#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj4 n VAL 2 N 0.00 1.61 -4.65 -0.72 0.31 -1.26 -4.93 118.33 108.69 2kj4 n VAL 2 Ca 0.00 -0.69 -0.28 0.00 -0.01 0.00 0.00 64.34 63.36 2kj4 n VAL 2 Cb 0.00 -1.31 -0.06 0.00 -0.91 0.00 0.00 33.84 31.56 2kj4 n VAL 2 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2kj4 n GLU 3 N -3.22 0.90 -0.01 5.55 4.71 -1.26 -4.85 120.64 122.46 2kj4 n GLU 3 Ca -0.33 -3.24 -0.00 0.00 -0.01 0.00 0.00 57.16 53.57 2kj4 n GLU 3 Cb 1.05 0.92 -0.00 0.00 -1.01 0.00 0.00 31.44 32.39 2kj4 n GLU 3 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 2kj4 h PHE 4 N 1.25 0.00 -1.76 -0.32 3.57 -1.89 -3.46 116.94 114.32 2kj4 h PHE 4 Ca -0.37 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 60.91 2kj4 h PHE 4 Cb 1.12 0.00 -0.29 0.00 2.79 0.00 0.00 35.95 39.57 2kj4 h PHE 4 CO 0.00 0.00 -0.56 -1.12 -2.23 0.00 0.00 178.31 174.40 2kj4 s SER 5 N -3.74 0.58 0.10 0.41 0.01 -1.26 -5.03 113.70 104.78 2kj4 s SER 5 Ca -0.01 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2kj4 s SER 5 Cb 0.00 0.99 0.00 0.00 0.21 0.00 0.00 66.02 67.22 2kj4 s SER 5 CO 0.02 -0.34 0.00 -0.62 0.41 0.00 0.00 173.24 172.70 2kj4 n GLU 6 N 5.19 -0.79 -1.02 12.44 1.02 -1.26 -4.48 120.64 131.73 2kj4 n GLU 6 Ca 0.02 0.55 -0.16 0.00 -0.02 0.00 0.00 57.16 57.55 2kj4 n GLU 6 Cb 0.49 -0.96 -0.04 0.00 -0.02 0.00 0.00 31.44 30.91 2kj4 n GLU 6 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2kj4 n GLU 7 N -2.22 1.88 -3.88 3.49 1.02 -1.26 -4.79 120.64 114.88 2kj4 n GLU 7 Ca -0.00 -1.42 -0.03 0.00 -0.02 0.00 0.00 57.16 55.68 2kj4 n GLU 7 Cb 0.18 -1.74 0.02 0.00 -0.02 0.00 0.00 31.44 29.88 2kj4 n GLU 7 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kj4 s MET 9 N -2.19 3.50 -0.49 0.00 0.23 0.19 -4.71 119.30 115.83 2kj4 s MET 9 Ca 0.22 -0.35 -0.19 0.00 -1.03 0.00 0.00 55.69 54.34 2kj4 s MET 9 Cb -0.03 -2.72 0.05 0.00 -1.53 0.00 0.00 34.83 30.61 2kj4 s MET 9 CO 0.05 0.23 0.58 -1.58 -2.03 0.00 0.00 175.02 172.28 2kj4 s HIS 10 N -2.17 3.08 0.00 3.16 2.46 -1.26 -4.38 115.29 116.18 2kj4 s HIS 10 Ca 0.39 -0.54 0.00 0.00 0.47 0.00 0.00 55.06 55.39 2kj4 s HIS 10 Cb -0.10 -3.43 0.00 0.00 -0.13 0.00 0.00 32.58 28.93 2kj4 s HIS 10 CO 0.33 -0.97 0.00 0.41 -2.47 0.00 0.00 174.74 172.05 2kj4 n GLY 11 N 5.16 2.01 0.08 1.59 0.00 -1.26 -2.14 105.19 110.62 2kj4 n GLY 11 Ca -0.07 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 6.65 0.44 0.00 1.61 7.64 -1.26 -4.90 113.62 123.80 2kj4 n SER 12 Ca 0.00 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.57 2kj4 n SER 12 Cb 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 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 1.39 0.83 0.14 0.23 0.00 -0.91 -4.05 105.19 102.83 2kj4 n GLY 13 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 2kj4 n GLY 13 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2kj4 h GLU 14 N 4.19 0.01 -0.01 1.61 4.81 -1.74 -2.72 114.58 120.74 2kj4 h GLU 14 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2kj4 h GLU 14 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2kj4 h GLU 14 CO 0.00 0.60 -0.29 -1.71 -0.73 0.00 0.00 179.01 176.89 2kj4 n ASN 15 N -3.83 1.06 -4.67 1.04 2.85 -1.26 -4.66 115.26 105.79 2kj4 n ASN 15 Ca -0.01 -0.90 -0.42 0.00 -0.11 0.00 0.00 54.58 53.14 2kj4 n ASN 15 Cb 0.60 0.17 -0.03 0.00 1.24 0.00 0.00 39.78 41.76 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 -2.53 2.21 -0.56 1.20 5.04 -1.03 -4.93 117.35 116.76 2kj4 s TYR 16 Ca 0.23 0.30 0.07 0.00 -2.44 0.00 0.00 57.07 55.22 2kj4 s TYR 16 Cb 0.19 -3.91 0.25 0.00 0.35 0.00 0.00 41.96 38.84 2kj4 s TYR 16 CO 0.53 -3.72 0.66 -3.47 -1.34 0.00 0.00 175.55 168.22 2kj4 n ASP 17 N 6.43 2.57 -4.70 4.32 2.03 -1.26 -4.82 116.55 121.11 2kj4 n ASP 17 Ca 0.16 -3.19 -0.26 0.00 0.52 0.00 0.00 54.79 52.03 2kj4 n ASP 17 Cb 0.42 -0.66 -0.07 0.00 -0.72 0.00 0.00 41.12 40.09 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 -2.01 1.69 -0.03 0.27 0.00 -1.26 -4.42 107.32 101.56 2kj4 s GLY 18 Ca 0.38 -1.38 0.01 0.00 0.00 0.00 0.00 44.72 43.73 2kj4 s GLY 18 CO -0.05 -1.40 0.68 0.28 0.00 0.00 0.00 173.10 172.61 2kj4 n LYS 19 N -0.35 1.42 -3.15 2.90 4.76 -1.26 -4.49 118.16 117.98 2kj4 n LYS 19 Ca -0.09 -0.35 -0.39 0.00 -2.87 0.00 0.00 58.31 54.61 2kj4 n LYS 19 Cb 0.56 -1.55 -0.06 0.00 -1.84 0.00 0.00 35.03 32.14 2kj4 n LYS 19 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 2kj4 s ILE 20 N -1.13 4.78 -0.00 -0.18 2.07 -1.26 -4.93 121.20 120.55 2kj4 s ILE 20 Ca 0.06 1.37 0.00 0.00 -1.41 0.00 0.00 60.65 60.67 2kj4 s ILE 20 Cb 0.05 -3.98 0.00 0.00 0.13 0.00 0.00 42.46 38.66 2kj4 s ILE 20 CO 0.02 0.45 0.74 -1.54 -1.91 0.00 0.00 174.94 172.69 2kj4 n SER 21 N 2.41 0.91 -4.45 4.50 3.41 -1.26 -0.86 113.62 118.28 2kj4 n SER 21 Ca -0.07 -1.48 -0.31 0.00 -0.26 0.00 0.00 58.87 56.75 2kj4 n SER 21 Cb 0.51 -0.01 -0.13 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.48 2.16 0.34 4.33 1.02 -1.26 -0.41 119.74 125.45 2kj4 s LYS 22 Ca 0.00 -0.92 -0.05 0.00 0.02 0.00 0.00 55.97 55.02 2kj4 s LYS 22 Cb 0.00 -2.22 0.08 0.00 -0.52 0.00 0.00 37.83 35.17 2kj4 s LYS 22 CO 0.00 0.56 0.46 0.25 -0.92 0.00 0.00 175.35 175.70 2kj4 n THR 23 N 1.75 0.00 0.28 2.17 -2.24 0.23 -4.64 114.28 111.82 2kj4 n THR 23 Ca -0.16 -0.38 0.16 0.00 -2.27 0.00 0.00 64.05 61.40 2kj4 n THR 23 Cb 0.52 -1.75 0.76 0.00 -2.10 0.00 0.00 70.33 67.77 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 -0.84 0.17 114.93 113.48 2kj4 h MET 24 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.55 2kj4 h MET 24 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.03 2kj4 h MET 24 CO 0.11 0.07 -0.39 0.43 -0.00 0.00 0.00 176.91 177.13 2kj4 n SER 25 N -3.29 0.97 0.00 -0.10 7.64 -1.26 -4.91 113.62 112.67 2kj4 n SER 25 Ca -0.01 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.10 2kj4 n SER 25 Cb 0.26 0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 1.40 0.60 3.87 0.23 0.00 0.60 -5.05 105.19 106.85 2kj4 n GLY 26 Ca 0.09 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 3.26 0.11 0.99 1.43 -1.26 -4.61 118.68 118.61 2kj4 s LEU 27 Ca 0.00 1.36 -0.23 0.00 -1.03 0.00 0.00 54.13 54.23 2kj4 s LEU 27 Cb 0.00 -4.39 -0.07 0.00 0.03 0.00 0.00 46.19 41.76 2kj4 s LEU 27 CO 0.00 -0.86 0.68 -0.70 0.23 0.00 0.00 176.35 175.71 2kj4 s GLU 28 N -5.14 4.41 0.30 1.70 2.56 -1.26 -0.60 118.70 120.67 2kj4 s GLU 28 Ca 0.54 0.96 -0.19 0.00 0.00 0.00 0.00 54.97 56.29 2kj4 s GLU 28 Cb -0.11 -3.26 -0.09 0.00 2.00 0.00 0.00 34.13 32.67 2kj4 s GLU 28 CO 0.53 0.57 0.79 0.00 -0.56 0.00 0.00 175.26 176.60 2kj4 s GLN 30 N -2.49 4.38 0.30 0.00 0.74 0.12 -4.66 119.66 118.05 2kj4 s GLN 30 Ca 0.50 0.96 -0.29 0.00 0.05 0.00 0.00 55.36 56.58 2kj4 s GLN 30 Cb -0.14 -3.51 -0.12 0.00 1.10 0.00 0.00 33.01 30.34 2kj4 s GLN 30 CO 0.19 -0.11 1.42 0.00 -0.55 0.00 0.00 175.29 176.23 2kj4 n ALA 31 N 4.42 1.65 0.26 1.58 0.00 -1.26 -4.35 120.51 122.81 2kj4 n ALA 31 Ca 0.02 0.38 0.12 0.00 0.00 0.00 0.00 53.44 53.95 2kj4 n ALA 31 Cb 0.50 -2.33 0.72 0.00 0.00 0.00 0.00 19.45 18.34 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 3.62 0.00 0.00 0.00 4.06 -1.12 0.69 115.95 123.20 2kj4 h TRP 32 Ca -0.46 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.43 2kj4 h TRP 32 Cb 1.26 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.42 2kj4 h TRP 32 CO 0.54 0.11 -0.26 0.22 -3.56 0.00 0.00 178.44 175.50 2kj4 h ASP 33 N 0.00 0.00 -3.39 -3.49 1.82 -1.83 -3.42 116.42 106.12 2kj4 h ASP 33 Ca -0.00 0.00 -0.59 0.00 -0.39 0.00 0.00 57.03 56.05 2kj4 h ASP 33 Cb 0.27 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 40.19 2kj4 h ASP 33 CO 0.01 0.26 0.21 -0.55 -1.61 0.00 0.00 179.24 177.57 2kj4 s SER 34 N -6.24 6.75 -0.24 2.28 0.15 0.23 -4.90 113.70 111.72 2kj4 s SER 34 Ca 0.03 0.91 0.09 0.00 0.70 0.00 0.00 55.95 57.68 2kj4 s SER 34 Cb 0.09 -2.38 0.62 0.00 -1.71 0.00 0.00 66.02 62.64 2kj4 s SER 34 CO 0.67 -0.33 1.58 1.67 1.20 0.00 0.00 173.24 178.02 2kj4 n GLN 35 N 5.24 3.51 -3.73 5.44 -0.06 -1.26 -4.78 117.38 121.74 2kj4 n GLN 35 Ca 0.01 -2.50 -0.13 0.00 -2.00 0.00 0.00 57.00 52.37 2kj4 n GLN 35 Cb 0.49 -2.07 -0.10 0.00 -4.06 0.00 0.00 30.24 24.51 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 -0.69 -0.40 0.05 1.69 0.15 -1.26 -4.60 113.70 108.64 2kj4 s SER 36 Ca 0.44 0.71 0.02 0.00 0.70 0.00 0.00 55.95 57.83 2kj4 s SER 36 Cb 0.35 0.75 -0.25 0.00 -1.71 0.00 0.00 66.02 65.16 2kj4 s SER 36 CO 0.12 -0.21 1.02 1.55 1.20 0.00 0.00 173.24 176.92 2kj4 h PRO 37 N 5.15 0.13 -6.55 5.44 0.13 -1.91 -3.46 132.00 130.93 2kj4 h PRO 37 Ca -0.27 -0.23 -0.52 0.00 -0.87 0.00 0.00 66.00 64.11 2kj4 h PRO 37 Cb 1.18 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2kj4 h PRO 37 CO 0.28 1.00 0.42 -1.01 -0.23 0.00 0.00 178.00 178.45 2kj4 s HIS 38 N -2.65 3.68 -0.03 1.56 3.76 -1.26 -4.98 115.29 115.37 2kj4 s HIS 38 Ca -0.04 1.67 -0.30 0.00 -0.15 0.00 0.00 55.06 56.24 2kj4 s HIS 38 Cb 0.08 -3.17 -0.04 0.00 1.11 0.00 0.00 32.58 30.57 2kj4 s HIS 38 CO 0.84 -0.22 1.21 0.00 -0.85 0.00 0.00 174.74 175.72 2kj4 s ALA 39 N 0.28 3.48 0.14 -1.40 0.00 -1.26 -4.73 121.76 118.27 2kj4 s ALA 39 Ca 0.50 0.67 -0.08 0.00 0.00 0.00 0.00 51.96 53.05 2kj4 s ALA 39 Cb -0.25 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.35 2kj4 s ALA 39 CO 0.31 -0.71 0.24 -3.38 0.00 0.00 0.00 175.76 172.21 2kj4 s HIS 40 N 2.03 0.38 -0.20 0.00 -3.43 -1.26 -5.02 115.29 107.79 2kj4 s HIS 40 Ca 0.57 -0.76 0.15 0.00 -0.80 0.00 0.00 55.06 54.21 2kj4 s HIS 40 Cb -0.26 -0.10 0.44 0.00 -1.43 0.00 0.00 32.58 31.24 2kj4 s HIS 40 CO 0.23 -0.65 1.33 0.41 -2.00 0.00 0.00 174.74 174.06 2kj4 n GLY 41 N -0.16 4.61 3.25 -1.38 0.00 -1.26 -4.81 105.19 105.43 2kj4 n GLY 41 Ca -0.09 -1.14 -0.44 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.99 4.31 -3.12 1.61 4.01 -1.26 -4.94 117.16 116.77 2kj4 n TYR 42 Ca 0.22 -3.36 -0.40 0.00 -0.16 0.00 0.00 57.90 54.21 2kj4 n TYR 42 Cb 0.84 -1.79 -0.06 0.00 -0.31 0.00 0.00 39.34 38.02 2kj4 n TYR 42 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2kj4 s ILE 43 N -0.58 5.04 -0.19 -0.72 -1.09 -1.26 -4.65 121.20 117.76 2kj4 s ILE 43 Ca 0.35 1.22 0.20 0.00 -2.23 0.00 0.00 60.65 60.20 2kj4 s ILE 43 Cb -0.03 -3.95 0.20 0.00 -1.58 0.00 0.00 42.46 37.10 2kj4 s ILE 43 CO -0.01 0.16 1.61 -2.65 -1.23 0.00 0.00 174.94 172.82 2kj4 n PRO 44 N 4.64 0.13 0.05 2.79 -0.02 -1.26 -1.31 135.00 140.03 2kj4 n PRO 44 Ca -0.02 0.63 -0.08 0.00 -2.02 0.00 0.00 63.50 62.01 2kj4 n PRO 44 Cb 0.50 -1.97 -0.13 0.00 -0.02 0.00 0.00 33.50 31.89 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 0.05 0.64 2.55 0.02 -1.96 -3.30 113.55 111.54 2kj4 h SER 45 Ca 0.00 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 2kj4 h SER 45 Cb 0.07 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 2kj4 h SER 45 CO 0.00 1.05 -1.39 2.29 -1.14 0.00 0.00 176.83 177.64 2kj4 n LYS 46 N -3.32 0.63 -3.87 3.45 2.85 -0.43 -4.51 118.16 112.96 2kj4 n LYS 46 Ca -0.04 0.03 -0.29 0.00 -1.05 0.00 0.00 58.31 56.96 2kj4 n LYS 46 Cb 0.97 -1.72 -0.13 0.00 -0.65 0.00 0.00 35.03 33.50 2kj4 n LYS 46 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2kj4 s PHE 47 N -3.34 3.04 0.06 5.58 0.08 -0.96 -4.98 117.98 117.46 2kj4 s PHE 47 Ca -0.03 -3.09 -0.18 0.00 0.12 0.00 0.00 56.93 53.75 2kj4 s PHE 47 Cb 0.11 -2.54 -0.13 0.00 -0.57 0.00 0.00 43.02 39.89 2kj4 s PHE 47 CO 0.83 -0.68 1.35 -1.00 -0.10 0.00 0.00 175.22 175.62 2kj4 h PRO 48 N 6.07 0.49 0.00 0.24 0.13 -1.79 -3.23 132.00 133.91 2kj4 h PRO 48 Ca 0.03 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2kj4 h PRO 48 Cb 0.84 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.00 2kj4 h PRO 48 CO 0.65 0.87 0.00 0.27 -0.23 0.00 0.00 178.00 179.56 2kj4 n ASN 49 N -4.41 0.45 -0.63 1.44 6.94 -1.26 -3.14 115.26 114.65 2kj4 n ASN 49 Ca -0.06 0.58 0.06 0.00 -0.02 0.00 0.00 54.58 55.15 2kj4 n ASN 49 Cb 0.43 -0.69 0.19 0.00 -2.36 0.00 0.00 39.78 37.35 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 -1.96 1.79 -4.00 -3.83 5.02 -1.22 -4.92 118.16 109.03 2kj4 n LYS 50 Ca 0.04 -1.22 -0.27 0.00 -2.02 0.00 0.00 58.31 54.84 2kj4 n LYS 50 Cb 0.28 -1.29 -0.02 0.00 -0.02 0.00 0.00 35.03 33.98 2kj4 n LYS 50 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2kj4 n ASN 51 N 0.48 -0.81 -4.56 4.39 5.15 -1.19 -4.45 115.26 114.28 2kj4 n ASN 51 Ca 0.12 -1.01 -0.37 0.00 -0.60 0.00 0.00 54.58 52.73 2kj4 n ASN 51 Cb 0.30 -2.99 -0.03 0.00 -0.53 0.00 0.00 39.78 36.52 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 -7.03 3.41 -0.09 1.20 2.01 -1.26 -4.92 118.68 112.01 2kj4 s LEU 52 Ca 0.12 -1.32 0.00 0.00 0.01 0.00 0.00 54.13 52.95 2kj4 s LEU 52 Cb -0.07 -2.57 -0.03 0.00 0.01 0.00 0.00 46.19 43.54 2kj4 s LEU 52 CO 0.90 -1.89 -0.08 -0.54 1.01 0.00 0.00 176.35 175.74 2kj4 s LYS 53 N 5.55 2.94 0.00 1.70 -0.14 -1.26 -4.80 119.74 123.73 2kj4 s LYS 53 Ca 0.54 -0.57 0.00 0.00 -1.36 0.00 0.00 55.97 54.58 2kj4 s LYS 53 Cb -0.02 -2.62 0.00 0.00 -1.68 0.00 0.00 37.83 33.51 2kj4 s LYS 53 CO -0.05 0.54 0.00 1.63 -0.76 0.00 0.00 175.35 176.71 2kj4 n LYS 54 N 2.58 0.00 -1.66 1.68 5.02 -1.26 -1.55 118.16 122.97 2kj4 n LYS 54 Ca -0.18 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.12 2kj4 n LYS 54 Cb 0.53 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.60 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 3.05 1.63 -4.82 4.39 6.94 -1.26 -0.52 115.26 124.66 2kj4 n ASN 55 Ca 0.00 -2.55 -0.36 0.00 -0.02 0.00 0.00 54.58 51.66 2kj4 n ASN 55 Cb 0.00 -0.39 -0.06 0.00 -2.36 0.00 0.00 39.78 36.97 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 -1.83 3.61 0.05 -2.53 2.02 -0.60 -4.33 117.35 113.75 2kj4 s TYR 56 Ca 0.35 1.30 -0.31 0.00 -0.37 0.00 0.00 57.07 58.05 2kj4 s TYR 56 Cb 0.37 -2.56 -0.07 0.00 -0.40 0.00 0.00 41.96 39.30 2kj4 s TYR 56 CO -0.10 0.33 1.58 0.00 -1.57 0.00 0.00 175.55 175.78 2kj4 s ARG 58 N 2.53 1.44 -0.55 0.00 1.81 -0.52 -4.67 118.95 118.99 2kj4 s ARG 58 Ca 0.71 -1.79 0.04 0.00 -1.72 0.00 0.00 55.73 52.97 2kj4 s ARG 58 Cb -0.37 -0.25 0.17 0.00 -0.45 0.00 0.00 34.95 34.04 2kj4 s ARG 58 CO 0.30 -0.32 0.41 1.21 -0.68 0.00 0.00 175.30 176.22 2kj4 s ASN 59 N -3.33 3.13 -0.10 0.23 3.84 -1.21 -0.69 114.94 116.82 2kj4 s ASN 59 Ca 0.37 -3.41 -0.19 0.00 0.21 0.00 0.00 52.86 49.84 2kj4 s ASN 59 Cb 0.07 -1.03 -0.28 0.00 -0.55 0.00 0.00 41.25 39.47 2kj4 s ASN 59 CO 0.14 -0.13 0.64 1.55 -2.79 0.00 0.00 177.10 176.50 2kj4 h PRO 60 N 5.58 0.23 0.00 0.43 0.13 -1.89 -3.36 132.00 133.12 2kj4 h PRO 60 Ca 0.20 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2kj4 h PRO 60 Cb 0.84 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2kj4 h PRO 60 CO 0.54 1.19 0.00 -0.40 -0.23 0.00 0.00 178.00 179.10 2kj4 n ASP 61 N -4.05 0.00 -2.40 1.44 5.68 -1.26 -4.92 116.55 111.04 2kj4 n ASP 61 Ca -0.22 0.33 -0.07 0.00 -0.50 0.00 0.00 54.79 54.33 2kj4 n ASP 61 Cb 0.84 -0.44 0.03 0.00 -1.14 0.00 0.00 41.12 40.41 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 -1.44 -1.14 -0.11 0.11 1.74 -1.26 -5.08 116.66 109.48 2kj4 n ARG 62 Ca 0.08 0.48 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 2kj4 n ARG 62 Cb 0.29 -3.74 0.00 0.00 -1.02 0.00 0.00 32.46 27.99 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 -2.35 0.00 0.14 0.55 2.03 -1.26 -5.02 116.55 110.65 2kj4 n ASP 63 Ca -0.03 -0.20 0.03 0.00 0.52 0.00 0.00 54.79 55.10 2kj4 n ASP 63 Cb 0.56 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.99 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 0.00 -7.29 -2.67 4.07 -1.98 -3.46 115.31 103.99 2kj4 h LEU 64 Ca 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.86 2kj4 h LEU 64 Cb 0.00 0.00 -0.22 0.00 1.08 0.00 0.00 40.66 41.52 2kj4 h LEU 64 CO 0.00 0.48 -0.14 -0.60 -1.08 0.00 0.00 178.44 177.11 2kj4 s ARG 65 N -2.97 0.67 0.75 1.13 3.52 -1.26 -5.01 118.95 115.78 2kj4 s ARG 65 Ca 0.04 0.34 -0.15 0.00 -0.13 0.00 0.00 55.73 55.83 2kj4 s ARG 65 Cb 0.07 0.32 0.01 0.00 -1.56 0.00 0.00 34.95 33.79 2kj4 s ARG 65 CO 0.74 -0.14 0.88 -2.30 -0.81 0.00 0.00 175.30 173.66 2kj4 n PRO 66 N 2.04 0.35 -2.01 5.12 -0.02 -1.26 -4.86 135.00 134.37 2kj4 n PRO 66 Ca -0.17 0.18 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 2kj4 n PRO 66 Cb 0.57 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 -2.70 -1.21 -3.47 6.00 4.27 0.14 -1.07 117.44 119.40 2kj4 n TRP 67 Ca 0.12 -0.63 -0.11 0.00 -3.89 0.00 0.00 57.50 52.99 2kj4 n TRP 67 Cb 0.50 0.25 -0.03 0.00 -1.36 0.00 0.00 31.31 30.67 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 -3.13 3.30 0.18 0.00 0.08 -1.26 -1.43 117.98 115.72 2kj4 s PHE 69 Ca 0.01 1.57 -0.02 0.00 0.12 0.00 0.00 56.93 58.61 2kj4 s PHE 69 Cb -0.01 -2.87 -0.05 0.00 -0.57 0.00 0.00 43.02 39.53 2kj4 s PHE 69 CO -0.08 -0.27 0.39 0.95 -0.10 0.00 0.00 175.22 176.10 2kj4 s THR 70 N -2.27 5.19 -0.33 0.64 -4.23 -1.12 0.11 115.64 113.63 2kj4 s THR 70 Ca 0.62 -0.20 0.22 0.00 -1.18 0.00 0.00 61.69 61.15 2kj4 s THR 70 Cb -0.10 -3.69 0.18 0.00 1.34 0.00 0.00 72.50 70.22 2kj4 s THR 70 CO 0.18 -0.10 1.36 0.71 -0.54 0.00 0.00 174.62 176.23 2kj4 h THR 71 N 1.72 0.08 -2.78 3.99 1.35 -1.47 -3.38 112.91 112.41 2kj4 h THR 71 Ca -0.47 -1.13 -0.54 0.00 -0.55 0.00 0.00 66.41 63.73 2kj4 h THR 71 Cb 1.18 1.85 0.02 0.00 -1.73 0.00 0.00 68.15 69.46 2kj4 h THR 71 CO 0.70 0.05 0.92 -0.62 -0.25 0.00 0.00 175.52 176.32 2kj4 s ASP 72 N -5.90 6.69 0.28 5.36 2.15 -1.26 -4.90 116.67 119.09 2kj4 s ASP 72 Ca 0.04 2.37 0.01 0.00 0.43 0.00 0.00 52.55 55.40 2kj4 s ASP 72 Cb 0.07 -2.57 0.58 0.00 -0.30 0.00 0.00 42.92 40.71 2kj4 s ASP 72 CO 0.73 -0.82 1.78 -0.65 -0.17 0.00 0.00 175.17 176.04 2kj4 h PRO 73 N 7.96 0.72 -0.27 4.34 0.11 -2.00 -2.48 132.00 140.37 2kj4 h PRO 73 Ca -0.41 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.49 2kj4 h PRO 73 Cb 1.20 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2kj4 h PRO 73 CO 0.92 0.48 -0.47 -0.97 -0.21 0.00 0.00 178.00 177.74 2kj4 h ASN 74 N 0.74 0.88 -3.44 -2.05 -0.73 -1.98 -3.42 115.58 105.58 2kj4 h ASN 74 Ca 0.50 -0.53 -0.54 0.00 1.87 0.00 0.00 56.30 57.60 2kj4 h ASN 74 Cb 0.67 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.98 2kj4 h ASN 74 CO -0.34 1.24 0.29 -0.75 -0.37 0.00 0.00 177.43 177.50 2kj4 s LYS 75 N -4.14 4.56 -0.14 6.67 2.47 -0.94 -4.92 119.74 123.31 2kj4 s LYS 75 Ca -0.11 1.29 -0.18 0.00 -1.56 0.00 0.00 55.97 55.40 2kj4 s LYS 75 Cb 0.09 -3.43 -0.25 0.00 -1.46 0.00 0.00 37.83 32.78 2kj4 s LYS 75 CO 0.87 0.06 0.48 -0.09 0.16 0.00 0.00 175.35 176.83 2kj4 h ARG 76 N 6.41 0.15 -3.30 4.03 2.43 -1.83 -3.42 114.38 118.86 2kj4 h ARG 76 Ca -0.42 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.49 2kj4 h ARG 76 Cb 1.21 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.80 2kj4 h ARG 76 CO 0.74 1.12 0.09 1.67 -1.51 0.00 0.00 179.97 182.08 2kj4 s TRP 77 N -2.42 0.11 0.07 2.20 1.48 -1.26 -2.79 118.94 116.34 2kj4 s TRP 77 Ca -0.22 -0.55 -0.21 0.00 -1.06 0.00 0.00 56.10 54.06 2kj4 s TRP 77 Cb 0.04 0.49 0.05 0.00 -1.16 0.00 0.00 33.47 32.89 2kj4 s TRP 77 CO 0.71 -1.18 0.50 -2.00 -4.06 0.00 0.00 176.95 170.91 2kj4 s GLU 78 N -3.72 1.06 0.70 3.25 2.12 -0.51 -4.81 118.70 116.79 2kj4 s GLU 78 Ca 0.17 -0.36 -0.12 0.00 0.36 0.00 0.00 54.97 55.02 2kj4 s GLU 78 Cb -0.04 0.48 0.02 0.00 0.26 0.00 0.00 34.13 34.85 2kj4 s GLU 78 CO 0.09 -0.40 1.08 0.71 -0.54 0.00 0.00 175.26 176.21 2kj4 s TYR 79 N -2.83 2.75 0.02 5.30 2.02 -1.26 -1.13 117.35 122.22 2kj4 s TYR 79 Ca -0.03 1.52 0.05 0.00 -0.37 0.00 0.00 57.07 58.24 2kj4 s TYR 79 Cb -0.00 -3.04 -0.03 0.00 -0.40 0.00 0.00 41.96 38.49 2kj4 s TYR 79 CO -0.05 -1.56 -0.10 0.00 -1.57 0.00 0.00 175.55 172.27 2kj4 s ASP 81 N -1.49 6.82 0.01 0.00 2.15 -1.26 -4.66 116.67 118.24 2kj4 s ASP 81 Ca 0.17 -2.67 -0.17 0.00 0.43 0.00 0.00 52.55 50.31 2kj4 s ASP 81 Cb -0.11 -2.26 -0.06 0.00 -0.30 0.00 0.00 42.92 40.19 2kj4 s ASP 81 CO 0.07 -0.66 0.47 -0.63 -0.17 0.00 0.00 175.17 174.26 2kj4 s ILE 82 N 0.62 4.94 0.14 4.11 -1.09 -1.26 -4.99 121.20 123.67 2kj4 s ILE 82 Ca 0.24 0.99 -0.34 0.00 -2.23 0.00 0.00 60.65 59.31 2kj4 s ILE 82 Cb -0.08 -3.79 -0.16 0.00 -1.58 0.00 0.00 42.46 36.84 2kj4 s ILE 82 CO -0.09 0.54 1.12 -2.65 -1.23 0.00 0.00 174.94 172.63 2kj4 n PRO 83 N 1.97 0.91 -3.73 2.79 -0.02 -1.26 -4.91 135.00 130.76 2kj4 n PRO 83 Ca -0.12 0.32 -0.32 0.00 -2.02 0.00 0.00 63.50 61.37 2kj4 n PRO 83 Cb 0.52 -1.80 -0.05 0.00 -0.02 0.00 0.00 33.50 32.16 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 -0.29 3.58 0.30 -0.52 3.00 -1.26 -0.64 118.95 123.12 2kj4 s ARG 84 Ca 0.76 -0.16 0.09 0.00 0.00 0.00 0.00 55.73 56.42 2kj4 s ARG 84 Cb -0.93 -2.90 -0.04 0.00 0.00 0.00 0.00 34.95 31.08 2kj4 s ARG 84 CO 0.53 0.51 0.06 0.00 0.00 0.00 0.00 175.30 176.39 2kj4 n ALA 86 N -1.01 3.50 -1.85 0.00 0.00 -1.26 -5.00 120.51 114.89 2kj4 n ALA 86 Ca -0.05 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2kj4 n ALA 86 Cb 0.60 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2kj4 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50