#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6a s SER 2 N 0.00 0.11 0.30 1.61 0.15 -1.26 -5.20 113.70 109.42 1x6a s SER 2 Ca 0.00 -1.04 -0.19 0.00 0.70 0.00 0.00 55.95 55.42 1x6a s SER 2 Cb 0.00 0.67 0.06 0.00 -1.71 0.00 0.00 66.02 65.04 1x6a s SER 2 CO 0.00 -1.31 0.85 -0.94 1.20 0.00 0.00 173.24 173.05 1x6a s SER 3 N -3.06 -0.06 -0.03 5.45 1.04 -1.26 -5.20 113.70 110.59 1x6a s SER 3 Ca 0.21 -0.89 -0.30 0.00 0.48 0.00 0.00 55.95 55.46 1x6a s SER 3 Cb -0.02 0.72 0.11 0.00 0.10 0.00 0.00 66.02 66.93 1x6a s SER 3 CO 0.12 -1.41 0.98 -0.83 0.98 0.00 0.00 173.24 173.08 1x6a s GLY 4 N -3.11 -0.40 0.11 7.32 0.00 -1.26 -5.20 107.32 104.78 1x6a s GLY 4 Ca 0.16 1.04 -0.26 0.00 0.00 0.00 0.00 44.72 45.66 1x6a s GLY 4 CO 0.08 0.34 1.09 -0.45 0.00 0.00 0.00 173.10 174.16 1x6a s SER 5 N -2.48 -0.08 0.49 1.64 0.15 -1.26 -5.19 113.70 106.97 1x6a s SER 5 Ca 0.07 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.34 1x6a s SER 5 Cb -0.01 0.38 -0.02 0.00 -1.71 0.00 0.00 66.02 64.66 1x6a s SER 5 CO -0.07 -0.73 0.01 -0.44 1.20 0.00 0.00 173.24 173.21 1x6a s SER 6 N -3.15 4.01 -0.20 5.45 0.01 -1.26 -5.18 113.70 113.38 1x6a s SER 6 Ca 0.17 -1.62 -0.36 0.00 1.31 0.00 0.00 55.95 55.45 1x6a s SER 6 Cb -0.00 0.40 0.15 0.00 0.21 0.00 0.00 66.02 66.77 1x6a s SER 6 CO 0.01 -0.80 1.35 -0.83 0.41 0.00 0.00 173.24 173.38 1x6a s GLY 7 N -3.84 -0.30 0.32 3.44 0.00 -1.26 -5.19 107.32 100.50 1x6a s GLY 7 Ca 0.11 1.54 0.03 0.00 0.00 0.00 0.00 44.72 46.40 1x6a s GLY 7 CO 0.06 0.47 0.14 0.54 0.00 0.00 0.00 173.10 174.31 1x6a s LYS 8 N -2.16 1.65 0.14 2.90 1.02 -1.26 -5.18 119.74 116.86 1x6a s LYS 8 Ca 0.12 -1.95 0.10 0.00 0.02 0.00 0.00 55.97 54.26 1x6a s LYS 8 Cb 0.01 -0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 36.98 1x6a s LYS 8 CO -0.04 -0.41 -0.22 0.16 -0.92 0.00 0.00 175.35 173.92 1x6a s ASP 9 N -3.43 3.62 0.00 2.83 1.47 -1.26 -5.03 116.67 114.87 1x6a s ASP 9 Ca 0.34 -0.69 0.00 0.00 1.18 0.00 0.00 52.55 53.38 1x6a s ASP 9 Cb 0.05 -0.38 0.00 0.00 -0.34 0.00 0.00 42.92 42.25 1x6a s ASP 9 CO 0.16 0.16 0.00 -1.22 0.68 0.00 0.00 175.17 174.96 1x6a n TYR 10 N 0.68 0.00 -1.50 2.11 4.01 -1.26 -4.95 117.16 116.24 1x6a n TYR 10 Ca -0.16 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.17 1x6a n TYR 10 Cb 0.54 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.55 1x6a n TYR 10 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1x6a n TRP 11 N -0.01 2.92 0.04 -0.72 7.02 -1.26 -4.79 117.44 120.64 1x6a n TRP 11 Ca 0.00 -2.65 -0.12 0.00 -1.02 0.00 0.00 57.50 53.71 1x6a n TRP 11 Cb 0.00 -2.30 -0.08 0.00 -2.42 0.00 0.00 31.31 26.51 1x6a n TRP 11 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1x6a h GLY 12 N 10.60 -1.19 -2.19 6.99 0.00 -1.97 -3.47 103.07 111.84 1x6a h GLY 12 Ca 0.56 0.65 0.26 0.00 0.00 0.00 0.00 47.33 48.81 1x6a h GLY 12 CO 1.88 -0.30 0.73 -1.59 0.00 0.00 0.00 176.54 177.26 1x6a s LYS 13 N -5.13 0.76 0.00 4.80 -2.85 -1.26 -5.00 119.74 111.05 1x6a s LYS 13 Ca -0.12 -0.46 0.03 0.00 -1.00 0.00 0.00 55.97 54.42 1x6a s LYS 13 Cb 0.05 0.23 0.20 0.00 -2.06 0.00 0.00 37.83 36.26 1x6a s LYS 13 CO 0.48 -0.35 0.75 1.19 0.10 0.00 0.00 175.35 177.52 1x6a n PHE 14 N -0.63 0.00 -2.58 1.78 3.72 -1.26 -4.78 117.46 113.71 1x6a n PHE 14 Ca -0.04 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.06 1x6a n PHE 14 Cb 0.61 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.12 1x6a n PHE 14 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1x6a s GLY 15 N -1.52 1.89 0.48 1.37 0.00 -1.26 -5.08 107.32 103.20 1x6a s GLY 15 Ca 0.05 -0.11 -0.14 0.00 0.00 0.00 0.00 44.72 44.52 1x6a s GLY 15 CO 0.04 0.11 0.91 -0.54 0.00 0.00 0.00 173.10 173.62 1x6a s GLU 16 N -4.18 3.88 0.27 2.90 0.41 -1.26 -4.99 118.70 115.74 1x6a s GLU 16 Ca 0.53 0.78 0.11 0.00 -0.41 0.00 0.00 54.97 55.99 1x6a s GLU 16 Cb -0.10 -2.22 -0.05 0.00 -1.78 0.00 0.00 34.13 29.98 1x6a s GLU 16 CO 0.36 -0.19 -0.15 -0.06 -0.49 0.00 0.00 175.26 174.73 1x6a s PHE 17 N -2.55 2.41 -0.47 1.61 0.40 -1.26 -3.53 117.98 114.59 1x6a s PHE 17 Ca 0.56 -0.30 -0.28 0.00 -0.60 0.00 0.00 56.93 56.31 1x6a s PHE 17 Cb -0.10 -1.06 0.01 0.00 0.51 0.00 0.00 43.02 42.38 1x6a s PHE 17 CO 0.32 0.68 1.49 0.00 0.70 0.00 0.00 175.22 178.40 1x6a h HIS 19 N 11.37 0.18 0.43 0.00 3.86 -1.27 0.41 115.15 130.13 1x6a h HIS 19 Ca -0.28 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 58.92 1x6a h HIS 19 Cb 1.11 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.54 1x6a h HIS 19 CO 1.00 -0.01 -0.21 0.78 0.86 0.00 0.00 177.93 180.34 1x6a h GLY 20 N 0.08 -0.61 1.30 2.45 0.00 -1.90 -3.36 103.07 101.04 1x6a h GLY 20 Ca 0.66 0.23 0.00 0.00 0.00 0.00 0.00 47.33 48.21 1x6a h GLY 20 CO -0.11 -0.22 -0.41 0.00 0.00 0.00 0.00 176.54 175.80 1x6a n SER 22 N -1.73 -5.52 -4.18 0.00 2.88 0.14 -5.00 113.62 100.20 1x6a n SER 22 Ca 0.05 -0.50 -0.24 0.00 -1.33 0.00 0.00 58.87 56.85 1x6a n SER 22 Cb 0.37 -4.61 -0.15 0.00 -0.75 0.00 0.00 64.21 59.08 1x6a n SER 22 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1x6a s LEU 23 N -6.61 2.07 1.14 2.46 1.43 -1.25 -4.88 118.68 113.04 1x6a s LEU 23 Ca 0.47 -0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.08 1x6a s LEU 23 Cb -0.21 -0.88 0.25 0.00 0.03 0.00 0.00 46.19 45.38 1x6a s LEU 23 CO 0.66 0.19 0.92 -0.11 0.23 0.00 0.00 176.35 178.24 1x6a n LEU 24 N 2.46 -1.00 -4.06 1.79 7.94 -1.26 -0.74 117.00 122.14 1x6a n LEU 24 Ca -0.15 -0.09 -0.08 0.00 -1.11 0.00 0.00 56.01 54.58 1x6a n LEU 24 Cb 0.54 -1.25 -0.10 0.00 0.53 0.00 0.00 43.42 43.13 1x6a n LEU 24 CO 0.24 -3.16 -0.36 0.00 -1.11 0.00 0.00 177.39 173.00 1x6a s MET 25 N -4.31 0.54 -0.03 1.96 0.23 -1.23 -4.75 119.30 111.70 1x6a s MET 25 Ca 0.67 -1.06 0.22 0.00 -1.03 0.00 0.00 55.69 54.48 1x6a s MET 25 Cb -0.24 0.19 0.39 0.00 -1.53 0.00 0.00 34.83 33.64 1x6a s MET 25 CO 0.65 -0.10 1.16 0.25 -2.03 0.00 0.00 175.02 174.95 1x6a n THR 26 N 0.48 0.36 -3.08 3.16 -2.24 -1.26 -4.89 114.28 106.81 1x6a n THR 26 Ca -0.17 -1.28 0.00 0.00 -2.27 0.00 0.00 64.05 60.33 1x6a n THR 26 Cb 0.59 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 1x6a n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x6a n GLY 27 N 0.19 2.58 3.68 3.38 0.00 -1.26 -5.17 105.19 108.59 1x6a n GLY 27 Ca 0.08 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 1x6a n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6a s PRO 28 N -1.58 0.54 0.28 1.61 0.04 -1.26 -5.09 135.00 129.55 1x6a s PRO 28 Ca 0.00 0.59 -0.08 0.00 0.04 0.00 0.00 61.00 61.55 1x6a s PRO 28 Cb 0.00 -1.74 -0.00 0.00 0.04 0.00 0.00 34.50 32.79 1x6a s PRO 28 CO 0.00 -2.67 0.45 -0.59 0.04 0.00 0.00 177.00 174.23 1x6a s PHE 29 N -2.94 0.69 -0.07 0.56 -0.71 -1.26 -4.71 117.98 109.53 1x6a s PHE 29 Ca 0.65 -1.00 -0.02 0.00 -1.04 0.00 0.00 56.93 55.52 1x6a s PHE 29 Cb -0.19 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.62 1x6a s PHE 29 CO 0.58 -1.02 0.03 1.41 -1.34 0.00 0.00 175.22 174.88 1x6a s MET 30 N -3.64 3.05 -0.18 1.99 -2.45 -1.23 -4.94 119.30 111.90 1x6a s MET 30 Ca 0.27 -0.39 -0.05 0.00 -1.25 0.00 0.00 55.69 54.27 1x6a s MET 30 Cb 0.00 -2.86 -0.03 0.00 1.25 0.00 0.00 34.83 33.20 1x6a s MET 30 CO 0.13 0.70 0.00 0.08 1.05 0.00 0.00 175.02 176.99 1x6a s VAL 31 N -0.96 4.18 -0.26 10.11 1.01 -1.26 -3.99 120.40 129.23 1x6a s VAL 31 Ca 0.15 -0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 1x6a s VAL 31 Cb -0.12 -2.87 0.13 0.00 0.00 0.00 0.00 36.38 33.53 1x6a s VAL 31 CO 0.05 0.46 1.08 0.00 0.00 0.00 0.00 175.10 176.69 1x6a s ALA 32 N 0.56 -2.00 -1.60 5.51 0.00 -1.26 -4.98 121.76 117.99 1x6a s ALA 32 Ca -0.00 1.80 -0.00 0.00 0.00 0.00 0.00 51.96 53.75 1x6a s ALA 32 Cb -0.14 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1x6a s ALA 32 CO 0.02 -0.23 0.03 0.41 0.00 0.00 0.00 175.76 175.99 1x6a n GLY 33 N 1.83 -0.50 2.69 0.00 0.00 -1.26 -2.77 105.19 105.17 1x6a n GLY 33 Ca -0.11 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 1x6a n GLY 33 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x6a n GLU 34 N -3.02 -1.99 -2.88 1.61 0.28 -1.26 -4.94 120.64 108.45 1x6a n GLU 34 Ca -0.22 0.36 -0.16 0.00 -0.16 0.00 0.00 57.16 56.98 1x6a n GLU 34 Cb 0.67 -4.26 0.01 0.00 1.43 0.00 0.00 31.44 29.29 1x6a n GLU 34 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1x6a n PHE 35 N -1.41 -1.29 -4.15 -1.84 3.72 -1.12 -5.14 117.46 106.23 1x6a n PHE 35 Ca -0.00 -1.53 -0.27 0.00 -0.05 0.00 0.00 57.45 55.60 1x6a n PHE 35 Cb 0.35 -0.32 -0.17 0.00 -0.94 0.00 0.00 39.48 38.41 1x6a n PHE 35 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1x6a s LYS 36 N -3.57 1.78 0.05 -1.08 -0.14 -1.26 -4.21 119.74 111.31 1x6a s LYS 36 Ca 0.26 -0.38 0.02 0.00 -1.36 0.00 0.00 55.97 54.51 1x6a s LYS 36 Cb -0.02 -1.66 -0.03 0.00 -1.68 0.00 0.00 37.83 34.44 1x6a s LYS 36 CO 0.16 -0.17 -0.07 0.71 -0.76 0.00 0.00 175.35 175.23 1x6a s TYR 37 N 1.33 0.68 0.57 3.18 2.02 -1.26 -0.74 117.35 123.14 1x6a s TYR 37 Ca -0.01 -0.59 -0.19 0.00 -0.37 0.00 0.00 57.07 55.91 1x6a s TYR 37 Cb -0.14 -0.41 -0.04 0.00 -0.40 0.00 0.00 41.96 40.97 1x6a s TYR 37 CO -0.05 -0.11 1.14 -1.01 -1.57 0.00 0.00 175.55 173.94 1x6a s HIS 38 N -1.86 2.62 0.10 2.71 3.76 -1.26 -3.52 115.29 117.83 1x6a s HIS 38 Ca -0.06 1.54 -0.22 0.00 -0.15 0.00 0.00 55.06 56.17 1x6a s HIS 38 Cb -0.07 -3.29 -0.13 0.00 1.11 0.00 0.00 32.58 30.20 1x6a s HIS 38 CO -0.01 -1.68 1.74 -1.00 -0.85 0.00 0.00 174.74 172.94 1x6a h PRO 39 N 0.94 0.08 0.00 8.40 0.13 -1.92 -1.27 132.00 138.37 1x6a h PRO 39 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1x6a h PRO 39 Cb 1.26 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x6a h PRO 39 CO 0.56 0.07 0.00 -0.85 -0.23 0.00 0.00 178.00 177.55 1x6a n GLU 40 N -5.04 0.05 -0.11 0.86 0.28 -1.26 -1.51 120.64 113.91 1x6a n GLU 40 Ca -0.06 0.26 0.10 0.00 -0.16 0.00 0.00 57.16 57.30 1x6a n GLU 40 Cb 0.04 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 31.55 1x6a n GLU 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x6a s PHE 42 N -2.90 3.46 0.08 0.00 5.36 -0.57 -4.72 117.98 118.69 1x6a s PHE 42 Ca 0.33 -3.11 0.01 0.00 -0.96 0.00 0.00 56.93 53.20 1x6a s PHE 42 Cb 0.29 -2.94 -0.04 0.00 -0.34 0.00 0.00 43.02 39.99 1x6a s PHE 42 CO 0.03 -0.70 -0.05 0.00 -1.46 0.00 0.00 175.22 173.03 1x6a s ALA 43 N -0.77 0.79 0.01 11.12 0.00 -1.26 -0.88 121.76 130.77 1x6a s ALA 43 Ca 0.21 -1.28 -0.30 0.00 0.00 0.00 0.00 51.96 50.59 1x6a s ALA 43 Cb -0.15 0.20 -0.07 0.00 0.00 0.00 0.00 23.12 23.10 1x6a s ALA 43 CO -0.08 -0.28 1.58 0.00 0.00 0.00 0.00 175.76 176.98 1x6a h MET 45 N 8.55 -0.10 0.95 0.00 2.86 -1.54 0.28 114.93 125.93 1x6a h MET 45 Ca -0.40 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.20 1x6a h MET 45 Cb 1.19 0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.88 1x6a h MET 45 CO 0.93 -0.07 -0.46 1.03 1.06 0.00 0.00 176.91 179.40 1x6a h SER 46 N -0.11 -1.08 0.99 1.22 0.87 -1.91 -3.25 113.55 110.29 1x6a h SER 46 Ca 0.15 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1x6a h SER 46 Cb 0.33 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1x6a h SER 46 CO -0.35 -0.77 -0.28 0.00 -0.53 0.00 0.00 176.83 174.90 1x6a n LYS 48 N -1.89 -0.30 -2.39 0.00 4.76 0.99 -4.99 118.16 114.35 1x6a n LYS 48 Ca 0.05 0.07 -0.41 0.00 -2.87 0.00 0.00 58.31 55.16 1x6a n LYS 48 Cb 0.39 -3.84 -0.04 0.00 -1.84 0.00 0.00 35.03 29.71 1x6a n LYS 48 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1x6a s VAL 49 N -1.99 3.36 0.57 -0.18 0.11 -1.26 -4.66 120.40 116.36 1x6a s VAL 49 Ca 0.00 1.32 -0.19 0.00 -2.93 0.00 0.00 61.98 60.17 1x6a s VAL 49 Cb 0.00 -3.84 -0.04 0.00 -1.53 0.00 0.00 36.38 30.97 1x6a s VAL 49 CO 0.00 0.29 1.20 -0.63 -3.33 0.00 0.00 175.10 172.63 1x6a s ILE 50 N -0.91 2.72 0.08 7.04 -1.09 -1.26 -1.11 121.20 126.67 1x6a s ILE 50 Ca 0.47 0.47 0.07 0.00 -2.23 0.00 0.00 60.65 59.42 1x6a s ILE 50 Cb -0.34 -3.20 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 1x6a s ILE 50 CO 0.42 -0.08 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.31 1x6a s ILE 51 N -1.60 3.33 0.38 2.92 1.01 -0.06 -4.83 121.20 122.35 1x6a s ILE 51 Ca 0.75 -1.20 0.04 0.00 0.00 0.00 0.00 60.65 60.24 1x6a s ILE 51 Cb -0.30 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1x6a s ILE 51 CO 0.33 0.18 0.15 -1.61 0.00 0.00 0.00 174.94 173.99 1x6a s GLU 52 N -2.01 1.84 0.00 2.79 2.02 -1.26 -4.88 118.70 117.19 1x6a s GLU 52 Ca 0.20 -2.10 0.00 0.00 0.02 0.00 0.00 54.97 53.09 1x6a s GLU 52 Cb -0.11 -0.42 0.00 0.00 0.10 0.00 0.00 34.13 33.70 1x6a s GLU 52 CO 0.12 -0.48 0.37 -0.40 0.02 0.00 0.00 175.26 174.88 1x6a n ASP 53 N -1.24 0.77 -0.00 -0.19 5.75 -1.26 -2.93 116.55 117.44 1x6a n ASP 53 Ca -0.03 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.35 1x6a n ASP 53 Cb 0.65 -0.35 -0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1x6a n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x6a n GLY 54 N 0.17 0.79 0.00 6.12 0.00 -1.26 -5.08 105.19 105.93 1x6a n GLY 54 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1x6a n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x6a n ASP 55 N -1.09 1.84 -4.42 1.61 2.03 -1.15 -5.16 116.55 110.21 1x6a n ASP 55 Ca 0.00 -0.53 -0.32 0.00 0.52 0.00 0.00 54.79 54.47 1x6a n ASP 55 Cb 0.01 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.27 1x6a n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x6a s ALA 56 N -2.00 2.49 0.20 -1.67 0.00 -1.26 -4.96 121.76 114.56 1x6a s ALA 56 Ca 0.00 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 50.94 1x6a s ALA 56 Cb 0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 1x6a s ALA 56 CO 0.00 0.55 -0.07 1.52 0.00 0.00 0.00 175.76 177.76 1x6a s TYR 57 N -0.73 1.52 0.02 0.00 1.13 -1.26 -0.70 117.35 117.32 1x6a s TYR 57 Ca 0.12 -0.77 -0.03 0.00 -1.41 0.00 0.00 57.07 54.97 1x6a s TYR 57 Cb -0.10 -0.81 -0.01 0.00 -1.10 0.00 0.00 41.96 39.94 1x6a s TYR 57 CO 0.01 0.11 0.04 0.00 -2.51 0.00 0.00 175.55 173.20 1x6a s ALA 58 N -3.26 -0.05 -0.21 9.51 0.00 -0.40 -4.73 121.76 122.64 1x6a s ALA 58 Ca 0.23 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.76 1x6a s ALA 58 Cb 0.03 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.34 1x6a s ALA 58 CO 0.06 -0.19 -0.11 -1.17 0.00 0.00 0.00 175.76 174.34 1x6a s LEU 59 N -1.52 2.42 -0.26 0.00 2.96 -1.26 -1.56 118.68 119.45 1x6a s LEU 59 Ca -0.14 -0.95 -0.17 0.00 -0.22 0.00 0.00 54.13 52.66 1x6a s LEU 59 Cb -0.08 -1.28 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 1x6a s LEU 59 CO -0.01 -0.15 0.45 -0.69 -1.32 0.00 0.00 176.35 174.64 1x6a s VAL 60 N 1.36 5.12 -0.84 1.68 1.01 -0.22 -4.33 120.40 124.18 1x6a s VAL 60 Ca -0.02 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1x6a s VAL 60 Cb -0.17 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1x6a s VAL 60 CO -0.08 0.12 0.00 0.00 0.00 0.00 0.00 175.10 175.14 1x6a n GLN 61 N 5.40 -1.81 -2.73 2.72 6.02 -1.26 -0.99 117.38 124.72 1x6a n GLN 61 Ca -0.06 0.47 -0.17 0.00 -0.01 0.00 0.00 57.00 57.23 1x6a n GLN 61 Cb 0.50 -4.84 0.00 0.00 1.02 0.00 0.00 30.24 26.93 1x6a n GLN 61 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1x6a n HIS 62 N -2.34 -1.53 0.00 1.08 8.25 -1.26 -4.80 115.22 114.62 1x6a n HIS 62 Ca -0.10 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1x6a n HIS 62 Cb 0.43 -3.24 0.00 0.00 1.12 0.00 0.00 29.99 28.30 1x6a n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x6a n ALA 63 N -2.69 1.31 -2.95 -1.41 0.00 -0.16 -5.09 120.51 109.51 1x6a n ALA 63 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 1x6a n ALA 63 Cb 0.61 0.04 -0.12 0.00 0.00 0.00 0.00 19.45 19.98 1x6a n ALA 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1x6a s THR 64 N -1.31 0.07 -0.13 0.00 2.01 -0.79 -5.01 115.64 110.48 1x6a s THR 64 Ca 0.00 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.41 1x6a s THR 64 Cb 0.00 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.30 1x6a s THR 64 CO 0.00 -0.31 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.36 1x6a s LEU 65 N -0.92 3.29 0.15 4.42 2.96 -1.26 -1.05 118.68 126.27 1x6a s LEU 65 Ca -0.10 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 53.73 1x6a s LEU 65 Cb -0.06 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1x6a s LEU 65 CO -0.00 0.23 0.06 -0.31 -1.32 0.00 0.00 176.35 175.01 1x6a s TYR 66 N -0.03 0.97 0.39 5.38 2.02 -0.60 -1.29 117.35 124.20 1x6a s TYR 66 Ca 0.01 -1.23 0.00 0.00 -0.37 0.00 0.00 57.07 55.48 1x6a s TYR 66 Cb -0.13 -0.53 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 1x6a s TYR 66 CO 0.03 -0.50 0.60 0.00 -1.57 0.00 0.00 175.55 174.11 1x6a h GLY 68 N 0.60 0.92 0.94 0.00 0.00 -1.20 0.20 103.07 104.53 1x6a h GLY 68 Ca -0.48 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 46.63 1x6a h GLY 68 CO 0.60 0.08 -0.18 0.50 0.00 0.00 0.00 176.54 177.54 1x6a h LYS 69 N 0.56 -0.45 -0.67 4.80 1.79 -1.95 -1.60 116.57 119.05 1x6a h LYS 69 Ca 0.30 0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.79 1x6a h LYS 69 Cb 0.27 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.99 1x6a h LYS 69 CO -0.23 -0.30 0.37 0.00 -1.08 0.00 0.00 179.45 178.21 1x6a h HIS 71 N 0.92 0.00 0.00 0.00 -0.00 -0.34 -2.85 115.15 112.89 1x6a h HIS 71 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1x6a h HIS 71 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 1x6a h HIS 71 CO 0.01 0.00 -0.20 -1.71 -0.00 0.00 0.00 177.93 176.02 1x6a n ASN 72 N -2.45 0.56 -0.08 3.26 5.15 -0.56 -3.60 115.26 117.54 1x6a n ASN 72 Ca 0.03 0.36 -0.11 0.00 -0.60 0.00 0.00 54.58 54.26 1x6a n ASN 72 Cb 0.33 -0.38 -0.15 0.00 -0.53 0.00 0.00 39.78 39.04 1x6a n ASN 72 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1x6a n GLU 73 N -1.96 0.67 0.03 1.20 0.28 -1.08 -4.25 120.64 115.53 1x6a n GLU 73 Ca 0.05 0.10 -0.10 0.00 -0.16 0.00 0.00 57.16 57.06 1x6a n GLU 73 Cb 0.40 -1.60 0.03 0.00 1.43 0.00 0.00 31.44 31.70 1x6a n GLU 73 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 177.13 176.73 1x6a h VAL 74 N 0.00 1.35 0.00 3.84 3.04 -1.65 -3.14 116.25 119.69 1x6a h VAL 74 Ca -0.48 -1.98 0.00 0.00 -1.01 0.00 0.00 66.70 63.23 1x6a h VAL 74 Cb 2.14 1.96 0.00 0.00 -2.01 0.00 0.00 31.29 33.38 1x6a h VAL 74 CO 0.03 0.61 0.00 -0.37 -1.01 0.00 0.00 177.57 176.83 1x6a h VAL 75 N 0.35 0.00 -3.97 1.51 -1.51 -1.78 -3.46 116.25 107.40 1x6a h VAL 75 Ca -0.02 -0.50 -0.47 0.00 -1.23 0.00 0.00 66.70 64.48 1x6a h VAL 75 Cb 1.22 1.41 0.16 0.00 -2.13 0.00 0.00 31.29 31.95 1x6a h VAL 75 CO 0.12 0.00 0.21 -0.55 -1.23 0.00 0.00 177.57 176.12 1x6a s SER 76 N -5.09 3.02 -0.28 4.19 0.15 -1.19 -4.89 113.70 109.61 1x6a s SER 76 Ca 0.05 1.46 -0.32 0.00 0.70 0.00 0.00 55.95 57.83 1x6a s SER 76 Cb 0.09 -2.13 -0.09 0.00 -1.71 0.00 0.00 66.02 62.18 1x6a s SER 76 CO 0.53 -2.92 2.18 0.61 1.20 0.00 0.00 173.24 174.84 1x6a n GLY 77 N -0.88 0.76 2.48 9.45 0.00 -1.26 -4.98 105.19 110.77 1x6a n GLY 77 Ca 0.06 0.87 -0.19 0.00 0.00 0.00 0.00 46.02 46.77 1x6a n GLY 77 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x6a n PRO 78 N 8.30 -0.80 -1.34 1.61 -0.04 -1.26 -5.06 135.00 136.40 1x6a n PRO 78 Ca 0.36 -1.34 -0.30 0.00 -0.04 0.00 0.00 63.50 62.18 1x6a n PRO 78 Cb 0.32 -0.86 0.12 0.00 -0.04 0.00 0.00 33.50 33.04 1x6a n PRO 78 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x6a s SER 79 N -4.11 3.76 0.00 3.54 1.04 -1.26 -4.96 113.70 111.71 1x6a s SER 79 Ca 0.48 1.37 0.29 0.00 0.48 0.00 0.00 55.95 58.57 1x6a s SER 79 Cb -0.01 -2.06 1.21 0.00 0.10 0.00 0.00 66.02 65.25 1x6a s SER 79 CO 0.34 -2.44 1.88 -1.20 0.98 0.00 0.00 173.24 172.80 1x6a n SER 80 N -3.74 0.13 0.00 7.02 7.64 -1.26 -5.30 113.62 118.11 1x6a n SER 80 Ca 0.07 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1x6a n SER 80 Cb 0.56 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1x6a n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64