#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj4 n VAL 2 N 0.00 0.54 0.00 2.97 0.31 -1.26 -3.49 118.33 117.40 2kj4 n VAL 2 Ca 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2kj4 n VAL 2 Cb 0.00 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 2kj4 n VAL 2 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2kj4 n GLU 3 N 2.18 0.00 -3.83 5.55 1.02 0.15 -4.60 120.64 121.11 2kj4 n GLU 3 Ca 0.16 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 57.01 2kj4 n GLU 3 Cb 0.24 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.50 2kj4 n GLU 3 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2kj4 s PHE 4 N 0.00 1.82 -0.07 -0.32 5.36 -1.24 -3.67 117.98 119.87 2kj4 s PHE 4 Ca 0.00 -1.46 -0.04 0.00 -0.96 0.00 0.00 56.93 54.47 2kj4 s PHE 4 Cb 0.00 -1.44 -0.01 0.00 -0.34 0.00 0.00 43.02 41.23 2kj4 s PHE 4 CO 0.00 -0.73 -0.08 0.77 -1.46 0.00 0.00 175.22 173.71 2kj4 h SER 5 N 8.07 0.00 0.00 6.13 0.02 -1.81 -3.44 113.55 122.52 2kj4 h SER 5 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2kj4 h SER 5 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2kj4 h SER 5 CO 0.40 0.36 0.00 1.21 -1.14 0.00 0.00 176.83 177.66 2kj4 n GLU 6 N -3.40 0.00 0.00 3.45 0.00 -1.26 -4.96 120.64 114.47 2kj4 n GLU 6 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.13 2kj4 n GLU 6 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.56 2kj4 n GLU 6 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2kj4 n GLU 7 N -0.22 0.00 -3.74 5.31 1.02 -1.26 -4.85 120.64 116.90 2kj4 n GLU 7 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 2kj4 n GLU 7 Cb 0.00 -0.15 -0.03 0.00 -0.02 0.00 0.00 31.44 31.23 2kj4 n GLU 7 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kj4 s MET 9 N -4.03 3.80 0.45 0.00 0.23 0.15 -4.65 119.30 115.24 2kj4 s MET 9 Ca 0.42 0.23 0.25 0.00 -1.03 0.00 0.00 55.69 55.57 2kj4 s MET 9 Cb -0.06 -3.03 0.98 0.00 -1.53 0.00 0.00 34.83 31.20 2kj4 s MET 9 CO 0.27 0.58 1.85 1.25 -2.03 0.00 0.00 175.02 176.94 2kj4 h HIS 10 N 3.88 0.00 0.00 3.16 2.76 -1.89 -3.31 115.15 119.75 2kj4 h HIS 10 Ca -0.50 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 2kj4 h HIS 10 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.16 2kj4 h HIS 10 CO 0.67 0.20 0.00 0.41 -1.30 0.00 0.00 177.93 177.91 2kj4 n GLY 11 N 0.09 1.05 0.25 5.26 0.00 -1.26 -4.78 105.19 105.80 2kj4 n GLY 11 Ca 0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 2kj4 n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2kj4 h SER 12 N 0.00 0.69 0.00 1.61 4.64 -1.94 -3.46 113.55 115.10 2kj4 h SER 12 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2kj4 h SER 12 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 2kj4 h SER 12 CO 0.00 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 2kj4 n GLY 13 N -1.27 1.37 0.29 -0.77 0.00 -1.26 -3.85 105.19 99.71 2kj4 n GLY 13 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 2kj4 n GLY 13 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2kj4 h GLU 14 N 0.00 0.00 -0.01 1.61 5.08 -1.92 -0.21 114.58 119.12 2kj4 h GLU 14 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kj4 h GLU 14 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2kj4 h GLU 14 CO 0.00 0.00 -0.05 -1.71 -1.00 0.00 0.00 179.01 176.25 2kj4 n ASN 15 N -4.12 1.53 -4.56 1.42 2.85 -1.26 -4.84 115.26 106.27 2kj4 n ASN 15 Ca -0.02 -1.43 -0.43 0.00 -0.11 0.00 0.00 54.58 52.60 2kj4 n ASN 15 Cb 0.13 0.03 -0.03 0.00 1.24 0.00 0.00 39.78 41.15 2kj4 n ASN 15 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 2kj4 s TYR 16 N -2.09 2.77 -0.24 1.20 5.04 -0.09 -4.83 117.35 119.10 2kj4 s TYR 16 Ca 0.35 0.31 0.12 0.00 -2.44 0.00 0.00 57.07 55.41 2kj4 s TYR 16 Cb 0.21 -4.24 0.49 0.00 0.35 0.00 0.00 41.96 38.76 2kj4 s TYR 16 CO 0.37 -1.36 1.41 -0.40 -1.34 0.00 0.00 175.55 174.23 2kj4 n ASP 17 N 7.76 2.77 -4.66 4.32 5.75 -1.26 -4.80 116.55 126.43 2kj4 n ASP 17 Ca 0.06 -3.53 -0.29 0.00 -0.01 0.00 0.00 54.79 51.03 2kj4 n ASP 17 Cb 0.48 -0.59 0.18 0.00 -1.03 0.00 0.00 41.12 40.17 2kj4 n ASP 17 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2kj4 s GLY 18 N -2.46 1.57 -0.39 6.12 0.00 -1.26 -4.97 107.32 105.93 2kj4 s GLY 18 Ca 0.42 -0.31 0.06 0.00 0.00 0.00 0.00 44.72 44.90 2kj4 s GLY 18 CO 0.02 0.31 1.71 0.58 0.00 0.00 0.00 173.10 175.72 2kj4 n LYS 19 N -4.25 2.09 -2.53 2.90 0.00 -1.26 -4.63 118.16 110.48 2kj4 n LYS 19 Ca 0.05 -3.12 -0.41 0.00 -0.00 0.00 0.00 58.31 54.83 2kj4 n LYS 19 Cb 0.57 -2.02 -0.04 0.00 -0.00 0.00 0.00 35.03 33.53 2kj4 n LYS 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 2kj4 s ILE 20 N -3.35 3.84 -0.05 0.58 2.07 -1.26 -4.92 121.20 118.11 2kj4 s ILE 20 Ca 0.52 1.64 0.07 0.00 -1.41 0.00 0.00 60.65 61.46 2kj4 s ILE 20 Cb 0.45 -4.05 0.10 0.00 0.13 0.00 0.00 42.46 39.10 2kj4 s ILE 20 CO 0.05 0.30 1.02 -1.54 -1.91 0.00 0.00 174.94 172.87 2kj4 n SER 21 N 2.15 0.91 -4.31 4.50 3.41 -1.26 -0.90 113.62 118.12 2kj4 n SER 21 Ca 0.02 -2.33 -0.28 0.00 -0.26 0.00 0.00 58.87 56.02 2kj4 n SER 21 Cb 0.46 -0.26 -0.14 0.00 -0.26 0.00 0.00 64.21 64.01 2kj4 n SER 21 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2kj4 s LYS 22 N -1.06 1.58 0.00 4.33 1.02 -1.26 -0.66 119.74 123.70 2kj4 s LYS 22 Ca 0.11 -1.07 0.00 0.00 0.02 0.00 0.00 55.97 55.03 2kj4 s LYS 22 Cb 0.10 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.64 2kj4 s LYS 22 CO 0.01 0.45 0.00 0.25 -0.92 0.00 0.00 175.35 175.14 2kj4 n THR 23 N 1.70 0.00 0.23 2.17 -2.24 0.02 -4.64 114.28 111.52 2kj4 n THR 23 Ca -0.17 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.69 2kj4 n THR 23 Cb 0.53 -1.85 0.55 0.00 -2.10 0.00 0.00 70.33 67.46 2kj4 n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kj4 h MET 24 N 0.00 0.00 -0.00 -0.78 -0.00 -1.60 0.14 114.93 112.69 2kj4 h MET 24 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2kj4 h MET 24 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2kj4 h MET 24 CO 0.00 0.22 -0.46 -1.13 -0.00 0.00 0.00 176.91 175.54 2kj4 n SER 25 N -3.82 0.66 0.00 -0.10 3.41 -1.26 -4.90 113.62 107.61 2kj4 n SER 25 Ca -0.02 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 2kj4 n SER 25 Cb 0.32 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 2kj4 n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kj4 n GLY 26 N 1.46 0.62 3.81 5.00 0.00 0.04 -5.05 105.19 111.07 2kj4 n GLY 26 Ca 0.07 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 2kj4 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kj4 s LEU 27 N 0.00 3.05 -0.12 0.99 1.43 -1.26 -4.56 118.68 118.21 2kj4 s LEU 27 Ca 0.00 1.59 -0.25 0.00 -1.03 0.00 0.00 54.13 54.44 2kj4 s LEU 27 Cb 0.00 -4.42 -0.02 0.00 0.03 0.00 0.00 46.19 41.78 2kj4 s LEU 27 CO 0.00 -1.57 0.79 -0.70 0.23 0.00 0.00 176.35 175.10 2kj4 s GLU 28 N -5.05 4.37 0.39 1.70 2.12 -1.26 -0.80 118.70 120.16 2kj4 s GLU 28 Ca 0.59 0.98 -0.24 0.00 0.36 0.00 0.00 54.97 56.66 2kj4 s GLU 28 Cb -0.14 -3.52 -0.09 0.00 0.26 0.00 0.00 34.13 30.64 2kj4 s GLU 28 CO 0.55 -0.15 1.03 0.00 -0.54 0.00 0.00 175.26 176.14 2kj4 s GLN 30 N -2.46 4.34 0.30 0.00 0.74 0.12 -4.71 119.66 117.99 2kj4 s GLN 30 Ca 0.57 0.57 -0.30 0.00 0.05 0.00 0.00 55.36 56.25 2kj4 s GLN 30 Cb -0.21 -3.42 -0.12 0.00 1.10 0.00 0.00 33.01 30.36 2kj4 s GLN 30 CO 0.26 0.18 1.48 0.00 -0.55 0.00 0.00 175.29 176.66 2kj4 n ALA 31 N 3.52 1.94 -0.09 1.58 0.00 -1.26 -4.35 120.51 121.84 2kj4 n ALA 31 Ca -0.06 0.38 0.04 0.00 0.00 0.00 0.00 53.44 53.80 2kj4 n ALA 31 Cb 0.51 -2.37 0.37 0.00 0.00 0.00 0.00 19.45 17.96 2kj4 n ALA 31 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2kj4 h TRP 32 N 4.01 0.67 -0.00 0.00 4.06 -0.99 -0.34 115.95 123.35 2kj4 h TRP 32 Ca -0.47 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.50 2kj4 h TRP 32 Cb 1.25 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 29.19 2kj4 h TRP 32 CO 0.56 0.40 -0.13 -0.40 -3.56 0.00 0.00 178.44 175.31 2kj4 n ASP 33 N -4.46 0.18 -4.53 -3.49 5.75 -1.26 -4.59 116.55 104.15 2kj4 n ASP 33 Ca 0.06 0.09 -0.37 0.00 -0.01 0.00 0.00 54.79 54.57 2kj4 n ASP 33 Cb 0.10 -0.24 -0.11 0.00 -1.03 0.00 0.00 41.12 39.83 2kj4 n ASP 33 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2kj4 s SER 34 N -2.87 5.61 -0.35 -1.12 0.15 -0.14 -4.95 113.70 110.04 2kj4 s SER 34 Ca 0.17 -0.08 0.08 0.00 0.70 0.00 0.00 55.95 56.82 2kj4 s SER 34 Cb 0.19 -2.02 0.71 0.00 -1.71 0.00 0.00 66.02 63.19 2kj4 s SER 34 CO 0.55 -0.02 1.82 1.67 1.20 0.00 0.00 173.24 178.46 2kj4 n GLN 35 N 4.85 3.26 -3.95 5.44 7.27 -1.26 -4.64 117.38 128.35 2kj4 n GLN 35 Ca -0.15 -2.97 -0.21 0.00 0.07 0.00 0.00 57.00 53.74 2kj4 n GLN 35 Cb 0.52 -2.18 -0.17 0.00 2.41 0.00 0.00 30.24 30.81 2kj4 n GLN 35 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2kj4 s SER 36 N -1.03 1.21 0.01 1.69 0.01 -1.26 -3.62 113.70 110.71 2kj4 s SER 36 Ca 0.54 -0.10 0.14 0.00 1.31 0.00 0.00 55.95 57.85 2kj4 s SER 36 Cb 0.44 -0.43 -0.18 0.00 0.21 0.00 0.00 66.02 66.06 2kj4 s SER 36 CO 0.13 -0.13 0.77 1.55 0.41 0.00 0.00 173.24 175.97 2kj4 h PRO 37 N 7.75 0.00 -5.90 12.44 0.13 -1.89 -3.46 132.00 141.06 2kj4 h PRO 37 Ca -0.30 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.25 2kj4 h PRO 37 Cb 1.14 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.19 2kj4 h PRO 37 CO 0.37 0.41 0.51 -1.01 -0.23 0.00 0.00 178.00 178.05 2kj4 s HIS 38 N -2.75 3.35 0.11 1.56 3.76 -1.26 -5.02 115.29 115.05 2kj4 s HIS 38 Ca -0.04 1.24 -0.30 0.00 -0.15 0.00 0.00 55.06 55.82 2kj4 s HIS 38 Cb 0.08 -3.08 -0.06 0.00 1.11 0.00 0.00 32.58 30.63 2kj4 s HIS 38 CO 0.82 -0.36 1.06 0.00 -0.85 0.00 0.00 174.74 175.40 2kj4 s ALA 39 N 2.68 3.31 0.02 -1.40 0.00 -1.24 -4.53 121.76 120.60 2kj4 s ALA 39 Ca 0.38 0.71 -0.27 0.00 0.00 0.00 0.00 51.96 52.78 2kj4 s ALA 39 Cb -0.16 -3.34 0.09 0.00 0.00 0.00 0.00 23.12 19.71 2kj4 s ALA 39 CO 0.09 -0.20 0.77 -3.38 0.00 0.00 0.00 175.76 173.04 2kj4 s HIS 40 N 0.22 -0.47 -0.45 0.00 -3.43 -1.26 -5.05 115.29 104.85 2kj4 s HIS 40 Ca 0.51 0.46 0.04 0.00 -0.80 0.00 0.00 55.06 55.27 2kj4 s HIS 40 Cb -0.26 0.51 0.61 0.00 -1.43 0.00 0.00 32.58 32.01 2kj4 s HIS 40 CO 0.31 -0.63 1.84 0.41 -2.00 0.00 0.00 174.74 174.68 2kj4 n GLY 41 N 0.03 4.75 3.24 -1.38 0.00 -1.26 -4.71 105.19 105.86 2kj4 n GLY 41 Ca -0.13 -1.27 -0.44 0.00 0.00 0.00 0.00 46.02 44.18 2kj4 n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kj4 n TYR 42 N -1.11 4.54 -3.18 1.61 4.02 -1.26 -4.99 117.16 116.78 2kj4 n TYR 42 Ca 0.56 -3.65 -0.40 0.00 -0.01 0.00 0.00 57.90 54.40 2kj4 n TYR 42 Cb 1.45 -1.55 -0.06 0.00 -0.02 0.00 0.00 39.34 39.15 2kj4 n TYR 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2kj4 s ILE 43 N -1.65 5.06 0.58 -0.72 1.01 -1.26 -4.62 121.20 119.61 2kj4 s ILE 43 Ca 0.31 1.08 0.32 0.00 0.00 0.00 0.00 60.65 62.36 2kj4 s ILE 43 Cb -0.06 -3.90 0.37 0.00 0.01 0.00 0.00 42.46 38.88 2kj4 s ILE 43 CO -0.04 0.15 2.26 -0.65 0.00 0.00 0.00 174.94 176.65 2kj4 h PRO 44 N 7.44 0.00 0.02 2.79 0.11 -1.81 -1.81 132.00 138.74 2kj4 h PRO 44 Ca -0.33 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.56 2kj4 h PRO 44 Cb 1.15 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2kj4 h PRO 44 CO 0.76 0.01 -1.06 0.66 -0.21 0.00 0.00 178.00 178.16 2kj4 h SER 45 N 0.00 0.06 0.86 -2.05 4.64 -1.93 -2.93 113.55 112.21 2kj4 h SER 45 Ca -0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2kj4 h SER 45 Cb 0.04 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2kj4 h SER 45 CO 0.00 1.05 -1.01 2.29 -0.87 0.00 0.00 176.83 178.29 2kj4 n LYS 46 N -3.37 0.53 -3.23 4.77 2.85 -0.80 -4.13 118.16 114.79 2kj4 n LYS 46 Ca -0.02 0.09 -0.26 0.00 -1.05 0.00 0.00 58.31 57.06 2kj4 n LYS 46 Cb 0.96 -1.77 -0.06 0.00 -0.65 0.00 0.00 35.03 33.51 2kj4 n LYS 46 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2kj4 n PHE 47 N -2.50 3.39 0.03 5.58 3.72 -0.75 -4.94 117.46 121.99 2kj4 n PHE 47 Ca 0.00 -4.05 -0.18 0.00 -0.05 0.00 0.00 57.45 53.17 2kj4 n PHE 47 Cb 0.52 -0.52 -0.08 0.00 -0.94 0.00 0.00 39.48 38.47 2kj4 n PHE 47 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2kj4 h PRO 48 N 3.69 0.67 0.00 -1.08 0.13 -1.67 -3.18 132.00 130.57 2kj4 h PRO 48 Ca 0.16 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2kj4 h PRO 48 Cb 0.63 0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2kj4 h PRO 48 CO 0.79 1.26 0.00 0.27 -0.23 0.00 0.00 178.00 180.10 2kj4 n ASN 49 N -3.86 0.02 -0.79 1.44 6.94 -1.26 -1.23 115.26 116.52 2kj4 n ASN 49 Ca -0.09 0.51 0.12 0.00 -0.02 0.00 0.00 54.58 55.10 2kj4 n ASN 49 Cb 0.84 -0.51 0.30 0.00 -2.36 0.00 0.00 39.78 38.04 2kj4 n ASN 49 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2kj4 n LYS 50 N -1.53 2.06 -3.56 -3.83 4.76 -1.20 -4.96 118.16 109.91 2kj4 n LYS 50 Ca 0.03 -1.57 -0.23 0.00 -2.87 0.00 0.00 58.31 53.67 2kj4 n LYS 50 Cb 0.15 -1.46 0.08 0.00 -1.84 0.00 0.00 35.03 31.96 2kj4 n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2kj4 n ASN 51 N 0.84 -5.82 -4.56 4.39 4.05 -0.37 -4.70 115.26 109.10 2kj4 n ASN 51 Ca 0.17 -0.54 -0.35 0.00 0.45 0.00 0.00 54.58 54.31 2kj4 n ASN 51 Cb 0.47 -4.97 -0.04 0.00 1.23 0.00 0.00 39.78 36.48 2kj4 n ASN 51 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2kj4 s LEU 52 N -7.10 3.27 0.04 1.20 1.02 -1.26 -4.91 118.68 110.94 2kj4 s LEU 52 Ca 0.51 -0.53 0.05 0.00 0.02 0.00 0.00 54.13 54.17 2kj4 s LEU 52 Cb -0.22 -2.55 -0.02 0.00 0.02 0.00 0.00 46.19 43.41 2kj4 s LEU 52 CO 0.72 -2.25 -0.13 -0.54 0.02 0.00 0.00 176.35 174.16 2kj4 s LYS 53 N 6.40 0.87 2.99 1.70 -0.14 -1.26 -4.58 119.74 125.71 2kj4 s LYS 53 Ca 0.59 -0.75 0.00 0.00 -1.36 0.00 0.00 55.97 54.45 2kj4 s LYS 53 Cb -0.07 -0.86 0.00 0.00 -1.68 0.00 0.00 37.83 35.22 2kj4 s LYS 53 CO 0.05 0.21 0.00 1.63 -0.76 0.00 0.00 175.35 176.48 2kj4 n LYS 54 N 1.85 0.00 -1.22 1.68 4.76 -1.26 -2.58 118.16 121.38 2kj4 n LYS 54 Ca -0.18 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.18 2kj4 n LYS 54 Cb 0.55 0.00 0.13 0.00 -1.84 0.00 0.00 35.03 33.86 2kj4 n LYS 54 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2kj4 n ASN 55 N 1.10 3.14 -4.80 4.39 6.94 -1.26 -0.32 115.26 124.45 2kj4 n ASN 55 Ca 0.00 -3.84 -0.39 0.00 -0.02 0.00 0.00 54.58 50.34 2kj4 n ASN 55 Cb 0.00 -0.45 -0.06 0.00 -2.36 0.00 0.00 39.78 36.91 2kj4 n ASN 55 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2kj4 s TYR 56 N -3.40 3.83 0.08 -2.53 2.02 -1.06 -4.32 117.35 111.97 2kj4 s TYR 56 Ca 0.44 1.44 -0.31 0.00 -0.37 0.00 0.00 57.07 58.27 2kj4 s TYR 56 Cb 0.39 -2.62 -0.08 0.00 -0.40 0.00 0.00 41.96 39.24 2kj4 s TYR 56 CO -0.02 0.53 1.63 0.00 -1.57 0.00 0.00 175.55 176.11 2kj4 s ARG 58 N 2.38 1.43 -0.42 0.00 1.81 -0.83 -4.79 118.95 118.53 2kj4 s ARG 58 Ca 0.73 -1.77 0.03 0.00 -1.72 0.00 0.00 55.73 52.99 2kj4 s ARG 58 Cb -0.40 -0.38 0.16 0.00 -0.45 0.00 0.00 34.95 33.88 2kj4 s ARG 58 CO 0.32 -0.26 0.31 1.21 -0.68 0.00 0.00 175.30 176.20 2kj4 s ASN 59 N -3.34 2.21 0.05 0.23 2.47 -1.25 -1.23 114.94 114.08 2kj4 s ASN 59 Ca 0.37 -2.87 -0.09 0.00 0.42 0.00 0.00 52.86 50.68 2kj4 s ASN 59 Cb 0.08 -0.55 -0.31 0.00 -1.45 0.00 0.00 41.25 39.01 2kj4 s ASN 59 CO 0.13 -0.21 1.04 1.55 -3.72 0.00 0.00 177.10 175.90 2kj4 h PRO 60 N 6.04 0.38 -0.49 0.43 0.13 -1.91 -3.30 132.00 133.29 2kj4 h PRO 60 Ca 0.19 -0.65 0.10 0.00 -0.87 0.00 0.00 66.00 64.76 2kj4 h PRO 60 Cb 0.91 0.24 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2kj4 h PRO 60 CO 0.38 1.30 0.33 -0.44 -0.23 0.00 0.00 178.00 179.35 2kj4 h ASP 61 N 0.10 0.20 -1.01 1.44 5.19 -1.98 -3.46 116.42 116.91 2kj4 h ASP 61 Ca -0.20 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.15 2kj4 h ASP 61 Cb 2.06 -0.04 0.01 0.00 0.18 0.00 0.00 39.33 41.54 2kj4 h ASP 61 CO 0.23 0.12 -0.09 0.54 -3.12 0.00 0.00 179.24 176.92 2kj4 n ARG 62 N -4.45 -0.66 -0.32 3.56 1.74 -1.26 -5.06 116.66 110.20 2kj4 n ARG 62 Ca 0.08 0.14 -0.08 0.00 -0.77 0.00 0.00 57.85 57.21 2kj4 n ARG 62 Cb 0.40 -3.45 0.07 0.00 -1.02 0.00 0.00 32.46 28.45 2kj4 n ARG 62 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2kj4 n ASP 63 N 1.15 -1.07 0.12 0.55 -0.08 -1.26 -4.95 116.55 111.02 2kj4 n ASP 63 Ca -0.02 -0.75 -0.02 0.00 -1.51 0.00 0.00 54.79 52.48 2kj4 n ASP 63 Cb 0.52 -0.27 0.15 0.00 2.34 0.00 0.00 41.12 43.86 2kj4 n ASP 63 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2kj4 h LEU 64 N 0.00 0.06 -7.26 -2.67 4.07 -1.97 -3.46 115.31 104.07 2kj4 h LEU 64 Ca -0.11 -0.04 0.09 0.00 0.08 0.00 0.00 57.88 57.90 2kj4 h LEU 64 Cb 0.33 -0.02 -0.12 0.00 1.08 0.00 0.00 40.66 41.94 2kj4 h LEU 64 CO 0.07 0.68 0.40 0.00 -1.08 0.00 0.00 178.44 178.51 2kj4 s ARG 65 N -3.61 1.12 0.66 1.13 1.70 -1.25 -4.76 118.95 113.93 2kj4 s ARG 65 Ca -0.02 -0.50 -0.17 0.00 -0.47 0.00 0.00 55.73 54.57 2kj4 s ARG 65 Cb 0.12 0.46 -0.02 0.00 -0.57 0.00 0.00 34.95 34.94 2kj4 s ARG 65 CO 0.77 -0.50 0.99 -2.30 -1.08 0.00 0.00 175.30 173.18 2kj4 n PRO 66 N -0.35 0.76 -3.79 3.89 -0.02 -1.25 -4.85 135.00 129.39 2kj4 n PRO 66 Ca -0.10 0.31 -0.14 0.00 -2.02 0.00 0.00 63.50 61.55 2kj4 n PRO 66 Cb 0.62 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 2kj4 n PRO 66 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2kj4 n TRP 67 N -2.07 -1.29 -3.47 6.00 4.27 -0.36 -1.06 117.44 119.46 2kj4 n TRP 67 Ca 0.14 -2.18 -0.13 0.00 -3.89 0.00 0.00 57.50 51.44 2kj4 n TRP 67 Cb 0.48 0.48 -0.03 0.00 -1.36 0.00 0.00 31.31 30.88 2kj4 n TRP 67 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2kj4 s PHE 69 N -3.30 3.55 0.19 0.00 0.08 -1.26 -1.63 117.98 115.61 2kj4 s PHE 69 Ca -0.01 1.71 -0.09 0.00 0.12 0.00 0.00 56.93 58.65 2kj4 s PHE 69 Cb -0.01 -2.89 -0.07 0.00 -0.57 0.00 0.00 43.02 39.49 2kj4 s PHE 69 CO -0.09 0.09 0.50 0.95 -0.10 0.00 0.00 175.22 176.58 2kj4 s THR 70 N -1.83 4.98 -1.65 0.64 -4.23 -1.13 0.15 115.64 112.57 2kj4 s THR 70 Ca 0.54 0.42 0.27 0.00 -1.18 0.00 0.00 61.69 61.75 2kj4 s THR 70 Cb -0.15 -3.63 0.32 0.00 1.34 0.00 0.00 72.50 70.38 2kj4 s THR 70 CO 0.20 0.02 1.67 0.35 -0.54 0.00 0.00 174.62 176.31 2kj4 n THR 71 N 0.10 0.00 -2.31 3.99 -2.24 -0.34 -4.45 114.28 109.02 2kj4 n THR 71 Ca -0.01 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 2kj4 n THR 71 Cb 0.52 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.92 2kj4 n THR 71 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kj4 s ASP 72 N -2.53 6.85 0.58 3.42 -1.08 -1.26 -4.90 116.67 117.73 2kj4 s ASP 72 Ca 0.25 1.79 0.28 0.00 -0.52 0.00 0.00 52.55 54.35 2kj4 s ASP 72 Cb 0.19 -2.54 1.53 0.00 -1.46 0.00 0.00 42.92 40.65 2kj4 s ASP 72 CO 0.51 -0.83 2.00 -0.65 0.52 0.00 0.00 175.17 176.72 2kj4 h PRO 73 N 8.66 0.00 0.13 4.34 0.11 -2.01 -2.08 132.00 141.15 2kj4 h PRO 73 Ca -0.30 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.48 2kj4 h PRO 73 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2kj4 h PRO 73 CO 0.97 0.00 -1.71 -0.97 -0.21 0.00 0.00 178.00 176.09 2kj4 h ASN 74 N 0.00 0.43 -3.36 -2.05 -1.24 -1.97 -3.45 115.58 103.95 2kj4 h ASN 74 Ca 0.17 -0.69 -0.58 0.00 0.71 0.00 0.00 56.30 55.91 2kj4 h ASN 74 Cb 0.86 -0.14 -0.07 0.00 0.73 0.00 0.00 38.32 39.70 2kj4 h ASN 74 CO -0.00 1.59 0.21 -0.75 -1.29 0.00 0.00 177.43 177.18 2kj4 s LYS 75 N -2.59 4.32 -0.10 6.67 2.20 -0.78 -4.94 119.74 124.51 2kj4 s LYS 75 Ca -0.13 0.85 -0.26 0.00 -0.36 0.00 0.00 55.97 56.06 2kj4 s LYS 75 Cb 0.06 -3.53 -0.27 0.00 -1.51 0.00 0.00 37.83 32.58 2kj4 s LYS 75 CO 0.83 -0.17 0.84 -0.09 -0.36 0.00 0.00 175.35 176.40 2kj4 h ARG 76 N 7.19 0.11 -3.57 4.03 2.43 -1.87 -3.39 114.38 119.29 2kj4 h ARG 76 Ca -0.34 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 58.62 2kj4 h ARG 76 Cb 1.16 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 30.68 2kj4 h ARG 76 CO 0.79 1.06 -0.07 1.67 -1.51 0.00 0.00 179.97 181.90 2kj4 s TRP 77 N -2.40 0.31 -0.03 2.20 1.48 -1.26 -2.86 118.94 116.38 2kj4 s TRP 77 Ca -0.17 -0.68 -0.14 0.00 -1.06 0.00 0.00 56.10 54.05 2kj4 s TRP 77 Cb -0.01 0.26 0.02 0.00 -1.16 0.00 0.00 33.47 32.58 2kj4 s TRP 77 CO 0.74 -1.03 0.31 -2.00 -4.06 0.00 0.00 176.95 170.90 2kj4 s GLU 78 N -3.96 0.62 0.54 3.25 2.12 -0.65 -4.82 118.70 115.79 2kj4 s GLU 78 Ca 0.21 -0.10 -0.21 0.00 0.36 0.00 0.00 54.97 55.24 2kj4 s GLU 78 Cb -0.01 0.28 -0.05 0.00 0.26 0.00 0.00 34.13 34.60 2kj4 s GLU 78 CO 0.09 -0.16 1.23 0.71 -0.54 0.00 0.00 175.26 176.59 2kj4 s TYR 79 N -1.09 2.52 -0.07 5.30 2.02 -1.26 -1.47 117.35 123.30 2kj4 s TYR 79 Ca -0.11 1.49 -0.01 0.00 -0.37 0.00 0.00 57.07 58.06 2kj4 s TYR 79 Cb -0.05 -3.53 -0.03 0.00 -0.40 0.00 0.00 41.96 37.95 2kj4 s TYR 79 CO 0.04 -2.16 0.01 0.00 -1.57 0.00 0.00 175.55 171.87 2kj4 s ASP 81 N -1.06 6.03 -0.01 0.00 2.15 -1.26 -4.60 116.67 117.92 2kj4 s ASP 81 Ca 0.15 -1.34 -0.15 0.00 0.43 0.00 0.00 52.55 51.65 2kj4 s ASP 81 Cb -0.11 -2.14 -0.06 0.00 -0.30 0.00 0.00 42.92 40.31 2kj4 s ASP 81 CO 0.04 -0.61 0.40 -0.63 -0.17 0.00 0.00 175.17 174.21 2kj4 s ILE 82 N 1.60 5.05 0.23 4.11 -1.09 -1.26 -4.87 121.20 124.96 2kj4 s ILE 82 Ca 0.04 0.82 -0.29 0.00 -2.23 0.00 0.00 60.65 59.00 2kj4 s ILE 82 Cb -0.24 -3.71 -0.16 0.00 -1.58 0.00 0.00 42.46 36.78 2kj4 s ILE 82 CO 0.06 0.57 0.75 -2.65 -1.23 0.00 0.00 174.94 172.43 2kj4 n PRO 83 N 1.93 0.56 -3.34 2.79 -0.02 -1.26 -4.71 135.00 130.94 2kj4 n PRO 83 Ca -0.14 0.20 -0.41 0.00 -2.02 0.00 0.00 63.50 61.12 2kj4 n PRO 83 Cb 0.52 -1.37 -0.09 0.00 -0.02 0.00 0.00 33.50 32.54 2kj4 n PRO 83 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2kj4 s ARG 84 N -1.15 3.46 -0.33 -0.52 0.52 -1.26 0.30 118.95 119.97 2kj4 s ARG 84 Ca 0.63 -0.44 -0.13 0.00 -0.52 0.00 0.00 55.73 55.27 2kj4 s ARG 84 Cb -0.85 -3.85 -0.02 0.00 0.52 0.00 0.00 34.95 30.75 2kj4 s ARG 84 CO 0.57 -0.63 0.25 0.00 0.02 0.00 0.00 175.30 175.51 2kj4 n ALA 86 N 5.14 6.08 1.38 0.00 0.00 -1.26 -4.81 120.51 127.04 2kj4 n ALA 86 Ca -0.12 -3.09 0.14 0.00 0.00 0.00 0.00 53.44 50.37 2kj4 n ALA 86 Cb 0.50 -1.72 0.42 0.00 0.00 0.00 0.00 19.45 18.65 2kj4 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50