#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 4.98 0.38 2.97 -7.23 -1.26 -5.03 120.40 115.22 2kj4 s VAL 2 Ca 0.00 -3.25 0.08 0.00 -1.81 0.00 0.00 61.98 56.99 2kj4 s VAL 2 Cb 0.00 -4.08 -0.02 0.00 0.56 0.00 0.00 36.38 32.84 2kj4 s VAL 2 CO 0.00 -1.06 0.37 -1.61 -0.31 0.00 0.00 175.10 172.49 2kj4 s GLU 3 N -0.73 2.68 -0.47 4.82 8.01 -1.26 -5.06 118.70 126.69 2kj4 s GLU 3 Ca 0.24 -1.37 0.06 0.00 0.01 0.00 0.00 54.97 53.92 2kj4 s GLU 3 Cb -0.11 -2.49 0.23 0.00 -4.31 0.00 0.00 34.13 27.45 2kj4 s GLU 3 CO -0.09 -0.06 0.79 0.34 0.01 0.00 0.00 175.26 176.25 2kj4 n PHE 4 N -1.51 -2.81 0.00 1.61 -0.00 -1.26 -5.00 117.46 108.48 2kj4 n PHE 4 Ca 0.01 -2.07 0.00 0.00 -0.00 0.00 0.00 57.45 55.39 2kj4 n PHE 4 Cb 0.60 1.18 0.00 0.00 -0.00 0.00 0.00 39.48 41.26 2kj4 n PHE 4 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2kj4 n SER 5 N 1.79 0.00 -1.47 -2.13 2.88 -1.26 -4.84 113.62 108.60 2kj4 n SER 5 Ca 0.13 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.54 2kj4 n SER 5 Cb 0.60 -0.08 0.12 0.00 -0.75 0.00 0.00 64.21 64.10 2kj4 n SER 5 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2kj4 n GLU 6 N -1.63 2.54 -0.24 -1.46 2.13 -1.26 -4.61 120.64 116.11 2kj4 n GLU 6 Ca 0.00 -3.61 -0.07 0.00 0.66 0.00 0.00 57.16 54.14 2kj4 n GLU 6 Cb 0.00 -1.99 0.07 0.00 0.27 0.00 0.00 31.44 29.78 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 1.55 1.10 0.00 5.31 4.39 -1.95 -3.46 114.58 121.52 2kj4 h GLU 7 Ca 0.26 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kj4 h GLU 7 Cb 1.38 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2kj4 h GLU 7 CO 0.55 0.98 0.00 0.00 -1.16 0.00 0.00 179.01 179.38 2kj4 s MET 9 N -1.73 3.68 -0.92 0.00 0.23 0.93 -4.90 119.30 116.59 2kj4 s MET 9 Ca 0.00 0.12 -0.19 0.00 -1.03 0.00 0.00 55.69 54.59 2kj4 s MET 9 Cb 0.00 -2.60 0.13 0.00 -1.53 0.00 0.00 34.83 30.83 2kj4 s MET 9 CO 0.00 0.18 1.11 -1.58 -2.03 0.00 0.00 175.02 172.70 2kj4 s HIS 10 N -2.10 3.12 0.00 3.16 2.46 -1.26 -4.66 115.29 116.01 2kj4 s HIS 10 Ca 0.46 -1.38 0.00 0.00 0.47 0.00 0.00 55.06 54.61 2kj4 s HIS 10 Cb -0.11 -4.27 0.00 0.00 -0.13 0.00 0.00 32.58 28.08 2kj4 s HIS 10 CO 0.29 -1.48 0.00 0.41 -2.47 0.00 0.00 174.74 171.49 2kj4 n GLY 11 N 5.45 3.77 0.20 1.59 0.00 -1.26 -0.49 105.19 114.45 2kj4 n GLY 11 Ca 0.23 0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.94 -3.46 113.55 114.40 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 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 2kj4 n GLY 13 N -0.12 0.62 0.26 -0.77 0.00 0.35 -4.47 105.19 101.07 2kj4 n GLY 13 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 2.81 0.37 -0.37 1.61 5.08 -1.72 -1.91 114.58 120.45 2kj4 h GLU 14 Ca 0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2kj4 h GLU 14 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2kj4 h GLU 14 CO 0.00 0.42 0.00 -1.71 -1.00 0.00 0.00 179.01 176.72 2kj4 n ASN 15 N -4.32 4.28 -4.74 1.42 2.85 -1.26 -4.34 115.26 109.15 2kj4 n ASN 15 Ca 0.00 -2.84 -0.41 0.00 -0.11 0.00 0.00 54.58 51.22 2kj4 n ASN 15 Cb 0.22 -0.55 -0.03 0.00 1.24 0.00 0.00 39.78 40.66 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 -2.54 3.33 -0.50 1.20 5.04 -0.72 -4.83 117.35 118.33 2kj4 s TYR 16 Ca 0.44 1.37 0.05 0.00 -2.44 0.00 0.00 57.07 56.49 2kj4 s TYR 16 Cb 0.33 -3.51 0.18 0.00 0.35 0.00 0.00 41.96 39.31 2kj4 s TYR 16 CO 0.13 -1.48 0.42 -3.47 -1.34 0.00 0.00 175.55 169.81 2kj4 n ASP 17 N 2.23 0.73 -4.78 4.32 2.03 -1.26 -4.89 116.55 114.94 2kj4 n ASP 17 Ca 0.04 -2.68 -0.22 0.00 0.52 0.00 0.00 54.79 52.45 2kj4 n ASP 17 Cb 0.44 -0.62 -0.05 0.00 -0.72 0.00 0.00 41.12 40.16 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 -0.58 1.82 0.00 0.27 0.00 -1.26 -4.48 107.32 103.08 2kj4 s GLY 18 Ca 0.31 -1.72 0.23 0.00 0.00 0.00 0.00 44.72 43.54 2kj4 s GLY 18 CO -0.18 -1.67 1.52 0.28 0.00 0.00 0.00 173.10 173.06 2kj4 n LYS 19 N -1.21 2.70 -2.51 2.90 5.02 -1.26 -4.62 118.16 119.17 2kj4 n LYS 19 Ca -0.03 -2.62 -0.41 0.00 -2.02 0.00 0.00 58.31 53.23 2kj4 n LYS 19 Cb 0.60 -1.57 -0.04 0.00 -0.02 0.00 0.00 35.03 34.01 2kj4 n LYS 19 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2kj4 s ILE 20 N -1.08 3.86 -0.05 -0.18 2.07 -1.26 -4.92 121.20 119.64 2kj4 s ILE 20 Ca 0.48 1.61 0.07 0.00 -1.41 0.00 0.00 60.65 61.40 2kj4 s ILE 20 Cb 0.25 -4.03 0.11 0.00 0.13 0.00 0.00 42.46 38.92 2kj4 s ILE 20 CO 0.33 0.28 1.02 -1.54 -1.91 0.00 0.00 174.94 173.12 2kj4 n SER 21 N 2.36 0.96 -4.16 4.50 3.41 -1.26 -1.22 113.62 118.20 2kj4 n SER 21 Ca 0.03 -2.33 -0.25 0.00 -0.26 0.00 0.00 58.87 56.06 2kj4 n SER 21 Cb 0.46 -0.26 -0.15 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 -1.10 1.41 0.25 4.33 -0.14 -1.26 -0.76 119.74 122.47 2kj4 s LYS 22 Ca 0.12 -0.62 -0.04 0.00 -1.36 0.00 0.00 55.97 54.07 2kj4 s LYS 22 Cb 0.10 -1.36 0.06 0.00 -1.68 0.00 0.00 37.83 34.95 2kj4 s LYS 22 CO 0.01 0.37 0.34 0.25 -0.76 0.00 0.00 175.35 175.56 2kj4 n THR 23 N 2.67 0.00 0.23 2.17 -2.24 -0.36 -4.65 114.28 112.10 2kj4 n THR 23 Ca -0.15 -0.29 0.09 0.00 -2.27 0.00 0.00 64.05 61.44 2kj4 n THR 23 Cb 0.54 -1.77 0.56 0.00 -2.10 0.00 0.00 70.33 67.56 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 -0.83 0.77 114.93 114.09 2kj4 h MET 24 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.59 2kj4 h MET 24 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.92 2kj4 h MET 24 CO 0.08 0.21 -0.16 -1.13 -0.00 0.00 0.00 176.91 175.92 2kj4 n SER 25 N -3.68 0.61 -0.45 -0.10 3.41 -1.26 -4.91 113.62 107.23 2kj4 n SER 25 Ca -0.01 -0.61 -0.05 0.00 -0.26 0.00 0.00 58.87 57.93 2kj4 n SER 25 Cb 0.33 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.25 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 1.31 0.58 3.89 5.00 0.00 0.26 -5.02 105.19 111.22 2kj4 n GLY 26 Ca 0.13 -0.78 -0.29 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 -1.26 3.12 0.06 0.99 1.43 -1.26 -4.60 118.68 117.16 2kj4 s LEU 27 Ca 0.00 1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 53.87 2kj4 s LEU 27 Cb 0.00 -3.95 -0.05 0.00 0.03 0.00 0.00 46.19 42.23 2kj4 s LEU 27 CO 0.00 -1.10 1.03 -0.70 0.23 0.00 0.00 176.35 175.81 2kj4 s GLU 28 N -5.17 4.57 0.30 1.70 2.56 -1.26 -1.22 118.70 120.18 2kj4 s GLU 28 Ca 0.55 1.53 -0.20 0.00 0.00 0.00 0.00 54.97 56.86 2kj4 s GLU 28 Cb -0.11 -3.40 -0.09 0.00 2.00 0.00 0.00 34.13 32.53 2kj4 s GLU 28 CO 0.50 -0.01 0.80 0.00 -0.56 0.00 0.00 175.26 175.99 2kj4 s GLN 30 N -2.45 4.39 0.29 0.00 0.74 0.12 -4.75 119.66 117.99 2kj4 s GLN 30 Ca 0.50 0.98 -0.30 0.00 0.05 0.00 0.00 55.36 56.59 2kj4 s GLN 30 Cb -0.14 -3.50 -0.12 0.00 1.10 0.00 0.00 33.01 30.34 2kj4 s GLN 30 CO 0.19 -0.11 1.49 0.00 -0.55 0.00 0.00 175.29 176.31 2kj4 n ALA 31 N 4.41 1.97 0.26 1.58 0.00 -1.26 -4.33 120.51 123.15 2kj4 n ALA 31 Ca 0.02 0.38 0.15 0.00 0.00 0.00 0.00 53.44 53.99 2kj4 n ALA 31 Cb 0.50 -2.38 0.86 0.00 0.00 0.00 0.00 19.45 18.43 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 4.15 0.00 0.00 0.00 4.06 -1.36 0.95 115.95 123.75 2kj4 h TRP 32 Ca -0.47 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.48 2kj4 h TRP 32 Cb 1.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.41 2kj4 h TRP 32 CO 0.56 0.00 -0.57 0.22 -3.56 0.00 0.00 178.44 175.09 2kj4 h ASP 33 N 0.00 0.00 -3.31 -3.49 3.58 -1.88 -3.40 116.42 107.92 2kj4 h ASP 33 Ca 0.04 -0.06 -0.57 0.00 0.42 0.00 0.00 57.03 56.86 2kj4 h ASP 33 Cb 0.19 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.18 2kj4 h ASP 33 CO -0.00 0.03 0.38 -0.55 -2.88 0.00 0.00 179.24 176.21 2kj4 s SER 34 N -5.20 7.02 0.00 2.28 0.15 0.33 -4.90 113.70 113.38 2kj4 s SER 34 Ca 0.04 1.25 0.20 0.00 0.70 0.00 0.00 55.95 58.14 2kj4 s SER 34 Cb 0.10 -2.47 0.55 0.00 -1.71 0.00 0.00 66.02 62.48 2kj4 s SER 34 CO 0.73 -0.36 1.44 1.67 1.20 0.00 0.00 173.24 177.92 2kj4 n GLN 35 N 4.94 2.14 -4.16 5.44 -0.06 -1.26 -4.76 117.38 119.66 2kj4 n GLN 35 Ca 0.04 -1.73 -0.17 0.00 -2.00 0.00 0.00 57.00 53.15 2kj4 n GLN 35 Cb 0.49 -1.44 -0.15 0.00 -4.06 0.00 0.00 30.24 25.09 2kj4 n GLN 35 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 2kj4 s SER 36 N -1.36 0.67 0.10 1.69 0.01 -1.26 -3.01 113.70 110.55 2kj4 s SER 36 Ca 0.35 -0.10 0.05 0.00 1.31 0.00 0.00 55.95 57.56 2kj4 s SER 36 Cb 0.19 -0.14 -0.22 0.00 0.21 0.00 0.00 66.02 66.06 2kj4 s SER 36 CO 0.27 0.04 1.23 1.55 0.41 0.00 0.00 173.24 176.73 2kj4 h PRO 37 N 6.28 0.05 -5.12 12.44 0.13 -1.88 -3.46 132.00 140.45 2kj4 h PRO 37 Ca -0.31 -0.08 -0.62 0.00 -0.87 0.00 0.00 66.00 64.12 2kj4 h PRO 37 Cb 1.18 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 2kj4 h PRO 37 CO 0.50 1.02 -0.50 -1.01 -0.23 0.00 0.00 178.00 177.77 2kj4 s HIS 38 N -2.70 3.33 0.10 1.56 3.76 -1.26 -5.05 115.29 115.04 2kj4 s HIS 38 Ca -0.00 0.24 -0.31 0.00 -0.15 0.00 0.00 55.06 54.84 2kj4 s HIS 38 Cb 0.09 -2.25 -0.07 0.00 1.11 0.00 0.00 32.58 31.47 2kj4 s HIS 38 CO 0.83 0.10 1.23 0.00 -0.85 0.00 0.00 174.74 176.05 2kj4 s ALA 39 N 0.95 3.44 -0.04 -1.40 0.00 -1.17 -4.60 121.76 118.93 2kj4 s ALA 39 Ca 0.08 0.92 -0.07 0.00 0.00 0.00 0.00 51.96 52.89 2kj4 s ALA 39 Cb -0.13 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.55 2kj4 s ALA 39 CO 0.03 -0.45 0.16 -3.38 0.00 0.00 0.00 175.76 172.13 2kj4 s HIS 40 N 0.78 -0.11 -0.49 0.00 -3.43 -1.26 -5.03 115.29 105.75 2kj4 s HIS 40 Ca 0.58 0.25 0.06 0.00 -0.80 0.00 0.00 55.06 55.16 2kj4 s HIS 40 Cb -0.32 0.03 0.42 0.00 -1.43 0.00 0.00 32.58 31.28 2kj4 s HIS 40 CO 0.31 -0.16 1.27 0.41 -2.00 0.00 0.00 174.74 174.57 2kj4 n GLY 41 N 2.43 2.61 3.19 -1.38 0.00 -1.26 -4.58 105.19 106.20 2kj4 n GLY 41 Ca -0.16 -0.53 -0.43 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 0.13 4.13 -2.66 1.61 4.02 -1.26 -5.00 117.16 118.13 2kj4 n TYR 42 Ca 0.20 -3.46 -0.43 0.00 -0.01 0.00 0.00 57.90 54.21 2kj4 n TYR 42 Cb 0.88 -1.50 -0.02 0.00 -0.02 0.00 0.00 39.34 38.67 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 -1.86 4.72 -0.71 -0.72 -1.09 -1.26 -4.82 121.20 115.45 2kj4 s ILE 43 Ca 0.31 2.01 0.20 0.00 -2.23 0.00 0.00 60.65 60.93 2kj4 s ILE 43 Cb -0.04 -4.29 0.19 0.00 -1.58 0.00 0.00 42.46 36.74 2kj4 s ILE 43 CO -0.01 -0.06 1.60 -2.65 -1.23 0.00 0.00 174.94 172.59 2kj4 n PRO 44 N 5.46 0.11 0.05 2.79 -0.02 -1.26 -1.30 135.00 140.82 2kj4 n PRO 44 Ca 0.10 0.35 -0.08 0.00 -2.02 0.00 0.00 63.50 61.84 2kj4 n PRO 44 Cb 0.48 -1.71 -0.13 0.00 -0.02 0.00 0.00 33.50 32.13 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 0.04 0.00 2.55 0.02 -1.96 -3.23 113.55 110.98 2kj4 h SER 45 Ca 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2kj4 h SER 45 Cb 0.31 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2kj4 h SER 45 CO 0.00 1.04 -1.28 2.29 -1.14 0.00 0.00 176.83 177.74 2kj4 n LYS 46 N -3.31 0.84 -3.68 3.45 -0.00 -0.86 -4.48 118.16 110.13 2kj4 n LYS 46 Ca -0.04 -0.07 -0.28 0.00 -0.00 0.00 0.00 58.31 57.92 2kj4 n LYS 46 Cb 0.97 -1.39 -0.10 0.00 -0.00 0.00 0.00 35.03 34.51 2kj4 n LYS 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2kj4 n PHE 47 N -1.74 3.46 0.06 5.58 3.72 -0.42 -4.92 117.46 123.21 2kj4 n PHE 47 Ca 0.00 -4.23 -0.07 0.00 -0.05 0.00 0.00 57.45 53.10 2kj4 n PHE 47 Cb 0.37 -0.61 -0.10 0.00 -0.94 0.00 0.00 39.48 38.19 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 4.85 0.00 0.00 -1.08 0.13 -1.78 -3.34 132.00 130.78 2kj4 h PRO 48 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 2kj4 h PRO 48 Cb 0.71 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.84 2kj4 h PRO 48 CO 0.78 0.98 -0.10 -0.97 -0.23 0.00 0.00 178.00 178.46 2kj4 h ASN 49 N 0.00 0.00 -0.31 1.44 -1.24 -1.91 -2.69 115.58 110.87 2kj4 h ASN 49 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2kj4 h ASN 49 Cb 1.73 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.78 2kj4 h ASN 49 CO 0.13 0.10 0.00 0.29 -1.29 0.00 0.00 177.43 176.66 2kj4 n LYS 50 N -4.37 1.76 -3.69 6.67 4.76 -1.25 -4.85 118.16 117.20 2kj4 n LYS 50 Ca -0.03 -1.13 -0.24 0.00 -2.87 0.00 0.00 58.31 54.04 2kj4 n LYS 50 Cb 0.18 -1.27 0.06 0.00 -1.84 0.00 0.00 35.03 32.15 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 0.41 -4.09 -4.56 4.39 5.15 -1.02 -4.45 115.26 111.10 2kj4 n ASN 51 Ca 0.11 -0.68 -0.34 0.00 -0.60 0.00 0.00 54.58 53.06 2kj4 n ASN 51 Cb 0.28 -4.50 -0.04 0.00 -0.53 0.00 0.00 39.78 34.99 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 -7.01 3.27 -0.01 1.20 2.01 -1.26 -4.92 118.68 111.96 2kj4 s LEU 52 Ca 0.39 -0.58 0.02 0.00 0.01 0.00 0.00 54.13 53.97 2kj4 s LEU 52 Cb -0.18 -2.55 -0.03 0.00 0.01 0.00 0.00 46.19 43.43 2kj4 s LEU 52 CO 0.78 -2.28 -0.04 -0.54 1.01 0.00 0.00 176.35 175.28 2kj4 s LYS 53 N 6.42 2.66 0.00 1.70 -0.14 -1.26 -4.93 119.74 124.19 2kj4 s LYS 53 Ca 0.60 -0.66 0.00 0.00 -1.36 0.00 0.00 55.97 54.55 2kj4 s LYS 53 Cb -0.07 -2.57 0.00 0.00 -1.68 0.00 0.00 37.83 33.51 2kj4 s LYS 53 CO 0.04 0.62 0.00 1.63 -0.76 0.00 0.00 175.35 176.88 2kj4 n LYS 54 N 1.57 0.00 -1.87 1.68 4.76 -1.26 -1.23 118.16 121.81 2kj4 n LYS 54 Ca -0.15 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.30 2kj4 n LYS 54 Cb 0.53 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.76 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 3.29 1.38 -4.82 4.39 6.94 -1.26 -0.96 115.26 124.22 2kj4 n ASN 55 Ca 0.00 -2.21 -0.36 0.00 -0.02 0.00 0.00 54.58 51.99 2kj4 n ASN 55 Cb 0.00 -0.37 -0.06 0.00 -2.36 0.00 0.00 39.78 36.99 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 -1.55 3.61 0.08 -2.53 2.02 -0.36 -4.35 117.35 114.26 2kj4 s TYR 56 Ca 0.33 1.37 -0.31 0.00 -0.37 0.00 0.00 57.07 58.09 2kj4 s TYR 56 Cb 0.37 -2.61 -0.08 0.00 -0.40 0.00 0.00 41.96 39.23 2kj4 s TYR 56 CO -0.11 0.30 1.54 0.00 -1.57 0.00 0.00 175.55 175.71 2kj4 s ARG 58 N 2.07 1.46 -0.32 0.00 1.81 -0.30 -4.66 118.95 119.01 2kj4 s ARG 58 Ca 0.70 -1.81 -0.01 0.00 -1.72 0.00 0.00 55.73 52.89 2kj4 s ARG 58 Cb -0.38 -0.10 0.11 0.00 -0.45 0.00 0.00 34.95 34.12 2kj4 s ARG 58 CO 0.31 -0.38 0.13 1.21 -0.68 0.00 0.00 175.30 175.88 2kj4 s ASN 59 N -3.32 3.84 -0.09 0.23 3.84 -1.21 -1.01 114.94 117.23 2kj4 s ASN 59 Ca 0.37 -1.74 0.05 0.00 0.21 0.00 0.00 52.86 51.75 2kj4 s ASN 59 Cb 0.06 -0.77 -0.24 0.00 -0.55 0.00 0.00 41.25 39.75 2kj4 s ASN 59 CO 0.15 -0.40 0.48 -0.81 -2.79 0.00 0.00 177.10 173.74 2kj4 n PRO 60 N 4.70 0.69 0.00 0.43 -0.04 -1.26 -3.74 135.00 135.78 2kj4 n PRO 60 Ca -0.00 0.26 0.14 0.00 -0.04 0.00 0.00 63.50 63.86 2kj4 n PRO 60 Cb 0.41 -1.74 0.59 0.00 -0.04 0.00 0.00 33.50 32.72 2kj4 n PRO 60 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2kj4 n ASP 61 N -3.21 0.75 -0.78 3.54 5.75 -1.26 -4.91 116.55 116.42 2kj4 n ASP 61 Ca -0.25 -0.89 -0.10 0.00 -0.01 0.00 0.00 54.79 53.55 2kj4 n ASP 61 Cb 1.05 -0.01 -0.04 0.00 -1.03 0.00 0.00 41.12 41.09 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 -0.66 -0.73 -0.08 0.11 3.00 -1.26 -5.02 116.66 112.02 2kj4 n ARG 62 Ca 0.16 0.86 -0.05 0.00 -0.01 0.00 0.00 57.85 58.80 2kj4 n ARG 62 Cb 0.29 -4.79 0.05 0.00 0.00 0.00 0.00 32.46 28.00 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 0.31 -1.98 0.09 0.55 2.03 -1.26 -4.93 116.55 111.35 2kj4 n ASP 63 Ca -0.10 -0.30 -0.09 0.00 0.52 0.00 0.00 54.79 54.82 2kj4 n ASP 63 Cb 0.34 -0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.54 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 0.22 -7.82 -2.67 -0.00 -1.96 -3.45 115.31 99.64 2kj4 h LEU 64 Ca -0.07 -0.19 -0.23 0.00 -0.00 0.00 0.00 57.88 57.39 2kj4 h LEU 64 Cb 0.22 -0.07 -0.26 0.00 -0.00 0.00 0.00 40.66 40.55 2kj4 h LEU 64 CO 0.04 1.02 -0.72 -0.13 -0.00 0.00 0.00 178.44 178.66 2kj4 s ARG 65 N -3.10 0.13 0.67 1.13 0.52 -1.26 -4.93 118.95 112.11 2kj4 s ARG 65 Ca -0.02 -0.18 -0.17 0.00 -0.52 0.00 0.00 55.73 54.84 2kj4 s ARG 65 Cb 0.10 -0.03 -0.02 0.00 0.52 0.00 0.00 34.95 35.52 2kj4 s ARG 65 CO 0.83 0.00 1.02 -2.30 0.02 0.00 0.00 175.30 174.87 2kj4 n PRO 66 N 2.70 0.74 -2.53 3.54 -0.02 -1.26 -4.84 135.00 133.32 2kj4 n PRO 66 Ca -0.15 0.30 -0.06 0.00 -2.02 0.00 0.00 63.50 61.58 2kj4 n PRO 66 Cb 0.59 -2.25 -0.02 0.00 -0.02 0.00 0.00 33.50 31.80 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 -2.15 -0.57 -3.56 6.00 4.27 -0.18 -1.39 117.44 119.87 2kj4 n TRP 67 Ca 0.14 -0.85 -0.11 0.00 -3.89 0.00 0.00 57.50 52.79 2kj4 n TRP 67 Cb 0.49 0.15 -0.03 0.00 -1.36 0.00 0.00 31.31 30.56 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 -3.80 3.57 -0.01 0.00 0.08 -1.26 -0.58 117.98 115.99 2kj4 s PHE 69 Ca 0.04 1.61 -0.15 0.00 0.12 0.00 0.00 56.93 58.55 2kj4 s PHE 69 Cb -0.01 -2.80 -0.06 0.00 -0.57 0.00 0.00 43.02 39.58 2kj4 s PHE 69 CO -0.09 0.16 0.41 0.99 -0.10 0.00 0.00 175.22 176.59 2kj4 s THR 70 N -1.75 5.04 -1.63 0.64 2.01 0.11 0.10 115.64 120.17 2kj4 s THR 70 Ca 0.51 0.84 0.29 0.00 0.31 0.00 0.00 61.69 63.64 2kj4 s THR 70 Cb -0.15 -3.71 0.46 0.00 0.01 0.00 0.00 72.50 69.10 2kj4 s THR 70 CO 0.20 0.56 1.87 0.41 -0.69 0.00 0.00 174.62 176.98 2kj4 n THR 71 N 1.96 0.00 -2.85 -0.82 -1.04 -0.95 -4.63 114.28 105.94 2kj4 n THR 71 Ca -0.14 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.40 2kj4 n THR 71 Cb 0.52 -0.12 -0.04 0.00 -1.82 0.00 0.00 70.33 68.87 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 -2.48 7.03 0.28 8.00 2.15 -1.26 -4.89 116.67 125.50 2kj4 s ASP 72 Ca 0.29 1.26 0.01 0.00 0.43 0.00 0.00 52.55 54.54 2kj4 s ASP 72 Cb 0.20 -2.48 0.68 0.00 -0.30 0.00 0.00 42.92 41.02 2kj4 s ASP 72 CO 0.47 -0.39 1.43 -2.65 -0.17 0.00 0.00 175.17 173.86 2kj4 n PRO 73 N 5.09 -0.07 0.10 4.34 -0.02 -1.26 -1.15 135.00 142.02 2kj4 n PRO 73 Ca 0.05 1.37 0.06 0.00 -2.02 0.00 0.00 63.50 62.96 2kj4 n PRO 73 Cb 0.49 -2.17 -0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2kj4 n PRO 73 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 2kj4 h ASN 74 N 0.00 0.00 -3.44 2.55 7.08 -1.96 -3.45 115.58 116.36 2kj4 h ASN 74 Ca 0.54 0.00 -0.61 0.00 -3.08 0.00 0.00 56.30 53.16 2kj4 h ASN 74 Cb 1.10 0.00 -0.13 0.00 -2.08 0.00 0.00 38.32 37.22 2kj4 h ASN 74 CO -0.87 0.30 -0.42 -0.75 -2.08 0.00 0.00 177.43 173.62 2kj4 s LYS 75 N -3.11 4.15 -0.15 4.14 2.47 -0.30 -4.96 119.74 121.97 2kj4 s LYS 75 Ca 0.00 -0.11 -0.18 0.00 -1.56 0.00 0.00 55.97 54.12 2kj4 s LYS 75 Cb 0.08 -3.49 -0.15 0.00 -1.46 0.00 0.00 37.83 32.81 2kj4 s LYS 75 CO 0.77 0.13 0.30 -0.09 0.16 0.00 0.00 175.35 176.63 2kj4 h ARG 76 N 7.14 0.00 -4.72 4.03 2.43 -1.86 -3.38 114.38 118.02 2kj4 h ARG 76 Ca -0.39 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.52 2kj4 h ARG 76 Cb 1.16 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.57 2kj4 h ARG 76 CO 0.71 0.64 -0.67 1.67 -1.51 0.00 0.00 179.97 180.81 2kj4 s TRP 77 N -2.13 1.09 -0.05 2.20 1.48 -1.26 -0.71 118.94 119.56 2kj4 s TRP 77 Ca -0.17 -1.02 -0.08 0.00 -1.06 0.00 0.00 56.10 53.77 2kj4 s TRP 77 Cb 0.01 -0.63 0.02 0.00 -1.16 0.00 0.00 33.47 31.71 2kj4 s TRP 77 CO 0.45 -0.23 0.20 -1.21 -4.06 0.00 0.00 176.95 172.10 2kj4 s GLU 78 N -3.91 0.33 0.58 3.25 0.41 0.26 -4.75 118.70 114.87 2kj4 s GLU 78 Ca 0.21 0.09 -0.18 0.00 -0.41 0.00 0.00 54.97 54.68 2kj4 s GLU 78 Cb 0.06 0.15 -0.04 0.00 -1.78 0.00 0.00 34.13 32.52 2kj4 s GLU 78 CO 0.02 -0.06 1.16 0.71 -0.49 0.00 0.00 175.26 176.59 2kj4 s TYR 79 N -0.35 2.54 -0.01 1.61 2.02 -1.26 -0.76 117.35 121.14 2kj4 s TYR 79 Ca -0.04 1.54 0.03 0.00 -0.37 0.00 0.00 57.07 58.23 2kj4 s TYR 79 Cb -0.03 -3.34 -0.03 0.00 -0.40 0.00 0.00 41.96 38.15 2kj4 s TYR 79 CO 0.01 -1.85 -0.08 0.00 -1.57 0.00 0.00 175.55 172.06 2kj4 s ASP 81 N -1.28 6.76 -0.09 0.00 2.15 -1.26 -4.66 116.67 118.28 2kj4 s ASP 81 Ca 0.16 -2.42 -0.18 0.00 0.43 0.00 0.00 52.55 50.54 2kj4 s ASP 81 Cb -0.11 -2.34 -0.04 0.00 -0.30 0.00 0.00 42.92 40.12 2kj4 s ASP 81 CO 0.06 -0.86 0.48 -0.63 -0.17 0.00 0.00 175.17 174.05 2kj4 s ILE 82 N 1.70 5.14 0.04 4.11 -1.09 -1.26 -5.00 121.20 124.83 2kj4 s ILE 82 Ca 0.30 0.97 -0.38 0.00 -2.23 0.00 0.00 60.65 59.31 2kj4 s ILE 82 Cb -0.06 -3.82 -0.19 0.00 -1.58 0.00 0.00 42.46 36.81 2kj4 s ILE 82 CO -0.08 0.36 1.11 -2.65 -1.23 0.00 0.00 174.94 172.45 2kj4 n PRO 83 N 3.37 0.32 -4.64 2.79 -0.02 -1.26 -4.87 135.00 130.68 2kj4 n PRO 83 Ca -0.08 0.11 -0.31 0.00 -2.02 0.00 0.00 63.50 61.21 2kj4 n PRO 83 Cb 0.52 -1.62 -0.17 0.00 -0.02 0.00 0.00 33.50 32.21 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 0.05 2.76 0.09 -0.52 3.00 -1.26 -0.05 118.95 123.02 2kj4 s ARG 84 Ca 0.87 -0.76 -0.16 0.00 -1.00 0.00 0.00 55.73 54.68 2kj4 s ARG 84 Cb -1.16 -2.25 -0.07 0.00 0.00 0.00 0.00 34.95 31.48 2kj4 s ARG 84 CO 0.54 -0.02 0.52 0.00 0.00 0.00 0.00 175.30 176.35 2kj4 n ALA 86 N 1.33 5.36 -1.83 0.00 0.00 -1.26 -4.99 120.51 119.13 2kj4 n ALA 86 Ca -0.09 -3.64 0.00 0.00 0.00 0.00 0.00 53.44 49.71 2kj4 n ALA 86 Cb 0.52 -3.51 0.00 0.00 0.00 0.00 0.00 19.45 16.45 2kj4 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50