#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6a n SER 2 N 0.00 -1.01 -3.80 1.61 2.88 -1.26 -5.19 113.62 106.85 1x6a n SER 2 Ca 0.00 -1.82 -0.23 0.00 -1.33 0.00 0.00 58.87 55.49 1x6a n SER 2 Cb 0.00 1.72 -0.06 0.00 -0.75 0.00 0.00 64.21 65.12 1x6a n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x6a n SER 3 N -1.42 2.19 0.00 -3.46 7.64 -1.26 -5.14 113.62 112.17 1x6a n SER 3 Ca -0.03 -2.78 0.00 0.00 1.01 0.00 0.00 58.87 57.07 1x6a n SER 3 Cb 0.29 0.55 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 1x6a n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6a n GLY 4 N -0.04 3.62 3.57 0.23 0.00 -1.26 -5.18 105.19 106.13 1x6a n GLY 4 Ca -0.11 -1.65 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.39 0.26 1.61 0.15 -1.26 -5.20 113.70 108.87 1x6a s SER 5 Ca 0.00 -0.16 0.06 0.00 0.70 0.00 0.00 55.95 56.54 1x6a s SER 5 Cb 0.00 0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 64.82 1x6a s SER 5 CO 0.00 -0.91 0.22 -0.24 1.20 0.00 0.00 173.24 173.51 1x6a n SER 6 N -0.37 -0.57 0.00 5.45 2.88 -1.26 -4.99 113.62 114.77 1x6a n SER 6 Ca -0.11 -2.70 0.00 0.00 -1.33 0.00 0.00 58.87 54.73 1x6a n SER 6 Cb 0.62 1.32 0.00 0.00 -0.75 0.00 0.00 64.21 65.40 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 -0.49 1.57 3.36 0.46 0.00 -1.26 -5.03 105.19 103.80 1x6a n GLY 7 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.38 3.40 -2.56 1.61 4.01 -1.26 -4.96 118.16 117.02 1x6a n LYS 8 Ca 0.00 -3.74 -0.41 0.00 -0.51 0.00 0.00 58.31 53.65 1x6a n LYS 8 Cb 0.00 -3.06 -0.02 0.00 -0.51 0.00 0.00 35.03 31.44 1x6a n LYS 8 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1x6a s ASP 9 N 2.58 6.57 0.19 4.39 1.01 -1.26 -4.94 116.67 125.22 1x6a s ASP 9 Ca 0.43 -1.72 -0.18 0.00 0.71 0.00 0.00 52.55 51.79 1x6a s ASP 9 Cb 0.00 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.39 1x6a s ASP 9 CO 0.01 -1.44 0.54 -0.47 0.21 0.00 0.00 175.17 174.02 1x6a s TYR 10 N 4.85 -0.18 -0.64 4.23 5.04 -1.26 -5.12 117.35 124.28 1x6a s TYR 10 Ca 0.49 -0.15 -0.25 0.00 -2.44 0.00 0.00 57.07 54.72 1x6a s TYR 10 Cb 0.01 0.43 0.05 0.00 0.35 0.00 0.00 41.96 42.80 1x6a s TYR 10 CO -0.05 -0.92 1.05 -1.58 -1.34 0.00 0.00 175.55 172.71 1x6a s TRP 11 N -3.86 2.62 -0.42 4.97 0.52 -1.26 -4.91 118.94 116.59 1x6a s TRP 11 Ca 0.08 -0.18 0.04 0.00 0.02 0.00 0.00 56.10 56.06 1x6a s TRP 11 Cb -0.01 -4.32 0.17 0.00 -1.15 0.00 0.00 33.47 28.16 1x6a s TRP 11 CO -0.04 -1.65 0.44 0.20 0.02 0.00 0.00 176.95 175.93 1x6a s GLY 12 N 3.36 0.21 0.00 0.98 0.00 -1.26 -4.96 107.32 105.65 1x6a s GLY 12 Ca 0.30 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1x6a s GLY 12 CO 0.16 2.69 0.24 0.58 0.00 0.00 0.00 173.10 176.76 1x6a n LYS 13 N 3.35 0.30 -0.05 2.90 2.85 -1.26 -4.75 118.16 121.50 1x6a n LYS 13 Ca 0.21 -0.24 0.03 0.00 -1.05 0.00 0.00 58.31 57.25 1x6a n LYS 13 Cb 0.49 -0.70 0.04 0.00 -0.65 0.00 0.00 35.03 34.20 1x6a n LYS 13 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1x6a n PHE 14 N -0.11 0.00 -4.40 5.58 3.72 -1.26 -5.05 117.46 115.94 1x6a n PHE 14 Ca 0.00 -0.54 -0.20 0.00 -0.05 0.00 0.00 57.45 56.66 1x6a n PHE 14 Cb 0.08 -0.07 -0.10 0.00 -0.94 0.00 0.00 39.48 38.45 1x6a n PHE 14 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1x6a s GLY 15 N -1.38 1.66 0.57 1.37 0.00 -1.26 -5.15 107.32 103.13 1x6a s GLY 15 Ca 0.09 -1.80 -0.08 0.00 0.00 0.00 0.00 44.72 42.93 1x6a s GLY 15 CO 0.01 -1.82 0.93 -0.54 0.00 0.00 0.00 173.10 171.68 1x6a s GLU 16 N -3.67 3.44 -0.02 2.90 0.41 -1.26 -4.98 118.70 115.52 1x6a s GLU 16 Ca 0.26 0.44 0.04 0.00 -0.41 0.00 0.00 54.97 55.30 1x6a s GLU 16 Cb 0.01 -2.21 -0.01 0.00 -1.78 0.00 0.00 34.13 30.15 1x6a s GLU 16 CO 0.10 -0.49 -0.15 -0.06 -0.49 0.00 0.00 175.26 174.17 1x6a s PHE 17 N -3.01 1.37 -0.53 1.61 0.40 -1.26 -1.63 117.98 114.92 1x6a s PHE 17 Ca 0.52 -0.29 -0.28 0.00 -0.60 0.00 0.00 56.93 56.28 1x6a s PHE 17 Cb -0.11 -0.90 0.02 0.00 0.51 0.00 0.00 43.02 42.54 1x6a s PHE 17 CO 0.49 -0.06 1.37 0.00 0.70 0.00 0.00 175.22 177.72 1x6a h HIS 19 N 10.69 0.42 -0.32 0.00 2.76 -1.85 0.15 115.15 127.01 1x6a h HIS 19 Ca -0.26 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 57.96 1x6a h HIS 19 Cb 1.09 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.90 1x6a h HIS 19 CO 1.02 0.15 -0.25 0.78 -1.30 0.00 0.00 177.93 178.33 1x6a h GLY 20 N 0.44 -1.73 1.76 5.26 0.00 -1.91 -1.67 103.07 105.22 1x6a h GLY 20 Ca 0.26 0.90 0.00 0.00 0.00 0.00 0.00 47.33 48.50 1x6a h GLY 20 CO -0.24 -0.52 -0.16 0.00 0.00 0.00 0.00 176.54 175.63 1x6a n SER 22 N -1.95 -4.29 -3.97 0.00 2.88 0.51 -5.04 113.62 101.75 1x6a n SER 22 Ca 0.06 -0.26 -0.12 0.00 -1.33 0.00 0.00 58.87 57.21 1x6a n SER 22 Cb 0.40 -2.91 -0.12 0.00 -0.75 0.00 0.00 64.21 60.82 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 -4.27 2.15 0.29 2.46 1.43 -1.08 -4.98 118.68 114.69 1x6a s LEU 23 Ca 0.29 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.75 1x6a s LEU 23 Cb -0.13 -0.05 -0.11 0.00 0.03 0.00 0.00 46.19 45.93 1x6a s LEU 23 CO 0.36 -0.15 1.57 -0.22 0.23 0.00 0.00 176.35 178.14 1x6a s LEU 24 N -0.95 4.35 0.32 1.79 2.96 -1.26 -0.45 118.68 125.44 1x6a s LEU 24 Ca -0.08 2.91 -0.05 0.00 -0.22 0.00 0.00 54.13 56.69 1x6a s LEU 24 Cb -0.06 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 1x6a s LEU 24 CO -0.00 -0.88 0.59 0.00 -1.32 0.00 0.00 176.35 174.74 1x6a s MET 25 N -0.48 3.62 0.14 1.98 0.23 -0.65 -4.81 119.30 119.33 1x6a s MET 25 Ca 0.63 0.02 0.00 0.00 -1.03 0.00 0.00 55.69 55.31 1x6a s MET 25 Cb -0.47 -2.60 0.00 0.00 -1.53 0.00 0.00 34.83 30.23 1x6a s MET 25 CO 0.47 0.15 0.00 0.25 -2.03 0.00 0.00 175.02 173.86 1x6a n THR 26 N -1.18 0.34 0.00 3.16 -2.24 -1.26 -4.76 114.28 108.35 1x6a n THR 26 Ca -0.02 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 1x6a n THR 26 Cb 0.54 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 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 2.27 0.24 3.64 3.38 0.00 -1.26 -5.05 105.19 108.42 1x6a n GLY 27 Ca 0.00 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 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 0.13 0.25 1.61 0.04 -1.26 -5.09 135.00 130.68 1x6a s PRO 28 Ca 0.00 0.57 0.02 0.00 0.04 0.00 0.00 61.00 61.63 1x6a s PRO 28 Cb 0.00 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 1x6a s PRO 28 CO 0.00 -2.95 0.21 -0.59 0.04 0.00 0.00 177.00 173.71 1x6a s PHE 29 N -2.87 1.35 0.15 0.56 -0.71 -1.26 -4.45 117.98 110.75 1x6a s PHE 29 Ca 0.66 -1.46 0.07 0.00 -1.04 0.00 0.00 56.93 55.16 1x6a s PHE 29 Cb -0.20 -0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 41.00 1x6a s PHE 29 CO 0.59 -0.76 -0.15 1.41 -1.34 0.00 0.00 175.22 174.97 1x6a s MET 30 N -3.85 1.14 -0.05 1.99 1.75 -1.06 -4.86 119.30 114.35 1x6a s MET 30 Ca 0.39 -1.35 0.02 0.00 -1.25 0.00 0.00 55.69 53.50 1x6a s MET 30 Cb 0.05 -1.03 0.01 0.00 2.84 0.00 0.00 34.83 36.70 1x6a s MET 30 CO 0.18 0.19 -0.10 0.08 -0.65 0.00 0.00 175.02 174.72 1x6a s VAL 31 N -2.31 0.96 -0.12 10.11 1.01 -1.26 -2.61 120.40 126.18 1x6a s VAL 31 Ca 0.13 -0.39 -0.18 0.00 0.00 0.00 0.00 61.98 61.54 1x6a s VAL 31 Cb -0.04 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.49 1x6a s VAL 31 CO 0.04 0.31 0.47 0.00 0.00 0.00 0.00 175.10 175.92 1x6a s ALA 32 N 0.63 -1.17 -0.54 5.51 0.00 -1.26 -4.91 121.76 120.02 1x6a s ALA 32 Ca -0.12 1.09 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1x6a s ALA 32 Cb -0.14 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.52 1x6a s ALA 32 CO 0.02 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1x6a n GLY 33 N 2.16 0.49 1.86 0.00 0.00 -1.26 -1.74 105.19 106.70 1x6a n GLY 33 Ca -0.16 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 -0.08 0.00 -1.72 1.61 1.02 -1.26 -5.06 120.64 115.14 1x6a n GLU 34 Ca -0.05 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.95 1x6a n GLU 34 Cb 0.45 -2.26 0.07 0.00 -0.02 0.00 0.00 31.44 29.68 1x6a n GLU 34 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1x6a n PHE 35 N -2.53 -3.18 -3.99 -0.32 3.72 -0.71 -5.12 117.46 105.32 1x6a n PHE 35 Ca 0.00 -1.02 -0.16 0.00 -0.05 0.00 0.00 57.45 56.23 1x6a n PHE 35 Cb 0.00 -0.44 -0.15 0.00 -0.94 0.00 0.00 39.48 37.95 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 -4.04 0.30 0.08 -1.08 1.02 -1.26 -4.09 119.74 110.67 1x6a s LYS 36 Ca 0.39 -0.02 -0.11 0.00 0.02 0.00 0.00 55.97 56.25 1x6a s LYS 36 Cb -0.02 -0.38 0.01 0.00 -0.52 0.00 0.00 37.83 36.91 1x6a s LYS 36 CO 0.26 -0.04 0.25 0.71 -0.92 0.00 0.00 175.35 175.61 1x6a s TYR 37 N 0.50 0.03 0.58 3.18 2.02 -1.07 -4.64 117.35 117.94 1x6a s TYR 37 Ca -0.05 -0.35 -0.19 0.00 -0.37 0.00 0.00 57.07 56.11 1x6a s TYR 37 Cb -0.08 0.03 -0.04 0.00 -0.40 0.00 0.00 41.96 41.47 1x6a s TYR 37 CO -0.01 -0.54 1.16 -1.01 -1.57 0.00 0.00 175.55 173.58 1x6a s HIS 38 N -3.39 2.54 0.18 2.71 3.76 -1.26 -2.56 115.29 117.28 1x6a s HIS 38 Ca 0.01 1.54 -0.09 0.00 -0.15 0.00 0.00 55.06 56.36 1x6a s HIS 38 Cb 0.02 -3.35 0.08 0.00 1.11 0.00 0.00 32.58 30.44 1x6a s HIS 38 CO -0.09 -1.85 1.66 -1.00 -0.85 0.00 0.00 174.74 172.61 1x6a h PRO 39 N 0.91 1.08 0.00 8.40 0.13 -1.89 -2.52 132.00 138.11 1x6a h PRO 39 Ca -0.50 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 1x6a h PRO 39 Cb 1.27 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1x6a h PRO 39 CO 0.56 1.03 0.00 0.39 -0.23 0.00 0.00 178.00 179.74 1x6a n GLU 40 N -4.21 0.25 0.00 0.86 -0.58 -1.26 -1.60 120.64 114.10 1x6a n GLU 40 Ca 0.03 0.11 0.10 0.00 -0.42 0.00 0.00 57.16 56.98 1x6a n GLU 40 Cb 0.32 -1.50 0.04 0.00 -0.57 0.00 0.00 31.44 29.73 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 -1.96 2.94 0.08 0.00 5.36 -0.63 -4.92 117.98 118.85 1x6a s PHE 42 Ca 0.19 -1.35 -0.10 0.00 -0.96 0.00 0.00 56.93 54.71 1x6a s PHE 42 Cb 0.16 -4.48 0.01 0.00 -0.34 0.00 0.00 43.02 38.37 1x6a s PHE 42 CO 0.38 -1.66 0.23 0.00 -1.46 0.00 0.00 175.22 172.71 1x6a s ALA 43 N 3.45 -0.39 -0.07 11.12 0.00 -1.26 -0.76 121.76 133.85 1x6a s ALA 43 Ca 0.41 -0.43 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 1x6a s ALA 43 Cb -0.02 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1x6a s ALA 43 CO -0.06 -0.50 1.27 0.00 0.00 0.00 0.00 175.76 176.47 1x6a h MET 45 N 7.80 1.27 -0.85 0.00 -0.00 -1.85 0.39 114.93 121.69 1x6a h MET 45 Ca -0.33 -0.11 -0.01 0.00 -0.00 0.00 0.00 59.70 59.25 1x6a h MET 45 Cb 1.15 -0.27 -0.04 0.00 -0.00 0.00 0.00 31.60 32.44 1x6a h MET 45 CO 0.91 0.88 0.48 0.66 -0.00 0.00 0.00 176.91 179.84 1x6a h SER 46 N 1.30 1.05 -0.00 -0.10 4.64 -1.91 -3.25 113.55 115.27 1x6a h SER 46 Ca 0.34 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1x6a h SER 46 Cb -0.08 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.75 1x6a h SER 46 CO -0.07 0.83 -0.37 0.00 -0.87 0.00 0.00 176.83 176.35 1x6a n LYS 48 N -1.13 -0.28 -2.24 0.00 4.76 0.14 -4.98 118.16 114.43 1x6a n LYS 48 Ca 0.02 0.07 -0.40 0.00 -2.87 0.00 0.00 58.31 55.12 1x6a n LYS 48 Cb 0.13 -4.26 -0.03 0.00 -1.84 0.00 0.00 35.03 29.03 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 -1.43 2.99 0.41 -0.18 0.11 -1.26 -4.70 120.40 116.35 1x6a s VAL 49 Ca 0.00 0.98 -0.24 0.00 -2.93 0.00 0.00 61.98 59.79 1x6a s VAL 49 Cb 0.00 -3.62 -0.08 0.00 -1.53 0.00 0.00 36.38 31.15 1x6a s VAL 49 CO 0.00 0.23 1.15 -0.63 -3.33 0.00 0.00 175.10 172.51 1x6a s ILE 50 N -1.17 3.24 -0.09 7.04 -1.09 -1.26 -1.67 121.20 126.20 1x6a s ILE 50 Ca 0.48 1.00 -0.02 0.00 -2.23 0.00 0.00 60.65 59.88 1x6a s ILE 50 Cb -0.37 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 1x6a s ILE 50 CO 0.48 0.05 0.01 -0.63 -1.23 0.00 0.00 174.94 173.63 1x6a s ILE 51 N -1.49 4.41 0.41 2.92 1.01 0.06 -4.89 121.20 123.64 1x6a s ILE 51 Ca 0.59 -0.21 0.08 0.00 0.00 0.00 0.00 60.65 61.11 1x6a s ILE 51 Cb -0.29 -2.86 -0.00 0.00 0.01 0.00 0.00 42.46 39.32 1x6a s ILE 51 CO 0.36 0.60 0.48 -1.61 0.00 0.00 0.00 174.94 174.77 1x6a s GLU 52 N -0.83 2.74 0.60 2.79 2.02 -1.26 -4.83 118.70 119.94 1x6a s GLU 52 Ca 0.13 -1.33 0.31 0.00 0.02 0.00 0.00 54.97 54.09 1x6a s GLU 52 Cb -0.11 -2.62 1.76 0.00 0.10 0.00 0.00 34.13 33.26 1x6a s GLU 52 CO 0.02 -0.20 2.13 0.22 0.02 0.00 0.00 175.26 177.45 1x6a h ASP 53 N 0.82 0.00 0.12 -0.19 3.58 -2.00 -1.88 116.42 116.87 1x6a h ASP 53 Ca -0.41 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1x6a h ASP 53 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1x6a h ASP 53 CO 0.50 0.00 -1.32 0.61 -2.88 0.00 0.00 179.24 176.16 1x6a n GLY 54 N -1.34 -1.06 3.92 -0.78 0.00 -1.26 -5.00 105.19 99.67 1x6a n GLY 54 Ca 0.00 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.73 5.05 -0.69 1.61 -1.08 -0.71 -5.02 116.67 112.10 1x6a s ASP 55 Ca 0.02 0.60 -0.22 0.00 -0.52 0.00 0.00 52.55 52.42 1x6a s ASP 55 Cb 0.15 -1.34 0.07 0.00 -1.46 0.00 0.00 42.92 40.34 1x6a s ASP 55 CO 0.86 -1.46 1.00 0.00 0.52 0.00 0.00 175.17 176.10 1x6a s ALA 56 N -3.21 3.11 0.73 3.66 0.00 -1.26 -4.84 121.76 119.96 1x6a s ALA 56 Ca 0.58 -1.90 -0.05 0.00 0.00 0.00 0.00 51.96 50.59 1x6a s ALA 56 Cb -0.11 -3.91 0.10 0.00 0.00 0.00 0.00 23.12 19.21 1x6a s ALA 56 CO 0.46 -2.83 1.03 1.52 0.00 0.00 0.00 175.76 175.93 1x6a s TYR 57 N 4.05 2.20 -0.23 0.00 1.13 -1.26 -1.05 117.35 122.19 1x6a s TYR 57 Ca 0.24 0.10 -0.10 0.00 -1.41 0.00 0.00 57.07 55.89 1x6a s TYR 57 Cb -0.15 -3.22 0.09 0.00 -1.10 0.00 0.00 41.96 37.58 1x6a s TYR 57 CO 0.08 -1.66 0.53 0.00 -2.51 0.00 0.00 175.55 172.00 1x6a s ALA 58 N -3.25 -1.49 0.20 9.51 0.00 -0.06 -4.21 121.76 122.46 1x6a s ALA 58 Ca 0.64 1.91 0.08 0.00 0.00 0.00 0.00 51.96 54.59 1x6a s ALA 58 Cb -0.08 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.65 1x6a s ALA 58 CO 0.45 -0.59 0.04 -0.51 0.00 0.00 0.00 175.76 175.15 1x6a s LEU 59 N 2.16 3.41 0.21 0.00 1.43 -1.26 -0.92 118.68 123.71 1x6a s LEU 59 Ca -0.06 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.72 1x6a s LEU 59 Cb -0.10 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.07 1x6a s LEU 59 CO -0.16 0.05 -0.15 -0.69 0.23 0.00 0.00 176.35 175.63 1x6a s VAL 60 N -1.92 1.83 0.25 -1.59 1.01 -1.22 -5.00 120.40 113.77 1x6a s VAL 60 Ca 0.29 -2.22 -0.07 0.00 0.00 0.00 0.00 61.98 59.98 1x6a s VAL 60 Cb -0.09 -2.06 0.31 0.00 0.00 0.00 0.00 36.38 34.54 1x6a s VAL 60 CO 0.20 -0.56 1.62 1.56 0.00 0.00 0.00 175.10 177.92 1x6a h GLN 61 N 2.56 0.06 -7.33 2.72 4.20 -2.01 -3.42 115.11 111.89 1x6a h GLN 61 Ca -0.38 -0.00 -0.50 0.00 0.06 0.00 0.00 58.65 57.82 1x6a h GLN 61 Cb 1.22 -0.01 0.05 0.00 0.30 0.00 0.00 27.48 29.04 1x6a h GLN 61 CO 0.61 0.04 0.41 -3.38 -0.67 0.00 0.00 178.83 175.84 1x6a s HIS 62 N -6.15 3.58 -0.93 2.96 -3.43 -1.26 -4.94 115.29 105.12 1x6a s HIS 62 Ca -0.14 1.33 -0.24 0.00 -0.80 0.00 0.00 55.06 55.21 1x6a s HIS 62 Cb 0.23 -2.74 -0.16 0.00 -1.43 0.00 0.00 32.58 28.48 1x6a s HIS 62 CO 0.76 -0.65 1.92 0.00 -2.00 0.00 0.00 174.74 174.77 1x6a n ALA 63 N -2.54 1.93 -3.25 -1.38 0.00 -1.26 -4.83 120.51 109.19 1x6a n ALA 63 Ca 0.06 -2.97 -0.13 0.00 0.00 0.00 0.00 53.44 50.40 1x6a n ALA 63 Cb 0.54 -3.54 -0.10 0.00 0.00 0.00 0.00 19.45 16.35 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 9.77 0.01 -0.02 0.00 2.01 -1.26 -5.11 115.64 121.04 1x6a s THR 64 Ca 0.67 -0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.61 1x6a s THR 64 Cb 0.05 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 1x6a s THR 64 CO 0.16 -0.07 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.61 1x6a s LEU 65 N -0.21 2.02 0.25 4.42 2.96 -1.26 -3.38 118.68 123.48 1x6a s LEU 65 Ca -0.04 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1x6a s LEU 65 Cb -0.03 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.60 1x6a s LEU 65 CO 0.02 0.23 0.13 -0.31 -1.32 0.00 0.00 176.35 175.09 1x6a s TYR 66 N -0.37 1.42 0.31 5.38 2.02 -0.10 -2.60 117.35 123.41 1x6a s TYR 66 Ca 0.05 -1.32 -0.01 0.00 -0.37 0.00 0.00 57.07 55.43 1x6a s TYR 66 Cb -0.08 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.68 1x6a s TYR 66 CO -0.00 -0.51 0.52 0.00 -1.57 0.00 0.00 175.55 173.98 1x6a h GLY 68 N 1.15 0.95 1.02 0.00 0.00 -1.26 -0.70 103.07 104.23 1x6a h GLY 68 Ca -0.49 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 46.57 1x6a h GLY 68 CO 0.63 0.18 0.55 0.50 0.00 0.00 0.00 176.54 178.41 1x6a h LYS 69 N 0.70 1.27 -0.19 4.80 6.56 -1.96 -0.47 116.57 127.29 1x6a h LYS 69 Ca 0.28 -0.12 -0.05 0.00 -1.06 0.00 0.00 60.65 59.70 1x6a h LYS 69 Cb 0.14 -0.26 -0.00 0.00 -0.57 0.00 0.00 32.23 31.53 1x6a h LYS 69 CO -0.16 0.90 -0.09 0.00 -2.06 0.00 0.00 179.45 178.03 1x6a h HIS 71 N 0.08 1.00 -0.09 0.00 6.17 -0.68 -1.42 115.15 120.22 1x6a h HIS 71 Ca 0.04 0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.16 1x6a h HIS 71 Cb 0.58 -0.33 -0.00 0.00 2.52 0.00 0.00 27.41 30.17 1x6a h HIS 71 CO 0.06 0.64 0.13 -0.97 0.71 0.00 0.00 177.93 178.51 1x6a h ASN 72 N 1.06 0.00 0.00 3.26 -1.24 -1.09 -1.42 115.58 116.16 1x6a h ASN 72 Ca 0.28 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 57.11 1x6a h ASN 72 Cb -0.09 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 38.92 1x6a h ASN 72 CO -0.06 0.00 -2.19 1.21 -1.29 0.00 0.00 177.43 175.10 1x6a n GLU 73 N -3.60 0.68 -0.00 6.67 2.13 -0.60 -4.41 120.64 121.50 1x6a n GLU 73 Ca -0.01 -0.10 -0.04 0.00 0.66 0.00 0.00 57.16 57.68 1x6a n GLU 73 Cb 0.23 -1.52 0.20 0.00 0.27 0.00 0.00 31.44 30.62 1x6a n GLU 73 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1x6a h VAL 74 N 0.00 1.26 0.00 6.31 2.07 -0.51 -2.56 116.25 122.81 1x6a h VAL 74 Ca -0.28 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1x6a h VAL 74 Cb 1.63 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1x6a h VAL 74 CO 0.02 0.39 0.00 1.33 0.02 0.00 0.00 177.57 179.33 1x6a n VAL 75 N -4.14 0.99 -2.43 2.57 0.24 -1.05 -4.20 118.33 110.31 1x6a n VAL 75 Ca -0.00 0.70 -0.38 0.00 -2.04 0.00 0.00 64.34 62.63 1x6a n VAL 75 Cb 0.39 -1.70 -0.03 0.00 -1.47 0.00 0.00 33.84 31.02 1x6a n VAL 75 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1x6a s SER 76 N -4.09 6.11 -0.71 -1.34 0.15 -0.97 -4.90 113.70 107.96 1x6a s SER 76 Ca -0.02 -1.05 0.02 0.00 0.70 0.00 0.00 55.95 55.60 1x6a s SER 76 Cb 0.07 -2.56 0.17 0.00 -1.71 0.00 0.00 66.02 61.99 1x6a s SER 76 CO 0.22 -1.85 0.51 -0.83 1.20 0.00 0.00 173.24 172.49 1x6a s GLY 77 N 5.57 2.84 -0.34 9.45 0.00 -1.26 -5.06 107.32 118.52 1x6a s GLY 77 Ca 0.50 -3.68 -0.28 0.00 0.00 0.00 0.00 44.72 41.26 1x6a s GLY 77 CO -0.03 1.10 2.00 2.56 0.00 0.00 0.00 173.10 178.72 1x6a s PRO 78 N -1.08 3.07 0.92 2.90 0.04 -1.26 -4.96 135.00 134.64 1x6a s PRO 78 Ca 0.23 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 1x6a s PRO 78 Cb -0.11 -4.31 0.15 0.00 0.04 0.00 0.00 34.50 30.27 1x6a s PRO 78 CO -0.11 -2.17 1.11 0.45 0.04 0.00 0.00 177.00 176.32 1x6a s SER 79 N 7.60 3.00 0.27 6.66 0.15 -1.26 -4.95 113.70 125.17 1x6a s SER 79 Ca 0.87 1.91 0.00 0.00 0.70 0.00 0.00 55.95 59.43 1x6a s SER 79 Cb -0.24 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1x6a s SER 79 CO 0.32 -3.01 0.00 -0.24 1.20 0.00 0.00 173.24 171.51 1x6a n SER 80 N -4.16 -2.41 0.00 5.45 2.88 -1.26 -5.33 113.62 108.79 1x6a n SER 80 Ca 0.09 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1x6a n SER 80 Cb 0.53 2.42 0.00 0.00 -0.75 0.00 0.00 64.21 66.41 1x6a n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42