#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 5.44 3.58 3.03 0.00 -1.26 -5.02 105.19 110.96 2kj6 n GLY 2 Ca 0.00 -2.70 -0.42 0.00 0.00 0.00 0.00 46.02 42.90 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 -3.27 2.20 -0.31 1.61 5.04 -1.26 -4.95 115.29 114.35 2kj6 s HIS 3 Ca 0.40 0.53 0.02 0.00 -1.54 0.00 0.00 55.06 54.47 2kj6 s HIS 3 Cb 0.16 -4.34 0.09 0.00 0.04 0.00 0.00 32.58 28.54 2kj6 s HIS 3 CO -0.04 -2.08 0.03 -3.38 -2.34 0.00 0.00 174.74 166.93 2kj6 s HIS 4 N 6.33 3.06 -0.47 3.88 0.00 -1.26 -4.99 115.29 121.85 2kj6 s HIS 4 Ca 0.57 -2.47 0.07 0.00 -3.00 0.00 0.00 55.06 50.22 2kj6 s HIS 4 Cb -0.12 -2.36 0.24 0.00 -4.00 0.00 0.00 32.58 26.34 2kj6 s HIS 4 CO 0.26 -0.90 0.78 1.58 -1.00 0.00 0.00 174.74 175.46 2kj6 n HIS 5 N 4.46 -2.62 -3.78 0.38 -0.00 -1.26 -5.12 115.22 107.29 2kj6 n HIS 5 Ca -0.02 -2.20 -0.13 0.00 -0.00 0.00 0.00 57.72 55.38 2kj6 n HIS 5 Cb 0.42 1.08 -0.14 0.00 -0.00 0.00 0.00 29.99 31.35 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 0.24 -0.15 0.17 1.57 2.46 -1.26 -5.16 115.29 113.16 2kj6 s HIS 6 Ca 0.33 0.42 0.04 0.00 0.47 0.00 0.00 55.06 56.31 2kj6 s HIS 6 Cb 0.20 -0.04 -0.05 0.00 -0.13 0.00 0.00 32.58 32.57 2kj6 s HIS 6 CO -0.21 -0.13 -0.05 -1.01 -2.47 0.00 0.00 174.74 170.87 2kj6 s HIS 7 N 0.76 1.31 -0.23 3.88 3.76 -1.26 -5.06 115.29 118.44 2kj6 s HIS 7 Ca -0.06 -0.86 -0.18 0.00 -0.15 0.00 0.00 55.06 53.81 2kj6 s HIS 7 Cb -0.08 -0.71 -0.15 0.00 1.11 0.00 0.00 32.58 32.75 2kj6 s HIS 7 CO -0.04 -0.02 -0.04 0.72 -0.85 0.00 0.00 174.74 174.52 2kj6 n HIS 8 N -0.25 0.62 -1.93 1.40 -0.00 -1.26 -5.11 115.22 108.69 2kj6 n HIS 8 Ca -0.08 0.27 0.00 0.00 -0.00 0.00 0.00 57.72 57.91 2kj6 n HIS 8 Cb 0.62 -1.01 0.00 0.00 -0.00 0.00 0.00 29.99 29.60 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 -4.39 -7.99 -4.56 0.41 7.64 -1.26 -4.76 113.62 98.71 2kj6 n SER 9 Ca -0.37 1.31 -0.34 0.00 1.01 0.00 0.00 58.87 60.48 2kj6 n SER 9 Cb 0.71 -4.43 -0.04 0.00 -1.01 0.00 0.00 64.21 59.44 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 -0.46 1.95 -0.44 1.43 3.76 -1.26 -4.91 115.29 115.36 2kj6 s HIS 10 Ca 0.00 0.32 -0.27 0.00 -0.15 0.00 0.00 55.06 54.96 2kj6 s HIS 10 Cb 0.00 -4.24 -0.03 0.00 1.11 0.00 0.00 32.58 29.43 2kj6 s HIS 10 CO 0.00 -1.95 1.92 0.20 -0.85 0.00 0.00 174.74 174.06 2kj6 s GLY 11 N 7.05 0.41 -0.21 -2.22 0.00 -1.26 -4.76 107.32 106.33 2kj6 s GLY 11 Ca 0.61 -0.07 0.09 0.00 0.00 0.00 0.00 44.72 45.35 2kj6 s GLY 11 CO 0.04 3.46 -0.08 1.34 0.00 0.00 0.00 173.10 177.87 2kj6 n ASP 12 N 11.96 1.38 -3.31 1.64 2.03 -1.26 -4.85 116.55 124.14 2kj6 n ASP 12 Ca 0.24 -0.07 -0.17 0.00 0.52 0.00 0.00 54.79 55.32 2kj6 n ASP 12 Cb 0.50 0.26 -0.07 0.00 -0.72 0.00 0.00 41.12 41.09 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 -5.78 0.89 -0.29 1.67 -4.77 -1.26 -5.12 116.67 102.01 2kj6 s ASP 13 Ca -0.21 -1.79 -0.19 0.00 -3.30 0.00 0.00 52.55 47.06 2kj6 s ASP 13 Cb 0.07 0.59 0.14 0.00 -1.09 0.00 0.00 42.92 42.63 2kj6 s ASP 13 CO 0.64 -0.22 1.02 -0.94 0.70 0.00 0.00 175.17 176.37 2kj6 s SER 14 N 1.19 -0.46 -0.06 2.11 1.04 -1.26 -4.98 113.70 111.28 2kj6 s SER 14 Ca 0.20 0.77 0.05 0.00 0.48 0.00 0.00 55.95 57.46 2kj6 s SER 14 Cb -0.11 1.06 -0.01 0.00 0.10 0.00 0.00 66.02 67.06 2kj6 s SER 14 CO -0.05 -0.12 -0.23 0.68 0.98 0.00 0.00 173.24 174.50 2kj6 s VAL 15 N 0.98 1.91 -0.53 5.02 -7.23 -1.23 -4.98 120.40 114.35 2kj6 s VAL 15 Ca -0.05 -0.98 -0.25 0.00 -1.81 0.00 0.00 61.98 58.89 2kj6 s VAL 15 Cb -0.04 -1.63 0.04 0.00 0.56 0.00 0.00 36.38 35.31 2kj6 s VAL 15 CO -0.13 0.53 0.95 -1.00 -0.31 0.00 0.00 175.10 175.15 2kj6 s HIS 16 N -0.03 2.82 -0.67 2.82 3.76 -1.26 -1.42 115.29 121.32 2kj6 s HIS 16 Ca -0.06 0.13 -0.23 0.00 -0.15 0.00 0.00 55.06 54.74 2kj6 s HIS 16 Cb -0.14 -4.06 0.07 0.00 1.11 0.00 0.00 32.58 29.55 2kj6 s HIS 16 CO 0.04 -1.29 1.00 -0.51 -0.85 0.00 0.00 174.74 173.13 2kj6 s LEU 17 N 3.94 4.25 -0.67 0.89 1.43 -0.81 -4.61 118.68 123.11 2kj6 s LEU 17 Ca 0.33 -0.93 -0.27 0.00 -1.03 0.00 0.00 54.13 52.23 2kj6 s LEU 17 Cb -0.11 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.68 2kj6 s LEU 17 CO 0.22 -1.48 1.46 -1.00 0.23 0.00 0.00 176.35 175.77 2kj6 s HIS 18 N 4.25 2.12 0.04 0.29 3.76 -1.17 -3.67 115.29 120.91 2kj6 s HIS 18 Ca 0.24 0.28 -0.22 0.00 -0.15 0.00 0.00 55.06 55.20 2kj6 s HIS 18 Cb -0.16 -4.44 -0.06 0.00 1.11 0.00 0.00 32.58 29.03 2kj6 s HIS 18 CO 0.11 -2.11 0.67 0.42 -0.85 0.00 0.00 174.74 172.97 2kj6 s ILE 19 N 6.67 4.76 -0.00 0.60 1.01 -1.26 0.29 121.20 133.26 2kj6 s ILE 19 Ca 0.47 1.42 -0.01 0.00 0.00 0.00 0.00 60.65 62.54 2kj6 s ILE 19 Cb -0.10 -4.01 -0.00 0.00 0.01 0.00 0.00 42.46 38.36 2kj6 s ILE 19 CO 0.19 0.43 0.01 -0.89 0.00 0.00 0.00 174.94 174.68 2kj6 s THR 20 N -0.40 0.03 0.22 2.92 2.01 -0.03 -4.56 115.64 115.82 2kj6 s THR 20 Ca 0.34 -0.21 -0.06 0.00 0.31 0.00 0.00 61.69 62.07 2kj6 s THR 20 Cb -0.20 -0.09 -0.06 0.00 0.01 0.00 0.00 72.50 72.16 2kj6 s THR 20 CO 0.20 -0.12 0.49 -2.28 -0.69 0.00 0.00 174.62 172.23 2kj6 s HIS 21 N -0.34 3.46 -0.05 4.92 2.46 -1.21 -0.10 115.29 124.44 2kj6 s HIS 21 Ca -0.04 0.67 -0.22 0.00 0.47 0.00 0.00 55.06 55.95 2kj6 s HIS 21 Cb -0.02 -2.11 -0.16 0.00 -0.13 0.00 0.00 32.58 30.15 2kj6 s HIS 21 CO -0.00 0.29 0.94 0.00 -2.47 0.00 0.00 174.74 173.50 2kj6 h ALA 22 N 2.31 -0.21 0.00 1.58 0.00 -1.34 -3.26 119.26 118.33 2kj6 h ALA 22 Ca -0.47 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2kj6 h ALA 22 Cb 1.18 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2kj6 h ALA 22 CO 0.69 -0.32 0.00 -1.71 0.00 0.00 0.00 179.25 177.92 2kj6 n ASN 23 N -4.93 0.78 -4.01 0.00 2.85 -1.26 -4.39 115.26 104.30 2kj6 n ASN 23 Ca -0.08 0.62 -0.31 0.00 -0.11 0.00 0.00 54.58 54.70 2kj6 n ASN 23 Cb 0.27 -0.81 -0.15 0.00 1.24 0.00 0.00 39.78 40.32 2kj6 n ASN 23 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2kj6 s LEU 24 N -4.57 4.59 0.09 1.20 2.96 -1.23 -4.98 118.68 116.74 2kj6 s LEU 24 Ca 0.08 -2.10 -0.17 0.00 -0.22 0.00 0.00 54.13 51.71 2kj6 s LEU 24 Cb 0.11 -1.59 -0.08 0.00 0.50 0.00 0.00 46.19 45.13 2kj6 s LEU 24 CO 0.51 -0.37 1.48 0.50 -1.32 0.00 0.00 176.35 177.14 2kj6 h LYS 25 N 7.64 0.54 -5.37 1.98 1.63 -1.77 -3.20 116.57 118.02 2kj6 h LYS 25 Ca -0.05 -0.21 -0.66 0.00 -0.85 0.00 0.00 60.65 58.88 2kj6 h LYS 25 Cb 1.02 -0.03 -0.15 0.00 -0.60 0.00 0.00 32.23 32.47 2kj6 h LYS 25 CO 0.51 0.75 1.01 0.45 -3.45 0.00 0.00 179.45 178.72 2kj6 s SER 26 N -6.15 6.56 -0.35 4.20 0.15 -1.26 -4.82 113.70 112.02 2kj6 s SER 26 Ca -0.13 -1.79 -0.00 0.00 0.70 0.00 0.00 55.95 54.72 2kj6 s SER 26 Cb 0.08 -2.45 0.12 0.00 -1.71 0.00 0.00 66.02 62.06 2kj6 s SER 26 CO 0.77 -1.22 0.16 0.12 1.20 0.00 0.00 173.24 174.27 2kj6 s PHE 27 N 3.45 1.46 -0.86 3.44 5.36 -1.26 -5.03 117.98 124.54 2kj6 s PHE 27 Ca 0.36 -1.82 -0.10 0.00 -0.96 0.00 0.00 56.93 54.41 2kj6 s PHE 27 Cb -0.04 -1.54 0.22 0.00 -0.34 0.00 0.00 43.02 41.32 2kj6 s PHE 27 CO -0.08 -0.84 0.79 -1.12 -1.46 0.00 0.00 175.22 172.51 2kj6 s SER 28 N 1.21 6.53 -0.07 6.13 0.01 -1.26 -4.68 113.70 121.57 2kj6 s SER 28 Ca 0.13 -3.04 0.14 0.00 1.31 0.00 0.00 55.95 54.50 2kj6 s SER 28 Cb -0.20 -2.11 0.27 0.00 0.21 0.00 0.00 66.02 64.19 2kj6 s SER 28 CO -0.15 -0.43 1.14 0.00 0.41 0.00 0.00 173.24 174.21 2kj6 n ALA 29 N 3.42 2.99 -1.77 1.44 0.00 -1.26 -5.12 120.51 120.21 2kj6 n ALA 29 Ca 0.16 -1.60 -0.32 0.00 0.00 0.00 0.00 53.44 51.67 2kj6 n ALA 29 Cb 0.43 -0.61 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 2kj6 n ALA 29 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2kj6 s ASP 30 N -1.72 6.21 0.07 0.00 -4.77 -1.26 -4.82 116.67 110.38 2kj6 s ASP 30 Ca 0.17 1.63 0.01 0.00 -3.30 0.00 0.00 52.55 51.06 2kj6 s ASP 30 Cb 0.24 -2.51 -0.04 0.00 -1.09 0.00 0.00 42.92 39.52 2kj6 s ASP 30 CO -0.09 -0.87 -0.05 0.00 0.70 0.00 0.00 175.17 174.86 2kj6 s ALA 31 N -2.69 0.73 -0.47 2.11 0.00 -1.24 -4.98 121.76 115.22 2kj6 s ALA 31 Ca 0.60 -1.22 -0.22 0.00 0.00 0.00 0.00 51.96 51.11 2kj6 s ALA 31 Cb -0.12 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.22 2kj6 s ALA 31 CO 0.38 -0.27 0.75 -0.98 0.00 0.00 0.00 175.76 175.65 2kj6 s ARG 32 N -3.60 3.32 0.28 0.00 1.70 -1.26 -1.92 118.95 117.48 2kj6 s ARG 32 Ca 0.07 -0.31 0.04 0.00 -0.47 0.00 0.00 55.73 55.06 2kj6 s ARG 32 Cb 0.05 -3.98 -0.03 0.00 -0.57 0.00 0.00 34.95 30.41 2kj6 s ARG 32 CO -0.06 -1.17 0.43 -0.06 -1.08 0.00 0.00 175.30 173.36 2kj6 s PHE 33 N 3.19 3.44 -0.27 5.89 0.08 -0.50 -4.80 117.98 125.01 2kj6 s PHE 33 Ca 0.26 0.08 -0.28 0.00 0.12 0.00 0.00 56.93 57.11 2kj6 s PHE 33 Cb -0.14 -1.71 0.01 0.00 -0.57 0.00 0.00 43.02 40.61 2kj6 s PHE 33 CO 0.20 0.30 1.01 -1.12 -0.10 0.00 0.00 175.22 175.50 2kj6 s SER 34 N -4.01 6.97 0.65 1.36 0.01 -1.26 -3.51 113.70 113.91 2kj6 s SER 34 Ca 0.37 1.17 0.44 0.00 1.31 0.00 0.00 55.95 59.23 2kj6 s SER 34 Cb -0.09 -2.52 2.32 0.00 0.21 0.00 0.00 66.02 65.94 2kj6 s SER 34 CO 0.31 -0.72 2.33 1.55 0.41 0.00 0.00 173.24 177.13 2kj6 h PRO 35 N 7.75 0.00 0.00 12.44 0.13 -1.94 -2.52 132.00 147.86 2kj6 h PRO 35 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2kj6 h PRO 35 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2kj6 h PRO 35 CO 0.98 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.79 2kj6 n GLN 36 N -3.08 0.57 -3.70 0.86 6.02 -1.26 0.65 117.38 117.44 2kj6 n GLN 36 Ca -0.03 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.60 2kj6 n GLN 36 Cb 0.10 -1.41 -0.07 0.00 1.02 0.00 0.00 30.24 29.89 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 -2.00 3.91 0.40 -1.09 1.75 -0.95 -4.75 119.30 116.57 2kj6 s MET 37 Ca 0.22 -0.01 -0.16 0.00 -1.25 0.00 0.00 55.69 54.49 2kj6 s MET 37 Cb 0.10 -3.31 -0.09 0.00 2.84 0.00 0.00 34.83 34.37 2kj6 s MET 37 CO 0.17 0.51 0.85 -1.54 -0.65 0.00 0.00 175.02 174.35 2kj6 s SER 38 N -0.30 6.75 0.36 1.11 1.04 -1.26 -3.39 113.70 118.01 2kj6 s SER 38 Ca 0.15 1.42 0.14 0.00 0.48 0.00 0.00 55.95 58.14 2kj6 s SER 38 Cb -0.13 -2.44 0.70 0.00 0.10 0.00 0.00 66.02 64.26 2kj6 s SER 38 CO 0.04 -0.35 1.79 0.58 0.98 0.00 0.00 173.24 176.28 2kj6 h VAL 39 N 1.61 1.20 -0.81 5.02 2.07 -1.27 -2.39 116.25 121.67 2kj6 h VAL 39 Ca -0.48 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 65.59 2kj6 h VAL 39 Cb 1.18 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 32.70 2kj6 h VAL 39 CO 0.63 0.39 0.38 -0.08 0.02 0.00 0.00 177.57 178.92 2kj6 h GLU 40 N 0.00 1.18 -0.54 1.57 4.81 -1.14 -2.05 114.58 118.40 2kj6 h GLU 40 Ca -0.00 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 58.99 2kj6 h GLU 40 Cb 0.75 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 2kj6 h GLU 40 CO 0.05 0.92 0.09 0.00 -0.73 0.00 0.00 179.01 179.34 2kj6 h ALA 41 N 1.20 1.15 -0.00 2.92 0.00 -1.72 -1.74 119.26 121.07 2kj6 h ALA 41 Ca 0.28 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2kj6 h ALA 41 Cb 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2kj6 h ALA 41 CO -0.03 0.57 -0.77 -0.24 0.00 0.00 0.00 179.25 178.77 2kj6 h VAL 42 N 0.81 1.53 0.13 0.00 3.04 -1.31 -0.09 116.25 120.35 2kj6 h VAL 42 Ca 0.17 -2.56 -0.01 0.00 -1.01 0.00 0.00 66.70 63.29 2kj6 h VAL 42 Cb 0.36 2.39 0.00 0.00 -2.01 0.00 0.00 31.29 32.03 2kj6 h VAL 42 CO 0.01 0.74 -0.06 0.11 -1.01 0.00 0.00 177.57 177.35 2kj6 h LYS 43 N 0.03 -0.17 -0.50 4.17 1.57 -1.00 -1.16 116.57 119.51 2kj6 h LYS 43 Ca -0.01 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2kj6 h LYS 43 Cb 1.35 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.66 2kj6 h LYS 43 CO 0.10 -0.06 0.25 1.49 -0.57 0.00 0.00 179.45 180.67 2kj6 h GLU 44 N -0.23 0.47 -0.61 3.15 4.81 -1.22 0.12 114.58 121.07 2kj6 h GLU 44 Ca -0.02 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2kj6 h GLU 44 Cb 0.19 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2kj6 h GLU 44 CO 0.03 0.31 0.21 -0.22 -0.73 0.00 0.00 179.01 178.62 2kj6 h LYS 45 N 0.49 0.91 -0.01 1.92 3.64 -0.82 0.22 116.57 122.92 2kj6 h LYS 45 Ca 0.22 -0.16 -0.24 0.00 -1.27 0.00 0.00 60.65 59.20 2kj6 h LYS 45 Cb 0.14 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.82 2kj6 h LYS 45 CO -0.16 0.77 -0.96 -0.07 -2.27 0.00 0.00 179.45 176.76 2kj6 h LEU 46 N 0.89 0.68 -0.65 5.20 3.38 -0.88 -3.16 115.31 120.77 2kj6 h LEU 46 Ca 0.20 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2kj6 h LEU 46 Cb 0.22 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2kj6 h LEU 46 CO -0.01 1.33 0.41 -0.25 0.09 0.00 0.00 178.44 180.01 2kj6 h TRP 47 N 0.31 0.84 0.00 1.13 7.01 -0.09 -1.44 115.95 123.71 2kj6 h TRP 47 Ca -0.09 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.91 2kj6 h TRP 47 Cb 1.60 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 28.38 2kj6 h TRP 47 CO 0.08 0.55 0.00 0.87 -2.79 0.00 0.00 178.44 177.15 2kj6 h LYS 48 N 0.88 0.00 0.00 2.65 1.57 -0.60 0.27 116.57 121.34 2kj6 h LYS 48 Ca 0.24 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.89 2kj6 h LYS 48 Cb -0.06 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2kj6 h LYS 48 CO -0.05 0.00 -0.77 -0.22 -0.57 0.00 0.00 179.45 177.84 2kj6 h LYS 49 N 0.00 0.00 0.00 3.15 3.64 -1.25 -3.43 116.57 118.68 2kj6 h LYS 49 Ca 0.00 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 58.99 2kj6 h LYS 49 Cb 0.10 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.86 2kj6 h LYS 49 CO 0.00 0.80 -2.46 0.00 -2.27 0.00 0.00 179.45 175.52 2kj6 n GLY 51 N 2.22 0.75 3.76 0.00 0.00 0.94 -5.06 105.19 107.80 2kj6 n GLY 51 Ca -0.45 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.00 4.99 0.21 2.61 2.01 -1.26 -5.02 115.64 117.18 2kj6 s THR 52 Ca 0.00 1.12 -0.32 0.00 0.31 0.00 0.00 61.69 62.80 2kj6 s THR 52 Cb 0.00 -3.87 -0.14 0.00 0.01 0.00 0.00 72.50 68.50 2kj6 s THR 52 CO 0.00 0.42 1.39 -1.20 -0.69 0.00 0.00 174.62 174.54 2kj6 n SER 53 N 2.81 2.52 0.17 3.53 7.64 -1.26 -4.77 113.62 124.27 2kj6 n SER 53 Ca -0.08 1.13 0.13 0.00 1.01 0.00 0.00 58.87 61.07 2kj6 n SER 53 Cb 0.51 -1.38 0.56 0.00 -1.01 0.00 0.00 64.21 62.89 2kj6 n SER 53 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2kj6 h VAL 54 N 3.10 0.00 0.00 0.44 -1.51 -1.95 -0.87 116.25 115.46 2kj6 h VAL 54 Ca -0.45 -0.28 -0.18 0.00 -1.23 0.00 0.00 66.70 64.56 2kj6 h VAL 54 Cb 1.29 1.07 -0.03 0.00 -2.13 0.00 0.00 31.29 31.49 2kj6 h VAL 54 CO 0.77 0.00 -0.94 -1.13 -1.23 0.00 0.00 177.57 175.04 2kj6 h ASN 55 N 0.00 0.00 1.10 4.19 -1.24 -2.01 -3.20 115.58 114.42 2kj6 h ASN 55 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 2kj6 h ASN 55 Cb 0.37 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.41 2kj6 h ASN 55 CO 0.00 0.83 -0.45 0.28 -1.29 0.00 0.00 177.43 176.80 2kj6 h SER 56 N 0.00 0.00 -1.51 1.15 0.02 -1.49 -3.31 113.55 108.40 2kj6 h SER 56 Ca -0.04 0.00 -0.76 0.00 -0.84 0.00 0.00 61.79 60.15 2kj6 h SER 56 Cb 1.67 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 64.05 2kj6 h SER 56 CO 0.10 0.45 1.92 0.80 -1.14 0.00 0.00 176.83 178.95 2kj6 n MET 57 N -3.40 3.61 -2.83 3.45 0.00 -0.88 -3.98 117.12 113.09 2kj6 n MET 57 Ca 0.01 -3.59 -0.42 0.00 -0.00 0.00 0.00 57.70 53.70 2kj6 n MET 57 Cb 0.61 -2.93 -0.04 0.00 0.00 0.00 0.00 33.22 30.86 2kj6 n MET 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kj6 s ALA 58 N 0.48 3.45 -0.49 -5.12 0.00 -1.25 -4.92 121.76 113.90 2kj6 s ALA 58 Ca 0.40 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.48 2kj6 s ALA 58 Cb 0.08 -3.28 0.13 0.00 0.00 0.00 0.00 23.12 20.05 2kj6 s ALA 58 CO 0.01 -0.57 0.32 -0.51 0.00 0.00 0.00 175.76 175.01 2kj6 s LEU 59 N 1.93 5.45 -0.40 0.00 1.43 -1.26 -0.22 118.68 125.61 2kj6 s LEU 59 Ca 0.42 -2.22 -0.29 0.00 -1.03 0.00 0.00 54.13 51.02 2kj6 s LEU 59 Cb -0.17 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.16 2kj6 s LEU 59 CO 0.15 -0.55 1.25 -1.61 0.23 0.00 0.00 176.35 175.82 2kj6 s GLU 60 N 0.89 3.76 -0.68 1.70 2.02 -0.68 -4.80 118.70 120.91 2kj6 s GLU 60 Ca 0.10 0.88 -0.27 0.00 0.02 0.00 0.00 54.97 55.70 2kj6 s GLU 60 Cb -0.23 -3.91 0.02 0.00 0.10 0.00 0.00 34.13 30.11 2kj6 s GLU 60 CO -0.03 -1.32 1.34 -1.17 0.02 0.00 0.00 175.26 174.10 2kj6 s LEU 61 N 4.62 3.24 -0.28 1.80 2.96 -1.26 -1.20 118.68 128.56 2kj6 s LEU 61 Ca 0.53 -0.21 -0.20 0.00 -0.22 0.00 0.00 54.13 54.03 2kj6 s LEU 61 Cb -0.12 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.86 2kj6 s LEU 61 CO 0.28 -1.83 0.63 -0.31 -1.32 0.00 0.00 176.35 173.80 2kj6 s TYR 62 N 6.02 3.25 0.48 5.38 2.02 0.30 -1.05 117.35 133.74 2kj6 s TYR 62 Ca 0.41 0.70 -0.16 0.00 -0.37 0.00 0.00 57.07 57.66 2kj6 s TYR 62 Cb -0.09 -2.91 -0.08 0.00 -0.40 0.00 0.00 41.96 38.48 2kj6 s TYR 62 CO 0.18 -0.40 0.93 0.16 -1.57 0.00 0.00 175.55 174.85 2kj6 s ASP 63 N 1.56 6.64 -0.91 2.29 -4.77 -1.14 -0.58 116.67 119.75 2kj6 s ASP 63 Ca 0.26 1.48 -0.03 0.00 -3.30 0.00 0.00 52.55 50.96 2kj6 s ASP 63 Cb -0.15 -2.47 0.18 0.00 -1.09 0.00 0.00 42.92 39.39 2kj6 s ASP 63 CO 0.10 -0.51 2.33 -0.67 0.70 0.00 0.00 175.17 177.12 2kj6 n ASP 64 N -1.39 7.34 0.11 2.11 2.03 -0.93 -4.16 116.55 121.67 2kj6 n ASP 64 Ca 0.06 -3.40 0.00 0.00 0.52 0.00 0.00 54.79 51.97 2kj6 n ASP 64 Cb 0.54 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.71 2kj6 n ASP 64 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2kj6 n SER 65 N 0.69 -2.06 0.00 1.67 2.88 -1.26 -5.09 113.62 110.45 2kj6 n SER 65 Ca 0.54 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 2kj6 n SER 65 Cb 0.34 2.16 0.00 0.00 -0.75 0.00 0.00 64.21 65.96 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 -1.47 0.27 0.75 0.46 0.00 -1.26 -5.12 105.19 98.82 2kj6 n GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.09 1.61 7.64 -1.26 -4.97 113.62 112.54 2kj6 n SER 67 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 2kj6 n SER 67 Cb 0.00 0.19 -0.17 0.00 -1.01 0.00 0.00 64.21 63.22 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 -0.47 2.41 -0.63 1.43 1.02 -1.26 -2.89 119.74 119.34 2kj6 s LYS 68 Ca 0.00 -0.64 0.06 0.00 0.02 0.00 0.00 55.97 55.41 2kj6 s LYS 68 Cb 0.00 -1.99 0.22 0.00 -0.52 0.00 0.00 37.83 35.54 2kj6 s LYS 68 CO 0.00 -0.02 0.62 1.33 -0.92 0.00 0.00 175.35 176.36 2kj6 n VAL 69 N 4.06 1.69 -3.64 3.17 0.24 -0.22 -4.90 118.33 118.73 2kj6 n VAL 69 Ca -0.20 -4.91 -0.39 0.00 -2.04 0.00 0.00 64.34 56.80 2kj6 n VAL 69 Cb 0.52 -2.10 -0.09 0.00 -1.47 0.00 0.00 33.84 30.70 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 -1.89 3.52 -0.17 2.33 0.00 -1.26 -4.68 121.76 119.60 2kj6 s ALA 70 Ca 0.34 -2.95 -0.06 0.00 0.00 0.00 0.00 51.96 49.29 2kj6 s ALA 70 Cb 0.08 -2.76 -0.23 0.00 0.00 0.00 0.00 23.12 20.21 2kj6 s ALA 70 CO -0.08 -2.02 0.17 0.28 0.00 0.00 0.00 175.76 174.11 2kj6 n VAL 71 N 4.12 1.68 -3.28 0.00 0.31 -1.26 -5.00 118.33 114.89 2kj6 n VAL 71 Ca 0.03 -0.56 -0.22 0.00 -0.01 0.00 0.00 64.34 63.58 2kj6 n VAL 71 Cb 0.40 -1.69 0.06 0.00 -0.91 0.00 0.00 33.84 31.70 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 -3.56 -3.01 0.00 7.52 7.94 -1.26 -4.84 117.00 119.79 2kj6 n LEU 72 Ca -0.37 -0.40 0.00 0.00 -1.11 0.00 0.00 56.01 54.13 2kj6 n LEU 72 Cb 0.99 -2.82 0.00 0.00 0.53 0.00 0.00 43.42 42.12 2kj6 n LEU 72 CO 0.35 0.44 0.27 -0.24 -1.11 0.00 0.00 177.39 177.10 2kj6 n SER 73 N -2.46 0.92 -0.00 1.96 2.88 -1.26 -4.66 113.62 110.99 2kj6 n SER 73 Ca -0.04 -1.28 0.01 0.00 -1.33 0.00 0.00 58.87 56.23 2kj6 n SER 73 Cb 0.58 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.14 0.11 0.12 -3.46 5.75 -1.26 -4.64 116.55 113.03 2kj6 n ASP 74 Ca 0.00 -0.56 -0.01 0.00 -0.01 0.00 0.00 54.79 54.21 2kj6 n ASP 74 Cb 0.20 0.96 0.06 0.00 -1.03 0.00 0.00 41.12 41.31 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 0.01 0.00 -0.32 -1.12 2.03 -1.98 -2.89 116.42 112.15 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 0.04 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 2kj6 h ASP 75 CO 0.00 0.69 0.00 -1.20 -1.03 0.00 0.00 179.24 177.70 2kj6 n SER 76 N -3.45 2.52 -4.43 4.15 7.64 -1.26 -0.55 113.62 118.25 2kj6 n SER 76 Ca 0.00 -2.20 -0.24 0.00 1.01 0.00 0.00 58.87 57.44 2kj6 n SER 76 Cb 0.75 -0.39 -0.11 0.00 -1.01 0.00 0.00 64.21 63.45 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 -1.67 1.54 -0.04 1.43 1.81 -1.09 -4.89 118.95 116.05 2kj6 s ARG 77 Ca 0.25 -1.63 -0.30 0.00 -1.72 0.00 0.00 55.73 52.33 2kj6 s ARG 77 Cb 0.16 -1.68 -0.09 0.00 -0.45 0.00 0.00 34.95 32.90 2kj6 s ARG 77 CO 0.12 0.33 2.02 -0.35 -0.68 0.00 0.00 175.30 176.75 2kj6 n PRO 78 N -0.19 2.58 0.28 3.54 -0.04 -1.26 -4.15 135.00 135.76 2kj6 n PRO 78 Ca -0.09 0.90 0.14 0.00 -0.04 0.00 0.00 63.50 64.42 2kj6 n PRO 78 Cb 0.58 -3.01 0.85 0.00 -0.04 0.00 0.00 33.50 31.88 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 11.42 0.00 -0.82 1.53 5.85 -1.29 0.09 115.31 132.08 2kj6 h LEU 79 Ca -0.48 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.15 2kj6 h LEU 79 Cb 1.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 2kj6 h LEU 79 CO 0.95 0.06 -0.14 1.23 -0.34 0.00 0.00 178.44 180.19 2kj6 h GLY 80 N 0.42 0.79 1.38 3.75 0.00 -0.07 0.24 103.07 109.57 2kj6 h GLY 80 Ca -0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 47.33 46.60 2kj6 h GLY 80 CO 0.01 0.56 -0.26 -2.75 0.00 0.00 0.00 176.54 174.09 2kj6 h PHE 81 N 0.66 0.81 -0.04 5.60 3.57 -1.26 -1.99 116.94 124.30 2kj6 h PHE 81 Ca 0.11 -0.19 -0.10 0.00 3.53 0.00 0.00 57.97 61.32 2kj6 h PHE 81 Cb 0.61 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2kj6 h PHE 81 CO 0.03 0.90 -0.44 0.35 -2.23 0.00 0.00 178.31 176.92 2kj6 h PHE 82 N 0.61 0.10 -4.47 0.41 3.57 -1.16 -3.49 116.94 112.50 2kj6 h PHE 82 Ca 0.08 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2kj6 h PHE 82 Cb 0.77 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 2kj6 h PHE 82 CO 0.04 0.51 -0.75 0.45 -2.23 0.00 0.00 178.31 176.33 2kj6 n SER 83 N -4.01 -5.57 -4.86 0.41 2.88 0.82 -5.02 113.62 98.28 2kj6 n SER 83 Ca -0.02 1.00 -0.31 0.00 -1.33 0.00 0.00 58.87 58.21 2kj6 n SER 83 Cb 0.48 -4.03 -0.03 0.00 -0.75 0.00 0.00 64.21 59.88 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 -1.09 3.84 0.01 -1.46 0.04 -1.21 -5.03 135.00 130.09 2kj6 s PRO 84 Ca -0.02 0.67 0.07 0.00 0.04 0.00 0.00 61.00 61.76 2kj6 s PRO 84 Cb 0.00 -2.28 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 2kj6 s PRO 84 CO 0.55 -0.15 -0.22 -0.06 0.04 0.00 0.00 177.00 177.17 2kj6 s PHE 85 N -2.50 2.46 -0.97 0.56 0.08 -1.26 -5.01 117.98 111.34 2kj6 s PHE 85 Ca 0.54 -0.33 -0.24 0.00 0.12 0.00 0.00 56.93 57.03 2kj6 s PHE 85 Cb -0.10 -1.49 0.01 0.00 -0.57 0.00 0.00 43.02 40.87 2kj6 s PHE 85 CO 0.32 0.12 1.65 0.34 -0.10 0.00 0.00 175.22 177.56 2kj6 s ASP 86 N -1.01 5.95 -0.00 1.36 2.15 -1.26 -4.21 116.67 119.65 2kj6 s ASP 86 Ca 0.12 -1.14 0.00 0.00 0.43 0.00 0.00 52.55 51.96 2kj6 s ASP 86 Cb -0.10 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 2kj6 s ASP 86 CO 0.02 -2.01 0.18 0.61 -0.17 0.00 0.00 175.17 173.79 2kj6 n GLY 87 N 6.87 -0.33 3.18 2.66 0.00 -1.26 -5.01 105.19 111.30 2kj6 n GLY 87 Ca 0.36 -0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 1.19 -0.05 1.61 0.08 -1.26 -2.18 117.98 117.37 2kj6 s PHE 88 Ca 0.00 -0.50 0.05 0.00 0.12 0.00 0.00 56.93 56.60 2kj6 s PHE 88 Cb 0.00 -0.66 -0.00 0.00 -0.57 0.00 0.00 43.02 41.78 2kj6 s PHE 88 CO -0.00 0.06 -0.19 1.03 -0.10 0.00 0.00 175.22 176.01 2kj6 s ARG 89 N -1.96 2.09 -0.57 0.44 0.52 0.25 -3.04 118.95 116.68 2kj6 s ARG 89 Ca -0.00 -0.69 -0.19 0.00 -0.52 0.00 0.00 55.73 54.33 2kj6 s ARG 89 Cb -0.09 -1.76 0.09 0.00 0.52 0.00 0.00 34.95 33.72 2kj6 s ARG 89 CO 0.02 0.25 0.67 -0.51 0.02 0.00 0.00 175.30 175.75 2kj6 s LEU 90 N 0.07 5.35 -0.62 2.53 1.43 0.15 -0.54 118.68 127.04 2kj6 s LEU 90 Ca -0.06 -1.34 -0.22 0.00 -1.03 0.00 0.00 54.13 51.49 2kj6 s LEU 90 Cb -0.13 -2.32 0.07 0.00 0.03 0.00 0.00 46.19 43.84 2kj6 s LEU 90 CO 0.03 -1.04 0.87 -2.28 0.23 0.00 0.00 176.35 174.17 2kj6 s HIS 91 N 2.58 2.79 -0.43 0.29 2.46 -0.34 -0.85 115.29 121.78 2kj6 s HIS 91 Ca 0.12 -0.59 -0.28 0.00 0.47 0.00 0.00 55.06 54.78 2kj6 s HIS 91 Cb -0.23 -4.14 -0.02 0.00 -0.13 0.00 0.00 32.58 28.06 2kj6 s HIS 91 CO 0.07 -1.49 1.76 0.42 -2.47 0.00 0.00 174.74 173.04 2kj6 s ILE 92 N 3.61 3.50 -0.19 0.89 1.01 0.86 -1.68 121.20 129.19 2kj6 s ILE 92 Ca 0.20 0.45 -0.29 0.00 0.00 0.00 0.00 60.65 61.01 2kj6 s ILE 92 Cb -0.18 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2kj6 s ILE 92 CO 0.10 -0.62 1.04 -0.63 0.00 0.00 0.00 174.94 174.83 2kj6 s ILE 93 N 7.41 4.68 -0.81 2.92 -1.09 0.70 -0.86 121.20 134.15 2kj6 s ILE 93 Ca 0.73 2.00 -0.26 0.00 -2.23 0.00 0.00 60.65 60.90 2kj6 s ILE 93 Cb -0.18 -4.29 0.03 0.00 -1.58 0.00 0.00 42.46 36.44 2kj6 s ILE 93 CO 0.29 -0.13 1.41 -1.81 -1.23 0.00 0.00 174.94 173.47 2kj6 s ASP 94 N 1.21 6.13 0.00 3.58 1.01 -1.26 -4.10 116.67 123.24 2kj6 s ASP 94 Ca 0.46 -0.65 0.00 0.00 0.71 0.00 0.00 52.55 53.07 2kj6 s ASP 94 Cb -0.16 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.21 2kj6 s ASP 94 CO 0.10 -1.84 0.00 0.18 0.21 0.00 0.00 175.17 173.82 2kj6 n LEU 95 N 9.75 0.00 -4.84 1.23 4.77 -1.26 -5.00 117.00 121.65 2kj6 n LEU 95 Ca 0.14 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.75 2kj6 n LEU 95 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 2kj6 n LEU 95 CO 0.69 -0.33 0.13 1.51 -1.33 0.00 0.00 177.39 178.06 2kj6 s ASP 96 N -0.93 6.81 0.00 -1.43 -4.77 -1.26 -5.05 116.67 110.03 2kj6 s ASP 96 Ca 0.00 0.97 0.28 0.00 -3.30 0.00 0.00 52.55 50.51 2kj6 s ASP 96 Cb 0.00 -2.25 1.09 0.00 -1.09 0.00 0.00 42.92 40.67 2kj6 s ASP 96 CO 0.00 0.27 1.77 -0.81 0.70 0.00 0.00 175.17 177.10