#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cu8 s SER 2 N 0.00 3.86 -0.29 1.61 0.15 -1.26 -5.15 113.70 112.62 2cu8 s SER 2 Ca 0.00 -1.17 -0.14 0.00 0.70 0.00 0.00 55.95 55.34 2cu8 s SER 2 Cb 0.00 -0.40 0.12 0.00 -1.71 0.00 0.00 66.02 64.04 2cu8 s SER 2 CO 0.00 -0.24 0.78 -0.55 1.20 0.00 0.00 173.24 174.42 2cu8 s SER 3 N -3.65 -0.88 -0.66 5.45 0.15 -1.26 -5.05 113.70 107.81 2cu8 s SER 3 Ca 0.33 1.29 -0.00 0.00 0.70 0.00 0.00 55.95 58.27 2cu8 s SER 3 Cb 0.03 1.72 0.42 0.00 -1.71 0.00 0.00 66.02 66.48 2cu8 s SER 3 CO 0.17 -0.19 1.85 0.61 1.20 0.00 0.00 173.24 176.88 2cu8 n GLY 4 N 4.72 5.85 3.75 9.45 0.00 -1.26 -4.98 105.19 122.72 2cu8 n GLY 4 Ca -0.15 -2.45 -0.36 0.00 0.00 0.00 0.00 46.02 43.07 2cu8 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cu8 s SER 5 N -1.97 5.96 -0.09 1.61 0.01 -1.26 -5.09 113.70 112.87 2cu8 s SER 5 Ca 0.58 0.26 0.02 0.00 1.31 0.00 0.00 55.95 58.12 2cu8 s SER 5 Cb 0.47 -1.96 0.01 0.00 0.21 0.00 0.00 66.02 64.75 2cu8 s SER 5 CO -0.14 0.29 -0.14 -0.55 0.41 0.00 0.00 173.24 173.10 2cu8 s SER 6 N -0.30 2.23 -0.41 2.44 0.15 -1.26 -5.06 113.70 111.49 2cu8 s SER 6 Ca 0.10 -0.38 0.08 0.00 0.70 0.00 0.00 55.95 56.44 2cu8 s SER 6 Cb -0.12 -1.00 0.25 0.00 -1.71 0.00 0.00 66.02 63.44 2cu8 s SER 6 CO 0.01 0.03 0.60 0.61 1.20 0.00 0.00 173.24 175.69 2cu8 n GLY 7 N 4.03 2.40 2.85 9.45 0.00 -1.26 -5.04 105.19 117.62 2cu8 n GLY 7 Ca -0.20 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 2cu8 n GLY 7 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2cu8 s MET 8 N -0.92 1.83 -0.14 1.61 0.00 -1.26 -5.06 119.30 115.36 2cu8 s MET 8 Ca 0.35 -2.56 -0.34 0.00 0.00 0.00 0.00 55.69 53.14 2cu8 s MET 8 Cb 0.19 -2.99 0.13 0.00 0.00 0.00 0.00 34.83 32.16 2cu8 s MET 8 CO -0.13 -1.16 1.16 0.00 0.00 0.00 0.00 175.02 174.88 2cu8 s ALA 9 N -0.30 -2.04 0.06 3.16 0.00 -1.26 -5.13 121.76 116.25 2cu8 s ALA 9 Ca 0.19 1.41 -0.37 0.00 0.00 0.00 0.00 51.96 53.20 2cu8 s ALA 9 Cb -0.21 0.02 -0.19 0.00 0.00 0.00 0.00 23.12 22.75 2cu8 s ALA 9 CO -0.04 -0.65 0.98 0.43 0.00 0.00 0.00 175.76 176.48 2cu8 n SER 10 N -0.15 -0.07 -4.99 0.00 7.64 -1.26 -4.76 113.62 110.03 2cu8 n SER 10 Ca -0.02 1.15 -0.18 0.00 1.01 0.00 0.00 58.87 60.83 2cu8 n SER 10 Cb 0.59 -0.96 0.01 0.00 -1.01 0.00 0.00 64.21 62.84 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 -0.21 2.67 -0.21 1.43 1.02 -1.26 -1.52 119.74 121.66 2cu8 s LYS 11 Ca 0.84 -1.38 -0.08 0.00 0.02 0.00 0.00 55.97 55.36 2cu8 s LYS 11 Cb -1.15 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 33.47 2cu8 s LYS 11 CO 0.56 -0.37 0.08 0.00 -0.92 0.00 0.00 175.35 174.70 2cu8 n PRO 13 N 4.12 0.49 -0.03 0.00 -0.04 -1.26 0.17 135.00 138.46 2cu8 n PRO 13 Ca -0.16 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.22 2cu8 n PRO 13 Cb 0.52 -1.05 -0.03 0.00 -0.04 0.00 0.00 33.50 32.90 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 -0.55 0.19 -0.04 0.54 3.00 -1.26 -4.71 118.16 115.33 2cu8 n LYS 14 Ca 0.01 0.08 0.05 0.00 -0.00 0.00 0.00 58.31 58.45 2cu8 n LYS 14 Cb 0.01 -0.83 0.07 0.00 0.00 0.00 0.00 35.03 34.27 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 0.52 -3.35 -4.48 0.00 2.03 0.46 -4.91 116.55 106.80 2cu8 n ASP 16 Ca 0.07 -0.80 -0.24 0.00 0.52 0.00 0.00 54.79 54.34 2cu8 n ASP 16 Cb 0.29 -3.93 -0.10 0.00 -0.72 0.00 0.00 41.12 36.66 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 -6.39 1.69 -0.32 -0.67 1.02 -1.24 -4.65 119.74 109.19 2cu8 s LYS 17 Ca 0.40 -1.82 -0.29 0.00 0.02 0.00 0.00 55.97 54.29 2cu8 s LYS 17 Cb -0.20 -1.65 -0.01 0.00 -0.52 0.00 0.00 37.83 35.45 2cu8 s LYS 17 CO 0.83 0.23 1.52 0.99 -0.92 0.00 0.00 175.35 177.99 2cu8 s THR 18 N -2.62 3.81 -0.19 2.17 2.01 -1.26 0.14 115.64 119.70 2cu8 s THR 18 Ca 0.30 0.87 -0.29 0.00 0.31 0.00 0.00 61.69 62.88 2cu8 s THR 18 Cb -0.01 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.55 2cu8 s THR 18 CO 0.15 -0.51 1.06 -0.69 -0.69 0.00 0.00 174.62 173.94 2cu8 s VAL 19 N 5.43 4.64 0.08 3.82 1.01 -0.58 -4.94 120.40 129.86 2cu8 s VAL 19 Ca 0.67 1.96 -0.04 0.00 0.00 0.00 0.00 61.98 64.57 2cu8 s VAL 19 Cb -0.19 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 2cu8 s VAL 19 CO 0.30 -0.13 0.30 -0.31 0.00 0.00 0.00 175.10 175.26 2cu8 s TYR 20 N 2.95 3.51 0.56 5.22 2.02 -1.26 -4.80 117.35 125.56 2cu8 s TYR 20 Ca 0.46 0.47 0.43 0.00 -0.37 0.00 0.00 57.07 58.06 2cu8 s TYR 20 Cb -0.17 -1.93 1.60 0.00 -0.40 0.00 0.00 41.96 41.07 2cu8 s TYR 20 CO 0.10 0.52 1.65 0.35 -1.57 0.00 0.00 175.55 176.61 2cu8 h PHE 21 N 3.18 0.00 -0.59 2.71 3.57 -1.96 0.76 116.94 124.62 2cu8 h PHE 21 Ca -0.47 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.07 2cu8 h PHE 21 Cb 1.17 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.87 2cu8 h PHE 21 CO 0.63 0.00 0.34 0.00 -2.23 0.00 0.00 178.31 177.04 2cu8 h ALA 22 N 1.14 0.77 -0.14 2.41 0.00 -2.01 -2.93 119.26 118.50 2cu8 h ALA 22 Ca 0.74 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.65 2cu8 h ALA 22 Cb 3.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 20.70 2cu8 h ALA 22 CO -0.01 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.66 2cu8 n GLU 23 N -4.79 2.57 -2.03 0.00 1.02 0.19 -5.00 120.64 112.60 2cu8 n GLU 23 Ca 0.06 -2.13 -0.43 0.00 -0.02 0.00 0.00 57.16 54.64 2cu8 n GLU 23 Cb 0.12 -1.34 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.75 3.75 -0.09 3.49 2.20 0.21 -3.99 119.74 123.56 2cu8 s LYS 24 Ca 0.21 1.76 0.01 0.00 -0.36 0.00 0.00 55.97 57.60 2cu8 s LYS 24 Cb 0.16 -4.08 0.02 0.00 -1.51 0.00 0.00 37.83 32.41 2cu8 s LYS 24 CO 0.06 -1.35 -0.11 0.54 -0.36 0.00 0.00 175.35 174.13 2cu8 s VAL 25 N 5.46 1.17 0.32 4.02 0.11 -0.96 -4.95 120.40 125.57 2cu8 s VAL 25 Ca 0.76 -0.45 -0.28 0.00 -2.93 0.00 0.00 61.98 59.08 2cu8 s VAL 25 Cb -0.27 -1.10 -0.09 0.00 -1.53 0.00 0.00 36.38 33.38 2cu8 s VAL 25 CO 0.31 0.37 1.11 -0.94 -3.33 0.00 0.00 175.10 172.62 2cu8 s SER 26 N 1.05 7.03 -0.30 3.54 1.04 -1.26 -1.53 113.70 123.28 2cu8 s SER 26 Ca -0.07 2.26 -0.17 0.00 0.48 0.00 0.00 55.95 58.45 2cu8 s SER 26 Cb -0.15 -2.62 0.18 0.00 0.10 0.00 0.00 66.02 63.54 2cu8 s SER 26 CO -0.01 -0.31 1.14 -0.55 0.98 0.00 0.00 173.24 174.49 2cu8 s SER 27 N -1.03 -0.32 -1.45 7.02 0.15 -0.95 -4.20 113.70 112.92 2cu8 s SER 27 Ca 0.49 0.44 -0.04 0.00 0.70 0.00 0.00 55.95 57.54 2cu8 s SER 27 Cb -0.30 1.34 0.02 0.00 -1.71 0.00 0.00 66.02 65.36 2cu8 s SER 27 CO 0.39 -0.06 0.36 0.18 1.20 0.00 0.00 173.24 175.30 2cu8 n LEU 28 N 4.60 -2.02 -2.43 3.45 4.32 -1.26 -1.71 117.00 121.95 2cu8 n LEU 28 Ca -0.09 -0.17 -0.13 0.00 -0.02 0.00 0.00 56.01 55.60 2cu8 n LEU 28 Cb 0.54 -2.64 0.05 0.00 -1.62 0.00 0.00 43.42 39.76 2cu8 n LEU 28 CO -0.04 0.07 0.13 0.61 -1.22 0.00 0.00 177.39 176.93 2cu8 n GLY 29 N -1.22 0.01 3.43 -0.72 0.00 -1.26 -5.02 105.19 100.40 2cu8 n GLY 29 Ca -0.12 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 2cu8 n GLY 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cu8 n LYS 30 N -3.16 0.84 -4.05 1.61 5.02 -0.69 -5.15 118.16 112.57 2cu8 n LYS 30 Ca -0.05 -2.54 -0.32 0.00 -2.02 0.00 0.00 58.31 53.38 2cu8 n LYS 30 Cb 0.56 2.66 -0.16 0.00 -0.02 0.00 0.00 35.03 38.08 2cu8 n LYS 30 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2cu8 s ASP 31 N -3.09 3.81 0.35 4.39 1.11 -1.26 -2.23 116.67 119.76 2cu8 s ASP 31 Ca 0.24 -1.07 0.01 0.00 0.18 0.00 0.00 52.55 51.91 2cu8 s ASP 31 Cb -0.02 -1.43 0.01 0.00 1.07 0.00 0.00 42.92 42.55 2cu8 s ASP 31 CO 0.17 -0.13 0.08 0.79 1.18 0.00 0.00 175.17 177.26 2cu8 n TRP 32 N 4.56 0.33 -2.93 4.23 7.02 -0.58 -4.51 117.44 125.56 2cu8 n TRP 32 Ca -0.16 -1.67 -0.19 0.00 -1.02 0.00 0.00 57.50 54.47 2cu8 n TRP 32 Cb 0.45 -0.25 0.04 0.00 -2.42 0.00 0.00 31.31 29.13 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 -2.13 2.23 -0.49 -5.99 3.76 -1.26 -2.27 115.29 109.14 2cu8 s HIS 33 Ca 0.06 -0.44 0.24 0.00 -0.15 0.00 0.00 55.06 54.76 2cu8 s HIS 33 Cb -0.00 -2.43 0.33 0.00 1.11 0.00 0.00 32.58 31.58 2cu8 s HIS 33 CO 0.04 -0.85 1.40 0.87 -0.85 0.00 0.00 174.74 175.35 2cu8 h LYS 34 N 0.30 0.00 -0.11 1.40 1.57 -1.98 -3.30 116.57 114.45 2cu8 h LYS 34 Ca -0.37 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.39 2cu8 h LYS 34 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 2cu8 h LYS 34 CO 0.44 0.00 -0.09 1.19 -0.57 0.00 0.00 179.45 180.42 2cu8 n PHE 35 N -2.57 0.39 -0.03 -1.35 3.72 -1.26 -4.64 117.46 111.72 2cu8 n PHE 35 Ca 0.03 -1.13 -0.05 0.00 -0.05 0.00 0.00 57.45 56.25 2cu8 n PHE 35 Cb 0.49 -0.25 -0.02 0.00 -0.94 0.00 0.00 39.48 38.76 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 -2.87 0.76 -3.70 0.00 7.94 -1.24 -4.78 117.00 113.11 2cu8 n LEU 37 Ca -0.10 -2.20 -0.11 0.00 -1.11 0.00 0.00 56.01 52.49 2cu8 n LEU 37 Cb 0.59 -1.52 -0.11 0.00 0.53 0.00 0.00 43.42 42.91 2cu8 n LEU 37 CO 0.04 -3.24 0.04 -0.54 -1.11 0.00 0.00 177.39 172.57 2cu8 s LYS 38 N 7.99 0.38 0.52 1.96 -0.14 -1.26 -4.23 119.74 124.95 2cu8 s LYS 38 Ca 0.70 0.74 -0.19 0.00 -1.36 0.00 0.00 55.97 55.86 2cu8 s LYS 38 Cb -0.06 -0.01 -0.11 0.00 -1.68 0.00 0.00 37.83 35.97 2cu8 s LYS 38 CO 0.16 -0.15 0.44 0.00 -0.76 0.00 0.00 175.35 175.03 2cu8 n GLU 40 N 0.36 0.13 -0.08 0.00 4.07 -1.15 -2.94 120.64 121.03 2cu8 n GLU 40 Ca 0.11 -0.11 -0.12 0.00 -0.06 0.00 0.00 57.16 56.98 2cu8 n GLU 40 Cb 0.45 -1.50 -0.04 0.00 -0.06 0.00 0.00 31.44 30.29 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 -1.34 0.45 0.06 5.31 0.63 -1.26 -4.69 116.66 115.81 2cu8 n ARG 41 Ca 0.05 0.18 0.11 0.00 -0.92 0.00 0.00 57.85 57.27 2cu8 n ARG 41 Cb 0.34 -1.28 -0.01 0.00 0.45 0.00 0.00 32.46 31.97 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 -2.36 -4.42 -4.82 0.00 7.64 -1.15 -4.97 113.62 103.54 2cu8 n SER 43 Ca 0.00 -0.76 -0.31 0.00 1.01 0.00 0.00 58.87 58.81 2cu8 n SER 43 Cb 0.51 -4.01 -0.06 0.00 -1.01 0.00 0.00 64.21 59.64 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 -6.50 3.08 0.34 1.43 2.47 -1.26 -4.79 119.74 114.50 2cu8 s LYS 44 Ca 0.56 -0.59 -0.28 0.00 -1.56 0.00 0.00 55.97 54.10 2cu8 s LYS 44 Cb -0.28 -2.84 -0.12 0.00 -1.46 0.00 0.00 37.83 33.13 2cu8 s LYS 44 CO 0.82 0.59 1.22 2.41 0.16 0.00 0.00 175.35 180.55 2cu8 n THR 45 N 0.47 2.05 -4.53 3.43 -1.04 -1.26 -3.48 114.28 109.91 2cu8 n THR 45 Ca -0.08 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.17 2cu8 n THR 45 Cb 0.51 -1.44 -0.08 0.00 -1.82 0.00 0.00 70.33 67.51 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 -0.75 1.98 -0.06 -4.42 1.43 -1.26 -4.97 118.68 110.64 2cu8 s LEU 46 Ca 0.57 -1.74 0.05 0.00 -1.03 0.00 0.00 54.13 51.98 2cu8 s LEU 46 Cb -0.59 -0.05 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 2cu8 s LEU 46 CO 0.61 -1.00 -0.22 -0.89 0.23 0.00 0.00 176.35 175.09 2cu8 s THR 47 N -3.16 2.35 -0.82 5.49 2.01 -1.26 -5.03 115.64 115.22 2cu8 s THR 47 Ca 0.22 -0.97 -0.25 0.00 0.31 0.00 0.00 61.69 61.00 2cu8 s THR 47 Cb 0.01 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 2cu8 s THR 47 CO 0.15 0.57 1.92 -2.16 -0.69 0.00 0.00 174.62 174.41 2cu8 s PRO 48 N -0.30 2.58 0.00 4.92 0.04 -1.26 -3.10 135.00 137.88 2cu8 s PRO 48 Ca 0.01 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.01 2cu8 s PRO 48 Cb -0.13 -4.87 0.00 0.00 0.04 0.00 0.00 34.50 29.54 2cu8 s PRO 48 CO 0.02 -3.19 0.00 0.41 0.04 0.00 0.00 177.00 174.29 2cu8 n GLY 49 N 6.52 0.99 0.00 0.56 0.00 -1.26 -4.65 105.19 107.35 2cu8 n GLY 49 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 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 -1.78 3.77 -0.02 0.00 -1.18 -4.93 105.19 101.04 2cu8 n GLY 50 Ca 0.00 0.88 -0.07 0.00 0.00 0.00 0.00 46.02 46.83 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 0.41 1.61 -3.43 -1.26 -4.70 115.29 107.69 2cu8 s HIS 51 Ca 0.00 -0.16 0.02 0.00 -0.80 0.00 0.00 55.06 54.12 2cu8 s HIS 51 Cb 0.00 0.67 -0.01 0.00 -1.43 0.00 0.00 32.58 31.81 2cu8 s HIS 51 CO 0.00 -1.07 0.61 0.00 -2.00 0.00 0.00 174.74 172.28 2cu8 s ALA 52 N -3.73 3.84 0.02 -1.38 0.00 -1.10 -4.97 121.76 114.43 2cu8 s ALA 52 Ca 0.10 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 50.96 2cu8 s ALA 52 Cb -0.04 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 2cu8 s ALA 52 CO 0.03 -0.26 -0.05 -1.83 0.00 0.00 0.00 175.76 173.65 2cu8 s GLU 53 N -4.44 0.39 -0.26 0.00 1.03 -1.26 -0.85 118.70 113.30 2cu8 s GLU 53 Ca 0.46 -0.45 -0.01 0.00 0.03 0.00 0.00 54.97 55.00 2cu8 s GLU 53 Cb -0.10 -0.22 0.14 0.00 -0.80 0.00 0.00 34.13 33.15 2cu8 s GLU 53 CO 0.36 0.05 0.38 -1.58 -1.33 0.00 0.00 175.26 173.14 2cu8 s HIS 54 N -0.81 -0.84 -0.53 4.83 2.46 -0.08 -4.89 115.29 115.44 2cu8 s HIS 54 Ca -0.06 0.56 -0.00 0.00 0.47 0.00 0.00 55.06 56.03 2cu8 s HIS 54 Cb -0.06 -0.09 0.00 0.00 -0.13 0.00 0.00 32.58 32.30 2cu8 s HIS 54 CO -0.00 -0.82 0.03 -3.47 -2.47 0.00 0.00 174.74 168.01 2cu8 n ASP 55 N 5.35 -2.55 0.00 9.88 -0.08 -1.26 -3.00 116.55 124.90 2cu8 n ASP 55 Ca -0.02 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 2cu8 n ASP 55 Cb 0.49 -1.84 0.00 0.00 2.34 0.00 0.00 41.12 42.12 2cu8 n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2cu8 n GLY 56 N -1.00 2.96 3.73 0.27 0.00 -1.26 -5.00 105.19 104.89 2cu8 n GLY 56 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.21 4.33 0.48 1.61 3.01 -1.16 -4.77 119.74 123.03 2cu8 s LYS 57 Ca 0.00 0.52 -0.22 0.00 -1.01 0.00 0.00 55.97 55.26 2cu8 s LYS 57 Cb 0.00 -3.42 -0.07 0.00 -1.01 0.00 0.00 37.83 33.33 2cu8 s LYS 57 CO 0.00 0.20 1.16 -1.25 0.51 0.00 0.00 175.35 175.96 2cu8 s PRO 58 N 0.47 3.66 -0.19 -1.68 0.04 -1.26 -0.90 135.00 135.13 2cu8 s PRO 58 Ca 0.28 1.73 -0.09 0.00 0.04 0.00 0.00 61.00 62.96 2cu8 s PRO 58 Cb -0.16 -2.31 0.07 0.00 0.04 0.00 0.00 34.50 32.15 2cu8 s PRO 58 CO 0.12 -0.63 0.44 -0.06 0.04 0.00 0.00 177.00 176.91 2cu8 s PHE 59 N -1.60 -0.71 1.02 0.56 0.08 -0.03 -2.94 117.98 114.36 2cu8 s PHE 59 Ca 0.66 1.44 -0.21 0.00 0.12 0.00 0.00 56.93 58.94 2cu8 s PHE 59 Cb -0.27 0.32 -0.10 0.00 -0.57 0.00 0.00 43.02 42.39 2cu8 s PHE 59 CO 0.33 -0.40 -0.83 0.00 -0.10 0.00 0.00 175.22 174.22 2cu8 h HIS 61 N -1.25 0.99 0.00 0.00 3.86 -1.94 -2.22 115.15 114.58 2cu8 h HIS 61 Ca -0.44 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 2cu8 h HIS 61 Cb 1.35 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 29.49 2cu8 h HIS 61 CO 0.14 0.64 0.00 0.36 0.86 0.00 0.00 177.93 179.93 2cu8 n LYS 62 N -4.52 0.00 0.16 2.45 -0.00 -1.26 -3.21 118.16 111.78 2cu8 n LYS 62 Ca 0.07 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.51 2cu8 n LYS 62 Cb 0.04 0.00 0.54 0.00 -0.00 0.00 0.00 35.03 35.60 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 0.14 -0.49 0.00 3.20 -1.49 -2.97 116.97 115.37 2cu8 h TYR 65 Ca 0.00 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 2cu8 h TYR 65 Cb 0.00 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.17 2cu8 h TYR 65 CO -0.14 0.13 -0.29 0.00 -1.64 0.00 0.00 178.16 176.22 2cu8 n ALA 66 N -2.14 -0.31 0.06 1.82 0.00 0.19 -1.07 120.51 119.05 2cu8 n ALA 66 Ca -0.05 0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.69 2cu8 n ALA 66 Cb 0.05 0.16 -0.07 0.00 0.00 0.00 0.00 19.45 19.59 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 -0.89 0.00 2.02 -0.36 -1.44 112.91 112.25 2cu8 h THR 67 Ca 0.08 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.58 2cu8 h THR 67 Cb 0.20 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.45 2cu8 h THR 67 CO -0.46 0.00 0.31 0.18 0.37 0.00 0.00 175.52 175.92 2cu8 n LEU 68 N -4.52 0.16 -4.17 2.58 4.77 -0.72 -2.03 117.00 113.06 2cu8 n LEU 68 Ca -0.05 1.48 -0.39 0.00 -0.03 0.00 0.00 56.01 57.02 2cu8 n LEU 68 Cb 0.28 -0.65 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 2cu8 n LEU 68 CO 0.10 -1.60 0.42 -0.36 -1.33 0.00 0.00 177.39 174.62 2cu8 s PHE 69 N -5.54 3.94 0.00 -1.77 0.40 -0.23 -4.65 117.98 110.13 2cu8 s PHE 69 Ca -0.09 -2.89 0.00 0.00 -0.60 0.00 0.00 56.93 53.35 2cu8 s PHE 69 Cb 0.29 -3.40 0.00 0.00 0.51 0.00 0.00 43.02 40.42 2cu8 s PHE 69 CO 0.69 -0.80 0.00 0.41 0.70 0.00 0.00 175.22 176.22 2cu8 n GLY 70 N 2.58 -1.98 0.49 4.36 0.00 -0.86 -4.79 105.19 104.99 2cu8 n GLY 70 Ca 0.21 0.72 -0.18 0.00 0.00 0.00 0.00 46.02 46.77 2cu8 n GLY 70 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cu8 h SER 71 N 0.00 -1.44 -4.12 1.61 0.02 -1.87 -3.49 113.55 104.27 2cu8 h SER 71 Ca 0.00 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2cu8 h SER 71 Cb 0.00 0.49 -0.06 0.00 0.14 0.00 0.00 62.40 62.98 2cu8 h SER 71 CO 0.00 -0.63 -0.81 0.61 -1.14 0.00 0.00 176.83 174.86 2cu8 n GLY 72 N -1.54 -4.11 3.56 -3.77 0.00 -1.26 -4.83 105.19 93.23 2cu8 n GLY 72 Ca -0.11 0.67 -0.30 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.84 2.57 0.25 1.61 0.04 -1.26 -4.91 135.00 132.47 2cu8 s PRO 73 Ca -0.12 0.01 -0.01 0.00 0.04 0.00 0.00 61.00 60.91 2cu8 s PRO 73 Cb 0.01 -4.84 -0.03 0.00 0.04 0.00 0.00 34.50 29.68 2cu8 s PRO 73 CO 0.44 -3.17 0.26 -1.12 0.04 0.00 0.00 177.00 173.45 2cu8 s SER 74 N 8.07 0.55 -0.23 6.66 0.01 -1.26 -5.18 113.70 122.33 2cu8 s SER 74 Ca 0.69 -1.41 -0.29 0.00 1.31 0.00 0.00 55.95 56.25 2cu8 s SER 74 Cb -0.09 0.49 0.16 0.00 0.21 0.00 0.00 66.02 66.79 2cu8 s SER 74 CO 0.06 -0.99 1.17 -0.94 0.41 0.00 0.00 173.24 172.95 2cu8 s SER 75 N -3.20 -0.22 0.00 2.44 1.04 -1.26 -5.27 113.70 107.23 2cu8 s SER 75 Ca 0.36 0.26 0.15 0.00 0.48 0.00 0.00 55.95 57.21 2cu8 s SER 75 Cb 0.04 0.21 0.92 0.00 0.10 0.00 0.00 66.02 67.29 2cu8 s SER 75 CO 0.16 -0.19 1.34 0.61 0.98 0.00 0.00 173.24 176.14