.36 3.99 2.46 -1.26 -0.80 115.29 124.03 2kj6 s HIS 21 Ca 0.03 1.16 0.19 0.00 0.47 0.00 0.00 55.06 56.91 2kj6 s HIS 21 Cb -0.15 -3.04 0.98 0.00 -0.13 0.00 0.00 32.58 30.24 2kj6 s HIS 21 CO -0.05 -0.36 1.58 0.00 -2.47 0.00 0.00 174.74 173.44 2kj6 n ALA 22 N 5.80 1.14 0.27 1.58 0.00 -1.12 -0.83 120.51 127.36 2kj6 n ALA 22 Ca 0.05 0.15 0.16 0.00 0.00 0.00 0.00 53.44 53.81 2kj6 n ALA 22 Cb 0.48 -1.28 0.64 0.00 0.00 0.00 0.00 19.45 19.29 2kj6 n ALA 22 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2kj6 h ASN 23 N 0.00 0.00 -3.26 0.00 4.21 -1.90 -3.43 115.58 111.19 2kj6 h ASN 23 Ca 0.00 0.00 -0.64 0.00 1.21 0.00 0.00 56.30 56.87 2kj6 h ASN 23 Cb 0.06 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 37.12 2kj6 h ASN 23 CO 0.00 0.03 -0.72 -0.76 -1.29 0.00 0.00 177.43 174.69 2kj6 s LEU 24 N -6.27 3.06 0.01 1.61 1.02 -0.01 -5.05 118.68 113.05 2kj6 s LEU 24 Ca 0.01 -0.46 -0.25 0.00 0.02 0.00 0.00 54.13 53.46 2kj6 s LEU 24 Cb 0.09 -1.79 -0.18 0.00 0.02 0.00 0.00 46.19 44.33 2kj6 s LEU 24 CO 0.56 0.14 1.33 0.50 0.02 0.00 0.00 176.35 178.89 2kj6 h LYS 25 N 3.22 -0.21 -3.23 1.70 3.64 -1.84 -3.42 116.57 116.43 2kj6 h LYS 25 Ca -0.48 0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 58.36 2kj6 h LYS 25 Cb 1.19 0.05 -0.40 0.00 -0.41 0.00 0.00 32.23 32.65 2kj6 h LYS 25 CO 0.54 0.12 -0.77 0.45 -2.27 0.00 0.00 179.45 177.52 2kj6 s SER 26 N -5.29 3.77 -0.76 4.20 0.15 -1.26 -5.06 113.70 109.45 2kj6 s SER 26 Ca -0.15 -1.45 -0.12 0.00 0.70 0.00 0.00 55.95 54.93 2kj6 s SER 26 Cb 0.03 -0.64 0.20 0.00 -1.71 0.00 0.00 66.02 63.90 2kj6 s SER 26 CO 0.61 -0.42 0.68 0.12 1.20 0.00 0.00 173.24 175.42 2kj6 s PHE 27 N 1.83 3.65 -1.12 3.44 5.36 -1.26 -5.00 117.98 124.88 2kj6 s PHE 27 Ca 0.09 -2.08 -0.20 0.00 -0.96 0.00 0.00 56.93 53.78 2kj6 s PHE 27 Cb -0.17 -3.69 0.08 0.00 -0.34 0.00 0.00 43.02 38.90 2kj6 s PHE 27 CO -0.29 -0.96 1.51 -1.54 -1.46 0.00 0.00 175.22 172.47 2kj6 s SER 28 N 1.99 6.68 -0.54 6.13 1.04 -1.26 -4.15 113.70 123.59 2kj6 s SER 28 Ca 0.16 -2.00 0.04 0.00 0.48 0.00 0.00 55.95 54.63 2kj6 s SER 28 Cb -0.14 -2.54 0.15 0.00 0.10 0.00 0.00 66.02 63.60 2kj6 s SER 28 CO -0.07 -1.27 0.34 0.00 0.98 0.00 0.00 173.24 173.22 2kj6 s ALA 29 N 4.14 2.78 -0.98 5.32 0.00 -1.24 -5.03 121.76 126.75 2kj6 s ALA 29 Ca 0.47 -3.10 -0.17 0.00 0.00 0.00 0.00 51.96 49.16 2kj6 s ALA 29 Cb 0.01 -1.98 0.16 0.00 0.00 0.00 0.00 23.12 21.30 2kj6 s ALA 29 CO -0.03 -2.05 1.14 0.16 0.00 0.00 0.00 175.76 174.98 2kj6 s ASP 30 N -0.40 6.76 0.02 0.00 -4.77 -1.25 -0.93 116.67 116.10 2kj6 s ASP 30 Ca 0.22 -2.37 -0.23 0.00 -3.30 0.00 0.00 52.55 46.88 2kj6 s ASP 30 Cb -0.14 -2.37 -0.05 0.00 -1.09 0.00 0.00 42.92 39.27 2kj6 s ASP 30 CO -0.08 -0.91 0.68 0.00 0.70 0.00 0.00 175.17 175.56 2kj6 s ALA 31 N 2.00 3.42 -0.23 2.11 0.00 -0.95 -4.72 121.76 123.40 2kj6 s ALA 31 Ca 0.33 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.15 2kj6 s ALA 31 Cb -0.05 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.17 2kj6 s ALA 31 CO -0.08 0.10 1.49 -0.98 0.00 0.00 0.00 175.76 176.30 2kj6 s ARG 32 N -0.08 3.89 -0.04 0.00 1.70 -1.26 -2.83 118.95 120.34 2kj6 s ARG 32 Ca 0.35 1.57 0.05 0.00 -0.47 0.00 0.00 55.73 57.23 2kj6 s ARG 32 Cb -0.19 -3.96 -0.01 0.00 -0.57 0.00 0.00 34.95 30.22 2kj6 s ARG 32 CO 0.20 -1.16 -0.19 -0.06 -1.08 0.00 0.00 175.30 173.01 2kj6 s PHE 33 N 4.73 1.86 0.00 5.89 0.08 -1.00 -4.93 117.98 124.61 2kj6 s PHE 33 Ca 0.65 -0.51 -0.30 0.00 0.12 0.00 0.00 56.93 56.89 2kj6 s PHE 33 Cb -0.23 -1.23 -0.07 0.00 -0.57 0.00 0.00 43.02 40.92 2kj6 s PHE 33 CO 0.26 -0.15 1.69 0.45 -0.10 0.00 0.00 175.22 177.36 2kj6 s SER 34 N -0.08 6.62 0.00 1.36 0.15 -1.26 -1.24 113.70 119.25 2kj6 s SER 34 Ca -0.02 2.38 0.00 0.00 0.70 0.00 0.00 55.95 59.01 2kj6 s SER 34 Cb -0.11 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2kj6 s SER 34 CO 0.02 -0.92 0.50 -0.81 1.20 0.00 0.00 173.24 173.22 2kj6 n PRO 35 N 6.58 0.59 -0.04 5.44 -0.04 -1.26 -1.87 135.00 144.40 2kj6 n PRO 35 Ca 0.17 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 2kj6 n PRO 35 Cb 0.42 -1.09 0.35 0.00 -0.04 0.00 0.00 33.50 33.14 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 -0.28 1.94 -3.08 0.54 1.13 -1.26 -1.93 117.38 114.43 2kj6 n GLN 36 Ca 0.00 -1.38 -0.39 0.00 -1.94 0.00 0.00 57.00 53.29 2kj6 n GLN 36 Cb 0.05 -1.46 -0.05 0.00 0.11 0.00 0.00 30.24 28.89 2kj6 n GLN 36 CO 0.00 0.00 0.00 1.41 -1.44 0.00 0.00 177.06 177.03 2kj6 s MET 37 N -1.89 4.42 0.44 -1.09 1.75 -0.78 -4.91 119.30 117.24 2kj6 s MET 37 Ca 0.34 0.82 -0.01 0.00 -1.25 0.00 0.00 55.69 55.60 2kj6 s MET 37 Cb 0.20 -3.44 -0.01 0.00 2.84 0.00 0.00 34.83 34.41 2kj6 s MET 37 CO 0.31 0.08 0.68 -1.54 -0.65 0.00 0.00 175.02 173.90 2kj6 s SER 38 N 0.75 5.98 0.30 1.11 1.04 -1.26 -4.69 113.70 116.93 2kj6 s SER 38 Ca 0.36 0.45 0.03 0.00 0.48 0.00 0.00 55.95 57.27 2kj6 s SER 38 Cb -0.17 -1.76 0.47 0.00 0.10 0.00 0.00 66.02 64.65 2kj6 s SER 38 CO 0.17 -0.62 1.77 0.58 0.98 0.00 0.00 173.24 176.12 2kj6 h VAL 39 N 0.41 1.24 -0.71 5.02 2.07 -1.70 -2.82 116.25 119.76 2kj6 h VAL 39 Ca -0.47 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 65.97 2kj6 h VAL 39 Cb 1.24 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 2kj6 h VAL 39 CO 0.59 0.36 0.43 -0.08 0.02 0.00 0.00 177.57 178.89 2kj6 h GLU 40 N 0.45 0.79 -0.10 1.57 4.81 -1.92 -2.55 114.58 117.63 2kj6 h GLU 40 Ca 0.08 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2kj6 h GLU 40 Cb 0.57 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2kj6 h GLU 40 CO 0.04 0.52 0.01 0.00 -0.73 0.00 0.00 179.01 178.86 2kj6 h ALA 41 N 1.33 0.13 0.00 2.92 0.00 -1.82 -3.02 119.26 118.81 2kj6 h ALA 41 Ca 0.30 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2kj6 h ALA 41 Cb 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2kj6 h ALA 41 CO -0.14 -0.22 -0.32 -0.24 0.00 0.00 0.00 179.25 178.33 2kj6 h VAL 42 N -0.07 1.13 0.72 0.00 3.04 -1.41 -1.55 116.25 118.11 2kj6 h VAL 42 Ca 0.03 -1.12 -0.04 0.00 -1.01 0.00 0.00 66.70 64.57 2kj6 h VAL 42 Cb 0.29 1.62 0.01 0.00 -2.01 0.00 0.00 31.29 31.20 2kj6 h VAL 42 CO 0.00 0.31 -0.35 0.11 -1.01 0.00 0.00 177.57 176.63 2kj6 h LYS 43 N 0.00 -0.93 0.00 4.17 1.79 -1.38 -3.09 116.57 117.12 2kj6 h LYS 43 Ca -0.00 0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.49 2kj6 h LYS 43 Cb 0.59 0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.45 2kj6 h LYS 43 CO 0.04 -0.62 -0.18 0.93 -1.08 0.00 0.00 179.45 178.54 2kj6 h GLU 44 N -1.23 0.00 -0.61 3.15 5.08 -1.47 -0.23 114.58 119.27 2kj6 h GLU 44 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2kj6 h GLU 44 Cb 0.74 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 2kj6 h GLU 44 CO 0.16 0.18 0.38 -0.22 -1.00 0.00 0.00 179.01 178.51 2kj6 h LYS 45 N 0.00 0.81 0.02 2.33 3.64 -1.29 0.87 116.57 122.94 2kj6 h LYS 45 Ca -0.00 -0.06 -0.24 0.00 -1.27 0.00 0.00 60.65 59.08 2kj6 h LYS 45 Cb 0.52 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 2kj6 h LYS 45 CO 0.02 0.56 -1.21 -0.07 -2.27 0.00 0.00 179.45 176.49 2kj6 h LEU 46 N 0.82 0.06 -0.04 5.20 3.38 -1.40 -3.21 115.31 120.12 2kj6 h LEU 46 Ca 0.22 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2kj6 h LEU 46 Cb -0.05 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2kj6 h LEU 46 CO -0.04 1.06 0.02 -0.25 0.09 0.00 0.00 178.44 179.32 2kj6 h TRP 47 N 0.01 0.05 0.00 1.13 7.01 -0.62 0.15 115.95 123.68 2kj6 h TRP 47 Ca -0.09 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 60.85 2kj6 h TRP 47 Cb 1.85 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.89 2kj6 h TRP 47 CO 0.01 0.04 -0.25 1.57 -2.79 0.00 0.00 178.44 177.01 2kj6 h LYS 48 N 0.05 0.00 0.00 2.65 2.10 -0.97 0.16 116.57 120.56 2kj6 h LYS 48 Ca 0.01 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.64 2kj6 h LYS 48 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2kj6 h LYS 48 CO -0.00 0.25 -0.13 -0.22 -2.00 0.00 0.00 179.45 177.35 2kj6 h LYS 49 N 0.00 0.00 0.03 0.07 3.64 -1.41 -3.39 116.57 115.50 2kj6 h LYS 49 Ca -0.00 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.05 2kj6 h LYS 49 Cb 0.66 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 2kj6 h LYS 49 CO 0.03 0.94 -1.98 0.00 -2.27 0.00 0.00 179.45 176.17 2kj6 n GLY 51 N 1.75 0.12 3.19 0.00 0.00 0.55 -5.07 105.19 105.72 2kj6 n GLY 51 Ca -0.26 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.15 0.15 -0.27 2.61 -1.32 -1.26 -5.10 115.64 107.31 2kj6 s THR 52 Ca 0.07 -1.23 -0.21 0.00 -1.21 0.00 0.00 61.69 59.11 2kj6 s THR 52 Cb -0.01 -1.31 -0.01 0.00 -1.51 0.00 0.00 72.50 69.66 2kj6 s THR 52 CO 0.29 -0.68 0.64 -0.94 -2.21 0.00 0.00 174.62 171.72 2kj6 s SER 53 N -2.78 6.56 -0.35 8.08 1.04 -1.26 -4.77 113.70 120.23 2kj6 s SER 53 Ca 0.04 0.63 -0.02 0.00 0.48 0.00 0.00 55.95 57.08 2kj6 s SER 53 Cb 0.05 -2.34 0.18 0.00 0.10 0.00 0.00 66.02 64.00 2kj6 s SER 53 CO -0.10 -0.42 2.22 1.33 0.98 0.00 0.00 173.24 177.25 2kj6 n VAL 54 N 5.28 2.93 0.08 5.02 0.24 -1.26 -4.40 118.33 126.22 2kj6 n VAL 54 Ca -0.00 -2.00 -0.16 0.00 -2.04 0.00 0.00 64.34 60.14 2kj6 n VAL 54 Cb 0.49 -1.40 -0.14 0.00 -1.47 0.00 0.00 33.84 31.31 2kj6 n VAL 54 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 2kj6 h ASN 55 N 1.87 0.39 -0.07 -1.34 -1.24 -2.02 -3.26 115.58 109.91 2kj6 h ASN 55 Ca 0.32 -0.47 0.00 0.00 0.71 0.00 0.00 56.30 56.86 2kj6 h ASN 55 Cb 0.87 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 39.80 2kj6 h ASN 55 CO 0.80 1.38 0.00 -1.54 -1.29 0.00 0.00 177.43 176.78 2kj6 n SER 56 N -3.48 0.61 -4.01 1.15 3.41 -1.26 -4.47 113.62 105.58 2kj6 n SER 56 Ca -0.12 -1.59 -0.32 0.00 -0.26 0.00 0.00 58.87 56.58 2kj6 n SER 56 Cb 1.03 -0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 64.80 2kj6 n SER 56 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2kj6 s MET 57 N -1.91 1.90 0.30 4.33 -2.45 -1.23 -0.83 119.30 119.40 2kj6 s MET 57 Ca 0.26 -2.29 -0.05 0.00 -1.25 0.00 0.00 55.69 52.36 2kj6 s MET 57 Cb 0.13 -3.37 -0.05 0.00 1.25 0.00 0.00 34.83 32.79 2kj6 s MET 57 CO 0.21 -1.06 0.57 0.00 1.05 0.00 0.00 175.02 175.79 2kj6 s ALA 58 N 0.27 3.60 -0.45 4.11 0.00 -0.06 -4.91 121.76 124.32 2kj6 s ALA 58 Ca 0.14 -0.53 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 2kj6 s ALA 58 Cb -0.23 -2.34 0.12 0.00 0.00 0.00 0.00 23.12 20.68 2kj6 s ALA 58 CO -0.03 0.22 0.22 -0.51 0.00 0.00 0.00 175.76 175.66 2kj6 s LEU 59 N -3.57 5.00 -0.96 0.00 1.43 -1.26 -0.33 118.68 118.99 2kj6 s LEU 59 Ca 0.45 -2.37 -0.22 0.00 -1.03 0.00 0.00 54.13 50.95 2kj6 s LEU 59 Cb -0.11 -1.76 0.07 0.00 0.03 0.00 0.00 46.19 44.42 2kj6 s LEU 59 CO 0.30 -0.42 1.34 -1.61 0.23 0.00 0.00 176.35 176.18 2kj6 s GLU 60 N 0.63 3.53 -0.68 1.70 0.41 -0.96 -4.96 118.70 118.37 2kj6 s GLU 60 Ca 0.12 -1.17 -0.26 0.00 -0.41 0.00 0.00 54.97 53.25 2kj6 s GLU 60 Cb -0.22 -5.09 0.04 0.00 -1.78 0.00 0.00 34.13 27.08 2kj6 s GLU 60 CO -0.04 -2.08 1.16 -1.17 -0.49 0.00 0.00 175.26 172.64 2kj6 s LEU 61 N 4.48 3.56 0.26 1.80 2.96 -1.26 -1.92 118.68 128.56 2kj6 s LEU 61 Ca 0.41 -0.46 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 2kj6 s LEU 61 Cb -0.03 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 2kj6 s LEU 61 CO -0.07 -1.63 0.40 -0.31 -1.32 0.00 0.00 176.35 173.42 2kj6 s TYR 62 N 5.07 3.47 0.00 5.38 2.02 0.78 -0.48 117.35 133.59 2kj6 s TYR 62 Ca 0.33 0.09 0.00 0.00 -0.37 0.00 0.00 57.07 57.13 2kj6 s TYR 62 Cb -0.10 -1.67 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 2kj6 s TYR 62 CO 0.16 0.37 0.00 -0.40 -1.57 0.00 0.00 175.55 174.11 2kj6 n ASP 63 N -1.40 0.42 0.11 2.29 5.75 -0.58 -1.85 116.55 121.30 2kj6 n ASP 63 Ca -0.08 -0.46 -0.02 0.00 -0.01 0.00 0.00 54.79 54.23 2kj6 n ASP 63 Cb 0.56 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.65 2kj6 n ASP 63 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2kj6 h ASP 64 N 0.00 0.00 -0.13 -1.12 1.82 -1.94 -3.28 116.42 111.76 2kj6 h ASP 64 Ca 0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.56 2kj6 h ASP 64 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2kj6 h ASP 64 CO 0.00 0.71 -0.23 -1.28 -1.61 0.00 0.00 179.24 176.83 2kj6 h SER 65 N 0.00 0.43 0.00 2.28 0.87 -2.05 -3.48 113.55 111.61 2kj6 h SER 65 Ca -0.01 -0.54 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 2kj6 h SER 65 Cb 1.50 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 2kj6 h SER 65 CO 0.09 0.89 0.00 0.61 -0.53 0.00 0.00 176.83 177.90 2kj6 n GLY 66 N 0.38 1.22 3.37 5.77 0.00 -1.24 -5.15 105.19 109.54 2kj6 n GLY 66 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.48 2.84 -0.44 1.61 0.01 -1.26 -4.91 113.70 110.06 2kj6 s SER 67 Ca 0.00 -0.95 -0.25 0.00 1.31 0.00 0.00 55.95 56.05 2kj6 s SER 67 Cb 0.00 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.07 2kj6 s SER 67 CO 0.00 -0.07 0.91 -1.59 0.41 0.00 0.00 173.24 172.90 2kj6 s LYS 68 N -3.25 3.60 0.00 12.44 -2.85 -1.26 -1.53 119.74 126.89 2kj6 s LYS 68 Ca 0.21 0.24 0.28 0.00 -1.00 0.00 0.00 55.97 55.70 2kj6 s LYS 68 Cb -0.04 -3.90 1.00 0.00 -2.06 0.00 0.00 37.83 32.83 2kj6 s LYS 68 CO 0.08 -1.14 1.72 1.33 0.10 0.00 0.00 175.35 177.44 2kj6 n VAL 69 N 6.29 0.00 -2.12 1.79 0.24 0.37 -4.75 118.33 120.15 2kj6 n VAL 69 Ca 0.06 -0.06 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 2kj6 n VAL 69 Cb 0.48 0.04 -0.02 0.00 -1.47 0.00 0.00 33.84 32.87 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 -2.61 2.96 -1.28 2.33 0.00 -1.23 -4.80 121.76 117.12 2kj6 s ALA 70 Ca 0.24 0.16 0.10 0.00 0.00 0.00 0.00 51.96 52.46 2kj6 s ALA 70 Cb 0.19 -3.98 0.10 0.00 0.00 0.00 0.00 23.12 19.43 2kj6 s ALA 70 CO 0.53 -2.49 0.86 1.55 0.00 0.00 0.00 175.76 176.20 2kj6 n VAL 71 N 7.24 0.07 -0.47 0.00 3.14 -1.26 -4.97 118.33 122.08 2kj6 n VAL 71 Ca 0.21 -0.53 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 2kj6 n VAL 71 Cb 0.47 1.17 0.00 0.00 -1.06 0.00 0.00 33.84 34.42 2kj6 n VAL 71 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2kj6 n LEU 72 N 0.58 0.20 0.12 6.55 7.99 -1.26 -4.71 117.00 126.48 2kj6 n LEU 72 Ca 0.06 0.00 0.12 0.00 -0.01 0.00 0.00 56.01 56.18 2kj6 n LEU 72 Cb 0.27 -0.37 0.14 0.00 -0.11 0.00 0.00 43.42 43.35 2kj6 n LEU 72 CO 0.07 -0.10 0.43 0.28 -1.51 0.00 0.00 177.39 176.55 2kj6 h SER 73 N 0.00 0.00 0.32 -1.43 0.02 -1.96 -3.24 113.55 107.25 2kj6 h SER 73 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2kj6 h SER 73 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kj6 h SER 73 CO 0.00 0.03 0.00 -0.90 -1.14 0.00 0.00 176.83 174.82 2kj6 n ASP 74 N -2.59 0.00 0.29 3.07 5.75 -1.26 -3.55 116.55 118.25 2kj6 n ASP 74 Ca 0.03 -0.32 0.14 0.00 -0.01 0.00 0.00 54.79 54.62 2kj6 n ASP 74 Cb 0.50 -0.19 0.85 0.00 -1.03 0.00 0.00 41.12 41.25 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 0.00 0.00 0.00 -1.12 2.03 -1.95 -2.70 116.42 112.68 2kj6 h ASP 75 Ca 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.28 2kj6 h ASP 75 Cb 0.16 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.61 2kj6 h ASP 75 CO 0.00 0.02 -0.38 -1.54 -1.03 0.00 0.00 179.24 176.31 2kj6 n SER 76 N -3.93 1.26 -4.21 4.15 3.41 -1.23 -2.36 113.62 110.71 2kj6 n SER 76 Ca -0.03 -2.68 -0.29 0.00 -0.26 0.00 0.00 58.87 55.61 2kj6 n SER 76 Cb 0.10 -0.35 -0.16 0.00 -0.26 0.00 0.00 64.21 63.55 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 -1.54 2.12 -0.05 4.33 1.81 -1.02 -5.07 118.95 119.53 2kj6 s ARG 77 Ca 0.22 -0.76 -0.30 0.00 -1.72 0.00 0.00 55.73 53.17 2kj6 s ARG 77 Cb 0.21 -1.84 -0.08 0.00 -0.45 0.00 0.00 34.95 32.79 2kj6 s ARG 77 CO -0.02 0.33 2.06 -0.35 -0.68 0.00 0.00 175.30 176.64 2kj6 n PRO 78 N 2.98 2.54 -0.36 3.54 -0.04 -1.26 -4.86 135.00 137.54 2kj6 n PRO 78 Ca -0.17 0.87 0.06 0.00 -0.04 0.00 0.00 63.50 64.21 2kj6 n PRO 78 Cb 0.52 -3.07 0.22 0.00 -0.04 0.00 0.00 33.50 31.13 2kj6 n PRO 78 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kj6 h LEU 79 N 12.06 0.93 0.00 1.53 3.38 -1.66 -0.24 115.31 131.31 2kj6 h LEU 79 Ca -0.47 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2kj6 h LEU 79 Cb 1.24 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2kj6 h LEU 79 CO 0.95 0.52 0.00 0.61 0.09 0.00 0.00 178.44 180.61 2kj6 n GLY 80 N -1.35 -0.90 0.00 0.83 0.00 -1.24 -2.36 105.19 100.17 2kj6 n GLY 80 Ca 0.18 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.97 0.00 -0.10 1.61 7.35 -0.13 -4.71 117.46 120.51 2kj6 n PHE 81 Ca 0.20 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.74 2kj6 n PHE 81 Cb 0.09 -0.16 -0.07 0.00 0.35 0.00 0.00 39.48 39.70 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 -1.65 0.72 -4.06 -5.13 7.35 -1.00 -4.97 117.46 108.72 2kj6 n PHE 82 Ca -0.00 0.31 -0.18 0.00 -0.76 0.00 0.00 57.45 56.82 2kj6 n PHE 82 Cb 0.27 -0.90 -0.16 0.00 0.35 0.00 0.00 39.48 39.04 2kj6 n PHE 82 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2kj6 s SER 83 N -6.44 0.64 -0.87 -2.13 0.01 -1.13 -5.10 113.70 98.69 2kj6 s SER 83 Ca -0.25 -0.08 -0.25 0.00 1.31 0.00 0.00 55.95 56.68 2kj6 s SER 83 Cb 0.06 -0.29 0.04 0.00 0.21 0.00 0.00 66.02 66.04 2kj6 s SER 83 CO 0.42 -0.06 1.35 -2.84 0.41 0.00 0.00 173.24 172.52 2kj6 s PRO 84 N 0.79 3.39 -0.01 12.44 0.02 -1.26 -4.66 135.00 145.70 2kj6 s PRO 84 Ca -0.09 -0.71 0.01 0.00 0.02 0.00 0.00 61.00 60.22 2kj6 s PRO 84 Cb -0.12 -4.76 0.01 0.00 0.02 0.00 0.00 34.50 29.65 2kj6 s PRO 84 CO -0.01 -2.16 -0.02 -0.06 -0.33 0.00 0.00 177.00 174.43 2kj6 s PHE 85 N 5.24 0.27 0.23 6.54 0.40 -1.26 -5.04 117.98 124.37 2kj6 s PHE 85 Ca 0.40 -0.04 -0.07 0.00 -0.60 0.00 0.00 56.93 56.63 2kj6 s PHE 85 Cb -0.04 -0.23 0.21 0.00 0.51 0.00 0.00 43.02 43.47 2kj6 s PHE 85 CO 0.02 -0.04 1.81 0.22 0.70 0.00 0.00 175.22 177.94 2kj6 h ASP 86 N 6.38 1.07 -2.82 1.36 3.58 -1.94 -3.45 116.42 120.60 2kj6 h ASP 86 Ca -0.31 -0.15 0.05 0.00 0.42 0.00 0.00 57.03 57.04 2kj6 h ASP 86 Cb 1.18 -0.28 -0.22 0.00 1.72 0.00 0.00 39.33 41.73 2kj6 h ASP 86 CO 0.50 0.93 0.11 -0.83 -2.88 0.00 0.00 179.24 177.06 2kj6 s GLY 87 N -3.36 -0.48 0.51 -0.78 0.00 -1.26 -0.72 107.32 101.23 2kj6 s GLY 87 Ca -0.12 2.61 -0.05 0.00 0.00 0.00 0.00 44.72 47.16 2kj6 s GLY 87 CO 0.83 2.49 0.81 -1.36 0.00 0.00 0.00 173.10 175.87 2kj6 s PHE 88 N 1.62 3.46 -0.57 1.90 0.40 -1.26 -4.83 117.98 118.71 2kj6 s PHE 88 Ca -0.10 0.72 -0.19 0.00 -0.60 0.00 0.00 56.93 56.77 2kj6 s PHE 88 Cb -0.05 -2.42 0.09 0.00 0.51 0.00 0.00 43.02 41.15 2kj6 s PHE 88 CO -0.19 -0.43 0.69 1.03 0.70 0.00 0.00 175.22 177.02 2kj6 s ARG 89 N -4.79 3.07 -0.67 0.44 1.81 -0.77 -1.76 118.95 116.28 2kj6 s ARG 89 Ca 0.49 -1.17 -0.17 0.00 -1.72 0.00 0.00 55.73 53.17 2kj6 s ARG 89 Cb -0.10 -4.21 0.14 0.00 -0.45 0.00 0.00 34.95 30.33 2kj6 s ARG 89 CO 0.44 -1.45 0.70 -0.51 -0.68 0.00 0.00 175.30 173.81 2kj6 s LEU 90 N 2.71 5.95 -0.54 2.53 1.43 -0.31 -0.16 118.68 130.31 2kj6 s LEU 90 Ca 0.13 -1.92 -0.17 0.00 -1.03 0.00 0.00 54.13 51.14 2kj6 s LEU 90 Cb -0.22 -2.26 0.11 0.00 0.03 0.00 0.00 46.19 43.85 2kj6 s LEU 90 CO 0.08 -0.89 0.54 -2.28 0.23 0.00 0.00 176.35 174.02 2kj6 s HIS 91 N 1.71 3.18 -0.35 0.29 2.46 -0.81 -0.07 115.29 121.69 2kj6 s HIS 91 Ca 0.13 -1.10 -0.29 0.00 0.47 0.00 0.00 55.06 54.27 2kj6 s HIS 91 Cb -0.21 -3.71 -0.00 0.00 -0.13 0.00 0.00 32.58 28.53 2kj6 s HIS 91 CO -0.00 -1.04 1.48 0.42 -2.47 0.00 0.00 174.74 173.13 2kj6 s ILE 92 N 1.93 3.85 -1.21 0.89 1.01 0.02 -2.27 121.20 125.43 2kj6 s ILE 92 Ca 0.06 0.90 -0.18 0.00 0.00 0.00 0.00 60.65 61.42 2kj6 s ILE 92 Cb -0.27 -4.04 0.09 0.00 0.01 0.00 0.00 42.46 38.25 2kj6 s ILE 92 CO 0.05 -0.59 1.59 -0.63 0.00 0.00 0.00 174.94 175.36 2kj6 s ILE 93 N 5.45 4.28 -0.80 2.92 -1.09 0.55 -2.79 121.20 129.71 2kj6 s ILE 93 Ca 0.65 -1.80 -0.20 0.00 -2.23 0.00 0.00 60.65 57.07 2kj6 s ILE 93 Cb -0.17 -5.09 0.10 0.00 -1.58 0.00 0.00 42.46 35.72 2kj6 s ILE 93 CO 0.31 -1.91 1.04 -0.62 -1.23 0.00 0.00 174.94 172.53 2kj6 s ASP 94 N 4.09 6.42 -0.14 3.58 2.15 -1.26 -0.88 116.67 130.64 2kj6 s ASP 94 Ca 0.49 -1.58 0.15 0.00 0.43 0.00 0.00 52.55 52.04 2kj6 s ASP 94 Cb 0.01 -2.40 0.68 0.00 -0.30 0.00 0.00 42.92 40.91 2kj6 s ASP 94 CO 0.02 -1.23 1.57 0.18 -0.17 0.00 0.00 175.17 175.54 2kj6 n LEU 95 N 7.05 4.63 -4.01 -1.34 4.77 -0.01 -4.59 117.00 123.50 2kj6 n LEU 95 Ca 0.11 -2.34 -0.33 0.00 -0.03 0.00 0.00 56.01 53.42 2kj6 n LEU 95 Cb 0.47 -0.59 -0.10 0.00 -2.33 0.00 0.00 43.42 40.88 2kj6 n LEU 95 CO 0.57 0.70 0.08 -0.62 -1.33 0.00 0.00 177.39 176.78 2kj6 s ASP 96 N -0.80 5.21 0.00 -1.43 2.15 -1.24 -5.00 116.67 115.55 2kj6 s ASP 96 Ca 0.47 -3.51 0.31 0.00 0.43 0.00 0.00 52.55 50.25 2kj6 s ASP 96 Cb 0.32 -1.77 1.59 0.00 -0.30 0.00 0.00 42.92 42.76 2kj6 s ASP 96 CO 0.20 -0.19 2.05 -0.81 -0.17 0.00 0.00 175.17 176.25