#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 0.73 0.25 1.61 0.01 -1.26 -5.19 113.70 109.85 1x6a s SER 2 Ca 0.00 -1.44 -0.02 0.00 1.31 0.00 0.00 55.95 55.81 1x6a s SER 2 Cb 0.00 0.55 -0.03 0.00 0.21 0.00 0.00 66.02 66.75 1x6a s SER 2 CO 0.00 -1.09 0.27 -0.55 0.41 0.00 0.00 173.24 172.28 1x6a s SER 3 N -3.21 0.51 0.01 2.44 0.15 -1.26 -5.18 113.70 107.16 1x6a s SER 3 Ca 0.34 -1.39 -0.12 0.00 0.70 0.00 0.00 55.95 55.48 1x6a s SER 3 Cb 0.02 0.49 0.04 0.00 -1.71 0.00 0.00 66.02 64.87 1x6a s SER 3 CO 0.18 -1.01 0.57 0.61 1.20 0.00 0.00 173.24 174.79 1x6a n GLY 4 N -0.40 0.57 0.00 9.45 0.00 -1.26 -5.20 105.19 108.35 1x6a n GLY 4 Ca 0.02 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1x6a n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x6a n SER 5 N -0.67 0.00 -4.34 1.61 3.41 -1.26 -5.11 113.62 107.27 1x6a n SER 5 Ca 0.01 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.16 1x6a n SER 5 Cb 0.27 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.18 1x6a n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x6a s SER 6 N 0.00 6.35 0.00 4.04 0.15 -1.26 -4.94 113.70 118.04 1x6a s SER 6 Ca 0.00 -1.94 0.00 0.00 0.70 0.00 0.00 55.95 54.71 1x6a s SER 6 Cb 0.00 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1x6a s SER 6 CO 0.00 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.19 1x6a n GLY 7 N 4.95 -1.25 0.00 9.45 0.00 -1.26 -4.85 105.19 112.24 1x6a n GLY 7 Ca -0.04 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1x6a n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x6a n LYS 8 N -1.16 1.56 -4.17 1.61 4.01 -1.26 -5.08 118.16 113.66 1x6a n LYS 8 Ca 0.00 -0.13 -0.12 0.00 -0.51 0.00 0.00 58.31 57.55 1x6a n LYS 8 Cb 0.00 -0.52 -0.09 0.00 -0.51 0.00 0.00 35.03 33.91 1x6a n LYS 8 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 1x6a s ASP 9 N -0.26 0.12 0.30 4.39 1.47 -1.26 -5.19 116.67 116.24 1x6a s ASP 9 Ca 0.00 -1.33 -0.09 0.00 1.18 0.00 0.00 52.55 52.31 1x6a s ASP 9 Cb 0.00 0.40 0.03 0.00 -0.34 0.00 0.00 42.92 43.02 1x6a s ASP 9 CO 0.00 -0.87 0.55 0.00 0.68 0.00 0.00 175.17 175.53 1x6a n TYR 10 N -0.28 -1.83 -3.68 2.11 9.36 -1.26 -5.13 117.16 116.45 1x6a n TYR 10 Ca 0.01 -1.57 -0.27 0.00 3.32 0.00 0.00 57.90 59.40 1x6a n TYR 10 Cb 0.65 0.64 -0.17 0.00 -0.63 0.00 0.00 39.34 39.84 1x6a n TYR 10 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1x6a s TRP 11 N -3.60 0.63 0.59 2.98 0.52 -1.26 -5.14 118.94 113.67 1x6a s TRP 11 Ca 0.15 -0.57 -0.13 0.00 0.02 0.00 0.00 56.10 55.58 1x6a s TRP 11 Cb -0.03 -0.86 -0.05 0.00 -1.15 0.00 0.00 33.47 31.38 1x6a s TRP 11 CO 0.11 -0.54 1.02 0.20 0.02 0.00 0.00 176.95 177.76 1x6a s GLY 12 N 1.99 1.81 0.30 0.98 0.00 -1.26 -5.09 107.32 106.05 1x6a s GLY 12 Ca 0.01 0.04 0.01 0.00 0.00 0.00 0.00 44.72 44.78 1x6a s GLY 12 CO -0.08 0.32 0.31 0.54 0.00 0.00 0.00 173.10 174.18 1x6a s LYS 13 N -4.76 1.64 0.00 2.90 3.01 -1.26 -5.04 119.74 116.24 1x6a s LYS 13 Ca 0.57 -1.80 0.15 0.00 -1.01 0.00 0.00 55.97 53.88 1x6a s LYS 13 Cb -0.11 0.35 0.80 0.00 -1.01 0.00 0.00 37.83 37.86 1x6a s LYS 13 CO 0.46 -0.62 1.42 1.97 0.51 0.00 0.00 175.35 179.09 1x6a n PHE 14 N -0.50 0.00 -2.27 3.18 1.16 -1.26 -4.81 117.46 112.96 1x6a n PHE 14 Ca 0.04 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.40 1x6a n PHE 14 Cb 0.63 -0.25 0.13 0.00 -1.61 0.00 0.00 39.48 38.38 1x6a n PHE 14 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1x6a n GLY 15 N 0.02 -0.12 3.73 4.97 0.00 -1.26 -5.12 105.19 107.41 1x6a n GLY 15 Ca 0.08 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 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 -4.99 2.69 0.18 1.61 8.01 -1.26 -5.14 118.70 119.79 1x6a s GLU 16 Ca 0.59 -0.79 0.06 0.00 0.01 0.00 0.00 54.97 54.84 1x6a s GLU 16 Cb -0.03 -2.61 -0.05 0.00 -4.31 0.00 0.00 34.13 27.14 1x6a s GLU 16 CO 0.40 0.54 -0.12 -0.06 0.01 0.00 0.00 175.26 176.03 1x6a s PHE 17 N -1.39 1.49 -0.64 1.61 0.40 -1.26 -4.13 117.98 114.06 1x6a s PHE 17 Ca 0.28 -0.67 -0.27 0.00 -0.60 0.00 0.00 56.93 55.67 1x6a s PHE 17 Cb -0.12 -0.72 0.00 0.00 0.51 0.00 0.00 43.02 42.69 1x6a s PHE 17 CO 0.20 0.22 1.61 0.00 0.70 0.00 0.00 175.22 177.95 1x6a h HIS 19 N 12.77 0.54 0.16 0.00 -0.00 -1.84 0.14 115.15 126.93 1x6a h HIS 19 Ca -0.27 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.11 1x6a h HIS 19 Cb 1.12 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.37 1x6a h HIS 19 CO 1.07 0.07 -0.08 0.78 -0.00 0.00 0.00 177.93 179.77 1x6a h GLY 20 N 0.34 -0.23 0.07 2.45 0.00 -1.88 -3.33 103.07 100.49 1x6a h GLY 20 Ca 0.56 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.97 1x6a h GLY 20 CO -0.23 -0.08 -1.09 0.00 0.00 0.00 0.00 176.54 175.14 1x6a n SER 22 N -1.60 -5.87 -3.79 0.00 7.64 0.41 -5.04 113.62 105.37 1x6a n SER 22 Ca 0.03 -0.57 -0.13 0.00 1.01 0.00 0.00 58.87 59.21 1x6a n SER 22 Cb 0.36 -4.40 -0.11 0.00 -1.01 0.00 0.00 64.21 59.06 1x6a n SER 22 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x6a s LEU 23 N -4.93 1.00 0.93 -3.43 1.43 -1.25 -4.99 118.68 107.44 1x6a s LEU 23 Ca 0.37 0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 53.72 1x6a s LEU 23 Cb -0.05 0.98 0.15 0.00 0.03 0.00 0.00 46.19 47.30 1x6a s LEU 23 CO 0.61 -0.20 1.13 -0.22 0.23 0.00 0.00 176.35 177.90 1x6a s LEU 24 N -0.32 1.93 0.16 1.79 2.96 -1.26 -0.46 118.68 123.48 1x6a s LEU 24 Ca -0.04 1.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.91 1x6a s LEU 24 Cb -0.03 -3.31 -0.05 0.00 0.50 0.00 0.00 46.19 43.30 1x6a s LEU 24 CO 0.01 -2.67 -0.03 0.00 -1.32 0.00 0.00 176.35 172.34 1x6a s MET 25 N -5.21 1.07 -0.02 1.98 0.23 -1.26 -4.77 119.30 111.33 1x6a s MET 25 Ca 0.64 -1.49 0.03 0.00 -1.03 0.00 0.00 55.69 53.83 1x6a s MET 25 Cb -0.16 -0.36 0.04 0.00 -1.53 0.00 0.00 34.83 32.83 1x6a s MET 25 CO 0.54 -0.07 0.84 0.25 -2.03 0.00 0.00 175.02 174.55 1x6a n THR 26 N -0.21 0.54 -2.27 3.16 -2.24 -1.26 -4.99 114.28 107.01 1x6a n THR 26 Ca -0.08 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1x6a n THR 26 Cb 0.62 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.34 4.63 3.61 3.38 0.00 -1.26 -5.17 105.19 110.05 1x6a n GLY 27 Ca 0.02 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 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 1.42 0.16 0.19 1.61 0.04 -1.26 -5.08 135.00 132.08 1x6a s PRO 28 Ca 0.00 0.84 -0.07 0.00 0.04 0.00 0.00 61.00 61.82 1x6a s PRO 28 Cb 0.00 -1.68 -0.02 0.00 0.04 0.00 0.00 34.50 32.84 1x6a s PRO 28 CO 0.00 -3.00 0.26 -0.59 0.04 0.00 0.00 177.00 173.71 1x6a s PHE 29 N -2.72 0.67 -0.18 0.56 -0.12 -1.26 -4.71 117.98 110.22 1x6a s PHE 29 Ca 0.66 -0.99 -0.04 0.00 -0.05 0.00 0.00 56.93 56.51 1x6a s PHE 29 Cb -0.21 -0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 41.96 1x6a s PHE 29 CO 0.60 -0.74 -0.02 1.41 -0.05 0.00 0.00 175.22 176.42 1x6a s MET 30 N -4.05 3.63 -0.16 1.99 -2.45 -0.94 -4.95 119.30 112.38 1x6a s MET 30 Ca 0.26 -0.52 -0.03 0.00 -1.25 0.00 0.00 55.69 54.14 1x6a s MET 30 Cb 0.04 -3.00 -0.03 0.00 1.25 0.00 0.00 34.83 33.10 1x6a s MET 30 CO 0.06 0.11 -0.04 0.08 1.05 0.00 0.00 175.02 176.28 1x6a s VAL 31 N 0.72 3.80 -0.17 10.11 1.01 -1.26 -1.52 120.40 133.09 1x6a s VAL 31 Ca -0.01 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.36 1x6a s VAL 31 Cb -0.14 -2.67 0.06 0.00 0.00 0.00 0.00 36.38 33.63 1x6a s VAL 31 CO 0.02 0.49 0.59 0.00 0.00 0.00 0.00 175.10 176.20 1x6a s ALA 32 N 0.45 -1.48 -0.15 5.51 0.00 -0.57 -4.91 121.76 120.62 1x6a s ALA 32 Ca -0.04 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1x6a s ALA 32 Cb -0.14 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1x6a s ALA 32 CO 0.03 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1x6a n GLY 33 N 2.26 0.15 1.55 0.00 0.00 -1.26 -1.17 105.19 106.72 1x6a n GLY 33 Ca -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.65 0.00 -3.37 1.61 1.02 -1.26 -5.06 120.64 114.23 1x6a n GLU 34 Ca -0.01 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.92 1x6a n GLU 34 Cb 0.50 -1.52 -0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1x6a n GLU 34 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1x6a s PHE 35 N -2.81 2.40 0.00 -0.32 0.08 -0.32 -5.13 117.98 111.89 1x6a s PHE 35 Ca 0.00 -0.55 0.04 0.00 0.12 0.00 0.00 56.93 56.54 1x6a s PHE 35 Cb 0.00 -2.21 -0.01 0.00 -0.57 0.00 0.00 43.02 40.23 1x6a s PHE 35 CO 0.00 -0.41 -0.12 0.21 -0.10 0.00 0.00 175.22 174.80 1x6a s LYS 36 N -4.29 0.95 0.09 0.44 2.20 -1.26 -1.51 119.74 116.35 1x6a s LYS 36 Ca 0.51 -0.50 -0.06 0.00 -0.36 0.00 0.00 55.97 55.55 1x6a s LYS 36 Cb -0.05 -0.92 -0.01 0.00 -1.51 0.00 0.00 37.83 35.33 1x6a s LYS 36 CO 0.30 0.25 0.14 0.71 -0.36 0.00 0.00 175.35 176.39 1x6a s TYR 37 N -0.41 0.32 0.44 4.03 2.02 -0.57 -2.92 117.35 120.24 1x6a s TYR 37 Ca 0.04 -0.77 -0.23 0.00 -0.37 0.00 0.00 57.07 55.73 1x6a s TYR 37 Cb -0.05 -0.17 -0.08 0.00 -0.40 0.00 0.00 41.96 41.26 1x6a s TYR 37 CO -0.00 -0.53 1.13 -1.01 -1.57 0.00 0.00 175.55 173.57 1x6a s HIS 38 N -3.90 3.01 0.18 2.71 3.76 -1.26 -2.21 115.29 117.58 1x6a s HIS 38 Ca 0.08 1.57 -0.13 0.00 -0.15 0.00 0.00 55.06 56.43 1x6a s HIS 38 Cb 0.06 -3.30 0.08 0.00 1.11 0.00 0.00 32.58 30.53 1x6a s HIS 38 CO -0.08 -1.21 1.84 -1.00 -0.85 0.00 0.00 174.74 173.44 1x6a h PRO 39 N 2.23 0.75 0.00 8.40 0.13 -1.92 -1.08 132.00 140.51 1x6a h PRO 39 Ca -0.49 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1x6a h PRO 39 Cb 1.24 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1x6a h PRO 39 CO 0.61 0.50 0.00 -0.85 -0.23 0.00 0.00 178.00 178.03 1x6a n GLU 40 N -4.69 0.20 0.00 0.86 0.28 -1.26 -1.90 120.64 114.13 1x6a n GLU 40 Ca 0.04 0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 1x6a n GLU 40 Cb 0.02 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.39 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 -0.53 3.05 0.07 0.00 5.36 -0.66 -4.79 117.98 120.49 1x6a s PHE 42 Ca 0.00 -1.35 0.01 0.00 -0.96 0.00 0.00 56.93 54.63 1x6a s PHE 42 Cb 0.00 -4.34 -0.04 0.00 -0.34 0.00 0.00 43.02 38.30 1x6a s PHE 42 CO 0.00 -1.55 -0.05 0.00 -1.46 0.00 0.00 175.22 172.16 1x6a s ALA 43 N 2.96 0.71 0.05 11.12 0.00 -1.26 -0.43 121.76 134.90 1x6a s ALA 43 Ca 0.35 -1.18 -0.31 0.00 0.00 0.00 0.00 51.96 50.83 1x6a s ALA 43 Cb -0.04 0.18 -0.08 0.00 0.00 0.00 0.00 23.12 23.19 1x6a s ALA 43 CO -0.09 -0.25 1.60 0.00 0.00 0.00 0.00 175.76 177.02 1x6a h MET 45 N 8.27 -0.48 -0.17 0.00 4.05 -1.85 0.43 114.93 125.17 1x6a h MET 45 Ca -0.41 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.09 1x6a h MET 45 Cb 1.20 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 32.10 1x6a h MET 45 CO 0.92 -0.32 0.14 1.03 0.23 0.00 0.00 176.91 178.91 1x6a h SER 46 N -0.50 0.00 0.00 1.39 0.87 -1.91 -3.21 113.55 110.18 1x6a h SER 46 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1x6a h SER 46 Cb 0.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1x6a h SER 46 CO -0.33 0.00 -0.07 0.00 -0.53 0.00 0.00 176.83 175.90 1x6a n LYS 48 N -1.01 -0.19 -2.04 0.00 4.76 0.15 -4.98 118.16 114.84 1x6a n LYS 48 Ca 0.00 0.05 -0.41 0.00 -2.87 0.00 0.00 58.31 55.07 1x6a n LYS 48 Cb 0.00 -3.87 -0.02 0.00 -1.84 0.00 0.00 35.03 29.30 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 -1.96 2.74 0.65 -0.18 0.11 -1.26 -4.64 120.40 115.86 1x6a s VAL 49 Ca 0.00 0.62 -0.16 0.00 -2.93 0.00 0.00 61.98 59.51 1x6a s VAL 49 Cb 0.00 -3.40 -0.01 0.00 -1.53 0.00 0.00 36.38 31.44 1x6a s VAL 49 CO 0.00 0.10 1.15 -0.63 -3.33 0.00 0.00 175.10 172.38 1x6a s ILE 50 N 0.00 2.95 -0.23 7.04 -1.09 -1.26 -1.23 121.20 127.38 1x6a s ILE 50 Ca 0.59 0.49 -0.00 0.00 -2.23 0.00 0.00 60.65 59.49 1x6a s ILE 50 Cb -0.41 -3.06 0.06 0.00 -1.58 0.00 0.00 42.46 37.47 1x6a s ILE 50 CO 0.43 -0.23 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.26 1x6a s ILE 51 N -2.07 1.20 0.69 2.92 1.01 0.42 -4.84 121.20 120.53 1x6a s ILE 51 Ca 0.71 -1.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 1x6a s ILE 51 Cb -0.24 -1.57 0.04 0.00 0.01 0.00 0.00 42.46 40.71 1x6a s ILE 51 CO 0.39 -0.17 1.03 -1.61 0.00 0.00 0.00 174.94 174.57 1x6a s GLU 52 N 1.54 2.44 0.00 2.79 2.02 -1.26 -4.73 118.70 121.50 1x6a s GLU 52 Ca -0.03 -0.02 0.09 0.00 0.02 0.00 0.00 54.97 55.02 1x6a s GLU 52 Cb -0.18 -2.14 0.55 0.00 0.10 0.00 0.00 34.13 32.47 1x6a s GLU 52 CO -0.08 -1.13 1.02 -0.40 0.02 0.00 0.00 175.26 174.69 1x6a n ASP 53 N -2.91 0.00 -0.00 -0.19 5.68 -1.26 -1.37 116.55 116.49 1x6a n ASP 53 Ca 0.07 -0.26 0.08 0.00 -0.50 0.00 0.00 54.79 54.18 1x6a n ASP 53 Cb 0.59 -0.02 -0.10 0.00 -1.14 0.00 0.00 41.12 40.45 1x6a n ASP 53 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x6a n GLY 54 N -0.42 -0.68 0.00 6.12 0.00 -1.26 -4.97 105.19 103.98 1x6a n GLY 54 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1x6a n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x6a n ASP 55 N -1.42 0.00 -3.69 1.61 8.00 -0.47 -5.10 116.55 115.48 1x6a n ASP 55 Ca 0.03 -0.51 -0.24 0.00 0.71 0.00 0.00 54.79 54.78 1x6a n ASP 55 Cb 0.28 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.21 1x6a n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x6a s ALA 56 N -3.63 0.54 0.42 2.24 0.00 -1.26 -4.98 121.76 115.09 1x6a s ALA 56 Ca 0.00 -0.20 0.08 0.00 0.00 0.00 0.00 51.96 51.84 1x6a s ALA 56 Cb 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1x6a s ALA 56 CO 0.00 -0.81 0.33 1.52 0.00 0.00 0.00 175.76 176.80 1x6a s TYR 57 N 2.06 2.65 -0.20 0.00 1.13 -1.26 -3.30 117.35 118.43 1x6a s TYR 57 Ca 0.03 -0.53 -0.12 0.00 -1.41 0.00 0.00 57.07 55.04 1x6a s TYR 57 Cb -0.14 -2.11 0.06 0.00 -1.10 0.00 0.00 41.96 38.67 1x6a s TYR 57 CO -0.06 -0.06 0.49 0.00 -2.51 0.00 0.00 175.55 173.41 1x6a s ALA 58 N -2.51 -1.27 0.13 9.51 0.00 -1.08 -4.73 121.76 121.79 1x6a s ALA 58 Ca 0.46 1.72 0.09 0.00 0.00 0.00 0.00 51.96 54.22 1x6a s ALA 58 Cb -0.01 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1x6a s ALA 58 CO 0.26 -0.29 -0.21 -0.48 0.00 0.00 0.00 175.76 175.04 1x6a s LEU 59 N 1.25 2.35 0.32 0.00 2.34 -1.26 -0.93 118.68 122.74 1x6a s LEU 59 Ca -0.08 -0.75 -0.02 0.00 0.06 0.00 0.00 54.13 53.34 1x6a s LEU 59 Cb -0.07 -0.94 -0.04 0.00 -0.56 0.00 0.00 46.19 44.58 1x6a s LEU 59 CO -0.12 0.06 0.55 -0.69 -1.06 0.00 0.00 176.35 175.09 1x6a s VAL 60 N -1.40 5.08 0.62 1.48 1.01 -1.16 -4.97 120.40 121.06 1x6a s VAL 60 Ca 0.11 -0.24 0.26 0.00 0.00 0.00 0.00 61.98 62.10 1x6a s VAL 60 Cb -0.09 -3.81 0.32 0.00 0.00 0.00 0.00 36.38 32.80 1x6a s VAL 60 CO 0.05 -0.46 1.71 1.56 0.00 0.00 0.00 175.10 177.97 1x6a h GLN 61 N 1.15 0.00 0.00 2.72 4.20 -2.01 -3.41 115.11 117.76 1x6a h GLN 61 Ca -0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.22 1x6a h GLN 61 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1x6a h GLN 61 CO 0.64 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 179.52 1x6a n HIS 62 N -3.25 -1.80 -1.83 2.96 8.25 -1.26 -4.94 115.22 113.35 1x6a n HIS 62 Ca 0.06 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.14 1x6a n HIS 62 Cb 0.75 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.90 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 -3.00 6.41 -2.88 -1.41 0.00 -1.26 -4.94 120.51 113.43 1x6a n ALA 63 Ca 0.00 -4.00 -0.14 0.00 0.00 0.00 0.00 53.44 49.30 1x6a n ALA 63 Cb 0.00 -1.87 -0.14 0.00 0.00 0.00 0.00 19.45 17.44 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 -5.05 0.22 -0.01 0.00 2.01 -1.26 -5.13 115.64 106.42 1x6a s THR 64 Ca 0.54 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.45 1x6a s THR 64 Cb 0.45 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.72 1x6a s THR 64 CO -0.32 0.07 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.43 1x6a s LEU 65 N 0.02 3.35 0.25 4.42 2.96 -1.26 -3.00 118.68 125.42 1x6a s LEU 65 Ca 0.00 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1x6a s LEU 65 Cb -0.02 -1.89 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 1x6a s LEU 65 CO -0.00 0.30 0.07 -0.31 -1.32 0.00 0.00 176.35 175.09 1x6a s TYR 66 N -1.01 1.53 -0.01 5.38 2.02 -0.11 -2.56 117.35 122.60 1x6a s TYR 66 Ca 0.17 -1.12 -0.14 0.00 -0.37 0.00 0.00 57.07 55.61 1x6a s TYR 66 Cb -0.11 -0.90 -0.06 0.00 -0.40 0.00 0.00 41.96 40.49 1x6a s TYR 66 CO 0.08 -0.27 0.40 0.00 -1.57 0.00 0.00 175.55 174.18 1x6a h GLY 68 N 4.73 0.90 0.95 0.00 0.00 -1.84 0.32 103.07 108.14 1x6a h GLY 68 Ca -0.52 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 46.56 1x6a h GLY 68 CO 0.61 0.09 -0.22 0.50 0.00 0.00 0.00 176.54 177.52 1x6a h LYS 69 N 0.54 -0.60 -0.11 4.80 1.79 -1.95 -2.70 116.57 118.34 1x6a h LYS 69 Ca 0.39 0.04 -0.16 0.00 -2.18 0.00 0.00 60.65 58.74 1x6a h LYS 69 Cb 0.75 0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 1x6a h LYS 69 CO -0.15 -0.37 -0.60 0.00 -1.08 0.00 0.00 179.45 177.25 1x6a h HIS 71 N 0.29 0.79 0.00 0.00 -0.00 -0.93 -0.55 115.15 114.74 1x6a h HIS 71 Ca -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1x6a h HIS 71 Cb 1.13 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 28.30 1x6a h HIS 71 CO 0.03 0.59 0.00 -1.71 -0.00 0.00 0.00 177.93 176.85 1x6a n ASN 72 N -4.35 0.21 -0.05 3.26 5.15 -1.02 -1.11 115.26 117.35 1x6a n ASN 72 Ca 0.05 0.58 0.01 0.00 -0.60 0.00 0.00 54.58 54.62 1x6a n ASN 72 Cb 0.14 -0.61 -0.16 0.00 -0.53 0.00 0.00 39.78 38.61 1x6a n ASN 72 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1x6a n GLU 73 N -1.76 0.69 0.05 1.20 4.07 -0.26 -4.38 120.64 120.26 1x6a n GLU 73 Ca 0.01 -0.11 0.07 0.00 -0.06 0.00 0.00 57.16 57.07 1x6a n GLU 73 Cb 0.08 -1.51 0.32 0.00 -0.06 0.00 0.00 31.44 30.27 1x6a n GLU 73 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 1x6a n VAL 74 N -2.47 1.18 0.40 6.31 3.14 -0.27 -1.75 118.33 124.87 1x6a n VAL 74 Ca -0.17 0.36 0.13 0.00 -2.96 0.00 0.00 64.34 61.70 1x6a n VAL 74 Cb 0.82 -1.23 0.50 0.00 -1.06 0.00 0.00 33.84 32.87 1x6a n VAL 74 CO 0.00 0.00 0.00 -0.37 -6.46 0.00 0.00 176.83 170.00 1x6a h VAL 75 N 0.00 0.00 -3.65 1.55 -1.51 -1.76 -3.39 116.25 107.48 1x6a h VAL 75 Ca 0.00 -0.39 -0.65 0.00 -1.23 0.00 0.00 66.70 64.43 1x6a h VAL 75 Cb 0.20 1.25 -0.40 0.00 -2.13 0.00 0.00 31.29 30.21 1x6a h VAL 75 CO 0.00 0.00 -0.74 -0.55 -1.23 0.00 0.00 177.57 175.05 1x6a s SER 76 N -4.77 4.60 0.00 4.19 0.15 -0.72 -5.05 113.70 112.11 1x6a s SER 76 Ca 0.05 -1.96 0.00 0.00 0.70 0.00 0.00 55.95 54.74 1x6a s SER 76 Cb 0.09 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 1x6a s SER 76 CO 0.48 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1x6a n GLY 77 N 4.36 -0.50 0.08 9.45 0.00 -1.26 -4.77 105.19 112.55 1x6a n GLY 77 Ca 0.00 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 1x6a n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6a h PRO 78 N 0.00 -0.07 -6.28 1.61 0.13 -1.94 -3.45 132.00 122.00 1x6a h PRO 78 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.73 1x6a h PRO 78 Cb 0.00 0.02 -0.22 0.00 0.13 0.00 0.00 31.00 30.92 1x6a h PRO 78 CO 0.00 0.54 -0.58 0.45 -0.23 0.00 0.00 178.00 178.17 1x6a n SER 79 N -4.80 -1.93 -3.32 1.44 2.88 -1.26 -4.89 113.62 101.74 1x6a n SER 79 Ca -0.08 -0.59 -0.18 0.00 -1.33 0.00 0.00 58.87 56.68 1x6a n SER 79 Cb 0.32 -1.69 -0.07 0.00 -0.75 0.00 0.00 64.21 62.02 1x6a n SER 79 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x6a s SER 80 N -2.80 1.42 0.00 -3.46 0.01 -1.26 -4.96 113.70 102.65 1x6a s SER 80 Ca 0.52 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 56.11 1x6a s SER 80 Cb -0.30 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1x6a s SER 80 CO 0.64 -1.14 0.00 0.61 0.41 0.00 0.00 173.24 173.76