#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj4 s VAL 2 N 0.00 -0.01 0.29 2.97 0.11 -1.26 -5.14 120.40 117.37 2kj4 s VAL 2 Ca 0.00 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.08 2kj4 s VAL 2 Cb 0.00 -0.76 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 2kj4 s VAL 2 CO 0.00 0.01 0.00 -0.62 -3.33 0.00 0.00 175.10 171.16 2kj4 n GLU 3 N 3.53 -2.38 -0.00 1.54 -0.58 -1.26 -4.59 120.64 116.90 2kj4 n GLU 3 Ca -0.18 1.61 0.08 0.00 -0.42 0.00 0.00 57.16 58.25 2kj4 n GLU 3 Cb 0.56 -2.89 -0.10 0.00 -0.57 0.00 0.00 31.44 28.44 2kj4 n GLU 3 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2kj4 n PHE 4 N -3.67 0.00 0.00 -0.32 7.35 -1.26 -5.00 117.46 114.56 2kj4 n PHE 4 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2kj4 n PHE 4 Cb 0.53 -0.14 0.00 0.00 0.35 0.00 0.00 39.48 40.23 2kj4 n PHE 4 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2kj4 n SER 5 N -1.63 0.00 -3.87 -2.13 3.41 -1.26 -4.50 113.62 103.64 2kj4 n SER 5 Ca 0.01 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.32 2kj4 n SER 5 Cb 0.31 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.11 2kj4 n SER 5 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2kj4 s GLU 6 N 0.00 1.24 -0.01 4.33 0.41 -1.26 -4.98 118.70 118.43 2kj4 s GLU 6 Ca 0.00 -1.69 -0.00 0.00 -0.41 0.00 0.00 54.97 52.87 2kj4 s GLU 6 Cb 0.00 -2.69 -0.00 0.00 -1.78 0.00 0.00 34.13 29.66 2kj4 s GLU 6 CO 0.00 -1.00 0.10 1.49 -0.49 0.00 0.00 175.26 175.36 2kj4 h GLU 7 N 7.55 -0.01 -1.53 1.61 4.81 -1.93 -3.44 114.58 121.64 2kj4 h GLU 7 Ca -0.07 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.24 2kj4 h GLU 7 Cb 0.99 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 30.12 2kj4 h GLU 7 CO 0.52 -0.01 0.53 0.00 -0.73 0.00 0.00 179.01 179.32 2kj4 s MET 9 N -0.24 0.39 0.14 0.00 -1.94 0.17 -4.71 119.30 113.11 2kj4 s MET 9 Ca 0.02 -0.73 -0.35 0.00 -1.71 0.00 0.00 55.69 52.92 2kj4 s MET 9 Cb -0.03 0.06 -0.16 0.00 2.01 0.00 0.00 34.83 36.71 2kj4 s MET 9 CO -0.05 -0.04 1.30 -2.39 -0.01 0.00 0.00 175.02 173.83 2kj4 n HIS 10 N 1.34 1.54 0.24 -0.03 1.44 -1.08 -1.49 115.22 117.18 2kj4 n HIS 10 Ca -0.22 0.61 0.16 0.00 -2.01 0.00 0.00 57.72 56.25 2kj4 n HIS 10 Cb 0.56 -2.34 0.83 0.00 0.12 0.00 0.00 29.99 29.16 2kj4 n HIS 10 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 2kj4 h GLY 11 N 4.18 0.00 1.19 -1.39 0.00 -1.93 -2.49 103.07 102.64 2kj4 h GLY 11 Ca -0.45 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 2kj4 h GLY 11 CO 0.75 0.00 0.23 1.76 0.00 0.00 0.00 176.54 179.29 2kj4 h SER 12 N 0.00 0.94 0.00 0.19 0.02 -1.90 -3.38 113.55 109.42 2kj4 h SER 12 Ca 0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2kj4 h SER 12 Cb 0.03 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.32 2kj4 h SER 12 CO 0.00 0.87 0.00 0.61 -1.14 0.00 0.00 176.83 177.17 2kj4 n GLY 13 N -0.88 0.22 0.20 -3.77 0.00 -0.94 -4.50 105.19 95.52 2kj4 n GLY 13 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 0.65 0.31 -0.76 1.61 5.08 -1.89 -2.49 114.58 117.09 2kj4 h GLU 14 Ca 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2kj4 h GLU 14 Cb 0.13 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2kj4 h GLU 14 CO 0.00 0.67 0.00 -1.71 -1.00 0.00 0.00 179.01 176.97 2kj4 n ASN 15 N -4.02 3.36 -4.64 1.42 2.85 -1.26 -4.79 115.26 108.17 2kj4 n ASN 15 Ca -0.01 -2.45 -0.38 0.00 -0.11 0.00 0.00 54.58 51.63 2kj4 n ASN 15 Cb 0.49 -0.57 -0.09 0.00 1.24 0.00 0.00 39.78 40.84 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 -1.88 3.30 -0.45 1.20 5.04 -0.94 -4.97 117.35 118.65 2kj4 s TYR 16 Ca 0.28 0.36 0.09 0.00 -2.44 0.00 0.00 57.07 55.36 2kj4 s TYR 16 Cb 0.21 -2.42 0.31 0.00 0.35 0.00 0.00 41.96 40.41 2kj4 s TYR 16 CO 0.09 -0.04 0.72 -3.47 -1.34 0.00 0.00 175.55 171.50 2kj4 n ASP 17 N 4.65 1.67 -4.88 4.32 2.03 -1.26 -4.89 116.55 118.20 2kj4 n ASP 17 Ca -0.12 -3.10 -0.26 0.00 0.52 0.00 0.00 54.79 51.83 2kj4 n ASP 17 Cb 0.51 -0.62 -0.02 0.00 -0.72 0.00 0.00 41.12 40.28 2kj4 n ASP 17 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2kj4 s GLY 18 N -2.29 2.39 -0.33 0.27 0.00 -1.26 -5.06 107.32 101.05 2kj4 s GLY 18 Ca 0.40 -1.33 0.07 0.00 0.00 0.00 0.00 44.72 43.86 2kj4 s GLY 18 CO -0.09 -1.93 1.51 0.58 0.00 0.00 0.00 173.10 173.16 2kj4 n LYS 19 N -1.66 2.04 -2.32 2.90 2.85 -1.26 -4.74 118.16 115.98 2kj4 n LYS 19 Ca -0.02 -3.27 -0.41 0.00 -1.05 0.00 0.00 58.31 53.55 2kj4 n LYS 19 Cb 0.64 -1.91 -0.03 0.00 -0.65 0.00 0.00 35.03 33.08 2kj4 n LYS 19 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 2kj4 s ILE 20 N -3.46 3.51 -0.05 0.58 2.07 -1.26 -4.89 121.20 117.70 2kj4 s ILE 20 Ca 0.47 1.21 0.07 0.00 -1.41 0.00 0.00 60.65 60.99 2kj4 s ILE 20 Cb 0.42 -3.77 0.11 0.00 0.13 0.00 0.00 42.46 39.34 2kj4 s ILE 20 CO 0.01 0.17 1.01 -1.54 -1.91 0.00 0.00 174.94 172.67 2kj4 n SER 21 N 2.89 0.99 -4.20 4.50 3.41 -1.26 -0.11 113.62 119.85 2kj4 n SER 21 Ca 0.06 -2.31 -0.22 0.00 -0.26 0.00 0.00 58.87 56.14 2kj4 n SER 21 Cb 0.44 -0.25 -0.14 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.12 1.12 0.57 4.33 1.02 -1.26 -0.10 119.74 124.30 2kj4 s LYS 22 Ca 0.12 -0.86 -0.08 0.00 0.02 0.00 0.00 55.97 55.16 2kj4 s LYS 22 Cb 0.10 -1.19 0.13 0.00 -0.52 0.00 0.00 37.83 36.35 2kj4 s LYS 22 CO 0.01 0.30 0.77 0.25 -0.92 0.00 0.00 175.35 175.76 2kj4 n THR 23 N 1.81 0.00 0.26 2.17 -2.24 0.59 -4.47 114.28 112.40 2kj4 n THR 23 Ca -0.18 -0.67 0.13 0.00 -2.27 0.00 0.00 64.05 61.06 2kj4 n THR 23 Cb 0.54 -1.58 0.73 0.00 -2.10 0.00 0.00 70.33 67.92 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 -0.67 0.15 114.93 113.63 2kj4 h MET 24 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.45 2kj4 h MET 24 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.33 2kj4 h MET 24 CO 0.19 0.11 -0.19 -1.13 -0.00 0.00 0.00 176.91 175.89 2kj4 n SER 25 N -3.61 0.68 0.00 -0.10 3.41 -1.26 -4.90 113.62 107.83 2kj4 n SER 25 Ca -0.02 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2kj4 n SER 25 Cb 0.24 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 1.35 0.55 3.86 5.00 0.00 0.52 -5.04 105.19 111.43 2kj4 n GLY 26 Ca 0.05 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 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 3.34 0.16 0.99 1.43 -1.26 -4.57 118.68 118.76 2kj4 s LEU 27 Ca 0.00 1.47 -0.30 0.00 -1.03 0.00 0.00 54.13 54.27 2kj4 s LEU 27 Cb 0.00 -4.48 -0.07 0.00 0.03 0.00 0.00 46.19 41.67 2kj4 s LEU 27 CO 0.00 -0.81 0.96 -0.70 0.23 0.00 0.00 176.35 176.03 2kj4 s GLU 28 N -4.85 4.75 0.46 1.70 2.56 -1.26 -0.30 118.70 121.76 2kj4 s GLU 28 Ca 0.56 1.47 -0.20 0.00 0.00 0.00 0.00 54.97 56.81 2kj4 s GLU 28 Cb -0.11 -3.34 -0.10 0.00 2.00 0.00 0.00 34.13 32.58 2kj4 s GLU 28 CO 0.47 0.32 0.96 0.00 -0.56 0.00 0.00 175.26 176.46 2kj4 s GLN 30 N -3.46 4.45 0.20 0.00 0.74 0.13 -4.61 119.66 117.11 2kj4 s GLN 30 Ca 0.61 0.95 -0.33 0.00 0.05 0.00 0.00 55.36 56.65 2kj4 s GLN 30 Cb -0.09 -3.41 -0.13 0.00 1.10 0.00 0.00 33.01 30.48 2kj4 s GLN 30 CO 0.19 0.15 1.67 0.00 -0.55 0.00 0.00 175.29 176.75 2kj4 n ALA 31 N 3.39 2.32 0.04 1.58 0.00 -1.26 -4.40 120.51 122.18 2kj4 n ALA 31 Ca -0.02 0.42 0.10 0.00 0.00 0.00 0.00 53.44 53.94 2kj4 n ALA 31 Cb 0.51 -2.46 0.55 0.00 0.00 0.00 0.00 19.45 18.05 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 6.38 0.26 -0.15 0.00 4.06 -1.01 0.11 115.95 125.60 2kj4 h TRP 32 Ca -0.44 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.52 2kj4 h TRP 32 Cb 1.22 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 29.29 2kj4 h TRP 32 CO 0.63 0.14 0.00 -0.40 -3.56 0.00 0.00 178.44 175.25 2kj4 n ASP 33 N -4.47 1.13 -4.22 -3.49 5.75 -1.26 -4.52 116.55 105.46 2kj4 n ASP 33 Ca 0.05 -1.74 -0.32 0.00 -0.01 0.00 0.00 54.79 52.76 2kj4 n ASP 33 Cb 0.26 -0.10 -0.17 0.00 -1.03 0.00 0.00 41.12 40.09 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 -1.37 3.12 0.00 -1.12 0.15 0.02 -4.97 113.70 109.54 2kj4 s SER 34 Ca 0.25 -0.56 0.15 0.00 0.70 0.00 0.00 55.95 56.49 2kj4 s SER 34 Cb 0.13 -1.42 0.46 0.00 -1.71 0.00 0.00 66.02 63.48 2kj4 s SER 34 CO 0.20 0.15 1.36 1.67 1.20 0.00 0.00 173.24 177.82 2kj4 n GLN 35 N 3.59 1.91 -5.12 5.44 -0.06 -1.26 -4.74 117.38 117.14 2kj4 n GLN 35 Ca -0.19 -1.41 -0.30 0.00 -2.00 0.00 0.00 57.00 53.10 2kj4 n GLN 35 Cb 0.53 -1.34 -0.16 0.00 -4.06 0.00 0.00 30.24 25.20 2kj4 n GLN 35 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2kj4 s SER 36 N -1.16 2.78 0.12 1.69 0.15 -1.26 -3.60 113.70 112.42 2kj4 s SER 36 Ca 0.29 -0.47 0.14 0.00 0.70 0.00 0.00 55.95 56.61 2kj4 s SER 36 Cb 0.15 -0.90 -0.11 0.00 -1.71 0.00 0.00 66.02 63.46 2kj4 s SER 36 CO 0.21 0.19 1.06 1.55 1.20 0.00 0.00 173.24 177.45 2kj4 h PRO 37 N 6.29 0.00 -5.79 5.44 0.13 -1.89 -3.44 132.00 132.74 2kj4 h PRO 37 Ca -0.29 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.24 2kj4 h PRO 37 Cb 1.19 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 2kj4 h PRO 37 CO 0.47 0.51 -0.22 -1.01 -0.23 0.00 0.00 178.00 177.52 2kj4 s HIS 38 N -2.85 3.59 0.29 1.56 3.76 -1.24 -5.06 115.29 115.35 2kj4 s HIS 38 Ca -0.01 0.85 -0.29 0.00 -0.15 0.00 0.00 55.06 55.46 2kj4 s HIS 38 Cb 0.08 -2.38 -0.10 0.00 1.11 0.00 0.00 32.58 31.30 2kj4 s HIS 38 CO 0.80 0.39 1.11 0.00 -0.85 0.00 0.00 174.74 176.19 2kj4 s ALA 39 N -0.15 3.40 -0.16 -1.40 0.00 -1.24 -4.55 121.76 117.67 2kj4 s ALA 39 Ca 0.22 0.91 -0.29 0.00 0.00 0.00 0.00 51.96 52.80 2kj4 s ALA 39 Cb -0.15 -3.33 0.11 0.00 0.00 0.00 0.00 23.12 19.75 2kj4 s ALA 39 CO 0.10 -0.18 0.94 -3.38 0.00 0.00 0.00 175.76 173.23 2kj4 s HIS 40 N -1.17 -0.45 -0.38 0.00 -3.43 -1.26 -5.05 115.29 103.55 2kj4 s HIS 40 Ca 0.45 0.82 0.07 0.00 -0.80 0.00 0.00 55.06 55.60 2kj4 s HIS 40 Cb -0.32 0.43 0.57 0.00 -1.43 0.00 0.00 32.58 31.83 2kj4 s HIS 40 CO 0.41 -0.38 1.59 0.41 -2.00 0.00 0.00 174.74 174.78 2kj4 n GLY 41 N 1.01 3.32 3.24 -1.38 0.00 -1.26 -4.64 105.19 105.48 2kj4 n GLY 41 Ca -0.12 -0.78 -0.44 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.18 4.37 -3.02 1.61 4.02 -1.26 -4.98 117.16 117.73 2kj4 n TYR 42 Ca 0.34 -3.50 -0.41 0.00 -0.01 0.00 0.00 57.90 54.33 2kj4 n TYR 42 Cb 1.21 -1.59 -0.05 0.00 -0.02 0.00 0.00 39.34 38.89 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 4.97 -0.86 -0.72 -1.09 -1.26 -4.68 121.20 115.90 2kj4 s ILE 43 Ca 0.31 1.39 0.13 0.00 -2.23 0.00 0.00 60.65 60.26 2kj4 s ILE 43 Cb -0.05 -4.03 0.12 0.00 -1.58 0.00 0.00 42.46 36.91 2kj4 s ILE 43 CO -0.02 0.09 1.40 -2.65 -1.23 0.00 0.00 174.94 172.53 2kj4 n PRO 44 N 4.99 0.04 0.10 2.79 -0.02 -1.26 -1.91 135.00 139.72 2kj4 n PRO 44 Ca 0.01 0.37 -0.16 0.00 -2.02 0.00 0.00 63.50 61.70 2kj4 n PRO 44 Cb 0.49 -1.59 -0.12 0.00 -0.02 0.00 0.00 33.50 32.26 2kj4 n PRO 44 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2kj4 h SER 45 N 0.00 0.51 0.73 2.55 0.02 -1.92 -2.79 113.55 112.66 2kj4 h SER 45 Ca 0.00 -0.51 -0.05 0.00 -0.84 0.00 0.00 61.79 60.39 2kj4 h SER 45 Cb 0.19 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2kj4 h SER 45 CO 0.00 1.37 -1.31 2.29 -1.14 0.00 0.00 176.83 178.04 2kj4 n LYS 46 N -3.62 0.62 -3.35 3.45 2.85 -0.81 -4.35 118.16 112.95 2kj4 n LYS 46 Ca -0.09 0.09 -0.26 0.00 -1.05 0.00 0.00 58.31 57.00 2kj4 n LYS 46 Cb 0.98 -1.76 -0.08 0.00 -0.65 0.00 0.00 35.03 33.52 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 -2.66 2.14 0.21 5.58 3.72 -0.81 -4.88 117.46 120.76 2kj4 n PHE 47 Ca -0.04 -3.94 0.10 0.00 -0.05 0.00 0.00 57.45 53.53 2kj4 n PHE 47 Cb 0.64 -0.47 0.15 0.00 -0.94 0.00 0.00 39.48 38.86 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 4.18 0.00 0.00 -1.08 0.13 -1.69 -3.34 132.00 130.20 2kj4 h PRO 48 Ca 0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 2kj4 h PRO 48 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 2kj4 h PRO 48 CO 0.69 0.09 -0.06 -2.95 -0.23 0.00 0.00 178.00 175.54 2kj4 h ASN 49 N 0.00 0.00 -0.62 1.44 -1.07 -1.89 0.28 115.58 113.71 2kj4 h ASN 49 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2kj4 h ASN 49 Cb 1.06 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.31 2kj4 h ASN 49 CO 0.01 0.06 0.00 0.29 0.07 0.00 0.00 177.43 177.86 2kj4 n LYS 50 N -3.81 3.05 -3.89 4.14 4.76 -1.25 -4.92 118.16 116.24 2kj4 n LYS 50 Ca -0.02 -2.50 -0.27 0.00 -2.87 0.00 0.00 58.31 52.65 2kj4 n LYS 50 Cb 0.15 -1.69 0.01 0.00 -1.84 0.00 0.00 35.03 31.66 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 1.20 -2.70 -4.56 4.39 5.15 0.09 -4.83 115.26 114.00 2kj4 n ASN 51 Ca 0.23 -0.86 -0.30 0.00 -0.60 0.00 0.00 54.58 53.05 2kj4 n ASN 51 Cb 0.70 -3.67 -0.05 0.00 -0.53 0.00 0.00 39.78 36.24 2kj4 n ASN 51 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2kj4 s LEU 52 N -7.04 3.24 0.15 1.20 2.96 -1.26 -4.90 118.68 113.03 2kj4 s LEU 52 Ca 0.35 -1.02 0.07 0.00 -0.22 0.00 0.00 54.13 53.31 2kj4 s LEU 52 Cb -0.18 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 2kj4 s LEU 52 CO 0.85 -2.48 -0.17 -0.54 -1.32 0.00 0.00 176.35 172.69 2kj4 s LYS 53 N 6.43 1.17 3.12 1.98 -0.14 -1.26 -4.60 119.74 126.44 2kj4 s LYS 53 Ca 0.64 -1.34 0.00 0.00 -1.36 0.00 0.00 55.97 53.92 2kj4 s LYS 53 Cb -0.04 -1.17 0.00 0.00 -1.68 0.00 0.00 37.83 34.94 2kj4 s LYS 53 CO -0.01 0.23 0.00 1.63 -0.76 0.00 0.00 175.35 176.45 2kj4 n LYS 54 N 0.41 0.00 -1.69 1.68 4.76 -1.26 -3.15 118.16 118.90 2kj4 n LYS 54 Ca -0.14 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.03 2kj4 n LYS 54 Cb 0.57 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.81 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 -3.18 5.75 -4.73 4.39 6.94 -1.26 -0.38 115.26 122.80 2kj4 n ASN 55 Ca 0.00 -3.77 -0.40 0.00 -0.02 0.00 0.00 54.58 50.39 2kj4 n ASN 55 Cb 0.00 -0.59 -0.04 0.00 -2.36 0.00 0.00 39.78 36.79 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 -3.66 3.66 -0.00 -2.53 2.02 -1.19 -4.29 117.35 111.36 2kj4 s TYR 56 Ca 0.56 1.43 -0.30 0.00 -0.37 0.00 0.00 57.07 58.39 2kj4 s TYR 56 Cb 0.45 -2.88 -0.06 0.00 -0.40 0.00 0.00 41.96 39.07 2kj4 s TYR 56 CO 0.02 0.14 1.54 0.00 -1.57 0.00 0.00 175.55 175.69 2kj4 s ARG 58 N 2.97 1.46 -0.43 0.00 0.52 -0.53 -4.80 118.95 118.15 2kj4 s ARG 58 Ca 0.69 -1.81 0.02 0.00 -0.52 0.00 0.00 55.73 54.11 2kj4 s ARG 58 Cb -0.34 0.29 0.14 0.00 0.52 0.00 0.00 34.95 35.56 2kj4 s ARG 58 CO 0.29 -0.51 0.25 1.21 0.02 0.00 0.00 175.30 176.55 2kj4 s ASN 59 N -3.26 3.46 -0.08 0.23 2.47 -1.23 -1.94 114.94 114.60 2kj4 s ASN 59 Ca 0.40 -2.62 -0.12 0.00 0.42 0.00 0.00 52.86 50.94 2kj4 s ASN 59 Cb 0.05 -0.92 -0.29 0.00 -1.45 0.00 0.00 41.25 38.64 2kj4 s ASN 59 CO 0.19 -0.26 0.58 1.55 -3.72 0.00 0.00 177.10 175.45 2kj4 h PRO 60 N 6.67 0.34 -0.07 0.43 0.13 -1.91 -3.34 132.00 134.24 2kj4 h PRO 60 Ca 0.02 -0.57 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2kj4 h PRO 60 Cb 0.93 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kj4 h PRO 60 CO 0.45 1.27 0.00 -0.40 -0.23 0.00 0.00 178.00 179.09 2kj4 n ASP 61 N -3.67 1.20 -2.56 1.44 5.75 -1.26 -4.91 116.55 112.56 2kj4 n ASP 61 Ca -0.26 -1.52 -0.11 0.00 -0.01 0.00 0.00 54.79 52.89 2kj4 n ASP 61 Cb 1.02 -0.04 0.06 0.00 -1.03 0.00 0.00 41.12 41.13 2kj4 n ASP 61 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2kj4 n ARG 62 N -0.02 -4.07 -0.52 0.11 1.74 -1.26 -5.04 116.66 107.60 2kj4 n ARG 62 Ca 0.18 0.54 -0.11 0.00 -0.77 0.00 0.00 57.85 57.69 2kj4 n ARG 62 Cb 0.28 -4.63 0.08 0.00 -1.02 0.00 0.00 32.46 27.17 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 -2.37 -0.73 0.12 0.55 -0.08 -1.26 -4.97 116.55 107.81 2kj4 n ASP 63 Ca -0.18 -0.94 0.05 0.00 -1.51 0.00 0.00 54.79 52.21 2kj4 n ASP 63 Cb 0.61 -0.36 0.02 0.00 2.34 0.00 0.00 41.12 43.73 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 0.00 -7.18 -2.67 3.38 -1.94 -3.46 115.31 103.45 2kj4 h LEU 64 Ca -0.15 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2kj4 h LEU 64 Cb 0.44 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.97 2kj4 h LEU 64 CO 0.10 0.34 -0.04 -0.60 0.09 0.00 0.00 178.44 178.33 2kj4 s ARG 65 N -3.07 0.72 0.72 1.13 3.52 -1.26 -4.73 118.95 115.99 2kj4 s ARG 65 Ca 0.02 0.57 -0.16 0.00 -0.13 0.00 0.00 55.73 56.04 2kj4 s ARG 65 Cb 0.08 0.35 -0.03 0.00 -1.56 0.00 0.00 34.95 33.78 2kj4 s ARG 65 CO 0.75 -0.13 0.61 -2.30 -0.81 0.00 0.00 175.30 173.42 2kj4 n PRO 66 N 2.28 0.34 -2.89 5.12 -0.02 -1.26 -4.87 135.00 133.71 2kj4 n PRO 66 Ca -0.15 0.16 -0.06 0.00 -2.02 0.00 0.00 63.50 61.42 2kj4 n PRO 66 Cb 0.56 -1.89 0.01 0.00 -0.02 0.00 0.00 33.50 32.16 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 -2.38 -1.79 -3.56 6.00 4.27 -0.82 -0.99 117.44 118.17 2kj4 n TRP 67 Ca 0.11 -1.28 -0.08 0.00 -3.89 0.00 0.00 57.50 52.35 2kj4 n TRP 67 Cb 0.50 0.58 -0.02 0.00 -1.36 0.00 0.00 31.31 31.01 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 -3.28 3.36 0.25 0.00 0.08 -1.26 -2.42 117.98 114.71 2kj4 s PHE 69 Ca 0.06 1.46 -0.15 0.00 0.12 0.00 0.00 56.93 58.43 2kj4 s PHE 69 Cb -0.01 -2.73 -0.08 0.00 -0.57 0.00 0.00 43.02 39.63 2kj4 s PHE 69 CO -0.07 -0.01 0.67 0.99 -0.10 0.00 0.00 175.22 176.70 2kj4 s THR 70 N -2.07 4.73 -0.90 0.64 2.01 -1.06 0.23 115.64 119.21 2kj4 s THR 70 Ca 0.58 0.92 0.27 0.00 0.31 0.00 0.00 61.69 63.78 2kj4 s THR 70 Cb -0.10 -3.69 0.21 0.00 0.01 0.00 0.00 72.50 68.93 2kj4 s THR 70 CO 0.15 -0.00 1.79 0.41 -0.69 0.00 0.00 174.62 176.28 2kj4 n THR 71 N 0.12 0.19 -2.75 -0.82 -1.04 -0.36 -4.31 114.28 105.31 2kj4 n THR 71 Ca 0.00 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.05 61.49 2kj4 n THR 71 Cb 0.52 -0.41 -0.03 0.00 -1.82 0.00 0.00 70.33 68.59 2kj4 n THR 71 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2kj4 s ASP 72 N -3.50 6.79 0.42 8.00 -1.08 -1.26 -4.89 116.67 121.15 2kj4 s ASP 72 Ca 0.12 0.81 0.20 0.00 -0.52 0.00 0.00 52.55 53.16 2kj4 s ASP 72 Cb 0.17 -2.49 1.14 0.00 -1.46 0.00 0.00 42.92 40.27 2kj4 s ASP 72 CO 0.58 -0.83 1.81 -0.65 0.52 0.00 0.00 175.17 176.60 2kj4 h PRO 73 N 8.24 0.35 0.00 4.34 0.11 -1.99 -1.21 132.00 141.84 2kj4 h PRO 73 Ca -0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2kj4 h PRO 73 Cb 1.07 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2kj4 h PRO 73 CO 0.99 0.23 -0.14 -0.97 -0.21 0.00 0.00 178.00 177.90 2kj4 h ASN 74 N 0.36 0.00 -2.93 -2.05 -0.73 -1.97 -3.43 115.58 104.83 2kj4 h ASN 74 Ca 0.54 -0.01 -0.64 0.00 1.87 0.00 0.00 56.30 58.07 2kj4 h ASN 74 Cb 1.44 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 39.94 2kj4 h ASN 74 CO -0.22 0.00 -0.48 -0.75 -0.37 0.00 0.00 177.43 175.61 2kj4 s LYS 75 N -3.21 3.79 -0.12 6.67 2.47 -0.46 -5.01 119.74 123.87 2kj4 s LYS 75 Ca 0.07 -0.16 -0.04 0.00 -1.56 0.00 0.00 55.97 54.28 2kj4 s LYS 75 Cb 0.07 -3.30 -0.02 0.00 -1.46 0.00 0.00 37.83 33.13 2kj4 s LYS 75 CO 0.67 0.56 -0.05 -0.09 0.16 0.00 0.00 175.35 176.61 2kj4 h ARG 76 N 5.75 0.00 -3.24 4.03 9.65 -1.84 -3.42 114.38 125.31 2kj4 h ARG 76 Ca -0.49 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.39 2kj4 h ARG 76 Cb 1.19 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.68 2kj4 h ARG 76 CO 0.66 0.03 0.07 1.67 2.80 0.00 0.00 179.97 185.20 2kj4 s TRP 77 N -1.82 -0.15 0.11 2.20 1.48 -1.26 -2.56 118.94 116.95 2kj4 s TRP 77 Ca -0.06 -0.20 -0.11 0.00 -1.06 0.00 0.00 56.10 54.67 2kj4 s TRP 77 Cb 0.01 0.45 0.01 0.00 -1.16 0.00 0.00 33.47 32.77 2kj4 s TRP 77 CO 0.10 -0.97 0.26 -1.21 -4.06 0.00 0.00 176.95 171.08 2kj4 s GLU 78 N -3.88 0.94 0.68 3.25 2.02 -1.01 -4.88 118.70 115.82 2kj4 s GLU 78 Ca 0.09 -0.90 -0.13 0.00 0.02 0.00 0.00 54.97 54.05 2kj4 s GLU 78 Cb -0.02 0.39 0.01 0.00 0.10 0.00 0.00 34.13 34.61 2kj4 s GLU 78 CO -0.02 -0.33 1.09 0.71 0.02 0.00 0.00 175.26 176.73 2kj4 s TYR 79 N -3.85 2.76 -0.14 1.61 2.02 -1.26 -1.80 117.35 116.68 2kj4 s TYR 79 Ca 0.05 1.52 -0.02 0.00 -0.37 0.00 0.00 57.07 58.25 2kj4 s TYR 79 Cb 0.04 -3.06 -0.02 0.00 -0.40 0.00 0.00 41.96 38.51 2kj4 s TYR 79 CO -0.10 -1.53 -0.06 0.00 -1.57 0.00 0.00 175.55 172.28 2kj4 s ASP 81 N 0.27 6.72 -0.08 0.00 2.15 -1.26 -4.68 116.67 119.79 2kj4 s ASP 81 Ca -0.05 -2.22 -0.19 0.00 0.43 0.00 0.00 52.55 50.52 2kj4 s ASP 81 Cb -0.14 -2.42 -0.04 0.00 -0.30 0.00 0.00 42.92 40.01 2kj4 s ASP 81 CO 0.04 -1.03 0.53 -0.63 -0.17 0.00 0.00 175.17 173.91 2kj4 s ILE 82 N 2.66 5.10 0.01 4.11 1.01 -1.26 -4.97 121.20 127.86 2kj4 s ILE 82 Ca 0.37 1.09 -0.39 0.00 0.00 0.00 0.00 60.65 61.72 2kj4 s ILE 82 Cb -0.04 -3.87 -0.18 0.00 0.01 0.00 0.00 42.46 38.38 2kj4 s ILE 82 CO -0.07 0.35 1.26 -2.65 0.00 0.00 0.00 174.94 173.82 2kj4 n PRO 83 N 3.40 0.62 -3.77 2.79 -0.02 -1.26 -4.91 135.00 131.86 2kj4 n PRO 83 Ca -0.06 0.22 -0.37 0.00 -2.02 0.00 0.00 63.50 61.27 2kj4 n PRO 83 Cb 0.51 -1.80 -0.06 0.00 -0.02 0.00 0.00 33.50 32.13 2kj4 n PRO 83 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2kj4 s ARG 84 N 0.52 3.66 0.09 -0.52 3.03 -1.26 -0.65 118.95 123.82 2kj4 s ARG 84 Ca 0.89 -0.01 -0.15 0.00 2.03 0.00 0.00 55.73 58.48 2kj4 s ARG 84 Cb -1.11 -3.23 0.03 0.00 -1.03 0.00 0.00 34.95 29.60 2kj4 s ARG 84 CO 0.53 0.68 0.35 0.00 -1.13 0.00 0.00 175.30 175.73 2kj4 n ALA 86 N 0.10 2.58 1.72 0.00 0.00 -1.26 -2.64 120.51 121.02 2kj4 n ALA 86 Ca -0.17 -0.39 0.15 0.00 0.00 0.00 0.00 53.44 53.03 2kj4 n ALA 86 Cb 0.62 -1.22 0.72 0.00 0.00 0.00 0.00 19.45 19.56 2kj4 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50