#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj6 n GLY 2 N 0.00 -0.64 3.30 3.03 0.00 -1.26 -5.15 105.19 104.48 2kj6 n GLY 2 Ca 0.00 0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 2.92 -0.35 1.61 5.65 -1.26 -5.08 115.29 118.79 2kj6 s HIS 3 Ca 0.00 -0.95 -0.03 0.00 0.25 0.00 0.00 55.06 54.33 2kj6 s HIS 3 Cb 0.00 -2.05 0.07 0.00 -1.18 0.00 0.00 32.58 29.42 2kj6 s HIS 3 CO 0.00 -0.51 0.09 -3.38 -0.65 0.00 0.00 174.74 170.29 2kj6 s HIS 4 N 1.27 3.39 -0.73 3.88 0.00 -1.26 -5.02 115.29 116.82 2kj6 s HIS 4 Ca 0.03 -2.00 0.02 0.00 -3.00 0.00 0.00 55.06 50.11 2kj6 s HIS 4 Cb -0.14 -2.56 0.18 0.00 -4.00 0.00 0.00 32.58 26.06 2kj6 s HIS 4 CO -0.03 -0.85 0.55 -1.58 -1.00 0.00 0.00 174.74 171.82 2kj6 s HIS 5 N 1.24 3.60 -0.19 0.38 5.65 -1.26 -5.03 115.29 119.68 2kj6 s HIS 5 Ca 0.00 -3.15 -0.03 0.00 0.25 0.00 0.00 55.06 52.13 2kj6 s HIS 5 Cb -0.21 -2.95 0.06 0.00 -1.18 0.00 0.00 32.58 28.30 2kj6 s HIS 5 CO -0.02 -0.67 0.05 -1.58 -0.65 0.00 0.00 174.74 171.88 2kj6 s HIS 6 N -1.09 0.80 -0.22 3.88 2.46 -1.26 -5.09 115.29 114.76 2kj6 s HIS 6 Ca 0.24 -0.72 -0.00 0.00 0.47 0.00 0.00 55.06 55.05 2kj6 s HIS 6 Cb -0.10 -0.94 0.06 0.00 -0.13 0.00 0.00 32.58 31.47 2kj6 s HIS 6 CO -0.11 -0.59 -0.03 -1.58 -2.47 0.00 0.00 174.74 169.95 2kj6 s HIS 7 N 1.93 2.08 0.16 3.88 5.65 -1.26 -5.01 115.29 122.72 2kj6 s HIS 7 Ca 0.00 -1.54 -0.11 0.00 0.25 0.00 0.00 55.06 53.66 2kj6 s HIS 7 Cb -0.17 -1.45 -0.00 0.00 -1.18 0.00 0.00 32.58 29.78 2kj6 s HIS 7 CO -0.09 -0.73 1.54 1.25 -0.65 0.00 0.00 174.74 176.06 2kj6 h HIS 8 N 8.02 1.13 -1.05 3.88 2.76 -2.07 -3.49 115.15 124.34 2kj6 h HIS 8 Ca -0.18 -0.28 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 2kj6 h HIS 8 Cb 1.08 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.78 2kj6 h HIS 8 CO 0.45 1.10 0.00 0.43 -1.30 0.00 0.00 177.93 178.61 2kj6 n SER 9 N -4.13 -3.14 -3.65 3.26 7.64 -1.26 -4.57 113.62 107.78 2kj6 n SER 9 Ca -0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.58 2kj6 n SER 9 Cb 0.46 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.52 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 1.36 -1.34 1.43 0.09 -1.26 -5.06 115.29 110.52 2kj6 s HIS 10 Ca 0.00 -1.74 -0.12 0.00 -0.00 0.00 0.00 55.06 53.20 2kj6 s HIS 10 Cb 0.00 -1.47 0.12 0.00 -0.00 0.00 0.00 32.58 31.22 2kj6 s HIS 10 CO 0.00 -0.84 1.94 0.41 -0.00 0.00 0.00 174.74 176.25 2kj6 n GLY 11 N 4.45 4.35 0.12 -2.22 0.00 -1.26 -4.51 105.19 106.12 2kj6 n GLY 11 Ca 0.03 -1.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.01 2kj6 n GLY 11 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kj6 n ASP 12 N 5.12 1.62 -0.11 1.61 2.03 -1.26 -4.62 116.55 120.95 2kj6 n ASP 12 Ca 0.44 0.12 -0.15 0.00 0.52 0.00 0.00 54.79 55.73 2kj6 n ASP 12 Cb 0.39 -0.38 -0.10 0.00 -0.72 0.00 0.00 41.12 40.31 2kj6 n ASP 12 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2kj6 n ASP 13 N -3.26 2.36 -4.58 1.67 5.75 -1.26 -4.87 116.55 112.35 2kj6 n ASP 13 Ca -0.33 -0.11 -0.42 0.00 -0.01 0.00 0.00 54.79 53.91 2kj6 n ASP 13 Cb 1.05 -0.34 -0.02 0.00 -1.03 0.00 0.00 41.12 40.78 2kj6 n ASP 13 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2kj6 s SER 14 N -6.05 6.32 0.56 -1.12 1.04 -1.26 -4.44 113.70 108.74 2kj6 s SER 14 Ca -0.28 0.33 -0.17 0.00 0.48 0.00 0.00 55.95 56.31 2kj6 s SER 14 Cb 0.07 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.59 2kj6 s SER 14 CO 0.49 -1.54 1.04 0.68 0.98 0.00 0.00 173.24 174.88 2kj6 s VAL 15 N 5.43 3.93 0.14 5.02 -7.23 -0.66 -4.65 120.40 122.37 2kj6 s VAL 15 Ca 0.50 0.97 0.06 0.00 -1.81 0.00 0.00 61.98 61.70 2kj6 s VAL 15 Cb -0.10 -3.45 -0.04 0.00 0.56 0.00 0.00 36.38 33.35 2kj6 s VAL 15 CO 0.27 -0.48 0.04 -1.00 -0.31 0.00 0.00 175.10 173.62 2kj6 s HIS 16 N -2.38 2.99 0.00 2.82 3.76 -1.26 -2.34 115.29 118.87 2kj6 s HIS 16 Ca 0.64 -0.06 0.00 0.00 -0.15 0.00 0.00 55.06 55.49 2kj6 s HIS 16 Cb -0.15 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.06 2kj6 s HIS 16 CO 0.32 0.50 0.00 1.28 -0.85 0.00 0.00 174.74 176.00 2kj6 n LEU 17 N 0.09 0.00 -2.98 0.89 4.77 -1.26 -4.44 117.00 114.07 2kj6 n LEU 17 Ca -0.10 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.92 2kj6 n LEU 17 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2kj6 n LEU 17 CO 0.40 0.00 0.53 -1.00 -1.33 0.00 0.00 177.39 176.00 2kj6 s HIS 18 N 1.76 -0.31 0.07 -1.77 3.76 -1.24 -4.81 115.29 112.75 2kj6 s HIS 18 Ca 0.00 0.13 -0.29 0.00 -0.15 0.00 0.00 55.06 54.75 2kj6 s HIS 18 Cb 0.00 0.05 -0.05 0.00 1.11 0.00 0.00 32.58 33.70 2kj6 s HIS 18 CO 0.00 -0.19 0.93 0.42 -0.85 0.00 0.00 174.74 175.05 2kj6 s ILE 19 N 2.56 4.65 -0.01 0.60 1.01 0.23 -0.32 121.20 129.93 2kj6 s ILE 19 Ca 0.23 1.98 -0.05 0.00 0.00 0.00 0.00 60.65 62.82 2kj6 s ILE 19 Cb 0.01 -4.28 -0.00 0.00 0.01 0.00 0.00 42.46 38.20 2kj6 s ILE 19 CO -0.20 0.28 0.10 -0.89 0.00 0.00 0.00 174.94 174.23 2kj6 s THR 20 N 0.29 0.07 0.51 2.92 2.01 0.09 -3.70 115.64 117.82 2kj6 s THR 20 Ca 0.47 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.94 2kj6 s THR 20 Cb -0.22 -0.34 -0.00 0.00 0.01 0.00 0.00 72.50 71.95 2kj6 s THR 20 CO 0.28 -0.31 0.12 -1.00 -0.69 0.00 0.00 174.62 173.02 2kj6 s HIS 21 N -1.03 1.85 -0.09 4.92 3.76 -1.14 -0.07 115.29 123.49 2kj6 s HIS 21 Ca -0.11 -0.90 0.08 0.00 -0.15 0.00 0.00 55.06 53.98 2kj6 s HIS 21 Cb -0.06 -1.71 -0.24 0.00 1.11 0.00 0.00 32.58 31.67 2kj6 s HIS 21 CO 0.01 0.04 0.47 0.00 -0.85 0.00 0.00 174.74 174.41 2kj6 n ALA 22 N -1.39 1.35 0.30 -1.40 0.00 -1.14 -4.28 120.51 113.94 2kj6 n ALA 22 Ca -0.13 -0.81 -0.14 0.00 0.00 0.00 0.00 53.44 52.35 2kj6 n ALA 22 Cb 0.66 -0.69 -0.07 0.00 0.00 0.00 0.00 19.45 19.35 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 0.02 -0.67 -2.45 0.00 -0.73 -1.94 -3.38 115.58 106.43 2kj6 h ASN 23 Ca -0.37 -0.03 -0.63 0.00 1.87 0.00 0.00 56.30 57.14 2kj6 h ASN 23 Cb 2.04 0.17 -0.14 0.00 0.27 0.00 0.00 38.32 40.67 2kj6 h ASN 23 CO 0.07 -0.30 0.74 -0.76 -0.37 0.00 0.00 177.43 176.81 2kj6 s LEU 24 N -9.55 4.31 -0.02 0.34 1.43 -1.26 -4.89 118.68 109.05 2kj6 s LEU 24 Ca -0.14 -1.18 -0.20 0.00 -1.03 0.00 0.00 54.13 51.57 2kj6 s LEU 24 Cb 0.02 -2.44 -0.12 0.00 0.03 0.00 0.00 46.19 43.67 2kj6 s LEU 24 CO 0.46 -1.42 0.87 0.50 0.23 0.00 0.00 176.35 177.00 2kj6 h LYS 25 N 9.49 -0.59 -5.76 1.70 1.63 -1.76 -3.01 116.57 118.27 2kj6 h LYS 25 Ca -0.16 0.04 -0.65 0.00 -0.85 0.00 0.00 60.65 59.03 2kj6 h LYS 25 Cb 1.05 0.13 -0.11 0.00 -0.60 0.00 0.00 32.23 32.71 2kj6 h LYS 25 CO 1.20 -0.33 1.66 -1.12 -3.45 0.00 0.00 179.45 177.41 2kj6 s SER 26 N -4.87 6.69 -0.23 4.20 0.01 -1.26 -4.83 113.70 113.41 2kj6 s SER 26 Ca -0.11 -2.03 -0.03 0.00 1.31 0.00 0.00 55.95 55.09 2kj6 s SER 26 Cb 0.01 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.81 2kj6 s SER 26 CO 0.36 -1.26 0.21 0.12 0.41 0.00 0.00 173.24 173.08 2kj6 s PHE 27 N 4.10 -0.17 -0.59 2.43 5.36 -1.26 -5.06 117.98 122.80 2kj6 s PHE 27 Ca 0.47 -0.12 0.05 0.00 -0.96 0.00 0.00 56.93 56.37 2kj6 s PHE 27 Cb 0.01 -0.51 0.18 0.00 -0.34 0.00 0.00 43.02 42.36 2kj6 s PHE 27 CO -0.03 -0.71 0.48 0.43 -1.46 0.00 0.00 175.22 173.93 2kj6 n SER 28 N 5.30 1.81 -4.00 6.13 7.64 -1.26 -4.33 113.62 124.92 2kj6 n SER 28 Ca -0.05 -2.94 -0.12 0.00 1.01 0.00 0.00 58.87 56.77 2kj6 n SER 28 Cb 0.47 -0.68 -0.12 0.00 -1.01 0.00 0.00 64.21 62.88 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 -1.08 0.33 0.22 -0.43 0.00 -1.24 -4.98 121.76 114.58 2kj6 s ALA 29 Ca 0.30 -0.57 -0.21 0.00 0.00 0.00 0.00 51.96 51.48 2kj6 s ALA 29 Cb 0.02 0.06 0.07 0.00 0.00 0.00 0.00 23.12 23.27 2kj6 s ALA 29 CO -0.16 -0.06 0.96 0.16 0.00 0.00 0.00 175.76 176.67 2kj6 s ASP 30 N -1.22 -0.04 -0.08 0.00 -4.77 -1.26 -0.60 116.67 108.69 2kj6 s ASP 30 Ca -0.10 -0.70 0.02 0.00 -3.30 0.00 0.00 52.55 48.47 2kj6 s ASP 30 Cb -0.08 0.57 0.01 0.00 -1.09 0.00 0.00 42.92 42.33 2kj6 s ASP 30 CO -0.00 -1.12 -0.14 0.00 0.70 0.00 0.00 175.17 174.61 2kj6 s ALA 31 N -2.50 1.49 -0.02 2.11 0.00 -1.26 -4.96 121.76 116.61 2kj6 s ALA 31 Ca 0.18 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.27 2kj6 s ALA 31 Cb -0.03 -0.69 -0.06 0.00 0.00 0.00 0.00 23.12 22.35 2kj6 s ALA 31 CO 0.06 0.06 1.53 -0.98 0.00 0.00 0.00 175.76 176.42 2kj6 s ARG 32 N 0.77 4.22 0.16 0.00 1.70 -1.26 -4.42 118.95 120.13 2kj6 s ARG 32 Ca -0.12 2.09 0.01 0.00 -0.47 0.00 0.00 55.73 57.24 2kj6 s ARG 32 Cb -0.16 -3.75 -0.00 0.00 -0.57 0.00 0.00 34.95 30.47 2kj6 s ARG 32 CO 0.02 -0.72 0.04 1.19 -1.08 0.00 0.00 175.30 174.76 2kj6 n PHE 33 N 6.19 0.14 -3.39 5.89 3.72 -0.99 -4.94 117.46 124.09 2kj6 n PHE 33 Ca 0.15 -0.98 -0.32 0.00 -0.05 0.00 0.00 57.45 56.25 2kj6 n PHE 33 Cb 0.43 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.88 2kj6 n PHE 33 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2kj6 s SER 34 N -1.97 6.66 0.00 4.37 1.04 -1.26 -1.65 113.70 120.90 2kj6 s SER 34 Ca 0.06 0.97 0.10 0.00 0.48 0.00 0.00 55.95 57.56 2kj6 s SER 34 Cb 0.00 -2.25 0.57 0.00 0.10 0.00 0.00 66.02 64.45 2kj6 s SER 34 CO 0.04 -0.06 1.06 -0.81 0.98 0.00 0.00 173.24 174.45 2kj6 n PRO 35 N -0.04 0.58 -0.23 4.02 -0.04 -1.26 -2.37 135.00 135.66 2kj6 n PRO 35 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 2kj6 n PRO 35 Cb 0.52 -1.26 0.23 0.00 -0.04 0.00 0.00 33.50 32.95 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 -0.76 2.51 -2.42 0.54 6.02 -1.26 0.08 117.38 122.09 2kj6 n GLN 36 Ca 0.07 -2.32 -0.42 0.00 -0.01 0.00 0.00 57.00 54.32 2kj6 n GLN 36 Cb 0.03 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.78 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 -1.28 3.48 0.23 -1.09 1.75 -1.00 -4.73 119.30 116.66 2kj6 s MET 37 Ca 0.39 0.64 -0.22 0.00 -1.25 0.00 0.00 55.69 55.25 2kj6 s MET 37 Cb 0.22 -4.05 -0.08 0.00 2.84 0.00 0.00 34.83 33.75 2kj6 s MET 37 CO 0.30 -1.71 0.77 -1.54 -0.65 0.00 0.00 175.02 172.19 2kj6 s SER 38 N 3.89 7.16 0.49 1.11 1.04 -1.26 -4.27 113.70 121.86 2kj6 s SER 38 Ca 0.55 1.52 0.19 0.00 0.48 0.00 0.00 55.95 58.69 2kj6 s SER 38 Cb -0.11 -2.46 1.23 0.00 0.10 0.00 0.00 66.02 64.78 2kj6 s SER 38 CO 0.29 0.05 2.07 0.58 0.98 0.00 0.00 173.24 177.21 2kj6 h VAL 39 N 2.83 0.93 -0.47 5.02 2.07 -1.79 -1.97 116.25 122.87 2kj6 h VAL 39 Ca -0.48 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 66.50 2kj6 h VAL 39 Cb 1.20 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 2kj6 h VAL 39 CO 0.65 0.11 -0.18 -0.08 0.02 0.00 0.00 177.57 178.09 2kj6 h GLU 40 N 0.00 0.96 -0.29 1.57 4.22 -1.74 -2.98 114.58 116.33 2kj6 h GLU 40 Ca -0.00 -0.40 -0.18 0.00 0.08 0.00 0.00 59.36 58.86 2kj6 h GLU 40 Cb 0.23 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2kj6 h GLU 40 CO 0.02 1.07 -0.53 0.00 -2.18 0.00 0.00 179.01 177.39 2kj6 h ALA 41 N 0.87 0.51 0.00 2.92 0.00 -1.61 -3.06 119.26 118.88 2kj6 h ALA 41 Ca 0.11 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 2kj6 h ALA 41 Cb 0.76 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2kj6 h ALA 41 CO 0.06 0.68 -0.32 -0.24 0.00 0.00 0.00 179.25 179.43 2kj6 h VAL 42 N 0.66 1.09 -0.37 0.00 3.04 -1.45 -2.32 116.25 116.90 2kj6 h VAL 42 Ca 0.02 -1.15 -0.00 0.00 -1.01 0.00 0.00 66.70 64.56 2kj6 h VAL 42 Cb 1.13 1.64 -0.02 0.00 -2.01 0.00 0.00 31.29 32.03 2kj6 h VAL 42 CO 0.12 0.31 0.22 0.11 -1.01 0.00 0.00 177.57 177.32 2kj6 h LYS 43 N 0.00 0.51 -0.01 4.17 1.57 -1.42 -1.26 116.57 120.13 2kj6 h LYS 43 Ca -0.00 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 2kj6 h LYS 43 Cb 0.62 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2kj6 h LYS 43 CO 0.04 0.40 -0.45 0.93 -0.57 0.00 0.00 179.45 179.80 2kj6 h GLU 44 N 0.48 0.03 -0.02 3.15 5.08 -1.49 -0.22 114.58 121.60 2kj6 h GLU 44 Ca 0.13 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.33 2kj6 h GLU 44 Cb 0.03 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2kj6 h GLU 44 CO -0.02 0.48 -0.65 -0.22 -1.00 0.00 0.00 179.01 177.59 2kj6 h LYS 45 N 0.03 0.10 -0.03 2.33 3.64 -1.01 0.54 116.57 122.16 2kj6 h LYS 45 Ca -0.00 -0.08 -0.26 0.00 -1.27 0.00 0.00 60.65 59.05 2kj6 h LYS 45 Cb 0.81 0.01 0.02 0.00 -0.41 0.00 0.00 32.23 32.67 2kj6 h LYS 45 CO 0.06 0.72 -0.99 -0.07 -2.27 0.00 0.00 179.45 176.90 2kj6 h LEU 46 N 0.07 0.92 -1.39 5.20 3.38 -0.96 -3.13 115.31 119.39 2kj6 h LEU 46 Ca -0.01 -0.70 0.03 0.00 0.09 0.00 0.00 57.88 57.29 2kj6 h LEU 46 Cb 1.17 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 2kj6 h LEU 46 CO 0.09 1.51 0.44 -0.25 0.09 0.00 0.00 178.44 180.31 2kj6 h TRP 47 N 0.43 0.76 -0.24 1.13 7.01 -0.78 0.44 115.95 124.70 2kj6 h TRP 47 Ca -0.11 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.91 2kj6 h TRP 47 Cb 1.63 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 28.44 2kj6 h TRP 47 CO 0.10 0.45 0.00 1.63 -2.79 0.00 0.00 178.44 177.83 2kj6 n LYS 48 N -4.46 1.82 0.00 2.65 5.02 0.16 -2.12 118.16 121.22 2kj6 n LYS 48 Ca 0.08 -0.98 0.00 0.00 -2.02 0.00 0.00 58.31 55.39 2kj6 n LYS 48 Cb 0.12 -1.36 0.00 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 0.25 0.00 -0.02 1.97 4.81 -0.38 -4.89 118.16 119.89 2kj6 n LYS 49 Ca 0.09 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.39 2kj6 n LYS 49 Cb 0.32 -0.30 -0.14 0.00 0.02 0.00 0.00 35.03 34.93 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 1.76 0.69 3.84 0.00 0.00 -0.90 -5.01 105.19 105.56 2kj6 n GLY 51 Ca -0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.86 5.26 0.33 2.61 2.01 -1.26 -5.04 115.64 116.69 2kj6 s THR 52 Ca 0.00 0.55 -0.28 0.00 0.31 0.00 0.00 61.69 62.26 2kj6 s THR 52 Cb 0.00 -3.58 -0.10 0.00 0.01 0.00 0.00 72.50 68.84 2kj6 s THR 52 CO 0.00 0.56 1.22 -0.44 -0.69 0.00 0.00 174.62 175.27 2kj6 s SER 53 N -0.81 6.89 0.00 3.53 0.01 -1.26 -4.59 113.70 117.48 2kj6 s SER 53 Ca 0.19 2.50 0.00 0.00 1.31 0.00 0.00 55.95 59.95 2kj6 s SER 53 Cb -0.14 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.45 2kj6 s SER 53 CO 0.08 -0.43 0.76 1.33 0.41 0.00 0.00 173.24 175.40 2kj6 n VAL 54 N 0.81 0.00 0.15 3.43 0.24 -1.26 -3.20 118.33 118.50 2kj6 n VAL 54 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2kj6 n VAL 54 Cb 0.43 -0.12 0.25 0.00 -1.47 0.00 0.00 33.84 32.93 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 0.00 0.03 -0.22 -1.34 -1.24 -2.03 -2.77 115.58 108.01 2kj6 h ASN 55 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2kj6 h ASN 55 Cb 0.00 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.04 2kj6 h ASN 55 CO 0.00 0.52 0.00 -1.20 -1.29 0.00 0.00 177.43 175.46 2kj6 n SER 56 N -3.94 1.35 -3.87 1.15 7.64 -1.19 -4.67 113.62 110.09 2kj6 n SER 56 Ca -0.02 -2.04 -0.30 0.00 1.01 0.00 0.00 58.87 57.53 2kj6 n SER 56 Cb 0.52 -0.20 -0.16 0.00 -1.01 0.00 0.00 64.21 63.36 2kj6 n SER 56 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2kj6 s MET 57 N -1.68 1.28 -0.26 1.43 -2.45 -1.04 -4.19 119.30 112.38 2kj6 s MET 57 Ca 0.15 -0.92 -0.12 0.00 -1.25 0.00 0.00 55.69 53.56 2kj6 s MET 57 Cb 0.08 -2.44 -0.05 0.00 1.25 0.00 0.00 34.83 33.67 2kj6 s MET 57 CO 0.09 -0.67 0.21 0.00 1.05 0.00 0.00 175.02 175.70 2kj6 s ALA 58 N 1.50 3.56 -0.39 4.11 0.00 -1.26 -5.00 121.76 124.29 2kj6 s ALA 58 Ca -0.02 -0.97 -0.15 0.00 0.00 0.00 0.00 51.96 50.83 2kj6 s ALA 58 Cb -0.18 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.48 2kj6 s ALA 58 CO -0.09 -0.44 0.31 -0.51 0.00 0.00 0.00 175.76 175.02 2kj6 s LEU 59 N 1.56 4.93 -0.34 0.00 1.43 -1.26 -0.70 118.68 124.30 2kj6 s LEU 59 Ca 0.09 -0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 52.35 2kj6 s LEU 59 Cb -0.15 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.89 2kj6 s LEU 59 CO 0.09 -0.41 0.17 -0.70 0.23 0.00 0.00 176.35 175.73 2kj6 s GLU 60 N 1.75 3.03 -0.29 1.70 2.12 -0.46 -4.98 118.70 121.57 2kj6 s GLU 60 Ca 0.06 -0.93 -0.17 0.00 0.36 0.00 0.00 54.97 54.29 2kj6 s GLU 60 Cb -0.18 -3.64 -0.02 0.00 0.26 0.00 0.00 34.13 30.55 2kj6 s GLU 60 CO 0.11 -0.58 0.46 -1.17 -0.54 0.00 0.00 175.26 173.54 2kj6 s LEU 61 N 1.57 4.14 -0.05 2.70 2.96 -1.26 -0.05 118.68 128.68 2kj6 s LEU 61 Ca 0.03 0.26 -0.08 0.00 -0.22 0.00 0.00 54.13 54.12 2kj6 s LEU 61 Cb -0.18 -2.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.92 2kj6 s LEU 61 CO 0.06 -0.30 0.23 -0.31 -1.32 0.00 0.00 176.35 174.71 2kj6 s TYR 62 N 2.24 3.62 0.51 5.38 2.02 0.36 -1.56 117.35 129.90 2kj6 s TYR 62 Ca 0.18 0.62 0.07 0.00 -0.37 0.00 0.00 57.07 57.58 2kj6 s TYR 62 Cb -0.16 -2.02 0.03 0.00 -0.40 0.00 0.00 41.96 39.42 2kj6 s TYR 62 CO 0.11 0.68 0.52 0.16 -1.57 0.00 0.00 175.55 175.44 2kj6 s ASP 63 N -1.28 4.96 0.00 2.29 -4.77 -0.80 -1.07 116.67 115.99 2kj6 s ASP 63 Ca 0.21 -0.93 0.23 0.00 -3.30 0.00 0.00 52.55 48.76 2kj6 s ASP 63 Cb -0.13 0.02 0.08 0.00 -1.09 0.00 0.00 42.92 41.80 2kj6 s ASP 63 CO 0.10 -1.02 1.13 -0.67 0.70 0.00 0.00 175.17 175.41 2kj6 n ASP 64 N -1.84 1.39 -0.05 2.11 2.03 -1.26 -4.30 116.55 114.62 2kj6 n ASP 64 Ca 0.05 -1.13 -0.06 0.00 0.52 0.00 0.00 54.79 54.18 2kj6 n ASP 64 Cb 0.62 0.58 -0.07 0.00 -0.72 0.00 0.00 41.12 41.53 2kj6 n ASP 64 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2kj6 n SER 65 N -0.75 2.76 0.00 1.67 3.41 -1.26 -5.02 113.62 114.43 2kj6 n SER 65 Ca 0.08 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2kj6 n SER 65 Cb 0.39 0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 2kj6 n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kj6 n GLY 66 N 2.56 1.13 0.00 5.00 0.00 -1.26 -5.14 105.19 107.48 2kj6 n GLY 66 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.62 1.61 7.64 -1.26 -4.83 113.62 112.16 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 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 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 0.00 4.01 -0.29 1.43 1.02 -1.26 -1.90 119.74 122.75 2kj6 s LYS 68 Ca 0.00 -0.22 0.13 0.00 0.02 0.00 0.00 55.97 55.90 2kj6 s LYS 68 Cb 0.00 -3.61 0.48 0.00 -0.52 0.00 0.00 37.83 34.17 2kj6 s LYS 68 CO 0.00 -0.10 1.15 1.33 -0.92 0.00 0.00 175.35 176.80 2kj6 n VAL 69 N 4.77 2.01 -2.47 3.17 0.24 -0.60 -4.94 118.33 120.50 2kj6 n VAL 69 Ca -0.13 -3.76 -0.43 0.00 -2.04 0.00 0.00 64.34 57.98 2kj6 n VAL 69 Cb 0.52 -0.20 -0.02 0.00 -1.47 0.00 0.00 33.84 32.66 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 -3.65 3.16 0.00 2.33 0.00 -1.26 -4.88 121.76 117.46 2kj6 s ALA 70 Ca 0.41 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2kj6 s ALA 70 Cb 0.38 -3.88 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2kj6 s ALA 70 CO -0.00 -2.19 0.00 0.28 0.00 0.00 0.00 175.76 173.85 2kj6 n VAL 71 N 6.78 0.00 -1.56 0.00 0.31 -1.26 -4.99 118.33 117.61 2kj6 n VAL 71 Ca 0.14 0.45 -0.14 0.00 -0.01 0.00 0.00 64.34 64.79 2kj6 n VAL 71 Cb 0.48 -1.42 -0.05 0.00 -0.91 0.00 0.00 33.84 31.94 2kj6 n VAL 71 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2kj6 n LEU 72 N -2.25 -1.12 -0.05 7.52 7.94 -1.26 -4.78 117.00 123.01 2kj6 n LEU 72 Ca 0.00 0.28 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 2kj6 n LEU 72 Cb 0.00 -2.07 0.01 0.00 0.53 0.00 0.00 43.42 41.89 2kj6 n LEU 72 CO 0.00 -0.61 0.37 -0.24 -1.11 0.00 0.00 177.39 175.80 2kj6 n SER 73 N -0.29 1.52 -1.48 1.96 2.88 -1.26 -4.56 113.62 112.39 2kj6 n SER 73 Ca -0.14 -1.46 0.10 0.00 -1.33 0.00 0.00 58.87 56.03 2kj6 n SER 73 Cb 0.48 -0.01 0.34 0.00 -0.75 0.00 0.00 64.21 64.27 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 -0.15 4.52 0.28 -3.46 5.75 -1.26 -4.59 116.55 117.64 2kj6 n ASP 74 Ca 0.01 -2.38 0.15 0.00 -0.01 0.00 0.00 54.79 52.55 2kj6 n ASP 74 Cb 0.13 -0.55 0.81 0.00 -1.03 0.00 0.00 41.12 40.49 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 3.92 0.00 -0.19 -1.12 2.03 -1.96 -0.84 116.42 118.27 2kj6 h ASP 75 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kj6 h ASP 75 Cb 1.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.85 2kj6 h ASP 75 CO 0.18 0.08 0.00 -1.20 -1.03 0.00 0.00 179.24 177.27 2kj6 n SER 76 N -3.57 2.39 -4.44 4.15 7.64 -1.26 -1.91 113.62 116.62 2kj6 n SER 76 Ca -0.02 -1.81 -0.22 0.00 1.01 0.00 0.00 58.87 57.83 2kj6 n SER 76 Cb 0.20 -0.12 -0.10 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.77 1.59 0.20 1.43 1.81 -0.32 -5.08 118.95 116.80 2kj6 s ARG 77 Ca 0.34 -1.73 -0.30 0.00 -1.72 0.00 0.00 55.73 52.32 2kj6 s ARG 77 Cb 0.20 -1.57 -0.09 0.00 -0.45 0.00 0.00 34.95 33.03 2kj6 s ARG 77 CO 0.30 0.27 1.41 -2.14 -0.68 0.00 0.00 175.30 174.45 2kj6 s PRO 78 N -3.56 4.31 0.52 3.54 0.02 -1.26 -4.50 135.00 134.07 2kj6 s PRO 78 Ca 0.28 2.19 0.18 0.00 0.02 0.00 0.00 61.00 63.67 2kj6 s PRO 78 Cb -0.03 -3.17 1.32 0.00 0.02 0.00 0.00 34.50 32.64 2kj6 s PRO 78 CO 0.13 -0.39 2.14 1.25 -0.33 0.00 0.00 177.00 179.80 2kj6 h LEU 79 N 5.72 0.00 -1.20 -5.54 5.85 -1.43 0.78 115.31 119.50 2kj6 h LEU 79 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2kj6 h LEU 79 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2kj6 h LEU 79 CO 0.81 0.02 0.00 1.23 -0.34 0.00 0.00 178.44 180.17 2kj6 h GLY 80 N 0.08 0.00 1.95 3.75 0.00 -0.71 -2.00 103.07 106.15 2kj6 h GLY 80 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2kj6 h GLY 80 CO 0.00 0.00 -0.46 -2.75 0.00 0.00 0.00 176.54 173.34 2kj6 h PHE 81 N 0.00 0.06 0.00 5.60 3.57 -1.08 -2.35 116.94 122.74 2kj6 h PHE 81 Ca 0.00 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.33 2kj6 h PHE 81 Cb 0.31 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 2kj6 h PHE 81 CO 0.00 0.50 -1.13 0.35 -2.23 0.00 0.00 178.31 175.80 2kj6 h PHE 82 N 0.04 0.00 -4.61 0.41 3.57 -1.50 -3.50 116.94 111.36 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 0.82 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.56 2kj6 h PHE 82 CO 0.00 0.58 -0.48 0.43 -2.23 0.00 0.00 178.31 176.61 2kj6 n SER 83 N -3.01 -6.33 -1.33 0.41 7.64 -0.85 -5.08 113.62 105.07 2kj6 n SER 83 Ca -0.06 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.44 2kj6 n SER 83 Cb 0.82 -4.17 0.00 0.00 -1.01 0.00 0.00 64.21 59.85 2kj6 n SER 83 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2kj6 n PRO 84 N -0.06 1.68 -4.12 1.43 -0.04 -1.26 -5.06 135.00 127.57 2kj6 n PRO 84 Ca 0.06 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.25 2kj6 n PRO 84 Cb 0.22 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.64 2kj6 n PRO 84 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2kj6 s PHE 85 N 1.04 1.99 -1.19 0.54 0.08 -1.26 -5.04 117.98 114.12 2kj6 s PHE 85 Ca 0.00 -0.78 0.11 0.00 0.12 0.00 0.00 56.93 56.38 2kj6 s PHE 85 Cb 0.00 -1.87 0.20 0.00 -0.57 0.00 0.00 43.02 40.77 2kj6 s PHE 85 CO 0.00 -0.13 1.05 -0.40 -0.10 0.00 0.00 175.22 175.64 2kj6 n ASP 86 N -1.51 2.43 -1.50 1.36 5.75 -1.26 -4.45 116.55 117.36 2kj6 n ASP 86 Ca -0.05 -1.73 0.04 0.00 -0.01 0.00 0.00 54.79 53.04 2kj6 n ASP 86 Cb 0.65 -0.11 0.32 0.00 -1.03 0.00 0.00 41.12 40.94 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 0.59 3.64 3.80 6.12 0.00 -1.26 -4.31 105.19 113.76 2kj6 n GLY 87 Ca 0.09 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.87 3.55 -0.24 1.61 0.08 -1.26 -4.50 117.98 114.34 2kj6 s PHE 88 Ca 0.50 1.67 -0.01 0.00 0.12 0.00 0.00 56.93 59.21 2kj6 s PHE 88 Cb 0.39 -2.86 0.02 0.00 -0.57 0.00 0.00 43.02 40.01 2kj6 s PHE 88 CO 0.12 0.11 -0.08 1.03 -0.10 0.00 0.00 175.22 176.30 2kj6 s ARG 89 N -2.47 2.89 -0.65 0.44 0.52 -0.23 -3.64 118.95 115.82 2kj6 s ARG 89 Ca 0.54 -0.94 -0.23 0.00 -0.52 0.00 0.00 55.73 54.59 2kj6 s ARG 89 Cb -0.15 -2.94 0.07 0.00 0.52 0.00 0.00 34.95 32.45 2kj6 s ARG 89 CO 0.20 -0.36 0.96 -0.51 0.02 0.00 0.00 175.30 175.61 2kj6 s LEU 90 N 1.33 4.34 -0.78 2.53 1.02 0.56 -0.49 118.68 127.20 2kj6 s LEU 90 Ca 0.01 -0.93 -0.22 0.00 0.02 0.00 0.00 54.13 53.02 2kj6 s LEU 90 Cb -0.16 -2.45 0.08 0.00 0.02 0.00 0.00 46.19 43.68 2kj6 s LEU 90 CO -0.05 -1.43 1.08 -2.28 0.02 0.00 0.00 176.35 173.69 2kj6 s HIS 91 N 4.07 2.77 -0.33 0.29 2.46 0.93 -0.73 115.29 124.74 2kj6 s HIS 91 Ca 0.23 -0.80 -0.29 0.00 0.47 0.00 0.00 55.06 54.67 2kj6 s HIS 91 Cb -0.16 -4.35 0.01 0.00 -0.13 0.00 0.00 32.58 27.94 2kj6 s HIS 91 CO 0.11 -1.66 1.28 0.42 -2.47 0.00 0.00 174.74 172.42 2kj6 s ILE 92 N 3.85 4.16 -0.39 0.89 1.01 0.90 -1.35 121.20 130.25 2kj6 s ILE 92 Ca 0.28 1.28 -0.29 0.00 0.00 0.00 0.00 60.65 61.93 2kj6 s ILE 92 Cb -0.11 -4.23 0.01 0.00 0.01 0.00 0.00 42.46 38.14 2kj6 s ILE 92 CO 0.03 -0.56 1.45 -0.63 0.00 0.00 0.00 174.94 175.23 2kj6 s ILE 93 N 4.44 3.87 -0.59 2.92 -1.09 0.13 -2.87 121.20 128.00 2kj6 s ILE 93 Ca 0.55 0.89 -0.26 0.00 -2.23 0.00 0.00 60.65 59.60 2kj6 s ILE 93 Cb -0.15 -4.14 -0.03 0.00 -1.58 0.00 0.00 42.46 36.56 2kj6 s ILE 93 CO 0.24 -0.70 2.00 -1.81 -1.23 0.00 0.00 174.94 173.44 2kj6 s ASP 94 N 4.10 5.04 0.00 3.58 1.11 -1.26 -3.98 116.67 125.26 2kj6 s ASP 94 Ca 0.63 0.49 0.00 0.00 0.18 0.00 0.00 52.55 53.85 2kj6 s ASP 94 Cb -0.15 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.32 2kj6 s ASP 94 CO 0.32 -2.53 0.00 0.18 1.18 0.00 0.00 175.17 174.32 2kj6 n LEU 95 N 13.64 0.00 -4.17 1.23 4.77 -1.26 -4.98 117.00 126.23 2kj6 n LEU 95 Ca 0.25 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.88 2kj6 n LEU 95 Cb 0.53 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 2kj6 n LEU 95 CO 0.71 -0.18 -0.31 1.51 -1.33 0.00 0.00 177.39 177.79 2kj6 s ASP 96 N -0.94 5.01 0.00 -1.43 -4.77 -1.26 -5.07 116.67 108.21 2kj6 s ASP 96 Ca 0.00 -1.44 0.30 0.00 -3.30 0.00 0.00 52.55 48.11 2kj6 s ASP 96 Cb 0.00 -1.75 1.48 0.00 -1.09 0.00 0.00 42.92 41.56 2kj6 s ASP 96 CO 0.00 -0.33 1.99 -0.81 0.70 0.00 0.00 175.17 176.72