#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 0.53 -0.01 1.61 0.15 -1.26 -5.15 113.70 109.57 1x6a s SER 2 Ca 0.00 -0.08 -0.08 0.00 0.70 0.00 0.00 55.95 56.49 1x6a s SER 2 Cb 0.00 0.99 0.00 0.00 -1.71 0.00 0.00 66.02 65.31 1x6a s SER 2 CO 0.00 -0.33 0.16 -0.44 1.20 0.00 0.00 173.24 173.83 1x6a s SER 3 N 2.51 -0.02 0.00 5.45 0.01 -1.26 -5.08 113.70 115.32 1x6a s SER 3 Ca 0.11 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1x6a s SER 3 Cb -0.14 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1x6a s SER 3 CO -0.21 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.70 1x6a n GLY 4 N 1.60 -0.85 1.20 3.44 0.00 -1.26 -5.18 105.19 104.14 1x6a n GLY 4 Ca -0.22 0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 1x6a n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x6a n SER 5 N 0.00 -0.39 -3.48 1.61 2.88 -1.26 -5.19 113.62 107.78 1x6a n SER 5 Ca 0.00 -1.74 -0.14 0.00 -1.33 0.00 0.00 58.87 55.66 1x6a n SER 5 Cb 0.00 0.79 -0.04 0.00 -0.75 0.00 0.00 64.21 64.21 1x6a n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x6a s SER 6 N -1.82 -0.56 0.60 -3.46 1.04 -1.26 -5.19 113.70 103.05 1x6a s SER 6 Ca 0.12 0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.91 1x6a s SER 6 Cb 0.00 0.52 0.08 0.00 0.10 0.00 0.00 66.02 66.73 1x6a s SER 6 CO 0.09 -0.73 0.84 -0.83 0.98 0.00 0.00 173.24 173.58 1x6a s GLY 7 N -1.96 1.79 0.35 7.32 0.00 -1.26 -5.14 107.32 108.43 1x6a s GLY 7 Ca -0.04 -1.74 0.09 0.00 0.00 0.00 0.00 44.72 43.03 1x6a s GLY 7 CO -0.02 -1.32 0.02 0.54 0.00 0.00 0.00 173.10 172.32 1x6a s LYS 8 N -4.83 2.06 -0.54 2.90 1.02 -1.26 -5.11 119.74 113.99 1x6a s LYS 8 Ca 0.62 -1.81 0.01 0.00 0.02 0.00 0.00 55.97 54.82 1x6a s LYS 8 Cb -0.07 -1.89 0.14 0.00 -0.52 0.00 0.00 37.83 35.48 1x6a s LYS 8 CO 0.40 0.09 0.30 0.16 -0.92 0.00 0.00 175.35 175.39 1x6a s ASP 9 N -3.73 4.70 -0.01 2.83 -4.77 -1.26 -4.88 116.67 109.56 1x6a s ASP 9 Ca 0.35 -2.86 0.03 0.00 -3.30 0.00 0.00 52.55 46.77 1x6a s ASP 9 Cb 0.01 -1.72 -0.04 0.00 -1.09 0.00 0.00 42.92 40.09 1x6a s ASP 9 CO 0.19 -0.30 0.05 0.00 0.70 0.00 0.00 175.17 175.82 1x6a n TYR 10 N 3.37 0.00 -1.30 2.11 4.11 -1.26 -5.03 117.16 119.17 1x6a n TYR 10 Ca 0.06 0.00 -0.30 0.00 -0.00 0.00 0.00 57.90 57.66 1x6a n TYR 10 Cb 0.35 -0.06 0.13 0.00 -0.00 0.00 0.00 39.34 39.76 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 -2.17 2.42 -0.63 -3.48 0.52 -1.26 -3.70 118.94 110.63 1x6a s TRP 11 Ca -0.01 1.17 0.00 0.00 0.02 0.00 0.00 56.10 57.28 1x6a s TRP 11 Cb 0.02 -3.18 0.00 0.00 -1.15 0.00 0.00 33.47 29.15 1x6a s TRP 11 CO 0.11 -2.32 0.00 0.41 0.02 0.00 0.00 176.95 175.17 1x6a n GLY 12 N -1.41 0.69 3.58 0.98 0.00 -1.26 -4.97 105.19 102.79 1x6a n GLY 12 Ca 0.07 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1x6a n GLY 12 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x6a n LYS 13 N -1.06 -1.36 0.00 1.61 0.00 -1.24 -4.99 118.16 111.12 1x6a n LYS 13 Ca -0.06 -0.35 0.00 0.00 -0.00 0.00 0.00 58.31 57.91 1x6a n LYS 13 Cb 0.42 -2.28 0.00 0.00 -0.00 0.00 0.00 35.03 33.17 1x6a n LYS 13 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1x6a n PHE 14 N -4.58 0.00 -3.28 5.58 3.72 -1.26 -5.12 117.46 112.52 1x6a n PHE 14 Ca 0.08 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.46 1x6a n PHE 14 Cb 0.53 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.08 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 1.59 1.60 3.87 1.37 0.00 -1.26 -5.17 105.19 107.19 1x6a n GLY 15 Ca 0.00 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.02 3.84 0.09 1.61 2.02 -1.26 -5.12 118.70 117.87 1x6a s GLU 16 Ca 0.04 0.35 0.06 0.00 0.02 0.00 0.00 54.97 55.44 1x6a s GLU 16 Cb -0.01 -2.65 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 1x6a s GLU 16 CO 0.03 0.31 -0.16 -0.06 0.02 0.00 0.00 175.26 175.40 1x6a s PHE 17 N -1.80 1.44 -0.14 1.61 0.40 -1.26 -4.26 117.98 113.97 1x6a s PHE 17 Ca 0.47 -0.46 -0.33 0.00 -0.60 0.00 0.00 56.93 56.01 1x6a s PHE 17 Cb -0.11 -0.79 -0.10 0.00 0.51 0.00 0.00 43.02 42.52 1x6a s PHE 17 CO 0.20 0.13 1.99 0.00 0.70 0.00 0.00 175.22 178.24 1x6a n HIS 19 N 8.03 0.00 0.00 0.00 -0.00 -0.51 -0.64 115.22 122.11 1x6a n HIS 19 Ca 0.27 -0.38 0.00 0.00 0.46 0.00 0.00 57.72 58.07 1x6a n HIS 19 Cb 0.32 -0.23 0.00 0.00 -0.12 0.00 0.00 29.99 29.96 1x6a n HIS 19 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1x6a n GLY 20 N 0.77 0.00 0.00 1.57 0.00 -1.26 -4.93 105.19 101.35 1x6a n GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1x6a n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6a n SER 22 N -0.04 0.00 -4.86 0.00 7.64 0.19 -4.99 113.62 111.56 1x6a n SER 22 Ca 0.00 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.57 1x6a n SER 22 Cb 0.11 -0.77 -0.03 0.00 -1.01 0.00 0.00 64.21 62.51 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 0.00 3.80 0.40 -3.43 1.43 -1.26 -4.61 118.68 115.01 1x6a s LEU 23 Ca 0.00 1.25 -0.25 0.00 -1.03 0.00 0.00 54.13 54.10 1x6a s LEU 23 Cb 0.00 -4.14 -0.08 0.00 0.03 0.00 0.00 46.19 41.99 1x6a s LEU 23 CO 0.00 -0.43 1.21 -0.22 0.23 0.00 0.00 176.35 177.14 1x6a s LEU 24 N -3.84 4.19 0.44 1.79 2.96 -1.26 -0.50 118.68 122.47 1x6a s LEU 24 Ca 0.53 2.44 0.24 0.00 -0.22 0.00 0.00 54.13 57.12 1x6a s LEU 24 Cb -0.10 -3.99 0.44 0.00 0.50 0.00 0.00 46.19 43.04 1x6a s LEU 24 CO 0.30 -0.74 1.64 0.00 -1.32 0.00 0.00 176.35 176.23 1x6a h MET 25 N 2.63 0.00 -4.87 1.98 -0.00 -1.87 -3.46 114.93 109.35 1x6a h MET 25 Ca -0.49 0.00 -0.39 0.00 -0.00 0.00 0.00 59.70 58.82 1x6a h MET 25 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.84 1x6a h MET 25 CO 0.62 0.02 -0.58 0.25 -0.00 0.00 0.00 176.91 177.23 1x6a n THR 26 N -3.11 -1.53 0.00 -0.10 -2.24 -1.26 -4.30 114.28 101.74 1x6a n THR 26 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1x6a n THR 26 Cb 0.51 -2.72 0.00 0.00 -2.10 0.00 0.00 70.33 66.03 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 -1.35 0.93 3.79 3.38 0.00 -1.26 -5.11 105.19 105.57 1x6a n GLY 27 Ca -0.07 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 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 3.16 0.31 1.61 0.04 -1.26 -5.07 135.00 133.78 1x6a s PRO 28 Ca 0.00 1.35 -0.07 0.00 0.04 0.00 0.00 61.00 62.32 1x6a s PRO 28 Cb 0.00 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1x6a s PRO 28 CO 0.00 -0.96 0.48 -0.59 0.04 0.00 0.00 177.00 175.97 1x6a s PHE 29 N -2.26 0.75 0.12 0.56 -0.12 -1.26 -4.78 117.98 110.99 1x6a s PHE 29 Ca 0.67 -1.06 0.10 0.00 -0.05 0.00 0.00 56.93 56.59 1x6a s PHE 29 Cb -0.19 0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 1x6a s PHE 29 CO 0.36 -1.10 -0.24 -1.64 -0.05 0.00 0.00 175.22 172.55 1x6a s MET 30 N -3.39 1.55 -0.08 1.99 -1.94 -0.64 -4.86 119.30 111.93 1x6a s MET 30 Ca 0.27 -1.28 0.03 0.00 -1.71 0.00 0.00 55.69 53.00 1x6a s MET 30 Cb -0.00 -1.98 0.01 0.00 2.01 0.00 0.00 34.83 34.86 1x6a s MET 30 CO 0.15 0.46 -0.18 0.08 -0.01 0.00 0.00 175.02 175.52 1x6a s VAL 31 N -1.08 1.59 -0.16 -6.03 1.01 -1.26 -2.29 120.40 112.18 1x6a s VAL 31 Ca 0.15 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1x6a s VAL 31 Cb -0.10 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 34.93 1x6a s VAL 31 CO 0.07 0.46 0.39 0.00 0.00 0.00 0.00 175.10 176.02 1x6a s ALA 32 N 0.50 -0.99 -1.70 5.51 0.00 -1.17 -4.84 121.76 119.08 1x6a s ALA 32 Ca -0.17 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1x6a s ALA 32 Cb -0.17 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.13 1x6a s ALA 32 CO 0.06 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1x6a n GLY 33 N 3.85 1.57 3.24 0.00 0.00 -1.26 -1.44 105.19 111.15 1x6a n GLY 33 Ca -0.20 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.07 0.00 -1.83 1.61 1.02 -1.26 -5.02 120.64 113.09 1x6a n GLU 34 Ca -0.16 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.68 1x6a n GLU 34 Cb 0.58 -2.55 0.05 0.00 -0.02 0.00 0.00 31.44 29.51 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 -3.18 3.27 -0.14 -0.32 0.08 -0.52 -5.05 117.98 112.12 1x6a s PHE 35 Ca 0.00 1.09 0.02 0.00 0.12 0.00 0.00 56.93 58.16 1x6a s PHE 35 Cb 0.00 -3.05 0.01 0.00 -0.57 0.00 0.00 43.02 39.41 1x6a s PHE 35 CO 0.00 -1.23 -0.21 0.15 -0.10 0.00 0.00 175.22 173.82 1x6a s LYS 36 N -5.31 3.04 0.06 0.44 3.01 -1.26 -3.02 119.74 116.69 1x6a s LYS 36 Ca 0.58 -0.84 0.01 0.00 -1.01 0.00 0.00 55.97 54.71 1x6a s LYS 36 Cb -0.12 -2.45 -0.03 0.00 -1.01 0.00 0.00 37.83 34.22 1x6a s LYS 36 CO 0.52 -0.01 -0.06 0.71 0.51 0.00 0.00 175.35 177.03 1x6a s TYR 37 N 0.81 0.65 0.58 3.18 2.02 -0.97 -1.42 117.35 122.19 1x6a s TYR 37 Ca -0.07 -0.73 -0.19 0.00 -0.37 0.00 0.00 57.07 55.71 1x6a s TYR 37 Cb -0.16 -0.40 -0.04 0.00 -0.40 0.00 0.00 41.96 40.96 1x6a s TYR 37 CO -0.02 -0.17 1.16 -1.01 -1.57 0.00 0.00 175.55 173.94 1x6a s HIS 38 N -2.55 2.54 0.15 2.71 3.76 -1.26 -1.62 115.29 119.02 1x6a s HIS 38 Ca -0.01 1.54 -0.17 0.00 -0.15 0.00 0.00 55.06 56.27 1x6a s HIS 38 Cb -0.02 -3.35 -0.00 0.00 1.11 0.00 0.00 32.58 30.31 1x6a s HIS 38 CO -0.03 -1.85 1.80 -1.00 -0.85 0.00 0.00 174.74 172.81 1x6a h PRO 39 N 0.92 0.46 0.00 8.40 0.13 -1.89 -1.47 132.00 138.55 1x6a h PRO 39 Ca -0.50 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1x6a h PRO 39 Cb 1.27 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1x6a h PRO 39 CO 0.56 0.30 0.00 -0.85 -0.23 0.00 0.00 178.00 177.78 1x6a n GLU 40 N -4.85 0.21 0.00 0.86 0.28 -1.26 -1.28 120.64 114.60 1x6a n GLU 40 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1x6a n GLU 40 Cb 0.03 -1.43 0.00 0.00 1.43 0.00 0.00 31.44 31.47 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 -0.11 2.87 0.08 0.00 5.36 -0.40 -4.91 117.98 120.87 1x6a s PHE 42 Ca 0.00 -0.84 -0.05 0.00 -0.96 0.00 0.00 56.93 55.08 1x6a s PHE 42 Cb 0.00 -4.18 -0.02 0.00 -0.34 0.00 0.00 43.02 38.48 1x6a s PHE 42 CO 0.00 -1.48 0.09 0.00 -1.46 0.00 0.00 175.22 172.37 1x6a s ALA 43 N 3.28 0.21 0.03 11.12 0.00 -1.26 -0.77 121.76 134.37 1x6a s ALA 43 Ca 0.19 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 1x6a s ALA 43 Cb -0.18 0.46 -0.07 0.00 0.00 0.00 0.00 23.12 23.32 1x6a s ALA 43 CO 0.06 -0.46 1.67 0.00 0.00 0.00 0.00 175.76 177.03 1x6a h MET 45 N 8.88 0.21 0.00 0.00 4.05 -1.33 0.24 114.93 126.98 1x6a h MET 45 Ca -0.42 -0.01 -0.16 0.00 -0.28 0.00 0.00 59.70 58.83 1x6a h MET 45 Cb 1.20 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 31.96 1x6a h MET 45 CO 0.94 0.14 -0.63 0.77 0.23 0.00 0.00 176.91 178.36 1x6a h SER 46 N 0.22 0.54 -0.01 1.39 0.02 -1.89 -3.37 113.55 110.46 1x6a h SER 46 Ca 0.07 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 60.25 1x6a h SER 46 Cb 0.02 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1x6a h SER 46 CO -0.01 1.24 -0.41 0.00 -1.14 0.00 0.00 176.83 176.50 1x6a n LYS 48 N -0.41 0.00 -2.17 0.00 4.76 0.81 -4.95 118.16 116.19 1x6a n LYS 48 Ca 0.06 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.11 1x6a n LYS 48 Cb 0.31 -4.25 -0.01 0.00 -1.84 0.00 0.00 35.03 29.24 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 -1.35 2.89 0.27 -0.18 0.11 -1.26 -4.65 120.40 116.22 1x6a s VAL 49 Ca 0.00 0.75 -0.29 0.00 -2.93 0.00 0.00 61.98 59.51 1x6a s VAL 49 Cb 0.00 -3.42 -0.09 0.00 -1.53 0.00 0.00 36.38 31.33 1x6a s VAL 49 CO 0.00 0.07 1.14 -0.63 -3.33 0.00 0.00 175.10 172.35 1x6a s ILE 50 N -1.36 3.42 -0.36 7.04 -1.09 -1.26 -1.88 121.20 125.70 1x6a s ILE 50 Ca 0.58 1.38 -0.10 0.00 -2.23 0.00 0.00 60.65 60.29 1x6a s ILE 50 Cb -0.34 -3.88 0.03 0.00 -1.58 0.00 0.00 42.46 36.69 1x6a s ILE 50 CO 0.42 0.31 0.17 -0.63 -1.23 0.00 0.00 174.94 173.99 1x6a s ILE 51 N -0.95 4.38 0.99 2.92 1.01 0.05 -4.92 121.20 124.68 1x6a s ILE 51 Ca 0.46 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 60.13 1x6a s ILE 51 Cb -0.33 -3.43 0.18 0.00 0.01 0.00 0.00 42.46 38.90 1x6a s ILE 51 CO 0.42 -0.18 1.09 -1.61 0.00 0.00 0.00 174.94 174.65 1x6a s GLU 52 N 1.52 0.49 -0.09 2.79 2.02 -1.26 -4.77 118.70 119.40 1x6a s GLU 52 Ca 0.01 1.07 -0.06 0.00 0.02 0.00 0.00 54.97 56.02 1x6a s GLU 52 Cb -0.19 -1.70 -0.24 0.00 0.10 0.00 0.00 34.13 32.10 1x6a s GLU 52 CO 0.06 -2.84 3.31 -3.47 0.02 0.00 0.00 175.26 172.34 1x6a n ASP 53 N -4.33 4.97 0.00 -0.19 2.03 -1.26 -1.32 116.55 116.45 1x6a n ASP 53 Ca 0.07 -2.40 0.00 0.00 0.52 0.00 0.00 54.79 52.98 1x6a n ASP 53 Cb 0.54 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.64 1x6a n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x6a n GLY 54 N 2.61 0.00 3.75 0.27 0.00 -1.26 -5.15 105.19 105.41 1x6a n GLY 54 Ca 0.41 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.01 5.16 -1.04 1.61 2.15 -0.44 -4.87 116.67 119.23 1x6a s ASP 55 Ca 0.00 2.42 -0.23 0.00 0.43 0.00 0.00 52.55 55.17 1x6a s ASP 55 Cb 0.00 -2.60 -0.03 0.00 -0.30 0.00 0.00 42.92 39.98 1x6a s ASP 55 CO 0.00 -1.61 1.85 0.00 -0.17 0.00 0.00 175.17 175.24 1x6a s ALA 56 N -1.56 2.01 0.83 3.66 0.00 -1.26 -4.84 121.76 120.60 1x6a s ALA 56 Ca 0.77 -1.95 -0.12 0.00 0.00 0.00 0.00 51.96 50.67 1x6a s ALA 56 Cb -0.31 -4.60 0.09 0.00 0.00 0.00 0.00 23.12 18.30 1x6a s ALA 56 CO 0.34 -4.63 1.17 1.52 0.00 0.00 0.00 175.76 174.16 1x6a s TYR 57 N 9.09 2.86 -0.24 0.00 -0.85 -1.26 -1.64 117.35 125.30 1x6a s TYR 57 Ca 0.65 0.78 -0.03 0.00 -0.52 0.00 0.00 57.07 57.95 1x6a s TYR 57 Cb -0.03 -3.47 0.13 0.00 0.38 0.00 0.00 41.96 38.97 1x6a s TYR 57 CO 0.03 -1.90 0.37 0.00 -1.52 0.00 0.00 175.55 172.53 1x6a s ALA 58 N -3.51 -1.05 0.36 9.51 0.00 -0.38 -4.63 121.76 122.05 1x6a s ALA 58 Ca 0.62 0.83 -0.05 0.00 0.00 0.00 0.00 51.96 53.36 1x6a s ALA 58 Cb -0.12 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 1x6a s ALA 58 CO 0.50 -1.29 0.63 -1.17 0.00 0.00 0.00 175.76 174.43 1x6a s LEU 59 N 2.53 3.93 0.20 0.00 2.96 -1.26 -0.78 118.68 126.26 1x6a s LEU 59 Ca 0.12 0.78 0.07 0.00 -0.22 0.00 0.00 54.13 54.89 1x6a s LEU 59 Cb -0.15 -3.65 -0.05 0.00 0.50 0.00 0.00 46.19 42.84 1x6a s LEU 59 CO -0.17 -0.32 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.71 1x6a s VAL 60 N -2.30 1.68 -2.00 1.68 1.01 -1.21 -4.97 120.40 114.31 1x6a s VAL 60 Ca 0.45 -2.19 0.01 0.00 0.00 0.00 0.00 61.98 60.25 1x6a s VAL 60 Cb -0.10 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.29 1x6a s VAL 60 CO 0.34 -0.61 0.49 0.00 0.00 0.00 0.00 175.10 175.32 1x6a n GLN 61 N -0.35 0.04 -4.04 2.72 0.00 -1.26 -4.64 117.38 109.84 1x6a n GLN 61 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 57.00 56.68 1x6a n GLN 61 Cb 0.60 -1.43 -0.06 0.00 0.00 0.00 0.00 30.24 29.35 1x6a n GLN 61 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1x6a s HIS 62 N -2.00 2.67 -1.48 2.61 2.46 -1.26 -5.03 115.29 113.26 1x6a s HIS 62 Ca 0.02 -0.47 -0.12 0.00 0.47 0.00 0.00 55.06 54.96 1x6a s HIS 62 Cb 0.01 -1.82 0.03 0.00 -0.13 0.00 0.00 32.58 30.66 1x6a s HIS 62 CO 0.01 0.23 2.38 0.00 -2.47 0.00 0.00 174.74 174.89 1x6a n ALA 63 N -1.23 6.10 -3.14 1.58 0.00 -1.26 -4.83 120.51 117.73 1x6a n ALA 63 Ca -0.01 -3.85 -0.13 0.00 0.00 0.00 0.00 53.44 49.45 1x6a n ALA 63 Cb 0.62 -3.40 -0.08 0.00 0.00 0.00 0.00 19.45 16.59 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 0.07 0.01 0.00 2.01 -1.26 -5.12 115.64 113.77 1x6a s THR 64 Ca 0.52 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 62.01 1x6a s THR 64 Cb 0.15 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.88 1x6a s THR 64 CO -0.07 -0.31 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.18 1x6a s LEU 65 N -1.66 2.08 0.24 4.42 2.96 -1.26 -3.28 118.68 122.18 1x6a s LEU 65 Ca -0.10 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 1x6a s LEU 65 Cb -0.03 -0.73 -0.05 0.00 0.50 0.00 0.00 46.19 45.88 1x6a s LEU 65 CO 0.01 0.13 0.09 -0.31 -1.32 0.00 0.00 176.35 174.96 1x6a s TYR 66 N -0.53 1.42 0.38 5.38 2.02 0.04 -0.81 117.35 125.24 1x6a s TYR 66 Ca 0.05 -1.20 -0.01 0.00 -0.37 0.00 0.00 57.07 55.53 1x6a s TYR 66 Cb -0.07 -0.80 -0.03 0.00 -0.40 0.00 0.00 41.96 40.66 1x6a s TYR 66 CO 0.00 -0.39 0.60 0.00 -1.57 0.00 0.00 175.55 174.20 1x6a h GLY 68 N 0.62 0.92 0.97 0.00 0.00 -1.57 0.52 103.07 104.53 1x6a h GLY 68 Ca -0.49 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 1x6a h GLY 68 CO 0.61 0.12 -0.43 1.70 0.00 0.00 0.00 176.54 178.54 1x6a h LYS 69 N 0.61 -1.17 -0.35 4.80 1.63 -1.95 -2.80 116.57 117.34 1x6a h LYS 69 Ca 0.29 0.08 0.03 0.00 -0.85 0.00 0.00 60.65 60.20 1x6a h LYS 69 Cb 0.21 0.27 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 1x6a h LYS 69 CO -0.20 -0.78 0.23 0.00 -3.45 0.00 0.00 179.45 175.26 1x6a h HIS 71 N 0.35 1.16 -0.36 0.00 -0.00 -0.76 -0.54 115.15 115.00 1x6a h HIS 71 Ca 0.14 -0.12 -0.16 0.00 -0.00 0.00 0.00 60.37 60.23 1x6a h HIS 71 Cb 0.13 -0.34 -0.00 0.00 -0.00 0.00 0.00 27.41 27.20 1x6a h HIS 71 CO -0.00 0.92 -0.40 -0.97 -0.00 0.00 0.00 177.93 177.48 1x6a h ASN 72 N 1.07 0.98 0.07 3.26 -1.24 -1.04 -3.08 115.58 115.61 1x6a h ASN 72 Ca 0.23 -0.48 -0.01 0.00 0.71 0.00 0.00 56.30 56.76 1x6a h ASN 72 Cb 0.32 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.09 1x6a h ASN 72 CO -0.01 1.26 -0.03 -0.08 -1.29 0.00 0.00 177.43 177.29 1x6a h GLU 73 N 0.72 0.00 0.16 6.67 4.81 -0.41 -0.82 114.58 125.71 1x6a h GLU 73 Ca 0.05 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.96 1x6a h GLU 73 Cb 1.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1x6a h GLU 73 CO 0.10 0.03 -1.63 -0.24 -0.73 0.00 0.00 179.01 176.54 1x6a h VAL 74 N 0.00 0.96 0.00 0.32 3.04 -1.05 -3.36 116.25 116.16 1x6a h VAL 74 Ca -0.00 -2.46 -0.13 0.00 -1.01 0.00 0.00 66.70 63.10 1x6a h VAL 74 Cb 0.07 2.74 -0.02 0.00 -2.01 0.00 0.00 31.29 32.07 1x6a h VAL 74 CO 0.00 0.80 -0.60 -0.37 -1.01 0.00 0.00 177.57 176.39 1x6a h VAL 75 N -0.06 1.16 -4.21 1.51 -1.51 -1.43 -3.46 116.25 108.26 1x6a h VAL 75 Ca -0.33 -2.28 -0.52 0.00 -1.23 0.00 0.00 66.70 62.34 1x6a h VAL 75 Cb 1.96 2.33 0.13 0.00 -2.13 0.00 0.00 31.29 33.59 1x6a h VAL 75 CO 0.13 0.59 0.36 -0.44 -1.23 0.00 0.00 177.57 176.98 1x6a s SER 76 N -6.57 4.51 0.00 4.19 0.01 -0.33 -4.81 113.70 110.71 1x6a s SER 76 Ca 0.01 2.14 0.00 0.00 1.31 0.00 0.00 55.95 59.41 1x6a s SER 76 Cb 0.10 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1x6a s SER 76 CO 0.75 -2.04 0.00 0.61 0.41 0.00 0.00 173.24 172.97 1x6a n GLY 77 N -0.17 -1.00 0.00 3.44 0.00 -1.26 -4.98 105.19 101.22 1x6a n GLY 77 Ca 0.12 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 1.30 0.00 1.61 -0.04 -1.26 -4.94 135.00 131.66 1x6a n PRO 78 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 1x6a n PRO 78 Cb 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.53 1x6a n PRO 78 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x6a n SER 79 N -1.32 0.00 0.05 3.54 2.88 -1.26 -3.69 113.62 113.82 1x6a n SER 79 Ca 0.00 -0.10 0.05 0.00 -1.33 0.00 0.00 58.87 57.50 1x6a n SER 79 Cb 0.00 0.00 0.25 0.00 -0.75 0.00 0.00 64.21 63.71 1x6a n SER 79 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x6a n SER 80 N -0.94 0.20 0.00 -3.46 3.41 -1.26 -5.26 113.62 106.31 1x6a n SER 80 Ca 0.02 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1x6a n SER 80 Cb 0.01 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 1x6a n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49