#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 4.41 0.00 2.97 1.01 -1.26 -4.57 120.40 122.97 2kj4 s VAL 2 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.42 2kj4 s VAL 2 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2kj4 s VAL 2 CO 0.00 -0.39 0.00 -0.62 0.00 0.00 0.00 175.10 174.09 2kj4 n GLU 3 N -1.91 0.00 -3.07 2.72 -0.58 -1.26 -4.82 120.64 111.72 2kj4 n GLU 3 Ca -0.01 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.30 2kj4 n GLU 3 Cb 0.57 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.38 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 0.00 3.08 -0.33 -0.32 0.08 -1.26 -4.86 117.98 114.36 2kj4 s PHE 4 Ca 0.00 0.14 0.09 0.00 0.12 0.00 0.00 56.93 57.28 2kj4 s PHE 4 Cb 0.00 -3.35 0.61 0.00 -0.57 0.00 0.00 43.02 39.71 2kj4 s PHE 4 CO 0.00 -0.82 1.67 -1.13 -0.10 0.00 0.00 175.22 174.85 2kj4 n SER 5 N 6.30 3.56 -4.20 1.36 3.41 -1.26 -4.84 113.62 117.95 2kj4 n SER 5 Ca -0.00 -3.51 -0.39 0.00 -0.26 0.00 0.00 58.87 54.70 2kj4 n SER 5 Cb 0.48 -0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 63.62 2kj4 n SER 5 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2kj4 s GLU 6 N -3.16 2.38 0.00 4.33 0.41 -1.26 -4.76 118.70 116.64 2kj4 s GLU 6 Ca 0.50 -1.69 0.00 0.00 -0.41 0.00 0.00 54.97 53.38 2kj4 s GLU 6 Cb 0.43 -3.77 0.00 0.00 -1.78 0.00 0.00 34.13 29.01 2kj4 s GLU 6 CO 0.07 -1.08 0.00 -1.91 -0.49 0.00 0.00 175.26 171.85 2kj4 n GLU 7 N 4.81 0.00 -3.85 1.61 2.13 -1.26 -5.06 120.64 119.02 2kj4 n GLU 7 Ca -0.07 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.63 2kj4 n GLU 7 Cb 0.41 -0.34 -0.11 0.00 0.27 0.00 0.00 31.44 31.68 2kj4 n GLU 7 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kj4 s MET 9 N -0.76 1.94 0.06 0.00 1.75 0.14 -4.64 119.30 117.80 2kj4 s MET 9 Ca -0.08 -1.06 -0.18 0.00 -1.25 0.00 0.00 55.69 53.11 2kj4 s MET 9 Cb -0.05 -2.13 -0.06 0.00 2.84 0.00 0.00 34.83 35.42 2kj4 s MET 9 CO 0.01 0.52 0.53 -3.38 -0.65 0.00 0.00 175.02 172.05 2kj4 s HIS 10 N -0.97 3.77 0.00 4.11 -3.43 -1.24 -0.14 115.29 117.38 2kj4 s HIS 10 Ca 0.15 1.20 0.00 0.00 -0.80 0.00 0.00 55.06 55.61 2kj4 s HIS 10 Cb -0.10 -2.44 0.00 0.00 -1.43 0.00 0.00 32.58 28.60 2kj4 s HIS 10 CO 0.06 0.59 0.00 0.41 -2.00 0.00 0.00 174.74 173.80 2kj4 n GLY 11 N 1.65 0.36 0.44 -1.38 0.00 -1.26 -3.63 105.19 101.38 2kj4 n GLY 11 Ca -0.11 -1.06 0.13 0.00 0.00 0.00 0.00 46.02 44.98 2kj4 n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kj4 n SER 12 N 3.13 1.55 0.00 1.61 7.64 -1.26 -4.94 113.62 121.35 2kj4 n SER 12 Ca 0.00 -1.31 0.00 0.00 1.01 0.00 0.00 58.87 58.57 2kj4 n SER 12 Cb 0.00 0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 2kj4 n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kj4 n GLY 13 N 1.30 0.78 0.24 0.23 0.00 -1.24 -2.99 105.19 103.51 2kj4 n GLY 13 Ca 0.14 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 2.32 0.00 -0.15 1.61 5.08 -1.85 -1.86 114.58 119.73 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 0.19 0.00 -1.71 -1.00 0.00 0.00 179.01 176.49 2kj4 n ASN 15 N -3.46 1.40 -4.72 1.42 4.05 -1.26 -4.78 115.26 107.91 2kj4 n ASN 15 Ca -0.01 -1.69 -0.39 0.00 0.45 0.00 0.00 54.58 52.94 2kj4 n ASN 15 Cb 0.37 -0.10 -0.05 0.00 1.23 0.00 0.00 39.78 41.23 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 -1.80 3.58 -0.06 1.20 5.04 -0.70 -4.93 117.35 119.68 2kj4 s TYR 16 Ca 0.30 1.19 0.10 0.00 -2.44 0.00 0.00 57.07 56.22 2kj4 s TYR 16 Cb 0.16 -2.75 0.17 0.00 0.35 0.00 0.00 41.96 39.89 2kj4 s TYR 16 CO 0.24 0.12 1.08 -0.40 -1.34 0.00 0.00 175.55 175.26 2kj4 n ASP 17 N 3.66 1.04 -4.71 4.32 5.75 -1.26 -4.82 116.55 120.53 2kj4 n ASP 17 Ca -0.03 -2.51 -0.30 0.00 -0.01 0.00 0.00 54.79 51.94 2kj4 n ASP 17 Cb 0.51 -0.31 0.14 0.00 -1.03 0.00 0.00 41.12 40.43 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 -1.90 1.64 -0.35 6.12 0.00 -1.26 -4.95 107.32 106.62 2kj4 s GLY 18 Ca 0.17 0.10 0.08 0.00 0.00 0.00 0.00 44.72 45.07 2kj4 s GLY 18 CO -0.01 0.56 1.80 0.28 0.00 0.00 0.00 173.10 175.73 2kj4 n LYS 19 N -3.89 3.26 -1.94 2.90 5.02 -1.26 -4.55 118.16 117.69 2kj4 n LYS 19 Ca 0.08 -2.94 -0.40 0.00 -2.02 0.00 0.00 58.31 53.03 2kj4 n LYS 19 Cb 0.54 -2.17 -0.00 0.00 -0.02 0.00 0.00 35.03 33.37 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 -2.96 2.36 -0.01 -0.18 2.07 -1.26 -4.85 121.20 116.38 2kj4 s ILE 20 Ca 0.54 0.35 0.01 0.00 -1.41 0.00 0.00 60.65 60.13 2kj4 s ILE 20 Cb 0.43 -3.22 0.01 0.00 0.13 0.00 0.00 42.46 39.82 2kj4 s ILE 20 CO 0.12 0.07 0.81 -1.54 -1.91 0.00 0.00 174.94 172.49 2kj4 n SER 21 N 0.39 1.16 -4.21 4.50 3.41 -1.26 -1.11 113.62 116.49 2kj4 n SER 21 Ca 0.02 -1.64 -0.22 0.00 -0.26 0.00 0.00 58.87 56.76 2kj4 n SER 21 Cb 0.41 -0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 64.21 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 -0.65 1.08 0.00 4.33 1.02 -1.26 -1.55 119.74 122.72 2kj4 s LYS 22 Ca 0.01 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.06 2kj4 s LYS 22 Cb 0.01 -1.18 0.00 0.00 -0.52 0.00 0.00 37.83 36.14 2kj4 s LYS 22 CO 0.00 0.29 0.00 0.25 -0.92 0.00 0.00 175.35 174.97 2kj4 n THR 23 N 1.58 0.00 0.24 2.17 -2.24 -0.24 -4.74 114.28 111.06 2kj4 n THR 23 Ca -0.19 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.67 2kj4 n THR 23 Cb 0.54 -1.92 0.59 0.00 -2.10 0.00 0.00 70.33 67.44 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 -0.69 -0.61 114.93 112.85 2kj4 h MET 24 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2kj4 h MET 24 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2kj4 h MET 24 CO 0.00 0.11 -0.73 0.43 -0.00 0.00 0.00 176.91 176.72 2kj4 n SER 25 N -4.31 0.66 0.00 -0.10 7.64 -1.26 -4.89 113.62 111.36 2kj4 n SER 25 Ca -0.03 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2kj4 n SER 25 Cb 0.19 0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 1.35 0.80 3.86 0.23 0.00 -0.24 -5.06 105.19 106.14 2kj4 n GLY 26 Ca 0.03 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 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 3.32 -0.04 0.99 1.43 -1.26 -4.58 118.68 118.54 2kj4 s LEU 27 Ca 0.00 1.48 -0.30 0.00 -1.03 0.00 0.00 54.13 54.28 2kj4 s LEU 27 Cb 0.00 -4.48 -0.02 0.00 0.03 0.00 0.00 46.19 41.71 2kj4 s LEU 27 CO 0.00 -0.85 0.98 -0.70 0.23 0.00 0.00 176.35 176.01 2kj4 s GLU 28 N -4.89 4.50 0.48 1.70 2.56 -1.26 -1.08 118.70 120.71 2kj4 s GLU 28 Ca 0.56 1.38 -0.20 0.00 0.00 0.00 0.00 54.97 56.71 2kj4 s GLU 28 Cb -0.11 -3.49 -0.09 0.00 2.00 0.00 0.00 34.13 32.44 2kj4 s GLU 28 CO 0.48 -0.14 1.02 0.00 -0.56 0.00 0.00 175.26 176.06 2kj4 s GLN 30 N -3.25 4.28 0.29 0.00 0.74 0.15 -4.54 119.66 117.34 2kj4 s GLN 30 Ca 0.66 0.61 -0.30 0.00 0.05 0.00 0.00 55.36 56.39 2kj4 s GLN 30 Cb -0.15 -3.52 -0.12 0.00 1.10 0.00 0.00 33.01 30.32 2kj4 s GLN 30 CO 0.19 -0.08 1.47 0.00 -0.55 0.00 0.00 175.29 176.32 2kj4 n ALA 31 N 4.47 1.85 0.33 1.58 0.00 -1.26 -4.39 120.51 123.09 2kj4 n ALA 31 Ca -0.03 0.38 0.21 0.00 0.00 0.00 0.00 53.44 54.01 2kj4 n ALA 31 Cb 0.50 -2.36 1.12 0.00 0.00 0.00 0.00 19.45 18.72 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 4.01 0.00 0.00 0.00 4.06 -0.77 0.46 115.95 123.70 2kj4 h TRP 32 Ca -0.47 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.35 2kj4 h TRP 32 Cb 1.25 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.39 2kj4 h TRP 32 CO 0.56 0.00 -0.65 0.22 -3.56 0.00 0.00 178.44 175.01 2kj4 h ASP 33 N 0.00 0.00 -3.31 -3.49 3.58 -1.84 -3.38 116.42 107.99 2kj4 h ASP 33 Ca -0.00 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.87 2kj4 h ASP 33 Cb 0.08 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.04 2kj4 h ASP 33 CO 0.00 0.61 -0.21 -0.55 -2.88 0.00 0.00 179.24 176.21 2kj4 s SER 34 N -6.48 6.60 -0.06 2.28 0.15 0.15 -4.93 113.70 111.41 2kj4 s SER 34 Ca 0.03 0.71 0.15 0.00 0.70 0.00 0.00 55.95 57.53 2kj4 s SER 34 Cb 0.08 -2.25 0.52 0.00 -1.71 0.00 0.00 66.02 62.66 2kj4 s SER 34 CO 0.76 0.05 1.40 1.67 1.20 0.00 0.00 173.24 178.32 2kj4 n GLN 35 N 3.58 2.77 -3.76 5.44 -0.06 -1.26 -4.77 117.38 119.32 2kj4 n GLN 35 Ca -0.09 -2.06 -0.15 0.00 -2.00 0.00 0.00 57.00 52.70 2kj4 n GLN 35 Cb 0.52 -1.63 -0.16 0.00 -4.06 0.00 0.00 30.24 24.91 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 -0.86 0.13 0.04 1.69 1.04 -1.26 -3.84 113.70 110.65 2kj4 s SER 36 Ca 0.37 0.08 0.19 0.00 0.48 0.00 0.00 55.95 57.07 2kj4 s SER 36 Cb 0.23 -0.04 -0.16 0.00 0.10 0.00 0.00 66.02 66.15 2kj4 s SER 36 CO 0.20 -0.14 0.72 -0.81 0.98 0.00 0.00 173.24 174.19 2kj4 n PRO 37 N 4.28 0.63 -3.31 4.02 -0.04 -1.26 -4.92 135.00 134.40 2kj4 n PRO 37 Ca -0.26 0.10 -0.38 0.00 -0.04 0.00 0.00 63.50 62.92 2kj4 n PRO 37 Cb 0.50 -1.73 -0.06 0.00 -0.04 0.00 0.00 33.50 32.17 2kj4 n PRO 37 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2kj4 s HIS 38 N -3.07 3.48 0.00 0.54 3.76 -1.26 -5.04 115.29 113.71 2kj4 s HIS 38 Ca -0.04 0.85 -0.30 0.00 -0.15 0.00 0.00 55.06 55.41 2kj4 s HIS 38 Cb 0.09 -2.56 -0.04 0.00 1.11 0.00 0.00 32.58 31.19 2kj4 s HIS 38 CO 0.83 0.12 1.06 0.00 -0.85 0.00 0.00 174.74 175.89 2kj4 s ALA 39 N 0.82 3.27 0.03 -1.40 0.00 -1.25 -4.61 121.76 118.61 2kj4 s ALA 39 Ca 0.25 0.62 -0.06 0.00 0.00 0.00 0.00 51.96 52.77 2kj4 s ALA 39 Cb -0.15 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 2kj4 s ALA 39 CO 0.10 -0.35 0.11 -3.38 0.00 0.00 0.00 175.76 172.23 2kj4 s HIS 40 N 1.19 0.15 -1.85 0.00 -3.43 -1.26 -5.03 115.29 105.06 2kj4 s HIS 40 Ca 0.54 -0.38 0.19 0.00 -0.80 0.00 0.00 55.06 54.61 2kj4 s HIS 40 Cb -0.23 -0.11 0.59 0.00 -1.43 0.00 0.00 32.58 31.39 2kj4 s HIS 40 CO 0.27 -0.34 1.49 0.41 -2.00 0.00 0.00 174.74 174.57 2kj4 n GLY 41 N 1.01 2.11 2.92 -1.38 0.00 -1.26 -4.66 105.19 103.93 2kj4 n GLY 41 Ca -0.20 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 1.33 3.08 -3.18 1.61 4.02 -1.26 -4.95 117.16 117.81 2kj4 n TYR 42 Ca 0.22 -2.83 -0.39 0.00 -0.01 0.00 0.00 57.90 54.89 2kj4 n TYR 42 Cb 0.60 -1.93 -0.05 0.00 -0.02 0.00 0.00 39.34 37.93 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 0.31 5.11 -0.96 -0.72 -1.09 -1.26 -4.68 121.20 117.91 2kj4 s ILE 43 Ca 0.39 1.18 0.09 0.00 -2.23 0.00 0.00 60.65 60.09 2kj4 s ILE 43 Cb 0.08 -3.92 0.08 0.00 -1.58 0.00 0.00 42.46 37.12 2kj4 s ILE 43 CO 0.01 0.27 1.28 -2.65 -1.23 0.00 0.00 174.94 172.62 2kj4 n PRO 44 N 3.89 0.01 0.09 2.79 -0.02 -1.26 -1.08 135.00 139.43 2kj4 n PRO 44 Ca -0.04 0.37 -0.19 0.00 -2.02 0.00 0.00 63.50 61.62 2kj4 n PRO 44 Cb 0.51 -1.53 -0.11 0.00 -0.02 0.00 0.00 33.50 32.35 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 0.71 0.54 2.55 0.02 -1.93 -2.91 113.55 112.53 2kj4 h SER 45 Ca 0.00 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 2kj4 h SER 45 Cb 0.14 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2kj4 h SER 45 CO 0.00 1.48 -1.39 2.29 -1.14 0.00 0.00 176.83 178.07 2kj4 n LYS 46 N -3.72 0.58 -3.26 3.45 2.85 -0.58 -4.35 118.16 113.13 2kj4 n LYS 46 Ca -0.11 -0.02 -0.25 0.00 -1.05 0.00 0.00 58.31 56.88 2kj4 n LYS 46 Cb 0.97 -1.68 -0.07 0.00 -0.65 0.00 0.00 35.03 33.60 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 -2.43 2.39 0.16 5.58 3.72 -0.24 -4.84 117.46 121.80 2kj4 n PHE 47 Ca -0.01 -3.95 0.05 0.00 -0.05 0.00 0.00 57.45 53.49 2kj4 n PHE 47 Cb 0.54 -0.48 0.08 0.00 -0.94 0.00 0.00 39.48 38.68 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 3.81 0.00 0.00 -1.08 0.13 -1.71 -3.33 132.00 129.83 2kj4 h PRO 48 Ca 0.15 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 2kj4 h PRO 48 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 2kj4 h PRO 48 CO 0.71 0.37 -0.06 -2.95 -0.23 0.00 0.00 178.00 175.84 2kj4 h ASN 49 N 0.00 0.00 -0.59 1.44 -1.07 -1.88 -0.21 115.58 113.27 2kj4 h ASN 49 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2kj4 h ASN 49 Cb 1.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.52 2kj4 h ASN 49 CO 0.05 0.06 0.00 0.29 0.07 0.00 0.00 177.43 177.89 2kj4 n LYS 50 N -4.43 3.03 -3.38 4.14 4.76 -1.25 -4.98 118.16 116.04 2kj4 n LYS 50 Ca -0.03 -2.57 -0.20 0.00 -2.87 0.00 0.00 58.31 52.64 2kj4 n LYS 50 Cb 0.14 -1.58 0.06 0.00 -1.84 0.00 0.00 35.03 31.81 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 1.12 -6.24 -4.57 4.39 5.15 -0.09 -4.79 115.26 110.22 2kj4 n ASN 51 Ca 0.21 -0.80 -0.38 0.00 -0.60 0.00 0.00 54.58 53.01 2kj4 n ASN 51 Cb 0.65 -4.67 -0.03 0.00 -0.53 0.00 0.00 39.78 35.21 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 -5.72 3.52 0.03 1.20 1.02 -1.25 -4.95 118.68 112.53 2kj4 s LEU 52 Ca 0.46 -1.82 0.01 0.00 0.02 0.00 0.00 54.13 52.80 2kj4 s LEU 52 Cb -0.09 -2.58 -0.04 0.00 0.02 0.00 0.00 46.19 43.50 2kj4 s LEU 52 CO 0.78 -1.79 0.07 -0.54 0.02 0.00 0.00 176.35 174.88 2kj4 s LYS 53 N 5.17 2.97 0.00 1.70 -0.14 -1.26 -4.67 119.74 123.50 2kj4 s LYS 53 Ca 0.56 -0.57 0.00 0.00 -1.36 0.00 0.00 55.97 54.60 2kj4 s LYS 53 Cb 0.01 -2.79 0.00 0.00 -1.68 0.00 0.00 37.83 33.37 2kj4 s LYS 53 CO 0.03 0.62 0.00 1.63 -0.76 0.00 0.00 175.35 176.86 2kj4 n LYS 54 N 0.95 0.00 -2.62 1.68 4.76 -1.26 -2.06 118.16 119.60 2kj4 n LYS 54 Ca -0.12 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.25 2kj4 n LYS 54 Cb 0.52 0.00 0.04 0.00 -1.84 0.00 0.00 35.03 33.75 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 2.36 2.44 -4.82 4.39 6.94 -1.26 -0.05 115.26 125.25 2kj4 n ASN 55 Ca 0.00 -2.55 -0.35 0.00 -0.02 0.00 0.00 54.58 51.67 2kj4 n ASN 55 Cb 0.00 -0.45 -0.06 0.00 -2.36 0.00 0.00 39.78 36.90 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 -3.68 3.52 -0.29 -2.53 2.02 -0.88 -4.29 117.35 111.23 2kj4 s TYR 56 Ca 0.33 1.44 -0.29 0.00 -0.37 0.00 0.00 57.07 58.18 2kj4 s TYR 56 Cb 0.36 -2.68 -0.01 0.00 -0.40 0.00 0.00 41.96 39.23 2kj4 s TYR 56 CO -0.02 0.18 1.47 0.00 -1.57 0.00 0.00 175.55 175.60 2kj4 s ARG 58 N 4.57 1.74 -0.43 0.00 1.81 -0.69 -4.75 118.95 121.20 2kj4 s ARG 58 Ca 0.64 -1.86 0.02 0.00 -1.72 0.00 0.00 55.73 52.82 2kj4 s ARG 58 Cb -0.20 -1.68 0.14 0.00 -0.45 0.00 0.00 34.95 32.77 2kj4 s ARG 58 CO 0.27 0.21 0.26 1.21 -0.68 0.00 0.00 175.30 176.58 2kj4 s ASN 59 N -3.55 3.21 -0.08 0.23 3.84 -1.26 -1.48 114.94 115.84 2kj4 s ASN 59 Ca 0.31 -2.64 0.05 0.00 0.21 0.00 0.00 52.86 50.78 2kj4 s ASN 59 Cb -0.00 -0.80 -0.24 0.00 -0.55 0.00 0.00 41.25 39.65 2kj4 s ASN 59 CO 0.15 -0.25 0.54 -0.81 -2.79 0.00 0.00 177.10 173.94 2kj4 n PRO 60 N 3.48 0.69 0.30 0.43 -0.04 -1.26 -4.43 135.00 134.16 2kj4 n PRO 60 Ca 0.13 0.28 0.16 0.00 -0.04 0.00 0.00 63.50 64.03 2kj4 n PRO 60 Cb 0.37 -1.76 0.93 0.00 -0.04 0.00 0.00 33.50 33.00 2kj4 n PRO 60 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2kj4 h ASP 61 N 0.03 0.00 -4.25 3.54 5.19 -1.98 -3.46 116.42 115.49 2kj4 h ASP 61 Ca -0.34 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 55.83 2kj4 h ASP 61 Cb 2.02 0.00 0.10 0.00 0.18 0.00 0.00 39.33 41.64 2kj4 h ASP 61 CO 0.08 0.02 -0.47 0.54 -3.12 0.00 0.00 179.24 176.29 2kj4 n ARG 62 N -3.73 -4.67 -2.02 3.56 3.00 -1.26 -5.05 116.66 106.50 2kj4 n ARG 62 Ca -0.03 0.54 -0.27 0.00 -0.01 0.00 0.00 57.85 58.08 2kj4 n ARG 62 Cb 0.10 -4.68 0.18 0.00 0.00 0.00 0.00 32.46 28.06 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 -1.95 0.41 0.26 0.55 -0.08 -1.26 -4.97 116.55 109.51 2kj4 n ASP 63 Ca -0.10 -1.63 0.13 0.00 -1.51 0.00 0.00 54.79 51.68 2kj4 n ASP 63 Cb 0.58 -0.90 0.67 0.00 2.34 0.00 0.00 41.12 43.81 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 0.00 -7.27 -2.67 4.07 -1.97 -3.45 115.31 104.01 2kj4 h LEU 64 Ca -0.39 0.00 0.18 0.00 0.08 0.00 0.00 57.88 57.75 2kj4 h LEU 64 Cb 1.16 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 42.78 2kj4 h LEU 64 CO 0.31 0.13 0.57 0.00 -1.08 0.00 0.00 178.44 178.37 2kj4 s ARG 65 N -3.93 0.84 0.73 1.13 1.70 -1.24 -4.64 118.95 113.54 2kj4 s ARG 65 Ca -0.01 -0.40 -0.15 0.00 -0.47 0.00 0.00 55.73 54.70 2kj4 s ARG 65 Cb 0.11 0.33 0.04 0.00 -0.57 0.00 0.00 34.95 34.86 2kj4 s ARG 65 CO 0.58 -0.38 1.22 -2.14 -1.08 0.00 0.00 175.30 173.50 2kj4 s PRO 66 N -3.01 2.11 0.26 3.89 0.02 -1.16 -4.84 135.00 132.27 2kj4 s PRO 66 Ca 0.09 1.80 -0.02 0.00 0.02 0.00 0.00 61.00 62.90 2kj4 s PRO 66 Cb -0.00 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.70 2kj4 s PRO 66 CO -0.04 -1.87 0.37 -2.67 -0.33 0.00 0.00 177.00 172.46 2kj4 n TRP 67 N -2.71 -1.21 -3.49 6.54 4.27 -0.55 -0.77 117.44 119.52 2kj4 n TRP 67 Ca 0.14 -1.74 -0.15 0.00 -3.89 0.00 0.00 57.50 51.86 2kj4 n TRP 67 Cb 0.50 0.42 -0.04 0.00 -1.36 0.00 0.00 31.31 30.82 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 -2.18 3.17 -0.02 0.00 0.08 -1.26 -1.54 117.98 116.22 2kj4 s PHE 69 Ca -0.05 1.61 -0.08 0.00 0.12 0.00 0.00 56.93 58.52 2kj4 s PHE 69 Cb -0.00 -3.00 -0.05 0.00 -0.57 0.00 0.00 43.02 39.40 2kj4 s PHE 69 CO 0.00 -0.52 0.27 0.95 -0.10 0.00 0.00 175.22 175.82 2kj4 s THR 70 N -1.97 5.30 -2.42 0.64 -4.23 -0.79 0.33 115.64 112.49 2kj4 s THR 70 Ca 0.63 0.32 0.25 0.00 -1.18 0.00 0.00 61.69 61.71 2kj4 s THR 70 Cb -0.15 -3.55 0.50 0.00 1.34 0.00 0.00 72.50 70.63 2kj4 s THR 70 CO 0.19 0.47 1.64 1.07 -0.54 0.00 0.00 174.62 177.45 2kj4 n THR 71 N 1.47 0.10 -2.58 3.99 5.66 -0.51 -4.46 114.28 117.95 2kj4 n THR 71 Ca -0.14 -0.31 -0.42 0.00 -3.05 0.00 0.00 64.05 60.13 2kj4 n THR 71 Cb 0.53 0.49 -0.03 0.00 -1.55 0.00 0.00 70.33 69.77 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 -1.81 7.27 0.05 1.09 2.15 -1.26 -4.90 116.67 119.26 2kj4 s ASP 72 Ca 0.35 1.88 0.15 0.00 0.43 0.00 0.00 52.55 55.36 2kj4 s ASP 72 Cb 0.20 -2.58 0.65 0.00 -0.30 0.00 0.00 42.92 40.88 2kj4 s ASP 72 CO 0.30 -0.30 1.48 -2.65 -0.17 0.00 0.00 175.17 173.83 2kj4 n PRO 73 N 3.48 0.04 -0.00 4.34 -0.02 -1.26 -2.87 135.00 138.71 2kj4 n PRO 73 Ca 0.06 0.31 -0.21 0.00 -2.02 0.00 0.00 63.50 61.63 2kj4 n PRO 73 Cb 0.48 -1.58 -0.14 0.00 -0.02 0.00 0.00 33.50 32.25 2kj4 n PRO 73 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2kj4 h ASN 74 N 0.00 0.35 -3.08 2.55 -0.00 -1.96 -3.46 115.58 109.98 2kj4 h ASN 74 Ca 0.00 -0.84 -0.61 0.00 -0.00 0.00 0.00 56.30 54.86 2kj4 h ASN 74 Cb 0.25 -0.11 -0.07 0.00 -0.00 0.00 0.00 38.32 38.38 2kj4 h ASN 74 CO 0.00 1.63 -0.26 -0.54 -0.00 0.00 0.00 177.43 178.26 2kj4 s LYS 75 N -2.48 4.01 -0.14 6.67 3.01 -1.14 -4.97 119.74 124.70 2kj4 s LYS 75 Ca -0.21 0.27 -0.25 0.00 -1.01 0.00 0.00 55.97 54.77 2kj4 s LYS 75 Cb 0.05 -3.30 -0.22 0.00 -1.01 0.00 0.00 37.83 33.34 2kj4 s LYS 75 CO 0.75 0.51 0.63 -0.09 0.51 0.00 0.00 175.35 177.66 2kj4 h ARG 76 N 5.53 0.00 -3.83 1.68 2.43 -1.87 -3.40 114.38 114.93 2kj4 h ARG 76 Ca -0.48 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.60 2kj4 h ARG 76 Cb 1.20 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.63 2kj4 h ARG 76 CO 0.67 0.87 -0.26 1.67 -1.51 0.00 0.00 179.97 181.41 2kj4 s TRP 77 N -2.15 0.39 0.10 2.20 1.48 -1.26 -1.89 118.94 117.80 2kj4 s TRP 77 Ca -0.17 -0.74 -0.07 0.00 -1.06 0.00 0.00 56.10 54.05 2kj4 s TRP 77 Cb -0.02 0.01 -0.01 0.00 -1.16 0.00 0.00 33.47 32.29 2kj4 s TRP 77 CO 0.60 -0.79 0.17 -1.21 -4.06 0.00 0.00 176.95 171.65 2kj4 s GLU 78 N -3.98 0.87 0.67 3.25 2.02 -0.59 -4.81 118.70 116.13 2kj4 s GLU 78 Ca 0.19 -1.07 -0.12 0.00 0.02 0.00 0.00 54.97 53.99 2kj4 s GLU 78 Cb 0.02 0.32 -0.01 0.00 0.10 0.00 0.00 34.13 34.57 2kj4 s GLU 78 CO 0.03 -0.27 1.05 0.71 0.02 0.00 0.00 175.26 176.80 2kj4 s TYR 79 N -3.90 3.15 -0.06 1.61 2.02 -1.26 -1.43 117.35 117.48 2kj4 s TYR 79 Ca 0.09 1.42 0.02 0.00 -0.37 0.00 0.00 57.07 58.24 2kj4 s TYR 79 Cb 0.05 -2.88 -0.03 0.00 -0.40 0.00 0.00 41.96 38.70 2kj4 s TYR 79 CO -0.08 -1.13 -0.12 0.00 -1.57 0.00 0.00 175.55 172.65 2kj4 s ASP 81 N -0.62 6.85 -0.18 0.00 -1.08 -1.26 -4.51 116.67 115.86 2kj4 s ASP 81 Ca 0.09 -2.73 -0.20 0.00 -0.52 0.00 0.00 52.55 49.19 2kj4 s ASP 81 Cb -0.11 -2.26 -0.03 0.00 -1.46 0.00 0.00 42.92 39.06 2kj4 s ASP 81 CO 0.01 -0.64 0.59 -0.63 0.52 0.00 0.00 175.17 175.03 2kj4 s ILE 82 N 0.54 5.06 0.18 4.11 -1.09 -1.26 -4.99 121.20 123.75 2kj4 s ILE 82 Ca 0.25 1.12 -0.33 0.00 -2.23 0.00 0.00 60.65 59.46 2kj4 s ILE 82 Cb -0.08 -3.91 -0.15 0.00 -1.58 0.00 0.00 42.46 36.73 2kj4 s ILE 82 CO -0.08 0.15 1.23 -2.65 -1.23 0.00 0.00 174.94 172.37 2kj4 n PRO 83 N 4.79 1.35 -4.68 2.79 -0.02 -1.26 -4.86 135.00 133.10 2kj4 n PRO 83 Ca -0.03 0.48 -0.33 0.00 -2.02 0.00 0.00 63.50 61.60 2kj4 n PRO 83 Cb 0.50 -2.03 -0.13 0.00 -0.02 0.00 0.00 33.50 31.82 2kj4 n PRO 83 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2kj4 s ARG 84 N -0.28 3.11 0.11 -0.52 0.52 -1.26 0.27 118.95 120.91 2kj4 s ARG 84 Ca 0.73 -0.62 0.10 0.00 -0.52 0.00 0.00 55.73 55.43 2kj4 s ARG 84 Cb -0.82 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 2kj4 s ARG 84 CO 0.51 0.42 -0.26 0.00 0.02 0.00 0.00 175.30 175.99 2kj4 h ALA 86 N 4.03 0.27 0.00 0.00 0.00 -1.98 -3.31 119.26 118.28 2kj4 h ALA 86 Ca -0.50 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2kj4 h ALA 86 Cb 1.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2kj4 h ALA 86 CO 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.59