#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 4.28 -0.08 -3.48 0.11 -1.26 -5.00 120.40 114.97 2kj4 s VAL 2 Ca 0.00 1.74 -0.30 0.00 -2.93 0.00 0.00 61.98 60.49 2kj4 s VAL 2 Cb 0.00 -4.04 -0.02 0.00 -1.53 0.00 0.00 36.38 30.79 2kj4 s VAL 2 CO 0.00 0.25 1.13 -1.83 -3.33 0.00 0.00 175.10 171.32 2kj4 s GLU 3 N -1.81 4.37 -0.21 1.54 -1.05 -1.26 -5.01 118.70 115.26 2kj4 s GLU 3 Ca 0.46 1.56 -0.14 0.00 -0.15 0.00 0.00 54.97 56.70 2kj4 s GLU 3 Cb -0.20 -3.56 -0.04 0.00 -0.44 0.00 0.00 34.13 29.89 2kj4 s GLU 3 CO 0.25 -0.41 0.31 -0.06 0.95 0.00 0.00 175.26 176.29 2kj4 s PHE 4 N 2.20 3.36 0.17 4.83 0.08 -1.26 -4.96 117.98 122.39 2kj4 s PHE 4 Ca 0.53 0.47 0.19 0.00 0.12 0.00 0.00 56.93 58.24 2kj4 s PHE 4 Cb -0.22 -2.42 0.70 0.00 -0.57 0.00 0.00 43.02 40.51 2kj4 s PHE 4 CO 0.20 0.03 1.74 1.03 -0.10 0.00 0.00 175.22 178.13 2kj4 h SER 5 N 7.37 0.00 -3.22 1.36 0.87 -2.07 -3.33 113.55 114.53 2kj4 h SER 5 Ca -0.37 0.00 -0.80 0.00 -1.23 0.00 0.00 61.79 59.39 2kj4 h SER 5 Cb 1.16 0.00 -0.27 0.00 -0.44 0.00 0.00 62.40 62.85 2kj4 h SER 5 CO 0.70 0.36 0.65 1.21 -0.53 0.00 0.00 176.83 179.22 2kj4 n GLU 6 N -3.53 3.83 -3.34 2.24 2.13 -1.26 -4.70 120.64 116.00 2kj4 n GLU 6 Ca -0.00 -4.43 -0.26 0.00 0.66 0.00 0.00 57.16 53.13 2kj4 n GLU 6 Cb 0.50 -2.58 -0.09 0.00 0.27 0.00 0.00 31.44 29.55 2kj4 n GLU 6 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2kj4 n GLU 7 N 2.45 0.71 -4.62 5.31 1.02 -1.25 -5.11 120.64 119.15 2kj4 n GLU 7 Ca 0.26 -3.40 -0.24 0.00 -0.02 0.00 0.00 57.16 53.75 2kj4 n GLU 7 Cb 0.37 -1.56 -0.14 0.00 -0.02 0.00 0.00 31.44 30.09 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 -0.97 1.28 0.00 0.00 -1.94 0.43 -4.40 119.30 113.70 2kj4 s MET 9 Ca 0.06 -1.66 -0.30 0.00 -1.71 0.00 0.00 55.69 52.07 2kj4 s MET 9 Cb -0.08 -0.29 -0.06 0.00 2.01 0.00 0.00 34.83 36.41 2kj4 s MET 9 CO 0.01 -0.21 1.46 -3.38 -0.01 0.00 0.00 175.02 172.89 2kj4 s HIS 10 N -3.69 2.72 0.00 -0.03 -3.43 -1.06 -1.06 115.29 108.74 2kj4 s HIS 10 Ca 0.31 0.69 0.00 0.00 -0.80 0.00 0.00 55.06 55.27 2kj4 s HIS 10 Cb 0.07 -3.73 0.00 0.00 -1.43 0.00 0.00 32.58 27.49 2kj4 s HIS 10 CO 0.09 -2.77 0.00 0.41 -2.00 0.00 0.00 174.74 170.47 2kj4 n GLY 11 N 3.74 1.24 0.23 -1.38 0.00 -1.26 -2.15 105.19 105.60 2kj4 n GLY 11 Ca 0.14 0.69 0.01 0.00 0.00 0.00 0.00 46.02 46.86 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 0.25 -0.30 1.61 0.02 -1.92 -3.47 113.55 109.75 2kj4 h SER 12 Ca 0.00 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 2kj4 h SER 12 Cb 0.00 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 2kj4 h SER 12 CO 0.00 0.46 -0.10 0.61 -1.14 0.00 0.00 176.83 176.66 2kj4 n GLY 13 N -0.71 0.70 0.16 -3.77 0.00 -0.91 -3.74 105.19 96.92 2kj4 n GLY 13 Ca -0.01 -0.82 0.04 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 0.00 -0.68 1.61 5.08 -1.84 -2.83 114.58 115.92 2kj4 h GLU 14 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2kj4 h GLU 14 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2kj4 h GLU 14 CO 0.15 0.44 0.00 -1.71 -1.00 0.00 0.00 179.01 176.89 2kj4 n ASN 15 N -3.30 4.20 -4.69 1.42 2.85 -1.26 -4.39 115.26 110.08 2kj4 n ASN 15 Ca 0.01 -2.23 -0.42 0.00 -0.11 0.00 0.00 54.58 51.83 2kj4 n ASN 15 Cb 0.65 -0.52 -0.03 0.00 1.24 0.00 0.00 39.78 41.12 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 -1.48 3.08 -0.06 1.20 5.04 -1.07 -4.87 117.35 119.19 2kj4 s TYR 16 Ca 0.48 1.03 0.14 0.00 -2.44 0.00 0.00 57.07 56.28 2kj4 s TYR 16 Cb 0.28 -3.55 0.27 0.00 0.35 0.00 0.00 41.96 39.31 2kj4 s TYR 16 CO 0.27 -1.90 1.12 -3.47 -1.34 0.00 0.00 175.55 170.23 2kj4 n ASP 17 N 4.98 1.08 -4.84 4.32 2.03 -1.26 -4.91 116.55 117.95 2kj4 n ASP 17 Ca 0.12 -2.57 -0.29 0.00 0.52 0.00 0.00 54.79 52.56 2kj4 n ASP 17 Cb 0.45 -0.34 0.10 0.00 -0.72 0.00 0.00 41.12 40.61 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 -2.09 1.60 -0.90 0.27 0.00 -1.26 -4.99 107.32 99.94 2kj4 s GLY 18 Ca 0.24 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.48 2kj4 s GLY 18 CO -0.06 0.00 1.29 0.28 0.00 0.00 0.00 173.10 174.61 2kj4 n LYS 19 N -3.43 3.99 -4.07 2.90 4.76 -1.26 -4.76 118.16 116.29 2kj4 n LYS 19 Ca 0.07 -4.64 -0.36 0.00 -2.87 0.00 0.00 58.31 50.51 2kj4 n LYS 19 Cb 0.59 -2.41 -0.08 0.00 -1.84 0.00 0.00 35.03 31.29 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 -3.12 4.96 -0.02 -0.18 2.07 -1.26 -4.97 121.20 118.67 2kj4 s ILE 20 Ca 0.36 0.01 0.03 0.00 -1.41 0.00 0.00 60.65 59.64 2kj4 s ILE 20 Cb 0.12 -3.15 0.04 0.00 0.13 0.00 0.00 42.46 39.60 2kj4 s ILE 20 CO 0.01 0.58 0.83 -1.54 -1.91 0.00 0.00 174.94 172.91 2kj4 n SER 21 N 2.38 0.67 -4.29 4.50 3.41 -1.26 -1.45 113.62 117.58 2kj4 n SER 21 Ca -0.19 -1.77 -0.31 0.00 -0.26 0.00 0.00 58.87 56.35 2kj4 n SER 21 Cb 0.54 -0.12 -0.16 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 -0.57 2.17 0.01 4.33 1.02 -1.25 -0.02 119.74 125.42 2kj4 s LYS 22 Ca 0.04 -0.91 -0.00 0.00 0.02 0.00 0.00 55.97 55.13 2kj4 s LYS 22 Cb 0.04 -2.03 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 2kj4 s LYS 22 CO 0.00 0.51 0.01 0.25 -0.92 0.00 0.00 175.35 175.21 2kj4 n THR 23 N 2.56 0.00 0.25 2.17 -2.24 0.95 -4.57 114.28 113.40 2kj4 n THR 23 Ca -0.16 -0.01 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 2kj4 n THR 23 Cb 0.51 -1.84 0.59 0.00 -2.10 0.00 0.00 70.33 67.49 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 -1.03 0.63 114.93 113.73 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 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.61 2kj4 h MET 24 CO 0.00 0.15 -0.15 0.43 -0.00 0.00 0.00 176.91 177.34 2kj4 n SER 25 N -3.39 1.48 0.00 -0.10 7.64 -1.26 -4.89 113.62 113.10 2kj4 n SER 25 Ca -0.00 -1.29 0.00 0.00 1.01 0.00 0.00 58.87 58.59 2kj4 n SER 25 Cb 0.35 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 1.28 0.52 3.88 0.23 0.00 0.21 -5.05 105.19 106.27 2kj4 n GLY 26 Ca 0.15 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 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 3.70 0.12 0.99 1.43 -1.26 -4.58 118.68 119.09 2kj4 s LEU 27 Ca 0.00 1.11 -0.25 0.00 -1.03 0.00 0.00 54.13 53.96 2kj4 s LEU 27 Cb 0.00 -4.03 -0.07 0.00 0.03 0.00 0.00 46.19 42.12 2kj4 s LEU 27 CO 0.00 -0.51 0.77 -0.70 0.23 0.00 0.00 176.35 176.14 2kj4 s GLU 28 N -4.26 4.53 0.38 1.70 2.56 -1.26 -0.03 118.70 122.32 2kj4 s GLU 28 Ca 0.51 1.12 -0.16 0.00 0.00 0.00 0.00 54.97 56.44 2kj4 s GLU 28 Cb -0.10 -3.30 -0.09 0.00 2.00 0.00 0.00 34.13 32.64 2kj4 s GLU 28 CO 0.38 0.48 0.81 0.00 -0.56 0.00 0.00 175.26 176.36 2kj4 s GLN 30 N -3.29 4.07 0.18 0.00 0.74 0.14 -4.63 119.66 116.86 2kj4 s GLN 30 Ca 0.56 0.37 -0.33 0.00 0.05 0.00 0.00 55.36 56.01 2kj4 s GLN 30 Cb -0.10 -3.31 -0.12 0.00 1.10 0.00 0.00 33.01 30.58 2kj4 s GLN 30 CO 0.20 0.48 1.70 0.00 -0.55 0.00 0.00 175.29 177.13 2kj4 n ALA 31 N 2.57 2.26 0.19 1.58 0.00 -1.26 -4.43 120.51 121.43 2kj4 n ALA 31 Ca -0.12 0.40 0.14 0.00 0.00 0.00 0.00 53.44 53.86 2kj4 n ALA 31 Cb 0.52 -2.48 0.73 0.00 0.00 0.00 0.00 19.45 18.22 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 6.79 0.00 0.00 0.00 4.06 -0.71 -0.82 115.95 125.27 2kj4 h TRP 32 Ca -0.44 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.39 2kj4 h TRP 32 Cb 1.22 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.37 2kj4 h TRP 32 CO 0.66 0.00 -0.55 0.22 -3.56 0.00 0.00 178.44 175.21 2kj4 h ASP 33 N 0.00 0.00 -3.48 -3.49 3.58 -1.83 -3.41 116.42 107.79 2kj4 h ASP 33 Ca 0.08 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.93 2kj4 h ASP 33 Cb 0.34 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.28 2kj4 h ASP 33 CO -0.00 0.55 -0.05 -0.55 -2.88 0.00 0.00 179.24 176.31 2kj4 s SER 34 N -6.50 6.54 -0.11 2.28 0.15 -0.31 -4.91 113.70 110.84 2kj4 s SER 34 Ca 0.02 0.65 0.11 0.00 0.70 0.00 0.00 55.95 57.43 2kj4 s SER 34 Cb 0.09 -2.29 0.51 0.00 -1.71 0.00 0.00 66.02 62.62 2kj4 s SER 34 CO 0.74 -0.18 1.34 1.67 1.20 0.00 0.00 173.24 178.01 2kj4 n GLN 35 N 4.84 3.13 -4.62 5.44 7.27 -1.26 -4.74 117.38 127.44 2kj4 n GLN 35 Ca -0.05 -1.99 -0.27 0.00 0.07 0.00 0.00 57.00 54.76 2kj4 n GLN 35 Cb 0.50 -1.81 -0.17 0.00 2.41 0.00 0.00 30.24 31.17 2kj4 n GLN 35 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2kj4 s SER 36 N -0.67 2.19 0.06 1.69 0.01 -1.26 -3.30 113.70 112.42 2kj4 s SER 36 Ca 0.35 -0.38 -0.09 0.00 1.31 0.00 0.00 55.95 57.14 2kj4 s SER 36 Cb 0.24 -1.00 -0.31 0.00 0.21 0.00 0.00 66.02 65.17 2kj4 s SER 36 CO 0.14 0.04 1.09 1.55 0.41 0.00 0.00 173.24 176.47 2kj4 h PRO 37 N 7.11 0.40 -6.13 12.44 0.13 -1.90 -3.46 132.00 140.59 2kj4 h PRO 37 Ca -0.29 -0.67 -0.57 0.00 -0.87 0.00 0.00 66.00 63.60 2kj4 h PRO 37 Cb 1.19 0.25 -0.05 0.00 0.13 0.00 0.00 31.00 32.52 2kj4 h PRO 37 CO 0.48 1.32 0.87 -1.01 -0.23 0.00 0.00 178.00 179.43 2kj4 s HIS 38 N -2.65 2.99 0.02 1.56 3.76 -1.24 -4.98 115.29 114.75 2kj4 s HIS 38 Ca -0.06 1.14 -0.30 0.00 -0.15 0.00 0.00 55.06 55.69 2kj4 s HIS 38 Cb 0.06 -3.44 -0.05 0.00 1.11 0.00 0.00 32.58 30.26 2kj4 s HIS 38 CO 0.91 -1.34 1.19 0.00 -0.85 0.00 0.00 174.74 174.66 2kj4 s ALA 39 N 3.42 3.41 0.00 -1.40 0.00 -1.21 -4.49 121.76 121.50 2kj4 s ALA 39 Ca 0.51 0.76 -0.28 0.00 0.00 0.00 0.00 51.96 52.96 2kj4 s ALA 39 Cb -0.20 -3.46 0.08 0.00 0.00 0.00 0.00 23.12 19.55 2kj4 s ALA 39 CO 0.12 -0.52 0.74 -3.38 0.00 0.00 0.00 175.76 172.72 2kj4 s HIS 40 N 1.41 -0.53 -0.38 0.00 -3.43 -1.26 -5.04 115.29 106.07 2kj4 s HIS 40 Ca 0.58 0.66 0.07 0.00 -0.80 0.00 0.00 55.06 55.56 2kj4 s HIS 40 Cb -0.28 0.48 0.66 0.00 -1.43 0.00 0.00 32.58 32.02 2kj4 s HIS 40 CO 0.27 -0.63 1.80 0.41 -2.00 0.00 0.00 174.74 174.59 2kj4 n GLY 41 N 0.30 4.31 3.23 -1.38 0.00 -1.26 -4.69 105.19 105.69 2kj4 n GLY 41 Ca -0.15 -1.09 -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 -0.83 4.30 -2.97 1.61 4.02 -1.26 -4.98 117.16 117.06 2kj4 n TYR 42 Ca 0.49 -3.47 -0.41 0.00 -0.01 0.00 0.00 57.90 54.50 2kj4 n TYR 42 Cb 1.46 -1.59 -0.05 0.00 -0.02 0.00 0.00 39.34 39.15 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 -1.64 4.93 -0.58 -0.72 1.01 -1.26 -4.66 121.20 118.28 2kj4 s ILE 43 Ca 0.32 1.49 0.21 0.00 0.00 0.00 0.00 60.65 62.66 2kj4 s ILE 43 Cb -0.05 -4.07 0.21 0.00 0.01 0.00 0.00 42.46 38.56 2kj4 s ILE 43 CO -0.02 0.07 1.64 -2.65 0.00 0.00 0.00 174.94 173.98 2kj4 n PRO 44 N 5.06 0.15 0.07 2.79 -0.02 -1.26 -1.71 135.00 140.07 2kj4 n PRO 44 Ca 0.02 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2kj4 n PRO 44 Cb 0.49 -1.79 -0.05 0.00 -0.02 0.00 0.00 33.50 32.13 2kj4 n PRO 44 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2kj4 h SER 45 N 0.00 0.00 0.68 2.55 4.64 -1.92 -3.07 113.55 116.43 2kj4 h SER 45 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 2kj4 h SER 45 Cb 0.31 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 2kj4 h SER 45 CO 0.00 0.60 -1.44 2.29 -0.87 0.00 0.00 176.83 177.41 2kj4 n LYS 46 N -3.04 0.62 -3.43 4.77 2.85 -0.69 -4.37 118.16 114.86 2kj4 n LYS 46 Ca -0.05 0.23 -0.27 0.00 -1.05 0.00 0.00 58.31 57.17 2kj4 n LYS 46 Cb 0.82 -1.81 -0.08 0.00 -0.65 0.00 0.00 35.03 33.31 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 -2.90 2.90 0.11 5.58 3.72 -0.84 -4.90 117.46 121.13 2kj4 n PHE 47 Ca -0.10 -4.06 -0.01 0.00 -0.05 0.00 0.00 57.45 53.22 2kj4 n PHE 47 Cb 0.85 -0.52 -0.03 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 4.29 0.00 0.00 -1.08 0.13 -1.73 -3.32 132.00 130.28 2kj4 h PRO 48 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 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 0.76 0.70 -0.06 -2.95 -0.23 0.00 0.00 178.00 176.22 2kj4 h ASN 49 N 0.00 0.00 -0.45 1.44 -1.07 -1.90 -1.42 115.58 112.18 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 1.53 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.78 2kj4 h ASN 49 CO 0.09 0.06 0.00 0.29 0.07 0.00 0.00 177.43 177.94 2kj4 n LYS 50 N -3.92 2.79 -3.75 4.14 4.76 -1.25 -4.89 118.16 116.04 2kj4 n LYS 50 Ca -0.03 -1.93 -0.26 0.00 -2.87 0.00 0.00 58.31 53.22 2kj4 n LYS 50 Cb 0.15 -1.66 0.05 0.00 -1.84 0.00 0.00 35.03 31.73 2kj4 n LYS 50 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2kj4 n ASN 51 N 0.72 -4.99 -4.57 4.39 4.13 -0.53 -4.45 115.26 109.96 2kj4 n ASN 51 Ca 0.17 -0.68 -0.36 0.00 1.68 0.00 0.00 54.58 55.39 2kj4 n ASN 51 Cb 0.62 -4.42 -0.03 0.00 -1.54 0.00 0.00 39.78 34.41 2kj4 n ASN 51 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2kj4 s LEU 52 N -7.20 3.43 0.01 3.41 2.96 -1.26 -4.89 118.68 115.14 2kj4 s LEU 52 Ca 0.55 -1.56 0.07 0.00 -0.22 0.00 0.00 54.13 52.97 2kj4 s LEU 52 Cb -0.26 -2.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.84 2kj4 s LEU 52 CO 0.78 -1.98 -0.23 -0.54 -1.32 0.00 0.00 176.35 173.07 2kj4 s LYS 53 N 5.51 1.68 1.09 1.98 1.02 -1.26 -4.69 119.74 125.08 2kj4 s LYS 53 Ca 0.57 -0.90 0.00 0.00 0.02 0.00 0.00 55.97 55.66 2kj4 s LYS 53 Cb -0.01 -1.72 0.00 0.00 -0.52 0.00 0.00 37.83 35.59 2kj4 s LYS 53 CO 0.01 0.46 0.00 1.63 -0.92 0.00 0.00 175.35 176.52 2kj4 n LYS 54 N 2.18 0.00 -1.32 1.68 4.76 -1.26 -2.55 118.16 121.65 2kj4 n LYS 54 Ca -0.16 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.31 2kj4 n LYS 54 Cb 0.53 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.74 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 4.49 0.93 -4.83 4.39 6.94 -1.26 0.04 115.26 125.96 2kj4 n ASN 55 Ca 0.00 -2.11 -0.37 0.00 -0.02 0.00 0.00 54.58 52.07 2kj4 n ASN 55 Cb 0.00 -0.30 -0.06 0.00 -2.36 0.00 0.00 39.78 37.06 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 -0.20 3.72 -0.05 -2.53 2.02 -1.06 -4.51 117.35 114.74 2kj4 s TYR 56 Ca 0.30 1.14 -0.30 0.00 -0.37 0.00 0.00 57.07 57.84 2kj4 s TYR 56 Cb 0.34 -2.40 -0.07 0.00 -0.40 0.00 0.00 41.96 39.43 2kj4 s TYR 56 CO -0.14 0.55 1.88 0.00 -1.57 0.00 0.00 175.55 176.27 2kj4 s ARG 58 N 4.63 1.78 -0.40 0.00 1.81 -0.73 -4.73 118.95 121.31 2kj4 s ARG 58 Ca 0.84 -2.04 0.01 0.00 -1.72 0.00 0.00 55.73 52.83 2kj4 s ARG 58 Cb -0.37 -0.77 0.14 0.00 -0.45 0.00 0.00 34.95 33.50 2kj4 s ARG 58 CO 0.36 -0.32 0.23 1.21 -0.68 0.00 0.00 175.30 176.11 2kj4 s ASN 59 N -3.55 3.29 -0.06 0.23 3.84 -1.23 -1.46 114.94 116.00 2kj4 s ASN 59 Ca 0.30 -2.47 -0.02 0.00 0.21 0.00 0.00 52.86 50.88 2kj4 s ASN 59 Cb 0.06 -0.75 -0.27 0.00 -0.55 0.00 0.00 41.25 39.75 2kj4 s ASN 59 CO 0.14 -0.28 0.59 1.55 -2.79 0.00 0.00 177.10 176.31 2kj4 h PRO 60 N 6.80 0.23 0.00 0.43 0.13 -1.91 -3.38 132.00 134.29 2kj4 h PRO 60 Ca 0.03 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2kj4 h PRO 60 Cb 0.94 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2kj4 h PRO 60 CO 0.39 1.06 0.00 -0.44 -0.23 0.00 0.00 178.00 178.78 2kj4 h ASP 61 N 0.06 0.00 -0.17 1.44 5.19 -1.97 -3.45 116.42 117.52 2kj4 h ASP 61 Ca -0.34 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.99 2kj4 h ASP 61 Cb 2.03 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.52 2kj4 h ASP 61 CO 0.12 0.00 -0.07 0.54 -3.12 0.00 0.00 179.24 176.71 2kj4 n ARG 62 N -3.03 -0.26 -0.45 3.56 5.12 -1.26 -5.03 116.66 115.32 2kj4 n ARG 62 Ca -0.03 0.62 -0.28 0.00 -1.93 0.00 0.00 57.85 56.23 2kj4 n ARG 62 Cb 0.09 -4.27 0.27 0.00 -1.16 0.00 0.00 32.46 27.38 2kj4 n ARG 62 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2kj4 n ASP 63 N 1.39 -2.10 0.09 0.55 -0.08 -1.26 -4.92 116.55 110.21 2kj4 n ASP 63 Ca -0.04 -0.26 -0.02 0.00 -1.51 0.00 0.00 54.79 52.96 2kj4 n ASP 63 Cb 0.12 -1.22 0.21 0.00 2.34 0.00 0.00 41.12 42.58 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 -2.82 0.28 -7.17 -2.67 3.38 -1.96 -3.45 115.31 100.90 2kj4 h LEU 64 Ca -0.62 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.15 2kj4 h LEU 64 Cb 1.34 -0.08 -0.20 0.00 0.09 0.00 0.00 40.66 41.81 2kj4 h LEU 64 CO 0.48 0.67 0.00 -0.60 0.09 0.00 0.00 178.44 179.08 2kj4 s ARG 65 N -4.15 0.84 0.56 1.13 3.52 -1.26 -4.81 118.95 114.79 2kj4 s ARG 65 Ca -0.05 0.32 -0.20 0.00 -0.13 0.00 0.00 55.73 55.67 2kj4 s ARG 65 Cb 0.13 0.40 -0.06 0.00 -1.56 0.00 0.00 34.95 33.86 2kj4 s ARG 65 CO 0.78 -0.22 0.98 -2.30 -0.81 0.00 0.00 175.30 173.73 2kj4 n PRO 66 N 1.58 1.02 -3.35 5.12 -0.02 -1.25 -4.79 135.00 133.31 2kj4 n PRO 66 Ca -0.18 0.39 -0.12 0.00 -2.02 0.00 0.00 63.50 61.57 2kj4 n PRO 66 Cb 0.56 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.85 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 -1.46 -0.77 -3.50 6.00 4.27 -0.54 -0.76 117.44 120.69 2kj4 n TRP 67 Ca 0.13 -1.73 -0.13 0.00 -3.89 0.00 0.00 57.50 51.87 2kj4 n TRP 67 Cb 0.46 0.26 -0.04 0.00 -1.36 0.00 0.00 31.31 30.63 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 -3.02 3.65 0.40 0.00 0.08 -1.26 -1.96 117.98 115.87 2kj4 s PHE 69 Ca -0.02 1.66 -0.07 0.00 0.12 0.00 0.00 56.93 58.62 2kj4 s PHE 69 Cb -0.00 -2.83 -0.05 0.00 -0.57 0.00 0.00 43.02 39.57 2kj4 s PHE 69 CO -0.06 0.22 0.71 0.99 -0.10 0.00 0.00 175.22 176.98 2kj4 s THR 70 N -1.63 4.90 -0.74 0.64 2.01 -1.01 0.24 115.64 120.04 2kj4 s THR 70 Ca 0.49 0.29 0.26 0.00 0.31 0.00 0.00 61.69 63.04 2kj4 s THR 70 Cb -0.17 -3.78 0.18 0.00 0.01 0.00 0.00 72.50 68.73 2kj4 s THR 70 CO 0.22 -0.59 1.61 0.35 -0.69 0.00 0.00 174.62 175.52 2kj4 n THR 71 N -1.56 0.41 -2.79 -0.82 -2.24 -0.40 -4.32 114.28 102.56 2kj4 n THR 71 Ca 0.00 -0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 61.14 2kj4 n THR 71 Cb 0.54 -0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.37 2kj4 n THR 71 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kj4 s ASP 72 N -4.17 7.36 0.41 3.42 2.15 -1.26 -4.91 116.67 119.66 2kj4 s ASP 72 Ca 0.09 1.64 0.29 0.00 0.43 0.00 0.00 52.55 55.00 2kj4 s ASP 72 Cb 0.14 -2.55 1.38 0.00 -0.30 0.00 0.00 42.92 41.59 2kj4 s ASP 72 CO 0.64 -0.13 1.87 1.55 -0.17 0.00 0.00 175.17 178.93 2kj4 h PRO 73 N 6.16 0.00 0.09 4.34 0.13 -1.99 -2.77 132.00 137.95 2kj4 h PRO 73 Ca -0.42 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.34 2kj4 h PRO 73 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 2kj4 h PRO 73 CO 0.73 0.00 -2.13 -1.71 -0.23 0.00 0.00 178.00 174.66 2kj4 n ASN 74 N -2.55 2.09 -4.61 1.44 2.85 -1.26 -4.80 115.26 108.41 2kj4 n ASN 74 Ca -0.00 0.11 -0.43 0.00 -0.11 0.00 0.00 54.58 54.15 2kj4 n ASN 74 Cb 0.15 -0.74 -0.03 0.00 1.24 0.00 0.00 39.78 40.40 2kj4 n ASN 74 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2kj4 s LYS 75 N -2.55 3.89 -0.07 1.20 2.47 -1.05 -4.91 119.74 118.73 2kj4 s LYS 75 Ca -0.26 0.73 -0.07 0.00 -1.56 0.00 0.00 55.97 54.81 2kj4 s LYS 75 Cb 0.07 -3.80 -0.04 0.00 -1.46 0.00 0.00 37.83 32.60 2kj4 s LYS 75 CO 0.72 -1.00 0.30 -0.09 0.16 0.00 0.00 175.35 175.45 2kj4 h ARG 76 N 8.47 -0.25 -3.96 4.03 2.43 -1.87 -3.37 114.38 119.85 2kj4 h ARG 76 Ca -0.22 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 58.85 2kj4 h ARG 76 Cb 1.07 0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 30.56 2kj4 h ARG 76 CO 1.02 -0.17 -0.30 1.67 -1.51 0.00 0.00 179.97 180.68 2kj4 s TRP 77 N -2.40 0.58 -0.04 2.20 1.48 -1.26 -2.41 118.94 117.09 2kj4 s TRP 77 Ca -0.04 -0.91 -0.25 0.00 -1.06 0.00 0.00 56.10 53.85 2kj4 s TRP 77 Cb 0.00 -0.07 0.05 0.00 -1.16 0.00 0.00 33.47 32.29 2kj4 s TRP 77 CO 0.12 -0.83 0.53 -2.00 -4.06 0.00 0.00 176.95 170.71 2kj4 s GLU 78 N -4.04 0.90 0.59 3.25 2.12 -0.83 -4.86 118.70 115.82 2kj4 s GLU 78 Ca 0.25 0.09 -0.19 0.00 0.36 0.00 0.00 54.97 55.48 2kj4 s GLU 78 Cb 0.02 0.42 -0.04 0.00 0.26 0.00 0.00 34.13 34.79 2kj4 s GLU 78 CO 0.07 -0.27 1.22 0.71 -0.54 0.00 0.00 175.26 176.45 2kj4 s TYR 79 N -1.22 2.39 -0.03 5.30 2.02 -1.26 -1.72 117.35 122.82 2kj4 s TYR 79 Ca -0.12 1.51 0.00 0.00 -0.37 0.00 0.00 57.07 58.09 2kj4 s TYR 79 Cb -0.02 -3.50 -0.03 0.00 -0.40 0.00 0.00 41.96 38.00 2kj4 s TYR 79 CO 0.08 -2.25 -0.01 0.00 -1.57 0.00 0.00 175.55 171.80 2kj4 s ASP 81 N -1.27 6.65 -0.31 0.00 2.15 -1.26 -4.61 116.67 118.02 2kj4 s ASP 81 Ca 0.17 -2.21 -0.20 0.00 0.43 0.00 0.00 52.55 50.74 2kj4 s ASP 81 Cb -0.11 -2.34 -0.01 0.00 -0.30 0.00 0.00 42.92 40.15 2kj4 s ASP 81 CO 0.07 -0.93 0.62 -0.63 -0.17 0.00 0.00 175.17 174.13 2kj4 s ILE 82 N 1.98 4.94 0.18 4.11 -1.09 -1.26 -4.98 121.20 125.08 2kj4 s ILE 82 Ca 0.28 0.79 -0.33 0.00 -2.23 0.00 0.00 60.65 59.16 2kj4 s ILE 82 Cb -0.07 -4.00 -0.15 0.00 -1.58 0.00 0.00 42.46 36.67 2kj4 s ILE 82 CO -0.09 -0.16 1.40 -2.65 -1.23 0.00 0.00 174.94 172.22 2kj4 n PRO 83 N 5.88 1.76 -4.11 2.79 -0.02 -1.26 -4.92 135.00 135.12 2kj4 n PRO 83 Ca -0.01 0.63 -0.35 0.00 -2.02 0.00 0.00 63.50 61.75 2kj4 n PRO 83 Cb 0.49 -2.29 -0.11 0.00 -0.02 0.00 0.00 33.50 31.56 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 0.15 3.80 0.29 -0.52 0.52 -1.26 -0.43 118.95 121.50 2kj4 s ARG 84 Ca 0.75 -0.44 0.04 0.00 -0.52 0.00 0.00 55.73 55.57 2kj4 s ARG 84 Cb -0.75 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 31.58 2kj4 s ARG 84 CO 0.46 0.18 0.24 0.00 0.02 0.00 0.00 175.30 176.20 2kj4 n ALA 86 N -0.51 6.56 -0.33 0.00 0.00 -1.26 -2.57 120.51 122.38 2kj4 n ALA 86 Ca 0.06 -3.04 0.00 0.00 0.00 0.00 0.00 53.44 50.45 2kj4 n ALA 86 Cb 0.63 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.74 2kj4 n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50