#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 6.45 0.07 1.61 0.15 -1.26 -4.94 113.70 115.78 1x6a s SER 2 Ca 0.00 2.93 -0.21 0.00 0.70 0.00 0.00 55.95 59.37 1x6a s SER 2 Cb 0.00 -2.65 -0.11 0.00 -1.71 0.00 0.00 66.02 61.55 1x6a s SER 2 CO 0.00 -0.81 1.53 -1.28 1.20 0.00 0.00 173.24 173.88 1x6a h SER 3 N 3.73 0.27 0.00 5.45 0.87 -2.11 -3.46 113.55 118.30 1x6a h SER 3 Ca -0.49 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 59.80 1x6a h SER 3 Cb 1.23 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1x6a h SER 3 CO 0.69 0.48 0.00 0.61 -0.53 0.00 0.00 176.83 178.08 1x6a n GLY 4 N -0.40 -0.10 3.34 5.77 0.00 -1.26 -5.20 105.19 107.34 1x6a n GLY 4 Ca -0.05 0.52 -0.11 0.00 0.00 0.00 0.00 46.02 46.38 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 0.07 0.94 1.61 1.04 -1.26 -5.17 113.70 110.92 1x6a s SER 5 Ca 0.00 -1.21 -0.14 0.00 0.48 0.00 0.00 55.95 55.08 1x6a s SER 5 Cb 0.00 0.45 0.16 0.00 0.10 0.00 0.00 66.02 66.73 1x6a s SER 5 CO 0.00 -0.94 1.20 -0.55 0.98 0.00 0.00 173.24 173.93 1x6a s SER 6 N -3.10 3.32 0.00 7.02 0.15 -1.26 -4.97 113.70 114.86 1x6a s SER 6 Ca 0.32 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.64 1x6a s SER 6 Cb 0.04 -1.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.32 1x6a s SER 6 CO 0.10 -2.64 0.00 0.61 1.20 0.00 0.00 173.24 172.52 1x6a n GLY 7 N -2.80 -0.21 3.26 9.45 0.00 -1.26 -5.17 105.19 108.46 1x6a n GLY 7 Ca 0.10 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1x6a n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x6a s LYS 8 N 0.00 0.43 0.14 1.61 2.36 -1.26 -5.18 119.74 117.85 1x6a s LYS 8 Ca 0.00 0.55 -0.01 0.00 -2.55 0.00 0.00 55.97 53.96 1x6a s LYS 8 Cb 0.00 0.18 -0.04 0.00 -1.05 0.00 0.00 37.83 36.92 1x6a s LYS 8 CO 0.00 -0.07 0.08 -0.51 1.55 0.00 0.00 175.35 176.40 1x6a s ASP 9 N 0.35 0.27 0.22 1.43 1.01 -1.26 -5.04 116.67 113.65 1x6a s ASP 9 Ca -0.01 -1.22 0.12 0.00 0.71 0.00 0.00 52.55 52.15 1x6a s ASP 9 Cb -0.03 0.32 -0.02 0.00 1.01 0.00 0.00 42.92 44.19 1x6a s ASP 9 CO -0.01 -0.76 1.39 0.10 0.21 0.00 0.00 175.17 176.11 1x6a h TYR 10 N 2.81 0.00 -3.24 4.23 -0.00 -2.09 -3.43 116.97 115.25 1x6a h TYR 10 Ca -0.35 0.00 -0.54 0.00 -0.00 0.00 0.00 58.73 57.84 1x6a h TYR 10 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.93 1x6a h TYR 10 CO 0.42 0.68 0.52 -1.58 -0.00 0.00 0.00 178.16 178.20 1x6a s TRP 11 N -2.89 3.48 -0.09 0.10 0.52 -1.26 -5.03 118.94 113.77 1x6a s TRP 11 Ca 0.03 1.39 -0.14 0.00 0.02 0.00 0.00 56.10 57.40 1x6a s TRP 11 Cb 0.09 -3.35 0.03 0.00 -1.15 0.00 0.00 33.47 29.09 1x6a s TRP 11 CO 0.77 -0.97 0.36 0.20 0.02 0.00 0.00 176.95 177.33 1x6a s GLY 12 N 1.08 -0.24 0.16 0.98 0.00 -1.26 -5.12 107.32 102.91 1x6a s GLY 12 Ca 0.57 0.80 -0.13 0.00 0.00 0.00 0.00 44.72 45.96 1x6a s GLY 12 CO 0.28 0.63 0.38 0.54 0.00 0.00 0.00 173.10 174.93 1x6a s LYS 13 N -0.39 1.18 -0.01 2.90 1.02 -1.26 -5.07 119.74 118.11 1x6a s LYS 13 Ca -0.05 -0.95 0.12 0.00 0.02 0.00 0.00 55.97 55.11 1x6a s LYS 13 Cb -0.03 0.44 0.35 0.00 -0.52 0.00 0.00 37.83 38.07 1x6a s LYS 13 CO 0.02 -0.46 1.28 0.34 -0.92 0.00 0.00 175.35 175.61 1x6a n PHE 14 N -0.24 0.57 -0.15 3.18 7.35 -1.26 -4.92 117.46 121.99 1x6a n PHE 14 Ca -0.11 -0.27 0.00 0.00 -0.76 0.00 0.00 57.45 56.31 1x6a n PHE 14 Cb 0.63 -0.03 0.00 0.00 0.35 0.00 0.00 39.48 40.43 1x6a n PHE 14 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1x6a n GLY 15 N 1.06 1.09 3.18 7.13 0.00 -1.26 -5.14 105.19 111.25 1x6a n GLY 15 Ca 0.13 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 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 0.77 1.03 0.23 1.61 2.02 -1.26 -5.19 118.70 117.91 1x6a s GLU 16 Ca 0.00 -1.50 0.05 0.00 0.02 0.00 0.00 54.97 53.54 1x6a s GLU 16 Cb 0.00 0.17 -0.05 0.00 0.10 0.00 0.00 34.13 34.35 1x6a s GLU 16 CO 0.00 -0.28 -0.05 -0.06 0.02 0.00 0.00 175.26 174.89 1x6a s PHE 17 N -4.02 1.66 -0.27 1.61 0.40 -1.26 -4.42 117.98 111.68 1x6a s PHE 17 Ca 0.28 -0.79 -0.29 0.00 -0.60 0.00 0.00 56.93 55.53 1x6a s PHE 17 Cb 0.07 -0.92 -0.02 0.00 0.51 0.00 0.00 43.02 42.66 1x6a s PHE 17 CO 0.05 0.12 1.66 0.00 0.70 0.00 0.00 175.22 177.75 1x6a n HIS 19 N 9.08 0.00 0.00 0.00 8.25 -1.21 -0.32 115.22 131.02 1x6a n HIS 19 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1x6a n HIS 19 Cb 0.46 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1x6a n HIS 19 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1x6a n GLY 20 N 0.37 0.00 0.00 -1.41 0.00 -1.26 -4.92 105.19 97.96 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 -0.19 0.00 -4.86 0.00 7.64 0.57 -4.95 113.62 111.82 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 0.05 -1.37 -0.04 0.00 -1.01 0.00 0.00 64.21 61.84 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 3.83 0.72 -3.43 1.43 -1.26 -4.62 118.68 115.35 1x6a s LEU 23 Ca 0.00 1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 54.22 1x6a s LEU 23 Cb 0.00 -4.12 0.03 0.00 0.03 0.00 0.00 46.19 42.13 1x6a s LEU 23 CO 0.00 -0.40 1.08 -0.22 0.23 0.00 0.00 176.35 177.04 1x6a s LEU 24 N -3.74 3.16 0.18 1.79 2.96 -1.26 -0.84 118.68 120.93 1x6a s LEU 24 Ca 0.53 1.81 0.11 0.00 -0.22 0.00 0.00 54.13 56.36 1x6a s LEU 24 Cb -0.10 -4.52 -0.04 0.00 0.50 0.00 0.00 46.19 42.02 1x6a s LEU 24 CO 0.29 -1.76 -0.23 0.00 -1.32 0.00 0.00 176.35 173.33 1x6a s MET 25 N -4.72 1.45 0.00 1.98 0.23 -1.26 -4.83 119.30 112.15 1x6a s MET 25 Ca 0.62 -1.49 0.00 0.00 -1.03 0.00 0.00 55.69 53.79 1x6a s MET 25 Cb -0.17 -1.71 0.00 0.00 -1.53 0.00 0.00 34.83 31.42 1x6a s MET 25 CO 0.52 0.37 0.00 0.25 -2.03 0.00 0.00 175.02 174.12 1x6a n THR 26 N 0.29 0.00 -1.63 3.16 -2.24 -1.26 -5.03 114.28 107.57 1x6a n THR 26 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1x6a n THR 26 Cb 0.56 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 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 0.00 5.16 3.70 3.38 0.00 -1.26 -5.14 105.19 111.03 1x6a n GLY 27 Ca 0.00 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 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 2.55 1.03 0.28 1.61 0.04 -1.26 -5.09 135.00 134.16 1x6a s PRO 28 Ca 0.00 0.81 -0.06 0.00 0.04 0.00 0.00 61.00 61.78 1x6a s PRO 28 Cb 0.00 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 1x6a s PRO 28 CO 0.00 -2.39 0.41 -0.59 0.04 0.00 0.00 177.00 174.46 1x6a s PHE 29 N -2.90 0.81 0.10 0.56 -0.71 -1.26 -4.33 117.98 110.25 1x6a s PHE 29 Ca 0.64 -1.09 0.10 0.00 -1.04 0.00 0.00 56.93 55.55 1x6a s PHE 29 Cb -0.19 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.52 1x6a s PHE 29 CO 0.57 -0.98 -0.27 -1.64 -1.34 0.00 0.00 175.22 171.56 1x6a s MET 30 N -3.65 1.55 -0.17 1.99 -1.94 -1.25 -4.91 119.30 110.91 1x6a s MET 30 Ca 0.29 -1.26 -0.04 0.00 -1.71 0.00 0.00 55.69 52.97 1x6a s MET 30 Cb 0.01 -1.93 -0.02 0.00 2.01 0.00 0.00 34.83 34.90 1x6a s MET 30 CO 0.14 0.47 -0.03 0.08 -0.01 0.00 0.00 175.02 175.67 1x6a s VAL 31 N -0.97 3.82 -0.22 -6.03 1.01 -1.26 -4.02 120.40 112.72 1x6a s VAL 31 Ca 0.13 -0.37 -0.26 0.00 0.00 0.00 0.00 61.98 61.47 1x6a s VAL 31 Cb -0.10 -2.69 0.08 0.00 0.00 0.00 0.00 36.38 33.67 1x6a s VAL 31 CO 0.05 0.47 0.75 0.00 0.00 0.00 0.00 175.10 176.37 1x6a s ALA 32 N 0.64 -1.80 -1.38 5.51 0.00 -1.25 -4.93 121.76 118.54 1x6a s ALA 32 Ca -0.02 1.85 -0.04 0.00 0.00 0.00 0.00 51.96 53.74 1x6a s ALA 32 Cb -0.14 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.06 1x6a s ALA 32 CO 0.02 -0.33 0.35 0.41 0.00 0.00 0.00 175.76 176.21 1x6a n GLY 33 N 2.20 -0.50 4.49 0.00 0.00 -1.26 -2.36 105.19 107.76 1x6a n GLY 33 Ca -0.15 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1x6a n GLY 33 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x6a n GLU 34 N -3.52 0.00 -1.23 1.61 0.28 -1.26 -4.93 120.64 111.59 1x6a n GLU 34 Ca -0.11 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.85 1x6a n GLU 34 Cb 0.60 -4.21 0.02 0.00 1.43 0.00 0.00 31.44 29.28 1x6a n GLU 34 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1x6a n PHE 35 N -2.00 -3.05 -4.29 -1.84 3.72 -1.00 -5.13 117.46 103.87 1x6a n PHE 35 Ca 0.00 -0.40 -0.18 0.00 -0.05 0.00 0.00 57.45 56.82 1x6a n PHE 35 Cb 0.00 -0.13 -0.15 0.00 -0.94 0.00 0.00 39.48 38.26 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 -2.72 0.67 0.15 -1.08 1.02 -1.26 -3.88 119.74 112.63 1x6a s LYS 36 Ca 0.13 -0.26 -0.09 0.00 0.02 0.00 0.00 55.97 55.77 1x6a s LYS 36 Cb -0.01 -0.65 -0.01 0.00 -0.52 0.00 0.00 37.83 36.65 1x6a s LYS 36 CO 0.08 0.14 0.27 0.71 -0.92 0.00 0.00 175.35 175.63 1x6a s TYR 37 N -0.04 0.35 0.72 3.18 2.02 -1.26 -3.33 117.35 119.00 1x6a s TYR 37 Ca 0.01 -0.73 -0.15 0.00 -0.37 0.00 0.00 57.07 55.83 1x6a s TYR 37 Cb -0.05 -0.06 0.03 0.00 -0.40 0.00 0.00 41.96 41.49 1x6a s TYR 37 CO -0.00 -0.69 1.19 -1.01 -1.57 0.00 0.00 175.55 173.47 1x6a s HIS 38 N -3.95 2.16 -1.44 2.71 3.76 -1.26 -3.81 115.29 113.47 1x6a s HIS 38 Ca 0.15 1.59 0.14 0.00 -0.15 0.00 0.00 55.06 56.79 1x6a s HIS 38 Cb 0.04 -3.41 0.72 0.00 1.11 0.00 0.00 32.58 31.03 1x6a s HIS 38 CO -0.02 -2.42 1.38 -0.35 -0.85 0.00 0.00 174.74 172.47 1x6a n PRO 39 N -2.67 0.20 -0.10 8.40 -0.04 -1.26 -1.75 135.00 137.77 1x6a n PRO 39 Ca 0.13 0.15 0.03 0.00 -0.04 0.00 0.00 63.50 63.77 1x6a n PRO 39 Cb 0.51 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.56 1x6a n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x6a n GLU 40 N -1.28 2.80 0.00 0.54 1.02 -1.26 -4.66 120.64 117.80 1x6a n GLU 40 Ca 0.07 -1.80 0.00 0.00 -0.02 0.00 0.00 57.16 55.41 1x6a n GLU 40 Cb 0.11 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1x6a n GLU 40 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x6a s PHE 42 N -0.40 2.95 0.06 0.00 5.36 -1.24 -4.97 117.98 119.74 1x6a s PHE 42 Ca 0.00 -1.16 0.02 0.00 -0.96 0.00 0.00 56.93 54.83 1x6a s PHE 42 Cb 0.00 -4.35 -0.03 0.00 -0.34 0.00 0.00 43.02 38.30 1x6a s PHE 42 CO 0.00 -1.59 -0.08 0.00 -1.46 0.00 0.00 175.22 172.09 1x6a s ALA 43 N 3.30 0.73 0.00 11.12 0.00 -1.26 -0.74 121.76 134.91 1x6a s ALA 43 Ca 0.33 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 51.03 1x6a s ALA 43 Cb -0.06 0.07 -0.06 0.00 0.00 0.00 0.00 23.12 23.07 1x6a s ALA 43 CO -0.06 -0.07 1.53 0.00 0.00 0.00 0.00 175.76 177.15 1x6a h MET 45 N 8.37 0.09 -0.09 0.00 2.86 -1.56 0.28 114.93 124.88 1x6a h MET 45 Ca -0.39 -0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.10 1x6a h MET 45 Cb 1.18 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 1x6a h MET 45 CO 0.93 0.18 -0.55 0.77 1.06 0.00 0.00 176.91 179.29 1x6a h SER 46 N 0.09 0.30 0.00 1.22 0.02 -1.90 -3.36 113.55 109.91 1x6a h SER 46 Ca 0.02 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1x6a h SER 46 Cb 0.21 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1x6a h SER 46 CO 0.01 0.79 -0.05 0.00 -1.14 0.00 0.00 176.83 176.45 1x6a n LYS 48 N -0.82 -1.03 -2.46 0.00 4.76 0.96 -4.98 118.16 114.59 1x6a n LYS 48 Ca 0.00 0.26 -0.39 0.00 -2.87 0.00 0.00 58.31 55.31 1x6a n LYS 48 Cb 0.00 -4.25 -0.04 0.00 -1.84 0.00 0.00 35.03 28.90 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 -1.47 3.49 0.52 -0.18 0.11 -1.26 -4.75 120.40 116.85 1x6a s VAL 49 Ca 0.00 1.35 -0.21 0.00 -2.93 0.00 0.00 61.98 60.20 1x6a s VAL 49 Cb 0.00 -3.81 -0.06 0.00 -1.53 0.00 0.00 36.38 30.98 1x6a s VAL 49 CO 0.00 0.22 1.16 -0.63 -3.33 0.00 0.00 175.10 172.51 1x6a s ILE 50 N -1.34 3.06 -0.45 7.04 -1.09 -1.26 -1.71 121.20 125.46 1x6a s ILE 50 Ca 0.50 0.71 -0.09 0.00 -2.23 0.00 0.00 60.65 59.54 1x6a s ILE 50 Cb -0.29 -3.32 0.10 0.00 -1.58 0.00 0.00 42.46 37.37 1x6a s ILE 50 CO 0.37 -0.09 0.30 -0.63 -1.23 0.00 0.00 174.94 173.66 1x6a s ILE 51 N -1.66 4.24 1.07 2.92 1.01 0.08 -4.83 121.20 124.04 1x6a s ILE 51 Ca 0.70 -1.58 -0.14 0.00 0.00 0.00 0.00 60.65 59.63 1x6a s ILE 51 Cb -0.27 -3.69 0.23 0.00 0.01 0.00 0.00 42.46 38.74 1x6a s ILE 51 CO 0.31 -0.64 1.09 -1.61 0.00 0.00 0.00 174.94 174.09 1x6a s GLU 52 N 1.40 -0.17 0.00 2.79 2.02 -1.26 -4.85 118.70 118.64 1x6a s GLU 52 Ca 0.04 0.40 0.00 0.00 0.02 0.00 0.00 54.97 55.44 1x6a s GLU 52 Cb -0.25 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.31 1x6a s GLU 52 CO 0.01 -3.11 0.44 -0.40 0.02 0.00 0.00 175.26 172.22 1x6a n ASP 53 N -4.42 0.03 -0.86 -0.19 5.75 -1.26 -3.28 116.55 112.31 1x6a n ASP 53 Ca 0.06 -0.91 0.05 0.00 -0.01 0.00 0.00 54.79 53.98 1x6a n ASP 53 Cb 0.58 -0.01 0.12 0.00 -1.03 0.00 0.00 41.12 40.77 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 -0.03 3.21 3.46 6.12 0.00 -1.26 -5.09 105.19 111.61 1x6a n GLY 54 Ca 0.00 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.56 2.47 -0.01 1.61 2.15 -1.21 -5.17 116.67 113.96 1x6a s ASP 55 Ca 0.33 -1.65 0.02 0.00 0.43 0.00 0.00 52.55 51.68 1x6a s ASP 55 Cb 0.34 0.46 -0.03 0.00 -0.30 0.00 0.00 42.92 43.38 1x6a s ASP 55 CO -0.09 -0.92 -0.02 0.00 -0.17 0.00 0.00 175.17 173.98 1x6a s ALA 56 N -3.30 3.21 0.23 3.66 0.00 -1.26 -5.00 121.76 119.30 1x6a s ALA 56 Ca 0.28 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1x6a s ALA 56 Cb 0.03 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.80 1x6a s ALA 56 CO 0.16 0.63 0.10 1.52 0.00 0.00 0.00 175.76 178.17 1x6a s TYR 57 N -1.04 1.37 -0.11 0.00 -0.85 -1.26 -1.01 117.35 114.45 1x6a s TYR 57 Ca 0.18 -1.23 -0.05 0.00 -0.52 0.00 0.00 57.07 55.45 1x6a s TYR 57 Cb -0.11 -0.76 0.05 0.00 0.38 0.00 0.00 41.96 41.51 1x6a s TYR 57 CO 0.09 -0.43 0.25 0.00 -1.52 0.00 0.00 175.55 173.94 1x6a s ALA 58 N -3.88 -0.58 -0.28 9.51 0.00 -0.38 -4.78 121.76 121.38 1x6a s ALA 58 Ca 0.36 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 53.21 1x6a s ALA 58 Cb 0.07 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 1x6a s ALA 58 CO 0.12 -0.20 0.24 -0.51 0.00 0.00 0.00 175.76 175.41 1x6a s LEU 59 N 1.23 4.04 -0.20 0.00 1.43 -1.26 -1.61 118.68 122.30 1x6a s LEU 59 Ca -0.09 0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 52.91 1x6a s LEU 59 Cb -0.10 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 1x6a s LEU 59 CO -0.08 -0.09 0.43 -0.69 0.23 0.00 0.00 176.35 176.14 1x6a s VAL 60 N 1.85 5.18 -1.59 -1.59 1.01 0.10 -4.38 120.40 120.97 1x6a s VAL 60 Ca 0.09 0.76 -0.09 0.00 0.00 0.00 0.00 61.98 62.75 1x6a s VAL 60 Cb -0.16 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.55 1x6a s VAL 60 CO 0.11 0.23 0.22 0.00 0.00 0.00 0.00 175.10 175.66 1x6a n GLN 61 N 4.57 -0.86 -1.64 2.72 6.02 -1.26 -1.36 117.38 125.57 1x6a n GLN 61 Ca -0.07 0.10 -0.04 0.00 -0.01 0.00 0.00 57.00 56.98 1x6a n GLN 61 Cb 0.51 -3.80 -0.01 0.00 1.02 0.00 0.00 30.24 27.96 1x6a n GLN 61 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1x6a n HIS 62 N -4.18 -1.18 -0.30 1.08 1.44 -1.26 -4.68 115.22 106.14 1x6a n HIS 62 Ca -0.14 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.57 1x6a n HIS 62 Cb 0.57 -1.54 0.00 0.00 0.12 0.00 0.00 29.99 29.14 1x6a n HIS 62 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1x6a n ALA 63 N -1.24 0.51 -2.77 1.59 0.00 -0.46 -5.07 120.51 113.06 1x6a n ALA 63 Ca -0.05 -0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.19 1x6a n ALA 63 Cb 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.14 0.40 -0.12 0.00 2.01 -0.94 -5.00 115.64 111.85 1x6a s THR 64 Ca 0.00 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 61.78 1x6a s THR 64 Cb 0.00 -0.35 -0.00 0.00 0.01 0.00 0.00 72.50 72.16 1x6a s THR 64 CO 0.00 0.09 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.59 1x6a s LEU 65 N -0.18 2.23 0.15 4.42 2.96 -1.26 -0.72 118.68 126.28 1x6a s LEU 65 Ca 0.01 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.43 1x6a s LEU 65 Cb -0.02 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 1x6a s LEU 65 CO -0.00 0.14 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.80 1x6a s TYR 66 N 0.46 1.19 0.42 5.38 2.02 -0.64 -1.33 117.35 124.85 1x6a s TYR 66 Ca -0.15 -0.88 -0.01 0.00 -0.37 0.00 0.00 57.07 55.66 1x6a s TYR 66 Cb -0.17 -0.65 -0.02 0.00 -0.40 0.00 0.00 41.96 40.72 1x6a s TYR 66 CO 0.06 -0.06 0.65 0.00 -1.57 0.00 0.00 175.55 174.63 1x6a h GLY 68 N 0.48 0.52 1.42 0.00 0.00 -1.38 0.20 103.07 104.32 1x6a h GLY 68 Ca -0.48 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1x6a h GLY 68 CO 0.60 -0.16 0.17 0.50 0.00 0.00 0.00 176.54 177.65 1x6a h LYS 69 N 0.10 0.74 0.02 4.80 1.79 -1.95 -1.32 116.57 120.74 1x6a h LYS 69 Ca 0.27 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1x6a h LYS 69 Cb 0.41 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1x6a h LYS 69 CO -0.46 0.63 -0.01 0.00 -1.08 0.00 0.00 179.45 178.53 1x6a h HIS 71 N -0.87 0.07 0.00 0.00 -0.00 -0.58 -0.89 115.15 112.88 1x6a h HIS 71 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1x6a h HIS 71 Cb 0.77 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 28.15 1x6a h HIS 71 CO 0.20 0.04 -0.01 -0.97 -0.00 0.00 0.00 177.93 177.19 1x6a h ASN 72 N 0.08 0.00 0.19 3.26 -1.24 -1.33 -2.32 115.58 114.21 1x6a h ASN 72 Ca 0.04 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.79 1x6a h ASN 72 Cb 0.06 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.14 1x6a h ASN 72 CO -0.01 0.01 -1.13 -0.08 -1.29 0.00 0.00 177.43 174.94 1x6a h GLU 73 N 0.00 0.44 0.00 6.67 4.81 -1.29 -2.45 114.58 122.75 1x6a h GLU 73 Ca -0.00 -0.72 -0.04 0.00 -0.13 0.00 0.00 59.36 58.47 1x6a h GLU 73 Cb 0.06 0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1x6a h GLU 73 CO 0.00 1.34 -0.19 -0.39 -0.73 0.00 0.00 179.01 179.04 1x6a h VAL 74 N -0.09 0.56 0.00 0.32 -1.51 -1.47 -2.78 116.25 111.29 1x6a h VAL 74 Ca -0.19 -0.89 0.00 0.00 -1.23 0.00 0.00 66.70 64.39 1x6a h VAL 74 Cb 1.88 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 32.63 1x6a h VAL 74 CO 0.21 0.18 -1.08 1.33 -1.23 0.00 0.00 177.57 176.98 1x6a n VAL 75 N -3.49 0.11 -1.78 7.19 0.24 -1.03 -4.85 118.33 114.73 1x6a n VAL 75 Ca -0.01 -0.21 -0.33 0.00 -2.04 0.00 0.00 64.34 61.75 1x6a n VAL 75 Cb 0.35 0.33 0.05 0.00 -1.47 0.00 0.00 33.84 33.10 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 -3.76 5.13 0.76 -1.34 0.15 -0.92 -4.46 113.70 109.25 1x6a s SER 76 Ca 0.04 2.02 0.00 0.00 0.70 0.00 0.00 55.95 58.70 1x6a s SER 76 Cb 0.15 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 1x6a s SER 76 CO 0.82 -1.62 0.00 0.61 1.20 0.00 0.00 173.24 174.25 1x6a n GLY 77 N -0.47 1.29 3.58 9.45 0.00 -1.26 -4.55 105.19 113.23 1x6a n GLY 77 Ca 0.10 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 1x6a n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6a s PRO 78 N 0.00 2.98 -0.14 1.61 0.04 -1.26 -4.86 135.00 133.37 1x6a s PRO 78 Ca 0.00 1.46 -0.34 0.00 0.04 0.00 0.00 61.00 62.16 1x6a s PRO 78 Cb 0.00 -4.33 0.14 0.00 0.04 0.00 0.00 34.50 30.35 1x6a s PRO 78 CO 0.00 -2.27 1.35 -1.12 0.04 0.00 0.00 177.00 175.00 1x6a s SER 79 N 7.91 -0.04 0.50 6.66 0.01 -1.26 -4.97 113.70 122.51 1x6a s SER 79 Ca 0.86 -0.03 0.01 0.00 1.31 0.00 0.00 55.95 58.10 1x6a s SER 79 Cb -0.23 0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 1x6a s SER 79 CO 0.31 -0.12 0.01 -0.94 0.41 0.00 0.00 173.24 172.91 1x6a s SER 80 N -2.60 4.06 0.00 2.44 1.04 -1.26 -5.00 113.70 112.37 1x6a s SER 80 Ca 0.13 -1.64 0.00 0.00 0.48 0.00 0.00 55.95 54.92 1x6a s SER 80 Cb 0.03 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1x6a s SER 80 CO -0.05 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.94