#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 2.40 -4.03 1.61 3.41 -1.26 -4.89 113.62 110.86 2cu8 n SER 2 Ca 0.00 0.14 -0.10 0.00 -0.26 0.00 0.00 58.87 58.65 2cu8 n SER 2 Cb 0.00 -1.40 -0.06 0.00 -0.26 0.00 0.00 64.21 62.49 2cu8 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2cu8 s SER 3 N 8.76 -0.02 -0.31 4.04 0.15 -1.26 -5.12 113.70 119.94 2cu8 s SER 3 Ca 1.06 -1.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.63 2cu8 s SER 3 Cb -0.58 0.55 0.27 0.00 -1.71 0.00 0.00 66.02 64.54 2cu8 s SER 3 CO 0.40 -1.08 1.26 0.61 1.20 0.00 0.00 173.24 175.63 2cu8 n GLY 4 N -0.36 -1.99 2.29 9.45 0.00 -1.26 -5.03 105.19 108.28 2cu8 n GLY 4 Ca -0.01 1.19 -0.30 0.00 0.00 0.00 0.00 46.02 46.89 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 1.70 6.31 -4.55 1.61 3.41 -1.26 -4.97 113.62 115.86 2cu8 n SER 5 Ca 0.02 -3.77 -0.38 0.00 -0.26 0.00 0.00 58.87 54.48 2cu8 n SER 5 Cb 0.71 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 2cu8 n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cu8 s SER 6 N -2.61 5.68 -0.37 4.04 0.01 -1.26 -4.78 113.70 114.41 2cu8 s SER 6 Ca 0.56 -0.27 -0.04 0.00 1.31 0.00 0.00 55.95 57.51 2cu8 s SER 6 Cb 0.45 -2.55 0.20 0.00 0.21 0.00 0.00 66.02 64.34 2cu8 s SER 6 CO -0.05 -2.16 1.01 -0.83 0.41 0.00 0.00 173.24 171.62 2cu8 s GLY 7 N 6.31 -1.72 0.15 3.44 0.00 -1.26 -5.15 107.32 109.09 2cu8 s GLY 7 Ca 0.55 0.53 -0.27 0.00 0.00 0.00 0.00 44.72 45.53 2cu8 s GLY 7 CO 0.12 4.18 0.83 1.06 0.00 0.00 0.00 173.10 179.29 2cu8 s MET 8 N 1.18 4.63 -0.16 2.90 1.00 -1.26 -5.05 119.30 122.54 2cu8 s MET 8 Ca 0.23 1.25 -0.29 0.00 0.00 0.00 0.00 55.69 56.88 2cu8 s MET 8 Cb 0.08 -3.30 0.10 0.00 0.00 0.00 0.00 34.83 31.71 2cu8 s MET 8 CO -0.10 0.46 0.85 0.00 0.00 0.00 0.00 175.02 176.23 2cu8 s ALA 9 N -0.81 -1.86 0.18 3.03 0.00 -1.26 -5.14 121.76 115.91 2cu8 s ALA 9 Ca 0.39 1.62 -0.33 0.00 0.00 0.00 0.00 51.96 53.64 2cu8 s ALA 9 Cb -0.23 -0.67 -0.15 0.00 0.00 0.00 0.00 23.12 22.07 2cu8 s ALA 9 CO 0.27 -0.32 1.36 0.43 0.00 0.00 0.00 175.76 177.50 2cu8 n SER 10 N 1.38 2.24 -4.91 0.00 7.64 -1.26 -4.84 113.62 113.86 2cu8 n SER 10 Ca -0.14 1.13 -0.21 0.00 1.01 0.00 0.00 58.87 60.66 2cu8 n SER 10 Cb 0.57 -1.33 0.07 0.00 -1.01 0.00 0.00 64.21 62.51 2cu8 n SER 10 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2cu8 s LYS 11 N -0.04 2.13 -0.20 1.43 1.02 -1.26 -2.13 119.74 120.69 2cu8 s LYS 11 Ca 0.74 -1.44 -0.07 0.00 0.02 0.00 0.00 55.97 55.22 2cu8 s LYS 11 Cb -0.76 -2.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 2cu8 s LYS 11 CO 0.48 -1.02 0.05 0.00 -0.92 0.00 0.00 175.35 173.94 2cu8 n PRO 13 N 4.05 0.49 -0.06 0.00 -0.04 -1.26 0.16 135.00 138.33 2cu8 n PRO 13 Ca -0.16 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.17 2cu8 n PRO 13 Cb 0.52 -1.16 -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 -0.66 0.29 -0.13 0.54 3.00 -1.26 -4.69 118.16 115.24 2cu8 n LYS 14 Ca 0.04 0.13 0.04 0.00 -0.00 0.00 0.00 58.31 58.52 2cu8 n LYS 14 Cb 0.02 -1.00 0.11 0.00 0.00 0.00 0.00 35.03 34.16 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 -0.21 0.65 -4.40 0.00 2.03 0.42 -4.89 116.55 110.16 2cu8 n ASP 16 Ca 0.09 -1.22 -0.21 0.00 0.52 0.00 0.00 54.79 53.97 2cu8 n ASP 16 Cb 0.44 -1.91 -0.10 0.00 -0.72 0.00 0.00 41.12 38.83 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 -7.21 1.47 -0.64 -0.67 -0.14 -1.24 -4.71 119.74 106.60 2cu8 s LYS 17 Ca 0.01 -1.64 -0.27 0.00 -1.36 0.00 0.00 55.97 52.72 2cu8 s LYS 17 Cb -0.01 -1.42 -0.01 0.00 -1.68 0.00 0.00 37.83 34.71 2cu8 s LYS 17 CO 0.98 0.26 1.70 0.99 -0.76 0.00 0.00 175.35 178.52 2cu8 s THR 18 N -2.63 3.46 0.22 2.17 2.01 -1.26 0.82 115.64 120.42 2cu8 s THR 18 Ca 0.25 0.27 -0.30 0.00 0.31 0.00 0.00 61.69 62.21 2cu8 s THR 18 Cb -0.03 -4.20 -0.10 0.00 0.01 0.00 0.00 72.50 68.18 2cu8 s THR 18 CO 0.10 -1.16 1.44 -0.69 -0.69 0.00 0.00 174.62 173.62 2cu8 s VAL 19 N 8.14 2.78 0.11 3.82 1.01 -0.91 -4.97 120.40 130.38 2cu8 s VAL 19 Ca 0.59 0.63 0.08 0.00 0.00 0.00 0.00 61.98 63.28 2cu8 s VAL 19 Cb -0.11 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2cu8 s VAL 19 CO 0.19 0.09 -0.15 -0.31 0.00 0.00 0.00 175.10 174.92 2cu8 s TYR 20 N 0.28 2.62 0.42 5.22 2.02 -1.26 -4.79 117.35 121.85 2cu8 s TYR 20 Ca 0.61 -0.22 0.28 0.00 -0.37 0.00 0.00 57.07 57.37 2cu8 s TYR 20 Cb -0.41 -1.38 1.42 0.00 -0.40 0.00 0.00 41.96 41.19 2cu8 s TYR 20 CO 0.40 0.41 1.60 0.35 -1.57 0.00 0.00 175.55 176.73 2cu8 h PHE 21 N 3.67 0.62 -0.81 2.71 3.04 -1.95 0.65 116.94 124.86 2cu8 h PHE 21 Ca -0.49 0.03 0.15 0.00 3.98 0.00 0.00 57.97 61.63 2cu8 h PHE 21 Cb 1.17 -0.15 -0.15 0.00 2.56 0.00 0.00 35.95 39.38 2cu8 h PHE 21 CO 0.60 -0.31 -0.27 0.00 -2.02 0.00 0.00 178.31 176.31 2cu8 h ALA 22 N 1.72 0.34 0.00 2.41 0.00 -2.01 -2.05 119.26 119.66 2cu8 h ALA 22 Ca 0.85 0.28 0.00 0.00 0.00 0.00 0.00 54.91 56.04 2cu8 h ALA 22 Cb 2.56 0.75 0.00 0.00 0.00 0.00 0.00 17.79 21.09 2cu8 h ALA 22 CO -0.54 -0.51 -0.00 0.39 0.00 0.00 0.00 179.25 178.59 2cu8 n GLU 23 N -5.50 1.87 -1.93 0.00 1.02 0.68 -5.01 120.64 111.77 2cu8 n GLU 23 Ca 0.10 -2.19 -0.41 0.00 -0.02 0.00 0.00 57.16 54.64 2cu8 n GLU 23 Cb 0.40 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 30.48 2cu8 n GLU 23 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2cu8 s LYS 24 N -2.20 3.07 -0.18 3.49 2.20 0.19 -4.04 119.74 122.27 2cu8 s LYS 24 Ca 0.21 1.32 -0.00 0.00 -0.36 0.00 0.00 55.97 57.14 2cu8 s LYS 24 Cb 0.18 -4.29 0.01 0.00 -1.51 0.00 0.00 37.83 32.22 2cu8 s LYS 24 CO 0.02 -2.18 -0.15 0.54 -0.36 0.00 0.00 175.35 173.22 2cu8 s VAL 25 N 7.93 2.56 0.30 4.02 0.11 -1.09 -4.91 120.40 129.33 2cu8 s VAL 25 Ca 0.81 -0.78 -0.29 0.00 -2.93 0.00 0.00 61.98 58.79 2cu8 s VAL 25 Cb -0.21 -2.10 -0.10 0.00 -1.53 0.00 0.00 36.38 32.44 2cu8 s VAL 25 CO 0.30 0.50 1.13 -0.94 -3.33 0.00 0.00 175.10 172.77 2cu8 s SER 26 N 1.17 7.11 -0.30 3.54 1.04 -1.26 -2.55 113.70 122.45 2cu8 s SER 26 Ca 0.02 2.33 -0.17 0.00 0.48 0.00 0.00 55.95 58.60 2cu8 s SER 26 Cb -0.14 -2.63 0.18 0.00 0.10 0.00 0.00 66.02 63.53 2cu8 s SER 26 CO -0.06 -0.26 1.16 -0.55 0.98 0.00 0.00 173.24 174.51 2cu8 s SER 27 N -0.88 -0.28 -1.57 7.02 0.15 -0.98 -4.51 113.70 112.65 2cu8 s SER 27 Ca 0.47 0.39 -0.02 0.00 0.70 0.00 0.00 55.95 57.49 2cu8 s SER 27 Cb -0.32 1.30 0.01 0.00 -1.71 0.00 0.00 66.02 65.29 2cu8 s SER 27 CO 0.42 -0.06 0.21 0.18 1.20 0.00 0.00 173.24 175.19 2cu8 n LEU 28 N 4.57 -2.01 -0.47 3.45 4.32 -1.26 -0.65 117.00 124.95 2cu8 n LEU 28 Ca -0.09 -0.09 -0.06 0.00 -0.02 0.00 0.00 56.01 55.76 2cu8 n LEU 28 Cb 0.55 -2.78 -0.03 0.00 -1.62 0.00 0.00 43.42 39.54 2cu8 n LEU 28 CO -0.04 -0.05 -0.06 0.61 -1.22 0.00 0.00 177.39 176.64 2cu8 n GLY 29 N -1.14 0.79 3.73 -0.72 0.00 -1.26 -4.99 105.19 101.60 2cu8 n GLY 29 Ca -0.18 -0.31 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 2cu8 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cu8 s LYS 30 N -2.10 2.15 -0.24 1.61 -0.14 0.18 -5.13 119.74 116.07 2cu8 s LYS 30 Ca 0.00 -2.33 0.01 0.00 -1.36 0.00 0.00 55.97 52.30 2cu8 s LYS 30 Cb 0.00 -1.57 0.06 0.00 -1.68 0.00 0.00 37.83 34.64 2cu8 s LYS 30 CO 0.00 -0.30 -0.07 -0.51 -0.76 0.00 0.00 175.35 173.72 2cu8 s ASP 31 N -3.85 3.96 0.38 2.83 1.01 -1.26 -2.31 116.67 117.43 2cu8 s ASP 31 Ca 0.13 -1.21 0.02 0.00 0.71 0.00 0.00 52.55 52.20 2cu8 s ASP 31 Cb 0.03 -1.26 0.02 0.00 1.01 0.00 0.00 42.92 42.72 2cu8 s ASP 31 CO 0.07 -0.22 0.15 0.79 0.21 0.00 0.00 175.17 176.16 2cu8 n TRP 32 N 4.62 -0.04 -3.08 4.23 7.02 -1.06 -4.39 117.44 124.74 2cu8 n TRP 32 Ca -0.13 -1.71 -0.20 0.00 -1.02 0.00 0.00 57.50 54.44 2cu8 n TRP 32 Cb 0.44 -0.28 0.06 0.00 -2.42 0.00 0.00 31.31 29.11 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 -2.11 1.28 -0.42 -5.99 3.76 -1.26 -2.66 115.29 107.89 2cu8 s HIS 33 Ca 0.11 -0.76 0.23 0.00 -0.15 0.00 0.00 55.06 54.49 2cu8 s HIS 33 Cb -0.01 -2.18 0.27 0.00 1.11 0.00 0.00 32.58 31.77 2cu8 s HIS 33 CO 0.07 -1.19 1.39 0.87 -0.85 0.00 0.00 174.74 175.03 2cu8 h LYS 34 N 0.16 0.00 -0.08 1.40 1.57 -1.99 -3.30 116.57 114.34 2cu8 h LYS 34 Ca -0.29 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2cu8 h LYS 34 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 2cu8 h LYS 34 CO 0.41 0.00 -0.01 1.19 -0.57 0.00 0.00 179.45 180.47 2cu8 n PHE 35 N -2.74 0.31 -0.03 -1.35 3.01 -1.26 -4.57 117.46 110.84 2cu8 n PHE 35 Ca 0.03 -0.98 -0.02 0.00 1.01 0.00 0.00 57.45 57.49 2cu8 n PHE 35 Cb 0.52 -0.21 -0.05 0.00 -0.01 0.00 0.00 39.48 39.73 2cu8 n PHE 35 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2cu8 n LEU 37 N -2.13 5.20 -3.97 0.00 7.94 -1.25 -4.76 117.00 118.04 2cu8 n LEU 37 Ca -0.08 -3.03 -0.30 0.00 -1.11 0.00 0.00 56.01 51.49 2cu8 n LEU 37 Cb 0.60 -1.22 -0.16 0.00 0.53 0.00 0.00 43.42 43.17 2cu8 n LEU 37 CO 0.13 1.35 -0.44 -0.54 -1.11 0.00 0.00 177.39 176.78 2cu8 s LYS 38 N 1.79 1.79 0.39 1.96 -0.14 -1.26 -3.27 119.74 121.00 2cu8 s LYS 38 Ca 0.55 -0.95 -0.22 0.00 -1.36 0.00 0.00 55.97 54.00 2cu8 s LYS 38 Cb 0.22 -2.53 -0.15 0.00 -1.68 0.00 0.00 37.83 33.70 2cu8 s LYS 38 CO -0.02 -0.53 0.24 0.00 -0.76 0.00 0.00 175.35 174.29 2cu8 n GLU 40 N 1.10 1.45 -0.09 0.00 2.13 -1.25 -2.62 120.64 121.37 2cu8 n GLU 40 Ca 0.12 -1.16 -0.11 0.00 0.66 0.00 0.00 57.16 56.67 2cu8 n GLU 40 Cb 0.39 -1.48 -0.05 0.00 0.27 0.00 0.00 31.44 30.58 2cu8 n GLU 40 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2cu8 n ARG 41 N 0.24 0.50 -0.10 5.31 3.00 -1.26 -4.71 116.66 119.65 2cu8 n ARG 41 Ca 0.11 0.46 -0.10 0.00 -0.00 0.00 0.00 57.85 58.32 2cu8 n ARG 41 Cb 0.48 -1.64 -0.15 0.00 0.00 0.00 0.00 32.46 31.15 2cu8 n ARG 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cu8 n SER 43 N -2.74 -2.30 -4.35 0.00 7.64 -1.08 -5.05 113.62 105.75 2cu8 n SER 43 Ca -0.32 -0.16 -0.29 0.00 1.01 0.00 0.00 58.87 59.10 2cu8 n SER 43 Cb 1.13 -1.69 -0.14 0.00 -1.01 0.00 0.00 64.21 62.50 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 -4.10 1.63 -0.26 1.43 2.36 -1.26 -4.89 119.74 114.64 2cu8 s LYS 44 Ca 0.03 -1.16 -0.29 0.00 -2.55 0.00 0.00 55.97 51.99 2cu8 s LYS 44 Cb -0.00 -1.90 -0.07 0.00 -1.05 0.00 0.00 37.83 34.81 2cu8 s LYS 44 CO 0.19 0.48 2.23 2.41 1.55 0.00 0.00 175.35 182.21 2cu8 n THR 45 N 1.53 0.28 -2.15 3.43 -1.04 -1.26 -3.64 114.28 111.44 2cu8 n THR 45 Ca -0.17 -0.44 -0.28 0.00 -2.04 0.00 0.00 64.05 61.12 2cu8 n THR 45 Cb 0.52 -2.39 0.16 0.00 -1.82 0.00 0.00 70.33 66.81 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 8.37 2.80 -0.16 -4.42 1.43 -1.20 -5.05 118.68 120.45 2cu8 s LEU 46 Ca 1.03 0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 54.18 2cu8 s LEU 46 Cb -0.44 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 2cu8 s LEU 46 CO 0.38 -2.43 -0.08 -0.89 0.23 0.00 0.00 176.35 173.55 2cu8 s THR 47 N -3.64 3.42 -1.17 5.49 2.01 -1.26 -5.03 115.64 115.47 2cu8 s THR 47 Ca 0.71 -0.52 -0.23 0.00 0.31 0.00 0.00 61.69 61.97 2cu8 s THR 47 Cb -0.04 -2.49 -0.09 0.00 0.01 0.00 0.00 72.50 69.90 2cu8 s THR 47 CO 0.50 0.49 1.94 -2.16 -0.69 0.00 0.00 174.62 174.70 2cu8 s PRO 48 N 0.57 2.50 0.00 4.92 0.04 -1.26 -3.17 135.00 138.59 2cu8 s PRO 48 Ca -0.05 -1.11 0.00 0.00 0.04 0.00 0.00 61.00 59.88 2cu8 s PRO 48 Cb -0.15 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.16 2cu8 s PRO 48 CO 0.03 -3.95 0.00 0.41 0.04 0.00 0.00 177.00 173.53 2cu8 n GLY 49 N 5.87 0.00 0.00 0.56 0.00 -1.26 -4.67 105.19 105.69 2cu8 n GLY 49 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 -1.56 3.64 -0.02 0.00 -1.19 -4.99 105.19 101.07 2cu8 n GLY 50 Ca 0.00 0.81 -0.03 0.00 0.00 0.00 0.00 46.02 46.80 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 -0.14 0.24 1.61 -0.00 -1.26 -4.66 115.29 111.08 2cu8 s HIS 51 Ca 0.00 -0.03 -0.02 0.00 -0.00 0.00 0.00 55.06 55.01 2cu8 s HIS 51 Cb 0.00 0.58 -0.05 0.00 -0.00 0.00 0.00 32.58 33.11 2cu8 s HIS 51 CO 0.00 -0.52 0.46 0.00 -0.00 0.00 0.00 174.74 174.68 2cu8 s ALA 52 N -2.87 3.75 -0.05 -1.38 0.00 -1.22 -4.99 121.76 114.99 2cu8 s ALA 52 Ca 0.11 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.35 2cu8 s ALA 52 Cb 0.01 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 21.03 2cu8 s ALA 52 CO -0.03 0.33 -0.10 -1.83 0.00 0.00 0.00 175.76 174.14 2cu8 s GLU 53 N -3.48 1.38 -0.11 0.00 -1.05 -1.26 -1.22 118.70 112.96 2cu8 s GLU 53 Ca 0.40 -0.33 -0.03 0.00 -0.15 0.00 0.00 54.97 54.87 2cu8 s GLU 53 Cb -0.11 -1.20 0.04 0.00 -0.44 0.00 0.00 34.13 32.43 2cu8 s GLU 53 CO 0.30 0.02 0.04 -1.58 0.95 0.00 0.00 175.26 174.99 2cu8 s HIS 54 N 0.64 0.53 -1.65 4.83 2.46 0.16 -4.80 115.29 117.45 2cu8 s HIS 54 Ca -0.12 -0.27 0.00 0.00 0.47 0.00 0.00 55.06 55.14 2cu8 s HIS 54 Cb -0.14 -0.77 0.00 0.00 -0.13 0.00 0.00 32.58 31.54 2cu8 s HIS 54 CO 0.02 -0.40 0.00 -0.25 -2.47 0.00 0.00 174.74 171.64 2cu8 n ASP 55 N 5.18 -5.26 0.00 9.88 8.00 -1.26 -1.78 116.55 131.32 2cu8 n ASP 55 Ca -0.07 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2cu8 n ASP 55 Cb 0.49 -4.34 0.00 0.00 -0.02 0.00 0.00 41.12 37.26 2cu8 n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cu8 n GLY 56 N -0.95 2.88 3.72 0.44 0.00 -1.26 -5.02 105.19 105.01 2cu8 n GLY 56 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.05 4.36 0.68 1.61 -0.14 -0.73 -4.76 119.74 120.71 2cu8 s LYS 57 Ca 0.00 0.57 -0.14 0.00 -1.36 0.00 0.00 55.97 55.03 2cu8 s LYS 57 Cb 0.00 -3.44 0.01 0.00 -1.68 0.00 0.00 37.83 32.72 2cu8 s LYS 57 CO 0.00 0.13 1.11 -1.25 -0.76 0.00 0.00 175.35 174.57 2cu8 s PRO 58 N 0.69 2.70 -0.24 -1.68 0.04 -1.26 -0.67 135.00 134.58 2cu8 s PRO 58 Ca 0.29 1.35 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 2cu8 s PRO 58 Cb -0.16 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.53 2cu8 s PRO 58 CO 0.12 -1.33 0.54 -0.06 0.04 0.00 0.00 177.00 176.32 2cu8 s PHE 59 N -2.45 -0.96 0.71 0.56 0.08 -0.36 -3.92 117.98 111.63 2cu8 s PHE 59 Ca 0.66 1.83 -0.17 0.00 0.12 0.00 0.00 56.93 59.36 2cu8 s PHE 59 Cb -0.20 0.51 -0.12 0.00 -0.57 0.00 0.00 43.02 42.64 2cu8 s PHE 59 CO 0.44 -0.51 -0.14 0.00 -0.10 0.00 0.00 175.22 174.92 2cu8 h HIS 61 N -0.40 0.88 0.00 0.00 3.86 -1.95 -0.21 115.15 117.33 2cu8 h HIS 61 Ca -0.43 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.82 2cu8 h HIS 61 Cb 1.38 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.61 2cu8 h HIS 61 CO 0.26 0.05 0.00 0.36 0.86 0.00 0.00 177.93 179.45 2cu8 n LYS 62 N -4.93 0.00 0.22 2.45 -0.00 -1.26 -3.32 118.16 111.31 2cu8 n LYS 62 Ca 0.24 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.70 2cu8 n LYS 62 Cb 0.68 0.00 0.62 0.00 -0.00 0.00 0.00 35.03 36.33 2cu8 n LYS 62 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2cu8 h PRO 63 N 0.00 0.00 0.00 -1.58 0.13 -2.00 -3.46 132.00 125.09 2cu8 h PRO 63 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2cu8 h PRO 63 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2cu8 h PRO 63 CO 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 2cu8 h TYR 65 N 0.00 -0.11 -0.55 0.00 5.03 -1.14 -3.00 116.97 117.20 2cu8 h TYR 65 Ca 0.00 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.37 2cu8 h TYR 65 Cb 0.00 0.07 -0.07 0.00 1.55 0.00 0.00 36.73 38.28 2cu8 h TYR 65 CO -0.13 -0.08 -0.33 0.00 -1.32 0.00 0.00 178.16 176.30 2cu8 n ALA 66 N -2.33 -0.35 -0.02 1.82 0.00 0.45 -0.57 120.51 119.50 2cu8 n ALA 66 Ca -0.04 0.47 -0.09 0.00 0.00 0.00 0.00 53.44 53.78 2cu8 n ALA 66 Cb 0.11 0.11 -0.06 0.00 0.00 0.00 0.00 19.45 19.61 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 -1.26 0.00 2.02 -0.44 0.82 112.91 114.05 2cu8 h THR 67 Ca 0.09 0.00 0.40 0.00 0.77 0.00 0.00 66.41 67.67 2cu8 h THR 67 Cb 0.23 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.52 2cu8 h THR 67 CO -0.52 0.00 0.82 -0.07 0.37 0.00 0.00 175.52 176.12 2cu8 h LEU 68 N -0.33 0.28 -6.65 2.58 3.38 -1.17 -3.03 115.31 110.37 2cu8 h LEU 68 Ca 0.02 0.12 -0.60 0.00 0.09 0.00 0.00 57.88 57.52 2cu8 h LEU 68 Cb 0.40 0.10 -0.39 0.00 0.09 0.00 0.00 40.66 40.86 2cu8 h LEU 68 CO -0.28 -0.12 -0.84 -0.36 0.09 0.00 0.00 178.44 176.93 2cu8 s PHE 69 N -5.33 1.63 0.00 1.13 0.40 0.26 -5.09 117.98 110.99 2cu8 s PHE 69 Ca -0.08 -2.40 0.00 0.00 -0.60 0.00 0.00 56.93 53.85 2cu8 s PHE 69 Cb 0.29 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 42.40 2cu8 s PHE 69 CO 0.82 -0.77 0.00 0.41 0.70 0.00 0.00 175.22 176.38 2cu8 n GLY 70 N 3.04 1.35 0.82 4.36 0.00 -0.23 -4.55 105.19 109.99 2cu8 n GLY 70 Ca 0.21 -0.66 -0.02 0.00 0.00 0.00 0.00 46.02 45.56 2cu8 n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cu8 n SER 71 N -0.02 0.65 -0.73 1.61 2.88 -1.26 -5.00 113.62 111.75 2cu8 n SER 71 Ca 0.00 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2cu8 n SER 71 Cb 0.00 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 2cu8 n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cu8 n GLY 72 N 2.98 -3.91 3.43 0.46 0.00 -1.26 -5.04 105.19 101.84 2cu8 n GLY 72 Ca -0.03 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 2cu8 n GLY 72 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cu8 n PRO 73 N 0.28 -3.10 -4.52 1.61 -0.04 -1.26 -5.08 135.00 122.88 2cu8 n PRO 73 Ca 0.00 -1.71 -0.23 0.00 -0.04 0.00 0.00 63.50 61.52 2cu8 n PRO 73 Cb 0.00 -1.60 -0.14 0.00 -0.04 0.00 0.00 33.50 31.72 2cu8 n PRO 73 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cu8 s SER 74 N -4.39 2.13 -0.08 3.54 0.01 -1.26 -5.12 113.70 108.53 2cu8 s SER 74 Ca 0.69 -0.49 -0.28 0.00 1.31 0.00 0.00 55.95 57.18 2cu8 s SER 74 Cb -0.07 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 2cu8 s SER 74 CO 0.53 0.11 0.93 -0.55 0.41 0.00 0.00 173.24 174.67 2cu8 s SER 75 N -1.15 7.20 0.00 2.44 0.15 -1.26 -5.36 113.70 115.72 2cu8 s SER 75 Ca 0.05 1.47 0.00 0.00 0.70 0.00 0.00 55.95 58.17 2cu8 s SER 75 Cb -0.08 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2cu8 s SER 75 CO 0.02 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.72