#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cu8 n SER 2 N 0.00 1.93 -4.55 1.61 2.88 -1.26 -4.97 113.62 109.26 2cu8 n SER 2 Ca 0.00 1.18 -0.34 0.00 -1.33 0.00 0.00 58.87 58.38 2cu8 n SER 2 Cb 0.00 -1.36 -0.11 0.00 -0.75 0.00 0.00 64.21 61.98 2cu8 n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cu8 s SER 3 N -0.36 4.89 0.03 -3.46 0.01 -1.26 -5.01 113.70 108.55 2cu8 s SER 3 Ca 0.59 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.80 2cu8 s SER 3 Cb -0.66 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2cu8 s SER 3 CO 0.59 0.23 0.00 0.61 0.41 0.00 0.00 173.24 175.08 2cu8 n GLY 4 N 3.11 -2.18 2.20 3.44 0.00 -1.26 -4.77 105.19 105.73 2cu8 n GLY 4 Ca -0.18 -1.46 -0.20 0.00 0.00 0.00 0.00 46.02 44.19 2cu8 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2cu8 n SER 5 N -2.48 4.27 -4.47 1.61 3.41 -1.26 -5.05 113.62 109.64 2cu8 n SER 5 Ca -0.00 -3.42 -0.46 0.00 -0.26 0.00 0.00 58.87 54.72 2cu8 n SER 5 Cb 0.04 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 63.55 2cu8 n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2cu8 n SER 6 N -0.67 1.93 0.06 4.04 3.41 -1.26 -4.65 113.62 116.49 2cu8 n SER 6 Ca 0.37 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2cu8 n SER 6 Cb 0.92 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 2cu8 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cu8 n GLY 7 N 6.43 -0.13 2.91 5.00 0.00 -1.26 -5.05 105.19 113.09 2cu8 n GLY 7 Ca 0.44 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.30 2cu8 n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2cu8 n MET 8 N -3.14 -5.40 -4.14 1.61 0.00 -1.26 -4.91 117.12 99.89 2cu8 n MET 8 Ca 0.00 0.57 -0.10 0.00 -0.00 0.00 0.00 57.70 58.16 2cu8 n MET 8 Cb 0.08 -4.81 -0.10 0.00 0.00 0.00 0.00 33.22 28.39 2cu8 n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2cu8 s ALA 9 N -3.22 0.84 0.71 -5.12 0.00 -1.26 -5.03 121.76 108.67 2cu8 s ALA 9 Ca 0.38 -1.23 -0.13 0.00 0.00 0.00 0.00 51.96 50.98 2cu8 s ALA 9 Cb -0.17 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.14 2cu8 s ALA 9 CO 0.50 -0.22 1.10 0.45 0.00 0.00 0.00 175.76 177.59 2cu8 s SER 10 N -2.77 4.80 0.90 0.00 0.15 -1.26 -4.65 113.70 110.88 2cu8 s SER 10 Ca 0.07 1.94 -0.13 0.00 0.70 0.00 0.00 55.95 58.52 2cu8 s SER 10 Cb 0.03 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 61.94 2cu8 s SER 10 CO -0.05 -1.83 1.19 -0.54 1.20 0.00 0.00 173.24 173.21 2cu8 s LYS 11 N -4.44 1.21 -0.19 5.44 1.02 -1.26 -1.74 119.74 119.77 2cu8 s LYS 11 Ca 0.65 0.05 -0.05 0.00 0.02 0.00 0.00 55.97 56.63 2cu8 s LYS 11 Cb -0.19 -1.87 -0.03 0.00 -0.52 0.00 0.00 37.83 35.22 2cu8 s LYS 11 CO 0.48 -2.11 0.01 0.00 -0.92 0.00 0.00 175.35 172.81 2cu8 n PRO 13 N 4.07 0.49 -0.06 0.00 -0.04 -1.26 0.14 135.00 138.34 2cu8 n PRO 13 Ca -0.17 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.16 2cu8 n PRO 13 Cb 0.52 -1.15 -0.04 0.00 -0.04 0.00 0.00 33.50 32.78 2cu8 n PRO 13 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2cu8 n LYS 14 N -0.65 0.32 -0.08 0.54 3.00 -1.26 -4.75 118.16 115.27 2cu8 n LYS 14 Ca 0.04 0.14 0.08 0.00 -0.00 0.00 0.00 58.31 58.56 2cu8 n LYS 14 Cb 0.02 -1.04 0.12 0.00 0.00 0.00 0.00 35.03 34.13 2cu8 n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2cu8 n ASP 16 N -1.14 0.26 -4.51 0.00 2.03 0.37 -4.88 116.55 108.68 2cu8 n ASP 16 Ca 0.13 -1.18 -0.25 0.00 0.52 0.00 0.00 54.79 54.01 2cu8 n ASP 16 Cb 0.57 -1.46 -0.10 0.00 -0.72 0.00 0.00 41.12 39.41 2cu8 n ASP 16 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2cu8 s LYS 17 N -7.08 1.76 -0.73 -0.67 1.02 -1.24 -4.69 119.74 108.10 2cu8 s LYS 17 Ca 0.06 -1.86 -0.26 0.00 0.02 0.00 0.00 55.97 53.93 2cu8 s LYS 17 Cb -0.03 -1.74 0.01 0.00 -0.52 0.00 0.00 37.83 35.55 2cu8 s LYS 17 CO 0.92 0.22 1.51 0.99 -0.92 0.00 0.00 175.35 178.07 2cu8 s THR 18 N -2.56 3.61 0.09 2.17 2.01 -1.26 0.16 115.64 119.86 2cu8 s THR 18 Ca 0.31 0.20 -0.31 0.00 0.31 0.00 0.00 61.69 62.21 2cu8 s THR 18 Cb -0.01 -4.59 -0.10 0.00 0.01 0.00 0.00 72.50 67.81 2cu8 s THR 18 CO 0.16 -1.53 1.90 -0.69 -0.69 0.00 0.00 174.62 173.77 2cu8 s VAL 19 N 6.90 2.71 0.30 3.82 1.01 -0.71 -4.95 120.40 129.48 2cu8 s VAL 19 Ca 0.48 0.01 -0.28 0.00 0.00 0.00 0.00 61.98 62.18 2cu8 s VAL 19 Cb -0.09 -3.01 -0.09 0.00 0.00 0.00 0.00 36.38 33.19 2cu8 s VAL 19 CO 0.14 -0.00 1.05 -0.31 0.00 0.00 0.00 175.10 175.98 2cu8 s TYR 20 N 3.49 3.59 0.54 5.22 1.51 -1.26 -4.51 117.35 125.93 2cu8 s TYR 20 Ca 0.85 1.73 0.23 0.00 -1.01 0.00 0.00 57.07 58.87 2cu8 s TYR 20 Cb -0.45 -3.18 1.41 0.00 -0.11 0.00 0.00 41.96 39.63 2cu8 s TYR 20 CO 0.39 -0.36 2.06 0.35 -1.11 0.00 0.00 175.55 176.89 2cu8 h PHE 21 N 3.55 0.00 -0.22 2.71 3.04 -1.92 1.23 116.94 125.34 2cu8 h PHE 21 Ca -0.47 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.43 2cu8 h PHE 21 Cb 1.21 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.71 2cu8 h PHE 21 CO 0.59 0.00 -0.07 0.00 -2.02 0.00 0.00 178.31 176.81 2cu8 h ALA 22 N 1.82 0.30 -0.56 2.41 0.00 -2.02 -3.14 119.26 118.07 2cu8 h ALA 22 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2cu8 h ALA 22 Cb 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2cu8 h ALA 22 CO -0.00 0.11 0.00 0.39 0.00 0.00 0.00 179.25 179.74 2cu8 n GLU 23 N -4.58 3.38 -2.07 0.00 -0.58 -0.60 -4.98 120.64 111.21 2cu8 n GLU 23 Ca -0.04 -2.71 -0.42 0.00 -0.42 0.00 0.00 57.16 53.56 2cu8 n GLU 23 Cb 0.30 -1.74 -0.03 0.00 -0.57 0.00 0.00 31.44 29.40 2cu8 n GLU 23 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2cu8 s LYS 24 N -1.70 4.25 -0.17 3.49 2.20 0.42 -4.12 119.74 124.11 2cu8 s LYS 24 Ca 0.45 2.16 -0.00 0.00 -0.36 0.00 0.00 55.97 58.22 2cu8 s LYS 24 Cb 0.29 -3.45 0.04 0.00 -1.51 0.00 0.00 37.83 33.19 2cu8 s LYS 24 CO 0.22 -0.60 -0.06 0.54 -0.36 0.00 0.00 175.35 175.10 2cu8 s VAL 25 N 2.03 1.13 -0.09 4.02 0.11 -1.23 -4.99 120.40 121.38 2cu8 s VAL 25 Ca 0.68 -0.64 -0.30 0.00 -2.93 0.00 0.00 61.98 58.80 2cu8 s VAL 25 Cb -0.37 -1.30 -0.02 0.00 -1.53 0.00 0.00 36.38 33.16 2cu8 s VAL 25 CO 0.30 0.14 1.09 -0.94 -3.33 0.00 0.00 175.10 172.36 2cu8 s SER 26 N 1.62 7.16 -0.20 3.54 1.04 -1.26 -2.60 113.70 123.00 2cu8 s SER 26 Ca 0.01 1.65 -0.15 0.00 0.48 0.00 0.00 55.95 57.94 2cu8 s SER 26 Cb -0.15 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.47 2cu8 s SER 26 CO -0.08 -0.51 0.51 -0.55 0.98 0.00 0.00 173.24 173.59 2cu8 s SER 27 N 1.27 -0.58 -0.72 7.02 0.15 -0.55 -4.29 113.70 116.00 2cu8 s SER 27 Ca 0.52 1.06 -0.01 0.00 0.70 0.00 0.00 55.95 58.21 2cu8 s SER 27 Cb -0.21 1.02 0.01 0.00 -1.71 0.00 0.00 66.02 65.13 2cu8 s SER 27 CO 0.19 -0.19 0.06 0.18 1.20 0.00 0.00 173.24 174.68 2cu8 n LEU 28 N 3.38 -0.77 -2.15 3.45 4.32 -1.26 0.05 117.00 124.01 2cu8 n LEU 28 Ca -0.17 0.22 -0.12 0.00 -0.02 0.00 0.00 56.01 55.92 2cu8 n LEU 28 Cb 0.56 -1.73 0.04 0.00 -1.62 0.00 0.00 43.42 40.68 2cu8 n LEU 28 CO 0.08 -0.05 0.12 0.61 -1.22 0.00 0.00 177.39 176.92 2cu8 n GLY 29 N -0.74 0.14 3.62 -0.72 0.00 -1.26 -5.03 105.19 101.20 2cu8 n GLY 29 Ca -0.08 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 2cu8 n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2cu8 s LYS 30 N -5.53 1.65 -0.27 1.61 2.20 0.11 -5.15 119.74 114.37 2cu8 s LYS 30 Ca 0.26 -1.29 -0.03 0.00 -0.36 0.00 0.00 55.97 54.55 2cu8 s LYS 30 Cb -0.11 0.49 0.03 0.00 -1.51 0.00 0.00 37.83 36.72 2cu8 s LYS 30 CO 0.38 -0.70 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.14 2cu8 s ASP 31 N -3.03 4.56 0.32 1.43 1.11 -1.26 -1.48 116.67 118.31 2cu8 s ASP 31 Ca 0.22 -0.90 0.01 0.00 0.18 0.00 0.00 52.55 52.06 2cu8 s ASP 31 Cb -0.01 -1.71 0.01 0.00 1.07 0.00 0.00 42.92 42.28 2cu8 s ASP 31 CO 0.10 -0.16 0.11 0.79 1.18 0.00 0.00 175.17 177.19 2cu8 n TRP 32 N 4.70 -0.00 -4.51 4.23 7.02 -1.07 -4.08 117.44 123.73 2cu8 n TRP 32 Ca -0.16 -1.46 -0.33 0.00 -1.02 0.00 0.00 57.50 54.53 2cu8 n TRP 32 Cb 0.47 -0.23 -0.11 0.00 -2.42 0.00 0.00 31.31 29.02 2cu8 n TRP 32 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 2cu8 s HIS 33 N -1.90 2.92 0.37 -5.99 3.76 -1.26 -3.54 115.29 109.64 2cu8 s HIS 33 Ca 0.08 -0.01 0.24 0.00 -0.15 0.00 0.00 55.06 55.22 2cu8 s HIS 33 Cb -0.01 -1.65 1.31 0.00 1.11 0.00 0.00 32.58 33.34 2cu8 s HIS 33 CO 0.05 0.36 1.70 0.87 -0.85 0.00 0.00 174.74 176.88 2cu8 h LYS 34 N 4.77 0.00 0.00 1.40 1.79 -1.97 0.43 116.57 122.99 2cu8 h LYS 34 Ca -0.49 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 57.84 2cu8 h LYS 34 Cb 1.17 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.79 2cu8 h LYS 34 CO 0.53 0.00 -2.10 1.19 -1.08 0.00 0.00 179.45 177.99 2cu8 n PHE 35 N -2.55 0.00 0.18 -1.35 3.72 -1.26 -4.29 117.46 111.90 2cu8 n PHE 35 Ca -0.02 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.49 2cu8 n PHE 35 Cb 0.32 -0.67 0.10 0.00 -0.94 0.00 0.00 39.48 38.29 2cu8 n PHE 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cu8 n LEU 37 N -3.00 6.83 -3.70 0.00 7.94 0.11 -4.77 117.00 120.41 2cu8 n LEU 37 Ca 0.02 -3.62 -0.19 0.00 -1.11 0.00 0.00 56.01 51.12 2cu8 n LEU 37 Cb 0.57 -1.33 -0.17 0.00 0.53 0.00 0.00 43.42 43.01 2cu8 n LEU 37 CO 0.37 1.40 -0.34 -0.54 -1.11 0.00 0.00 177.39 177.16 2cu8 s LYS 38 N 2.66 -0.05 0.53 1.96 -0.14 -1.26 -3.79 119.74 119.65 2cu8 s LYS 38 Ca 0.56 0.32 -0.18 0.00 -1.36 0.00 0.00 55.97 55.30 2cu8 s LYS 38 Cb 0.15 -0.45 -0.11 0.00 -1.68 0.00 0.00 37.83 35.75 2cu8 s LYS 38 CO -0.04 -0.28 0.35 0.00 -0.76 0.00 0.00 175.35 174.61 2cu8 n GLU 40 N 0.44 0.52 -0.08 0.00 4.07 -1.26 -2.92 120.64 121.41 2cu8 n GLU 40 Ca 0.11 -0.15 -0.10 0.00 -0.06 0.00 0.00 57.16 56.95 2cu8 n GLU 40 Cb 0.46 -1.52 -0.04 0.00 -0.06 0.00 0.00 31.44 30.28 2cu8 n GLU 40 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2cu8 n ARG 41 N -2.11 0.49 0.02 5.31 0.63 -1.26 -4.59 116.66 115.15 2cu8 n ARG 41 Ca -0.02 0.48 -0.05 0.00 -0.92 0.00 0.00 57.85 57.34 2cu8 n ARG 41 Cb 0.52 -1.66 -0.11 0.00 0.45 0.00 0.00 32.46 31.67 2cu8 n ARG 41 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2cu8 n SER 43 N -3.04 -2.10 -4.27 0.00 7.64 -1.15 -5.02 113.62 105.69 2cu8 n SER 43 Ca -0.11 -0.62 -0.28 0.00 1.01 0.00 0.00 58.87 58.87 2cu8 n SER 43 Cb 0.94 -5.11 -0.15 0.00 -1.01 0.00 0.00 64.21 58.88 2cu8 n SER 43 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2cu8 s LYS 44 N -5.37 1.77 -0.31 1.43 2.47 -1.26 -4.87 119.74 113.60 2cu8 s LYS 44 Ca 0.01 -0.88 -0.43 0.00 -1.56 0.00 0.00 55.97 53.11 2cu8 s LYS 44 Cb -0.00 -1.77 -0.18 0.00 -1.46 0.00 0.00 37.83 34.41 2cu8 s LYS 44 CO 0.73 0.48 1.56 2.41 0.16 0.00 0.00 175.35 180.68 2cu8 n THR 45 N 2.30 0.10 -3.32 3.43 -1.04 -1.26 -3.88 114.28 110.61 2cu8 n THR 45 Ca -0.16 -0.02 -0.21 0.00 -2.04 0.00 0.00 64.05 61.62 2cu8 n THR 45 Cb 0.52 -0.71 0.03 0.00 -1.82 0.00 0.00 70.33 68.35 2cu8 n THR 45 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2cu8 s LEU 46 N 2.57 3.04 -0.11 -4.42 1.43 -1.25 -5.00 118.68 114.94 2cu8 s LEU 46 Ca 0.99 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 2cu8 s LEU 46 Cb -1.28 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 43.36 2cu8 s LEU 46 CO 0.70 -1.19 -0.22 -0.89 0.23 0.00 0.00 176.35 174.98 2cu8 s THR 47 N -2.67 1.94 -0.32 5.49 2.01 -1.26 -5.02 115.64 115.81 2cu8 s THR 47 Ca 0.52 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 61.30 2cu8 s THR 47 Cb -0.05 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 2cu8 s THR 47 CO 0.32 0.53 1.68 -2.16 -0.69 0.00 0.00 174.62 174.31 2cu8 s PRO 48 N 0.51 3.48 0.00 4.92 0.04 -1.26 -3.21 135.00 139.48 2cu8 s PRO 48 Ca -0.15 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.26 2cu8 s PRO 48 Cb -0.17 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.24 2cu8 s PRO 48 CO 0.05 -1.68 0.00 0.41 0.04 0.00 0.00 177.00 175.82 2cu8 n GLY 49 N 5.21 1.23 0.00 0.56 0.00 -1.26 -4.87 105.19 106.05 2cu8 n GLY 49 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2cu8 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cu8 n GLY 50 N -0.20 -0.06 3.46 -0.02 0.00 -1.20 -4.98 105.19 102.20 2cu8 n GLY 50 Ca 0.00 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 2cu8 n GLY 50 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2cu8 s HIS 51 N 0.00 0.23 0.43 1.61 -3.43 -1.26 -4.80 115.29 108.06 2cu8 s HIS 51 Ca 0.00 -0.58 0.01 0.00 -0.80 0.00 0.00 55.06 53.68 2cu8 s HIS 51 Cb 0.00 0.15 -0.01 0.00 -1.43 0.00 0.00 32.58 31.29 2cu8 s HIS 51 CO 0.00 -0.85 0.64 0.00 -2.00 0.00 0.00 174.74 172.53 2cu8 s ALA 52 N -3.95 3.77 0.01 -1.38 0.00 -1.02 -4.95 121.76 114.24 2cu8 s ALA 52 Ca 0.16 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2cu8 s ALA 52 Cb 0.01 -2.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 2cu8 s ALA 52 CO 0.01 -0.30 -0.02 -1.83 0.00 0.00 0.00 175.76 173.62 2cu8 s GLU 53 N -4.50 0.21 -0.24 0.00 -1.05 -1.26 -0.34 118.70 111.53 2cu8 s GLU 53 Ca 0.47 -0.32 -0.03 0.00 -0.15 0.00 0.00 54.97 54.93 2cu8 s GLU 53 Cb -0.10 -0.02 0.13 0.00 -0.44 0.00 0.00 34.13 33.69 2cu8 s GLU 53 CO 0.37 -0.00 0.37 -1.58 0.95 0.00 0.00 175.26 175.37 2cu8 s HIS 54 N -0.70 -0.78 -0.74 4.83 2.46 0.15 -4.87 115.29 115.64 2cu8 s HIS 54 Ca -0.07 0.85 0.00 0.00 0.47 0.00 0.00 55.06 56.31 2cu8 s HIS 54 Cb -0.05 0.02 0.00 0.00 -0.13 0.00 0.00 32.58 32.42 2cu8 s HIS 54 CO -0.00 -0.69 0.00 -3.47 -2.47 0.00 0.00 174.74 168.11 2cu8 n ASP 55 N 5.36 -3.34 0.00 9.88 2.03 -1.26 -2.83 116.55 126.39 2cu8 n ASP 55 Ca -0.04 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2cu8 n ASP 55 Cb 0.50 -2.12 0.00 0.00 -0.72 0.00 0.00 41.12 38.78 2cu8 n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2cu8 n GLY 56 N -1.50 3.02 3.74 0.27 0.00 -1.26 -5.02 105.19 104.44 2cu8 n GLY 56 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 2cu8 n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cu8 s LYS 57 N -0.24 4.30 0.72 1.61 -0.14 -1.13 -4.78 119.74 120.08 2cu8 s LYS 57 Ca 0.00 0.52 -0.13 0.00 -1.36 0.00 0.00 55.97 55.01 2cu8 s LYS 57 Cb 0.00 -3.40 0.03 0.00 -1.68 0.00 0.00 37.83 32.78 2cu8 s LYS 57 CO 0.00 0.25 1.10 -1.25 -0.76 0.00 0.00 175.35 174.69 2cu8 s PRO 58 N 0.30 2.52 -0.29 -1.68 0.04 -1.26 -0.67 135.00 133.96 2cu8 s PRO 58 Ca 0.27 1.28 -0.15 0.00 0.04 0.00 0.00 61.00 62.44 2cu8 s PRO 58 Cb -0.16 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.56 2cu8 s PRO 58 CO 0.12 -1.46 0.73 -0.06 0.04 0.00 0.00 177.00 176.38 2cu8 s PHE 59 N -2.62 -1.03 0.74 0.56 0.08 0.54 -4.27 117.98 111.98 2cu8 s PHE 59 Ca 0.64 2.00 -0.17 0.00 0.12 0.00 0.00 56.93 59.52 2cu8 s PHE 59 Cb -0.19 0.62 -0.10 0.00 -0.57 0.00 0.00 43.02 42.78 2cu8 s PHE 59 CO 0.49 -0.51 -0.00 0.00 -0.10 0.00 0.00 175.22 175.10 2cu8 h HIS 61 N -0.48 0.01 0.00 0.00 3.86 -1.93 -1.91 115.15 114.70 2cu8 h HIS 61 Ca -0.44 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 58.82 2cu8 h HIS 61 Cb 1.36 0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.94 2cu8 h HIS 61 CO 0.28 -0.19 0.00 0.36 0.86 0.00 0.00 177.93 179.24 2cu8 n LYS 62 N -5.29 0.00 0.09 2.45 2.85 -1.26 -3.53 118.16 113.47 2cu8 n LYS 62 Ca 0.12 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.48 2cu8 n LYS 62 Cb 0.43 0.00 0.44 0.00 -0.65 0.00 0.00 35.03 35.25 2cu8 n LYS 62 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 2cu8 n PRO 63 N -0.01 0.14 0.00 -1.58 -0.04 -1.26 -4.86 135.00 127.38 2cu8 n PRO 63 Ca 0.00 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 2cu8 n PRO 63 Cb 0.00 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 2cu8 n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cu8 h TYR 65 N 0.00 -0.61 -0.47 0.00 3.20 -1.43 -3.05 116.97 114.61 2cu8 h TYR 65 Ca 0.00 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 2cu8 h TYR 65 Cb 0.00 0.25 -0.06 0.00 1.54 0.00 0.00 36.73 38.46 2cu8 h TYR 65 CO -0.17 -0.34 -0.28 0.00 -1.64 0.00 0.00 178.16 175.73 2cu8 n ALA 66 N -2.52 -0.30 -0.10 1.82 0.00 -0.15 -1.24 120.51 118.02 2cu8 n ALA 66 Ca -0.08 0.40 -0.07 0.00 0.00 0.00 0.00 53.44 53.70 2cu8 n ALA 66 Cb 0.27 0.12 -0.05 0.00 0.00 0.00 0.00 19.45 19.79 2cu8 n ALA 66 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2cu8 h THR 67 N 0.00 0.00 -1.01 0.00 2.02 -0.30 0.15 112.91 113.78 2cu8 h THR 67 Ca 0.08 0.00 0.39 0.00 0.77 0.00 0.00 66.41 67.65 2cu8 h THR 67 Cb 0.19 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.43 2cu8 h THR 67 CO -0.44 0.00 0.56 -0.07 0.37 0.00 0.00 175.52 175.93 2cu8 h LEU 68 N -0.15 0.38 -7.47 2.58 3.38 -1.14 -2.60 115.31 110.28 2cu8 h LEU 68 Ca 0.05 0.24 -0.75 0.00 0.09 0.00 0.00 57.88 57.50 2cu8 h LEU 68 Cb 0.27 0.23 -0.32 0.00 0.09 0.00 0.00 40.66 40.94 2cu8 h LEU 68 CO -0.33 -0.35 0.15 -0.36 0.09 0.00 0.00 178.44 177.64 2cu8 s PHE 69 N -5.56 4.04 0.20 1.13 0.40 0.53 -5.00 117.98 113.72 2cu8 s PHE 69 Ca -0.09 -2.81 -0.22 0.00 -0.60 0.00 0.00 56.93 53.21 2cu8 s PHE 69 Cb 0.33 -3.54 0.05 0.00 0.51 0.00 0.00 43.02 40.37 2cu8 s PHE 69 CO 0.78 -0.85 0.65 0.20 0.70 0.00 0.00 175.22 176.70 2cu8 s GLY 70 N 0.67 -0.43 0.53 4.36 0.00 -0.98 -4.77 107.32 106.70 2cu8 s GLY 70 Ca 0.28 0.20 -0.03 0.00 0.00 0.00 0.00 44.72 45.17 2cu8 s GLY 70 CO -0.10 0.07 0.80 -1.35 0.00 0.00 0.00 173.10 172.52 2cu8 s SER 71 N -2.81 5.73 -0.73 1.64 1.04 -1.26 -4.58 113.70 112.73 2cu8 s SER 71 Ca 0.05 0.56 -0.06 0.00 0.48 0.00 0.00 55.95 56.97 2cu8 s SER 71 Cb -0.03 -1.68 0.01 0.00 0.10 0.00 0.00 66.02 64.43 2cu8 s SER 71 CO -0.06 -0.89 0.63 0.61 0.98 0.00 0.00 173.24 174.52 2cu8 n GLY 72 N -2.36 -1.09 3.73 7.32 0.00 -1.26 -4.93 105.19 106.59 2cu8 n GLY 72 Ca 0.03 0.69 -0.30 0.00 0.00 0.00 0.00 46.02 46.44 2cu8 n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cu8 s PRO 73 N -4.04 1.50 -0.02 1.61 0.04 -1.26 -4.89 135.00 127.93 2cu8 s PRO 73 Ca 0.07 0.90 -0.39 0.00 0.04 0.00 0.00 61.00 61.61 2cu8 s PRO 73 Cb -0.01 -1.83 -0.18 0.00 0.04 0.00 0.00 34.50 32.52 2cu8 s PRO 73 CO 0.85 -2.09 1.27 -1.13 0.04 0.00 0.00 177.00 175.94 2cu8 n SER 74 N -3.79 0.95 -3.64 6.66 3.41 -1.26 -4.94 113.62 111.00 2cu8 n SER 74 Ca 0.07 1.14 -0.06 0.00 -0.26 0.00 0.00 58.87 59.76 2cu8 n SER 74 Cb 0.55 -1.05 -0.07 0.00 -0.26 0.00 0.00 64.21 63.38 2cu8 n SER 74 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cu8 s SER 75 N 0.69 -0.39 0.00 4.04 1.04 -1.26 -5.29 113.70 112.54 2cu8 s SER 75 Ca 0.90 0.70 0.00 0.00 0.48 0.00 0.00 55.95 58.03 2cu8 s SER 75 Cb -1.14 0.85 0.00 0.00 0.10 0.00 0.00 66.02 65.82 2cu8 s SER 75 CO 0.55 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.26