#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 3.63 0.36 -0.72 1.01 -1.26 -4.00 120.40 119.42 2kj4 s VAL 2 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.57 2kj4 s VAL 2 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2kj4 s VAL 2 CO 0.00 -0.74 0.00 1.21 0.00 0.00 0.00 175.10 175.57 2kj4 n GLU 3 N 8.51 0.00 -3.51 2.72 2.13 -1.26 -4.97 120.64 124.26 2kj4 n GLU 3 Ca 0.19 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.73 2kj4 n GLU 3 Cb 0.48 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.09 2kj4 n GLU 3 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2kj4 s PHE 4 N -2.00 1.54 -0.16 4.31 5.36 -1.26 -4.97 117.98 120.81 2kj4 s PHE 4 Ca 0.00 -2.44 -0.19 0.00 -0.96 0.00 0.00 56.93 53.33 2kj4 s PHE 4 Cb 0.00 -1.29 -0.16 0.00 -0.34 0.00 0.00 43.02 41.23 2kj4 s PHE 4 CO 0.00 -0.78 0.31 0.77 -1.46 0.00 0.00 175.22 174.06 2kj4 h SER 5 N 5.79 0.00 -2.52 6.13 0.02 -1.94 -3.43 113.55 117.61 2kj4 h SER 5 Ca 0.21 -0.53 -0.61 0.00 -0.84 0.00 0.00 61.79 60.02 2kj4 h SER 5 Cb 0.89 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.30 2kj4 h SER 5 CO 0.43 1.10 0.71 -1.61 -1.14 0.00 0.00 176.83 176.31 2kj4 s GLU 6 N -2.19 3.17 0.48 3.45 2.02 -1.26 -4.87 118.70 119.50 2kj4 s GLU 6 Ca -0.20 -0.77 0.25 0.00 0.02 0.00 0.00 54.97 54.27 2kj4 s GLU 6 Cb 0.02 -4.30 1.23 0.00 0.10 0.00 0.00 34.13 31.17 2kj4 s GLU 6 CO 0.49 -1.90 1.98 0.93 0.02 0.00 0.00 175.26 176.78 2kj4 h GLU 7 N 9.63 0.00 0.00 1.61 5.08 -1.96 -3.47 114.58 125.47 2kj4 h GLU 7 Ca -0.24 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.18 2kj4 h GLU 7 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2kj4 h GLU 7 CO 1.21 0.18 0.25 0.00 -1.00 0.00 0.00 179.01 179.65 2kj4 s MET 9 N -2.03 3.87 -1.05 0.00 -1.94 0.46 -4.84 119.30 113.78 2kj4 s MET 9 Ca 0.10 0.09 -0.22 0.00 -1.71 0.00 0.00 55.69 53.95 2kj4 s MET 9 Cb -0.01 -3.72 0.06 0.00 2.01 0.00 0.00 34.83 33.17 2kj4 s MET 9 CO 0.03 -0.47 1.45 -3.38 -0.01 0.00 0.00 175.02 172.64 2kj4 s HIS 10 N 2.33 2.64 0.00 -0.03 -3.43 -1.26 -2.89 115.29 112.65 2kj4 s HIS 10 Ca 0.19 -1.02 0.00 0.00 -0.80 0.00 0.00 55.06 53.44 2kj4 s HIS 10 Cb -0.16 -4.66 0.00 0.00 -1.43 0.00 0.00 32.58 26.34 2kj4 s HIS 10 CO 0.11 -1.87 0.00 0.41 -2.00 0.00 0.00 174.74 171.39 2kj4 n GLY 11 N 6.52 -1.66 0.22 -1.38 0.00 -1.26 -4.29 105.19 103.33 2kj4 n GLY 11 Ca 0.34 -1.87 0.14 0.00 0.00 0.00 0.00 46.02 44.64 2kj4 n GLY 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kj4 n SER 12 N 0.02 0.74 0.00 1.61 3.41 -1.26 -4.63 113.62 113.51 2kj4 n SER 12 Ca 0.00 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 2kj4 n SER 12 Cb 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2kj4 n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kj4 n GLY 13 N 1.19 0.64 0.30 5.00 0.00 -1.26 -3.86 105.19 107.21 2kj4 n GLY 13 Ca 0.18 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.39 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 4.60 0.00 -0.05 1.61 5.08 -1.88 -2.48 114.58 121.45 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 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2kj4 h GLU 14 CO 0.00 0.00 0.00 -1.71 -1.00 0.00 0.00 179.01 176.30 2kj4 n ASN 15 N -3.10 2.56 -4.69 1.42 4.05 -1.26 -4.71 115.26 109.53 2kj4 n ASN 15 Ca -0.01 -2.86 -0.42 0.00 0.45 0.00 0.00 54.58 51.74 2kj4 n ASN 15 Cb 0.20 -0.37 -0.03 0.00 1.23 0.00 0.00 39.78 40.82 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 -2.49 3.12 -0.41 1.20 5.04 -0.94 -4.90 117.35 117.96 2kj4 s TYR 16 Ca 0.28 1.14 0.09 0.00 -2.44 0.00 0.00 57.07 56.14 2kj4 s TYR 16 Cb 0.24 -3.46 0.23 0.00 0.35 0.00 0.00 41.96 39.32 2kj4 s TYR 16 CO 0.04 -1.50 1.18 -0.40 -1.34 0.00 0.00 175.55 173.52 2kj4 n ASP 17 N 5.31 2.67 -4.34 4.32 5.75 -1.26 -4.82 116.55 124.19 2kj4 n ASP 17 Ca 0.11 -2.26 -0.29 0.00 -0.01 0.00 0.00 54.79 52.34 2kj4 n ASP 17 Cb 0.46 -0.22 0.22 0.00 -1.03 0.00 0.00 41.12 40.55 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 -1.34 1.55 -0.11 6.12 0.00 -1.26 -4.96 107.32 107.32 2kj4 s GLY 18 Ca 0.19 -0.53 0.19 0.00 0.00 0.00 0.00 44.72 44.56 2kj4 s GLY 18 CO 0.08 0.21 1.64 0.28 0.00 0.00 0.00 173.10 175.30 2kj4 n LYS 19 N -4.58 3.72 -2.28 2.90 5.02 -1.26 -4.65 118.16 117.04 2kj4 n LYS 19 Ca 0.07 -2.90 -0.41 0.00 -2.02 0.00 0.00 58.31 53.05 2kj4 n LYS 19 Cb 0.58 -1.89 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 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 -1.81 3.16 -0.01 -0.18 2.07 -1.26 -4.90 121.20 118.27 2kj4 s ILE 20 Ca 0.52 1.09 0.01 0.00 -1.41 0.00 0.00 60.65 60.86 2kj4 s ILE 20 Cb 0.33 -3.70 0.01 0.00 0.13 0.00 0.00 42.46 39.23 2kj4 s ILE 20 CO 0.25 0.23 0.68 -1.54 -1.91 0.00 0.00 174.94 172.66 2kj4 n SER 21 N 1.49 0.40 -4.15 4.50 3.41 -1.26 -0.59 113.62 117.43 2kj4 n SER 21 Ca 0.01 -1.40 -0.25 0.00 -0.26 0.00 0.00 58.87 56.98 2kj4 n SER 21 Cb 0.43 -0.05 -0.15 0.00 -0.26 0.00 0.00 64.21 64.18 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 -0.27 1.44 0.38 4.33 1.02 -1.26 -0.39 119.74 125.00 2kj4 s LYS 22 Ca 0.01 -0.59 -0.06 0.00 0.02 0.00 0.00 55.97 55.34 2kj4 s LYS 22 Cb 0.01 -1.36 0.09 0.00 -0.52 0.00 0.00 37.83 36.05 2kj4 s LYS 22 CO 0.00 0.33 0.50 0.25 -0.92 0.00 0.00 175.35 175.51 2kj4 n THR 23 N 2.79 0.00 0.22 2.17 -2.24 0.66 -4.52 114.28 113.36 2kj4 n THR 23 Ca -0.16 -0.36 0.07 0.00 -2.27 0.00 0.00 64.05 61.34 2kj4 n THR 23 Cb 0.54 -1.75 0.51 0.00 -2.10 0.00 0.00 70.33 67.53 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 -0.01 -0.78 -0.00 -0.45 0.67 114.93 114.37 2kj4 h MET 24 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.54 2kj4 h MET 24 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.05 2kj4 h MET 24 CO 0.11 0.25 -0.12 -1.13 -0.00 0.00 0.00 176.91 176.03 2kj4 n SER 25 N -3.84 0.97 -0.37 -0.10 3.41 -1.26 -4.83 113.62 107.59 2kj4 n SER 25 Ca -0.02 -1.02 -0.04 0.00 -0.26 0.00 0.00 58.87 57.53 2kj4 n SER 25 Cb 0.34 0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.31 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 1.24 0.55 3.86 5.00 0.00 0.23 -5.02 105.19 111.06 2kj4 n GLY 26 Ca 0.16 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.04 3.76 -0.09 0.99 1.43 -1.26 -4.59 118.68 117.88 2kj4 s LEU 27 Ca 0.00 1.28 -0.25 0.00 -1.03 0.00 0.00 54.13 54.13 2kj4 s LEU 27 Cb 0.00 -4.18 -0.03 0.00 0.03 0.00 0.00 46.19 42.01 2kj4 s LEU 27 CO 0.00 -0.47 0.78 -0.70 0.23 0.00 0.00 176.35 176.19 2kj4 s GLU 28 N -3.93 4.41 0.48 1.70 2.12 -1.26 -0.25 118.70 121.97 2kj4 s GLU 28 Ca 0.54 0.99 -0.21 0.00 0.36 0.00 0.00 54.97 56.66 2kj4 s GLU 28 Cb -0.10 -3.49 -0.08 0.00 0.26 0.00 0.00 34.13 30.71 2kj4 s GLU 28 CO 0.31 -0.08 1.05 0.00 -0.54 0.00 0.00 175.26 176.00 2kj4 s GLN 30 N -3.16 4.31 0.28 0.00 0.74 0.14 -4.65 119.66 117.32 2kj4 s GLN 30 Ca 0.67 0.57 -0.30 0.00 0.05 0.00 0.00 55.36 56.35 2kj4 s GLN 30 Cb -0.18 -3.40 -0.12 0.00 1.10 0.00 0.00 33.01 30.41 2kj4 s GLN 30 CO 0.22 0.24 1.56 0.00 -0.55 0.00 0.00 175.29 176.75 2kj4 n ALA 31 N 3.31 2.24 0.25 1.58 0.00 -1.26 -4.35 120.51 122.28 2kj4 n ALA 31 Ca -0.07 0.38 0.09 0.00 0.00 0.00 0.00 53.44 53.85 2kj4 n ALA 31 Cb 0.51 -2.42 0.65 0.00 0.00 0.00 0.00 19.45 18.19 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 4.73 0.00 -0.00 0.00 4.06 -1.06 -1.00 115.95 122.68 2kj4 h TRP 32 Ca -0.46 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.49 2kj4 h TRP 32 Cb 1.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 2kj4 h TRP 32 CO 0.58 0.13 -0.06 -3.47 -3.56 0.00 0.00 178.44 172.07 2kj4 n ASP 33 N -3.99 0.29 -4.24 -3.49 -0.08 -1.26 -4.45 116.55 99.33 2kj4 n ASP 33 Ca -0.02 -0.54 -0.32 0.00 -1.51 0.00 0.00 54.79 52.40 2kj4 n ASP 33 Cb 0.22 -0.12 -0.17 0.00 2.34 0.00 0.00 41.12 43.39 2kj4 n ASP 33 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2kj4 s SER 34 N -2.41 3.11 -0.07 1.67 0.15 -0.38 -5.00 113.70 110.76 2kj4 s SER 34 Ca 0.32 -0.53 0.13 0.00 0.70 0.00 0.00 55.95 56.56 2kj4 s SER 34 Cb 0.20 -1.20 0.50 0.00 -1.71 0.00 0.00 66.02 63.82 2kj4 s SER 34 CO 0.45 0.19 1.37 1.67 1.20 0.00 0.00 173.24 178.12 2kj4 n GLN 35 N 3.30 2.88 -4.05 5.44 -0.06 -1.26 -4.72 117.38 118.90 2kj4 n GLN 35 Ca -0.18 -1.99 -0.17 0.00 -2.00 0.00 0.00 57.00 52.65 2kj4 n GLN 35 Cb 0.53 -1.69 -0.16 0.00 -4.06 0.00 0.00 30.24 24.86 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 -0.79 0.57 0.03 1.69 0.15 -1.26 -3.95 113.70 110.13 2kj4 s SER 36 Ca 0.36 -0.07 -0.00 0.00 0.70 0.00 0.00 55.95 56.93 2kj4 s SER 36 Cb 0.23 -0.22 -0.26 0.00 -1.71 0.00 0.00 66.02 64.06 2kj4 s SER 36 CO 0.18 -0.03 0.95 1.55 1.20 0.00 0.00 173.24 177.08 2kj4 h PRO 37 N 6.81 0.19 -6.37 5.44 0.13 -1.87 -3.44 132.00 132.89 2kj4 h PRO 37 Ca -0.37 -0.33 -0.54 0.00 -0.87 0.00 0.00 66.00 63.89 2kj4 h PRO 37 Cb 1.16 0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 2kj4 h PRO 37 CO 0.49 1.06 0.31 -1.01 -0.23 0.00 0.00 178.00 178.62 2kj4 s HIS 38 N -2.64 3.68 0.08 1.56 3.76 -1.26 -5.01 115.29 115.46 2kj4 s HIS 38 Ca -0.06 1.63 -0.30 0.00 -0.15 0.00 0.00 55.06 56.18 2kj4 s HIS 38 Cb 0.07 -3.04 -0.05 0.00 1.11 0.00 0.00 32.58 30.67 2kj4 s HIS 38 CO 0.85 0.06 1.05 0.00 -0.85 0.00 0.00 174.74 175.85 2kj4 s ALA 39 N 0.75 3.28 -0.17 -1.40 0.00 -1.25 -4.63 121.76 118.35 2kj4 s ALA 39 Ca 0.48 0.68 -0.28 0.00 0.00 0.00 0.00 51.96 52.84 2kj4 s ALA 39 Cb -0.21 -3.35 0.09 0.00 0.00 0.00 0.00 23.12 19.65 2kj4 s ALA 39 CO 0.26 -0.22 0.80 -3.38 0.00 0.00 0.00 175.76 173.22 2kj4 s HIS 40 N 0.47 -0.62 -0.32 0.00 -3.43 -1.26 -5.04 115.29 105.09 2kj4 s HIS 40 Ca 0.52 1.27 0.03 0.00 -0.80 0.00 0.00 55.06 56.08 2kj4 s HIS 40 Cb -0.25 0.37 0.47 0.00 -1.43 0.00 0.00 32.58 31.73 2kj4 s HIS 40 CO 0.30 -0.44 1.60 0.41 -2.00 0.00 0.00 174.74 174.61 2kj4 n GLY 41 N 1.57 3.59 3.19 -1.38 0.00 -1.26 -4.61 105.19 106.29 2kj4 n GLY 41 Ca -0.15 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.52 4.31 -2.92 1.61 4.02 -1.26 -4.99 117.16 117.40 2kj4 n TYR 42 Ca 0.39 -3.61 -0.41 0.00 -0.01 0.00 0.00 57.90 54.26 2kj4 n TYR 42 Cb 1.26 -1.47 -0.04 0.00 -0.02 0.00 0.00 39.34 39.07 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 -1.74 4.92 0.52 -0.72 -1.09 -1.26 -4.66 121.20 117.17 2kj4 s ILE 43 Ca 0.31 1.60 0.17 0.00 -2.23 0.00 0.00 60.65 60.49 2kj4 s ILE 43 Cb -0.05 -4.12 0.27 0.00 -1.58 0.00 0.00 42.46 36.98 2kj4 s ILE 43 CO -0.04 0.08 2.14 -0.65 -1.23 0.00 0.00 174.94 175.25 2kj4 h PRO 44 N 7.20 0.00 0.00 2.79 0.11 -1.78 -1.07 132.00 139.24 2kj4 h PRO 44 Ca -0.32 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.65 2kj4 h PRO 44 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2kj4 h PRO 44 CO 0.81 0.02 -0.66 0.77 -0.21 0.00 0.00 178.00 178.73 2kj4 h SER 45 N 0.00 0.00 1.52 -2.05 0.02 -1.92 -2.69 113.55 108.42 2kj4 h SER 45 Ca -0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2kj4 h SER 45 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2kj4 h SER 45 CO 0.00 0.66 -0.50 0.50 -1.14 0.00 0.00 176.83 176.35 2kj4 h LYS 46 N 0.00 0.00 -2.13 3.45 1.63 -1.64 -3.36 116.57 114.52 2kj4 h LYS 46 Ca -0.01 0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 59.21 2kj4 h LYS 46 Cb 1.24 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 32.47 2kj4 h LYS 46 CO 0.09 0.26 -0.88 1.19 -3.45 0.00 0.00 179.45 176.65 2kj4 n PHE 47 N -3.08 1.32 0.02 1.91 3.72 -0.70 -4.96 117.46 115.70 2kj4 n PHE 47 Ca 0.01 -3.81 -0.06 0.00 -0.05 0.00 0.00 57.45 53.54 2kj4 n PHE 47 Cb 0.66 -0.41 0.13 0.00 -0.94 0.00 0.00 39.48 38.92 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 4.19 0.46 0.00 -1.08 0.13 -1.65 -3.11 132.00 130.94 2kj4 h PRO 48 Ca 0.13 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2kj4 h PRO 48 Cb 0.79 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2kj4 h PRO 48 CO 0.61 0.81 0.00 0.27 -0.23 0.00 0.00 178.00 179.46 2kj4 n ASN 49 N -4.01 0.00 -0.24 1.44 6.94 -1.26 -2.41 115.26 115.72 2kj4 n ASN 49 Ca -0.02 -0.66 0.07 0.00 -0.02 0.00 0.00 54.58 53.95 2kj4 n ASN 49 Cb 0.52 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.92 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 -0.92 1.99 -3.66 -3.83 4.76 -1.18 -4.97 118.16 110.35 2kj4 n LYS 50 Ca 0.12 -0.55 -0.24 0.00 -2.87 0.00 0.00 58.31 54.77 2kj4 n LYS 50 Cb 0.05 -1.20 0.06 0.00 -1.84 0.00 0.00 35.03 32.11 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 -0.47 -4.41 -3.68 4.39 5.15 -1.01 -4.85 115.26 110.37 2kj4 n ASN 51 Ca 0.05 -0.66 -0.42 0.00 -0.60 0.00 0.00 54.58 52.95 2kj4 n ASN 51 Cb 0.28 -4.62 -0.02 0.00 -0.53 0.00 0.00 39.78 34.89 2kj4 n ASN 51 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2kj4 n LEU 52 N -4.66 6.19 -4.47 1.20 7.94 -1.26 -4.90 117.00 117.04 2kj4 n LEU 52 Ca -0.08 -3.81 -0.26 0.00 -1.11 0.00 0.00 56.01 50.74 2kj4 n LEU 52 Cb 0.59 -1.51 -0.11 0.00 0.53 0.00 0.00 43.42 42.92 2kj4 n LEU 52 CO 0.67 0.76 -0.49 -0.54 -1.11 0.00 0.00 177.39 176.68 2kj4 s LYS 53 N 3.63 1.70 2.13 1.96 -0.14 -1.26 -4.47 119.74 123.29 2kj4 s LYS 53 Ca 0.50 -1.49 0.00 0.00 -1.36 0.00 0.00 55.97 53.63 2kj4 s LYS 53 Cb 0.14 -1.92 0.00 0.00 -1.68 0.00 0.00 37.83 34.37 2kj4 s LYS 53 CO -0.04 0.40 0.00 1.63 -0.76 0.00 0.00 175.35 176.58 2kj4 n LYS 54 N 0.07 0.00 -1.39 1.68 5.02 -1.26 -2.90 118.16 119.37 2kj4 n LYS 54 Ca -0.11 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.01 2kj4 n LYS 54 Cb 0.56 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.68 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 -1.07 4.25 -4.78 4.39 6.94 -1.26 -0.44 115.26 123.29 2kj4 n ASN 55 Ca 0.00 -3.79 -0.39 0.00 -0.02 0.00 0.00 54.58 50.38 2kj4 n ASN 55 Cb 0.00 -0.55 -0.06 0.00 -2.36 0.00 0.00 39.78 36.81 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 -3.49 3.81 0.15 -2.53 2.02 -1.14 -4.33 117.35 111.83 2kj4 s TYR 56 Ca 0.50 1.39 -0.31 0.00 -0.37 0.00 0.00 57.07 58.28 2kj4 s TYR 56 Cb 0.42 -2.64 -0.10 0.00 -0.40 0.00 0.00 41.96 39.24 2kj4 s TYR 56 CO 0.01 0.48 1.60 0.00 -1.57 0.00 0.00 175.55 176.07 2kj4 s ARG 58 N 1.47 1.38 -0.42 0.00 1.81 -0.55 -4.79 118.95 117.85 2kj4 s ARG 58 Ca 0.71 -1.73 0.05 0.00 -1.72 0.00 0.00 55.73 53.04 2kj4 s ARG 58 Cb -0.43 -0.39 0.19 0.00 -0.45 0.00 0.00 34.95 33.86 2kj4 s ARG 58 CO 0.32 -0.22 0.39 -1.71 -0.68 0.00 0.00 175.30 173.39 2kj4 n ASN 59 N -0.45 -0.20 0.04 0.23 2.85 -1.24 -0.94 115.26 115.57 2kj4 n ASN 59 Ca -0.02 -2.48 -0.17 0.00 -0.11 0.00 0.00 54.58 51.80 2kj4 n ASN 59 Cb 0.65 -0.58 -0.14 0.00 1.24 0.00 0.00 39.78 40.95 2kj4 n ASN 59 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2kj4 h PRO 60 N 5.25 0.23 -0.01 1.20 0.13 -1.88 -3.35 132.00 133.58 2kj4 h PRO 60 Ca 0.22 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2kj4 h PRO 60 Cb 0.90 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2kj4 h PRO 60 CO 0.41 1.07 -0.59 -0.40 -0.23 0.00 0.00 178.00 178.25 2kj4 n ASP 61 N -3.42 1.13 -1.60 1.44 5.75 -1.26 -4.98 116.55 113.62 2kj4 n ASP 61 Ca -0.19 -0.91 -0.01 0.00 -0.01 0.00 0.00 54.79 53.67 2kj4 n ASP 61 Cb 1.05 0.50 0.00 0.00 -1.03 0.00 0.00 41.12 41.64 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 -0.96 -0.12 -0.97 0.11 1.74 -1.26 -5.09 116.66 110.11 2kj4 n ARG 62 Ca 0.07 0.09 -0.15 0.00 -0.77 0.00 0.00 57.85 57.10 2kj4 n ARG 62 Cb 0.37 -1.74 0.11 0.00 -1.02 0.00 0.00 32.46 30.18 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 -1.54 -0.03 -0.10 0.55 -0.08 -1.26 -4.97 116.55 109.12 2kj4 n ASP 63 Ca -0.00 -1.23 -0.03 0.00 -1.51 0.00 0.00 54.79 52.02 2kj4 n ASP 63 Cb 0.51 -0.53 0.21 0.00 2.34 0.00 0.00 41.12 43.64 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 0.71 -7.57 -2.67 -0.00 -1.98 -3.45 115.31 100.35 2kj4 h LEU 64 Ca -0.22 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 57.51 2kj4 h LEU 64 Cb 0.62 -0.19 -0.10 0.00 -0.00 0.00 0.00 40.66 41.00 2kj4 h LEU 64 CO 0.16 0.73 0.10 0.00 -0.00 0.00 0.00 178.44 179.43 2kj4 s ARG 65 N -5.11 1.42 0.51 1.13 1.70 -1.26 -5.02 118.95 112.33 2kj4 s ARG 65 Ca -0.09 -0.79 -0.21 0.00 -0.47 0.00 0.00 55.73 54.16 2kj4 s ARG 65 Cb 0.15 0.55 -0.08 0.00 -0.57 0.00 0.00 34.95 35.00 2kj4 s ARG 65 CO 0.80 -0.62 0.95 -2.30 -1.08 0.00 0.00 175.30 173.05 2kj4 n PRO 66 N -0.37 1.11 -3.80 3.89 -0.02 -1.25 -4.82 135.00 129.74 2kj4 n PRO 66 Ca -0.11 0.41 -0.15 0.00 -2.02 0.00 0.00 63.50 61.64 2kj4 n PRO 66 Cb 0.62 -2.08 -0.05 0.00 -0.02 0.00 0.00 33.50 31.98 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 -1.11 -0.99 -3.50 6.00 4.27 -0.11 -0.44 117.44 121.56 2kj4 n TRP 67 Ca 0.11 -2.24 -0.12 0.00 -3.89 0.00 0.00 57.50 51.36 2kj4 n TRP 67 Cb 0.43 0.36 -0.03 0.00 -1.36 0.00 0.00 31.31 30.71 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 -2.50 3.27 0.10 0.00 0.08 -1.26 -1.15 117.98 116.53 2kj4 s PHE 69 Ca -0.01 1.61 -0.08 0.00 0.12 0.00 0.00 56.93 58.57 2kj4 s PHE 69 Cb -0.01 -2.89 -0.06 0.00 -0.57 0.00 0.00 43.02 39.50 2kj4 s PHE 69 CO -0.04 -0.22 0.39 0.95 -0.10 0.00 0.00 175.22 176.20 2kj4 s THR 70 N -2.13 5.12 -0.55 0.64 -4.23 -1.18 0.26 115.64 113.57 2kj4 s THR 70 Ca 0.62 0.30 0.24 0.00 -1.18 0.00 0.00 61.69 61.68 2kj4 s THR 70 Cb -0.11 -3.63 0.32 0.00 1.34 0.00 0.00 72.50 70.42 2kj4 s THR 70 CO 0.15 0.19 1.67 0.71 -0.54 0.00 0.00 174.62 176.80 2kj4 h THR 71 N 2.56 0.00 -3.30 3.99 1.35 -1.60 -3.40 112.91 112.50 2kj4 h THR 71 Ca -0.48 -0.80 -0.53 0.00 -0.55 0.00 0.00 66.41 64.06 2kj4 h THR 71 Cb 1.18 1.80 0.02 0.00 -1.73 0.00 0.00 68.15 69.42 2kj4 h THR 71 CO 0.69 0.00 0.60 -0.62 -0.25 0.00 0.00 175.52 175.94 2kj4 s ASP 72 N -5.57 7.01 0.43 5.36 2.15 -1.26 -4.83 116.67 119.96 2kj4 s ASP 72 Ca 0.08 2.21 0.21 0.00 0.43 0.00 0.00 52.55 55.49 2kj4 s ASP 72 Cb 0.08 -2.60 0.95 0.00 -0.30 0.00 0.00 42.92 41.05 2kj4 s ASP 72 CO 0.64 -0.47 1.86 -0.65 -0.17 0.00 0.00 175.17 176.39 2kj4 h PRO 73 N 5.96 0.00 0.01 4.34 0.11 -2.00 -3.16 132.00 137.26 2kj4 h PRO 73 Ca -0.43 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 2kj4 h PRO 73 Cb 1.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.33 2kj4 h PRO 73 CO 0.79 0.28 -0.39 -0.97 -0.21 0.00 0.00 178.00 177.50 2kj4 h ASN 74 N 0.00 0.33 -3.56 -2.05 -0.73 -1.97 -3.44 115.58 104.15 2kj4 h ASN 74 Ca -0.00 -0.79 -0.52 0.00 1.87 0.00 0.00 56.30 56.86 2kj4 h ASN 74 Cb 0.66 -0.10 -0.03 0.00 0.27 0.00 0.00 38.32 39.13 2kj4 h ASN 74 CO 0.04 1.08 0.29 -0.54 -0.37 0.00 0.00 177.43 177.92 2kj4 s LYS 75 N -3.07 4.66 -0.14 6.67 3.01 -1.20 -4.96 119.74 124.72 2kj4 s LYS 75 Ca -0.15 1.34 -0.17 0.00 -1.01 0.00 0.00 55.97 55.98 2kj4 s LYS 75 Cb 0.02 -3.34 -0.15 0.00 -1.01 0.00 0.00 37.83 33.34 2kj4 s LYS 75 CO 0.77 0.32 0.36 -0.09 0.51 0.00 0.00 175.35 177.22 2kj4 h ARG 76 N 5.21 0.00 -3.39 1.68 9.65 -1.86 -3.42 114.38 122.25 2kj4 h ARG 76 Ca -0.44 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.42 2kj4 h ARG 76 Cb 1.21 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.69 2kj4 h ARG 76 CO 0.70 0.59 -0.01 1.67 2.80 0.00 0.00 179.97 185.73 2kj4 s TRP 77 N -2.03 0.02 0.03 2.20 1.48 -1.26 -3.11 118.94 116.27 2kj4 s TRP 77 Ca -0.14 -0.38 -0.05 0.00 -1.06 0.00 0.00 56.10 54.47 2kj4 s TRP 77 Cb -0.00 0.35 -0.01 0.00 -1.16 0.00 0.00 33.47 32.64 2kj4 s TRP 77 CO 0.42 -0.96 0.08 -1.21 -4.06 0.00 0.00 176.95 171.22 2kj4 s GLU 78 N -3.92 0.56 0.64 3.25 0.41 -0.30 -4.84 118.70 114.50 2kj4 s GLU 78 Ca 0.13 -0.75 -0.14 0.00 -0.41 0.00 0.00 54.97 53.80 2kj4 s GLU 78 Cb -0.01 0.22 -0.01 0.00 -1.78 0.00 0.00 34.13 32.54 2kj4 s GLU 78 CO 0.01 -0.13 1.07 0.71 -0.49 0.00 0.00 175.26 176.43 2kj4 s TYR 79 N -2.52 2.89 -0.07 1.61 2.02 -1.26 -0.87 117.35 119.15 2kj4 s TYR 79 Ca -0.06 1.51 -0.02 0.00 -0.37 0.00 0.00 57.07 58.14 2kj4 s TYR 79 Cb -0.02 -3.03 -0.03 0.00 -0.40 0.00 0.00 41.96 38.48 2kj4 s TYR 79 CO -0.04 -1.33 0.01 0.00 -1.57 0.00 0.00 175.55 172.62 2kj4 s ASP 81 N -1.00 6.23 -0.05 0.00 2.15 -1.26 -4.64 116.67 118.10 2kj4 s ASP 81 Ca 0.14 -2.08 0.06 0.00 0.43 0.00 0.00 52.55 51.10 2kj4 s ASP 81 Cb -0.11 -2.17 -0.01 0.00 -0.30 0.00 0.00 42.92 40.33 2kj4 s ASP 81 CO 0.04 -0.74 -0.23 -0.63 -0.17 0.00 0.00 175.17 173.44 2kj4 s ILE 82 N 1.13 1.89 0.39 4.11 1.01 -1.26 -4.87 121.20 123.59 2kj4 s ILE 82 Ca 0.08 -0.98 -0.23 0.00 0.00 0.00 0.00 60.65 59.52 2kj4 s ILE 82 Cb -0.24 -1.60 -0.14 0.00 0.01 0.00 0.00 42.46 40.49 2kj4 s ILE 82 CO -0.01 0.53 0.42 -2.65 0.00 0.00 0.00 174.94 173.23 2kj4 n PRO 83 N 2.97 0.36 -4.36 2.79 -0.02 -1.26 -4.86 135.00 130.63 2kj4 n PRO 83 Ca -0.17 0.13 -0.27 0.00 -2.02 0.00 0.00 63.50 61.17 2kj4 n PRO 83 Cb 0.52 -1.31 -0.13 0.00 -0.02 0.00 0.00 33.50 32.57 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 -1.34 1.32 -0.16 -0.52 1.70 -1.26 -0.40 118.95 118.29 2kj4 s ARG 84 Ca 0.62 -1.32 -0.01 0.00 -0.47 0.00 0.00 55.73 54.55 2kj4 s ARG 84 Cb -0.65 -1.69 0.04 0.00 -0.57 0.00 0.00 34.95 32.08 2kj4 s ARG 84 CO 0.59 0.39 -0.03 0.00 -1.08 0.00 0.00 175.30 175.18 2kj4 n ALA 86 N 4.95 0.00 1.47 0.00 0.00 -1.26 -4.48 120.51 121.19 2kj4 n ALA 86 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.45 2kj4 n ALA 86 Cb 0.48 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.63 2kj4 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50