#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 1.56 0.00 1.61 0.01 -1.26 -5.18 113.70 110.44 1x6a s SER 2 Ca 0.00 -1.61 0.00 0.00 1.31 0.00 0.00 55.95 55.65 1x6a s SER 2 Cb 0.00 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1x6a s SER 2 CO 0.00 -0.94 0.00 -0.24 0.41 0.00 0.00 173.24 172.47 1x6a n SER 3 N -1.08 0.00 0.00 2.44 2.88 -1.26 -5.20 113.62 111.41 1x6a n SER 3 Ca 0.02 -0.90 0.00 0.00 -1.33 0.00 0.00 58.87 56.67 1x6a n SER 3 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1x6a n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6a n GLY 4 N 0.00 0.93 3.14 0.46 0.00 -1.26 -5.19 105.19 103.26 1x6a n GLY 4 Ca 0.00 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 1x6a n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x6a s SER 5 N 0.00 0.34 0.16 1.61 1.04 -1.26 -5.18 113.70 110.40 1x6a s SER 5 Ca 0.00 -1.18 0.03 0.00 0.48 0.00 0.00 55.95 55.28 1x6a s SER 5 Cb 0.00 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 1x6a s SER 5 CO 0.00 -0.71 0.09 -0.24 0.98 0.00 0.00 173.24 173.37 1x6a n SER 6 N -0.06 0.32 0.00 7.02 2.88 -1.26 -5.17 113.62 117.34 1x6a n SER 6 Ca -0.07 -1.94 0.00 0.00 -1.33 0.00 0.00 58.87 55.53 1x6a n SER 6 Cb 0.63 0.59 0.00 0.00 -0.75 0.00 0.00 64.21 64.69 1x6a n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6a n GLY 7 N 0.29 4.17 2.34 0.46 0.00 -1.26 -5.08 105.19 106.11 1x6a n GLY 7 Ca 0.01 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.37 0.99 -2.09 1.61 4.76 -1.26 -5.13 118.16 115.66 1x6a n LYS 8 Ca 0.00 -3.00 -0.32 0.00 -2.87 0.00 0.00 58.31 52.13 1x6a n LYS 8 Cb 0.00 -1.52 -0.01 0.00 -1.84 0.00 0.00 35.03 31.67 1x6a n LYS 8 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1x6a s ASP 9 N -2.14 6.32 0.00 4.39 -4.77 -1.26 -4.97 116.67 114.24 1x6a s ASP 9 Ca 0.35 1.53 0.00 0.00 -3.30 0.00 0.00 52.55 51.13 1x6a s ASP 9 Cb 0.34 -2.49 0.00 0.00 -1.09 0.00 0.00 42.92 39.67 1x6a s ASP 9 CO -0.07 -0.80 0.00 0.00 0.70 0.00 0.00 175.17 175.00 1x6a n TYR 10 N -2.21 0.00 -2.00 2.11 4.11 -1.26 -5.06 117.16 112.84 1x6a n TYR 10 Ca 0.07 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.55 1x6a n TYR 10 Cb 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.85 1x6a n TYR 10 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1x6a s TRP 11 N -0.34 1.77 0.02 -3.48 0.52 -1.26 -4.97 118.94 111.21 1x6a s TRP 11 Ca 0.00 0.69 0.05 0.00 0.02 0.00 0.00 56.10 56.86 1x6a s TRP 11 Cb 0.00 -4.11 -0.02 0.00 -1.15 0.00 0.00 33.47 28.19 1x6a s TRP 11 CO 0.00 -2.78 -0.15 0.20 0.02 0.00 0.00 176.95 174.24 1x6a s GLY 12 N 6.61 0.83 0.55 0.98 0.00 -1.26 -5.07 107.32 109.96 1x6a s GLY 12 Ca 0.77 -0.80 0.06 0.00 0.00 0.00 0.00 44.72 44.75 1x6a s GLY 12 CO 0.31 -0.74 0.76 0.28 0.00 0.00 0.00 173.10 173.70 1x6a n LYS 13 N 2.17 0.45 -0.06 2.90 4.01 -1.26 -5.00 118.16 121.37 1x6a n LYS 13 Ca -0.17 -2.63 0.05 0.00 -0.51 0.00 0.00 58.31 55.05 1x6a n LYS 13 Cb 0.55 -0.32 0.22 0.00 -0.51 0.00 0.00 35.03 34.97 1x6a n LYS 13 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1x6a n PHE 14 N -2.28 0.15 -1.24 2.13 3.72 -1.26 -4.89 117.46 113.78 1x6a n PHE 14 Ca 0.14 -0.07 -0.17 0.00 -0.05 0.00 0.00 57.45 57.30 1x6a n PHE 14 Cb 0.52 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.19 1x6a n PHE 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x6a n GLY 15 N 0.80 -1.86 3.81 1.37 0.00 -1.26 -5.04 105.19 103.01 1x6a n GLY 15 Ca 0.09 -1.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.14 1x6a n GLY 15 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x6a s GLU 16 N -4.57 4.32 0.14 1.61 1.03 -1.26 -5.07 118.70 114.89 1x6a s GLU 16 Ca 0.42 0.98 0.07 0.00 0.03 0.00 0.00 54.97 56.47 1x6a s GLU 16 Cb -0.02 -2.80 -0.04 0.00 -0.80 0.00 0.00 34.13 30.47 1x6a s GLU 16 CO 0.31 0.33 -0.15 -0.06 -1.33 0.00 0.00 175.26 174.36 1x6a s PHE 17 N -1.61 1.52 -0.37 4.83 0.40 -1.26 -3.33 117.98 118.16 1x6a s PHE 17 Ca 0.46 -0.54 -0.29 0.00 -0.60 0.00 0.00 56.93 55.97 1x6a s PHE 17 Cb -0.16 -0.78 -0.00 0.00 0.51 0.00 0.00 43.02 42.58 1x6a s PHE 17 CO 0.21 0.20 1.61 0.00 0.70 0.00 0.00 175.22 177.94 1x6a h HIS 19 N 11.80 0.92 -0.21 0.00 -0.00 -1.72 -0.33 115.15 125.62 1x6a h HIS 19 Ca -0.31 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 59.98 1x6a h HIS 19 Cb 1.14 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 28.28 1x6a h HIS 19 CO 0.96 -0.02 -0.37 0.78 -0.00 0.00 0.00 177.93 179.29 1x6a h GLY 20 N 0.46 0.51 -0.06 2.45 0.00 -1.89 -3.37 103.07 101.18 1x6a h GLY 20 Ca 0.67 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1x6a h GLY 20 CO -0.49 0.43 -0.16 0.00 0.00 0.00 0.00 176.54 176.33 1x6a n SER 22 N -0.89 0.00 -4.80 0.00 2.88 -0.45 -5.00 113.62 105.36 1x6a n SER 22 Ca 0.01 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.19 1x6a n SER 22 Cb 0.07 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.47 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 4.32 0.83 2.46 1.43 -1.26 -4.77 118.68 121.69 1x6a s LEU 23 Ca 0.00 1.65 -0.11 0.00 -1.03 0.00 0.00 54.13 54.64 1x6a s LEU 23 Cb 0.00 -3.85 0.09 0.00 0.03 0.00 0.00 46.19 42.46 1x6a s LEU 23 CO 0.00 -0.04 1.09 -0.22 0.23 0.00 0.00 176.35 177.41 1x6a s LEU 24 N -2.07 2.59 -0.31 1.79 2.96 -1.26 -1.05 118.68 121.33 1x6a s LEU 24 Ca 0.48 1.56 0.02 0.00 -0.22 0.00 0.00 54.13 55.96 1x6a s LEU 24 Cb -0.17 -4.12 0.09 0.00 0.50 0.00 0.00 46.19 42.49 1x6a s LEU 24 CO 0.22 -2.28 0.05 0.00 -1.32 0.00 0.00 176.35 173.02 1x6a s MET 25 N -4.97 1.21 -1.37 1.98 0.23 -1.21 -4.77 119.30 110.40 1x6a s MET 25 Ca 0.62 -1.44 -0.14 0.00 -1.03 0.00 0.00 55.69 53.70 1x6a s MET 25 Cb -0.17 -2.65 0.08 0.00 -1.53 0.00 0.00 34.83 30.56 1x6a s MET 25 CO 0.56 -0.91 1.99 0.25 -2.03 0.00 0.00 175.02 174.89 1x6a n THR 26 N 4.54 3.79 -0.46 3.16 -2.24 -1.26 -4.77 114.28 117.05 1x6a n THR 26 Ca -0.01 -3.64 0.00 0.00 -2.27 0.00 0.00 64.05 58.13 1x6a n THR 26 Cb 0.42 -2.49 0.00 0.00 -2.10 0.00 0.00 70.33 66.16 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 4.17 -0.17 3.61 3.38 0.00 -1.26 -5.15 105.19 109.77 1x6a n GLY 27 Ca 0.48 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.00 -0.07 0.15 1.61 0.04 -1.26 -5.09 135.00 128.37 1x6a s PRO 28 Ca 0.00 0.64 -0.10 0.00 0.04 0.00 0.00 61.00 61.59 1x6a s PRO 28 Cb 0.00 -1.67 -0.00 0.00 0.04 0.00 0.00 34.50 32.87 1x6a s PRO 28 CO 0.00 -3.10 0.28 -0.59 0.04 0.00 0.00 177.00 173.63 1x6a s PHE 29 N -2.78 0.29 -0.04 0.56 -0.12 -1.26 -4.95 117.98 109.68 1x6a s PHE 29 Ca 0.66 -0.67 0.04 0.00 -0.05 0.00 0.00 56.93 56.91 1x6a s PHE 29 Cb -0.21 -0.02 -0.03 0.00 -0.63 0.00 0.00 43.02 42.13 1x6a s PHE 29 CO 0.60 -0.69 -0.13 1.41 -0.05 0.00 0.00 175.22 176.36 1x6a s MET 30 N -3.93 2.49 -0.10 1.99 1.75 -1.23 -5.05 119.30 115.23 1x6a s MET 30 Ca 0.14 -0.71 0.03 0.00 -1.25 0.00 0.00 55.69 53.90 1x6a s MET 30 Cb 0.03 -2.39 0.00 0.00 2.84 0.00 0.00 34.83 35.31 1x6a s MET 30 CO -0.03 0.62 -0.21 0.08 -0.65 0.00 0.00 175.02 174.83 1x6a s VAL 31 N -0.78 1.83 -0.18 10.11 1.01 -1.26 -2.99 120.40 128.14 1x6a s VAL 31 Ca 0.12 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 1x6a s VAL 31 Cb -0.11 -1.60 0.05 0.00 0.00 0.00 0.00 36.38 34.72 1x6a s VAL 31 CO 0.02 0.51 0.45 0.00 0.00 0.00 0.00 175.10 176.08 1x6a s ALA 32 N 0.47 -1.15 -0.12 5.51 0.00 -1.17 -4.87 121.76 120.43 1x6a s ALA 32 Ca -0.17 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1x6a s ALA 32 Cb -0.17 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.07 1x6a s ALA 32 CO 0.07 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1x6a n GLY 33 N 3.58 0.17 1.89 0.00 0.00 -1.26 -2.02 105.19 107.55 1x6a n GLY 33 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.25 0.00 -2.15 1.61 1.02 -1.26 -5.05 120.64 115.06 1x6a n GLU 34 Ca -0.01 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.85 1x6a n GLU 34 Cb 0.44 -0.97 0.16 0.00 -0.02 0.00 0.00 31.44 31.04 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 -2.66 1.65 -0.03 -0.32 0.08 -0.86 -5.06 117.98 110.78 1x6a s PHE 35 Ca 0.00 0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.19 1x6a s PHE 35 Cb 0.00 -3.72 0.03 0.00 -0.57 0.00 0.00 43.02 38.76 1x6a s PHE 35 CO 0.00 -2.30 0.00 0.21 -0.10 0.00 0.00 175.22 173.04 1x6a s LYS 36 N -5.63 0.28 0.05 0.44 2.20 -1.26 -3.05 119.74 112.77 1x6a s LYS 36 Ca 0.71 0.09 -0.01 0.00 -0.36 0.00 0.00 55.97 56.40 1x6a s LYS 36 Cb -0.05 -0.48 -0.04 0.00 -1.51 0.00 0.00 37.83 35.76 1x6a s LYS 36 CO 0.50 -0.14 -0.03 0.71 -0.36 0.00 0.00 175.35 176.02 1x6a s TYR 37 N 1.06 0.52 0.54 4.03 2.02 -1.16 -1.95 117.35 122.42 1x6a s TYR 37 Ca -0.09 -1.01 -0.20 0.00 -0.37 0.00 0.00 57.07 55.40 1x6a s TYR 37 Cb -0.13 -0.38 -0.05 0.00 -0.40 0.00 0.00 41.96 40.99 1x6a s TYR 37 CO -0.02 -0.35 1.16 -1.01 -1.57 0.00 0.00 175.55 173.77 1x6a s HIS 38 N -3.67 2.61 0.12 2.71 3.76 -1.26 -3.49 115.29 116.07 1x6a s HIS 38 Ca 0.05 1.53 -0.22 0.00 -0.15 0.00 0.00 55.06 56.27 1x6a s HIS 38 Cb 0.06 -3.37 -0.06 0.00 1.11 0.00 0.00 32.58 30.33 1x6a s HIS 38 CO -0.09 -1.78 1.69 -1.00 -0.85 0.00 0.00 174.74 172.71 1x6a h PRO 39 N 1.25 -0.15 -0.76 8.40 0.13 -1.94 -2.05 132.00 136.88 1x6a h PRO 39 Ca -0.50 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1x6a h PRO 39 Cb 1.27 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 1x6a h PRO 39 CO 0.57 -0.10 0.49 0.93 -0.23 0.00 0.00 178.00 179.66 1x6a h GLU 40 N -0.15 0.93 -0.25 0.86 5.08 -1.96 -1.86 114.58 117.22 1x6a h GLU 40 Ca 0.07 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1x6a h GLU 40 Cb 0.25 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1x6a h GLU 40 CO -0.16 0.62 0.00 0.00 -1.00 0.00 0.00 179.01 178.46 1x6a s PHE 42 N -1.69 3.83 0.23 0.00 2.19 -0.70 -4.76 117.98 117.09 1x6a s PHE 42 Ca 0.00 -2.95 0.02 0.00 0.33 0.00 0.00 56.93 54.33 1x6a s PHE 42 Cb 0.00 -3.27 -0.05 0.00 -1.31 0.00 0.00 43.02 38.39 1x6a s PHE 42 CO 0.00 -0.76 0.04 0.00 1.83 0.00 0.00 175.22 176.33 1x6a s ALA 43 N -1.13 1.71 -0.11 11.12 0.00 -1.26 -0.78 121.76 131.31 1x6a s ALA 43 Ca 0.26 -1.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.14 1x6a s ALA 43 Cb -0.09 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 1x6a s ALA 43 CO -0.11 -0.35 1.12 0.00 0.00 0.00 0.00 175.76 176.43 1x6a h MET 45 N 7.45 0.03 -0.06 0.00 4.05 -1.89 0.39 114.93 124.90 1x6a h MET 45 Ca -0.30 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.14 1x6a h MET 45 Cb 1.13 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.92 1x6a h MET 45 CO 0.90 0.02 0.12 0.77 0.23 0.00 0.00 176.91 178.95 1x6a h SER 46 N 0.03 0.00 0.00 1.39 0.02 -1.92 -3.28 113.55 109.80 1x6a h SER 46 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1x6a h SER 46 Cb -0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1x6a h SER 46 CO -0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1x6a n LYS 48 N -0.09 0.00 -1.93 0.00 4.01 0.13 -4.98 118.16 115.30 1x6a n LYS 48 Ca 0.00 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.39 1x6a n LYS 48 Cb 0.07 -2.70 -0.01 0.00 -0.51 0.00 0.00 35.03 31.87 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 -2.30 2.37 0.47 -0.18 0.11 -1.26 -4.53 120.40 115.07 1x6a s VAL 49 Ca 0.00 0.34 -0.22 0.00 -2.93 0.00 0.00 61.98 59.17 1x6a s VAL 49 Cb 0.00 -3.22 -0.07 0.00 -1.53 0.00 0.00 36.38 31.56 1x6a s VAL 49 CO 0.00 0.07 1.13 -0.63 -3.33 0.00 0.00 175.10 172.34 1x6a s ILE 50 N -0.66 3.25 -0.43 7.04 -1.09 -1.26 -0.66 121.20 127.39 1x6a s ILE 50 Ca 0.55 0.89 0.03 0.00 -2.23 0.00 0.00 60.65 59.90 1x6a s ILE 50 Cb -0.44 -3.43 0.12 0.00 -1.58 0.00 0.00 42.46 37.13 1x6a s ILE 50 CO 0.53 -0.06 0.17 -0.63 -1.23 0.00 0.00 174.94 173.72 1x6a s ILE 51 N -1.64 2.22 0.89 2.92 1.01 0.04 -4.87 121.20 121.78 1x6a s ILE 51 Ca 0.65 -2.74 -0.13 0.00 0.00 0.00 0.00 60.65 58.43 1x6a s ILE 51 Cb -0.26 -2.59 0.13 0.00 0.01 0.00 0.00 42.46 39.75 1x6a s ILE 51 CO 0.31 -0.73 1.20 -1.61 0.00 0.00 0.00 174.94 174.11 1x6a s GLU 52 N 0.36 1.30 0.13 2.79 2.02 -1.26 -4.85 118.70 119.19 1x6a s GLU 52 Ca 0.14 0.04 0.08 0.00 0.02 0.00 0.00 54.97 55.25 1x6a s GLU 52 Cb -0.23 -1.88 0.43 0.00 0.10 0.00 0.00 34.13 32.55 1x6a s GLU 52 CO -0.05 -2.04 1.21 -0.40 0.02 0.00 0.00 175.26 174.00 1x6a n ASP 53 N -3.61 0.20 0.05 -0.19 5.75 -1.26 -2.19 116.55 115.31 1x6a n ASP 53 Ca 0.09 0.56 0.11 0.00 -0.01 0.00 0.00 54.79 55.55 1x6a n ASP 53 Cb 0.60 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 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 -1.39 -1.30 3.70 6.12 0.00 -1.26 -4.90 105.19 106.15 1x6a n GLY 54 Ca -0.01 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.58 5.30 -0.41 1.61 -1.08 -0.93 -5.06 116.67 111.52 1x6a s ASP 55 Ca 0.01 0.16 -0.28 0.00 -0.52 0.00 0.00 52.55 51.92 1x6a s ASP 55 Cb 0.12 -1.50 -0.02 0.00 -1.46 0.00 0.00 42.92 40.06 1x6a s ASP 55 CO 0.80 0.38 1.82 0.00 0.52 0.00 0.00 175.17 178.70 1x6a s ALA 56 N -0.90 2.64 0.77 3.66 0.00 -1.26 -4.78 121.76 121.89 1x6a s ALA 56 Ca 0.14 -0.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 1x6a s ALA 56 Cb -0.11 -4.10 0.07 0.00 0.00 0.00 0.00 23.12 18.97 1x6a s ALA 56 CO 0.03 -3.03 0.43 2.48 0.00 0.00 0.00 175.76 175.66 1x6a n TYR 57 N 11.12 -3.64 -3.76 0.00 4.11 -1.26 -1.68 117.16 122.05 1x6a n TYR 57 Ca 0.23 -0.52 -0.12 0.00 -0.00 0.00 0.00 57.90 57.48 1x6a n TYR 57 Cb 0.49 -0.32 -0.08 0.00 -0.00 0.00 0.00 39.34 39.42 1x6a n TYR 57 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1x6a s ALA 58 N -3.49 -0.74 -0.31 -3.48 0.00 -1.01 -4.30 121.76 108.43 1x6a s ALA 58 Ca 0.26 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.38 1x6a s ALA 58 Cb -0.01 0.19 0.10 0.00 0.00 0.00 0.00 23.12 23.40 1x6a s ALA 58 CO 0.18 -0.33 0.12 -1.17 0.00 0.00 0.00 175.76 174.55 1x6a s LEU 59 N -1.68 1.61 -0.13 0.00 1.98 -1.26 -3.81 118.68 115.39 1x6a s LEU 59 Ca -0.09 -1.55 -0.16 0.00 -2.89 0.00 0.00 54.13 49.44 1x6a s LEU 59 Cb -0.03 -0.67 -0.04 0.00 0.66 0.00 0.00 46.19 46.10 1x6a s LEU 59 CO 0.01 -0.42 0.38 -0.69 -1.89 0.00 0.00 176.35 173.74 1x6a s VAL 60 N 1.74 5.24 -1.05 1.68 1.01 -1.25 -4.96 120.40 122.82 1x6a s VAL 60 Ca 0.10 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.81 1x6a s VAL 60 Cb -0.17 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1x6a s VAL 60 CO -0.28 0.37 0.74 0.00 0.00 0.00 0.00 175.10 175.93 1x6a n GLN 61 N 3.50 0.00 0.00 2.72 0.00 -1.26 -3.07 117.38 119.27 1x6a n GLN 61 Ca -0.10 0.27 0.06 0.00 0.00 0.00 0.00 57.00 57.23 1x6a n GLN 61 Cb 0.52 -1.57 0.36 0.00 0.00 0.00 0.00 30.24 29.55 1x6a n GLN 61 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1x6a n HIS 62 N -1.24 0.00 -1.00 2.61 -0.00 -1.26 -4.83 115.22 109.50 1x6a n HIS 62 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1x6a n HIS 62 Cb 0.07 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 29.91 1x6a n HIS 62 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1x6a n ALA 63 N -1.03 0.00 -2.56 1.57 0.00 -1.18 -5.04 120.51 112.27 1x6a n ALA 63 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 1x6a n ALA 63 Cb 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.43 3.24 -0.05 0.00 2.01 -1.25 -5.11 115.64 112.05 1x6a s THR 64 Ca 0.00 -1.38 0.00 0.00 0.31 0.00 0.00 61.69 60.63 1x6a s THR 64 Cb 0.00 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 1x6a s THR 64 CO 0.00 0.07 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.75 1x6a s LEU 65 N -2.29 3.37 0.07 4.42 2.96 -1.26 -3.86 118.68 122.08 1x6a s LEU 65 Ca 0.21 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1x6a s LEU 65 Cb -0.11 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1x6a s LEU 65 CO 0.13 0.34 -0.04 -0.31 -1.32 0.00 0.00 176.35 175.15 1x6a s TYR 66 N -0.91 0.66 0.32 5.38 1.51 -1.25 -3.16 117.35 119.90 1x6a s TYR 66 Ca 0.15 -0.97 -0.02 0.00 -1.01 0.00 0.00 57.07 55.21 1x6a s TYR 66 Cb -0.11 -0.43 -0.04 0.00 -0.11 0.00 0.00 41.96 41.27 1x6a s TYR 66 CO 0.04 -0.28 0.56 0.00 -1.11 0.00 0.00 175.55 174.76 1x6a h GLY 68 N 1.19 0.82 0.96 0.00 0.00 -1.51 0.15 103.07 104.69 1x6a h GLY 68 Ca -0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1x6a h GLY 68 CO 0.64 -0.13 -0.05 0.50 0.00 0.00 0.00 176.54 177.50 1x6a h LYS 69 N 0.27 -0.13 -0.78 4.80 6.56 -1.95 -0.38 116.57 124.97 1x6a h LYS 69 Ca 0.34 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.92 1x6a h LYS 69 Cb 0.51 0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 32.16 1x6a h LYS 69 CO -0.42 -0.05 0.43 0.00 -2.06 0.00 0.00 179.45 177.34 1x6a h HIS 71 N 1.08 1.04 0.00 0.00 -0.00 -0.74 -2.83 115.15 113.70 1x6a h HIS 71 Ca 0.27 -0.30 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 1x6a h HIS 71 Cb 0.02 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.21 1x6a h HIS 71 CO 0.01 1.11 0.00 -0.91 -0.00 0.00 0.00 177.93 178.14 1x6a h ASN 72 N 0.72 0.00 0.03 3.26 4.21 -0.56 -2.83 115.58 120.41 1x6a h ASN 72 Ca 0.06 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.53 1x6a h ASN 72 Cb 0.95 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.15 1x6a h ASN 72 CO 0.09 0.00 -0.22 -0.08 -1.29 0.00 0.00 177.43 175.93 1x6a h GLU 73 N 0.00 0.05 -0.59 0.81 4.81 -1.18 -3.37 114.58 115.12 1x6a h GLU 73 Ca 0.00 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1x6a h GLU 73 Cb 0.12 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1x6a h GLU 73 CO 0.00 1.04 0.16 -0.24 -0.73 0.00 0.00 179.01 179.25 1x6a h VAL 74 N -0.88 1.23 0.00 0.32 3.04 -1.53 -2.71 116.25 115.71 1x6a h VAL 74 Ca -0.05 -0.82 0.00 0.00 -1.01 0.00 0.00 66.70 64.82 1x6a h VAL 74 Cb 1.14 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.02 1x6a h VAL 74 CO 0.02 0.31 0.00 1.33 -1.01 0.00 0.00 177.57 178.22 1x6a n VAL 75 N -4.27 1.56 0.76 1.51 0.24 -1.15 -2.26 118.33 114.72 1x6a n VAL 75 Ca 0.04 0.50 0.09 0.00 -2.04 0.00 0.00 64.34 62.94 1x6a n VAL 75 Cb 0.22 -1.46 0.44 0.00 -1.47 0.00 0.00 33.84 31.57 1x6a n VAL 75 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1x6a n SER 76 N -1.72 0.00 -3.87 -1.34 2.88 -1.02 -4.88 113.62 103.67 1x6a n SER 76 Ca 0.00 0.29 -0.09 0.00 -1.33 0.00 0.00 58.87 57.75 1x6a n SER 76 Cb 0.05 -0.41 -0.04 0.00 -0.75 0.00 0.00 64.21 63.06 1x6a n SER 76 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x6a s GLY 77 N -2.82 0.13 -1.49 0.46 0.00 -0.96 -5.07 107.32 97.58 1x6a s GLY 77 Ca 0.13 -0.48 -0.10 0.00 0.00 0.00 0.00 44.72 44.27 1x6a s GLY 77 CO 0.32 -0.34 2.76 -1.55 0.00 0.00 0.00 173.10 174.29 1x6a n PRO 78 N -0.39 3.35 -1.93 2.90 -0.04 -1.26 -4.97 135.00 132.65 1x6a n PRO 78 Ca -0.05 -2.11 -0.38 0.00 -0.04 0.00 0.00 63.50 60.92 1x6a n PRO 78 Cb 0.61 -2.79 0.03 0.00 -0.04 0.00 0.00 33.50 31.31 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 2.50 5.48 0.33 3.54 0.01 -1.26 -5.03 113.70 119.26 1x6a s SER 79 Ca 0.63 2.60 -0.10 0.00 1.31 0.00 0.00 55.95 60.39 1x6a s SER 79 Cb 0.16 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.79 1x6a s SER 79 CO -0.06 -1.41 0.59 -0.55 0.41 0.00 0.00 173.24 172.22 1x6a s SER 80 N -1.15 0.35 0.00 2.44 0.15 -1.26 -5.17 113.70 109.06 1x6a s SER 80 Ca 0.70 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1x6a s SER 80 Cb -0.36 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1x6a s SER 80 CO 0.42 -1.39 0.13 0.61 1.20 0.00 0.00 173.24 174.22