#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 0.00 -0.03 -0.72 0.24 -1.26 -4.75 118.33 111.81 2kj4 n VAL 2 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 2kj4 n VAL 2 Cb 0.00 0.08 -0.12 0.00 -1.47 0.00 0.00 33.84 32.33 2kj4 n VAL 2 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2kj4 h GLU 3 N 0.00 0.14 -3.93 7.34 3.07 -2.10 -3.46 114.58 115.64 2kj4 h GLU 3 Ca 0.00 -0.16 -0.15 0.00 -0.50 0.00 0.00 59.36 58.55 2kj4 h GLU 3 Cb 0.16 0.05 -0.19 0.00 -0.84 0.00 0.00 28.75 27.92 2kj4 h GLU 3 CO 0.00 0.93 -0.64 -0.59 -1.40 0.00 0.00 179.01 177.31 2kj4 s PHE 4 N -2.97 0.26 -2.35 4.33 -0.71 -1.26 -5.06 117.98 110.23 2kj4 s PHE 4 Ca -0.16 -0.56 0.21 0.00 -1.04 0.00 0.00 56.93 55.38 2kj4 s PHE 4 Cb 0.00 -0.20 0.54 0.00 -1.21 0.00 0.00 43.02 42.16 2kj4 s PHE 4 CO 0.73 -0.26 1.45 -1.13 -1.34 0.00 0.00 175.22 174.67 2kj4 n SER 5 N 1.20 2.72 -2.25 1.98 3.41 -1.26 -4.63 113.62 114.79 2kj4 n SER 5 Ca -0.21 -1.90 -0.02 0.00 -0.26 0.00 0.00 58.87 56.48 2kj4 n SER 5 Cb 0.57 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2kj4 n SER 5 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2kj4 n GLU 6 N 1.01 -1.01 -0.07 4.33 2.13 -1.26 -5.01 120.64 120.75 2kj4 n GLU 6 Ca 0.18 1.21 -0.08 0.00 0.66 0.00 0.00 57.16 59.13 2kj4 n GLU 6 Cb 0.48 -3.70 -0.10 0.00 0.27 0.00 0.00 31.44 28.39 2kj4 n GLU 6 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2kj4 n GLU 7 N -0.82 1.37 -3.53 5.31 -0.58 -1.26 -5.06 120.64 116.07 2kj4 n GLU 7 Ca 0.04 0.03 -0.08 0.00 -0.42 0.00 0.00 57.16 56.72 2kj4 n GLU 7 Cb 0.35 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 29.85 2kj4 n GLU 7 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kj4 s MET 9 N -2.63 2.52 -0.56 0.00 -1.94 0.10 -4.77 119.30 112.01 2kj4 s MET 9 Ca 0.04 -1.50 -0.25 0.00 -1.71 0.00 0.00 55.69 52.28 2kj4 s MET 9 Cb -0.01 -2.31 0.04 0.00 2.01 0.00 0.00 34.83 34.56 2kj4 s MET 9 CO -0.06 -0.02 1.00 -1.01 -0.01 0.00 0.00 175.02 174.92 2kj4 s HIS 10 N -2.42 2.74 0.00 -0.03 3.76 -1.26 0.00 115.29 118.08 2kj4 s HIS 10 Ca 0.42 0.06 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 2kj4 s HIS 10 Cb -0.03 -4.19 0.00 0.00 1.11 0.00 0.00 32.58 29.47 2kj4 s HIS 10 CO 0.26 -1.43 0.00 0.41 -0.85 0.00 0.00 174.74 173.13 2kj4 n GLY 11 N 5.12 0.31 0.35 -2.22 0.00 0.24 -1.44 105.19 107.54 2kj4 n GLY 11 Ca 0.03 0.24 -0.04 0.00 0.00 0.00 0.00 46.02 46.25 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 1.04 0.00 1.61 4.64 -1.89 -3.46 113.55 115.48 2kj4 h SER 12 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2kj4 h SER 12 Cb 0.00 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.82 2kj4 h SER 12 CO 0.00 0.87 0.00 0.61 -0.87 0.00 0.00 176.83 177.44 2kj4 n GLY 13 N -1.05 0.52 0.20 -0.77 0.00 -0.52 -3.37 105.19 100.21 2kj4 n GLY 13 Ca 0.08 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.59 2kj4 n GLY 13 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kj4 h GLU 14 N 0.57 0.00 -0.01 1.61 4.81 -1.80 -2.00 114.58 117.75 2kj4 h GLU 14 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kj4 h GLU 14 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2kj4 h GLU 14 CO 0.00 0.32 0.00 -1.71 -0.73 0.00 0.00 179.01 176.89 2kj4 n ASN 15 N -3.70 0.34 -4.57 1.04 4.05 -1.26 -4.70 115.26 106.46 2kj4 n ASN 15 Ca -0.01 -1.23 -0.40 0.00 0.45 0.00 0.00 54.58 53.39 2kj4 n ASN 15 Cb 0.42 -0.01 -0.03 0.00 1.23 0.00 0.00 39.78 41.40 2kj4 n ASN 15 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 2kj4 s TYR 16 N -1.99 1.70 -2.58 1.20 5.04 -0.75 -4.76 117.35 115.21 2kj4 s TYR 16 Ca 0.41 0.77 0.23 0.00 -2.44 0.00 0.00 57.07 56.04 2kj4 s TYR 16 Cb 0.19 -4.08 0.47 0.00 0.35 0.00 0.00 41.96 38.89 2kj4 s TYR 16 CO 0.32 -2.61 1.42 -3.47 -1.34 0.00 0.00 175.55 169.87 2kj4 n ASP 17 N 11.76 2.91 -3.90 4.32 -0.08 -1.26 -4.86 116.55 125.44 2kj4 n ASP 17 Ca 0.23 -1.92 -0.30 0.00 -1.51 0.00 0.00 54.79 51.29 2kj4 n ASP 17 Cb 0.50 -0.15 0.24 0.00 2.34 0.00 0.00 41.12 44.05 2kj4 n ASP 17 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2kj4 s GLY 18 N -1.66 1.56 -0.17 0.27 0.00 -1.26 -4.99 107.32 101.07 2kj4 s GLY 18 Ca 0.35 -0.83 0.16 0.00 0.00 0.00 0.00 44.72 44.40 2kj4 s GLY 18 CO 0.30 0.03 1.43 0.58 0.00 0.00 0.00 173.10 175.45 2kj4 n LYS 19 N -4.82 3.06 -2.11 2.90 0.00 -1.26 -4.76 118.16 111.17 2kj4 n LYS 19 Ca 0.12 -2.80 -0.42 0.00 -0.00 0.00 0.00 58.31 55.20 2kj4 n LYS 19 Cb 0.59 -1.83 -0.03 0.00 -0.00 0.00 0.00 35.03 33.77 2kj4 n LYS 19 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2kj4 s ILE 20 N -2.66 3.45 -0.02 0.58 1.01 -1.26 -4.85 121.20 117.45 2kj4 s ILE 20 Ca 0.42 0.86 0.00 0.00 0.00 0.00 0.00 60.65 61.93 2kj4 s ILE 20 Cb 0.33 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 39.25 2kj4 s ILE 20 CO 0.10 -0.00 0.99 -1.54 0.00 0.00 0.00 174.94 174.49 2kj4 n SER 21 N 5.44 2.00 -4.33 3.58 3.41 -1.26 0.16 113.62 122.61 2kj4 n SER 21 Ca 0.14 -1.98 -0.26 0.00 -0.26 0.00 0.00 58.87 56.51 2kj4 n SER 21 Cb 0.42 -0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.98 1.24 0.47 4.33 1.02 -1.26 -0.34 119.74 124.23 2kj4 s LYS 22 Ca 0.00 -1.25 -0.07 0.00 0.02 0.00 0.00 55.97 54.68 2kj4 s LYS 22 Cb 0.00 -1.60 0.11 0.00 -0.52 0.00 0.00 37.83 35.82 2kj4 s LYS 22 CO 0.00 0.37 0.64 0.25 -0.92 0.00 0.00 175.35 175.70 2kj4 n THR 23 N 0.98 0.00 0.25 2.17 -2.24 0.93 -4.49 114.28 111.89 2kj4 n THR 23 Ca -0.19 -0.55 0.12 0.00 -2.27 0.00 0.00 64.05 61.16 2kj4 n THR 23 Cb 0.53 -1.64 0.68 0.00 -2.10 0.00 0.00 70.33 67.80 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 -0.75 0.23 114.93 113.63 2kj4 h MET 24 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.49 2kj4 h MET 24 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.20 2kj4 h MET 24 CO 0.16 0.14 -0.63 0.77 -0.00 0.00 0.00 176.91 177.35 2kj4 h SER 25 N 0.00 0.00 0.00 -0.10 0.02 -1.92 -3.46 113.55 108.09 2kj4 h SER 25 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2kj4 h SER 25 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2kj4 h SER 25 CO 0.02 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 2kj4 n GLY 26 N 1.18 1.24 3.87 -3.77 0.00 0.07 -5.08 105.19 102.69 2kj4 n GLY 26 Ca 0.02 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 3.65 0.05 0.99 1.43 -1.26 -4.63 118.68 118.90 2kj4 s LEU 27 Ca 0.00 1.32 -0.22 0.00 -1.03 0.00 0.00 54.13 54.20 2kj4 s LEU 27 Cb 0.00 -4.25 -0.06 0.00 0.03 0.00 0.00 46.19 41.91 2kj4 s LEU 27 CO 0.00 -0.55 0.66 -0.70 0.23 0.00 0.00 176.35 175.98 2kj4 s GLU 28 N -4.21 4.38 0.44 1.70 2.12 -1.26 -0.05 118.70 121.81 2kj4 s GLU 28 Ca 0.54 0.88 -0.19 0.00 0.36 0.00 0.00 54.97 56.56 2kj4 s GLU 28 Cb -0.10 -3.32 -0.10 0.00 0.26 0.00 0.00 34.13 30.87 2kj4 s GLU 28 CO 0.36 0.42 0.93 0.00 -0.54 0.00 0.00 175.26 176.44 2kj4 s GLN 30 N -3.35 4.37 0.15 0.00 0.74 0.15 -4.63 119.66 117.09 2kj4 s GLN 30 Ca 0.60 0.84 -0.33 0.00 0.05 0.00 0.00 55.36 56.53 2kj4 s GLN 30 Cb -0.09 -3.33 -0.13 0.00 1.10 0.00 0.00 33.01 30.56 2kj4 s GLN 30 CO 0.17 0.38 1.67 0.00 -0.55 0.00 0.00 175.29 176.97 2kj4 n ALA 31 N 2.59 1.85 -0.06 1.58 0.00 -1.26 -4.55 120.51 120.66 2kj4 n ALA 31 Ca -0.06 0.41 0.20 0.00 0.00 0.00 0.00 53.44 53.98 2kj4 n ALA 31 Cb 0.51 -2.44 0.65 0.00 0.00 0.00 0.00 19.45 18.16 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 6.71 0.12 0.00 0.00 4.06 -1.15 0.16 115.95 125.85 2kj4 h TRP 32 Ca -0.45 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.51 2kj4 h TRP 32 Cb 1.24 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 2kj4 h TRP 32 CO 0.67 0.05 -0.29 0.22 -3.56 0.00 0.00 178.44 175.52 2kj4 h ASP 33 N 0.11 0.00 -3.24 -3.49 3.58 -1.80 -3.40 116.42 108.17 2kj4 h ASP 33 Ca 0.30 -0.07 -0.58 0.00 0.42 0.00 0.00 57.03 57.09 2kj4 h ASP 33 Cb 1.04 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.02 2kj4 h ASP 33 CO -0.03 0.04 -0.15 -0.55 -2.88 0.00 0.00 179.24 175.66 2kj4 s SER 34 N -4.73 6.74 -0.01 2.28 0.15 0.04 -4.94 113.70 113.22 2kj4 s SER 34 Ca 0.08 0.87 0.21 0.00 0.70 0.00 0.00 55.95 57.81 2kj4 s SER 34 Cb 0.11 -2.28 0.63 0.00 -1.71 0.00 0.00 66.02 62.78 2kj4 s SER 34 CO 0.66 0.11 1.53 0.00 1.20 0.00 0.00 173.24 176.74 2kj4 n GLN 35 N 3.04 2.75 -4.73 5.44 1.13 -1.26 -4.80 117.38 118.95 2kj4 n GLN 35 Ca -0.09 -2.56 -0.29 0.00 -1.94 0.00 0.00 57.00 52.12 2kj4 n GLN 35 Cb 0.52 -1.59 -0.17 0.00 0.11 0.00 0.00 30.24 29.11 2kj4 n GLN 35 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2kj4 s SER 36 N -0.98 2.58 0.09 1.08 1.04 -1.26 -2.26 113.70 113.99 2kj4 s SER 36 Ca 0.47 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.48 2kj4 s SER 36 Cb 0.25 -1.18 -0.23 0.00 0.10 0.00 0.00 66.02 64.96 2kj4 s SER 36 CO 0.31 0.07 1.16 1.55 0.98 0.00 0.00 173.24 177.31 2kj4 h PRO 37 N 7.11 0.08 -5.67 4.02 0.13 -1.88 -3.46 132.00 132.33 2kj4 h PRO 37 Ca -0.28 -0.14 -0.61 0.00 -0.87 0.00 0.00 66.00 64.10 2kj4 h PRO 37 Cb 1.20 0.05 -0.12 0.00 0.13 0.00 0.00 31.00 32.26 2kj4 h PRO 37 CO 0.49 1.02 0.30 -1.01 -0.23 0.00 0.00 178.00 178.56 2kj4 s HIS 38 N -2.68 3.17 0.12 1.56 3.76 -1.21 -5.02 115.29 114.98 2kj4 s HIS 38 Ca -0.01 0.61 -0.30 0.00 -0.15 0.00 0.00 55.06 55.20 2kj4 s HIS 38 Cb 0.09 -3.22 -0.06 0.00 1.11 0.00 0.00 32.58 30.50 2kj4 s HIS 38 CO 0.84 -0.61 1.10 0.00 -0.85 0.00 0.00 174.74 175.22 2kj4 s ALA 39 N 2.89 3.34 0.04 -1.40 0.00 -0.96 -4.40 121.76 121.28 2kj4 s ALA 39 Ca 0.29 0.77 -0.27 0.00 0.00 0.00 0.00 51.96 52.75 2kj4 s ALA 39 Cb -0.14 -3.37 0.07 0.00 0.00 0.00 0.00 23.12 19.68 2kj4 s ALA 39 CO 0.14 -0.25 0.65 -3.38 0.00 0.00 0.00 175.76 172.92 2kj4 s HIS 40 N 0.26 -0.59 -0.52 0.00 -3.43 -1.26 -5.04 115.29 104.69 2kj4 s HIS 40 Ca 0.52 0.75 0.07 0.00 -0.80 0.00 0.00 55.06 55.60 2kj4 s HIS 40 Cb -0.28 0.48 0.47 0.00 -1.43 0.00 0.00 32.58 31.82 2kj4 s HIS 40 CO 0.32 -0.71 1.27 0.41 -2.00 0.00 0.00 174.74 174.03 2kj4 n GLY 41 N 0.31 2.50 3.13 -1.38 0.00 -1.26 -4.57 105.19 103.92 2kj4 n GLY 41 Ca -0.18 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 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 0.27 3.73 -2.92 1.61 4.02 -1.26 -5.00 117.16 117.61 2kj4 n TYR 42 Ca 0.19 -3.32 -0.40 0.00 -0.01 0.00 0.00 57.90 54.35 2kj4 n TYR 42 Cb 0.85 -1.41 -0.04 0.00 -0.02 0.00 0.00 39.34 38.72 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 -2.05 4.86 0.63 -0.72 1.09 -1.26 -4.55 121.20 119.19 2kj4 s ILE 43 Ca 0.31 1.70 0.36 0.00 -1.10 0.00 0.00 60.65 61.92 2kj4 s ILE 43 Cb -0.02 -4.15 0.39 0.00 -1.06 0.00 0.00 42.46 37.62 2kj4 s ILE 43 CO 0.01 0.27 2.26 -0.65 -0.10 0.00 0.00 174.94 176.73 2kj4 h PRO 44 N 6.32 0.00 0.00 2.79 0.11 -1.80 -1.48 132.00 137.94 2kj4 h PRO 44 Ca -0.42 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.51 2kj4 h PRO 44 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2kj4 h PRO 44 CO 0.73 0.00 -0.94 0.77 -0.21 0.00 0.00 178.00 178.36 2kj4 h SER 45 N 0.00 0.00 0.94 -2.05 0.02 -1.93 -3.04 113.55 107.49 2kj4 h SER 45 Ca 0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 2kj4 h SER 45 Cb 0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 2kj4 h SER 45 CO -0.00 0.83 -1.09 0.07 -1.14 0.00 0.00 176.83 175.50 2kj4 h LYS 46 N 0.00 0.00 -2.26 3.45 2.10 -1.69 -3.37 116.57 114.80 2kj4 h LYS 46 Ca -0.04 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 58.02 2kj4 h LYS 46 Cb 1.67 0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 32.59 2kj4 h LYS 46 CO 0.10 0.08 -0.81 1.19 -2.00 0.00 0.00 179.45 178.02 2kj4 n PHE 47 N -2.74 1.75 0.08 0.07 3.72 -0.96 -4.96 117.46 114.42 2kj4 n PHE 47 Ca -0.02 -3.89 -0.15 0.00 -0.05 0.00 0.00 57.45 53.34 2kj4 n PHE 47 Cb 0.63 -0.41 -0.08 0.00 -0.94 0.00 0.00 39.48 38.67 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 4.43 0.37 0.00 -1.08 0.13 -1.70 -3.30 132.00 130.85 2kj4 h PRO 48 Ca 0.16 -0.48 -0.06 0.00 -0.87 0.00 0.00 66.00 64.74 2kj4 h PRO 48 Cb 0.77 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2kj4 h PRO 48 CO 0.64 1.17 -0.31 -0.97 -0.23 0.00 0.00 178.00 178.30 2kj4 h ASN 49 N 0.17 0.00 0.00 1.44 -1.24 -1.93 -1.05 115.58 112.98 2kj4 h ASN 49 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.90 2kj4 h ASN 49 Cb 1.74 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.79 2kj4 h ASN 49 CO 0.18 0.31 0.00 0.29 -1.29 0.00 0.00 177.43 176.92 2kj4 n LYS 50 N -4.04 0.97 -2.48 6.67 4.01 -1.24 -4.88 118.16 117.17 2kj4 n LYS 50 Ca -0.02 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.64 2kj4 n LYS 50 Cb 0.36 -1.20 0.01 0.00 -0.51 0.00 0.00 35.03 33.69 2kj4 n LYS 50 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2kj4 n ASN 51 N -0.70 -4.48 -4.56 4.39 5.15 -0.40 -4.60 115.26 110.05 2kj4 n ASN 51 Ca 0.09 -0.09 -0.17 0.00 -0.60 0.00 0.00 54.58 53.81 2kj4 n ASN 51 Cb 0.04 -3.52 -0.07 0.00 -0.53 0.00 0.00 39.78 35.71 2kj4 n ASN 51 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2kj4 s LEU 52 N -4.34 2.93 0.05 1.20 1.02 -1.26 -4.88 118.68 113.41 2kj4 s LEU 52 Ca 0.09 -0.21 0.08 0.00 0.02 0.00 0.00 54.13 54.11 2kj4 s LEU 52 Cb -0.04 -2.55 -0.03 0.00 0.02 0.00 0.00 46.19 43.59 2kj4 s LEU 52 CO 0.11 -3.59 -0.23 -0.54 0.02 0.00 0.00 176.35 172.11 2kj4 s LYS 53 N 8.33 1.55 1.00 1.70 -0.14 -1.26 -4.56 119.74 126.37 2kj4 s LYS 53 Ca 0.86 -1.04 0.00 0.00 -1.36 0.00 0.00 55.97 54.43 2kj4 s LYS 53 Cb -0.11 -1.72 0.00 0.00 -1.68 0.00 0.00 37.83 34.33 2kj4 s LYS 53 CO 0.06 0.44 0.00 1.63 -0.76 0.00 0.00 175.35 176.72 2kj4 n LYS 54 N 1.75 0.00 -1.02 1.68 5.02 -1.26 -0.99 118.16 123.34 2kj4 n LYS 54 Ca -0.17 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.16 2kj4 n LYS 54 Cb 0.53 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.59 2kj4 n LYS 54 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2kj4 n ASN 55 N 5.29 0.94 -4.75 4.39 6.94 -1.26 -0.58 115.26 126.23 2kj4 n ASN 55 Ca 0.00 -2.34 -0.40 0.00 -0.02 0.00 0.00 54.58 51.81 2kj4 n ASN 55 Cb 0.00 -0.32 -0.06 0.00 -2.36 0.00 0.00 39.78 37.05 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 -0.65 3.92 0.17 -2.53 2.02 -0.16 -4.45 117.35 115.67 2kj4 s TYR 56 Ca 0.26 1.87 -0.32 0.00 -0.37 0.00 0.00 57.07 58.52 2kj4 s TYR 56 Cb 0.28 -3.02 -0.11 0.00 -0.40 0.00 0.00 41.96 38.71 2kj4 s TYR 56 CO -0.10 0.32 1.63 0.00 -1.57 0.00 0.00 175.55 175.83 2kj4 s ARG 58 N 1.24 1.31 -0.53 0.00 1.81 -0.80 -4.84 118.95 117.13 2kj4 s ARG 58 Ca 0.72 -1.66 0.04 0.00 -1.72 0.00 0.00 55.73 53.10 2kj4 s ARG 58 Cb -0.46 -0.54 0.15 0.00 -0.45 0.00 0.00 34.95 33.65 2kj4 s ARG 58 CO 0.32 -0.12 0.34 1.21 -0.68 0.00 0.00 175.30 176.37 2kj4 s ASN 59 N -3.29 3.80 -0.05 0.23 3.84 -1.26 -1.16 114.94 117.06 2kj4 s ASN 59 Ca 0.28 -3.14 -0.12 0.00 0.21 0.00 0.00 52.86 50.09 2kj4 s ASN 59 Cb 0.06 -1.24 -0.31 0.00 -0.55 0.00 0.00 41.25 39.21 2kj4 s ASN 59 CO 0.08 -0.19 0.67 1.55 -2.79 0.00 0.00 177.10 176.42 2kj4 h PRO 60 N 6.11 0.38 -0.02 0.43 0.13 -1.92 -3.39 132.00 133.72 2kj4 h PRO 60 Ca 0.07 -0.65 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2kj4 h PRO 60 Cb 0.86 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2kj4 h PRO 60 CO 0.58 1.31 -0.15 -0.40 -0.23 0.00 0.00 178.00 179.10 2kj4 n ASP 61 N -3.65 2.66 -2.03 1.44 5.75 -1.26 -4.96 116.55 114.49 2kj4 n ASP 61 Ca -0.24 -1.83 -0.04 0.00 -0.01 0.00 0.00 54.79 52.66 2kj4 n ASP 61 Cb 1.05 0.16 0.02 0.00 -1.03 0.00 0.00 41.12 41.32 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 0.89 -0.68 -0.47 0.11 5.12 -1.26 -5.08 116.66 115.29 2kj4 n ARG 62 Ca 0.12 0.28 -0.06 0.00 -1.93 0.00 0.00 57.85 56.26 2kj4 n ARG 62 Cb 0.55 -2.81 0.04 0.00 -1.16 0.00 0.00 32.46 29.07 2kj4 n ARG 62 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2kj4 n ASP 63 N -2.01 0.05 -0.26 0.55 -0.08 -1.26 -4.98 116.55 108.56 2kj4 n ASP 63 Ca -0.02 -1.12 -0.07 0.00 -1.51 0.00 0.00 54.79 52.07 2kj4 n ASP 63 Cb 0.54 -0.20 0.05 0.00 2.34 0.00 0.00 41.12 43.84 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 1.09 -7.77 -2.67 4.07 -1.98 -3.46 115.31 104.59 2kj4 h LEU 64 Ca -0.09 -0.23 0.02 0.00 0.08 0.00 0.00 57.88 57.67 2kj4 h LEU 64 Cb 0.25 -0.29 -0.08 0.00 1.08 0.00 0.00 40.66 41.63 2kj4 h LEU 64 CO 0.06 1.03 0.16 0.00 -1.08 0.00 0.00 178.44 178.61 2kj4 s ARG 65 N -5.33 1.59 0.71 1.13 1.70 -1.26 -4.66 118.95 112.84 2kj4 s ARG 65 Ca -0.12 -0.89 -0.16 0.00 -0.47 0.00 0.00 55.73 54.08 2kj4 s ARG 65 Cb 0.15 0.58 -0.03 0.00 -0.57 0.00 0.00 34.95 35.08 2kj4 s ARG 65 CO 0.85 -0.71 0.69 -2.30 -1.08 0.00 0.00 175.30 172.75 2kj4 n PRO 66 N -0.41 0.40 -3.95 3.89 -0.02 -1.22 -4.80 135.00 128.89 2kj4 n PRO 66 Ca -0.07 0.18 -0.12 0.00 -2.02 0.00 0.00 63.50 61.47 2kj4 n PRO 66 Cb 0.61 -1.96 -0.01 0.00 -0.02 0.00 0.00 33.50 32.12 2kj4 n PRO 66 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2kj4 s TRP 67 N -1.86 0.61 0.12 6.00 1.48 -0.31 -0.20 118.94 124.79 2kj4 s TRP 67 Ca 0.69 -1.06 -0.25 0.00 -1.06 0.00 0.00 56.10 54.42 2kj4 s TRP 67 Cb -0.36 0.37 0.07 0.00 -1.16 0.00 0.00 33.47 32.40 2kj4 s TRP 67 CO 0.55 -1.36 0.77 0.00 -4.06 0.00 0.00 176.95 172.85 2kj4 s PHE 69 N -3.50 3.93 0.34 0.00 0.08 -1.26 -1.90 117.98 115.67 2kj4 s PHE 69 Ca 0.06 1.74 -0.17 0.00 0.12 0.00 0.00 56.93 58.68 2kj4 s PHE 69 Cb -0.02 -2.86 -0.09 0.00 -0.57 0.00 0.00 43.02 39.48 2kj4 s PHE 69 CO -0.06 0.48 0.79 0.99 -0.10 0.00 0.00 175.22 177.32 2kj4 s THR 70 N -1.09 4.58 -0.80 0.64 2.01 -0.17 0.34 115.64 121.14 2kj4 s THR 70 Ca 0.38 1.14 0.27 0.00 0.31 0.00 0.00 61.69 63.78 2kj4 s THR 70 Cb -0.24 -3.64 0.24 0.00 0.01 0.00 0.00 72.50 68.87 2kj4 s THR 70 CO 0.28 -0.18 1.75 1.07 -0.69 0.00 0.00 174.62 176.86 2kj4 n THR 71 N -0.31 0.39 -2.15 -0.82 5.66 -0.64 -4.39 114.28 112.02 2kj4 n THR 71 Ca 0.04 -0.20 -0.42 0.00 -3.05 0.00 0.00 64.05 60.42 2kj4 n THR 71 Cb 0.53 -0.48 -0.03 0.00 -1.55 0.00 0.00 70.33 68.80 2kj4 n THR 71 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kj4 s ASP 72 N -4.03 6.78 0.49 1.09 -1.08 -1.26 -4.85 116.67 113.81 2kj4 s ASP 72 Ca 0.11 2.21 0.18 0.00 -0.52 0.00 0.00 52.55 54.52 2kj4 s ASP 72 Cb 0.14 -2.56 1.20 0.00 -1.46 0.00 0.00 42.92 40.24 2kj4 s ASP 72 CO 0.60 -0.77 2.03 1.55 0.52 0.00 0.00 175.17 179.10 2kj4 h PRO 73 N 8.00 0.18 0.13 4.34 0.13 -2.01 -2.16 132.00 140.61 2kj4 h PRO 73 Ca -0.39 -0.01 -0.32 0.00 -0.87 0.00 0.00 66.00 64.41 2kj4 h PRO 73 Cb 1.18 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2kj4 h PRO 73 CO 0.91 0.12 -1.65 -0.97 -0.23 0.00 0.00 178.00 176.17 2kj4 h ASN 74 N 0.18 0.42 -3.61 1.44 -1.24 -1.95 -3.44 115.58 107.38 2kj4 h ASN 74 Ca 0.19 -0.65 -0.58 0.00 0.71 0.00 0.00 56.30 55.97 2kj4 h ASN 74 Cb 0.52 -0.14 -0.09 0.00 0.73 0.00 0.00 38.32 39.35 2kj4 h ASN 74 CO -0.03 1.55 0.73 -0.75 -1.29 0.00 0.00 177.43 177.64 2kj4 s LYS 75 N -2.60 3.72 -0.02 6.67 2.20 -0.81 -4.90 119.74 124.00 2kj4 s LYS 75 Ca -0.12 0.48 -0.20 0.00 -0.36 0.00 0.00 55.97 55.77 2kj4 s LYS 75 Cb 0.07 -3.88 -0.12 0.00 -1.51 0.00 0.00 37.83 32.39 2kj4 s LYS 75 CO 0.84 -1.19 0.84 -0.09 -0.36 0.00 0.00 175.35 175.39 2kj4 h ARG 76 N 8.91 -0.62 -4.33 4.03 2.43 -1.85 -3.33 114.38 119.63 2kj4 h ARG 76 Ca -0.23 0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 58.80 2kj4 h ARG 76 Cb 1.07 0.14 -0.14 0.00 -0.42 0.00 0.00 29.97 30.62 2kj4 h ARG 76 CO 1.05 -0.37 -0.52 1.67 -1.51 0.00 0.00 179.97 180.30 2kj4 s TRP 77 N -3.85 0.88 0.12 2.20 1.48 -1.26 -1.00 118.94 117.50 2kj4 s TRP 77 Ca -0.11 -1.17 -0.13 0.00 -1.06 0.00 0.00 56.10 53.63 2kj4 s TRP 77 Cb 0.01 -0.37 0.02 0.00 -1.16 0.00 0.00 33.47 31.97 2kj4 s TRP 77 CO 0.34 -0.67 0.33 -2.00 -4.06 0.00 0.00 176.95 170.89 2kj4 s GLU 78 N -4.09 1.03 0.48 3.25 2.12 -0.80 -4.82 118.70 115.87 2kj4 s GLU 78 Ca 0.30 -0.85 -0.20 0.00 0.36 0.00 0.00 54.97 54.59 2kj4 s GLU 78 Cb 0.06 0.42 -0.09 0.00 0.26 0.00 0.00 34.13 34.78 2kj4 s GLU 78 CO 0.08 -0.38 1.00 0.71 -0.54 0.00 0.00 175.26 176.12 2kj4 s TYR 79 N -3.84 3.17 -0.16 5.30 2.02 -1.26 -1.86 117.35 120.71 2kj4 s TYR 79 Ca 0.05 1.57 -0.05 0.00 -0.37 0.00 0.00 57.07 58.28 2kj4 s TYR 79 Cb 0.03 -2.94 -0.03 0.00 -0.40 0.00 0.00 41.96 38.61 2kj4 s TYR 79 CO -0.10 -0.51 -0.01 0.00 -1.57 0.00 0.00 175.55 173.36 2kj4 s ASP 81 N 0.31 6.72 0.04 0.00 2.15 -1.26 -4.49 116.67 120.14 2kj4 s ASP 81 Ca -0.02 -2.20 -0.20 0.00 0.43 0.00 0.00 52.55 50.57 2kj4 s ASP 81 Cb -0.14 -2.43 -0.06 0.00 -0.30 0.00 0.00 42.92 40.00 2kj4 s ASP 81 CO 0.02 -1.05 0.57 -0.63 -0.17 0.00 0.00 175.17 173.91 2kj4 s ILE 82 N 2.78 4.82 -0.32 4.11 -1.09 -1.26 -4.94 121.20 125.31 2kj4 s ILE 82 Ca 0.37 1.20 -0.38 0.00 -2.23 0.00 0.00 60.65 59.62 2kj4 s ILE 82 Cb -0.03 -3.90 -0.14 0.00 -1.58 0.00 0.00 42.46 36.81 2kj4 s ILE 82 CO -0.07 0.50 1.99 -2.65 -1.23 0.00 0.00 174.94 173.49 2kj4 n PRO 83 N 2.12 1.10 -4.43 2.79 -0.02 -1.26 -4.93 135.00 130.37 2kj4 n PRO 83 Ca -0.09 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.41 2kj4 n PRO 83 Cb 0.51 -2.26 -0.15 0.00 -0.02 0.00 0.00 33.50 31.58 2kj4 n PRO 83 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2kj4 s ARG 84 N 5.02 3.19 0.20 -0.52 3.00 -1.26 0.01 118.95 128.58 2kj4 s ARG 84 Ca 1.05 -0.76 0.08 0.00 -1.00 0.00 0.00 55.73 55.10 2kj4 s ARG 84 Cb -0.98 -2.64 -0.04 0.00 0.00 0.00 0.00 34.95 31.29 2kj4 s ARG 84 CO 0.57 -0.03 -0.01 0.00 0.00 0.00 0.00 175.30 175.83 2kj4 n ALA 86 N -0.30 3.02 0.99 0.00 0.00 -1.26 -0.59 120.51 122.37 2kj4 n ALA 86 Ca -0.09 -0.40 0.12 0.00 0.00 0.00 0.00 53.44 53.07 2kj4 n ALA 86 Cb 0.56 -1.14 0.10 0.00 0.00 0.00 0.00 19.45 18.96 2kj4 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50