#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 7.14 0.17 1.61 0.15 -1.26 -5.02 113.70 116.49 1x6a s SER 2 Ca 0.00 2.11 -0.23 0.00 0.70 0.00 0.00 55.95 58.53 1x6a s SER 2 Cb 0.00 -2.60 0.06 0.00 -1.71 0.00 0.00 66.02 61.77 1x6a s SER 2 CO 0.00 -0.36 0.71 -0.94 1.20 0.00 0.00 173.24 173.85 1x6a s SER 3 N 0.39 -0.41 0.00 5.45 1.04 -1.26 -5.19 113.70 113.72 1x6a s SER 3 Ca 0.54 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.75 1x6a s SER 3 Cb -0.31 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1x6a s SER 3 CO 0.33 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1x6a n GLY 4 N -0.39 2.51 3.52 7.32 0.00 -1.26 -5.15 105.19 111.74 1x6a n GLY 4 Ca -0.11 -1.33 -0.06 0.00 0.00 0.00 0.00 46.02 44.52 1x6a n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x6a s SER 5 N 0.00 -0.83 0.80 1.61 0.15 -1.26 -5.17 113.70 108.99 1x6a s SER 5 Ca 0.00 1.35 -0.12 0.00 0.70 0.00 0.00 55.95 57.88 1x6a s SER 5 Cb 0.00 1.54 0.07 0.00 -1.71 0.00 0.00 66.02 65.92 1x6a s SER 5 CO 0.00 -0.22 1.16 -0.44 1.20 0.00 0.00 173.24 174.94 1x6a s SER 6 N 2.11 4.61 0.00 5.45 0.01 -1.26 -4.96 113.70 119.66 1x6a s SER 6 Ca -0.08 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.05 1x6a s SER 6 Cb -0.09 -1.42 0.00 0.00 0.21 0.00 0.00 66.02 64.72 1x6a s SER 6 CO -0.17 -1.85 0.00 0.61 0.41 0.00 0.00 173.24 172.24 1x6a n GLY 7 N -3.17 -2.25 0.60 3.44 0.00 -1.26 -5.09 105.19 97.46 1x6a n GLY 7 Ca 0.08 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1x6a n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x6a n LYS 8 N -2.13 0.00 -3.42 1.61 4.81 -1.26 -5.14 118.16 112.63 1x6a n LYS 8 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 1x6a n LYS 8 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1x6a n LYS 8 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1x6a s ASP 9 N 1.00 6.51 0.00 3.14 1.01 -1.26 -4.97 116.67 122.11 1x6a s ASP 9 Ca 0.00 0.76 0.00 0.00 0.71 0.00 0.00 52.55 54.02 1x6a s ASP 9 Cb 0.00 -2.16 0.00 0.00 1.01 0.00 0.00 42.92 41.77 1x6a s ASP 9 CO 0.00 -0.11 0.00 0.00 0.21 0.00 0.00 175.17 175.27 1x6a n TYR 10 N -0.51 0.00 0.27 4.23 0.18 -1.26 -4.94 117.16 115.13 1x6a n TYR 10 Ca -0.01 0.00 0.16 0.00 1.88 0.00 0.00 57.90 59.93 1x6a n TYR 10 Cb 0.53 0.00 0.69 0.00 -0.38 0.00 0.00 39.34 40.18 1x6a n TYR 10 CO 0.00 0.00 0.00 -1.49 -2.08 0.00 0.00 176.86 173.29 1x6a h TRP 11 N 0.00 0.00 -3.08 -3.48 4.06 -2.09 -3.48 115.95 107.89 1x6a h TRP 11 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1x6a h TRP 11 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1x6a h TRP 11 CO 0.00 0.05 -0.03 0.41 -3.56 0.00 0.00 178.44 175.31 1x6a n GLY 12 N -0.09 -1.95 2.58 1.49 0.00 -1.26 -5.08 105.19 100.88 1x6a n GLY 12 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 1x6a n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x6a s LYS 13 N -0.48 0.93 0.00 1.61 2.47 -1.26 -5.01 119.74 118.00 1x6a s LYS 13 Ca 0.00 -1.55 0.00 0.00 -1.56 0.00 0.00 55.97 52.86 1x6a s LYS 13 Cb -0.00 -0.80 0.00 0.00 -1.46 0.00 0.00 37.83 35.56 1x6a s LYS 13 CO 0.03 -1.34 1.06 0.34 0.16 0.00 0.00 175.35 175.60 1x6a n PHE 14 N 3.07 0.00 -1.00 4.03 7.35 -1.26 -4.83 117.46 124.82 1x6a n PHE 14 Ca 0.23 -0.53 0.00 0.00 -0.76 0.00 0.00 57.45 56.39 1x6a n PHE 14 Cb 0.51 -0.28 0.00 0.00 0.35 0.00 0.00 39.48 40.05 1x6a n PHE 14 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1x6a n GLY 15 N 0.80 -0.59 3.88 7.13 0.00 -1.26 -5.09 105.19 110.06 1x6a n GLY 15 Ca 0.00 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 1x6a n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x6a s GLU 16 N -1.88 3.55 0.18 1.61 8.01 -1.26 -5.10 118.70 123.81 1x6a s GLU 16 Ca 0.00 -0.10 0.06 0.00 0.01 0.00 0.00 54.97 54.94 1x6a s GLU 16 Cb 0.00 -3.12 -0.05 0.00 -4.31 0.00 0.00 34.13 26.66 1x6a s GLU 16 CO 0.00 0.69 -0.12 -0.06 0.01 0.00 0.00 175.26 175.78 1x6a s PHE 17 N -1.22 1.48 -0.48 1.61 0.40 -1.26 -2.97 117.98 115.54 1x6a s PHE 17 Ca 0.24 -0.68 -0.28 0.00 -0.60 0.00 0.00 56.93 55.61 1x6a s PHE 17 Cb -0.13 -0.72 0.00 0.00 0.51 0.00 0.00 43.02 42.68 1x6a s PHE 17 CO 0.13 0.20 1.53 0.00 0.70 0.00 0.00 175.22 177.79 1x6a h HIS 19 N 11.73 0.67 0.00 0.00 3.86 -1.73 0.27 115.15 129.95 1x6a h HIS 19 Ca -0.28 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 58.94 1x6a h HIS 19 Cb 1.12 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 29.43 1x6a h HIS 19 CO 1.00 -0.10 -0.16 0.78 0.86 0.00 0.00 177.93 180.32 1x6a h GLY 20 N 0.36 0.00 0.00 2.45 0.00 -1.90 -3.29 103.07 100.69 1x6a h GLY 20 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1x6a h GLY 20 CO -0.57 0.00 0.00 0.00 0.00 0.00 0.00 176.54 175.97 1x6a n SER 22 N -0.69 0.00 -4.79 0.00 2.88 0.71 -4.97 113.62 106.75 1x6a n SER 22 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 1x6a n SER 22 Cb 0.00 -0.55 -0.05 0.00 -0.75 0.00 0.00 64.21 62.87 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 0.00 4.00 0.72 2.46 1.43 -1.26 -4.65 118.68 121.38 1x6a s LEU 23 Ca 0.00 1.92 -0.16 0.00 -1.03 0.00 0.00 54.13 54.86 1x6a s LEU 23 Cb 0.00 -4.38 0.03 0.00 0.03 0.00 0.00 46.19 41.87 1x6a s LEU 23 CO 0.00 -0.55 1.24 -0.22 0.23 0.00 0.00 176.35 177.05 1x6a s LEU 24 N -3.03 3.37 -0.17 1.79 2.96 -1.26 -0.81 118.68 121.54 1x6a s LEU 24 Ca 0.62 2.47 -0.09 0.00 -0.22 0.00 0.00 54.13 56.91 1x6a s LEU 24 Cb -0.17 -4.60 -0.07 0.00 0.50 0.00 0.00 46.19 41.85 1x6a s LEU 24 CO 0.22 -2.29 -0.22 1.15 -1.32 0.00 0.00 176.35 173.89 1x6a n MET 25 N -2.56 0.36 -2.42 1.98 0.00 -1.16 -4.71 117.12 108.61 1x6a n MET 25 Ca 0.14 0.16 -0.04 0.00 0.00 0.00 0.00 57.70 57.96 1x6a n MET 25 Cb 0.49 -1.11 -0.00 0.00 0.00 0.00 0.00 33.22 32.60 1x6a n MET 25 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1x6a n THR 26 N -3.80 -0.19 -0.86 3.17 5.66 -1.26 -4.74 114.28 112.26 1x6a n THR 26 Ca -0.32 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 1x6a n THR 26 Cb 0.71 -0.57 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 1x6a n THR 26 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x6a n GLY 27 N -0.58 2.65 3.72 1.09 0.00 -1.26 -5.16 105.19 105.65 1x6a n GLY 27 Ca -0.05 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 3.06 2.04 0.21 1.61 0.04 -1.26 -5.06 135.00 135.63 1x6a s PRO 28 Ca 0.00 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.65 1x6a s PRO 28 Cb 0.00 -1.83 -0.01 0.00 0.04 0.00 0.00 34.50 32.71 1x6a s PRO 28 CO 0.00 -1.90 0.37 -0.59 0.04 0.00 0.00 177.00 174.92 1x6a s PHE 29 N -2.08 0.41 0.06 0.56 -0.71 -1.26 -4.49 117.98 110.47 1x6a s PHE 29 Ca 0.73 -0.76 0.06 0.00 -1.04 0.00 0.00 56.93 55.92 1x6a s PHE 29 Cb -0.28 0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.54 1x6a s PHE 29 CO 0.47 -0.84 -0.16 -1.64 -1.34 0.00 0.00 175.22 171.70 1x6a s MET 30 N -4.00 0.99 -0.10 1.99 -1.94 -0.15 -4.83 119.30 111.25 1x6a s MET 30 Ca 0.21 -0.93 0.04 0.00 -1.71 0.00 0.00 55.69 53.29 1x6a s MET 30 Cb 0.02 -1.07 -0.00 0.00 2.01 0.00 0.00 34.83 35.79 1x6a s MET 30 CO 0.05 0.25 -0.23 0.08 -0.01 0.00 0.00 175.02 175.16 1x6a s VAL 31 N -1.05 2.12 -0.22 -6.03 1.01 -1.26 -1.40 120.40 113.57 1x6a s VAL 31 Ca 0.02 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.78 1x6a s VAL 31 Cb -0.09 -1.81 0.06 0.00 0.00 0.00 0.00 36.38 34.54 1x6a s VAL 31 CO 0.02 0.56 0.62 0.00 0.00 0.00 0.00 175.10 176.30 1x6a s ALA 32 N 0.36 -1.54 -2.16 5.51 0.00 -1.21 -4.92 121.76 117.79 1x6a s ALA 32 Ca -0.18 1.71 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1x6a s ALA 32 Cb -0.18 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.00 1x6a s ALA 32 CO 0.08 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1x6a n GLY 33 N 2.61 1.86 2.59 0.00 0.00 -1.26 -2.01 105.19 108.98 1x6a n GLY 33 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1x6a n GLY 33 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x6a n GLU 34 N -2.38 -0.12 -2.67 1.61 -0.58 -1.26 -5.03 120.64 110.22 1x6a n GLU 34 Ca -0.21 0.03 -0.16 0.00 -0.42 0.00 0.00 57.16 56.40 1x6a n GLU 34 Cb 0.67 -2.98 0.04 0.00 -0.57 0.00 0.00 31.44 28.61 1x6a n GLU 34 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1x6a n PHE 35 N -2.46 -2.19 -4.40 -0.32 3.72 -0.85 -5.14 117.46 105.81 1x6a n PHE 35 Ca 0.00 -1.68 -0.19 0.00 -0.05 0.00 0.00 57.45 55.52 1x6a n PHE 35 Cb 0.03 -0.42 -0.14 0.00 -0.94 0.00 0.00 39.48 38.00 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 -4.01 0.82 0.04 -1.08 1.02 -1.26 -3.35 119.74 111.91 1x6a s LYS 36 Ca 0.44 -0.42 -0.03 0.00 0.02 0.00 0.00 55.97 55.99 1x6a s LYS 36 Cb -0.03 -0.79 -0.03 0.00 -0.52 0.00 0.00 37.83 36.46 1x6a s LYS 36 CO 0.28 0.21 0.02 0.71 -0.92 0.00 0.00 175.35 175.65 1x6a s TYR 37 N -0.34 0.36 0.47 3.18 1.51 -0.49 -2.00 117.35 120.04 1x6a s TYR 37 Ca 0.03 -0.79 -0.22 0.00 -1.01 0.00 0.00 57.07 55.08 1x6a s TYR 37 Cb -0.05 -0.26 -0.07 0.00 -0.11 0.00 0.00 41.96 41.47 1x6a s TYR 37 CO -0.00 -0.35 1.13 -1.01 -1.11 0.00 0.00 175.55 174.21 1x6a s HIS 38 N -3.14 2.90 0.42 2.71 3.76 -1.26 -0.98 115.29 119.70 1x6a s HIS 38 Ca -0.00 1.56 0.11 0.00 -0.15 0.00 0.00 55.06 56.57 1x6a s HIS 38 Cb 0.02 -3.30 0.89 0.00 1.11 0.00 0.00 32.58 31.30 1x6a s HIS 38 CO -0.07 -1.34 1.98 -1.00 -0.85 0.00 0.00 174.74 173.46 1x6a h PRO 39 N 1.92 0.23 0.00 8.40 0.13 -1.88 -0.97 132.00 139.83 1x6a h PRO 39 Ca -0.49 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1x6a h PRO 39 Cb 1.24 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1x6a h PRO 39 CO 0.60 0.30 0.00 -0.85 -0.23 0.00 0.00 178.00 177.81 1x6a n GLU 40 N -4.36 0.03 0.00 0.86 0.28 -1.26 -1.48 120.64 114.71 1x6a n GLU 40 Ca -0.01 0.33 0.03 0.00 -0.16 0.00 0.00 57.16 57.35 1x6a n GLU 40 Cb 0.20 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.57 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 -0.92 2.96 0.19 0.00 5.36 -0.55 -4.96 117.98 120.06 1x6a s PHE 42 Ca 0.05 -1.07 -0.09 0.00 -0.96 0.00 0.00 56.93 54.86 1x6a s PHE 42 Cb 0.05 -4.26 -0.01 0.00 -0.34 0.00 0.00 43.02 38.45 1x6a s PHE 42 CO 0.14 -1.53 0.32 0.00 -1.46 0.00 0.00 175.22 172.69 1x6a s ALA 43 N 3.15 0.09 -0.18 11.12 0.00 -1.26 -0.54 121.76 134.14 1x6a s ALA 43 Ca 0.27 -0.99 -0.24 0.00 0.00 0.00 0.00 51.96 51.00 1x6a s ALA 43 Cb -0.11 1.00 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 1x6a s ALA 43 CO -0.01 -0.70 0.78 0.00 0.00 0.00 0.00 175.76 175.82 1x6a h MET 45 N 7.37 -0.90 0.00 0.00 2.86 -1.91 0.46 114.93 122.81 1x6a h MET 45 Ca -0.30 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1x6a h MET 45 Cb 1.13 0.21 0.00 0.00 0.06 0.00 0.00 31.60 33.00 1x6a h MET 45 CO 0.82 -0.58 0.25 1.03 1.06 0.00 0.00 176.91 179.50 1x6a h SER 46 N -1.04 0.00 0.00 1.22 0.87 -1.93 -2.93 113.55 109.75 1x6a h SER 46 Ca -0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1x6a h SER 46 Cb 0.74 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1x6a h SER 46 CO 0.16 0.00 -0.03 0.00 -0.53 0.00 0.00 176.83 176.43 1x6a n LYS 48 N -0.48 -1.80 -4.98 0.00 4.76 0.16 -5.00 118.16 110.81 1x6a n LYS 48 Ca 0.00 0.55 -0.27 0.00 -2.87 0.00 0.00 58.31 55.71 1x6a n LYS 48 Cb 0.00 -4.55 -0.16 0.00 -1.84 0.00 0.00 35.03 28.48 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 -3.49 1.61 0.33 -0.18 0.11 -1.22 -4.94 120.40 112.62 1x6a s VAL 49 Ca 0.42 -0.85 -0.28 0.00 -2.93 0.00 0.00 61.98 58.34 1x6a s VAL 49 Cb -0.13 -1.36 -0.10 0.00 -1.53 0.00 0.00 36.38 33.27 1x6a s VAL 49 CO 0.84 0.46 1.20 -0.63 -3.33 0.00 0.00 175.10 173.63 1x6a s ILE 50 N -0.27 3.08 -0.41 7.04 -1.09 -1.26 -1.35 121.20 126.94 1x6a s ILE 50 Ca 0.03 1.05 -0.13 0.00 -2.23 0.00 0.00 60.65 59.36 1x6a s ILE 50 Cb -0.10 -3.65 0.04 0.00 -1.58 0.00 0.00 42.46 37.17 1x6a s ILE 50 CO 0.01 0.22 0.28 -0.63 -1.23 0.00 0.00 174.94 173.58 1x6a s ILE 51 N -1.21 4.91 0.61 2.92 1.01 0.30 -4.90 121.20 124.83 1x6a s ILE 51 Ca 0.49 -0.87 -0.14 0.00 0.00 0.00 0.00 60.65 60.13 1x6a s ILE 51 Cb -0.35 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 1x6a s ILE 51 CO 0.45 -0.34 1.05 -1.61 0.00 0.00 0.00 174.94 174.49 1x6a s GLU 52 N 1.60 3.29 -0.46 2.79 0.41 -1.26 -4.87 118.70 120.20 1x6a s GLU 52 Ca 0.03 1.09 -0.28 0.00 -0.41 0.00 0.00 54.97 55.41 1x6a s GLU 52 Cb -0.20 -2.03 -0.01 0.00 -1.78 0.00 0.00 34.13 30.10 1x6a s GLU 52 CO 0.08 -0.82 1.71 0.34 -0.49 0.00 0.00 175.26 176.07 1x6a s ASP 53 N -3.14 5.79 0.00 -0.19 2.15 -1.26 -2.29 116.67 117.73 1x6a s ASP 53 Ca 0.61 0.79 0.00 0.00 0.43 0.00 0.00 52.55 54.38 1x6a s ASP 53 Cb -0.15 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.94 1x6a s ASP 53 CO 0.42 -1.88 0.00 0.61 -0.17 0.00 0.00 175.17 174.15 1x6a n GLY 54 N 5.44 1.09 3.87 2.66 0.00 -1.26 -5.14 105.19 111.85 1x6a n GLY 54 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1x6a n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x6a s ASP 55 N 0.00 6.58 0.41 1.61 -1.08 -0.97 -5.06 116.67 118.16 1x6a s ASP 55 Ca 0.00 1.17 -0.22 0.00 -0.52 0.00 0.00 52.55 52.97 1x6a s ASP 55 Cb 0.00 -2.33 -0.10 0.00 -1.46 0.00 0.00 42.92 39.02 1x6a s ASP 55 CO 0.00 -0.36 0.97 0.00 0.52 0.00 0.00 175.17 176.30 1x6a s ALA 56 N -2.28 3.06 0.19 3.66 0.00 -1.26 -4.93 121.76 120.19 1x6a s ALA 56 Ca 0.52 0.49 -0.04 0.00 0.00 0.00 0.00 51.96 52.93 1x6a s ALA 56 Cb -0.10 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1x6a s ALA 56 CO 0.28 0.04 0.19 1.52 0.00 0.00 0.00 175.76 177.80 1x6a s TYR 57 N -1.97 0.85 -0.05 0.00 -0.85 -1.26 -0.97 117.35 113.11 1x6a s TYR 57 Ca 0.59 -1.15 -0.04 0.00 -0.52 0.00 0.00 57.07 55.95 1x6a s TYR 57 Cb -0.14 -0.34 0.01 0.00 0.38 0.00 0.00 41.96 41.87 1x6a s TYR 57 CO 0.18 -0.68 0.13 0.00 -1.52 0.00 0.00 175.55 173.66 1x6a s ALA 58 N -4.08 -0.32 -0.27 9.51 0.00 0.02 -4.66 121.76 121.95 1x6a s ALA 58 Ca 0.30 0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.59 1x6a s ALA 58 Cb 0.05 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1x6a s ALA 58 CO 0.07 -0.06 -0.01 -1.17 0.00 0.00 0.00 175.76 174.59 1x6a s LEU 59 N 0.09 3.49 -0.46 0.00 2.96 -1.26 -0.87 118.68 122.62 1x6a s LEU 59 Ca -0.00 -0.88 -0.19 0.00 -0.22 0.00 0.00 54.13 52.84 1x6a s LEU 59 Cb -0.01 -1.74 0.04 0.00 0.50 0.00 0.00 46.19 44.98 1x6a s LEU 59 CO 0.00 -0.17 0.58 -0.69 -1.32 0.00 0.00 176.35 174.75 1x6a s VAL 60 N 1.37 4.92 -0.78 1.68 1.01 -0.01 -4.44 120.40 124.16 1x6a s VAL 60 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1x6a s VAL 60 Cb -0.17 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1x6a s VAL 60 CO -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 175.10 174.44 1x6a n GLN 61 N 6.04 -2.25 0.00 2.72 3.00 -1.26 -1.52 117.38 124.10 1x6a n GLN 61 Ca -0.05 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 1x6a n GLN 61 Cb 0.47 -4.95 0.00 0.00 0.00 0.00 0.00 30.24 25.76 1x6a n GLN 61 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1x6a n HIS 62 N -2.89 0.00 0.22 1.08 8.25 -1.26 -4.71 115.22 115.91 1x6a n HIS 62 Ca -0.10 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.47 1x6a n HIS 62 Cb 0.53 0.00 0.68 0.00 1.12 0.00 0.00 29.99 32.32 1x6a n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x6a h ALA 63 N 0.00 2.04 -2.63 -1.41 0.00 -1.87 -3.44 119.26 111.95 1x6a h ALA 63 Ca 0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1x6a h ALA 63 Cb 0.00 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.62 1x6a h ALA 63 CO 0.00 -0.12 -0.72 0.99 0.00 0.00 0.00 179.25 179.41 1x6a s THR 64 N -5.01 0.69 -0.05 0.00 2.01 -0.58 -5.02 115.64 107.68 1x6a s THR 64 Ca -0.05 -1.60 0.04 0.00 0.31 0.00 0.00 61.69 60.39 1x6a s THR 64 Cb 0.17 -1.27 -0.00 0.00 0.01 0.00 0.00 72.50 71.41 1x6a s THR 64 CO 0.67 -0.65 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.56 1x6a s LEU 65 N -2.45 1.88 0.13 4.42 2.96 -1.26 -0.83 118.68 123.53 1x6a s LEU 65 Ca 0.03 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 1x6a s LEU 65 Cb -0.01 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 1x6a s LEU 65 CO -0.02 0.13 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.78 1x6a s TYR 66 N 0.16 1.05 0.42 5.38 1.51 -0.05 -4.02 117.35 121.80 1x6a s TYR 66 Ca -0.06 -0.93 -0.01 0.00 -1.01 0.00 0.00 57.07 55.06 1x6a s TYR 66 Cb -0.12 -0.59 -0.02 0.00 -0.11 0.00 0.00 41.96 41.11 1x6a s TYR 66 CO 0.03 -0.14 0.66 0.00 -1.11 0.00 0.00 175.55 174.99 1x6a h GLY 68 N 0.48 0.44 0.86 0.00 0.00 -1.32 0.19 103.07 103.72 1x6a h GLY 68 Ca -0.48 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 46.86 1x6a h GLY 68 CO 0.60 -0.09 -0.42 0.50 0.00 0.00 0.00 176.54 177.13 1x6a h LYS 69 N 0.13 -1.02 -0.87 4.80 1.79 -1.95 0.89 116.57 120.35 1x6a h LYS 69 Ca 0.21 0.07 0.08 0.00 -2.18 0.00 0.00 60.65 58.83 1x6a h LYS 69 Cb 0.29 0.23 -0.07 0.00 -1.58 0.00 0.00 32.23 31.10 1x6a h LYS 69 CO -0.32 -0.68 0.52 0.00 -1.08 0.00 0.00 179.45 177.89 1x6a h HIS 71 N 0.91 0.53 -0.91 0.00 -0.00 -0.49 -3.07 115.15 112.10 1x6a h HIS 71 Ca 0.40 -0.24 0.15 0.00 -0.00 0.00 0.00 60.37 60.68 1x6a h HIS 71 Cb 0.29 -0.08 -0.07 0.00 -0.00 0.00 0.00 27.41 27.55 1x6a h HIS 71 CO -0.04 1.00 0.59 -0.91 -0.00 0.00 0.00 177.93 178.57 1x6a h ASN 72 N -0.10 0.69 0.05 3.26 2.35 -0.61 -1.57 115.58 119.65 1x6a h ASN 72 Ca -0.03 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1x6a h ASN 72 Cb 1.06 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.34 1x6a h ASN 72 CO 0.08 0.34 -0.03 -0.08 -1.65 0.00 0.00 177.43 176.10 1x6a h GLU 73 N 0.72 -0.07 0.00 0.81 4.57 -1.36 -0.34 114.58 118.92 1x6a h GLU 73 Ca 0.46 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.56 1x6a h GLU 73 Cb 0.72 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 1x6a h GLU 73 CO -0.22 0.10 -0.41 -0.39 -1.18 0.00 0.00 179.01 176.90 1x6a h VAL 74 N -0.23 1.14 0.00 0.32 -1.51 -1.25 -2.42 116.25 112.31 1x6a h VAL 74 Ca -0.01 -1.49 -0.06 0.00 -1.23 0.00 0.00 66.70 63.91 1x6a h VAL 74 Cb 0.20 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 1x6a h VAL 74 CO 0.01 0.40 -1.00 -0.37 -1.23 0.00 0.00 177.57 175.38 1x6a h VAL 75 N 0.00 0.24 0.18 7.19 -1.51 -1.23 -3.35 116.25 117.76 1x6a h VAL 75 Ca -0.00 -1.43 -0.32 0.00 -1.23 0.00 0.00 66.70 63.71 1x6a h VAL 75 Cb 0.81 1.80 0.01 0.00 -2.13 0.00 0.00 31.29 31.78 1x6a h VAL 75 CO 0.05 0.13 -1.51 -1.28 -1.23 0.00 0.00 177.57 173.74 1x6a h SER 76 N 0.00 0.58 -3.15 4.19 0.87 -1.02 -3.46 113.55 111.57 1x6a h SER 76 Ca -0.05 -0.72 -0.37 0.00 -1.23 0.00 0.00 61.79 59.42 1x6a h SER 76 Cb 1.23 -0.19 0.19 0.00 -0.44 0.00 0.00 62.40 63.19 1x6a h SER 76 CO 0.02 1.58 0.05 0.61 -0.53 0.00 0.00 176.83 178.56 1x6a n GLY 77 N 1.70 -3.02 3.57 5.77 0.00 -0.92 -4.86 105.19 107.42 1x6a n GLY 77 Ca -0.17 -1.45 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 1x6a n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6a s PRO 78 N -5.24 2.54 -0.00 1.61 0.04 -1.26 -4.92 135.00 127.77 1x6a s PRO 78 Ca 0.66 1.41 -0.13 0.00 0.04 0.00 0.00 61.00 62.98 1x6a s PRO 78 Cb -0.08 -4.46 0.02 0.00 0.04 0.00 0.00 34.50 30.02 1x6a s PRO 78 CO 0.51 -2.78 0.27 -1.12 0.04 0.00 0.00 177.00 173.92 1x6a s SER 79 N 10.00 -0.13 0.00 6.66 0.01 -1.26 -5.08 113.70 123.90 1x6a s SER 79 Ca 0.91 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 58.14 1x6a s SER 79 Cb -0.20 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1x6a s SER 79 CO 0.28 -0.46 0.00 -1.54 0.41 0.00 0.00 173.24 171.93 1x6a n SER 80 N 1.18 0.93 0.00 2.44 3.41 -1.26 -5.10 113.62 115.21 1x6a n SER 80 Ca -0.21 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 1x6a n SER 80 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1x6a n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49