#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqi h SER 0 N 0.00 0.00 -0.47 1.61 4.64 -2.12 -2.28 113.55 114.93 3kqi h SER 0 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kqi h SER 0 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kqi h SER 0 CO 0.00 0.04 0.00 0.23 -0.87 0.00 0.00 176.83 176.23 3kqi n MET 1 N -3.45 2.17 -1.82 4.77 2.81 -1.26 -4.96 117.12 115.39 3kqi n MET 1 Ca -0.02 -1.81 -0.36 0.00 -1.81 0.00 0.00 57.70 53.70 3kqi n MET 1 Cb 0.15 -1.41 0.06 0.00 -0.71 0.00 0.00 33.22 31.30 3kqi n MET 1 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3kqi s ALA 2 N -1.38 2.42 0.62 3.04 0.00 -0.86 -5.02 121.76 120.58 3kqi s ALA 2 Ca 0.35 1.06 -0.09 0.00 0.00 0.00 0.00 51.96 53.28 3kqi s ALA 2 Cb 0.18 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 3kqi s ALA 2 CO 0.24 -1.43 0.98 0.95 0.00 0.00 0.00 175.76 176.51 3kqi s THR 3 N -1.59 4.12 -0.02 0.00 -4.23 -1.26 -5.04 115.64 107.62 3kqi s THR 3 Ca 0.79 0.45 0.02 0.00 -1.18 0.00 0.00 61.69 61.76 3kqi s THR 3 Cb -0.33 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 69.87 3kqi s THR 3 CO 0.37 -0.78 -0.05 -0.69 -0.54 0.00 0.00 174.62 172.93 3kqi s VAL 4 N -3.13 0.49 0.53 2.29 1.01 -1.26 -5.14 120.40 115.20 3kqi s VAL 4 Ca 0.55 -0.21 -0.22 0.00 0.00 0.00 0.00 61.98 62.09 3kqi s VAL 4 Cb -0.11 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 3kqi s VAL 4 CO 0.50 0.17 1.38 -2.84 0.00 0.00 0.00 175.10 174.31 3kqi s PRO 5 N 0.22 3.23 0.16 2.72 0.02 -1.26 -4.97 135.00 135.12 3kqi s PRO 5 Ca -0.02 2.29 0.07 0.00 0.02 0.00 0.00 61.00 63.35 3kqi s PRO 5 Cb -0.07 -2.33 -0.04 0.00 0.02 0.00 0.00 34.50 32.08 3kqi s PRO 5 CO -0.00 -1.14 -0.14 0.14 -0.33 0.00 0.00 177.00 175.53 3kqi s VAL 6 N -1.27 1.50 0.25 3.83 -7.23 -1.26 -4.12 120.40 112.10 3kqi s VAL 6 Ca 0.70 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.83 3kqi s VAL 6 Cb -0.42 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 3kqi s VAL 6 CO 0.50 -0.55 0.28 -0.31 -0.31 0.00 0.00 175.10 174.70 3kqi s TYR 7 N -2.73 1.09 0.13 2.82 2.02 0.10 -4.91 117.35 115.87 3kqi s TYR 7 Ca 0.17 -1.28 0.00 0.00 -0.37 0.00 0.00 57.07 55.58 3kqi s TYR 7 Cb -0.02 -0.36 0.00 0.00 -0.40 0.00 0.00 41.96 41.18 3kqi s TYR 7 CO 0.04 -0.83 0.00 0.00 -1.57 0.00 0.00 175.55 173.20 3kqi h VAL 9 N -0.49 0.74 0.00 0.00 -1.51 -1.95 -3.18 116.25 109.86 3kqi h VAL 9 Ca 0.01 -1.10 0.00 0.00 -1.23 0.00 0.00 66.70 64.38 3kqi h VAL 9 Cb 0.48 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 3kqi h VAL 9 CO 0.00 0.25 -0.13 0.00 -1.23 0.00 0.00 177.57 176.47 3kqi n ARG 11 N -1.90 -5.22 -4.09 0.00 5.12 -0.72 -5.02 116.66 104.83 3kqi n ARG 11 Ca 0.06 0.66 -0.26 0.00 -1.93 0.00 0.00 57.85 56.38 3kqi n ARG 11 Cb 0.39 -5.30 -0.06 0.00 -1.16 0.00 0.00 32.46 26.33 3kqi n ARG 11 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3kqi s LEU 12 N -6.61 3.79 0.91 0.55 1.43 -1.06 -4.70 118.68 112.99 3kqi s LEU 12 Ca 0.00 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 3kqi s LEU 12 Cb -0.00 -2.40 0.14 0.00 0.03 0.00 0.00 46.19 43.96 3kqi s LEU 12 CO 0.80 0.07 1.09 -2.84 0.23 0.00 0.00 176.35 175.70 3kqi s PRO 13 N -3.10 1.16 0.33 1.29 0.02 -1.26 -0.72 135.00 132.71 3kqi s PRO 13 Ca 0.31 0.78 -0.29 0.00 0.02 0.00 0.00 61.00 61.82 3kqi s PRO 13 Cb -0.10 -1.80 -0.10 0.00 0.02 0.00 0.00 34.50 32.52 3kqi s PRO 13 CO 0.23 -2.30 1.33 -0.47 -0.33 0.00 0.00 177.00 175.46 3kqi s TYR 14 N -2.94 3.02 -0.22 6.54 5.04 -1.26 -4.87 117.35 122.66 3kqi s TYR 14 Ca 0.64 1.37 0.00 0.00 -2.44 0.00 0.00 57.07 56.64 3kqi s TYR 14 Cb -0.18 -3.71 0.06 0.00 0.35 0.00 0.00 41.96 38.48 3kqi s TYR 14 CO 0.57 -1.98 -0.04 0.34 -1.34 0.00 0.00 175.55 173.10 3kqi s ASP 15 N -0.39 3.61 0.08 4.32 -1.08 -1.26 -5.03 116.67 116.91 3kqi s ASP 15 Ca 0.50 -1.07 0.11 0.00 -0.52 0.00 0.00 52.55 51.57 3kqi s ASP 15 Cb -0.40 -1.07 0.50 0.00 -1.46 0.00 0.00 42.92 40.48 3kqi s ASP 15 CO 0.53 -0.24 1.34 1.33 0.52 0.00 0.00 175.17 178.65 3kqi n VAL 16 N 4.75 1.38 1.44 1.11 0.24 -1.26 -1.92 118.33 124.07 3kqi n VAL 16 Ca -0.12 0.41 0.14 0.00 -2.04 0.00 0.00 64.34 62.74 3kqi n VAL 16 Cb 0.45 -1.32 0.53 0.00 -1.47 0.00 0.00 33.84 32.02 3kqi n VAL 16 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3kqi n THR 17 N -1.70 0.00 -5.16 3.34 -2.24 -1.26 -4.84 114.28 102.42 3kqi n THR 17 Ca 0.01 -0.16 -0.32 0.00 -2.27 0.00 0.00 64.05 61.31 3kqi n THR 17 Cb 0.09 0.29 -0.16 0.00 -2.10 0.00 0.00 70.33 68.45 3kqi n THR 17 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kqi s ARG 18 N -2.24 2.91 0.33 -0.78 0.52 -0.81 -5.11 118.95 113.78 3kqi s ARG 18 Ca 0.33 -0.85 -0.29 0.00 -0.52 0.00 0.00 55.73 54.40 3kqi s ARG 18 Cb 0.20 -2.30 -0.10 0.00 0.52 0.00 0.00 34.95 33.26 3kqi s ARG 18 CO 0.42 0.27 1.37 0.12 0.02 0.00 0.00 175.30 177.50 3kqi s PHE 19 N 0.13 2.92 0.05 -0.53 5.36 -1.26 -4.88 117.98 119.77 3kqi s PHE 19 Ca -0.12 1.30 0.02 0.00 -0.96 0.00 0.00 56.93 57.17 3kqi s PHE 19 Cb -0.16 -3.79 -0.03 0.00 -0.34 0.00 0.00 43.02 38.70 3kqi s PHE 19 CO 0.06 -2.27 -0.07 -1.64 -1.46 0.00 0.00 175.22 169.84 3kqi s MET 20 N -1.69 0.56 -0.01 10.12 -1.94 -1.26 -2.27 119.30 122.81 3kqi s MET 20 Ca 0.51 -0.87 0.04 0.00 -1.71 0.00 0.00 55.69 53.66 3kqi s MET 20 Cb -0.42 -0.18 -0.01 0.00 2.01 0.00 0.00 34.83 36.23 3kqi s MET 20 CO 0.54 0.01 -0.13 -1.50 -0.01 0.00 0.00 175.02 173.93 3kqi s ILE 21 N -1.97 1.04 -0.05 2.53 2.07 0.08 -4.89 121.20 120.01 3kqi s ILE 21 Ca -0.06 -0.59 -0.21 0.00 -1.41 0.00 0.00 60.65 58.38 3kqi s ILE 21 Cb -0.06 -0.87 -0.05 0.00 0.13 0.00 0.00 42.46 41.61 3kqi s ILE 21 CO -0.01 0.27 0.60 -0.70 -1.91 0.00 0.00 174.94 173.19 3kqi s GLU 22 N -0.36 4.36 -0.10 3.50 2.12 -1.26 -0.91 118.70 126.04 3kqi s GLU 22 Ca 0.05 0.72 -0.30 0.00 0.36 0.00 0.00 54.97 55.80 3kqi s GLU 22 Cb -0.05 -3.39 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 3kqi s GLU 22 CO -0.00 0.24 1.18 0.00 -0.54 0.00 0.00 175.26 176.13 3kqi h ASP 24 N 7.58 0.00 0.00 0.00 3.58 -1.16 -0.73 116.42 125.69 3kqi h ASP 24 Ca -0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.14 3kqi h ASP 24 Cb 1.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.19 3kqi h ASP 24 CO 0.90 0.03 -0.17 0.00 -2.88 0.00 0.00 179.24 177.13 3kqi h ALA 25 N 1.97 0.00 0.00 -0.78 0.00 -1.92 -3.40 119.26 115.13 3kqi h ALA 25 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3kqi h ALA 25 Cb 0.33 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3kqi h ALA 25 CO 0.00 0.17 -0.35 0.00 0.00 0.00 0.00 179.25 179.07 3kqi n LYS 27 N -1.87 -1.20 -1.97 0.00 4.76 -0.28 -5.00 118.16 112.59 3kqi n LYS 27 Ca 0.05 0.38 -0.29 0.00 -2.87 0.00 0.00 58.31 55.58 3kqi n LYS 27 Cb 0.39 -4.32 0.06 0.00 -1.84 0.00 0.00 35.03 29.32 3kqi n LYS 27 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3kqi s ASP 28 N -2.10 5.03 0.07 4.39 -1.08 -1.26 -4.80 116.67 116.92 3kqi s ASP 28 Ca 0.00 0.89 0.08 0.00 -0.52 0.00 0.00 52.55 52.99 3kqi s ASP 28 Cb 0.00 -1.57 -0.04 0.00 -1.46 0.00 0.00 42.92 39.85 3kqi s ASP 28 CO 0.00 -1.56 -0.17 0.26 0.52 0.00 0.00 175.17 174.22 3kqi s TRP 29 N -3.40 2.58 -0.04 -5.34 0.52 -1.26 -1.37 118.94 110.62 3kqi s TRP 29 Ca 0.59 -0.24 0.01 0.00 0.02 0.00 0.00 56.10 56.49 3kqi s TRP 29 Cb -0.11 -1.43 0.02 0.00 -1.15 0.00 0.00 33.47 30.80 3kqi s TRP 29 CO 0.49 0.32 -0.06 -0.06 0.02 0.00 0.00 176.95 177.66 3kqi s PHE 30 N -1.03 0.85 0.18 -1.98 0.08 -0.09 -0.28 117.98 115.71 3kqi s PHE 30 Ca 0.16 -0.24 -0.31 0.00 0.12 0.00 0.00 56.93 56.66 3kqi s PHE 30 Cb -0.11 -0.69 -0.10 0.00 -0.57 0.00 0.00 43.02 41.55 3kqi s PHE 30 CO 0.08 -0.17 1.54 -1.01 -0.10 0.00 0.00 175.22 175.55 3kqi s HIS 31 N 0.69 3.06 0.30 0.36 3.76 -1.26 -0.74 115.29 121.46 3kqi s HIS 31 Ca -0.10 0.72 0.05 0.00 -0.15 0.00 0.00 55.06 55.58 3kqi s HIS 31 Cb -0.13 -3.90 0.71 0.00 1.11 0.00 0.00 32.58 30.37 3kqi s HIS 31 CO 0.01 -3.23 1.79 0.78 -0.85 0.00 0.00 174.74 173.24 3kqi h GLY 32 N 6.45 1.72 2.00 -2.22 0.00 -1.64 -0.28 103.07 109.11 3kqi h GLY 32 Ca -0.43 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.49 3kqi h GLY 32 CO 0.89 -0.01 -0.18 1.48 0.00 0.00 0.00 176.54 178.71 3kqi h SER 33 N 0.81 0.00 1.31 0.19 4.64 -1.84 0.74 113.55 119.39 3kqi h SER 33 Ca 0.56 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.76 3kqi h SER 33 Cb 0.82 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.89 3kqi h SER 33 CO -0.35 0.18 -0.72 0.00 -0.87 0.00 0.00 176.83 175.08 3kqi n VAL 35 N -3.15 0.69 -2.73 0.00 0.24 -0.96 -5.01 118.33 107.41 3kqi n VAL 35 Ca -0.01 -0.83 -0.08 0.00 -2.04 0.00 0.00 64.34 61.39 3kqi n VAL 35 Cb 0.76 0.66 0.02 0.00 -1.47 0.00 0.00 33.84 33.81 3kqi n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kqi n GLY 36 N -0.34 0.38 3.14 7.63 0.00 0.08 -4.97 105.19 111.11 3kqi n GLY 36 Ca 0.00 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 3kqi n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kqi s VAL 37 N -2.97 2.01 0.20 1.61 1.01 -0.17 -5.04 120.40 117.05 3kqi s VAL 37 Ca 0.16 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 60.97 3kqi s VAL 37 Cb -0.07 -1.79 -0.08 0.00 0.00 0.00 0.00 36.38 34.44 3kqi s VAL 37 CO 0.20 0.54 0.77 -1.61 0.00 0.00 0.00 175.10 175.00 3kqi s GLU 38 N 0.98 4.45 0.27 2.72 2.02 -1.26 -4.18 118.70 123.69 3kqi s GLU 38 Ca -0.03 1.06 -0.00 0.00 0.02 0.00 0.00 54.97 56.02 3kqi s GLU 38 Cb -0.15 -3.07 0.53 0.00 0.10 0.00 0.00 34.13 31.55 3kqi s GLU 38 CO -0.05 0.47 1.80 1.49 0.02 0.00 0.00 175.26 178.99 3kqi h GLU 39 N 3.86 0.79 0.00 1.61 4.81 -1.97 -0.96 114.58 122.71 3kqi h GLU 39 Ca -0.47 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3kqi h GLU 39 Cb 1.20 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3kqi h GLU 39 CO 0.65 0.52 0.00 0.93 -0.73 0.00 0.00 179.01 180.39 3kqi h GLU 40 N 0.81 0.00 0.00 1.92 4.39 -2.06 -2.89 114.58 116.75 3kqi h GLU 40 Ca 0.47 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.12 3kqi h GLU 40 Cb 0.55 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 3kqi h GLU 40 CO -0.30 0.00 -1.25 -0.85 -1.16 0.00 0.00 179.01 175.45 3kqi n GLU 41 N -2.49 0.62 -0.12 2.33 0.28 -0.40 -4.47 120.64 116.39 3kqi n GLU 41 Ca 0.02 0.11 0.01 0.00 -0.16 0.00 0.00 57.16 57.15 3kqi n GLU 41 Cb 0.30 -1.78 0.30 0.00 1.43 0.00 0.00 31.44 31.69 3kqi n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3kqi h ALA 42 N 1.83 1.52 -0.11 -1.84 0.00 -1.24 -2.09 119.26 117.33 3kqi h ALA 42 Ca -0.06 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3kqi h ALA 42 Cb 1.18 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3kqi h ALA 42 CO 0.01 0.42 0.20 -1.35 0.00 0.00 0.00 179.25 178.54 3kqi h PRO 43 N 0.81 0.00 0.00 0.00 0.11 -1.78 0.37 132.00 131.50 3kqi h PRO 43 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3kqi h PRO 43 Cb -0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3kqi h PRO 43 CO -0.04 0.00 -0.22 -0.25 -0.21 0.00 0.00 178.00 177.28 3kqi n ASP 44 N -3.45 0.44 -4.69 -2.05 8.00 -0.78 -4.84 116.55 109.18 3kqi n ASP 44 Ca 0.00 0.30 -0.42 0.00 0.71 0.00 0.00 54.79 55.38 3kqi n ASP 44 Cb 0.30 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3kqi n ASP 44 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kqi s ILE 45 N -3.06 4.82 0.00 0.53 1.01 0.12 -0.61 121.20 124.01 3kqi s ILE 45 Ca 0.11 1.97 0.00 0.00 0.00 0.00 0.00 60.65 62.73 3kqi s ILE 45 Cb 0.16 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.35 3kqi s ILE 45 CO 0.62 0.04 0.00 -0.67 0.00 0.00 0.00 174.94 174.93 3kqi n ASP 46 N 4.80 0.00 -4.52 3.58 4.64 0.10 -4.71 116.55 120.45 3kqi n ASP 46 Ca 0.07 0.00 -0.41 0.00 -1.38 0.00 0.00 54.79 53.07 3kqi n ASP 46 Cb 0.49 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.48 3kqi n ASP 46 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3kqi s ILE 47 N 0.00 5.20 -0.14 5.18 1.01 -1.22 -4.95 121.20 126.27 3kqi s ILE 47 Ca 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 60.65 60.31 3kqi s ILE 47 Cb 0.00 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 3kqi s ILE 47 CO 0.00 -0.14 0.53 -0.47 0.00 0.00 0.00 174.94 174.86 3kqi s TYR 48 N 1.93 3.47 -0.11 3.97 5.04 -1.26 -1.00 117.35 129.37 3kqi s TYR 48 Ca 0.10 0.91 0.03 0.00 -2.44 0.00 0.00 57.07 55.66 3kqi s TYR 48 Cb -0.17 -2.64 -0.00 0.00 0.35 0.00 0.00 41.96 39.49 3kqi s TYR 48 CO 0.11 0.04 -0.22 -1.01 -1.34 0.00 0.00 175.55 173.14 3kqi s HIS 49 N 1.07 2.62 0.88 4.97 3.76 -1.26 -0.56 115.29 126.78 3kqi s HIS 49 Ca 0.27 -1.05 -0.11 0.00 -0.15 0.00 0.00 55.06 54.02 3kqi s HIS 49 Cb -0.16 -1.76 0.12 0.00 1.11 0.00 0.00 32.58 31.90 3kqi s HIS 49 CO 0.11 -0.43 1.10 0.00 -0.85 0.00 0.00 174.74 174.67 3kqi h PRO 51 N -1.59 0.55 -0.12 0.00 0.11 -2.00 0.48 132.00 129.43 3kqi h PRO 51 Ca -0.47 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3kqi h PRO 51 Cb 1.26 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3kqi h PRO 51 CO 0.49 0.37 -0.09 -0.91 -0.21 0.00 0.00 178.00 177.65 3kqi h ASN 52 N 0.57 0.29 0.70 -2.05 2.35 -2.03 -3.27 115.58 112.14 3kqi h ASN 52 Ca 0.53 -0.46 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 3kqi h ASN 52 Cb 1.07 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 3kqi h ASN 52 CO -0.27 0.69 -0.29 0.00 -1.65 0.00 0.00 177.43 175.91 3kqi h GLU 54 N 0.00 0.38 -0.43 0.00 5.08 -0.99 0.95 114.58 119.57 3kqi h GLU 54 Ca -0.00 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3kqi h GLU 54 Cb 0.72 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3kqi h GLU 54 CO 0.04 0.25 0.29 0.87 -1.00 0.00 0.00 179.01 179.46 3kqi h LYS 55 N 0.39 0.31 0.00 2.33 1.57 -1.67 -0.48 116.57 119.02 3kqi h LYS 55 Ca 0.51 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.25 3kqi h LYS 55 Cb 0.91 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 3kqi h LYS 55 CO -0.50 0.20 -1.19 0.25 -0.57 0.00 0.00 179.45 177.64 3kqi n THR 56 N -4.47 0.06 0.61 -0.16 -2.24 -0.97 -4.73 114.28 102.39 3kqi n THR 56 Ca 0.06 -0.10 0.07 0.00 -2.27 0.00 0.00 64.05 61.81 3kqi n THR 56 Cb 0.27 0.05 0.03 0.00 -2.10 0.00 0.00 70.33 68.58 3kqi n THR 56 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3kqi n HIS 57 N -1.77 0.00 0.00 4.78 8.25 0.29 -5.10 115.22 121.68 3kqi n HIS 57 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3kqi n HIS 57 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 3kqi n HIS 57 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kqi n GLY 58 N 0.94 -0.02 3.76 -1.41 0.00 -0.19 -4.95 105.19 103.31 3kqi n GLY 58 Ca 0.07 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 3kqi n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqi s LYS 59 N -2.55 2.46 0.71 1.61 1.02 -1.26 -4.32 119.74 117.42 3kqi s LYS 59 Ca 0.00 1.37 -0.16 0.00 0.02 0.00 0.00 55.97 57.20 3kqi s LYS 59 Cb 0.00 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 3kqi s LYS 59 CO 0.00 -1.51 0.98 0.43 -0.92 0.00 0.00 175.35 174.33 3kqi n SER 60 N -2.90 0.56 -4.64 2.83 7.64 -1.26 -4.85 113.62 110.99 3kqi n SER 60 Ca 0.10 0.68 -0.23 0.00 1.01 0.00 0.00 58.87 60.43 3kqi n SER 60 Cb 0.52 -1.41 -0.07 0.00 -1.01 0.00 0.00 64.21 62.24 3kqi n SER 60 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3kqi s THR 61 N -1.79 3.41 0.07 0.44 -4.23 -0.17 -4.98 115.64 108.39 3kqi s THR 61 Ca 0.74 -1.91 0.03 0.00 -1.18 0.00 0.00 61.69 59.36 3kqi s THR 61 Cb -0.35 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.61 3kqi s THR 61 CO 0.50 -0.37 0.07 -0.76 -0.54 0.00 0.00 174.62 173.51 3kqi s LEU 62 N -3.68 3.76 0.22 4.79 1.43 -1.26 -0.72 118.68 123.22 3kqi s LEU 62 Ca 0.32 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.10 3kqi s LEU 62 Cb -0.06 -2.40 -0.10 0.00 0.03 0.00 0.00 46.19 43.66 3kqi s LEU 62 CO 0.20 0.19 1.44 -0.54 0.23 0.00 0.00 176.35 177.87 3kqi s LYS 63 N -2.25 4.27 0.04 1.70 1.02 0.22 -4.60 119.74 120.14 3kqi s LYS 63 Ca 0.28 2.27 0.26 0.00 0.02 0.00 0.00 55.97 58.80 3kqi s LYS 63 Cb -0.12 -3.13 0.62 0.00 -0.52 0.00 0.00 37.83 34.68 3kqi s LYS 63 CO 0.20 -0.44 1.51 1.63 -0.92 0.00 0.00 175.35 177.33 3kqi n LYS 64 N 2.72 0.08 -3.89 1.68 5.02 -1.26 -4.89 118.16 117.63 3kqi n LYS 64 Ca 0.08 0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.31 3kqi n LYS 64 Cb 0.40 -1.56 -0.09 0.00 -0.02 0.00 0.00 35.03 33.77 3kqi n LYS 64 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3kqi s LYS 65 N -3.05 0.67 0.02 1.97 -2.85 -1.26 -5.18 119.74 110.07 3kqi s LYS 65 Ca 0.10 -0.76 0.01 0.00 -1.00 0.00 0.00 55.97 54.32 3kqi s LYS 65 Cb 0.17 0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 36.19 3kqi s LYS 65 CO 0.67 -0.18 -0.04 1.03 0.10 0.00 0.00 175.35 176.92 3kqi s ARG 66 N -2.85 0.34 -0.33 1.78 1.81 -1.26 -5.12 118.95 113.32 3kqi s ARG 66 Ca -0.03 -0.56 -0.25 0.00 -1.72 0.00 0.00 55.73 53.17 3kqi s ARG 66 Cb 0.00 -0.04 0.01 0.00 -0.45 0.00 0.00 34.95 34.47 3kqi s ARG 66 CO -0.06 -0.01 0.89 0.99 -0.68 0.00 0.00 175.30 176.43 3kqi s THR 67 N -1.21 4.67 0.06 0.02 2.01 -1.26 -5.04 115.64 114.90 3kqi s THR 67 Ca -0.12 1.28 -0.17 0.00 0.31 0.00 0.00 61.69 63.00 3kqi s THR 67 Cb -0.08 -4.26 -0.06 0.00 0.01 0.00 0.00 72.50 68.10 3kqi s THR 67 CO -0.00 -0.39 0.51 0.86 -0.69 0.00 0.00 174.62 174.91 3kqi s TRP 68 N 3.25 3.74 0.00 4.92 -0.00 -1.26 -5.25 118.94 124.34 3kqi s TRP 68 Ca 0.37 1.13 0.00 0.00 -0.00 0.00 0.00 56.10 57.59 3kqi s TRP 68 Cb -0.13 -2.39 0.00 0.00 -0.00 0.00 0.00 33.47 30.95 3kqi s TRP 68 CO 0.15 0.58 0.00 0.72 -0.00 0.00 0.00 176.95 178.40