#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 4.63 0.03 1.61 0.01 -1.26 -5.00 113.70 113.71 1x6a s SER 2 Ca 0.00 2.00 -0.28 0.00 1.31 0.00 0.00 55.95 58.99 1x6a s SER 2 Cb 0.00 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1x6a s SER 2 CO 0.00 -1.96 0.87 -0.94 0.41 0.00 0.00 173.24 171.62 1x6a s SER 3 N -2.78 7.30 0.07 2.44 1.04 -1.26 -4.84 113.70 115.66 1x6a s SER 3 Ca 0.66 1.56 0.00 0.00 0.48 0.00 0.00 55.95 58.65 1x6a s SER 3 Cb -0.21 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1x6a s SER 3 CO 0.48 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.20 1x6a n GLY 4 N 2.63 -3.21 1.32 7.32 0.00 -1.26 -4.69 105.19 107.31 1x6a n GLY 4 Ca 0.02 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.97 2.34 -0.70 1.61 3.41 -1.26 -4.69 113.62 113.36 1x6a n SER 5 Ca 0.00 -1.45 -0.09 0.00 -0.26 0.00 0.00 58.87 57.07 1x6a n SER 5 Cb 0.00 -0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 63.46 1x6a n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1x6a n SER 6 N 1.17 -5.72 0.00 4.04 7.64 -1.26 -4.67 113.62 114.81 1x6a n SER 6 Ca 0.00 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1x6a n SER 6 Cb 0.29 -4.06 0.00 0.00 -1.01 0.00 0.00 64.21 59.43 1x6a n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6a n GLY 7 N 0.39 1.35 0.09 0.23 0.00 -1.26 -4.95 105.19 101.03 1x6a n GLY 7 Ca -0.09 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 1x6a n GLY 7 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1x6a h LYS 8 N 0.00 0.07 -5.84 1.61 1.63 -2.01 -3.47 116.57 108.56 1x6a h LYS 8 Ca 0.00 -0.12 -0.60 0.00 -0.85 0.00 0.00 60.65 59.09 1x6a h LYS 8 Cb 0.00 0.04 -0.11 0.00 -0.60 0.00 0.00 32.23 31.56 1x6a h LYS 8 CO 0.00 0.73 -0.57 0.16 -3.45 0.00 0.00 179.45 176.32 1x6a s ASP 9 N -6.41 4.12 0.00 4.20 -4.77 -1.26 -5.08 116.67 107.48 1x6a s ASP 9 Ca -0.07 -1.17 0.00 0.00 -3.30 0.00 0.00 52.55 48.01 1x6a s ASP 9 Cb 0.08 -0.45 0.00 0.00 -1.09 0.00 0.00 42.92 41.45 1x6a s ASP 9 CO 0.82 -0.42 0.00 -1.22 0.70 0.00 0.00 175.17 175.05 1x6a n TYR 10 N -1.05 0.00 1.80 2.11 4.01 -1.26 -4.80 117.16 117.97 1x6a n TYR 10 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1x6a n TYR 10 Cb 0.65 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.69 1x6a n TYR 10 CO 0.00 0.00 0.00 -2.67 -0.46 0.00 0.00 176.86 173.73 1x6a n TRP 11 N -0.83 0.02 0.68 -0.72 4.27 -1.26 -4.51 117.44 115.10 1x6a n TRP 11 Ca 0.00 -0.01 0.08 0.00 -3.89 0.00 0.00 57.50 53.68 1x6a n TRP 11 Cb 0.01 -0.02 0.39 0.00 -1.36 0.00 0.00 31.31 30.34 1x6a n TRP 11 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1x6a n GLY 12 N 0.44 -0.98 3.39 -1.67 0.00 -1.26 -4.83 105.19 100.28 1x6a n GLY 12 Ca 0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.81 0.46 -1.12 1.61 2.47 -1.26 -5.08 119.74 114.01 1x6a s LYS 13 Ca 0.12 1.00 -0.12 0.00 -1.56 0.00 0.00 55.97 55.41 1x6a s LYS 13 Cb 0.11 0.17 0.23 0.00 -1.46 0.00 0.00 37.83 36.88 1x6a s LYS 13 CO 0.29 -0.18 1.21 -0.06 0.16 0.00 0.00 175.35 176.77 1x6a s PHE 14 N 1.86 3.90 0.31 4.03 0.08 -1.26 -4.96 117.98 121.94 1x6a s PHE 14 Ca -0.08 -2.38 0.06 0.00 0.12 0.00 0.00 56.93 54.65 1x6a s PHE 14 Cb -0.09 -4.04 -0.02 0.00 -0.57 0.00 0.00 43.02 38.30 1x6a s PHE 14 CO -0.15 -1.15 0.29 0.41 -0.10 0.00 0.00 175.22 174.53 1x6a n GLY 15 N 3.45 2.86 3.47 4.36 0.00 -1.26 -5.13 105.19 112.94 1x6a n GLY 15 Ca 0.28 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.16 3.11 0.14 1.61 2.02 -1.26 -5.06 118.70 116.10 1x6a s GLU 16 Ca 0.35 -0.78 0.11 0.00 0.02 0.00 0.00 54.97 54.67 1x6a s GLU 16 Cb 0.01 -4.00 -0.04 0.00 0.10 0.00 0.00 34.13 30.20 1x6a s GLU 16 CO 0.25 -0.95 -0.24 -0.06 0.02 0.00 0.00 175.26 174.28 1x6a s PHE 17 N 2.27 2.37 -0.41 1.61 0.40 -1.26 -3.59 117.98 119.36 1x6a s PHE 17 Ca 0.13 -0.35 -0.29 0.00 -0.60 0.00 0.00 56.93 55.83 1x6a s PHE 17 Cb -0.18 -1.26 0.01 0.00 0.51 0.00 0.00 43.02 42.11 1x6a s PHE 17 CO 0.13 0.38 1.38 0.00 0.70 0.00 0.00 175.22 177.82 1x6a h HIS 19 N 10.51 0.22 -0.67 0.00 2.76 -1.86 0.24 115.15 126.34 1x6a h HIS 19 Ca -0.27 0.05 0.14 0.00 -2.20 0.00 0.00 60.37 58.09 1x6a h HIS 19 Cb 1.10 0.03 -0.11 0.00 1.55 0.00 0.00 27.41 29.99 1x6a h HIS 19 CO 0.97 -0.19 0.07 0.78 -1.30 0.00 0.00 177.93 178.26 1x6a h GLY 20 N 0.20 0.81 0.00 5.26 0.00 -1.90 -2.87 103.07 104.56 1x6a h GLY 20 Ca 0.48 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1x6a h GLY 20 CO -0.62 -0.21 -1.55 0.00 0.00 0.00 0.00 176.54 174.16 1x6a n SER 22 N -1.92 -2.97 -4.76 0.00 2.88 0.67 -5.02 113.62 102.49 1x6a n SER 22 Ca -0.01 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.23 1x6a n SER 22 Cb 0.45 -1.01 -0.07 0.00 -0.75 0.00 0.00 64.21 62.83 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 3.75 1.01 2.46 1.43 -1.25 -4.83 118.68 121.24 1x6a s LEU 23 Ca 0.00 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 1x6a s LEU 23 Cb 0.00 -2.43 0.19 0.00 0.03 0.00 0.00 46.19 43.99 1x6a s LEU 23 CO 0.00 0.16 1.09 -0.22 0.23 0.00 0.00 176.35 177.61 1x6a s LEU 24 N -2.47 1.60 0.13 1.79 2.96 -1.26 -0.82 118.68 120.62 1x6a s LEU 24 Ca 0.29 1.28 -0.04 0.00 -0.22 0.00 0.00 54.13 55.44 1x6a s LEU 24 Cb -0.12 -3.46 -0.03 0.00 0.50 0.00 0.00 46.19 43.08 1x6a s LEU 24 CO 0.22 -3.21 0.13 0.00 -1.32 0.00 0.00 176.35 172.16 1x6a s MET 25 N -4.89 0.96 0.00 1.98 0.23 -1.24 -4.78 119.30 111.56 1x6a s MET 25 Ca 0.65 -1.30 0.00 0.00 -1.03 0.00 0.00 55.69 54.01 1x6a s MET 25 Cb -0.19 0.29 0.00 0.00 -1.53 0.00 0.00 34.83 33.39 1x6a s MET 25 CO 0.58 -0.30 0.00 0.25 -2.03 0.00 0.00 175.02 173.53 1x6a n THR 26 N -0.11 0.02 0.00 3.16 -2.24 -1.26 -4.95 114.28 108.90 1x6a n THR 26 Ca -0.08 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1x6a n THR 26 Cb 0.63 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.64 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 2.58 -1.05 3.66 3.38 0.00 -1.26 -5.04 105.19 107.46 1x6a n GLY 27 Ca 0.00 -1.48 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 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 0.00 0.32 0.27 1.61 0.04 -1.26 -5.09 135.00 130.88 1x6a s PRO 28 Ca 0.00 0.57 -0.06 0.00 0.04 0.00 0.00 61.00 61.55 1x6a s PRO 28 Cb 0.00 -1.72 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 1x6a s PRO 28 CO 0.00 -2.82 0.39 -0.59 0.04 0.00 0.00 177.00 174.02 1x6a s PHE 29 N -2.91 0.80 0.08 0.56 -0.12 -1.26 -4.55 117.98 110.58 1x6a s PHE 29 Ca 0.66 -1.07 0.09 0.00 -0.05 0.00 0.00 56.93 56.55 1x6a s PHE 29 Cb -0.19 -0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.07 1x6a s PHE 29 CO 0.58 -0.95 -0.23 1.41 -0.05 0.00 0.00 175.22 175.99 1x6a s MET 30 N -3.76 1.76 -0.01 1.99 1.75 -0.56 -4.91 119.30 115.56 1x6a s MET 30 Ca 0.29 -1.16 0.02 0.00 -1.25 0.00 0.00 55.69 53.60 1x6a s MET 30 Cb 0.01 -2.04 -0.00 0.00 2.84 0.00 0.00 34.83 35.64 1x6a s MET 30 CO 0.13 0.50 -0.08 0.08 -0.65 0.00 0.00 175.02 175.00 1x6a s VAL 31 N -0.97 0.63 -0.20 10.11 1.01 -1.26 -1.48 120.40 128.23 1x6a s VAL 31 Ca 0.14 -0.32 -0.27 0.00 0.00 0.00 0.00 61.98 61.53 1x6a s VAL 31 Cb -0.10 -0.55 0.09 0.00 0.00 0.00 0.00 36.38 35.82 1x6a s VAL 31 CO 0.06 0.19 0.82 0.00 0.00 0.00 0.00 175.10 176.16 1x6a s ALA 32 N -0.03 -1.84 -1.44 5.51 0.00 -1.25 -4.95 121.76 117.76 1x6a s ALA 32 Ca 0.01 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1x6a s ALA 32 Cb -0.05 -0.89 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1x6a s ALA 32 CO -0.00 -0.32 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1x6a n GLY 33 N 1.89 0.40 2.59 0.00 0.00 -1.26 -1.22 105.19 107.60 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 -2.47 -0.27 -2.37 1.61 -0.58 -1.26 -5.04 120.64 110.26 1x6a n GLU 34 Ca -0.17 0.07 -0.25 0.00 -0.42 0.00 0.00 57.16 56.39 1x6a n GLU 34 Cb 0.57 -3.24 0.10 0.00 -0.57 0.00 0.00 31.44 28.30 1x6a n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1x6a s PHE 35 N -2.38 2.18 -0.06 -0.32 0.08 -0.35 -5.12 117.98 112.01 1x6a s PHE 35 Ca 0.00 0.08 -0.01 0.00 0.12 0.00 0.00 56.93 57.12 1x6a s PHE 35 Cb 0.00 -3.21 0.03 0.00 -0.57 0.00 0.00 43.02 39.27 1x6a s PHE 35 CO 0.00 -1.66 -0.01 0.21 -0.10 0.00 0.00 175.22 173.67 1x6a s LYS 36 N -5.24 0.61 0.05 0.44 2.47 -1.26 -3.76 119.74 113.04 1x6a s LYS 36 Ca 0.64 0.07 -0.00 0.00 -1.56 0.00 0.00 55.97 55.12 1x6a s LYS 36 Cb -0.07 -0.89 -0.03 0.00 -1.46 0.00 0.00 37.83 35.37 1x6a s LYS 36 CO 0.45 -0.25 -0.04 0.71 0.16 0.00 0.00 175.35 176.38 1x6a s TYR 37 N 1.68 0.51 0.64 4.03 2.02 -0.55 -3.13 117.35 122.56 1x6a s TYR 37 Ca 0.01 -0.84 -0.15 0.00 -0.37 0.00 0.00 57.07 55.72 1x6a s TYR 37 Cb -0.13 -0.35 -0.01 0.00 -0.40 0.00 0.00 41.96 41.07 1x6a s TYR 37 CO -0.04 -0.26 1.09 -1.01 -1.57 0.00 0.00 175.55 173.76 1x6a s HIS 38 N -2.93 2.75 -0.32 2.71 3.76 -1.26 -1.49 115.29 118.51 1x6a s HIS 38 Ca -0.01 1.53 0.26 0.00 -0.15 0.00 0.00 55.06 56.70 1x6a s HIS 38 Cb 0.01 -3.11 1.11 0.00 1.11 0.00 0.00 32.58 31.70 1x6a s HIS 38 CO -0.06 -1.50 1.78 -1.00 -0.85 0.00 0.00 174.74 173.11 1x6a h PRO 39 N 0.11 0.00 -0.63 8.40 0.13 -1.91 -1.93 132.00 136.17 1x6a h PRO 39 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1x6a h PRO 39 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x6a h PRO 39 CO 0.55 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.71 1x6a n GLU 40 N -2.42 2.59 0.00 0.86 -0.58 -1.26 -4.41 120.64 115.42 1x6a n GLU 40 Ca 0.01 -2.46 0.00 0.00 -0.42 0.00 0.00 57.16 54.29 1x6a n GLU 40 Cb 0.22 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1x6a n GLU 40 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x6a s PHE 42 N -0.61 1.90 0.20 0.00 5.36 -0.89 -4.94 117.98 119.01 1x6a s PHE 42 Ca 0.00 0.45 -0.08 0.00 -0.96 0.00 0.00 56.93 56.35 1x6a s PHE 42 Cb 0.00 -4.30 -0.02 0.00 -0.34 0.00 0.00 43.02 38.36 1x6a s PHE 42 CO 0.00 -2.21 0.30 0.00 -1.46 0.00 0.00 175.22 171.84 1x6a s ALA 43 N 7.79 0.29 0.03 11.12 0.00 -1.26 -1.61 121.76 138.11 1x6a s ALA 43 Ca 0.55 -1.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 1x6a s ALA 43 Cb -0.11 1.08 -0.07 0.00 0.00 0.00 0.00 23.12 24.02 1x6a s ALA 43 CO 0.18 -0.69 1.64 0.00 0.00 0.00 0.00 175.76 176.89 1x6a h MET 45 N 8.69 0.56 0.00 0.00 2.86 -1.43 0.39 114.93 126.00 1x6a h MET 45 Ca -0.42 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.11 1x6a h MET 45 Cb 1.19 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 1x6a h MET 45 CO 0.93 0.41 -0.33 1.03 1.06 0.00 0.00 176.91 180.01 1x6a h SER 46 N 0.57 0.00 0.00 1.22 0.87 -1.91 -3.36 113.55 110.94 1x6a h SER 46 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1x6a h SER 46 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1x6a h SER 46 CO -0.03 0.33 -0.11 0.00 -0.53 0.00 0.00 176.83 176.50 1x6a n LYS 48 N -0.83 -0.57 -2.59 0.00 4.01 0.13 -4.96 118.16 113.35 1x6a n LYS 48 Ca 0.00 0.14 -0.41 0.00 -0.51 0.00 0.00 58.31 57.54 1x6a n LYS 48 Cb 0.00 -4.06 -0.04 0.00 -0.51 0.00 0.00 35.03 30.42 1x6a n LYS 48 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1x6a s VAL 49 N -1.71 3.96 0.58 -0.18 0.11 -1.26 -4.69 120.40 117.22 1x6a s VAL 49 Ca 0.00 1.76 -0.20 0.00 -2.93 0.00 0.00 61.98 60.61 1x6a s VAL 49 Cb 0.00 -4.12 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 1x6a s VAL 49 CO 0.00 0.33 1.34 -0.38 -3.33 0.00 0.00 175.10 173.07 1x6a n ILE 50 N 2.13 4.24 -3.63 7.04 2.08 -1.26 -1.78 119.36 128.18 1x6a n ILE 50 Ca 0.01 -0.50 -0.39 0.00 0.56 0.00 0.00 62.75 62.43 1x6a n ILE 50 Cb 0.47 -1.61 -0.09 0.00 -0.75 0.00 0.00 39.64 37.65 1x6a n ILE 50 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1x6a s ILE 51 N -1.32 3.96 0.84 1.39 1.01 -0.63 -4.85 121.20 121.60 1x6a s ILE 51 Ca 0.76 -2.19 -0.11 0.00 0.00 0.00 0.00 60.65 59.11 1x6a s ILE 51 Cb -0.40 -3.61 0.10 0.00 0.01 0.00 0.00 42.46 38.55 1x6a s ILE 51 CO 0.46 -0.80 1.11 -1.61 0.00 0.00 0.00 174.94 174.10 1x6a s GLU 52 N 0.88 1.68 -0.43 2.79 0.41 -1.26 -4.91 118.70 117.85 1x6a s GLU 52 Ca 0.10 1.23 -0.28 0.00 -0.41 0.00 0.00 54.97 55.62 1x6a s GLU 52 Cb -0.23 -1.83 -0.02 0.00 -1.78 0.00 0.00 34.13 30.28 1x6a s GLU 52 CO -0.03 -2.07 1.84 0.34 -0.49 0.00 0.00 175.26 174.85 1x6a s ASP 53 N -3.16 5.63 0.00 -0.19 2.15 -1.26 -1.56 116.67 118.28 1x6a s ASP 53 Ca 0.63 0.97 0.00 0.00 0.43 0.00 0.00 52.55 54.58 1x6a s ASP 53 Cb -0.19 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1x6a s ASP 53 CO 0.57 -1.98 0.00 0.61 -0.17 0.00 0.00 175.17 174.20 1x6a n GLY 54 N 5.53 1.59 1.75 2.66 0.00 -1.26 -5.13 105.19 110.33 1x6a n GLY 54 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -0.16 -3.92 1.61 2.03 -0.60 -5.09 116.55 110.42 1x6a n ASP 55 Ca 0.00 -1.17 -0.30 0.00 0.52 0.00 0.00 54.79 53.85 1x6a n ASP 55 Cb 0.00 -0.47 -0.16 0.00 -0.72 0.00 0.00 41.12 39.77 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 -3.86 1.79 0.81 -1.67 0.00 -1.26 -4.98 121.76 112.59 1x6a s ALA 56 Ca 0.34 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 1x6a s ALA 56 Cb -0.01 -1.33 0.05 0.00 0.00 0.00 0.00 23.12 21.83 1x6a s ALA 56 CO 0.24 -1.06 0.30 2.48 0.00 0.00 0.00 175.76 177.73 1x6a n TYR 57 N 4.74 -3.74 -3.52 0.00 0.18 -1.26 -0.25 117.16 113.31 1x6a n TYR 57 Ca -0.12 -0.34 -0.20 0.00 1.88 0.00 0.00 57.90 59.11 1x6a n TYR 57 Cb 0.45 -0.23 -0.14 0.00 -0.38 0.00 0.00 39.34 39.05 1x6a n TYR 57 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1x6a s ALA 58 N -3.60 -0.10 -0.44 -3.48 0.00 -0.00 -3.79 121.76 110.37 1x6a s ALA 58 Ca 0.18 0.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.06 1x6a s ALA 58 Cb -0.01 -1.27 0.03 0.00 0.00 0.00 0.00 23.12 21.88 1x6a s ALA 58 CO 0.12 -1.22 0.41 -1.17 0.00 0.00 0.00 175.76 173.90 1x6a s LEU 59 N 2.28 5.08 0.33 0.00 1.98 -1.26 -2.02 118.68 125.06 1x6a s LEU 59 Ca 0.06 -0.88 -0.02 0.00 -2.89 0.00 0.00 54.13 50.40 1x6a s LEU 59 Cb -0.16 -2.29 -0.04 0.00 0.66 0.00 0.00 46.19 44.36 1x6a s LEU 59 CO -0.12 -0.59 0.56 -0.69 -1.89 0.00 0.00 176.35 173.62 1x6a s VAL 60 N 1.97 5.06 0.43 1.68 1.01 -1.26 -5.00 120.40 124.30 1x6a s VAL 60 Ca 0.09 -0.19 0.10 0.00 0.00 0.00 0.00 61.98 61.98 1x6a s VAL 60 Cb -0.19 -3.80 0.27 0.00 0.00 0.00 0.00 36.38 32.66 1x6a s VAL 60 CO 0.11 -0.46 2.07 0.06 0.00 0.00 0.00 175.10 176.88 1x6a h GLN 61 N 1.16 0.42 -7.07 2.72 3.07 -1.98 -3.42 115.11 110.02 1x6a h GLN 61 Ca -0.49 -0.03 -0.45 0.00 0.09 0.00 0.00 58.65 57.78 1x6a h GLN 61 Cb 1.20 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 28.66 1x6a h GLN 61 CO 0.64 0.28 0.35 -1.01 0.09 0.00 0.00 178.83 179.18 1x6a s HIS 62 N -5.40 3.26 -1.26 0.06 3.76 -1.26 -4.94 115.29 109.51 1x6a s HIS 62 Ca -0.08 1.60 -0.08 0.00 -0.15 0.00 0.00 55.06 56.35 1x6a s HIS 62 Cb 0.18 -2.89 -0.08 0.00 1.11 0.00 0.00 32.58 30.90 1x6a s HIS 62 CO 0.72 -0.25 2.65 0.00 -0.85 0.00 0.00 174.74 177.00 1x6a n ALA 63 N -0.76 6.35 -3.66 -1.40 0.00 -1.26 -4.67 120.51 115.11 1x6a n ALA 63 Ca 0.07 -2.82 -0.21 0.00 0.00 0.00 0.00 53.44 50.49 1x6a n ALA 63 Cb 0.54 -3.17 -0.18 0.00 0.00 0.00 0.00 19.45 16.64 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 2.60 -0.11 0.13 0.00 2.01 -1.26 -5.15 115.64 113.85 1x6a s THR 64 Ca 0.57 0.35 0.06 0.00 0.31 0.00 0.00 61.69 62.98 1x6a s THR 64 Cb 0.15 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.41 1x6a s THR 64 CO -0.05 0.12 0.03 -0.22 -0.69 0.00 0.00 174.62 173.81 1x6a s LEU 65 N 2.17 3.49 0.28 4.42 0.20 -1.26 -4.13 118.68 123.85 1x6a s LEU 65 Ca 0.05 -0.24 0.03 0.00 0.69 0.00 0.00 54.13 54.66 1x6a s LEU 65 Cb -0.13 -2.17 -0.04 0.00 -0.43 0.00 0.00 46.19 43.43 1x6a s LEU 65 CO -0.04 0.12 0.17 -0.31 -0.29 0.00 0.00 176.35 176.00 1x6a s TYR 66 N -1.54 1.51 0.14 5.38 2.02 -0.85 -1.03 117.35 122.97 1x6a s TYR 66 Ca 0.27 -1.42 -0.09 0.00 -0.37 0.00 0.00 57.07 55.47 1x6a s TYR 66 Cb -0.11 -0.76 -0.06 0.00 -0.40 0.00 0.00 41.96 40.63 1x6a s TYR 66 CO 0.20 -0.60 0.44 0.00 -1.57 0.00 0.00 175.55 174.01 1x6a h GLY 68 N 3.16 1.32 1.80 0.00 0.00 -0.71 0.14 103.07 108.77 1x6a h GLY 68 Ca -0.48 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.51 1x6a h GLY 68 CO 0.69 0.09 -0.11 1.70 0.00 0.00 0.00 176.54 178.91 1x6a h LYS 69 N 0.76 0.25 0.21 4.80 3.64 -1.93 -0.03 116.57 124.27 1x6a h LYS 69 Ca 0.42 -0.05 -0.33 0.00 -1.27 0.00 0.00 60.65 59.41 1x6a h LYS 69 Cb 0.44 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1x6a h LYS 69 CO -0.28 0.37 -1.54 0.00 -2.27 0.00 0.00 179.45 175.74 1x6a h HIS 71 N 0.05 0.00 -0.60 0.00 -0.00 -0.48 -1.79 115.15 112.34 1x6a h HIS 71 Ca -0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.06 1x6a h HIS 71 Cb 2.07 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 29.45 1x6a h HIS 71 CO 0.12 0.04 0.31 -0.97 -0.00 0.00 0.00 177.93 177.43 1x6a h ASN 72 N 0.00 0.74 0.45 3.26 -1.24 -1.05 -1.71 115.58 116.03 1x6a h ASN 72 Ca -0.00 -0.06 -0.18 0.00 0.71 0.00 0.00 56.30 56.77 1x6a h ASN 72 Cb 0.35 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 1x6a h ASN 72 CO 0.00 0.61 -0.77 -0.08 -1.29 0.00 0.00 177.43 175.91 1x6a h GLU 73 N 0.83 0.25 -0.16 6.67 4.81 -1.45 -1.36 114.58 124.17 1x6a h GLU 73 Ca 0.21 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1x6a h GLU 73 Cb 0.05 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1x6a h GLU 73 CO -0.03 0.90 0.07 0.28 -0.73 0.00 0.00 179.01 179.50 1x6a h VAL 74 N 0.16 1.13 0.00 0.32 2.07 -1.26 -2.69 116.25 115.98 1x6a h VAL 74 Ca -0.03 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 66.98 1x6a h VAL 74 Cb 1.34 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1x6a h VAL 74 CO 0.12 0.12 -0.57 -0.37 0.02 0.00 0.00 177.57 176.89 1x6a h VAL 75 N 0.12 1.29 -0.73 2.57 -1.51 -1.34 -3.19 116.25 113.45 1x6a h VAL 75 Ca 0.05 -2.05 -0.45 0.00 -1.23 0.00 0.00 66.70 63.02 1x6a h VAL 75 Cb 0.13 2.14 -0.13 0.00 -2.13 0.00 0.00 31.29 31.30 1x6a h VAL 75 CO -0.01 0.56 0.57 -0.24 -1.23 0.00 0.00 177.57 177.23 1x6a n SER 76 N -3.67 6.42 -3.24 4.19 2.88 -0.52 -4.87 113.62 114.81 1x6a n SER 76 Ca -0.01 -2.97 -0.09 0.00 -1.33 0.00 0.00 58.87 54.48 1x6a n SER 76 Cb 0.61 -1.31 0.02 0.00 -0.75 0.00 0.00 64.21 62.78 1x6a n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6a n GLY 77 N 1.55 2.14 0.00 0.46 0.00 -1.21 -4.88 105.19 103.24 1x6a n GLY 77 Ca 0.50 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.44 0.05 -0.93 1.61 -0.04 -1.26 -5.06 135.00 127.94 1x6a n PRO 78 Ca 0.05 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.22 1x6a n PRO 78 Cb 0.26 0.00 0.24 0.00 -0.04 0.00 0.00 33.50 33.96 1x6a n PRO 78 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x6a s SER 79 N -1.25 0.88 0.98 3.54 0.01 -1.26 -5.01 113.70 111.58 1x6a s SER 79 Ca 0.00 0.85 -0.11 0.00 1.31 0.00 0.00 55.95 58.00 1x6a s SER 79 Cb 0.00 -1.25 0.18 0.00 0.21 0.00 0.00 66.02 65.16 1x6a s SER 79 CO 0.00 -4.17 1.09 -0.94 0.41 0.00 0.00 173.24 169.63 1x6a s SER 80 N -3.55 2.59 0.00 2.44 1.04 -1.26 -5.25 113.70 109.71 1x6a s SER 80 Ca 0.69 1.73 0.00 0.00 0.48 0.00 0.00 55.95 58.86 1x6a s SER 80 Cb -0.13 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.63 1x6a s SER 80 CO 0.57 -3.23 0.00 0.61 0.98 0.00 0.00 173.24 172.17