#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 3.75 -0.13 -0.72 -7.23 -1.26 -5.03 120.40 109.78 2kj4 s VAL 2 Ca 0.00 -0.89 -0.12 0.00 -1.81 0.00 0.00 61.98 59.16 2kj4 s VAL 2 Cb 0.00 -2.69 -0.25 0.00 0.56 0.00 0.00 36.38 33.99 2kj4 s VAL 2 CO 0.00 0.28 0.40 -0.33 -0.31 0.00 0.00 175.10 175.13 2kj4 h GLU 3 N 4.08 0.22 -2.85 4.82 3.07 -2.09 -3.44 114.58 118.39 2kj4 h GLU 3 Ca -0.48 -0.38 -0.59 0.00 -0.50 0.00 0.00 59.36 57.41 2kj4 h GLU 3 Cb 1.17 0.14 -0.40 0.00 -0.84 0.00 0.00 28.75 28.82 2kj4 h GLU 3 CO 0.55 1.18 -0.79 0.12 -1.40 0.00 0.00 179.01 178.67 2kj4 s PHE 4 N -2.51 1.26 -0.36 4.33 5.36 -1.26 -4.88 117.98 119.92 2kj4 s PHE 4 Ca -0.23 -1.88 0.14 0.00 -0.96 0.00 0.00 56.93 54.01 2kj4 s PHE 4 Cb 0.06 -1.36 0.42 0.00 -0.34 0.00 0.00 43.02 41.80 2kj4 s PHE 4 CO 0.74 -0.82 0.91 0.43 -1.46 0.00 0.00 175.22 175.03 2kj4 n SER 5 N 4.03 1.85 -0.21 6.13 7.64 -1.26 -4.88 113.62 126.92 2kj4 n SER 5 Ca 0.08 -2.97 0.14 0.00 1.01 0.00 0.00 58.87 57.13 2kj4 n SER 5 Cb 0.37 -0.55 0.53 0.00 -1.01 0.00 0.00 64.21 63.55 2kj4 n SER 5 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kj4 n GLU 6 N -0.03 0.89 -3.32 1.43 -0.58 -1.26 -4.09 120.64 113.68 2kj4 n GLU 6 Ca 0.18 -0.42 -0.26 0.00 -0.42 0.00 0.00 57.16 56.25 2kj4 n GLU 6 Cb 0.73 -1.49 -0.08 0.00 -0.57 0.00 0.00 31.44 30.04 2kj4 n GLU 6 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2kj4 n GLU 7 N -0.69 1.55 -4.27 3.49 -0.00 -1.26 -5.07 120.64 114.38 2kj4 n GLU 7 Ca 0.15 -3.91 -0.24 0.00 -0.00 0.00 0.00 57.16 53.16 2kj4 n GLU 7 Cb 0.31 -1.72 -0.08 0.00 -0.00 0.00 0.00 31.44 29.95 2kj4 n GLU 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kj4 s MET 9 N -3.42 3.66 -0.49 0.00 -1.94 0.17 -4.67 119.30 112.61 2kj4 s MET 9 Ca 0.30 0.00 -0.19 0.00 -1.71 0.00 0.00 55.69 54.09 2kj4 s MET 9 Cb -0.07 -2.79 0.05 0.00 2.01 0.00 0.00 34.83 34.02 2kj4 s MET 9 CO 0.19 0.43 0.60 -1.01 -0.01 0.00 0.00 175.02 175.21 2kj4 s HIS 10 N -1.71 3.07 0.00 -0.03 3.76 -1.26 0.47 115.29 119.60 2kj4 s HIS 10 Ca 0.43 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.85 2kj4 s HIS 10 Cb -0.12 -3.44 0.00 0.00 1.11 0.00 0.00 32.58 30.14 2kj4 s HIS 10 CO 0.24 -0.97 0.00 0.41 -0.85 0.00 0.00 174.74 173.57 2kj4 n GLY 11 N 5.15 1.03 0.19 -2.22 0.00 -1.07 -1.57 105.19 106.70 2kj4 n GLY 11 Ca -0.06 0.42 -0.06 0.00 0.00 0.00 0.00 46.02 46.31 2kj4 n GLY 11 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kj4 h SER 12 N 0.00 0.41 0.00 1.61 0.02 -1.84 -3.44 113.55 110.31 2kj4 h SER 12 Ca 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2kj4 h SER 12 Cb 0.00 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.42 2kj4 h SER 12 CO 0.00 0.88 0.00 0.61 -1.14 0.00 0.00 176.83 177.18 2kj4 n GLY 13 N 0.20 0.68 0.29 -3.77 0.00 -0.61 -3.18 105.19 98.79 2kj4 n GLY 13 Ca -0.03 -0.56 0.09 0.00 0.00 0.00 0.00 46.02 45.53 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 0.07 0.08 -0.01 1.61 5.08 -1.80 -2.11 114.58 117.49 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 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2kj4 h GLU 14 CO 0.00 0.05 0.00 -1.71 -1.00 0.00 0.00 179.01 176.35 2kj4 n ASN 15 N -4.51 0.13 -4.59 1.42 4.05 -1.26 -4.58 115.26 105.91 2kj4 n ASN 15 Ca -0.00 -1.44 -0.43 0.00 0.45 0.00 0.00 54.58 53.17 2kj4 n ASN 15 Cb 0.17 -0.01 -0.02 0.00 1.23 0.00 0.00 39.78 41.14 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 -1.98 2.30 -0.67 1.20 5.04 -0.80 -4.81 117.35 117.64 2kj4 s TYR 16 Ca 0.28 0.64 0.15 0.00 -2.44 0.00 0.00 57.07 55.70 2kj4 s TYR 16 Cb 0.13 -4.30 0.53 0.00 0.35 0.00 0.00 41.96 38.67 2kj4 s TYR 16 CO 0.22 -2.08 1.45 -0.40 -1.34 0.00 0.00 175.55 173.39 2kj4 n ASP 17 N 9.20 3.93 -4.23 4.32 5.75 -1.26 -4.78 116.55 129.48 2kj4 n ASP 17 Ca 0.17 -2.55 -0.29 0.00 -0.01 0.00 0.00 54.79 52.11 2kj4 n ASP 17 Cb 0.48 -0.47 0.22 0.00 -1.03 0.00 0.00 41.12 40.33 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 -1.31 1.55 -0.20 6.12 0.00 -1.26 -4.97 107.32 107.25 2kj4 s GLY 18 Ca 0.39 -0.61 0.16 0.00 0.00 0.00 0.00 44.72 44.67 2kj4 s GLY 18 CO 0.16 0.16 1.54 0.28 0.00 0.00 0.00 173.10 175.24 2kj4 n LYS 19 N -4.63 3.63 -2.23 2.90 5.02 -1.26 -4.67 118.16 116.92 2kj4 n LYS 19 Ca 0.08 -2.96 -0.40 0.00 -2.02 0.00 0.00 58.31 53.01 2kj4 n LYS 19 Cb 0.58 -2.00 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 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 -2.82 2.96 -0.03 -0.18 2.07 -1.26 -4.93 121.20 117.02 2kj4 s ILE 20 Ca 0.47 0.94 0.12 0.00 -1.41 0.00 0.00 60.65 60.77 2kj4 s ILE 20 Cb 0.37 -3.59 0.21 0.00 0.13 0.00 0.00 42.46 39.59 2kj4 s ILE 20 CO 0.11 0.20 1.09 -1.54 -1.91 0.00 0.00 174.94 172.90 2kj4 n SER 21 N 0.74 0.73 -4.15 4.50 3.41 -1.26 -2.23 113.62 115.37 2kj4 n SER 21 Ca 0.01 -2.26 -0.13 0.00 -0.26 0.00 0.00 58.87 56.23 2kj4 n SER 21 Cb 0.43 -0.28 -0.11 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.56 0.76 0.21 4.33 1.02 -1.26 -1.66 119.74 122.58 2kj4 s LYS 22 Ca 0.18 -1.13 -0.02 0.00 0.02 0.00 0.00 55.97 55.02 2kj4 s LYS 22 Cb 0.19 -0.35 0.05 0.00 -0.52 0.00 0.00 37.83 37.20 2kj4 s LYS 22 CO -0.06 0.03 0.29 0.25 -0.92 0.00 0.00 175.35 174.94 2kj4 n THR 23 N 0.55 0.00 0.18 2.17 -2.24 -0.60 -4.77 114.28 109.56 2kj4 n THR 23 Ca -0.16 -0.32 0.04 0.00 -2.27 0.00 0.00 64.05 61.34 2kj4 n THR 23 Cb 0.58 -1.56 0.45 0.00 -2.10 0.00 0.00 70.33 67.70 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 0.10 0.00 -0.78 -0.00 -0.63 -0.45 114.93 113.17 2kj4 h MET 24 Ca -0.09 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.58 2kj4 h MET 24 Cb 0.30 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 31.88 2kj4 h MET 24 CO 0.08 0.28 -0.34 0.43 -0.00 0.00 0.00 176.91 177.36 2kj4 n SER 25 N -4.29 0.62 0.00 -0.10 7.64 -1.26 -4.85 113.62 111.37 2kj4 n SER 25 Ca -0.02 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2kj4 n SER 25 Cb 0.26 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2kj4 n SER 25 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kj4 n GLY 26 N 1.37 0.95 3.82 0.23 0.00 -0.18 -5.07 105.19 106.32 2kj4 n GLY 26 Ca 0.05 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 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 3.14 0.03 0.99 1.43 -1.26 -4.61 118.68 118.39 2kj4 s LEU 27 Ca 0.00 1.64 -0.30 0.00 -1.03 0.00 0.00 54.13 54.43 2kj4 s LEU 27 Cb 0.00 -4.50 -0.05 0.00 0.03 0.00 0.00 46.19 41.68 2kj4 s LEU 27 CO 0.00 -1.48 1.12 -0.70 0.23 0.00 0.00 176.35 175.53 2kj4 s GLU 28 N -5.01 4.47 0.18 1.70 2.56 -1.26 -1.56 118.70 119.78 2kj4 s GLU 28 Ca 0.58 1.64 -0.11 0.00 0.00 0.00 0.00 54.97 57.09 2kj4 s GLU 28 Cb -0.14 -3.40 -0.07 0.00 2.00 0.00 0.00 34.13 32.52 2kj4 s GLU 28 CO 0.55 -0.20 0.52 0.00 -0.56 0.00 0.00 175.26 175.57 2kj4 s GLN 30 N -2.45 3.96 0.35 0.00 0.74 0.17 -4.62 119.66 117.81 2kj4 s GLN 30 Ca 0.43 0.18 -0.29 0.00 0.05 0.00 0.00 55.36 55.73 2kj4 s GLN 30 Cb -0.13 -3.30 -0.11 0.00 1.10 0.00 0.00 33.01 30.57 2kj4 s GLN 30 CO 0.20 0.52 1.51 0.00 -0.55 0.00 0.00 175.29 176.97 2kj4 s ALA 31 N -0.42 3.62 0.42 1.58 0.00 -1.26 -4.17 121.76 121.54 2kj4 s ALA 31 Ca 0.19 1.56 0.12 0.00 0.00 0.00 0.00 51.96 53.84 2kj4 s ALA 31 Cb -0.14 -3.62 0.92 0.00 0.00 0.00 0.00 23.12 20.28 2kj4 s ALA 31 CO 0.08 -1.02 1.97 -1.49 0.00 0.00 0.00 175.76 175.29 2kj4 h TRP 32 N 3.54 0.13 0.00 0.00 4.06 -1.22 -1.14 115.95 121.31 2kj4 h TRP 32 Ca -0.50 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.44 2kj4 h TRP 32 Cb 1.23 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 2kj4 h TRP 32 CO 0.55 0.26 0.00 0.22 -3.56 0.00 0.00 178.44 175.91 2kj4 h ASP 33 N 0.12 0.00 -3.32 -3.49 3.58 -1.79 -3.41 116.42 108.11 2kj4 h ASP 33 Ca 0.02 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.91 2kj4 h ASP 33 Cb 0.31 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.30 2kj4 h ASP 33 CO 0.02 0.00 -0.02 -0.55 -2.88 0.00 0.00 179.24 175.81 2kj4 s SER 34 N -4.87 6.93 0.00 2.28 0.15 -0.43 -4.92 113.70 112.83 2kj4 s SER 34 Ca 0.09 1.11 0.22 0.00 0.70 0.00 0.00 55.95 58.07 2kj4 s SER 34 Cb 0.10 -2.36 0.52 0.00 -1.71 0.00 0.00 66.02 62.57 2kj4 s SER 34 CO 0.59 0.05 1.45 1.67 1.20 0.00 0.00 173.24 178.19 2kj4 n GLN 35 N 3.05 2.36 -3.98 5.44 -0.06 -1.26 -4.79 117.38 118.15 2kj4 n GLN 35 Ca -0.06 -2.08 -0.12 0.00 -2.00 0.00 0.00 57.00 52.74 2kj4 n GLN 35 Cb 0.51 -1.49 -0.13 0.00 -4.06 0.00 0.00 30.24 25.07 2kj4 n GLN 35 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2kj4 s SER 36 N -1.36 0.27 0.23 1.69 1.04 -1.26 -2.96 113.70 111.35 2kj4 s SER 36 Ca 0.39 -0.18 0.12 0.00 0.48 0.00 0.00 55.95 56.77 2kj4 s SER 36 Cb 0.22 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 2kj4 s SER 36 CO 0.30 -0.07 1.40 1.55 0.98 0.00 0.00 173.24 177.40 2kj4 h PRO 37 N 5.66 0.00 -4.93 4.02 0.13 -1.89 -3.46 132.00 131.53 2kj4 h PRO 37 Ca -0.28 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.21 2kj4 h PRO 37 Cb 1.21 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.17 2kj4 h PRO 37 CO 0.48 0.66 -0.47 -1.01 -0.23 0.00 0.00 178.00 177.43 2kj4 s HIS 38 N -2.89 3.22 0.53 1.56 3.76 -1.26 -5.06 115.29 115.15 2kj4 s HIS 38 Ca 0.03 0.14 -0.20 0.00 -0.15 0.00 0.00 55.06 54.88 2kj4 s HIS 38 Cb 0.08 -2.43 -0.06 0.00 1.11 0.00 0.00 32.58 31.28 2kj4 s HIS 38 CO 0.77 -0.19 1.11 0.00 -0.85 0.00 0.00 174.74 175.58 2kj4 s ALA 39 N 1.81 2.74 0.13 -1.40 0.00 -1.16 -4.64 121.76 119.25 2kj4 s ALA 39 Ca 0.08 0.79 -0.26 0.00 0.00 0.00 0.00 51.96 52.57 2kj4 s ALA 39 Cb -0.16 -3.34 0.07 0.00 0.00 0.00 0.00 23.12 19.69 2kj4 s ALA 39 CO 0.11 -0.67 1.00 -3.38 0.00 0.00 0.00 175.76 172.82 2kj4 s HIS 40 N -1.80 -0.12 -0.30 0.00 -3.43 -1.26 -5.04 115.29 103.34 2kj4 s HIS 40 Ca 0.71 -0.15 0.10 0.00 -0.80 0.00 0.00 55.06 54.92 2kj4 s HIS 40 Cb -0.23 0.62 0.57 0.00 -1.43 0.00 0.00 32.58 32.12 2kj4 s HIS 40 CO 0.26 -0.74 1.57 0.41 -2.00 0.00 0.00 174.74 174.24 2kj4 n GLY 41 N -0.47 4.53 3.21 -1.38 0.00 -1.26 -4.77 105.19 105.06 2kj4 n GLY 41 Ca -0.06 -1.14 -0.44 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.91 4.08 -3.20 1.61 4.02 -1.26 -4.98 117.16 116.52 2kj4 n TYR 42 Ca 0.36 -3.31 -0.39 0.00 -0.01 0.00 0.00 57.90 54.55 2kj4 n TYR 42 Cb 1.16 -1.66 -0.06 0.00 -0.02 0.00 0.00 39.34 38.76 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 -1.21 5.08 -0.93 -0.72 1.01 -1.26 -4.52 121.20 118.66 2kj4 s ILE 43 Ca 0.33 1.07 0.06 0.00 0.00 0.00 0.00 60.65 62.12 2kj4 s ILE 43 Cb -0.02 -3.89 0.06 0.00 0.01 0.00 0.00 42.46 38.61 2kj4 s ILE 43 CO -0.00 0.17 1.20 -2.65 0.00 0.00 0.00 174.94 173.66 2kj4 n PRO 44 N 4.70 0.02 0.03 2.79 -0.02 -1.26 -1.25 135.00 140.01 2kj4 n PRO 44 Ca -0.04 0.44 -0.10 0.00 -2.02 0.00 0.00 63.50 61.78 2kj4 n PRO 44 Cb 0.50 -1.54 -0.13 0.00 -0.02 0.00 0.00 33.50 32.31 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 0.11 0.38 2.55 0.02 -1.95 -2.83 113.55 111.83 2kj4 h SER 45 Ca 0.00 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.73 2kj4 h SER 45 Cb 0.08 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2kj4 h SER 45 CO 0.00 1.13 -1.69 2.29 -1.14 0.00 0.00 176.83 177.42 2kj4 n LYS 46 N -3.28 0.64 -3.39 3.45 2.85 -0.38 -4.41 118.16 113.64 2kj4 n LYS 46 Ca -0.10 -0.02 -0.26 0.00 -1.05 0.00 0.00 58.31 56.88 2kj4 n LYS 46 Cb 1.00 -1.65 -0.08 0.00 -0.65 0.00 0.00 35.03 33.65 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 -2.53 1.59 0.13 5.58 3.72 -0.48 -4.92 117.46 120.54 2kj4 n PHE 47 Ca -0.07 -3.86 0.01 0.00 -0.05 0.00 0.00 57.45 53.47 2kj4 n PHE 47 Cb 0.68 -0.39 0.02 0.00 -0.94 0.00 0.00 39.48 38.85 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 0.00 0.00 -1.08 0.13 -1.70 -3.34 132.00 130.44 2kj4 h PRO 48 Ca 0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.27 2kj4 h PRO 48 Cb 0.78 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 2kj4 h PRO 48 CO 0.63 0.61 -0.08 -2.95 -0.23 0.00 0.00 178.00 175.97 2kj4 h ASN 49 N 0.00 0.00 -0.50 1.44 -1.07 -1.91 -1.52 115.58 112.02 2kj4 h ASN 49 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.36 2kj4 h ASN 49 Cb 1.43 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.68 2kj4 h ASN 49 CO 0.08 0.08 0.00 0.29 0.07 0.00 0.00 177.43 177.95 2kj4 n LYS 50 N -4.37 2.17 -3.34 4.14 4.76 -1.25 -4.94 118.16 115.32 2kj4 n LYS 50 Ca -0.03 -1.82 -0.16 0.00 -2.87 0.00 0.00 58.31 53.43 2kj4 n LYS 50 Cb 0.16 -1.40 0.08 0.00 -1.84 0.00 0.00 35.03 32.04 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 0.98 -4.28 -4.57 4.39 5.15 -0.57 -4.76 115.26 111.60 2kj4 n ASN 51 Ca 0.17 -0.66 -0.37 0.00 -0.60 0.00 0.00 54.58 53.11 2kj4 n ASN 51 Cb 0.43 -5.17 -0.03 0.00 -0.53 0.00 0.00 39.78 34.48 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 -5.89 3.51 -0.02 1.20 1.02 -1.26 -4.93 118.68 112.30 2kj4 s LEU 52 Ca 0.22 -1.90 0.03 0.00 0.02 0.00 0.00 54.13 52.50 2kj4 s LEU 52 Cb -0.03 -2.58 -0.03 0.00 0.02 0.00 0.00 46.19 43.57 2kj4 s LEU 52 CO 0.74 -1.87 -0.09 -0.54 0.02 0.00 0.00 176.35 174.61 2kj4 s LYS 53 N 5.20 2.58 0.00 1.70 -0.14 -1.26 -4.73 119.74 123.08 2kj4 s LYS 53 Ca 0.58 -0.68 0.00 0.00 -1.36 0.00 0.00 55.97 54.51 2kj4 s LYS 53 Cb 0.01 -2.49 0.00 0.00 -1.68 0.00 0.00 37.83 33.67 2kj4 s LYS 53 CO 0.05 0.62 0.00 1.63 -0.76 0.00 0.00 175.35 176.89 2kj4 n LYS 54 N 1.87 0.00 -1.41 1.68 5.02 -1.26 -2.05 118.16 122.01 2kj4 n LYS 54 Ca -0.16 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 55.94 2kj4 n LYS 54 Cb 0.53 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.64 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 -0.04 4.51 -4.78 4.39 6.94 -1.26 -0.70 115.26 124.31 2kj4 n ASN 55 Ca 0.00 -3.78 -0.39 0.00 -0.02 0.00 0.00 54.58 50.39 2kj4 n ASN 55 Cb 0.00 -0.58 -0.06 0.00 -2.36 0.00 0.00 39.78 36.78 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 -3.52 3.85 0.12 -2.53 2.02 -0.87 -4.34 117.35 112.09 2kj4 s TYR 56 Ca 0.51 1.49 -0.31 0.00 -0.37 0.00 0.00 57.07 58.39 2kj4 s TYR 56 Cb 0.43 -2.68 -0.10 0.00 -0.40 0.00 0.00 41.96 39.21 2kj4 s TYR 56 CO 0.01 0.51 1.71 0.00 -1.57 0.00 0.00 175.55 176.21 2kj4 s ARG 58 N 2.22 1.52 -0.44 0.00 1.81 -0.42 -4.79 118.95 118.86 2kj4 s ARG 58 Ca 0.76 -1.84 0.02 0.00 -1.72 0.00 0.00 55.73 52.95 2kj4 s ARG 58 Cb -0.44 -0.41 0.15 0.00 -0.45 0.00 0.00 34.95 33.80 2kj4 s ARG 58 CO 0.33 -0.30 0.29 1.21 -0.68 0.00 0.00 175.30 176.16 2kj4 s ASN 59 N -3.38 2.90 -0.09 0.23 3.84 -1.26 -0.59 114.94 116.59 2kj4 s ASN 59 Ca 0.37 -2.77 -0.05 0.00 0.21 0.00 0.00 52.86 50.61 2kj4 s ASN 59 Cb 0.07 -0.74 -0.27 0.00 -0.55 0.00 0.00 41.25 39.77 2kj4 s ASN 59 CO 0.15 -0.23 0.47 1.55 -2.79 0.00 0.00 177.10 176.25 2kj4 h PRO 60 N 6.33 0.26 -0.36 0.43 0.13 -1.91 -3.39 132.00 133.48 2kj4 h PRO 60 Ca 0.11 -0.44 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2kj4 h PRO 60 Cb 0.91 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2kj4 h PRO 60 CO 0.41 1.15 0.00 -0.40 -0.23 0.00 0.00 178.00 178.93 2kj4 n ASP 61 N -3.45 2.50 -2.89 1.44 5.68 -1.26 -4.94 116.55 113.62 2kj4 n ASP 61 Ca -0.28 -1.90 -0.12 0.00 -0.50 0.00 0.00 54.79 51.99 2kj4 n ASP 61 Cb 1.05 -0.24 0.06 0.00 -1.14 0.00 0.00 41.12 40.85 2kj4 n ASP 61 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2kj4 n ARG 62 N 0.86 -1.79 -0.06 0.11 1.74 -1.26 -5.06 116.66 111.20 2kj4 n ARG 62 Ca 0.17 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 2kj4 n ARG 62 Cb 0.43 -4.96 0.00 0.00 -1.02 0.00 0.00 32.46 26.91 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 -2.87 0.00 0.10 0.55 2.03 -1.26 -5.02 116.55 110.07 2kj4 n ASP 63 Ca -0.06 -0.19 -0.21 0.00 0.52 0.00 0.00 54.79 54.85 2kj4 n ASP 63 Cb 0.60 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.59 -7.76 -2.67 3.38 -1.95 -3.43 115.31 103.47 2kj4 h LEU 64 Ca 0.00 -0.74 -0.17 0.00 0.09 0.00 0.00 57.88 57.06 2kj4 h LEU 64 Cb 0.00 -0.19 -0.22 0.00 0.09 0.00 0.00 40.66 40.33 2kj4 h LEU 64 CO 0.00 1.60 -0.56 -0.60 0.09 0.00 0.00 178.44 178.97 2kj4 s ARG 65 N -2.61 0.35 0.68 1.13 3.52 -1.25 -4.14 118.95 116.63 2kj4 s ARG 65 Ca -0.10 -0.29 -0.17 0.00 -0.13 0.00 0.00 55.73 55.05 2kj4 s ARG 65 Cb 0.06 0.14 -0.01 0.00 -1.56 0.00 0.00 34.95 33.58 2kj4 s ARG 65 CO 0.89 -0.07 1.06 -2.30 -0.81 0.00 0.00 175.30 174.06 2kj4 n PRO 66 N 1.92 0.74 -3.92 5.12 -0.02 -1.19 -4.84 135.00 132.81 2kj4 n PRO 66 Ca -0.20 0.31 -0.11 0.00 -2.02 0.00 0.00 63.50 61.47 2kj4 n PRO 66 Cb 0.56 -2.30 -0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 -1.65 0.48 0.14 6.00 1.48 0.24 -0.55 118.94 125.08 2kj4 s TRP 67 Ca 0.77 -0.99 -0.08 0.00 -1.06 0.00 0.00 56.10 54.75 2kj4 s TRP 67 Cb -0.37 0.49 0.03 0.00 -1.16 0.00 0.00 33.47 32.46 2kj4 s TRP 67 CO 0.47 -1.41 0.38 0.00 -4.06 0.00 0.00 176.95 172.33 2kj4 s PHE 69 N -5.36 3.45 -0.14 0.00 0.40 -1.26 -0.86 117.98 114.21 2kj4 s PHE 69 Ca 0.08 0.70 -0.07 0.00 -0.60 0.00 0.00 56.93 57.04 2kj4 s PHE 69 Cb -0.02 -2.13 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 2kj4 s PHE 69 CO 0.04 0.31 0.11 0.95 0.70 0.00 0.00 175.22 177.33 2kj4 s THR 70 N -1.82 5.23 -0.98 0.64 -4.23 -1.17 0.44 115.64 113.75 2kj4 s THR 70 Ca 0.44 0.11 0.26 0.00 -1.18 0.00 0.00 61.69 61.32 2kj4 s THR 70 Cb -0.11 -3.30 0.22 0.00 1.34 0.00 0.00 72.50 70.64 2kj4 s THR 70 CO 0.24 0.56 1.83 0.41 -0.54 0.00 0.00 174.62 177.12 2kj4 n THR 71 N 2.55 0.24 -2.06 3.99 -1.04 0.01 -4.64 114.28 113.33 2kj4 n THR 71 Ca -0.18 0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.44 2kj4 n THR 71 Cb 0.54 -0.61 -0.03 0.00 -1.82 0.00 0.00 70.33 68.40 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 -3.11 6.72 0.20 8.00 2.15 -1.26 -4.87 116.67 124.50 2kj4 s ASP 72 Ca 0.12 2.39 -0.12 0.00 0.43 0.00 0.00 52.55 55.38 2kj4 s ASP 72 Cb 0.17 -2.58 0.25 0.00 -0.30 0.00 0.00 42.92 40.46 2kj4 s ASP 72 CO 0.48 -0.77 1.70 -0.65 -0.17 0.00 0.00 175.17 175.76 2kj4 h PRO 73 N 7.44 0.19 0.00 4.34 0.11 -1.99 -2.96 132.00 139.14 2kj4 h PRO 73 Ca -0.41 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 2kj4 h PRO 73 Cb 1.20 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2kj4 h PRO 73 CO 0.90 0.13 -0.87 -2.95 -0.21 0.00 0.00 178.00 175.00 2kj4 h ASN 74 N 0.20 0.00 -3.36 -2.05 -1.07 -1.96 -3.44 115.58 103.90 2kj4 h ASN 74 Ca 0.29 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 56.08 2kj4 h ASN 74 Cb 0.43 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 36.60 2kj4 h ASN 74 CO -0.40 0.11 0.00 -0.54 0.07 0.00 0.00 177.43 176.67 2kj4 s LYS 75 N -3.25 4.34 0.02 4.14 -0.14 -1.12 -4.93 119.74 118.81 2kj4 s LYS 75 Ca 0.01 0.64 -0.02 0.00 -1.36 0.00 0.00 55.97 55.23 2kj4 s LYS 75 Cb 0.09 -3.48 -0.27 0.00 -1.68 0.00 0.00 37.83 32.49 2kj4 s LYS 75 CO 0.77 0.02 0.93 -0.09 -0.76 0.00 0.00 175.35 176.23 2kj4 h ARG 76 N 6.93 0.23 -2.55 1.68 2.43 -1.85 -3.40 114.38 117.85 2kj4 h ARG 76 Ca -0.39 -0.40 0.14 0.00 -0.81 0.00 0.00 59.98 58.53 2kj4 h ARG 76 Cb 1.18 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.80 2kj4 h ARG 76 CO 0.76 1.11 0.40 1.67 -1.51 0.00 0.00 179.97 182.40 2kj4 s TRP 77 N -2.63 -0.15 0.10 2.20 1.48 -1.26 -3.05 118.94 115.63 2kj4 s TRP 77 Ca -0.07 -0.21 -0.21 0.00 -1.06 0.00 0.00 56.10 54.54 2kj4 s TRP 77 Cb 0.07 0.66 0.06 0.00 -1.16 0.00 0.00 33.47 33.10 2kj4 s TRP 77 CO 0.86 -0.96 0.53 -2.00 -4.06 0.00 0.00 176.95 171.31 2kj4 s GLU 78 N -3.49 1.13 0.69 3.25 2.12 -0.04 -4.78 118.70 117.59 2kj4 s GLU 78 Ca 0.12 -0.42 -0.12 0.00 0.36 0.00 0.00 54.97 54.91 2kj4 s GLU 78 Cb -0.03 0.52 0.01 0.00 0.26 0.00 0.00 34.13 34.89 2kj4 s GLU 78 CO 0.04 -0.45 1.08 0.71 -0.54 0.00 0.00 175.26 176.10 2kj4 s TYR 79 N -3.20 2.84 -0.09 5.30 2.02 -1.26 -1.37 117.35 121.59 2kj4 s TYR 79 Ca -0.01 1.50 0.01 0.00 -0.37 0.00 0.00 57.07 58.20 2kj4 s TYR 79 Cb -0.00 -3.00 -0.03 0.00 -0.40 0.00 0.00 41.96 38.53 2kj4 s TYR 79 CO -0.08 -1.46 -0.10 0.00 -1.57 0.00 0.00 175.55 172.34 2kj4 s ASP 81 N -0.39 6.85 -0.11 0.00 2.15 -1.26 -4.60 116.67 119.31 2kj4 s ASP 81 Ca 0.05 -2.72 -0.01 0.00 0.43 0.00 0.00 52.55 50.30 2kj4 s ASP 81 Cb -0.12 -2.27 -0.03 0.00 -0.30 0.00 0.00 42.92 40.20 2kj4 s ASP 81 CO 0.02 -0.65 -0.07 -0.63 -0.17 0.00 0.00 175.17 173.68 2kj4 s ILE 82 N 0.60 3.67 0.12 4.11 1.01 -1.26 -4.99 121.20 124.47 2kj4 s ILE 82 Ca 0.25 -0.47 -0.34 0.00 0.00 0.00 0.00 60.65 60.10 2kj4 s ILE 82 Cb -0.08 -2.54 -0.17 0.00 0.01 0.00 0.00 42.46 39.67 2kj4 s ILE 82 CO -0.08 0.55 0.95 -2.65 0.00 0.00 0.00 174.94 173.71 2kj4 n PRO 83 N 2.84 0.45 -4.89 2.79 -0.02 -1.26 -4.81 135.00 130.10 2kj4 n PRO 83 Ca -0.18 0.16 -0.33 0.00 -2.02 0.00 0.00 63.50 61.14 2kj4 n PRO 83 Cb 0.53 -1.51 -0.15 0.00 -0.02 0.00 0.00 33.50 32.34 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 -0.45 3.29 0.19 -0.52 3.03 -1.26 0.42 118.95 123.64 2kj4 s ARG 84 Ca 0.76 -0.73 0.10 0.00 2.03 0.00 0.00 55.73 57.89 2kj4 s ARG 84 Cb -1.01 -2.54 -0.04 0.00 -1.03 0.00 0.00 34.95 30.32 2kj4 s ARG 84 CO 0.55 0.21 -0.13 0.00 -1.13 0.00 0.00 175.30 174.80 2kj4 h ALA 86 N 2.93 -0.08 -0.02 0.00 0.00 -1.98 -2.83 119.26 117.27 2kj4 h ALA 86 Ca -0.46 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 53.55 2kj4 h ALA 86 Cb 1.21 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2kj4 h ALA 86 CO 0.53 0.78 0.00 0.00 0.00 0.00 0.00 179.25 180.56