#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 -1.50 3.69 3.03 0.00 -1.26 -5.14 105.19 104.02 2kj6 n GLY 2 Ca 0.00 0.60 -0.40 0.00 0.00 0.00 0.00 46.02 46.22 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 3.49 -0.58 1.61 4.02 -1.26 -5.01 115.29 117.56 2kj6 s HIS 3 Ca 0.00 1.22 0.02 0.00 1.02 0.00 0.00 55.06 57.32 2kj6 s HIS 3 Cb 0.00 -2.90 0.15 0.00 -1.02 0.00 0.00 32.58 28.81 2kj6 s HIS 3 CO 0.00 -0.08 0.35 -3.38 1.02 0.00 0.00 174.74 172.65 2kj6 s HIS 4 N 1.49 3.30 -0.94 1.40 0.00 -1.26 -4.88 115.29 114.39 2kj6 s HIS 4 Ca 0.37 -3.05 0.21 0.00 -3.00 0.00 0.00 55.06 49.59 2kj6 s HIS 4 Cb -0.17 -2.94 -0.21 0.00 -4.00 0.00 0.00 32.58 25.26 2kj6 s HIS 4 CO 0.15 -0.75 0.89 1.58 -1.00 0.00 0.00 174.74 175.61 2kj6 n HIS 5 N 3.09 0.00 -1.96 0.38 -0.00 -1.26 -4.85 115.22 110.63 2kj6 n HIS 5 Ca 0.08 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.45 2kj6 n HIS 5 Cb 0.34 -0.04 -0.04 0.00 -0.00 0.00 0.00 29.99 30.26 2kj6 n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kj6 s HIS 6 N -3.03 1.58 -0.10 1.57 2.46 -1.26 -4.95 115.29 111.57 2kj6 s HIS 6 Ca 0.07 0.91 -0.01 0.00 0.47 0.00 0.00 55.06 56.51 2kj6 s HIS 6 Cb 0.16 -3.98 -0.03 0.00 -0.13 0.00 0.00 32.58 28.60 2kj6 s HIS 6 CO 0.87 -2.20 -0.05 -1.58 -2.47 0.00 0.00 174.74 169.31 2kj6 s HIS 7 N 9.94 3.00 0.00 3.88 5.04 -1.26 -5.07 115.29 130.82 2kj6 s HIS 7 Ca 0.73 -0.05 0.00 0.00 -1.54 0.00 0.00 55.06 54.20 2kj6 s HIS 7 Cb -0.12 -1.80 0.00 0.00 0.04 0.00 0.00 32.58 30.70 2kj6 s HIS 7 CO 0.17 0.24 0.00 0.72 -2.34 0.00 0.00 174.74 173.53 2kj6 n HIS 8 N 2.61 0.00 -3.80 3.88 -0.00 -1.26 -5.11 115.22 111.54 2kj6 n HIS 8 Ca -0.18 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.61 2kj6 n HIS 8 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.50 2kj6 n HIS 8 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kj6 n SER 9 N 0.00 -6.87 -4.21 0.41 7.64 -1.26 -4.92 113.62 104.42 2kj6 n SER 9 Ca 0.00 0.52 -0.20 0.00 1.01 0.00 0.00 58.87 60.21 2kj6 n SER 9 Cb 0.00 -1.47 -0.12 0.00 -1.01 0.00 0.00 64.21 61.61 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 -0.75 1.38 0.00 1.43 0.09 -1.26 -5.05 115.29 111.14 2kj6 s HIS 10 Ca 0.00 -0.46 0.00 0.00 -0.00 0.00 0.00 55.06 54.60 2kj6 s HIS 10 Cb 0.00 -0.76 0.00 0.00 -0.00 0.00 0.00 32.58 31.82 2kj6 s HIS 10 CO 0.00 0.11 0.00 0.41 -0.00 0.00 0.00 174.74 175.26 2kj6 n GLY 11 N 1.14 -1.26 2.27 -2.22 0.00 -1.26 -5.06 105.19 98.80 2kj6 n GLY 11 Ca -0.20 0.59 -0.33 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 7.93 -3.05 1.61 2.03 -1.26 -4.29 116.55 119.52 2kj6 n ASP 12 Ca 0.00 -2.64 -0.17 0.00 0.52 0.00 0.00 54.79 52.50 2kj6 n ASP 12 Cb 0.00 -1.50 -0.01 0.00 -0.72 0.00 0.00 41.12 38.89 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 3.06 -0.39 -3.57 1.67 5.68 -1.26 -5.11 116.55 116.63 2kj6 n ASP 13 Ca 0.69 -3.08 -0.16 0.00 -0.50 0.00 0.00 54.79 51.74 2kj6 n ASP 13 Cb 0.38 0.14 -0.06 0.00 -1.14 0.00 0.00 41.12 40.43 2kj6 n ASP 13 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2kj6 s SER 14 N -1.77 -0.66 -0.20 -1.12 1.04 -1.26 -4.66 113.70 105.06 2kj6 s SER 14 Ca 0.34 0.99 -0.06 0.00 0.48 0.00 0.00 55.95 57.69 2kj6 s SER 14 Cb 0.27 0.90 -0.03 0.00 0.10 0.00 0.00 66.02 67.26 2kj6 s SER 14 CO -0.10 -0.43 0.04 0.68 0.98 0.00 0.00 173.24 174.41 2kj6 s VAL 15 N -0.51 4.39 -1.20 5.02 -7.23 -0.23 -4.87 120.40 115.77 2kj6 s VAL 15 Ca -0.05 -0.17 -0.15 0.00 -1.81 0.00 0.00 61.98 59.80 2kj6 s VAL 15 Cb -0.02 -2.99 0.16 0.00 0.56 0.00 0.00 36.38 34.08 2kj6 s VAL 15 CO 0.05 0.42 1.45 -1.00 -0.31 0.00 0.00 175.10 175.72 2kj6 s HIS 16 N 0.83 3.40 -0.08 2.82 3.76 -1.25 -0.20 115.29 124.56 2kj6 s HIS 16 Ca 0.02 -2.03 -0.30 0.00 -0.15 0.00 0.00 55.06 52.61 2kj6 s HIS 16 Cb -0.14 -4.36 -0.04 0.00 1.11 0.00 0.00 32.58 29.15 2kj6 s HIS 16 CO 0.02 -1.45 1.42 -0.51 -0.85 0.00 0.00 174.74 173.37 2kj6 s LEU 17 N 1.95 4.26 -0.99 0.89 1.43 -1.03 -4.66 118.68 120.54 2kj6 s LEU 17 Ca 0.43 1.97 -0.20 0.00 -1.03 0.00 0.00 54.13 55.30 2kj6 s LEU 17 Cb -0.02 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.75 2kj6 s LEU 17 CO 0.00 -0.79 1.30 -1.00 0.23 0.00 0.00 176.35 176.09 2kj6 s HIS 18 N 3.34 2.87 -0.07 0.29 3.76 -1.23 -3.63 115.29 120.61 2kj6 s HIS 18 Ca 0.63 -1.19 -0.30 0.00 -0.15 0.00 0.00 55.06 54.05 2kj6 s HIS 18 Cb -0.28 -4.48 -0.04 0.00 1.11 0.00 0.00 32.58 28.89 2kj6 s HIS 18 CO 0.23 -1.69 1.43 0.42 -0.85 0.00 0.00 174.74 174.27 2kj6 s ILE 19 N 3.68 3.88 0.04 0.60 1.01 -1.24 -0.60 121.20 128.57 2kj6 s ILE 19 Ca 0.39 1.14 0.02 0.00 0.00 0.00 0.00 60.65 62.21 2kj6 s ILE 19 Cb -0.02 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.69 2kj6 s ILE 19 CO -0.09 -0.07 -0.07 -0.89 0.00 0.00 0.00 174.94 173.83 2kj6 s THR 20 N 3.28 0.48 0.57 2.92 2.01 0.37 -4.27 115.64 121.00 2kj6 s THR 20 Ca 0.63 -0.98 0.09 0.00 0.31 0.00 0.00 61.69 61.74 2kj6 s THR 20 Cb -0.28 -0.55 0.08 0.00 0.01 0.00 0.00 72.50 71.76 2kj6 s THR 20 CO 0.23 -0.35 0.79 -1.00 -0.69 0.00 0.00 174.62 173.60 2kj6 s HIS 21 N -1.27 1.57 -0.09 4.92 3.76 -1.10 0.29 115.29 123.36 2kj6 s HIS 21 Ca -0.09 -0.65 -0.03 0.00 -0.15 0.00 0.00 55.06 54.13 2kj6 s HIS 21 Cb -0.09 -2.29 -0.26 0.00 1.11 0.00 0.00 32.58 31.05 2kj6 s HIS 21 CO 0.00 -1.12 0.47 0.00 -0.85 0.00 0.00 174.74 173.24 2kj6 h ALA 22 N 0.17 0.48 -0.03 -1.40 0.00 -1.57 -3.36 119.26 113.55 2kj6 h ALA 22 Ca -0.31 -1.38 -0.15 0.00 0.00 0.00 0.00 54.91 53.07 2kj6 h ALA 22 Cb 1.29 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 2kj6 h ALA 22 CO 0.41 1.35 -0.65 -0.97 0.00 0.00 0.00 179.25 179.39 2kj6 h ASN 23 N 0.06 0.14 -3.70 0.00 -0.73 -1.93 -3.41 115.58 106.02 2kj6 h ASN 23 Ca -0.38 -0.09 -0.68 0.00 1.87 0.00 0.00 56.30 57.01 2kj6 h ASN 23 Cb 2.03 -0.04 -0.32 0.00 0.27 0.00 0.00 38.32 40.27 2kj6 h ASN 23 CO 0.10 0.75 -0.69 -0.76 -0.37 0.00 0.00 177.43 176.46 2kj6 s LEU 24 N -7.71 3.82 0.08 0.34 1.43 -1.26 -4.98 118.68 110.41 2kj6 s LEU 24 Ca -0.03 -1.14 -0.06 0.00 -1.03 0.00 0.00 54.13 51.87 2kj6 s LEU 24 Cb 0.12 -1.74 -0.25 0.00 0.03 0.00 0.00 46.19 44.35 2kj6 s LEU 24 CO 0.79 -0.24 1.16 0.50 0.23 0.00 0.00 176.35 178.78 2kj6 h LYS 25 N 8.05 0.36 -3.61 1.70 1.63 -1.80 -2.92 116.57 119.98 2kj6 h LYS 25 Ca -0.24 -0.54 -0.72 0.00 -0.85 0.00 0.00 60.65 58.30 2kj6 h LYS 25 Cb 1.08 0.19 -0.33 0.00 -0.60 0.00 0.00 32.23 32.57 2kj6 h LYS 25 CO 0.55 1.24 -0.25 0.45 -3.45 0.00 0.00 179.45 177.99 2kj6 s SER 26 N -7.21 5.59 -0.29 4.20 0.15 -1.26 -4.88 113.70 109.99 2kj6 s SER 26 Ca -0.05 -2.86 -0.03 0.00 0.70 0.00 0.00 55.95 53.70 2kj6 s SER 26 Cb 0.07 -1.93 0.04 0.00 -1.71 0.00 0.00 66.02 62.48 2kj6 s SER 26 CO 0.89 -0.40 0.01 0.12 1.20 0.00 0.00 173.24 175.06 2kj6 s PHE 27 N -0.08 3.19 -0.76 3.44 5.36 -1.26 -5.05 117.98 122.82 2kj6 s PHE 27 Ca 0.18 -1.58 -0.26 0.00 -0.96 0.00 0.00 56.93 54.31 2kj6 s PHE 27 Cb -0.18 -2.14 0.01 0.00 -0.34 0.00 0.00 43.02 40.37 2kj6 s PHE 27 CO -0.05 -0.74 1.58 -1.12 -1.46 0.00 0.00 175.22 173.44 2kj6 s SER 28 N 1.33 5.78 -0.01 6.13 0.01 -1.26 -4.66 113.70 121.03 2kj6 s SER 28 Ca -0.02 -0.35 0.14 0.00 1.31 0.00 0.00 55.95 57.02 2kj6 s SER 28 Cb -0.18 -2.55 0.23 0.00 0.21 0.00 0.00 66.02 63.73 2kj6 s SER 28 CO -0.01 -2.08 1.10 0.00 0.41 0.00 0.00 173.24 172.65 2kj6 n ALA 29 N 11.01 3.01 -2.18 1.44 0.00 -1.26 -5.01 120.51 127.52 2kj6 n ALA 29 Ca 0.18 -1.58 -0.41 0.00 0.00 0.00 0.00 53.44 51.63 2kj6 n ALA 29 Cb 0.50 -0.55 -0.01 0.00 0.00 0.00 0.00 19.45 19.39 2kj6 n ALA 29 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kj6 n ASP 30 N 0.24 4.26 -4.95 0.00 5.75 -1.26 -3.60 116.55 116.98 2kj6 n ASP 30 Ca -0.10 -2.86 -0.23 0.00 -0.01 0.00 0.00 54.79 51.60 2kj6 n ASP 30 Cb 0.94 -1.68 -0.02 0.00 -1.03 0.00 0.00 41.12 39.33 2kj6 n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kj6 s ALA 31 N 4.75 3.80 -0.39 2.12 0.00 -1.24 -4.86 121.76 125.93 2kj6 s ALA 31 Ca 0.54 -1.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.27 2kj6 s ALA 31 Cb 0.07 -1.96 0.01 0.00 0.00 0.00 0.00 23.12 21.25 2kj6 s ALA 31 CO 0.04 0.11 0.60 -0.98 0.00 0.00 0.00 175.76 175.53 2kj6 s ARG 32 N -4.13 3.46 0.26 0.00 1.70 -1.26 -2.46 118.95 116.52 2kj6 s ARG 32 Ca 0.38 -0.22 0.08 0.00 -0.47 0.00 0.00 55.73 55.50 2kj6 s ARG 32 Cb -0.09 -3.88 -0.04 0.00 -0.57 0.00 0.00 34.95 30.37 2kj6 s ARG 32 CO 0.33 -0.84 0.13 -0.06 -1.08 0.00 0.00 175.30 173.78 2kj6 s PHE 33 N 2.67 2.95 0.29 5.89 0.08 0.72 -4.87 117.98 125.71 2kj6 s PHE 33 Ca 0.22 -0.16 -0.29 0.00 0.12 0.00 0.00 56.93 56.81 2kj6 s PHE 33 Cb -0.15 -1.35 -0.10 0.00 -0.57 0.00 0.00 43.02 40.85 2kj6 s PHE 33 CO 0.16 0.54 1.18 -1.12 -0.10 0.00 0.00 175.22 175.88 2kj6 s SER 34 N -3.79 7.08 0.52 1.36 0.01 -1.26 -1.07 113.70 116.55 2kj6 s SER 34 Ca 0.33 2.42 0.21 0.00 1.31 0.00 0.00 55.95 60.21 2kj6 s SER 34 Cb -0.07 -2.63 1.37 0.00 0.21 0.00 0.00 66.02 64.89 2kj6 s SER 34 CO 0.23 -0.30 2.13 -0.65 0.41 0.00 0.00 173.24 175.07 2kj6 h PRO 35 N 3.74 0.00 -0.61 12.44 0.11 -1.95 -1.89 132.00 143.85 2kj6 h PRO 35 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kj6 h PRO 35 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2kj6 h PRO 35 CO 0.67 0.06 0.00 1.04 -0.21 0.00 0.00 178.00 179.56 2kj6 n GLN 36 N -4.20 2.56 -2.78 1.05 6.02 -1.26 0.46 117.38 119.23 2kj6 n GLN 36 Ca -0.03 -1.55 -0.43 0.00 -0.01 0.00 0.00 57.00 54.98 2kj6 n GLN 36 Cb 0.14 -1.64 -0.03 0.00 1.02 0.00 0.00 30.24 29.73 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 -1.73 3.57 0.72 -1.09 1.75 -0.71 -4.70 119.30 117.10 2kj6 s MET 37 Ca 0.28 -1.46 -0.07 0.00 -1.25 0.00 0.00 55.69 53.19 2kj6 s MET 37 Cb 0.18 -5.04 0.07 0.00 2.84 0.00 0.00 34.83 32.88 2kj6 s MET 37 CO 0.13 -1.94 1.03 -1.54 -0.65 0.00 0.00 175.02 172.05 2kj6 s SER 38 N 4.13 4.75 0.28 1.11 1.04 -1.26 -4.59 113.70 119.16 2kj6 s SER 38 Ca 0.37 0.46 0.04 0.00 0.48 0.00 0.00 55.95 57.31 2kj6 s SER 38 Cb -0.04 -1.09 0.41 0.00 0.10 0.00 0.00 66.02 65.40 2kj6 s SER 38 CO -0.08 -1.65 1.69 0.58 0.98 0.00 0.00 173.24 174.76 2kj6 h VAL 39 N -0.65 1.30 -0.93 5.02 2.07 -1.49 -1.27 116.25 120.29 2kj6 h VAL 39 Ca -0.44 -1.46 0.11 0.00 0.82 0.00 0.00 66.70 65.73 2kj6 h VAL 39 Cb 1.32 1.58 -0.08 0.00 -1.52 0.00 0.00 31.29 32.58 2kj6 h VAL 39 CO 0.60 0.45 0.57 -0.08 0.02 0.00 0.00 177.57 179.12 2kj6 h GLU 40 N 0.30 0.89 -0.01 1.57 4.81 -1.28 0.16 114.58 121.01 2kj6 h GLU 40 Ca 0.03 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 2kj6 h GLU 40 Cb 0.79 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.98 2kj6 h GLU 40 CO 0.06 0.59 -0.59 0.00 -0.73 0.00 0.00 179.01 178.34 2kj6 h ALA 41 N 1.51 0.08 0.00 2.92 0.00 -1.75 -3.30 119.26 118.72 2kj6 h ALA 41 Ca 0.46 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2kj6 h ALA 41 Cb 0.44 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2kj6 h ALA 41 CO -0.26 0.35 -0.30 -0.24 0.00 0.00 0.00 179.25 178.80 2kj6 h VAL 42 N -0.09 0.81 -0.93 0.00 3.04 -0.79 -2.62 116.25 115.67 2kj6 h VAL 42 Ca -0.07 -1.22 0.02 0.00 -1.01 0.00 0.00 66.70 64.42 2kj6 h VAL 42 Cb 1.30 1.75 -0.05 0.00 -2.01 0.00 0.00 31.29 32.28 2kj6 h VAL 42 CO 0.12 0.29 0.61 0.11 -1.01 0.00 0.00 177.57 177.69 2kj6 h LYS 43 N 0.00 1.18 -0.49 4.17 1.57 -0.78 0.22 116.57 122.44 2kj6 h LYS 43 Ca -0.00 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 2kj6 h LYS 43 Cb 0.73 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2kj6 h LYS 43 CO 0.04 0.78 -0.09 1.49 -0.57 0.00 0.00 179.45 181.10 2kj6 h GLU 44 N 1.22 0.93 -0.12 3.15 4.57 -1.58 -0.98 114.58 121.76 2kj6 h GLU 44 Ca 0.35 -0.34 -0.09 0.00 -1.18 0.00 0.00 59.36 58.10 2kj6 h GLU 44 Cb -0.08 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 2kj6 h GLU 44 CO -0.09 1.00 -0.27 -0.22 -1.18 0.00 0.00 179.01 178.25 2kj6 h LYS 45 N 0.78 0.39 0.00 1.92 3.64 -1.36 -3.16 116.57 118.78 2kj6 h LYS 45 Ca 0.13 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 2kj6 h LYS 45 Cb 0.64 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 2kj6 h LYS 45 CO 0.04 0.87 -0.25 -0.07 -2.27 0.00 0.00 179.45 177.78 2kj6 h LEU 46 N -0.03 0.00 0.16 5.20 3.38 -0.61 -3.05 115.31 120.37 2kj6 h LEU 46 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kj6 h LEU 46 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2kj6 h LEU 46 CO 0.06 0.25 -0.14 -0.25 0.09 0.00 0.00 178.44 178.45 2kj6 h TRP 47 N 0.00 -0.35 0.00 1.13 7.01 -1.14 -0.80 115.95 121.80 2kj6 h TRP 47 Ca -0.00 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 60.94 2kj6 h TRP 47 Cb 0.85 0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 28.04 2kj6 h TRP 47 CO 0.00 -0.21 -0.29 0.87 -2.79 0.00 0.00 178.44 176.02 2kj6 h LYS 48 N -0.31 0.00 -0.41 2.65 1.57 -1.59 0.24 116.57 118.71 2kj6 h LYS 48 Ca -0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 2kj6 h LYS 48 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2kj6 h LYS 48 CO -0.02 0.29 -0.20 -0.22 -0.57 0.00 0.00 179.45 178.72 2kj6 h LYS 49 N 0.00 0.81 0.09 3.15 1.63 -1.31 -3.27 116.57 117.66 2kj6 h LYS 49 Ca -0.00 -0.32 -0.34 0.00 -0.85 0.00 0.00 60.65 59.13 2kj6 h LYS 49 Cb 0.70 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.26 2kj6 h LYS 49 CO 0.04 0.95 -1.91 0.00 -3.45 0.00 0.00 179.45 175.07 2kj6 n GLY 51 N 1.86 0.50 3.51 0.00 0.00 0.82 -5.00 105.19 106.88 2kj6 n GLY 51 Ca -0.27 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.99 0.03 0.31 2.61 2.01 -1.24 -5.06 115.64 112.30 2kj6 s THR 52 Ca 0.00 -1.08 -0.30 0.00 0.31 0.00 0.00 61.69 60.63 2kj6 s THR 52 Cb 0.00 -1.80 -0.11 0.00 0.01 0.00 0.00 72.50 70.59 2kj6 s THR 52 CO 0.00 -0.13 1.58 -0.44 -0.69 0.00 0.00 174.62 174.94 2kj6 s SER 53 N -2.93 6.36 -0.11 3.53 0.01 -1.26 -4.80 113.70 114.50 2kj6 s SER 53 Ca 0.14 2.97 0.03 0.00 1.31 0.00 0.00 55.95 60.40 2kj6 s SER 53 Cb -0.00 -2.64 0.23 0.00 0.21 0.00 0.00 66.02 63.82 2kj6 s SER 53 CO 0.01 -0.91 1.09 1.33 0.41 0.00 0.00 173.24 175.16 2kj6 n VAL 54 N 1.93 1.27 -0.22 3.43 0.24 -1.26 -4.31 118.33 119.42 2kj6 n VAL 54 Ca 0.07 -0.52 -0.08 0.00 -2.04 0.00 0.00 64.34 61.77 2kj6 n VAL 54 Cb 0.38 -0.63 0.03 0.00 -1.47 0.00 0.00 33.84 32.14 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 0.79 0.92 1.36 -1.34 -1.24 -2.03 -2.58 115.58 111.46 2kj6 h ASN 55 Ca 0.10 -0.23 -0.00 0.00 0.71 0.00 0.00 56.30 56.87 2kj6 h ASN 55 Cb 1.27 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 40.08 2kj6 h ASN 55 CO 0.25 0.92 -0.00 0.28 -1.29 0.00 0.00 177.43 177.59 2kj6 h SER 56 N 0.89 0.00 -2.59 1.15 0.02 -1.94 -3.39 113.55 107.69 2kj6 h SER 56 Ca 0.19 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.44 2kj6 h SER 56 Cb 0.36 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.71 2kj6 h SER 56 CO 0.00 0.00 0.70 -0.32 -1.14 0.00 0.00 176.83 176.08 2kj6 s MET 57 N -3.51 3.54 -0.00 3.45 -2.45 -0.97 -4.78 119.30 114.57 2kj6 s MET 57 Ca 0.03 -1.74 -0.05 0.00 -1.25 0.00 0.00 55.69 52.68 2kj6 s MET 57 Cb 0.08 -4.79 -0.04 0.00 1.25 0.00 0.00 34.83 31.33 2kj6 s MET 57 CO 0.59 -1.72 0.23 0.00 1.05 0.00 0.00 175.02 175.17 2kj6 s ALA 58 N 2.53 3.89 -0.40 4.11 0.00 -1.26 -4.95 121.76 125.69 2kj6 s ALA 58 Ca 0.29 -0.65 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 2kj6 s ALA 58 Cb -0.07 -1.99 0.04 0.00 0.00 0.00 0.00 23.12 21.10 2kj6 s ALA 58 CO -0.07 0.69 0.25 -0.51 0.00 0.00 0.00 175.76 176.12 2kj6 s LEU 59 N -1.81 4.96 -0.51 0.00 1.43 -1.26 -0.93 118.68 120.57 2kj6 s LEU 59 Ca 0.27 -1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 51.99 2kj6 s LEU 59 Cb -0.13 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.06 2kj6 s LEU 59 CO 0.17 -0.45 1.14 -1.61 0.23 0.00 0.00 176.35 175.82 2kj6 s GLU 60 N 1.56 3.65 -0.61 1.70 0.41 0.57 -4.82 118.70 121.16 2kj6 s GLU 60 Ca 0.03 0.45 -0.20 0.00 -0.41 0.00 0.00 54.97 54.83 2kj6 s GLU 60 Cb -0.20 -3.94 0.09 0.00 -1.78 0.00 0.00 34.13 28.29 2kj6 s GLU 60 CO 0.07 -1.46 0.81 -1.17 -0.49 0.00 0.00 175.26 173.02 2kj6 s LEU 61 N 4.55 4.95 0.12 1.80 2.96 -1.26 -0.55 118.68 131.26 2kj6 s LEU 61 Ca 0.46 -1.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.16 2kj6 s LEU 61 Cb -0.07 -2.37 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 2kj6 s LEU 61 CO 0.30 -1.24 0.28 -0.31 -1.32 0.00 0.00 176.35 174.07 2kj6 s TYR 62 N 3.25 3.50 0.14 5.38 2.02 -1.05 -1.06 117.35 129.53 2kj6 s TYR 62 Ca 0.16 0.25 0.01 0.00 -0.37 0.00 0.00 57.07 57.12 2kj6 s TYR 62 Cb -0.21 -1.77 -0.00 0.00 -0.40 0.00 0.00 41.96 39.58 2kj6 s TYR 62 CO 0.08 0.51 0.03 -0.40 -1.57 0.00 0.00 175.55 174.20 2kj6 n ASP 63 N -0.17 1.64 -0.26 2.29 5.75 -1.19 -2.63 116.55 121.98 2kj6 n ASP 63 Ca -0.05 -1.70 0.04 0.00 -0.01 0.00 0.00 54.79 53.07 2kj6 n ASP 63 Cb 0.53 0.24 0.02 0.00 -1.03 0.00 0.00 41.12 40.87 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 -1.55 1.46 -0.11 -1.12 8.00 -1.26 -4.60 116.55 117.36 2kj6 n ASP 64 Ca -0.04 -1.23 -0.20 0.00 0.71 0.00 0.00 54.79 54.03 2kj6 n ASP 64 Cb 0.20 0.13 -0.09 0.00 -0.02 0.00 0.00 41.12 41.34 2kj6 n ASP 64 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2kj6 n SER 65 N 0.22 1.98 0.00 -2.24 2.88 -1.26 -4.98 113.62 110.22 2kj6 n SER 65 Ca 0.04 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2kj6 n SER 65 Cb 0.18 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 2kj6 n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kj6 n GLY 66 N 2.00 0.20 2.22 0.46 0.00 -1.26 -5.11 105.19 103.70 2kj6 n GLY 66 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.05 -3.97 1.61 7.64 -1.26 -4.95 113.62 108.64 2kj6 n SER 67 Ca 0.00 0.89 -0.29 0.00 1.01 0.00 0.00 58.87 60.48 2kj6 n SER 67 Cb 0.00 3.77 -0.17 0.00 -1.01 0.00 0.00 64.21 66.80 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 -1.96 1.99 -0.21 1.43 1.02 -1.26 -3.19 119.74 117.57 2kj6 s LYS 68 Ca 0.00 -0.44 0.14 0.00 0.02 0.00 0.00 55.97 55.69 2kj6 s LYS 68 Cb 0.00 -1.90 0.51 0.00 -0.52 0.00 0.00 37.83 35.92 2kj6 s LYS 68 CO 0.00 -0.25 1.42 1.33 -0.92 0.00 0.00 175.35 176.94 2kj6 n VAL 69 N 4.83 2.36 -2.23 3.17 0.24 -0.22 -4.95 118.33 121.53 2kj6 n VAL 69 Ca -0.15 -2.18 -0.35 0.00 -2.04 0.00 0.00 64.34 59.62 2kj6 n VAL 69 Cb 0.50 -0.28 -0.04 0.00 -1.47 0.00 0.00 33.84 32.55 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 -2.97 2.19 -0.03 2.33 0.00 -1.20 -4.81 121.76 117.26 2kj6 s ALA 70 Ca 0.42 -1.43 -0.25 0.00 0.00 0.00 0.00 51.96 50.71 2kj6 s ALA 70 Cb 0.36 -4.44 -0.19 0.00 0.00 0.00 0.00 23.12 18.85 2kj6 s ALA 70 CO 0.06 -4.08 1.17 0.28 0.00 0.00 0.00 175.76 173.18 2kj6 h VAL 71 N 6.87 1.16 -1.78 0.00 2.07 -1.94 -3.48 116.25 119.16 2kj6 h VAL 71 Ca -0.03 -1.07 -0.31 0.00 0.82 0.00 0.00 66.70 66.11 2kj6 h VAL 71 Cb 1.05 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 2kj6 h VAL 71 CO 1.27 0.25 -0.36 -0.11 0.02 0.00 0.00 177.57 178.64 2kj6 n LEU 72 N -4.91 -1.54 0.00 2.57 7.94 -1.26 -4.80 117.00 115.00 2kj6 n LEU 72 Ca -0.08 0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 2kj6 n LEU 72 Cb 0.26 -2.26 0.00 0.00 0.53 0.00 0.00 43.42 41.94 2kj6 n LEU 72 CO 0.31 -0.33 0.15 -0.24 -1.11 0.00 0.00 177.39 176.17 2kj6 n SER 73 N -0.79 0.59 -1.10 1.96 2.88 -1.26 -4.59 113.62 111.31 2kj6 n SER 73 Ca -0.17 -0.80 0.11 0.00 -1.33 0.00 0.00 58.87 56.67 2kj6 n SER 73 Cb 0.60 0.35 0.21 0.00 -0.75 0.00 0.00 64.21 64.62 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 -0.35 3.40 -0.21 -3.46 5.75 -1.26 -4.59 116.55 115.83 2kj6 n ASP 74 Ca 0.00 -1.97 -0.06 0.00 -0.01 0.00 0.00 54.79 52.75 2kj6 n ASP 74 Cb 0.01 -0.25 0.03 0.00 -1.03 0.00 0.00 41.12 39.88 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 4.20 0.70 -0.36 -1.12 2.03 -1.98 -2.06 116.42 117.84 2kj6 h ASP 75 Ca 0.00 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 2kj6 h ASP 75 Cb 0.95 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.27 2kj6 h ASP 75 CO 0.00 0.53 0.00 -1.20 -1.03 0.00 0.00 179.24 177.54 2kj6 n SER 76 N -4.64 2.52 -4.73 4.15 7.64 -1.26 -0.77 113.62 116.52 2kj6 n SER 76 Ca 0.04 -1.90 -0.30 0.00 1.01 0.00 0.00 58.87 57.72 2kj6 n SER 76 Cb 0.04 -0.24 -0.07 0.00 -1.01 0.00 0.00 64.21 62.93 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 -1.53 2.70 0.03 1.43 1.81 -0.77 -4.86 118.95 117.76 2kj6 s ARG 77 Ca 0.34 -0.80 -0.34 0.00 -1.72 0.00 0.00 55.73 53.21 2kj6 s ARG 77 Cb 0.19 -2.61 -0.12 0.00 -0.45 0.00 0.00 34.95 31.95 2kj6 s ARG 77 CO 0.26 0.54 1.77 -0.35 -0.68 0.00 0.00 175.30 176.84 2kj6 n PRO 78 N 0.38 2.24 -0.27 3.54 -0.04 -1.26 -4.60 135.00 134.98 2kj6 n PRO 78 Ca -0.10 0.82 0.03 0.00 -0.04 0.00 0.00 63.50 64.21 2kj6 n PRO 78 Cb 0.52 -2.64 0.25 0.00 -0.04 0.00 0.00 33.50 31.59 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 7.98 0.88 -0.39 1.53 5.85 -1.69 0.17 115.31 129.64 2kj6 h LEU 79 Ca -0.47 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2kj6 h LEU 79 Cb 1.26 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2kj6 h LEU 79 CO 0.93 0.59 0.00 0.61 -0.34 0.00 0.00 178.44 180.22 2kj6 n GLY 80 N -1.41 -1.17 0.10 3.75 0.00 0.17 -0.64 105.19 106.00 2kj6 n GLY 80 Ca 0.12 0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 2kj6 n GLY 80 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2kj6 h PHE 81 N 0.00 0.00 0.05 1.61 3.57 -0.92 -3.22 116.94 118.03 2kj6 h PHE 81 Ca 0.00 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.24 2kj6 h PHE 81 Cb 0.32 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 2kj6 h PHE 81 CO 0.00 0.73 -1.31 0.35 -2.23 0.00 0.00 178.31 175.86 2kj6 h PHE 82 N 0.00 0.20 -3.82 0.41 3.57 -1.13 -3.50 116.94 112.66 2kj6 h PHE 82 Ca -0.09 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.27 2kj6 h PHE 82 Cb 1.64 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 40.37 2kj6 h PHE 82 CO 0.00 1.15 -0.33 0.45 -2.23 0.00 0.00 178.31 177.35 2kj6 n SER 83 N -3.35 -4.29 -1.56 0.41 2.88 0.19 -5.10 113.62 102.81 2kj6 n SER 83 Ca -0.09 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 2kj6 n SER 83 Cb 1.00 -2.66 0.00 0.00 -0.75 0.00 0.00 64.21 61.80 2kj6 n SER 83 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2kj6 n PRO 84 N 0.08 1.37 -4.12 -1.46 -0.04 -1.26 -5.06 135.00 124.52 2kj6 n PRO 84 Ca 0.01 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.37 2kj6 n PRO 84 Cb 0.05 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.40 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 0.92 0.72 -2.03 0.54 0.08 -1.26 -5.03 117.98 111.92 2kj6 s PHE 85 Ca 0.00 -0.84 0.19 0.00 0.12 0.00 0.00 56.93 56.40 2kj6 s PHE 85 Cb 0.00 -0.44 1.11 0.00 -0.57 0.00 0.00 43.02 43.12 2kj6 s PHE 85 CO 0.00 -0.19 1.72 -0.40 -0.10 0.00 0.00 175.22 176.25 2kj6 n ASP 86 N 0.41 0.14 -0.20 1.36 5.75 -1.26 -3.07 116.55 119.68 2kj6 n ASP 86 Ca -0.15 -1.43 0.13 0.00 -0.01 0.00 0.00 54.79 53.33 2kj6 n ASP 86 Cb 0.59 -0.01 0.35 0.00 -1.03 0.00 0.00 41.12 41.02 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 0.83 -0.74 3.88 6.12 0.00 -1.26 -4.73 105.19 109.29 2kj6 n GLY 87 Ca 0.15 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.60 3.45 -0.07 1.61 0.08 -1.17 -4.82 117.98 114.46 2kj6 s PHE 88 Ca 0.22 0.99 0.04 0.00 0.12 0.00 0.00 56.93 58.30 2kj6 s PHE 88 Cb 0.19 -2.39 -0.00 0.00 -0.57 0.00 0.00 43.02 40.25 2kj6 s PHE 88 CO 0.56 -0.01 -0.21 1.03 -0.10 0.00 0.00 175.22 176.49 2kj6 s ARG 89 N -3.62 2.43 -0.70 0.44 0.52 -1.08 -3.57 118.95 113.37 2kj6 s ARG 89 Ca 0.50 -0.76 -0.18 0.00 -0.52 0.00 0.00 55.73 54.78 2kj6 s ARG 89 Cb -0.10 -1.96 0.13 0.00 0.52 0.00 0.00 34.95 33.54 2kj6 s ARG 89 CO 0.29 0.22 0.79 -0.51 0.02 0.00 0.00 175.30 176.10 2kj6 s LEU 90 N 0.19 5.63 -0.72 2.53 1.43 0.23 -2.53 118.68 125.44 2kj6 s LEU 90 Ca -0.11 -1.81 -0.20 0.00 -1.03 0.00 0.00 54.13 50.98 2kj6 s LEU 90 Cb -0.15 -2.30 0.10 0.00 0.03 0.00 0.00 46.19 43.87 2kj6 s LEU 90 CO 0.05 -0.99 0.93 -2.28 0.23 0.00 0.00 176.35 174.29 2kj6 s HIS 91 N 2.15 2.92 0.04 0.29 2.46 0.29 -0.48 115.29 122.96 2kj6 s HIS 91 Ca 0.16 -0.94 -0.30 0.00 0.47 0.00 0.00 55.06 54.45 2kj6 s HIS 91 Cb -0.18 -4.20 -0.08 0.00 -0.13 0.00 0.00 32.58 28.00 2kj6 s HIS 91 CO 0.00 -1.49 1.63 0.42 -2.47 0.00 0.00 174.74 172.84 2kj6 s ILE 92 N 3.19 3.20 -0.31 0.89 1.01 0.14 -0.32 121.20 129.01 2kj6 s ILE 92 Ca 0.22 0.58 -0.29 0.00 0.00 0.00 0.00 60.65 61.15 2kj6 s ILE 92 Cb -0.16 -3.37 0.02 0.00 0.01 0.00 0.00 42.46 38.96 2kj6 s ILE 92 CO 0.03 -0.01 1.07 -0.63 0.00 0.00 0.00 174.94 175.40 2kj6 s ILE 93 N 2.90 4.54 -0.43 2.92 -1.09 -0.10 -1.38 121.20 128.55 2kj6 s ILE 93 Ca 0.73 1.77 -0.23 0.00 -2.23 0.00 0.00 60.65 60.70 2kj6 s ILE 93 Cb -0.38 -4.40 0.02 0.00 -1.58 0.00 0.00 42.46 36.12 2kj6 s ILE 93 CO 0.31 -0.44 0.76 -1.81 -1.23 0.00 0.00 174.94 172.53 2kj6 s ASP 94 N 1.59 6.42 0.00 3.58 1.01 -1.26 -4.44 116.67 123.57 2kj6 s ASP 94 Ca 0.45 -0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.64 2kj6 s ASP 94 Cb -0.13 -2.37 0.00 0.00 1.01 0.00 0.00 42.92 41.43 2kj6 s ASP 94 CO 0.14 -0.85 0.00 0.18 0.21 0.00 0.00 175.17 174.85 2kj6 n LEU 95 N 6.57 0.00 -3.65 1.23 4.77 -1.26 -4.95 117.00 119.71 2kj6 n LEU 95 Ca 0.02 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.94 2kj6 n LEU 95 Cb 0.48 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 2kj6 n LEU 95 CO 0.57 0.00 0.12 1.51 -1.33 0.00 0.00 177.39 178.26 2kj6 s ASP 96 N 1.00 -0.63 0.00 -1.43 -4.77 -1.26 -5.23 116.67 104.35 2kj6 s ASP 96 Ca 0.00 1.23 0.27 0.00 -3.30 0.00 0.00 52.55 50.76 2kj6 s ASP 96 Cb 0.00 1.73 0.94 0.00 -1.09 0.00 0.00 42.92 44.50 2kj6 s ASP 96 CO 0.00 -0.23 1.68 -0.81 0.70 0.00 0.00 175.17 176.51