#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 0.73 0.21 1.61 0.01 -1.26 -5.16 113.70 109.84 1x6a s SER 2 Ca 0.00 0.31 0.04 0.00 1.31 0.00 0.00 55.95 57.61 1x6a s SER 2 Cb 0.00 0.23 -0.05 0.00 0.21 0.00 0.00 66.02 66.41 1x6a s SER 2 CO 0.00 -0.24 -0.03 -0.44 0.41 0.00 0.00 173.24 172.94 1x6a s SER 3 N 2.20 1.87 0.26 2.44 0.01 -1.26 -5.14 113.70 114.08 1x6a s SER 3 Ca 0.02 -1.16 -0.30 0.00 1.31 0.00 0.00 55.95 55.83 1x6a s SER 3 Cb -0.12 -0.00 -0.09 0.00 0.21 0.00 0.00 66.02 66.01 1x6a s SER 3 CO -0.05 -0.46 1.12 -0.83 0.41 0.00 0.00 173.24 173.43 1x6a s GLY 4 N -3.28 3.00 0.04 3.44 0.00 -1.26 -5.06 107.32 104.20 1x6a s GLY 4 Ca 0.25 0.90 -0.00 0.00 0.00 0.00 0.00 44.72 45.87 1x6a s GLY 4 CO 0.07 1.57 -0.03 -1.35 0.00 0.00 0.00 173.10 173.35 1x6a s SER 5 N -0.67 0.39 0.35 1.64 1.04 -1.26 -5.17 113.70 110.02 1x6a s SER 5 Ca 0.46 -0.73 0.07 0.00 0.48 0.00 0.00 55.95 56.23 1x6a s SER 5 Cb -0.32 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.93 1x6a s SER 5 CO 0.40 -0.43 0.44 -0.44 0.98 0.00 0.00 173.24 174.19 1x6a s SER 6 N -2.14 5.76 -0.29 7.02 0.01 -1.26 -5.13 113.70 117.67 1x6a s SER 6 Ca -0.05 -0.30 -0.26 0.00 1.31 0.00 0.00 55.95 56.65 1x6a s SER 6 Cb -0.02 -1.08 0.18 0.00 0.21 0.00 0.00 66.02 65.31 1x6a s SER 6 CO -0.05 -0.46 1.38 -0.83 0.41 0.00 0.00 173.24 173.68 1x6a s GLY 7 N -4.16 0.24 -0.03 3.44 0.00 -1.26 -5.16 107.32 100.39 1x6a s GLY 7 Ca 0.45 3.26 0.01 0.00 0.00 0.00 0.00 44.72 48.45 1x6a s GLY 7 CO 0.30 1.73 -0.04 0.54 0.00 0.00 0.00 173.10 175.63 1x6a s LYS 8 N -0.21 0.62 0.28 2.90 3.01 -1.26 -5.16 119.74 119.93 1x6a s LYS 8 Ca 0.07 -0.10 -0.18 0.00 -1.01 0.00 0.00 55.97 54.75 1x6a s LYS 8 Cb -0.04 -0.66 0.02 0.00 -1.01 0.00 0.00 37.83 36.14 1x6a s LYS 8 CO -0.13 -0.03 0.67 0.34 0.51 0.00 0.00 175.35 176.71 1x6a s ASP 9 N 0.64 -0.18 -0.28 2.83 2.15 -1.26 -5.19 116.67 115.39 1x6a s ASP 9 Ca -0.08 -0.74 -0.22 0.00 0.43 0.00 0.00 52.55 51.94 1x6a s ASP 9 Cb -0.11 0.71 0.10 0.00 -0.30 0.00 0.00 42.92 43.32 1x6a s ASP 9 CO -0.00 -1.34 0.84 -0.47 -0.17 0.00 0.00 175.17 174.03 1x6a s TYR 10 N -3.77 -0.72 0.50 -5.34 5.04 -1.26 -5.17 117.35 106.63 1x6a s TYR 10 Ca 0.14 1.63 -0.18 0.00 -2.44 0.00 0.00 57.07 56.23 1x6a s TYR 10 Cb -0.05 0.38 -0.08 0.00 0.35 0.00 0.00 41.96 42.56 1x6a s TYR 10 CO 0.08 -0.35 0.99 -1.58 -1.34 0.00 0.00 175.55 173.35 1x6a s TRP 11 N 0.69 3.33 0.10 4.97 0.52 -1.26 -4.90 118.94 122.40 1x6a s TRP 11 Ca -0.02 1.51 0.00 0.00 0.02 0.00 0.00 56.10 57.61 1x6a s TRP 11 Cb -0.05 -2.85 0.00 0.00 -1.15 0.00 0.00 33.47 29.42 1x6a s TRP 11 CO -0.07 -0.43 0.00 0.41 0.02 0.00 0.00 176.95 176.87 1x6a n GLY 12 N -1.21 -2.90 3.62 0.98 0.00 -1.26 -5.11 105.19 99.31 1x6a n GLY 12 Ca 0.07 -1.29 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 1x6a n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x6a s LYS 13 N -3.80 1.55 -0.12 1.61 0.00 -1.26 -5.09 119.74 112.63 1x6a s LYS 13 Ca 0.00 -1.12 -0.13 0.00 0.00 0.00 0.00 55.97 54.71 1x6a s LYS 13 Cb 0.00 0.50 -0.12 0.00 0.00 0.00 0.00 37.83 38.22 1x6a s LYS 13 CO 0.00 -0.66 0.33 0.35 0.00 0.00 0.00 175.35 175.37 1x6a h PHE 14 N 2.20 0.00 -1.64 1.78 3.57 -2.03 -3.50 116.94 117.32 1x6a h PHE 14 Ca -0.25 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1x6a h PHE 14 Cb 1.25 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1x6a h PHE 14 CO 0.40 0.47 0.00 0.41 -2.23 0.00 0.00 178.31 177.35 1x6a n GLY 15 N 1.69 2.75 3.81 2.40 0.00 -1.26 -5.16 105.19 109.42 1x6a n GLY 15 Ca -0.05 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.93 4.16 0.25 1.61 0.41 -1.26 -5.04 118.70 117.90 1x6a s GLU 16 Ca 0.00 1.21 0.10 0.00 -0.41 0.00 0.00 54.97 55.86 1x6a s GLU 16 Cb 0.00 -2.23 -0.05 0.00 -1.78 0.00 0.00 34.13 30.07 1x6a s GLU 16 CO 0.00 -0.10 -0.16 -0.06 -0.49 0.00 0.00 175.26 174.45 1x6a s PHE 17 N -2.07 2.00 -0.53 1.61 0.40 -1.26 -3.55 117.98 114.59 1x6a s PHE 17 Ca 0.62 -0.47 -0.25 0.00 -0.60 0.00 0.00 56.93 56.23 1x6a s PHE 17 Cb -0.12 -0.91 0.03 0.00 0.51 0.00 0.00 43.02 42.53 1x6a s PHE 17 CO 0.16 0.53 0.98 0.00 0.70 0.00 0.00 175.22 177.58 1x6a h HIS 19 N 9.27 0.98 -0.77 0.00 2.76 -1.87 0.41 115.15 125.93 1x6a h HIS 19 Ca -0.25 0.03 0.16 0.00 -2.20 0.00 0.00 60.37 58.11 1x6a h HIS 19 Cb 1.07 -0.30 -0.14 0.00 1.55 0.00 0.00 27.41 29.59 1x6a h HIS 19 CO 0.92 0.29 -0.12 0.78 -1.30 0.00 0.00 177.93 178.50 1x6a h GLY 20 N 0.77 0.66 -0.47 5.26 0.00 -1.91 -2.55 103.07 104.83 1x6a h GLY 20 Ca 0.52 0.20 0.00 0.00 0.00 0.00 0.00 47.33 48.06 1x6a h GLY 20 CO -0.29 -0.30 -0.29 0.00 0.00 0.00 0.00 176.54 175.66 1x6a n SER 22 N -0.36 -2.64 -4.00 0.00 7.64 0.13 -5.02 113.62 109.38 1x6a n SER 22 Ca 0.05 -0.68 -0.09 0.00 1.01 0.00 0.00 58.87 59.16 1x6a n SER 22 Cb 0.24 -4.69 -0.10 0.00 -1.01 0.00 0.00 64.21 58.65 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 -6.67 2.18 0.97 -3.43 1.43 -1.23 -4.96 118.68 106.96 1x6a s LEU 23 Ca 0.14 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 1x6a s LEU 23 Cb -0.07 0.29 0.16 0.00 0.03 0.00 0.00 46.19 46.60 1x6a s LEU 23 CO 0.76 -0.46 1.03 -0.11 0.23 0.00 0.00 176.35 177.81 1x6a n LEU 24 N 0.88 2.14 -0.01 1.79 7.94 -1.26 -0.56 117.00 127.93 1x6a n LEU 24 Ca -0.19 0.31 -0.01 0.00 -1.11 0.00 0.00 56.01 55.01 1x6a n LEU 24 Cb 0.58 -1.41 -0.01 0.00 0.53 0.00 0.00 43.42 43.11 1x6a n LEU 24 CO 0.23 -2.50 -0.55 1.15 -1.11 0.00 0.00 177.39 174.61 1x6a n MET 25 N -4.08 1.04 0.00 1.96 0.00 -1.23 -4.64 117.12 110.17 1x6a n MET 25 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.81 1x6a n MET 25 Cb 0.53 -1.03 0.00 0.00 0.00 0.00 0.00 33.22 32.71 1x6a n MET 25 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1x6a n THR 26 N -2.41 0.00 -0.08 3.17 -2.24 -1.26 -4.73 114.28 106.72 1x6a n THR 26 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1x6a n THR 26 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 -2.35 3.70 3.38 0.00 -1.26 -5.04 105.19 103.63 1x6a n GLY 27 Ca 0.00 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.57 0.80 0.07 1.61 0.04 -1.26 -5.09 135.00 130.61 1x6a s PRO 28 Ca 0.00 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1x6a s PRO 28 Cb 0.00 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 1x6a s PRO 28 CO 0.00 -2.50 -0.05 -0.59 0.04 0.00 0.00 177.00 173.91 1x6a s PHE 29 N -2.99 0.69 -0.05 0.56 -0.12 -1.26 -4.62 117.98 110.19 1x6a s PHE 29 Ca 0.64 -0.99 -0.01 0.00 -0.05 0.00 0.00 56.93 56.52 1x6a s PHE 29 Cb -0.18 -0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 41.73 1x6a s PHE 29 CO 0.57 -0.27 0.00 1.41 -0.05 0.00 0.00 175.22 176.88 1x6a s MET 30 N -3.86 2.91 -0.17 1.99 -2.45 -0.95 -4.92 119.30 111.85 1x6a s MET 30 Ca 0.09 -0.49 -0.05 0.00 -1.25 0.00 0.00 55.69 53.99 1x6a s MET 30 Cb 0.07 -2.74 -0.03 0.00 1.25 0.00 0.00 34.83 33.37 1x6a s MET 30 CO -0.08 0.67 0.01 0.08 1.05 0.00 0.00 175.02 176.75 1x6a s VAL 31 N -0.96 4.28 -0.15 10.11 1.01 -1.26 -2.25 120.40 131.17 1x6a s VAL 31 Ca 0.16 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.88 1x6a s VAL 31 Cb -0.11 -2.90 0.05 0.00 0.00 0.00 0.00 36.38 33.42 1x6a s VAL 31 CO 0.05 0.48 0.06 0.00 0.00 0.00 0.00 175.10 175.69 1x6a s ALA 32 N 0.40 0.58 -0.99 5.51 0.00 -0.38 -4.86 121.76 122.01 1x6a s ALA 32 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1x6a s ALA 32 Cb -0.13 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.01 1x6a s ALA 32 CO 0.02 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.20 1x6a n GLY 33 N 5.21 0.91 0.00 0.00 0.00 -1.26 -1.08 105.19 108.98 1x6a n GLY 33 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.73 0.00 -1.65 1.61 -0.58 -1.26 -5.10 120.64 112.94 1x6a n GLU 34 Ca -0.09 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.34 1x6a n GLU 34 Cb 0.56 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.48 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 -2.43 3.13 -0.11 -0.32 0.08 -0.24 -5.06 117.98 113.03 1x6a s PHE 35 Ca 0.00 1.28 0.01 0.00 0.12 0.00 0.00 56.93 58.34 1x6a s PHE 35 Cb 0.00 -2.95 0.02 0.00 -0.57 0.00 0.00 43.02 39.52 1x6a s PHE 35 CO 0.00 -1.31 -0.13 0.21 -0.10 0.00 0.00 175.22 173.89 1x6a s LYS 36 N -5.14 2.06 0.12 0.44 2.20 -1.26 -1.25 119.74 116.92 1x6a s LYS 36 Ca 0.58 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.73 1x6a s LYS 36 Cb -0.13 -1.83 -0.04 0.00 -1.51 0.00 0.00 37.83 34.31 1x6a s LYS 36 CO 0.54 -0.13 -0.05 0.71 -0.36 0.00 0.00 175.35 176.06 1x6a s TYR 37 N 1.20 1.03 0.31 4.03 2.02 -0.96 -4.38 117.35 120.60 1x6a s TYR 37 Ca -0.03 -0.92 -0.28 0.00 -0.37 0.00 0.00 57.07 55.47 1x6a s TYR 37 Cb -0.14 -0.58 -0.10 0.00 -0.40 0.00 0.00 41.96 40.75 1x6a s TYR 37 CO -0.04 -0.14 1.14 -1.01 -1.57 0.00 0.00 175.55 173.93 1x6a s HIS 38 N -3.60 3.40 0.18 2.71 3.76 -1.26 -2.23 115.29 118.25 1x6a s HIS 38 Ca 0.16 1.62 -0.13 0.00 -0.15 0.00 0.00 55.06 56.57 1x6a s HIS 38 Cb 0.05 -3.36 0.09 0.00 1.11 0.00 0.00 32.58 30.47 1x6a s HIS 38 CO -0.02 -0.90 1.84 -1.00 -0.85 0.00 0.00 174.74 173.81 1x6a h PRO 39 N 3.51 0.81 0.00 8.40 0.13 -1.91 -1.80 132.00 141.14 1x6a h PRO 39 Ca -0.47 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1x6a h PRO 39 Cb 1.22 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1x6a h PRO 39 CO 0.66 0.56 0.00 0.39 -0.23 0.00 0.00 178.00 179.38 1x6a n GLU 40 N -4.64 0.13 0.00 0.86 -0.58 -1.26 -0.94 120.64 114.21 1x6a n GLU 40 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1x6a n GLU 40 Cb 0.04 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 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 -0.14 2.59 0.06 0.00 5.36 -0.11 -4.93 117.98 120.80 1x6a s PHE 42 Ca 0.00 -0.84 0.01 0.00 -0.96 0.00 0.00 56.93 55.14 1x6a s PHE 42 Cb 0.00 -4.63 -0.03 0.00 -0.34 0.00 0.00 43.02 38.02 1x6a s PHE 42 CO 0.00 -1.89 -0.05 0.00 -1.46 0.00 0.00 175.22 171.82 1x6a s ALA 43 N 4.73 0.59 0.18 11.12 0.00 -1.26 -1.27 121.76 135.86 1x6a s ALA 43 Ca 0.43 -1.00 -0.32 0.00 0.00 0.00 0.00 51.96 51.07 1x6a s ALA 43 Cb -0.02 0.15 -0.11 0.00 0.00 0.00 0.00 23.12 23.14 1x6a s ALA 43 CO -0.07 -0.19 1.70 0.00 0.00 0.00 0.00 175.76 177.20 1x6a h MET 45 N 7.08 0.26 -0.27 0.00 4.05 -1.35 0.31 114.93 125.01 1x6a h MET 45 Ca -0.43 -0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 58.85 1x6a h MET 45 Cb 1.20 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.94 1x6a h MET 45 CO 0.95 0.17 -0.29 1.03 0.23 0.00 0.00 176.91 179.00 1x6a h SER 46 N 0.27 0.73 -0.00 1.39 0.87 -1.90 -3.36 113.55 111.53 1x6a h SER 46 Ca 0.20 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1x6a h SER 46 Cb 0.21 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1x6a h SER 46 CO -0.23 1.06 -0.52 0.00 -0.53 0.00 0.00 176.83 176.61 1x6a n LYS 48 N -0.81 -1.03 -2.04 0.00 4.01 0.11 -4.94 118.16 113.46 1x6a n LYS 48 Ca 0.04 0.26 -0.41 0.00 -0.51 0.00 0.00 58.31 57.69 1x6a n LYS 48 Cb 0.27 -4.57 -0.02 0.00 -0.51 0.00 0.00 35.03 30.20 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 -1.20 2.59 0.00 -0.18 0.11 -1.26 -4.68 120.40 115.78 1x6a s VAL 49 Ca 0.00 0.57 -0.30 0.00 -2.93 0.00 0.00 61.98 59.32 1x6a s VAL 49 Cb 0.00 -3.36 -0.04 0.00 -1.53 0.00 0.00 36.38 31.45 1x6a s VAL 49 CO 0.00 0.12 1.12 -0.63 -3.33 0.00 0.00 175.10 172.38 1x6a s ILE 50 N -0.83 4.39 0.03 7.04 -1.09 -1.26 -2.45 121.20 127.04 1x6a s ILE 50 Ca 0.52 1.71 -0.21 0.00 -2.23 0.00 0.00 60.65 60.44 1x6a s ILE 50 Cb -0.41 -4.10 -0.06 0.00 -1.58 0.00 0.00 42.46 36.31 1x6a s ILE 50 CO 0.52 0.09 0.63 -0.63 -1.23 0.00 0.00 174.94 174.32 1x6a s ILE 51 N 1.42 4.80 0.39 2.92 1.01 -0.40 -5.00 121.20 126.35 1x6a s ILE 51 Ca 0.55 1.34 0.08 0.00 0.00 0.00 0.00 60.65 62.62 1x6a s ILE 51 Cb -0.25 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1x6a s ILE 51 CO 0.26 0.45 0.21 -1.61 0.00 0.00 0.00 174.94 174.24 1x6a s GLU 52 N -0.44 2.33 0.64 2.79 0.41 -1.26 -4.88 118.70 118.28 1x6a s GLU 52 Ca 0.32 -1.69 0.41 0.00 -0.41 0.00 0.00 54.97 53.60 1x6a s GLU 52 Cb -0.19 -2.12 2.16 0.00 -1.78 0.00 0.00 34.13 32.20 1x6a s GLU 52 CO 0.19 -0.06 2.28 0.22 -0.49 0.00 0.00 175.26 177.40 1x6a h ASP 53 N 1.38 0.00 -0.01 -0.19 3.58 -2.01 -1.17 116.42 118.01 1x6a h ASP 53 Ca -0.43 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.02 1x6a h ASP 53 Cb 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 1x6a h ASP 53 CO 0.65 0.01 -0.15 0.61 -2.88 0.00 0.00 179.24 177.48 1x6a n GLY 54 N -0.88 0.52 0.00 -0.78 0.00 -1.26 -4.95 105.19 97.85 1x6a n GLY 54 Ca -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 0.71 0.00 -3.70 1.61 2.03 -0.44 -5.13 116.55 111.63 1x6a n ASP 55 Ca 0.13 -0.22 -0.12 0.00 0.52 0.00 0.00 54.79 55.11 1x6a n ASP 55 Cb 0.52 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.82 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 -3.26 -1.21 0.45 -1.67 0.00 -1.26 -4.96 121.76 109.85 1x6a s ALA 56 Ca 0.00 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1x6a s ALA 56 Cb 0.00 -0.91 -0.00 0.00 0.00 0.00 0.00 23.12 22.21 1x6a s ALA 56 CO 0.00 -0.26 0.00 2.48 0.00 0.00 0.00 175.76 177.98 1x6a n TYR 57 N 3.53 1.04 -3.76 0.00 4.11 -1.26 -2.92 117.16 117.89 1x6a n TYR 57 Ca -0.18 -2.24 -0.13 0.00 -0.00 0.00 0.00 57.90 55.35 1x6a n TYR 57 Cb 0.56 -0.29 -0.14 0.00 -0.00 0.00 0.00 39.34 39.47 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 -2.79 -0.26 -0.25 -3.48 0.00 0.31 -4.27 121.76 111.02 1x6a s ALA 58 Ca 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 51.96 52.52 1x6a s ALA 58 Cb 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 23.12 22.73 1x6a s ALA 58 CO 0.00 -0.14 -0.02 -1.17 0.00 0.00 0.00 175.76 174.44 1x6a s LEU 59 N 0.95 3.21 0.34 0.00 2.96 -1.26 -1.96 118.68 122.91 1x6a s LEU 59 Ca -0.07 -0.60 -0.02 0.00 -0.22 0.00 0.00 54.13 53.22 1x6a s LEU 59 Cb -0.09 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1x6a s LEU 59 CO -0.05 -0.09 0.57 -0.69 -1.32 0.00 0.00 176.35 174.77 1x6a s VAL 60 N 1.44 5.06 0.15 1.68 1.01 -1.26 -5.01 120.40 123.48 1x6a s VAL 60 Ca 0.03 -0.22 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 1x6a s VAL 60 Cb -0.16 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 1x6a s VAL 60 CO -0.02 -0.50 1.58 1.56 0.00 0.00 0.00 175.10 177.71 1x6a h GLN 61 N 1.04 -0.32 -6.98 2.72 7.50 -1.99 -3.41 115.11 113.65 1x6a h GLN 61 Ca -0.49 0.02 -0.47 0.00 0.50 0.00 0.00 58.65 58.22 1x6a h GLN 61 Cb 1.21 0.07 -0.00 0.00 0.05 0.00 0.00 27.48 28.81 1x6a h GLN 61 CO 0.63 -0.21 0.37 -1.58 -1.50 0.00 0.00 178.83 176.54 1x6a s HIS 62 N -5.87 3.35 -0.81 2.96 2.46 -1.26 -4.91 115.29 111.21 1x6a s HIS 62 Ca -0.15 1.66 -0.23 0.00 0.47 0.00 0.00 55.06 56.81 1x6a s HIS 62 Cb 0.12 -2.99 -0.19 0.00 -0.13 0.00 0.00 32.58 29.39 1x6a s HIS 62 CO 0.65 -0.31 2.43 0.00 -2.47 0.00 0.00 174.74 175.05 1x6a n ALA 63 N -0.19 0.63 -3.56 1.58 0.00 -1.26 -4.82 120.51 112.89 1x6a n ALA 63 Ca 0.05 -0.87 -0.09 0.00 0.00 0.00 0.00 53.44 52.54 1x6a n ALA 63 Cb 0.51 -2.81 -0.02 0.00 0.00 0.00 0.00 19.45 17.13 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 9.30 0.00 -0.02 0.00 2.01 -1.26 -5.12 115.64 120.55 1x6a s THR 64 Ca 1.14 -0.23 -0.00 0.00 0.31 0.00 0.00 61.69 62.91 1x6a s THR 64 Cb -0.59 -1.28 0.03 0.00 0.01 0.00 0.00 72.50 70.67 1x6a s THR 64 CO 0.34 0.00 0.03 -0.22 -0.69 0.00 0.00 174.62 174.08 1x6a s LEU 65 N -2.69 0.97 0.22 4.42 2.96 -1.26 -4.25 118.68 119.05 1x6a s LEU 65 Ca 0.06 0.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 1x6a s LEU 65 Cb -0.02 -0.09 -0.05 0.00 0.50 0.00 0.00 46.19 46.53 1x6a s LEU 65 CO -0.07 -0.14 0.00 -0.31 -1.32 0.00 0.00 176.35 174.52 1x6a s TYR 66 N 1.20 1.51 0.11 5.38 2.02 -0.83 -0.80 117.35 125.94 1x6a s TYR 66 Ca -0.07 -0.95 -0.11 0.00 -0.37 0.00 0.00 57.07 55.56 1x6a s TYR 66 Cb -0.13 -0.87 -0.06 0.00 -0.40 0.00 0.00 41.96 40.50 1x6a s TYR 66 CO -0.03 -0.09 0.45 0.00 -1.57 0.00 0.00 175.55 174.32 1x6a h GLY 68 N 3.61 1.37 0.83 0.00 0.00 -1.71 -0.30 103.07 106.87 1x6a h GLY 68 Ca -0.49 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 1x6a h GLY 68 CO 0.66 0.27 -0.26 1.70 0.00 0.00 0.00 176.54 178.91 1x6a h LYS 69 N 1.01 -0.60 0.00 4.80 1.63 -1.95 -0.04 116.57 121.42 1x6a h LYS 69 Ca 0.41 0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 60.12 1x6a h LYS 69 Cb 0.28 0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.02 1x6a h LYS 69 CO -0.17 -0.40 -0.63 0.00 -3.45 0.00 0.00 179.45 174.80 1x6a h HIS 71 N 0.00 0.00 -0.76 0.00 -0.00 -0.74 -2.87 115.15 110.79 1x6a h HIS 71 Ca -0.01 0.00 0.16 0.00 -0.00 0.00 0.00 60.37 60.52 1x6a h HIS 71 Cb 1.23 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 28.59 1x6a h HIS 71 CO 0.00 0.32 0.51 -0.97 -0.00 0.00 0.00 177.93 177.79 1x6a h ASN 72 N 0.00 0.35 -0.25 3.26 -1.24 -0.86 0.12 115.58 116.96 1x6a h ASN 72 Ca -0.00 0.02 -0.08 0.00 0.71 0.00 0.00 56.30 56.94 1x6a h ASN 72 Cb 0.66 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.64 1x6a h ASN 72 CO 0.04 0.18 -0.12 -0.08 -1.29 0.00 0.00 177.43 176.16 1x6a h GLU 73 N 0.37 0.66 -0.07 6.67 4.81 -1.65 0.55 114.58 125.92 1x6a h GLU 73 Ca 0.37 -0.21 -0.11 0.00 -0.13 0.00 0.00 59.36 59.28 1x6a h GLU 73 Cb 0.92 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1x6a h GLU 73 CO -0.11 0.76 -0.46 0.28 -0.73 0.00 0.00 179.01 178.75 1x6a h VAL 74 N 0.60 1.33 0.00 0.32 2.07 -0.90 -3.08 116.25 116.58 1x6a h VAL 74 Ca 0.11 -1.62 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 1x6a h VAL 74 Cb 0.55 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1x6a h VAL 74 CO 0.03 0.48 -1.38 1.33 0.02 0.00 0.00 177.57 178.05 1x6a n VAL 75 N -3.99 0.53 -1.62 2.57 0.24 -1.07 -4.95 118.33 110.04 1x6a n VAL 75 Ca -0.02 -0.56 -0.37 0.00 -2.04 0.00 0.00 64.34 61.36 1x6a n VAL 75 Cb 0.50 -0.29 0.07 0.00 -1.47 0.00 0.00 33.84 32.66 1x6a n VAL 75 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1x6a n SER 76 N -2.58 1.61 0.00 -1.34 7.64 0.17 -4.54 113.62 114.58 1x6a n SER 76 Ca -0.03 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.63 1x6a n SER 76 Cb 0.61 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1x6a n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6a n GLY 77 N 0.97 0.28 3.58 0.23 0.00 -1.26 -4.90 105.19 104.09 1x6a n GLY 77 Ca 0.15 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 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 3.01 0.57 1.61 0.04 -1.26 -4.96 135.00 134.00 1x6a s PRO 78 Ca 0.00 -1.34 -0.15 0.00 0.04 0.00 0.00 61.00 59.55 1x6a s PRO 78 Cb 0.00 -5.32 -0.05 0.00 0.04 0.00 0.00 34.50 29.16 1x6a s PRO 78 CO 0.00 -3.31 1.02 0.45 0.04 0.00 0.00 177.00 175.20 1x6a s SER 79 N 5.86 6.24 -1.37 6.66 0.15 -1.26 -4.93 113.70 125.05 1x6a s SER 79 Ca 0.63 1.62 -0.14 0.00 0.70 0.00 0.00 55.95 58.76 1x6a s SER 79 Cb 0.00 -2.51 -0.02 0.00 -1.71 0.00 0.00 66.02 61.78 1x6a s SER 79 CO 0.09 -0.85 2.35 -1.20 1.20 0.00 0.00 173.24 174.82 1x6a n SER 80 N -1.99 4.83 0.00 5.45 7.64 -1.26 -5.21 113.62 123.08 1x6a n SER 80 Ca 0.07 -2.73 0.00 0.00 1.01 0.00 0.00 58.87 57.22 1x6a n SER 80 Cb 0.54 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1x6a n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64