#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 3.51 0.41 2.97 1.01 -1.26 -5.12 120.40 121.91 2kj4 s VAL 2 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2kj4 s VAL 2 Cb 0.00 -2.48 0.08 0.00 0.00 0.00 0.00 36.38 33.98 2kj4 s VAL 2 CO 0.00 0.54 0.56 -0.62 0.00 0.00 0.00 175.10 175.58 2kj4 n GLU 3 N 3.12 0.27 -2.06 2.72 -0.58 -1.26 -4.98 120.64 117.88 2kj4 n GLU 3 Ca -0.18 -1.59 -0.40 0.00 -0.42 0.00 0.00 57.16 54.57 2kj4 n GLU 3 Cb 0.53 -0.35 -0.03 0.00 -0.57 0.00 0.00 31.44 31.02 2kj4 n GLU 3 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2kj4 s PHE 4 N -1.59 1.78 -1.61 -0.32 0.08 -1.26 -4.82 117.98 110.23 2kj4 s PHE 4 Ca 0.38 0.73 0.00 0.00 0.12 0.00 0.00 56.93 58.15 2kj4 s PHE 4 Cb -0.02 -4.12 0.00 0.00 -0.57 0.00 0.00 43.02 38.30 2kj4 s PHE 4 CO 0.25 -2.47 0.50 0.43 -0.10 0.00 0.00 175.22 173.83 2kj4 n SER 5 N 11.63 0.25 -3.32 1.36 7.64 -1.26 -4.75 113.62 125.16 2kj4 n SER 5 Ca 0.21 -1.25 -0.21 0.00 1.01 0.00 0.00 58.87 58.63 2kj4 n SER 5 Cb 0.50 -0.12 0.07 0.00 -1.01 0.00 0.00 64.21 63.65 2kj4 n SER 5 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2kj4 n GLU 6 N -0.23 -7.15 -0.22 1.43 2.13 -1.26 -4.86 120.64 110.47 2kj4 n GLU 6 Ca 0.00 0.76 0.01 0.00 0.66 0.00 0.00 57.16 58.59 2kj4 n GLU 6 Cb 0.06 -5.59 0.13 0.00 0.27 0.00 0.00 31.44 26.30 2kj4 n GLU 6 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2kj4 h GLU 7 N -2.39 0.47 -2.89 5.31 5.08 -1.96 -3.45 114.58 114.75 2kj4 h GLU 7 Ca -0.52 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 57.85 2kj4 h GLU 7 Cb 1.33 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2kj4 h GLU 7 CO 0.50 0.31 0.32 0.00 -1.00 0.00 0.00 179.01 179.15 2kj4 s MET 9 N -2.75 3.82 -1.00 0.00 0.23 0.19 -4.90 119.30 114.89 2kj4 s MET 9 Ca 0.15 0.28 -0.23 0.00 -1.03 0.00 0.00 55.69 54.85 2kj4 s MET 9 Cb -0.05 -3.12 -0.01 0.00 -1.53 0.00 0.00 34.83 30.13 2kj4 s MET 9 CO 0.09 0.64 1.76 -1.58 -2.03 0.00 0.00 175.02 173.90 2kj4 s HIS 10 N -1.22 2.14 0.00 3.16 2.46 -1.26 -2.65 115.29 117.92 2kj4 s HIS 10 Ca 0.27 -0.04 0.00 0.00 0.47 0.00 0.00 55.06 55.76 2kj4 s HIS 10 Cb -0.15 -4.31 0.00 0.00 -0.13 0.00 0.00 32.58 27.99 2kj4 s HIS 10 CO 0.15 -1.76 0.00 0.41 -2.47 0.00 0.00 174.74 171.07 2kj4 n GLY 11 N 6.65 0.59 0.11 1.59 0.00 -1.23 -0.30 105.19 112.60 2kj4 n GLY 11 Ca 0.39 0.53 -0.02 0.00 0.00 0.00 0.00 46.02 46.92 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 0.00 0.00 1.61 4.64 -1.87 -3.44 113.55 114.49 2kj4 h SER 12 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kj4 h SER 12 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2kj4 h SER 12 CO 0.00 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 177.31 2kj4 n GLY 13 N 1.15 0.73 0.22 -0.77 0.00 0.59 -3.94 105.19 103.17 2kj4 n GLY 13 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 4.43 0.08 -0.66 1.61 5.08 -1.74 -2.02 114.58 121.36 2kj4 h GLU 14 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2kj4 h GLU 14 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2kj4 h GLU 14 CO 0.00 0.29 0.00 -1.71 -1.00 0.00 0.00 179.01 176.59 2kj4 n ASN 15 N -4.26 4.36 -4.59 1.42 2.85 -1.26 -4.71 115.26 109.07 2kj4 n ASN 15 Ca -0.02 -2.27 -0.43 0.00 -0.11 0.00 0.00 54.58 51.75 2kj4 n ASN 15 Cb 0.29 -0.53 -0.02 0.00 1.24 0.00 0.00 39.78 40.76 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 -1.52 2.58 -0.19 1.20 5.04 -0.76 -4.80 117.35 118.91 2kj4 s TYR 16 Ca 0.49 0.62 0.16 0.00 -2.44 0.00 0.00 57.07 55.90 2kj4 s TYR 16 Cb 0.29 -4.41 0.56 0.00 0.35 0.00 0.00 41.96 38.75 2kj4 s TYR 16 CO 0.27 -1.63 1.46 -3.47 -1.34 0.00 0.00 175.55 170.84 2kj4 n ASP 17 N 8.49 4.07 -4.32 4.32 2.03 -1.26 -4.81 116.55 125.07 2kj4 n ASP 17 Ca 0.13 -3.03 -0.29 0.00 0.52 0.00 0.00 54.79 52.12 2kj4 n ASP 17 Cb 0.49 -0.56 0.21 0.00 -0.72 0.00 0.00 41.12 40.53 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 -1.82 1.56 0.00 0.27 0.00 -1.26 -4.96 107.32 101.11 2kj4 s GLY 18 Ca 0.44 -0.59 0.21 0.00 0.00 0.00 0.00 44.72 44.77 2kj4 s GLY 18 CO 0.09 0.14 1.45 0.28 0.00 0.00 0.00 173.10 175.07 2kj4 n LYS 19 N -4.49 2.39 -1.69 2.90 5.02 -1.26 -4.69 118.16 116.33 2kj4 n LYS 19 Ca 0.08 -2.13 -0.42 0.00 -2.02 0.00 0.00 58.31 53.82 2kj4 n LYS 19 Cb 0.58 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.07 2kj4 n LYS 19 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2kj4 s ILE 20 N -1.35 2.69 0.00 -0.18 1.01 -1.26 -4.81 121.20 117.29 2kj4 s ILE 20 Ca 0.40 0.03 0.00 0.00 0.00 0.00 0.00 60.65 61.08 2kj4 s ILE 20 Cb 0.22 -3.02 0.00 0.00 0.01 0.00 0.00 42.46 39.67 2kj4 s ILE 20 CO 0.29 -0.00 0.51 -1.54 0.00 0.00 0.00 174.94 174.21 2kj4 n SER 21 N 6.32 0.83 -4.49 3.58 3.41 -1.26 0.17 113.62 122.18 2kj4 n SER 21 Ca 0.19 -1.26 -0.29 0.00 -0.26 0.00 0.00 58.87 57.25 2kj4 n SER 21 Cb 0.39 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.23 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 -0.26 1.78 0.50 4.33 1.02 -1.26 -0.68 119.74 125.16 2kj4 s LYS 22 Ca 0.00 -1.24 -0.02 0.00 0.02 0.00 0.00 55.97 54.72 2kj4 s LYS 22 Cb 0.00 -2.08 0.10 0.00 -0.52 0.00 0.00 37.83 35.33 2kj4 s LYS 22 CO 0.00 0.46 0.68 0.25 -0.92 0.00 0.00 175.35 175.82 2kj4 n THR 23 N 0.62 0.00 0.31 2.17 -2.24 -0.42 -4.71 114.28 110.00 2kj4 n THR 23 Ca -0.15 -0.91 0.20 0.00 -2.27 0.00 0.00 64.05 60.92 2kj4 n THR 23 Cb 0.53 -1.21 0.93 0.00 -2.10 0.00 0.00 70.33 68.49 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 -0.02 -0.78 -0.00 -0.95 0.16 114.93 113.33 2kj4 h MET 24 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.48 2kj4 h MET 24 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.37 2kj4 h MET 24 CO 0.22 0.01 -0.02 -1.13 -0.00 0.00 0.00 176.91 175.99 2kj4 n SER 25 N -3.12 2.08 -0.77 -0.10 3.41 -1.26 -4.93 113.62 108.93 2kj4 n SER 25 Ca -0.01 -1.68 -0.09 0.00 -0.26 0.00 0.00 58.87 56.83 2kj4 n SER 25 Cb 0.20 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 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 1.25 0.72 3.88 5.00 0.00 0.55 -5.00 105.19 111.59 2kj4 n GLY 26 Ca 0.17 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.16 3.37 -0.15 0.99 1.43 -1.26 -4.65 118.68 116.25 2kj4 s LEU 27 Ca 0.00 1.27 -0.25 0.00 -1.03 0.00 0.00 54.13 54.12 2kj4 s LEU 27 Cb 0.00 -4.28 -0.02 0.00 0.03 0.00 0.00 46.19 41.92 2kj4 s LEU 27 CO 0.00 -0.77 0.79 -0.70 0.23 0.00 0.00 176.35 175.90 2kj4 s GLU 28 N -5.01 4.31 0.51 1.70 2.56 -1.26 -1.30 118.70 120.22 2kj4 s GLU 28 Ca 0.53 0.96 -0.21 0.00 0.00 0.00 0.00 54.97 56.25 2kj4 s GLU 28 Cb -0.11 -3.55 -0.06 0.00 2.00 0.00 0.00 34.13 32.41 2kj4 s GLU 28 CO 0.50 -0.25 1.14 0.00 -0.56 0.00 0.00 175.26 176.09 2kj4 s GLN 30 N -3.08 4.24 0.12 0.00 0.74 0.93 -4.68 119.66 117.93 2kj4 s GLN 30 Ca 0.70 0.73 -0.32 0.00 0.05 0.00 0.00 55.36 56.52 2kj4 s GLN 30 Cb -0.25 -3.27 -0.11 0.00 1.10 0.00 0.00 33.01 30.47 2kj4 s GLN 30 CO 0.29 0.55 1.79 0.00 -0.55 0.00 0.00 175.29 177.37 2kj4 n ALA 31 N 2.05 2.03 0.01 1.58 0.00 -1.26 -4.55 120.51 120.37 2kj4 n ALA 31 Ca -0.09 0.34 0.15 0.00 0.00 0.00 0.00 53.44 53.84 2kj4 n ALA 31 Cb 0.51 -2.54 0.61 0.00 0.00 0.00 0.00 19.45 18.03 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 7.98 0.17 -0.00 0.00 4.06 -1.39 -1.48 115.95 125.29 2kj4 h TRP 32 Ca -0.46 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.50 2kj4 h TRP 32 Cb 1.23 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 2kj4 h TRP 32 CO 0.75 0.08 -0.22 -0.40 -3.56 0.00 0.00 178.44 175.09 2kj4 n ASP 33 N -4.44 0.38 -4.24 -3.49 5.75 -1.26 -4.38 116.55 104.87 2kj4 n ASP 33 Ca 0.08 -0.17 -0.32 0.00 -0.01 0.00 0.00 54.79 54.37 2kj4 n ASP 33 Cb 0.44 -0.07 -0.16 0.00 -1.03 0.00 0.00 41.12 40.30 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 -2.81 3.29 -0.16 -1.12 0.15 -0.56 -4.96 113.70 107.54 2kj4 s SER 34 Ca 0.18 -0.52 0.11 0.00 0.70 0.00 0.00 55.95 56.42 2kj4 s SER 34 Cb 0.19 -1.46 0.59 0.00 -1.71 0.00 0.00 66.02 63.62 2kj4 s SER 34 CO 0.57 0.14 1.41 0.00 1.20 0.00 0.00 173.24 176.56 2kj4 n GLN 35 N 3.65 3.70 -4.14 5.44 6.02 -1.26 -4.65 117.38 126.13 2kj4 n GLN 35 Ca -0.19 -2.26 -0.34 0.00 -0.01 0.00 0.00 57.00 54.20 2kj4 n GLN 35 Cb 0.53 -2.00 -0.07 0.00 1.02 0.00 0.00 30.24 29.71 2kj4 n GLN 35 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2kj4 s SER 36 N -0.60 5.62 0.13 1.08 0.01 -1.26 -3.44 113.70 115.24 2kj4 s SER 36 Ca 0.39 0.17 0.26 0.00 1.31 0.00 0.00 55.95 58.08 2kj4 s SER 36 Cb 0.29 -1.62 0.77 0.00 0.21 0.00 0.00 66.02 65.67 2kj4 s SER 36 CO 0.13 0.31 1.68 -0.81 0.41 0.00 0.00 173.24 174.95 2kj4 n PRO 37 N 1.45 0.19 -3.82 12.44 -0.04 -1.26 -4.83 135.00 139.14 2kj4 n PRO 37 Ca -0.15 0.12 -0.36 0.00 -0.04 0.00 0.00 63.50 63.08 2kj4 n PRO 37 Cb 0.53 -1.69 -0.06 0.00 -0.04 0.00 0.00 33.50 32.24 2kj4 n PRO 37 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kj4 s HIS 38 N -3.09 3.60 0.36 0.54 5.04 -1.22 -5.04 115.29 115.48 2kj4 s HIS 38 Ca 0.10 0.56 -0.07 0.00 -1.54 0.00 0.00 55.06 54.12 2kj4 s HIS 38 Cb 0.14 -1.97 -0.05 0.00 0.04 0.00 0.00 32.58 30.74 2kj4 s HIS 38 CO 0.62 0.69 0.66 0.00 -2.34 0.00 0.00 174.74 174.37 2kj4 s ALA 39 N -1.14 3.50 -0.30 1.58 0.00 -1.26 -4.53 121.76 119.61 2kj4 s ALA 39 Ca 0.21 -0.44 -0.21 0.00 0.00 0.00 0.00 51.96 51.51 2kj4 s ALA 39 Cb -0.13 -2.47 0.19 0.00 0.00 0.00 0.00 23.12 20.71 2kj4 s ALA 39 CO 0.10 0.06 1.31 -3.38 0.00 0.00 0.00 175.76 173.85 2kj4 s HIS 40 N -2.29 -0.13 -0.22 0.00 -3.43 -1.26 -5.05 115.29 102.91 2kj4 s HIS 40 Ca 0.47 0.28 0.02 0.00 -0.80 0.00 0.00 55.06 55.02 2kj4 s HIS 40 Cb -0.10 0.30 0.31 0.00 -1.43 0.00 0.00 32.58 31.66 2kj4 s HIS 40 CO 0.33 -0.06 1.49 0.41 -2.00 0.00 0.00 174.74 174.91 2kj4 n GLY 41 N 2.34 3.28 3.26 -1.38 0.00 -1.26 -4.65 105.19 106.77 2kj4 n GLY 41 Ca -0.14 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.23 4.89 -2.45 1.61 4.02 -1.26 -5.01 117.16 118.73 2kj4 n TYR 42 Ca 0.29 -3.94 -0.42 0.00 -0.01 0.00 0.00 57.90 53.81 2kj4 n TYR 42 Cb 1.02 -1.53 -0.03 0.00 -0.02 0.00 0.00 39.34 38.79 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 -1.38 4.25 0.40 -0.72 1.09 -1.26 -4.63 121.20 118.95 2kj4 s ILE 43 Ca 0.30 1.57 0.30 0.00 -1.10 0.00 0.00 60.65 61.72 2kj4 s ILE 43 Cb -0.08 -4.01 0.32 0.00 -1.06 0.00 0.00 42.46 37.63 2kj4 s ILE 43 CO -0.09 -0.02 2.10 -0.65 -0.10 0.00 0.00 174.94 176.18 2kj4 h PRO 44 N 7.55 0.00 0.00 2.79 0.11 -1.86 -2.34 132.00 138.25 2kj4 h PRO 44 Ca -0.33 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 2kj4 h PRO 44 Cb 1.15 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2kj4 h PRO 44 CO 0.89 0.09 -0.05 0.77 -0.21 0.00 0.00 178.00 179.49 2kj4 h SER 45 N 0.00 0.00 0.00 -2.05 0.02 -1.91 -3.08 113.55 106.53 2kj4 h SER 45 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kj4 h SER 45 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.86 2kj4 h SER 45 CO 0.01 0.05 -1.30 2.29 -1.14 0.00 0.00 176.83 176.74 2kj4 n LYS 46 N -3.13 0.86 -3.79 3.45 2.85 -0.90 -4.62 118.16 112.88 2kj4 n LYS 46 Ca 0.02 -0.08 -0.28 0.00 -1.05 0.00 0.00 58.31 56.93 2kj4 n LYS 46 Cb 0.45 -1.38 -0.11 0.00 -0.65 0.00 0.00 35.03 33.34 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 -1.75 2.89 -0.01 5.58 3.72 -1.11 -4.97 117.46 121.81 2kj4 n PHE 47 Ca 0.00 -4.20 -0.16 0.00 -0.05 0.00 0.00 57.45 53.04 2kj4 n PHE 47 Cb 0.37 -0.54 -0.10 0.00 -0.94 0.00 0.00 39.48 38.27 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 5.24 0.36 0.00 -1.08 0.13 -1.82 -3.26 132.00 131.57 2kj4 h PRO 48 Ca 0.17 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2kj4 h PRO 48 Cb 0.76 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2kj4 h PRO 48 CO 0.70 1.03 0.00 0.27 -0.23 0.00 0.00 178.00 179.76 2kj4 n ASN 49 N -4.32 0.00 -0.65 1.44 6.94 -1.26 -2.18 115.26 115.23 2kj4 n ASN 49 Ca -0.10 -0.60 0.13 0.00 -0.02 0.00 0.00 54.58 53.99 2kj4 n ASN 49 Cb 0.60 -0.09 0.33 0.00 -2.36 0.00 0.00 39.78 38.25 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 -1.09 1.85 -3.75 -3.83 4.76 -1.23 -4.96 118.16 109.91 2kj4 n LYS 50 Ca 0.18 -1.31 -0.25 0.00 -2.87 0.00 0.00 58.31 54.05 2kj4 n LYS 50 Cb 0.13 -1.47 0.05 0.00 -1.84 0.00 0.00 35.03 31.89 2kj4 n LYS 50 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2kj4 n ASN 51 N 0.57 -4.04 -4.56 4.39 4.13 -0.93 -4.47 115.26 110.36 2kj4 n ASN 51 Ca 0.16 -0.72 -0.32 0.00 1.68 0.00 0.00 54.58 55.38 2kj4 n ASN 51 Cb 0.46 -4.30 -0.04 0.00 -1.54 0.00 0.00 39.78 34.36 2kj4 n ASN 51 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2kj4 s LEU 52 N -7.06 3.22 0.02 3.41 1.02 -1.26 -4.91 118.68 113.12 2kj4 s LEU 52 Ca 0.43 -0.26 0.05 0.00 0.02 0.00 0.00 54.13 54.37 2kj4 s LEU 52 Cb -0.21 -2.55 -0.02 0.00 0.02 0.00 0.00 46.19 43.44 2kj4 s LEU 52 CO 0.79 -2.59 -0.15 -0.54 0.02 0.00 0.00 176.35 173.89 2kj4 s LYS 53 N 7.01 1.08 2.74 1.70 1.02 -1.26 -4.76 119.74 127.27 2kj4 s LYS 53 Ca 0.69 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 56.02 2kj4 s LYS 53 Cb -0.09 -1.08 0.00 0.00 -0.52 0.00 0.00 37.83 36.14 2kj4 s LYS 53 CO 0.08 0.28 0.00 1.63 -0.92 0.00 0.00 175.35 176.42 2kj4 n LYS 54 N 2.28 0.00 -2.22 1.68 4.76 -1.26 -1.66 118.16 121.73 2kj4 n LYS 54 Ca -0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.28 2kj4 n LYS 54 Cb 0.55 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.78 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 4.74 1.59 -4.81 4.39 6.94 -1.26 -1.02 115.26 125.83 2kj4 n ASN 55 Ca 0.00 -2.21 -0.38 0.00 -0.02 0.00 0.00 54.58 51.97 2kj4 n ASN 55 Cb 0.00 -0.41 -0.06 0.00 -2.36 0.00 0.00 39.78 36.95 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 -2.43 3.79 0.14 -2.53 2.02 -0.67 -4.44 117.35 113.24 2kj4 s TYR 56 Ca 0.32 1.30 -0.31 0.00 -0.37 0.00 0.00 57.07 58.00 2kj4 s TYR 56 Cb 0.35 -2.52 -0.10 0.00 -0.40 0.00 0.00 41.96 39.29 2kj4 s TYR 56 CO -0.08 0.55 1.67 0.00 -1.57 0.00 0.00 175.55 176.12 2kj4 s ARG 58 N 1.79 1.54 -0.47 0.00 1.81 -0.76 -4.82 118.95 118.04 2kj4 s ARG 58 Ca 0.74 -1.86 0.03 0.00 -1.72 0.00 0.00 55.73 52.92 2kj4 s ARG 58 Cb -0.44 -0.24 0.16 0.00 -0.45 0.00 0.00 34.95 33.97 2kj4 s ARG 58 CO 0.33 -0.37 0.32 1.21 -0.68 0.00 0.00 175.30 176.11 2kj4 s ASN 59 N -3.37 2.92 -0.08 0.23 3.84 -1.24 -1.83 114.94 115.42 2kj4 s ASN 59 Ca 0.36 -2.97 0.11 0.00 0.21 0.00 0.00 52.86 50.56 2kj4 s ASN 59 Cb 0.06 -0.83 -0.24 0.00 -0.55 0.00 0.00 41.25 39.70 2kj4 s ASN 59 CO 0.15 -0.20 0.53 -0.81 -2.79 0.00 0.00 177.10 173.98 2kj4 n PRO 60 N 3.04 0.66 0.03 0.43 -0.04 -1.26 -4.26 135.00 133.60 2kj4 n PRO 60 Ca 0.19 0.25 -0.07 0.00 -0.04 0.00 0.00 63.50 63.83 2kj4 n PRO 60 Cb 0.40 -1.74 -0.12 0.00 -0.04 0.00 0.00 33.50 32.00 2kj4 n PRO 60 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2kj4 h ASP 61 N 0.01 0.00 -3.26 3.54 2.03 -1.95 -3.48 116.42 113.30 2kj4 h ASP 61 Ca -0.34 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.93 2kj4 h ASP 61 Cb 2.05 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 40.57 2kj4 h ASP 61 CO 0.07 0.98 -0.09 0.54 -1.03 0.00 0.00 179.24 179.71 2kj4 n ARG 62 N -3.21 -0.24 -0.00 4.15 3.00 -1.26 -5.10 116.66 113.99 2kj4 n ARG 62 Ca -0.07 0.10 0.00 0.00 -0.01 0.00 0.00 57.85 57.87 2kj4 n ARG 62 Cb 0.98 -1.97 0.00 0.00 0.00 0.00 0.00 32.46 31.47 2kj4 n ARG 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kj4 n ASP 63 N -1.67 0.00 0.12 0.55 2.03 -1.26 -5.02 116.55 111.29 2kj4 n ASP 63 Ca -0.01 -0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.08 2kj4 n ASP 63 Cb 0.51 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.76 2kj4 n ASP 63 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2kj4 h LEU 64 N 0.00 0.70 -7.69 -2.67 4.07 -1.99 -3.47 115.31 104.26 2kj4 h LEU 64 Ca 0.00 -0.81 -0.19 0.00 0.08 0.00 0.00 57.88 56.96 2kj4 h LEU 64 Cb 0.00 -0.23 -0.25 0.00 1.08 0.00 0.00 40.66 41.26 2kj4 h LEU 64 CO 0.00 1.65 -0.59 -0.60 -1.08 0.00 0.00 178.44 177.82 2kj4 s ARG 65 N -2.61 0.21 0.84 1.13 3.52 -1.26 -4.80 118.95 115.98 2kj4 s ARG 65 Ca -0.09 -0.04 -0.15 0.00 -0.13 0.00 0.00 55.73 55.31 2kj4 s ARG 65 Cb 0.05 0.09 -0.05 0.00 -1.56 0.00 0.00 34.95 33.48 2kj4 s ARG 65 CO 0.91 -0.04 0.12 -2.30 -0.81 0.00 0.00 175.30 173.19 2kj4 n PRO 66 N 2.57 0.01 -3.61 5.12 -0.02 -1.25 -4.82 135.00 133.00 2kj4 n PRO 66 Ca -0.16 0.04 -0.09 0.00 -2.02 0.00 0.00 63.50 61.27 2kj4 n PRO 66 Cb 0.58 -1.57 0.02 0.00 -0.02 0.00 0.00 33.50 32.51 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 -2.72 -2.10 -3.49 6.00 4.27 -0.76 -1.22 117.44 117.43 2kj4 n TRP 67 Ca 0.06 -1.81 -0.12 0.00 -3.89 0.00 0.00 57.50 51.74 2kj4 n TRP 67 Cb 0.52 0.79 -0.03 0.00 -1.36 0.00 0.00 31.31 31.23 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 -3.57 3.27 0.11 0.00 0.08 -1.26 -1.27 117.98 115.33 2kj4 s PHE 69 Ca 0.01 1.62 -0.12 0.00 0.12 0.00 0.00 56.93 58.55 2kj4 s PHE 69 Cb -0.00 -2.94 -0.06 0.00 -0.57 0.00 0.00 43.02 39.45 2kj4 s PHE 69 CO -0.11 -0.30 0.48 0.95 -0.10 0.00 0.00 175.22 176.14 2kj4 s THR 70 N -2.03 4.96 -0.72 0.64 -4.23 -1.19 -0.05 115.64 113.03 2kj4 s THR 70 Ca 0.62 0.68 0.23 0.00 -1.18 0.00 0.00 61.69 62.04 2kj4 s THR 70 Cb -0.13 -3.70 0.23 0.00 1.34 0.00 0.00 72.50 70.25 2kj4 s THR 70 CO 0.17 0.27 1.71 0.35 -0.54 0.00 0.00 174.62 176.59 2kj4 n THR 71 N 0.88 0.68 -2.76 3.99 -2.24 -0.94 -4.51 114.28 109.38 2kj4 n THR 71 Ca -0.07 0.06 -0.40 0.00 -2.27 0.00 0.00 64.05 61.37 2kj4 n THR 71 Cb 0.52 -0.88 -0.05 0.00 -2.10 0.00 0.00 70.33 67.81 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 -3.92 7.55 0.26 3.42 -1.08 -1.26 -4.74 116.67 116.90 2kj4 s ASP 72 Ca 0.08 1.84 0.11 0.00 -0.52 0.00 0.00 52.55 54.06 2kj4 s ASP 72 Cb 0.11 -2.59 0.28 0.00 -1.46 0.00 0.00 42.92 39.27 2kj4 s ASP 72 CO 0.44 0.05 1.56 -0.65 0.52 0.00 0.00 175.17 177.09 2kj4 h PRO 73 N 4.88 0.00 0.07 4.34 0.11 -1.97 -3.25 132.00 136.18 2kj4 h PRO 73 Ca -0.44 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.39 2kj4 h PRO 73 Cb 1.21 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.34 2kj4 h PRO 73 CO 0.70 0.65 -1.15 -0.97 -0.21 0.00 0.00 178.00 177.01 2kj4 h ASN 74 N 0.00 0.81 -3.48 -2.05 -1.24 -1.96 -3.43 115.58 104.23 2kj4 h ASN 74 Ca -0.01 -0.72 -0.53 0.00 0.71 0.00 0.00 56.30 55.75 2kj4 h ASN 74 Cb 1.21 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.98 2kj4 h ASN 74 CO 0.08 1.52 0.21 -0.75 -1.29 0.00 0.00 177.43 177.21 2kj4 s LYS 75 N -3.10 4.56 -0.18 6.67 2.47 -1.23 -4.96 119.74 123.98 2kj4 s LYS 75 Ca -0.09 1.18 -0.24 0.00 -1.56 0.00 0.00 55.97 55.27 2kj4 s LYS 75 Cb 0.06 -3.35 -0.21 0.00 -1.46 0.00 0.00 37.83 32.88 2kj4 s LYS 75 CO 0.92 0.33 0.39 -0.09 0.16 0.00 0.00 175.35 177.06 2kj4 h ARG 76 N 5.36 0.00 -3.33 4.03 9.65 -1.83 -3.42 114.38 124.84 2kj4 h ARG 76 Ca -0.44 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 2kj4 h ARG 76 Cb 1.21 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.71 2kj4 h ARG 76 CO 0.70 0.97 0.05 1.67 2.80 0.00 0.00 179.97 186.16 2kj4 s TRP 77 N -2.30 0.07 -0.02 2.20 1.48 -1.26 -3.15 118.94 115.95 2kj4 s TRP 77 Ca -0.25 -0.47 -0.09 0.00 -1.06 0.00 0.00 56.10 54.23 2kj4 s TRP 77 Cb 0.03 0.44 0.01 0.00 -1.16 0.00 0.00 33.47 32.79 2kj4 s TRP 77 CO 0.61 -1.09 0.20 -1.21 -4.06 0.00 0.00 176.95 171.39 2kj4 s GLU 78 N -3.96 0.47 0.54 3.25 0.41 -0.40 -4.84 118.70 114.18 2kj4 s GLU 78 Ca 0.16 -0.17 -0.20 0.00 -0.41 0.00 0.00 54.97 54.35 2kj4 s GLU 78 Cb -0.03 0.20 -0.06 0.00 -1.78 0.00 0.00 34.13 32.47 2kj4 s GLU 78 CO 0.07 -0.11 1.14 0.71 -0.49 0.00 0.00 175.26 176.58 2kj4 s TYR 79 N -0.99 2.65 -0.19 1.61 2.02 -1.26 -0.98 117.35 120.19 2kj4 s TYR 79 Ca -0.11 1.54 -0.05 0.00 -0.37 0.00 0.00 57.07 58.08 2kj4 s TYR 79 Cb -0.06 -3.32 -0.03 0.00 -0.40 0.00 0.00 41.96 38.16 2kj4 s TYR 79 CO 0.02 -1.65 -0.00 0.00 -1.57 0.00 0.00 175.55 172.34 2kj4 s ASP 81 N 0.90 6.91 -0.12 0.00 2.15 -1.26 -4.59 116.67 120.66 2kj4 s ASP 81 Ca 0.01 -2.91 -0.06 0.00 0.43 0.00 0.00 52.55 50.02 2kj4 s ASP 81 Cb -0.14 -2.22 -0.04 0.00 -0.30 0.00 0.00 42.92 40.22 2kj4 s ASP 81 CO 0.02 -0.52 0.11 -0.63 -0.17 0.00 0.00 175.17 173.98 2kj4 s ILE 82 N -0.09 5.26 0.03 4.11 1.01 -1.26 -4.94 121.20 125.33 2kj4 s ILE 82 Ca 0.22 0.11 -0.35 0.00 0.00 0.00 0.00 60.65 60.63 2kj4 s ILE 82 Cb -0.10 -3.28 -0.18 0.00 0.01 0.00 0.00 42.46 38.91 2kj4 s ILE 82 CO -0.09 0.61 0.91 -2.65 0.00 0.00 0.00 174.94 173.72 2kj4 n PRO 83 N 2.07 0.00 -4.06 2.79 -0.02 -1.26 -4.75 135.00 129.77 2kj4 n PRO 83 Ca -0.20 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 60.97 2kj4 n PRO 83 Cb 0.55 -1.32 -0.06 0.00 -0.02 0.00 0.00 33.50 32.64 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 -0.17 3.05 -0.05 -0.52 1.70 -1.26 0.53 118.95 122.23 2kj4 s ARG 84 Ca 0.81 -0.55 0.06 0.00 -0.47 0.00 0.00 55.73 55.59 2kj4 s ARG 84 Cb -1.13 -2.84 -0.01 0.00 -0.57 0.00 0.00 34.95 30.39 2kj4 s ARG 84 CO 0.53 0.62 -0.24 0.00 -1.08 0.00 0.00 175.30 175.13 2kj4 n ALA 86 N 2.77 4.57 0.67 0.00 0.00 -1.26 -3.54 120.51 123.72 2kj4 n ALA 86 Ca -0.17 -2.40 0.08 0.00 0.00 0.00 0.00 53.44 50.95 2kj4 n ALA 86 Cb 0.52 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 18.81 2kj4 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50