#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 1.10 3.61 3.03 0.00 -1.26 -5.19 105.19 106.48 2kj6 n GLY 2 Ca 0.00 0.49 -0.28 0.00 0.00 0.00 0.00 46.02 46.23 2kj6 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kj6 s HIS 3 N 0.00 1.98 -0.33 1.61 4.02 -1.26 -5.07 115.29 116.23 2kj6 s HIS 3 Ca 0.00 -1.00 0.17 0.00 1.02 0.00 0.00 55.06 55.25 2kj6 s HIS 3 Cb 0.00 -1.45 0.45 0.00 -1.02 0.00 0.00 32.58 30.56 2kj6 s HIS 3 CO 0.00 0.07 0.98 -2.39 1.02 0.00 0.00 174.74 174.42 2kj6 n HIS 4 N -1.00 0.80 0.13 1.40 -0.00 -1.26 -4.93 115.22 110.36 2kj6 n HIS 4 Ca -0.10 -2.75 -0.01 0.00 -0.00 0.00 0.00 57.72 54.86 2kj6 n HIS 4 Cb 0.66 -0.21 0.15 0.00 -0.00 0.00 0.00 29.99 30.59 2kj6 n HIS 4 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kj6 h HIS 5 N 2.92 0.00 -2.97 -1.40 -0.00 -2.08 -3.44 115.15 108.18 2kj6 h HIS 5 Ca -0.11 0.00 -0.53 0.00 -0.00 0.00 0.00 60.37 59.73 2kj6 h HIS 5 Cb 1.18 0.00 0.03 0.00 -0.00 0.00 0.00 27.41 28.62 2kj6 h HIS 5 CO 0.47 0.64 0.76 -1.58 -0.00 0.00 0.00 177.93 178.22 2kj6 s HIS 6 N -3.49 3.20 0.32 5.26 2.46 -1.26 -5.02 115.29 116.76 2kj6 s HIS 6 Ca -0.01 0.88 0.08 0.00 0.47 0.00 0.00 55.06 56.48 2kj6 s HIS 6 Cb 0.12 -3.74 -0.04 0.00 -0.13 0.00 0.00 32.58 28.78 2kj6 s HIS 6 CO 0.76 -2.64 0.11 -1.01 -2.47 0.00 0.00 174.74 169.49 2kj6 s HIS 7 N 1.07 2.70 0.00 3.88 3.76 -1.26 -5.08 115.29 120.37 2kj6 s HIS 7 Ca 0.66 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 55.22 2kj6 s HIS 7 Cb -0.39 -1.54 0.00 0.00 1.11 0.00 0.00 32.58 31.77 2kj6 s HIS 7 CO 0.31 0.41 0.00 1.58 -0.85 0.00 0.00 174.74 176.19 2kj6 n HIS 8 N -1.09 0.00 -2.95 1.40 -0.00 -1.26 -5.12 115.22 106.20 2kj6 n HIS 8 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 2kj6 n HIS 8 Cb 0.61 0.05 0.00 0.00 -0.12 0.00 0.00 29.99 30.53 2kj6 n HIS 8 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2kj6 n SER 9 N -2.18 -1.13 -3.67 0.26 7.64 -1.26 -4.29 113.62 109.00 2kj6 n SER 9 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 2kj6 n SER 9 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 2kj6 n SER 9 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2kj6 s HIS 10 N 0.00 2.22 -0.23 1.43 0.09 -1.26 -5.10 115.29 112.45 2kj6 s HIS 10 Ca 0.00 -2.71 -0.22 0.00 -0.00 0.00 0.00 55.06 52.13 2kj6 s HIS 10 Cb 0.00 -1.84 -0.02 0.00 -0.00 0.00 0.00 32.58 30.73 2kj6 s HIS 10 CO 0.00 -0.72 0.70 0.20 -0.00 0.00 0.00 174.74 174.92 2kj6 s GLY 11 N -0.38 1.90 0.00 -2.22 0.00 -1.26 -4.86 107.32 100.50 2kj6 s GLY 11 Ca 0.25 -0.26 0.11 0.00 0.00 0.00 0.00 44.72 44.82 2kj6 s GLY 11 CO -0.13 1.51 0.80 1.34 0.00 0.00 0.00 173.10 176.63 2kj6 n ASP 12 N 5.53 1.75 -4.78 1.64 2.03 -1.26 -5.01 116.55 116.45 2kj6 n ASP 12 Ca 0.01 -1.38 -0.25 0.00 0.52 0.00 0.00 54.79 53.70 2kj6 n ASP 12 Cb 0.49 0.12 -0.05 0.00 -0.72 0.00 0.00 41.12 40.95 2kj6 n ASP 12 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2kj6 s ASP 13 N -1.04 5.37 0.50 1.67 -4.77 -1.26 -5.03 116.67 112.11 2kj6 s ASP 13 Ca 0.12 -0.24 0.00 0.00 -3.30 0.00 0.00 52.55 49.13 2kj6 s ASP 13 Cb 0.09 -1.34 0.00 0.00 -1.09 0.00 0.00 42.92 40.58 2kj6 s ASP 13 CO 0.17 0.03 0.00 -1.54 0.70 0.00 0.00 175.17 174.53 2kj6 n SER 14 N -0.65 -7.65 -4.23 2.11 3.41 -1.26 -4.98 113.62 100.37 2kj6 n SER 14 Ca -0.08 1.12 -0.25 0.00 -0.26 0.00 0.00 58.87 59.40 2kj6 n SER 14 Cb 0.56 -4.41 -0.14 0.00 -0.26 0.00 0.00 64.21 59.96 2kj6 n SER 14 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2kj6 s VAL 15 N -3.61 1.60 -0.43 -3.33 -7.23 0.82 -4.91 120.40 103.31 2kj6 s VAL 15 Ca 0.00 -1.11 -0.20 0.00 -1.81 0.00 0.00 61.98 58.86 2kj6 s VAL 15 Cb 0.00 -1.38 0.02 0.00 0.56 0.00 0.00 36.38 35.58 2kj6 s VAL 15 CO 0.00 0.23 0.60 -1.00 -0.31 0.00 0.00 175.10 174.62 2kj6 s HIS 16 N -0.74 3.09 -0.08 2.82 3.76 -1.26 -1.09 115.29 121.79 2kj6 s HIS 16 Ca 0.07 -0.09 -0.01 0.00 -0.15 0.00 0.00 55.06 54.88 2kj6 s HIS 16 Cb -0.08 -3.24 -0.03 0.00 1.11 0.00 0.00 32.58 30.33 2kj6 s HIS 16 CO 0.01 -0.82 -0.03 -0.51 -0.85 0.00 0.00 174.74 172.54 2kj6 s LEU 17 N 2.67 3.38 -0.65 0.89 1.43 -1.04 -4.43 118.68 120.93 2kj6 s LEU 17 Ca 0.21 0.05 -0.19 0.00 -1.03 0.00 0.00 54.13 53.16 2kj6 s LEU 17 Cb -0.15 -1.76 0.11 0.00 0.03 0.00 0.00 46.19 44.42 2kj6 s LEU 17 CO 0.18 0.35 0.80 -1.00 0.23 0.00 0.00 176.35 176.91 2kj6 s HIS 18 N -0.75 2.98 0.05 0.29 3.76 -0.27 -3.95 115.29 117.40 2kj6 s HIS 18 Ca 0.11 -0.98 -0.29 0.00 -0.15 0.00 0.00 55.06 53.76 2kj6 s HIS 18 Cb -0.11 -4.09 -0.05 0.00 1.11 0.00 0.00 32.58 29.44 2kj6 s HIS 18 CO 0.02 -1.37 0.91 0.42 -0.85 0.00 0.00 174.74 173.87 2kj6 s ILE 19 N 2.83 4.70 -0.03 0.60 1.01 -1.25 0.53 121.20 129.60 2kj6 s ILE 19 Ca 0.16 1.94 -0.00 0.00 0.00 0.00 0.00 60.65 62.74 2kj6 s ILE 19 Cb -0.20 -4.26 0.03 0.00 0.01 0.00 0.00 42.46 38.03 2kj6 s ILE 19 CO 0.05 0.27 0.03 -0.89 0.00 0.00 0.00 174.94 174.40 2kj6 s THR 20 N 0.38 -0.06 0.30 2.92 2.01 0.35 -3.35 115.64 118.19 2kj6 s THR 20 Ca 0.46 0.26 -0.15 0.00 0.31 0.00 0.00 61.69 62.57 2kj6 s THR 20 Cb -0.22 -0.11 -0.09 0.00 0.01 0.00 0.00 72.50 72.10 2kj6 s THR 20 CO 0.27 0.11 0.71 -2.28 -0.69 0.00 0.00 174.62 172.74 2kj6 s HIS 21 N 1.31 3.41 0.14 4.92 2.46 -1.26 -0.48 115.29 125.79 2kj6 s HIS 21 Ca -0.06 1.19 -0.16 0.00 0.47 0.00 0.00 55.06 56.50 2kj6 s HIS 21 Cb -0.13 -2.51 0.00 0.00 -0.13 0.00 0.00 32.58 29.82 2kj6 s HIS 21 CO -0.03 0.15 1.76 0.00 -2.47 0.00 0.00 174.74 174.15 2kj6 h ALA 22 N 2.44 0.50 0.00 1.58 0.00 -1.88 -2.35 119.26 119.55 2kj6 h ALA 22 Ca -0.48 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2kj6 h ALA 22 Cb 1.18 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2kj6 h ALA 22 CO 0.66 0.02 -0.11 -1.71 0.00 0.00 0.00 179.25 178.10 2kj6 n ASN 23 N -4.75 0.29 -4.55 0.00 2.85 -1.26 -4.70 115.26 103.15 2kj6 n ASN 23 Ca 0.00 0.38 -0.42 0.00 -0.11 0.00 0.00 54.58 54.44 2kj6 n ASN 23 Cb 0.07 -0.41 -0.08 0.00 1.24 0.00 0.00 39.78 40.60 2kj6 n ASN 23 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2kj6 s LEU 24 N -3.40 4.41 -0.05 1.20 1.43 -0.89 -4.95 118.68 116.44 2kj6 s LEU 24 Ca 0.12 -0.12 -0.22 0.00 -1.03 0.00 0.00 54.13 52.88 2kj6 s LEU 24 Cb 0.17 -2.60 -0.17 0.00 0.03 0.00 0.00 46.19 43.62 2kj6 s LEU 24 CO 0.58 -0.54 0.95 0.50 0.23 0.00 0.00 176.35 178.07 2kj6 h LYS 25 N 8.55 -0.20 -4.19 1.70 1.63 -1.84 -3.40 116.57 118.83 2kj6 h LYS 25 Ca -0.27 0.01 -0.75 0.00 -0.85 0.00 0.00 60.65 58.79 2kj6 h LYS 25 Cb 1.12 0.04 -0.23 0.00 -0.60 0.00 0.00 32.23 32.56 2kj6 h LYS 25 CO 0.80 0.25 0.02 0.45 -3.45 0.00 0.00 179.45 177.52 2kj6 s SER 26 N -5.48 6.41 -0.25 4.20 0.15 -1.26 -4.96 113.70 112.50 2kj6 s SER 26 Ca -0.13 -2.04 -0.03 0.00 0.70 0.00 0.00 55.95 54.45 2kj6 s SER 26 Cb 0.01 -2.24 0.14 0.00 -1.71 0.00 0.00 66.02 62.21 2kj6 s SER 26 CO 0.51 -0.83 0.42 0.12 1.20 0.00 0.00 173.24 174.66 2kj6 s PHE 27 N 1.41 -0.95 -0.39 3.44 5.36 -1.26 -5.06 117.98 120.54 2kj6 s PHE 27 Ca 0.12 1.03 0.11 0.00 -0.96 0.00 0.00 56.93 57.23 2kj6 s PHE 27 Cb -0.21 0.13 0.34 0.00 -0.34 0.00 0.00 43.02 42.94 2kj6 s PHE 27 CO -0.01 -0.72 0.77 0.43 -1.46 0.00 0.00 175.22 174.22 2kj6 n SER 28 N 5.38 0.29 -4.65 6.13 7.64 -1.25 -4.29 113.62 122.86 2kj6 n SER 28 Ca -0.04 -3.09 -0.42 0.00 1.01 0.00 0.00 58.87 56.33 2kj6 n SER 28 Cb 0.50 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 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 -1.92 3.54 -0.75 -0.43 0.00 -1.21 -4.88 121.76 116.11 2kj6 s ALA 29 Ca 0.37 0.87 -0.26 0.00 0.00 0.00 0.00 51.96 52.94 2kj6 s ALA 29 Cb 0.33 -3.77 0.01 0.00 0.00 0.00 0.00 23.12 19.68 2kj6 s ALA 29 CO -0.08 -1.52 1.59 0.34 0.00 0.00 0.00 175.76 176.09 2kj6 s ASP 30 N 3.61 5.77 0.04 0.00 2.15 -1.26 -3.80 116.67 123.17 2kj6 s ASP 30 Ca 0.74 -0.33 0.09 0.00 0.43 0.00 0.00 52.55 53.48 2kj6 s ASP 30 Cb -0.32 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.72 2kj6 s ASP 30 CO 0.30 -2.09 -0.25 0.00 -0.17 0.00 0.00 175.17 172.95 2kj6 s ALA 31 N 7.34 2.15 -0.29 3.66 0.00 -1.25 -5.06 121.76 128.30 2kj6 s ALA 31 Ca 0.52 -1.21 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 2kj6 s ALA 31 Cb -0.08 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.61 2kj6 s ALA 31 CO 0.12 0.51 0.01 -0.98 0.00 0.00 0.00 175.76 175.42 2kj6 s ARG 32 N -1.14 2.64 0.33 0.00 1.70 -1.26 -2.49 118.95 118.73 2kj6 s ARG 32 Ca 0.11 -1.13 0.07 0.00 -0.47 0.00 0.00 55.73 54.31 2kj6 s ARG 32 Cb -0.10 -3.21 -0.02 0.00 -0.57 0.00 0.00 34.95 31.05 2kj6 s ARG 32 CO 0.02 -0.56 0.32 -0.06 -1.08 0.00 0.00 175.30 173.94 2kj6 s PHE 33 N 1.33 2.94 0.22 5.89 0.08 -0.25 -4.79 117.98 123.40 2kj6 s PHE 33 Ca -0.02 -0.29 -0.16 0.00 0.12 0.00 0.00 56.93 56.58 2kj6 s PHE 33 Cb -0.19 -1.83 -0.08 0.00 -0.57 0.00 0.00 43.02 40.36 2kj6 s PHE 33 CO -0.01 0.15 0.66 -1.54 -0.10 0.00 0.00 175.22 174.39 2kj6 s SER 34 N -4.02 6.89 0.00 1.36 1.04 -1.26 -0.13 113.70 117.58 2kj6 s SER 34 Ca 0.41 1.25 0.09 0.00 0.48 0.00 0.00 55.95 58.18 2kj6 s SER 34 Cb -0.06 -2.36 0.53 0.00 0.10 0.00 0.00 66.02 64.23 2kj6 s SER 34 CO 0.27 -0.01 0.95 -0.81 0.98 0.00 0.00 173.24 174.62 2kj6 n PRO 35 N 0.42 0.43 -0.15 4.02 -0.04 -1.26 -2.34 135.00 136.09 2kj6 n PRO 35 Ca -0.02 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.56 2kj6 n PRO 35 Cb 0.52 -1.32 0.23 0.00 -0.04 0.00 0.00 33.50 32.89 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 -0.82 2.35 -2.73 0.54 6.02 -1.26 -0.82 117.38 120.65 2kj6 n GLN 36 Ca 0.07 -2.02 -0.43 0.00 -0.01 0.00 0.00 57.00 54.60 2kj6 n GLN 36 Cb 0.03 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.77 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 -1.61 3.72 0.04 -1.09 1.75 -0.99 -4.78 119.30 116.34 2kj6 s MET 37 Ca 0.36 0.49 -0.12 0.00 -1.25 0.00 0.00 55.69 55.17 2kj6 s MET 37 Cb 0.22 -3.87 -0.06 0.00 2.84 0.00 0.00 34.83 33.96 2kj6 s MET 37 CO 0.31 -1.17 0.40 -1.12 -0.65 0.00 0.00 175.02 172.79 2kj6 s SER 38 N 2.17 6.73 0.34 1.11 0.01 -1.26 -3.06 113.70 119.74 2kj6 s SER 38 Ca 0.42 0.88 0.05 0.00 1.31 0.00 0.00 55.95 58.61 2kj6 s SER 38 Cb -0.10 -2.22 0.62 0.00 0.21 0.00 0.00 66.02 64.53 2kj6 s SER 38 CO 0.25 0.25 1.86 0.58 0.41 0.00 0.00 173.24 176.60 2kj6 h VAL 39 N 3.33 1.20 -0.17 3.43 2.07 -1.21 -0.92 116.25 123.98 2kj6 h VAL 39 Ca -0.51 -0.86 -0.11 0.00 0.82 0.00 0.00 66.70 66.05 2kj6 h VAL 39 Cb 1.21 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2kj6 h VAL 39 CO 0.64 0.28 -0.35 -0.08 0.02 0.00 0.00 177.57 178.08 2kj6 h GLU 40 N 0.43 0.36 -0.32 1.57 4.81 -1.08 0.07 114.58 120.42 2kj6 h GLU 40 Ca 0.09 -0.16 -0.17 0.00 -0.13 0.00 0.00 59.36 58.99 2kj6 h GLU 40 Cb 0.39 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 2kj6 h GLU 40 CO 0.02 0.67 -0.46 0.00 -0.73 0.00 0.00 179.01 178.51 2kj6 h ALA 41 N 1.32 0.58 -0.00 2.92 0.00 -1.43 -2.40 119.26 120.25 2kj6 h ALA 41 Ca 0.04 -0.48 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 2kj6 h ALA 41 Cb 0.77 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2kj6 h ALA 41 CO 0.06 0.68 -0.78 -0.24 0.00 0.00 0.00 179.25 178.97 2kj6 h VAL 42 N 0.67 1.55 -0.46 0.00 3.04 -1.00 -3.01 116.25 117.04 2kj6 h VAL 42 Ca 0.04 -2.64 -0.05 0.00 -1.01 0.00 0.00 66.70 63.04 2kj6 h VAL 42 Cb 1.04 2.43 -0.02 0.00 -2.01 0.00 0.00 31.29 32.73 2kj6 h VAL 42 CO 0.10 0.76 0.08 0.11 -1.01 0.00 0.00 177.57 177.61 2kj6 h LYS 43 N 0.01 0.70 -0.90 4.17 1.57 -0.88 -0.85 116.57 120.39 2kj6 h LYS 43 Ca -0.01 -0.14 0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2kj6 h LYS 43 Cb 1.37 -0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.52 2kj6 h LYS 43 CO 0.10 0.66 0.57 1.49 -0.57 0.00 0.00 179.45 181.70 2kj6 h GLU 44 N 0.67 1.02 -0.28 3.15 4.81 -1.29 0.52 114.58 123.18 2kj6 h GLU 44 Ca 0.15 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2kj6 h GLU 44 Cb 0.30 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2kj6 h GLU 44 CO 0.00 0.68 0.00 1.63 -0.73 0.00 0.00 179.01 180.59 2kj6 n LYS 45 N -4.57 1.73 -0.11 1.92 5.02 -0.72 -2.05 118.16 119.38 2kj6 n LYS 45 Ca 0.13 -1.13 -0.21 0.00 -2.02 0.00 0.00 58.31 55.08 2kj6 n LYS 45 Cb 0.16 -1.28 -0.12 0.00 -0.02 0.00 0.00 35.03 33.76 2kj6 n LYS 45 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kj6 n LEU 46 N 0.40 2.66 -0.18 -0.35 4.77 -0.02 -3.55 117.00 120.72 2kj6 n LEU 46 Ca 0.12 0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 56.08 2kj6 n LEU 46 Cb 0.28 -0.93 0.11 0.00 -2.33 0.00 0.00 43.42 40.55 2kj6 n LEU 46 CO 0.09 0.82 0.91 -0.25 -1.33 0.00 0.00 177.39 177.63 2kj6 h TRP 47 N -0.25 1.02 0.00 -1.77 7.01 -1.00 0.15 115.95 121.12 2kj6 h TRP 47 Ca -0.57 -0.13 0.00 0.00 2.11 0.00 0.00 58.89 60.30 2kj6 h TRP 47 Cb 1.83 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 28.61 2kj6 h TRP 47 CO 0.02 0.88 0.00 1.63 -2.79 0.00 0.00 178.44 178.17 2kj6 n LYS 48 N -4.22 0.53 -0.04 2.65 5.02 -0.87 -2.10 118.16 119.12 2kj6 n LYS 48 Ca 0.04 0.01 -0.06 0.00 -2.02 0.00 0.00 58.31 56.27 2kj6 n LYS 48 Cb 0.28 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.77 2kj6 n LYS 48 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2kj6 n LYS 49 N -1.23 0.33 -0.02 1.97 4.81 -0.78 -4.81 118.16 118.44 2kj6 n LYS 49 Ca 0.16 0.13 0.04 0.00 -0.87 0.00 0.00 58.31 57.77 2kj6 n LYS 49 Cb 0.21 -1.08 -0.14 0.00 0.02 0.00 0.00 35.03 34.03 2kj6 n LYS 49 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kj6 n GLY 51 N 1.40 -0.26 3.08 0.00 0.00 -0.89 -5.04 105.19 103.48 2kj6 n GLY 51 Ca -0.12 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.01 -0.02 0.12 2.61 2.01 -1.26 -5.04 115.64 111.05 2kj6 s THR 52 Ca 0.02 0.07 -0.33 0.00 0.31 0.00 0.00 61.69 61.75 2kj6 s THR 52 Cb -0.00 -0.34 -0.13 0.00 0.01 0.00 0.00 72.50 72.03 2kj6 s THR 52 CO 0.13 0.03 1.67 -1.20 -0.69 0.00 0.00 174.62 174.56 2kj6 n SER 53 N 3.52 3.38 0.00 3.53 7.64 -1.26 -4.29 113.62 126.14 2kj6 n SER 53 Ca -0.18 1.05 0.05 0.00 1.01 0.00 0.00 58.87 60.80 2kj6 n SER 53 Cb 0.56 -1.45 0.32 0.00 -1.01 0.00 0.00 64.21 62.63 2kj6 n SER 53 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2kj6 n VAL 54 N 3.91 0.00 -0.05 0.44 0.24 -1.26 -1.69 118.33 119.92 2kj6 n VAL 54 Ca 0.18 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.36 2kj6 n VAL 54 Cb 0.31 -0.55 -0.14 0.00 -1.47 0.00 0.00 33.84 31.99 2kj6 n VAL 54 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2kj6 n ASN 55 N -0.82 0.85 0.06 -1.34 5.15 -1.26 -4.43 115.26 113.47 2kj6 n ASN 55 Ca 0.08 0.22 -0.17 0.00 -0.60 0.00 0.00 54.58 54.12 2kj6 n ASN 55 Cb 0.04 0.13 -0.07 0.00 -0.53 0.00 0.00 39.78 39.34 2kj6 n ASN 55 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2kj6 h SER 56 N 0.01 0.71 -3.21 1.20 0.02 -1.70 -3.41 113.55 107.17 2kj6 h SER 56 Ca -0.41 -0.57 -0.74 0.00 -0.84 0.00 0.00 61.79 59.24 2kj6 h SER 56 Cb 2.08 -0.22 -0.22 0.00 0.14 0.00 0.00 62.40 64.18 2kj6 h SER 56 CO 0.05 1.37 -0.22 -0.32 -1.14 0.00 0.00 176.83 176.57 2kj6 s MET 57 N -3.29 3.00 0.28 3.45 -2.45 -1.23 -4.61 119.30 114.46 2kj6 s MET 57 Ca -0.08 -1.38 0.04 0.00 -1.25 0.00 0.00 55.69 53.01 2kj6 s MET 57 Cb 0.08 -4.18 0.04 0.00 1.25 0.00 0.00 34.83 32.01 2kj6 s MET 57 CO 0.89 -1.17 0.29 0.00 1.05 0.00 0.00 175.02 176.09 2kj6 n ALA 58 N 5.42 0.51 -3.67 4.11 0.00 -1.24 -4.90 120.51 120.73 2kj6 n ALA 58 Ca -0.12 -1.08 -0.24 0.00 0.00 0.00 0.00 53.44 52.00 2kj6 n ALA 58 Cb 0.43 0.38 -0.17 0.00 0.00 0.00 0.00 19.45 20.09 2kj6 n ALA 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kj6 s LEU 59 N 0.00 1.33 -0.75 0.00 1.43 -1.26 -0.43 118.68 119.00 2kj6 s LEU 59 Ca 0.22 -0.25 -0.22 0.00 -1.03 0.00 0.00 54.13 52.86 2kj6 s LEU 59 Cb -0.02 -0.72 0.08 0.00 0.03 0.00 0.00 46.19 45.56 2kj6 s LEU 59 CO 0.14 -0.06 1.05 -1.61 0.23 0.00 0.00 176.35 176.11 2kj6 s GLU 60 N 1.18 3.25 -0.59 1.70 0.41 0.98 -4.91 118.70 120.73 2kj6 s GLU 60 Ca -0.06 -1.01 -0.25 0.00 -0.41 0.00 0.00 54.97 53.24 2kj6 s GLU 60 Cb -0.14 -4.45 0.04 0.00 -1.78 0.00 0.00 34.13 27.80 2kj6 s GLU 60 CO -0.02 -1.86 1.06 -1.17 -0.49 0.00 0.00 175.26 172.78 2kj6 s LEU 61 N 3.94 3.83 -0.09 1.80 2.96 -1.25 -0.99 118.68 128.87 2kj6 s LEU 61 Ca 0.27 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.83 2kj6 s LEU 61 Cb -0.13 -2.86 -0.04 0.00 0.50 0.00 0.00 46.19 43.67 2kj6 s LEU 61 CO 0.05 -1.39 0.13 -0.31 -1.32 0.00 0.00 176.35 173.50 2kj6 s TYR 62 N 4.46 3.52 0.46 5.38 2.02 0.15 -0.71 117.35 132.62 2kj6 s TYR 62 Ca 0.34 0.44 0.01 0.00 -0.37 0.00 0.00 57.07 57.49 2kj6 s TYR 62 Cb -0.11 -1.89 0.01 0.00 -0.40 0.00 0.00 41.96 39.57 2kj6 s TYR 62 CO 0.20 0.68 0.10 -0.40 -1.57 0.00 0.00 175.55 174.56 2kj6 n ASP 63 N 1.81 3.06 0.02 2.29 5.75 -0.91 -0.63 116.55 127.94 2kj6 n ASP 63 Ca -0.18 -2.90 0.11 0.00 -0.01 0.00 0.00 54.79 51.81 2kj6 n ASP 63 Cb 0.54 0.22 -0.13 0.00 -1.03 0.00 0.00 41.12 40.72 2kj6 n ASP 63 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2kj6 n ASP 64 N -1.43 0.19 -0.06 -1.12 8.00 -1.26 -4.46 116.55 116.41 2kj6 n ASP 64 Ca -0.14 0.07 -0.19 0.00 0.71 0.00 0.00 54.79 55.25 2kj6 n ASP 64 Cb 0.57 1.64 -0.13 0.00 -0.02 0.00 0.00 41.12 43.19 2kj6 n ASP 64 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2kj6 h SER 65 N 0.00 0.09 0.00 -2.24 0.87 -1.97 -3.47 113.55 106.83 2kj6 h SER 65 Ca 0.00 -0.78 0.00 0.00 -1.23 0.00 0.00 61.79 59.78 2kj6 h SER 65 Cb 1.00 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 2kj6 h SER 65 CO 0.00 1.32 0.00 0.61 -0.53 0.00 0.00 176.83 178.23 2kj6 n GLY 66 N 1.57 0.81 1.84 5.77 0.00 -1.26 -5.13 105.19 108.79 2kj6 n GLY 66 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2kj6 n GLY 66 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kj6 n SER 67 N 0.00 0.00 -4.38 1.61 7.64 -1.26 -4.83 113.62 112.39 2kj6 n SER 67 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 2kj6 n SER 67 Cb 0.00 0.29 -0.12 0.00 -1.01 0.00 0.00 64.21 63.37 2kj6 n SER 67 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2kj6 s LYS 68 N -0.92 3.13 -0.33 1.43 1.02 -1.26 -2.15 119.74 120.67 2kj6 s LYS 68 Ca 0.00 -0.85 0.08 0.00 0.02 0.00 0.00 55.97 55.23 2kj6 s LYS 68 Cb 0.00 -3.50 0.56 0.00 -0.52 0.00 0.00 37.83 34.37 2kj6 s LYS 68 CO 0.00 -0.48 1.60 1.33 -0.92 0.00 0.00 175.35 176.88 2kj6 n VAL 69 N 4.93 2.72 -2.30 3.17 0.24 0.11 -4.94 118.33 122.27 2kj6 n VAL 69 Ca -0.14 -2.42 -0.34 0.00 -2.04 0.00 0.00 64.34 59.41 2kj6 n VAL 69 Cb 0.48 -0.36 -0.04 0.00 -1.47 0.00 0.00 33.84 32.45 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 -3.22 2.19 0.19 2.33 0.00 -1.25 -4.76 121.76 117.24 2kj6 s ALA 70 Ca 0.48 -1.91 -0.07 0.00 0.00 0.00 0.00 51.96 50.46 2kj6 s ALA 70 Cb 0.42 -4.55 0.09 0.00 0.00 0.00 0.00 23.12 19.08 2kj6 s ALA 70 CO 0.04 -4.24 1.59 0.28 0.00 0.00 0.00 175.76 173.42 2kj6 h VAL 71 N 6.97 1.27 -0.43 0.00 2.07 -1.95 -3.47 116.25 120.72 2kj6 h VAL 71 Ca 0.16 -1.36 -0.18 0.00 0.82 0.00 0.00 66.70 66.13 2kj6 h VAL 71 Cb 1.00 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 2kj6 h VAL 71 CO 1.32 0.46 -0.17 -0.11 0.02 0.00 0.00 177.57 179.10 2kj6 n LEU 72 N -4.11 -0.62 -0.36 2.57 7.94 -1.26 -4.79 117.00 116.38 2kj6 n LEU 72 Ca 0.00 0.22 0.06 0.00 -1.11 0.00 0.00 56.01 55.18 2kj6 n LEU 72 Cb 0.45 -1.58 0.02 0.00 0.53 0.00 0.00 43.42 42.83 2kj6 n LEU 72 CO 0.46 -0.50 0.31 -0.24 -1.11 0.00 0.00 177.39 176.30 2kj6 n SER 73 N 0.37 1.60 0.00 1.96 2.88 -1.26 -4.53 113.62 114.64 2kj6 n SER 73 Ca -0.09 -1.30 0.05 0.00 -1.33 0.00 0.00 58.87 56.20 2kj6 n SER 73 Cb 0.31 0.29 0.32 0.00 -0.75 0.00 0.00 64.21 64.39 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 0.13 0.00 -0.08 -3.46 5.75 -1.26 -3.45 116.55 114.18 2kj6 n ASP 74 Ca 0.06 -1.43 -0.15 0.00 -0.01 0.00 0.00 54.79 53.27 2kj6 n ASP 74 Cb 0.27 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.31 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 0.84 0.09 -1.12 3.04 -1.93 -2.70 116.42 114.64 2kj6 h ASP 75 Ca 0.00 -0.53 0.00 0.00 -3.24 0.00 0.00 57.03 53.26 2kj6 h ASP 75 Cb 0.00 -0.24 0.00 0.00 -1.04 0.00 0.00 39.33 38.05 2kj6 h ASP 75 CO 0.00 1.21 -0.79 -1.20 -2.04 0.00 0.00 179.24 176.43 2kj6 n SER 76 N -4.14 1.12 -4.38 4.15 7.64 -1.22 -0.56 113.62 116.23 2kj6 n SER 76 Ca -0.05 -0.97 -0.34 0.00 1.01 0.00 0.00 58.87 58.52 2kj6 n SER 76 Cb 0.57 0.74 -0.14 0.00 -1.01 0.00 0.00 64.21 64.38 2kj6 n SER 76 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2kj6 s ARG 77 N -2.88 3.46 -0.05 1.43 1.81 -1.23 -4.99 118.95 116.50 2kj6 s ARG 77 Ca 0.11 -0.61 -0.35 0.00 -1.72 0.00 0.00 55.73 53.17 2kj6 s ARG 77 Cb 0.17 -2.92 -0.12 0.00 -0.45 0.00 0.00 34.95 31.63 2kj6 s ARG 77 CO 0.77 0.00 1.81 -0.35 -0.68 0.00 0.00 175.30 176.85 2kj6 n PRO 78 N 4.21 2.09 0.29 3.54 -0.04 -1.26 -4.61 135.00 139.22 2kj6 n PRO 78 Ca -0.18 0.76 0.18 0.00 -0.04 0.00 0.00 63.50 64.23 2kj6 n PRO 78 Cb 0.52 -2.58 0.99 0.00 -0.04 0.00 0.00 33.50 32.38 2kj6 n PRO 78 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2kj6 h LEU 79 N 8.41 0.00 -0.65 1.53 5.85 -1.58 -0.00 115.31 128.87 2kj6 h LEU 79 Ca -0.48 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.12 2kj6 h LEU 79 Cb 1.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 2kj6 h LEU 79 CO 0.94 0.00 -0.24 1.23 -0.34 0.00 0.00 178.44 180.03 2kj6 h GLY 80 N 0.00 0.87 2.00 3.75 0.00 -1.29 -2.42 103.07 105.99 2kj6 h GLY 80 Ca 0.02 -0.76 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 2kj6 h GLY 80 CO -0.00 0.69 -0.12 -2.75 0.00 0.00 0.00 176.54 174.36 2kj6 h PHE 81 N 0.70 0.00 -0.03 5.60 3.57 -1.19 -2.62 116.94 122.97 2kj6 h PHE 81 Ca 0.09 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2kj6 h PHE 81 Cb 0.76 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.50 2kj6 h PHE 81 CO 0.04 0.12 0.00 0.34 -2.23 0.00 0.00 178.31 176.59 2kj6 n PHE 82 N -3.16 0.03 -2.08 0.41 7.35 -1.00 -4.97 117.46 114.04 2kj6 n PHE 82 Ca 0.03 -0.01 -0.00 0.00 -0.76 0.00 0.00 57.45 56.70 2kj6 n PHE 82 Cb 0.52 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.35 2kj6 n PHE 82 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2kj6 n SER 83 N -0.40 -4.70 -4.89 -2.13 2.88 -0.95 -5.04 113.62 98.39 2kj6 n SER 83 Ca 0.20 0.69 -0.29 0.00 -1.33 0.00 0.00 58.87 58.14 2kj6 n SER 83 Cb 0.22 -3.09 -0.02 0.00 -0.75 0.00 0.00 64.21 60.57 2kj6 n SER 83 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2kj6 s PRO 84 N -0.79 3.65 0.05 -1.46 0.04 -1.14 -4.98 135.00 130.38 2kj6 s PRO 84 Ca -0.01 0.32 0.07 0.00 0.04 0.00 0.00 61.00 61.42 2kj6 s PRO 84 Cb 0.00 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 2kj6 s PRO 84 CO 0.38 -0.11 -0.19 -0.06 0.04 0.00 0.00 177.00 177.06 2kj6 s PHE 85 N -2.55 1.65 -2.00 0.56 0.08 -1.26 -5.01 117.98 109.44 2kj6 s PHE 85 Ca 0.49 -0.38 0.28 0.00 0.12 0.00 0.00 56.93 57.44 2kj6 s PHE 85 Cb -0.10 -0.96 1.67 0.00 -0.57 0.00 0.00 43.02 43.05 2kj6 s PHE 85 CO 0.38 0.10 2.01 -0.40 -0.10 0.00 0.00 175.22 177.21 2kj6 n ASP 86 N 1.72 0.00 -1.03 1.36 5.75 -1.26 -2.38 116.55 120.71 2kj6 n ASP 86 Ca -0.18 -0.88 0.12 0.00 -0.01 0.00 0.00 54.79 53.84 2kj6 n ASP 86 Cb 0.54 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.86 2kj6 n ASP 86 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kj6 n GLY 87 N 0.75 1.39 3.68 6.12 0.00 -1.26 -4.78 105.19 111.09 2kj6 n GLY 87 Ca 0.21 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.62 2.82 -0.19 1.61 0.08 -1.00 -4.44 117.98 115.25 2kj6 s PHE 88 Ca 0.36 0.83 -0.05 0.00 0.12 0.00 0.00 56.93 58.19 2kj6 s PHE 88 Cb 0.22 -3.65 -0.03 0.00 -0.57 0.00 0.00 43.02 38.99 2kj6 s PHE 88 CO 0.31 -2.38 0.01 1.03 -0.10 0.00 0.00 175.22 174.09 2kj6 s ARG 89 N 2.57 3.74 -0.64 0.44 0.52 0.20 -1.12 118.95 124.66 2kj6 s ARG 89 Ca 0.63 -0.47 -0.12 0.00 -0.52 0.00 0.00 55.73 55.26 2kj6 s ARG 89 Cb -0.30 -3.09 0.17 0.00 0.52 0.00 0.00 34.95 32.25 2kj6 s ARG 89 CO 0.25 0.14 0.55 -0.51 0.02 0.00 0.00 175.30 175.75 2kj6 s LEU 90 N 0.69 6.14 -0.57 2.53 1.43 0.19 -0.68 118.68 128.42 2kj6 s LEU 90 Ca 0.01 -2.32 -0.22 0.00 -1.03 0.00 0.00 54.13 50.56 2kj6 s LEU 90 Cb -0.14 -2.11 0.06 0.00 0.03 0.00 0.00 46.19 44.03 2kj6 s LEU 90 CO 0.02 -0.64 0.85 -2.28 0.23 0.00 0.00 176.35 174.53 2kj6 s HIS 91 N 0.75 2.84 0.09 0.29 2.46 -0.16 -0.50 115.29 121.06 2kj6 s HIS 91 Ca 0.11 -0.34 -0.31 0.00 0.47 0.00 0.00 55.06 55.00 2kj6 s HIS 91 Cb -0.20 -3.98 -0.08 0.00 -0.13 0.00 0.00 32.58 28.18 2kj6 s HIS 91 CO -0.03 -1.34 1.60 0.42 -2.47 0.00 0.00 174.74 172.92 2kj6 s ILE 92 N 3.55 3.02 -0.76 0.89 1.01 0.36 -0.01 121.20 129.26 2kj6 s ILE 92 Ca 0.23 0.56 -0.26 0.00 0.00 0.00 0.00 60.65 61.18 2kj6 s ILE 92 Cb -0.16 -3.36 0.04 0.00 0.01 0.00 0.00 42.46 38.99 2kj6 s ILE 92 CO 0.14 0.01 1.25 -0.63 0.00 0.00 0.00 174.94 175.71 2kj6 s ILE 93 N 2.18 3.85 -0.72 2.92 -1.09 0.43 -2.84 121.20 125.93 2kj6 s ILE 93 Ca 0.72 0.14 -0.15 0.00 -2.23 0.00 0.00 60.65 59.12 2kj6 s ILE 93 Cb -0.40 -4.90 0.17 0.00 -1.58 0.00 0.00 42.46 35.76 2kj6 s ILE 93 CO 0.31 -1.80 0.69 -1.81 -1.23 0.00 0.00 174.94 171.10 2kj6 s ASP 94 N 3.86 6.51 0.00 3.58 1.01 -1.26 -3.73 116.67 126.64 2kj6 s ASP 94 Ca 0.34 -2.24 0.00 0.00 0.71 0.00 0.00 52.55 51.36 2kj6 s ASP 94 Cb -0.08 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.62 2kj6 s ASP 94 CO 0.11 -0.74 0.00 0.18 0.21 0.00 0.00 175.17 174.93 2kj6 n LEU 95 N 4.75 0.34 -3.69 1.23 4.77 -1.26 -4.91 117.00 118.23 2kj6 n LEU 95 Ca 0.03 0.38 -0.14 0.00 -0.03 0.00 0.00 56.01 56.24 2kj6 n LEU 95 Cb 0.44 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 2kj6 n LEU 95 CO 0.43 -0.44 0.17 1.51 -1.33 0.00 0.00 177.39 177.74 2kj6 s ASP 96 N -2.86 -0.42 0.00 -1.43 -4.77 -1.26 -5.20 116.67 100.73 2kj6 s ASP 96 Ca 0.00 0.57 0.29 0.00 -3.30 0.00 0.00 52.55 50.12 2kj6 s ASP 96 Cb 0.00 0.62 1.76 0.00 -1.09 0.00 0.00 42.92 44.21 2kj6 s ASP 96 CO 0.00 -0.38 2.09 -2.65 0.70 0.00 0.00 175.17 174.94