#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 -0.61 0.14 1.61 1.04 -1.26 -5.16 113.70 109.46 2cu8 s SER 2 Ca 0.00 1.00 -0.10 0.00 0.48 0.00 0.00 55.95 57.33 2cu8 s SER 2 Cb 0.00 1.71 0.00 0.00 0.10 0.00 0.00 66.02 67.83 2cu8 s SER 2 CO 0.00 -0.25 0.29 -0.44 0.98 0.00 0.00 173.24 173.82 2cu8 s SER 3 N 2.72 0.01 0.00 7.02 0.01 -1.26 -5.04 113.70 117.16 2cu8 s SER 3 Ca 0.04 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.60 2cu8 s SER 3 Cb -0.13 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.52 2cu8 s SER 3 CO -0.16 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.25 2cu8 n GLY 4 N -0.17 0.51 3.05 3.44 0.00 -1.26 -5.15 105.19 105.61 2cu8 n GLY 4 Ca -0.11 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.38 1.86 0.01 1.61 0.01 -1.26 -5.14 113.70 110.41 2cu8 s SER 5 Ca 0.00 -0.31 0.04 0.00 1.31 0.00 0.00 55.95 56.99 2cu8 s SER 5 Cb 0.00 -0.81 -0.03 0.00 0.21 0.00 0.00 66.02 65.39 2cu8 s SER 5 CO 0.00 0.06 -0.09 -0.44 0.41 0.00 0.00 173.24 173.18 2cu8 s SER 6 N 0.55 4.49 -0.56 2.44 0.01 -1.26 -5.06 113.70 114.31 2cu8 s SER 6 Ca -0.13 -0.19 0.06 0.00 1.31 0.00 0.00 55.95 57.00 2cu8 s SER 6 Cb -0.15 -1.00 0.33 0.00 0.21 0.00 0.00 66.02 65.41 2cu8 s SER 6 CO 0.04 0.28 0.90 0.61 0.41 0.00 0.00 173.24 175.47 2cu8 n GLY 7 N 1.54 5.27 3.56 3.44 0.00 -1.26 -5.03 105.19 112.71 2cu8 n GLY 7 Ca -0.15 -2.65 -0.32 0.00 0.00 0.00 0.00 46.02 42.90 2cu8 n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2cu8 s MET 8 N -3.21 2.62 -0.27 1.61 1.00 -1.26 -4.88 119.30 114.91 2cu8 s MET 8 Ca 0.47 0.02 -0.24 0.00 0.00 0.00 0.00 55.69 55.93 2cu8 s MET 8 Cb 0.27 -4.81 0.07 0.00 0.00 0.00 0.00 34.83 30.36 2cu8 s MET 8 CO -0.12 -3.10 0.71 0.00 0.00 0.00 0.00 175.02 172.52 2cu8 s ALA 9 N 9.53 -1.76 0.49 3.03 0.00 -1.26 -4.94 121.76 126.84 2cu8 s ALA 9 Ca 0.68 2.02 -0.20 0.00 0.00 0.00 0.00 51.96 54.46 2cu8 s ALA 9 Cb -0.09 -1.17 -0.08 0.00 0.00 0.00 0.00 23.12 21.78 2cu8 s ALA 9 CO 0.07 -0.34 1.04 0.45 0.00 0.00 0.00 175.76 176.98 2cu8 s SER 10 N 0.41 6.31 0.69 0.00 0.15 -1.26 -4.77 113.70 115.24 2cu8 s SER 10 Ca -0.00 1.92 -0.07 0.00 0.70 0.00 0.00 55.95 58.50 2cu8 s SER 10 Cb -0.05 -2.56 0.05 0.00 -1.71 0.00 0.00 66.02 61.76 2cu8 s SER 10 CO 0.00 -0.80 1.01 -0.54 1.20 0.00 0.00 173.24 174.11 2cu8 s LYS 11 N -3.29 2.30 -0.22 5.44 1.02 -1.26 -1.14 119.74 122.59 2cu8 s LYS 11 Ca 0.67 -0.19 -0.08 0.00 0.02 0.00 0.00 55.97 56.38 2cu8 s LYS 11 Cb -0.16 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 2cu8 s LYS 11 CO 0.21 -1.17 0.10 0.00 -0.92 0.00 0.00 175.35 173.56 2cu8 n PRO 13 N 4.08 0.49 -0.05 0.00 -0.04 -1.26 0.66 135.00 138.88 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 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.72 0.34 -0.48 0.54 3.00 -1.26 -4.74 118.16 114.84 2cu8 n LYS 14 Ca 0.05 0.14 0.06 0.00 -0.00 0.00 0.00 58.31 58.56 2cu8 n LYS 14 Cb 0.02 -1.09 0.24 0.00 0.00 0.00 0.00 35.03 34.21 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 -0.69 -0.73 -4.46 0.00 2.03 0.21 -4.88 116.55 108.03 2cu8 n ASP 16 Ca 0.23 -0.78 -0.23 0.00 0.52 0.00 0.00 54.79 54.53 2cu8 n ASP 16 Cb 0.90 -0.95 -0.10 0.00 -0.72 0.00 0.00 41.12 40.25 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 -6.02 1.63 -0.78 -0.67 -0.14 -1.24 -4.76 119.74 107.76 2cu8 s LYS 17 Ca 0.13 -1.76 -0.25 0.00 -1.36 0.00 0.00 55.97 52.73 2cu8 s LYS 17 Cb -0.07 -1.63 -0.01 0.00 -1.68 0.00 0.00 37.83 34.44 2cu8 s LYS 17 CO 0.60 0.27 1.71 0.99 -0.76 0.00 0.00 175.35 178.16 2cu8 s THR 18 N -2.62 3.54 0.06 2.17 2.01 -1.26 -0.17 115.64 119.37 2cu8 s THR 18 Ca 0.29 -0.07 -0.30 0.00 0.31 0.00 0.00 61.69 61.91 2cu8 s THR 18 Cb -0.03 -4.32 -0.09 0.00 0.01 0.00 0.00 72.50 68.07 2cu8 s THR 18 CO 0.14 -1.26 1.77 -0.69 -0.69 0.00 0.00 174.62 173.88 2cu8 s VAL 19 N 8.10 2.95 0.03 3.82 1.01 -0.29 -4.95 120.40 131.08 2cu8 s VAL 19 Ca 0.59 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 2cu8 s VAL 19 Cb -0.08 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 2cu8 s VAL 19 CO 0.09 -0.01 1.15 -0.31 0.00 0.00 0.00 175.10 176.02 2cu8 s TYR 20 N 3.21 3.46 0.65 5.22 1.51 -1.26 -4.30 117.35 125.85 2cu8 s TYR 20 Ca 0.79 1.38 0.17 0.00 -1.01 0.00 0.00 57.07 58.40 2cu8 s TYR 20 Cb -0.41 -3.35 0.85 0.00 -0.11 0.00 0.00 41.96 38.94 2cu8 s TYR 20 CO 0.35 -1.00 1.46 0.35 -1.11 0.00 0.00 175.55 175.61 2cu8 h PHE 21 N 6.87 0.00 0.10 2.71 3.57 -1.92 0.24 116.94 128.51 2cu8 h PHE 21 Ca -0.41 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.09 2cu8 h PHE 21 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 2cu8 h PHE 21 CO 0.68 0.00 -0.05 0.00 -2.23 0.00 0.00 178.31 176.71 2cu8 h ALA 22 N 0.70 -0.13 -0.25 2.41 0.00 -2.01 -3.27 119.26 116.70 2cu8 h ALA 22 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2cu8 h ALA 22 Cb 1.53 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2cu8 h ALA 22 CO -0.00 -0.17 0.00 0.39 0.00 0.00 0.00 179.25 179.46 2cu8 n GLU 23 N -4.83 1.80 -2.13 0.00 -0.58 0.45 -4.88 120.64 110.47 2cu8 n GLU 23 Ca -0.07 -1.00 -0.42 0.00 -0.42 0.00 0.00 57.16 55.25 2cu8 n GLU 23 Cb 0.26 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 29.77 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 -1.64 4.22 -0.19 3.49 2.20 0.55 -4.42 119.74 123.95 2cu8 s LYS 24 Ca 0.18 2.05 0.01 0.00 -0.36 0.00 0.00 55.97 57.85 2cu8 s LYS 24 Cb 0.11 -3.80 0.03 0.00 -1.51 0.00 0.00 37.83 32.65 2cu8 s LYS 24 CO 0.11 -0.74 -0.18 0.54 -0.36 0.00 0.00 175.35 174.71 2cu8 s VAL 25 N 3.38 2.06 -0.11 4.02 0.11 -1.23 -5.02 120.40 123.61 2cu8 s VAL 25 Ca 0.67 -1.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.40 2cu8 s VAL 25 Cb -0.31 -1.91 -0.02 0.00 -1.53 0.00 0.00 36.38 32.61 2cu8 s VAL 25 CO 0.26 0.45 1.18 -0.94 -3.33 0.00 0.00 175.10 172.73 2cu8 s SER 26 N 1.27 7.05 -0.16 3.54 1.04 -1.26 -2.83 113.70 122.35 2cu8 s SER 26 Ca 0.03 1.71 -0.05 0.00 0.48 0.00 0.00 55.95 58.12 2cu8 s SER 26 Cb -0.14 -2.55 0.08 0.00 0.10 0.00 0.00 66.02 63.51 2cu8 s SER 26 CO -0.12 -0.62 0.29 -0.55 0.98 0.00 0.00 173.24 173.22 2cu8 s SER 27 N 1.54 0.41 -1.24 7.02 0.15 -0.37 -4.55 113.70 116.67 2cu8 s SER 27 Ca 0.54 0.50 -0.04 0.00 0.70 0.00 0.00 55.95 57.64 2cu8 s SER 27 Cb -0.22 0.78 0.03 0.00 -1.71 0.00 0.00 66.02 64.89 2cu8 s SER 27 CO 0.18 -0.26 0.28 0.18 1.20 0.00 0.00 173.24 174.82 2cu8 n LEU 28 N 5.35 -1.55 -1.31 3.45 4.32 -1.26 -0.59 117.00 125.41 2cu8 n LEU 28 Ca -0.06 -0.11 -0.09 0.00 -0.02 0.00 0.00 56.01 55.74 2cu8 n LEU 28 Cb 0.50 -2.28 0.01 0.00 -1.62 0.00 0.00 43.42 40.03 2cu8 n LEU 28 CO 0.03 0.03 0.00 0.61 -1.22 0.00 0.00 177.39 176.85 2cu8 n GLY 29 N -1.06 0.22 3.10 -0.72 0.00 -1.26 -5.04 105.19 100.44 2cu8 n GLY 29 Ca -0.09 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 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 -4.97 0.53 -0.39 1.61 -0.14 0.24 -5.13 119.74 111.48 2cu8 s LYS 30 Ca 0.12 -0.59 -0.14 0.00 -1.36 0.00 0.00 55.97 54.00 2cu8 s LYS 30 Cb -0.05 0.21 0.01 0.00 -1.68 0.00 0.00 37.83 36.32 2cu8 s LYS 30 CO 0.14 -0.13 0.28 -0.51 -0.76 0.00 0.00 175.35 174.37 2cu8 s ASP 31 N -1.76 6.07 0.36 2.83 1.01 -1.26 -1.23 116.67 122.68 2cu8 s ASP 31 Ca -0.10 -0.78 0.01 0.00 0.71 0.00 0.00 52.55 52.39 2cu8 s ASP 31 Cb -0.05 -2.14 0.01 0.00 1.01 0.00 0.00 42.92 41.75 2cu8 s ASP 31 CO -0.02 -0.39 0.07 0.79 0.21 0.00 0.00 175.17 175.83 2cu8 n TRP 32 N 5.13 0.41 -4.59 4.23 7.02 -1.13 -4.19 117.44 124.32 2cu8 n TRP 32 Ca -0.11 -1.71 -0.34 0.00 -1.02 0.00 0.00 57.50 54.31 2cu8 n TRP 32 Cb 0.48 -0.25 -0.11 0.00 -2.42 0.00 0.00 31.31 29.00 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 -2.18 2.97 0.33 -5.99 3.76 -1.26 -3.52 115.29 109.40 2cu8 s HIS 33 Ca 0.05 0.05 0.16 0.00 -0.15 0.00 0.00 55.06 55.17 2cu8 s HIS 33 Cb -0.00 -1.72 0.87 0.00 1.11 0.00 0.00 32.58 32.84 2cu8 s HIS 33 CO 0.03 0.35 1.42 0.87 -0.85 0.00 0.00 174.74 176.57 2cu8 h LYS 34 N 5.23 0.00 0.00 1.40 1.57 -1.98 1.08 116.57 123.87 2cu8 h LYS 34 Ca -0.49 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.27 2cu8 h LYS 34 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 2cu8 h LYS 34 CO 0.53 0.00 -1.78 1.19 -0.57 0.00 0.00 179.45 178.82 2cu8 n PHE 35 N -2.35 0.00 0.47 -1.35 3.01 -1.26 -4.36 117.46 111.61 2cu8 n PHE 35 Ca -0.01 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.57 2cu8 n PHE 35 Cb 0.45 -0.40 0.11 0.00 -0.01 0.00 0.00 39.48 39.63 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 -2.21 5.39 -4.16 0.00 7.94 0.81 -4.79 117.00 119.98 2cu8 n LEU 37 Ca 0.02 -2.54 -0.33 0.00 -1.11 0.00 0.00 56.01 52.06 2cu8 n LEU 37 Cb 0.46 -1.16 -0.16 0.00 0.53 0.00 0.00 43.42 43.09 2cu8 n LEU 37 CO 0.38 1.10 -0.53 -0.54 -1.11 0.00 0.00 177.39 176.69 2cu8 s LYS 38 N 0.04 3.03 0.40 1.96 -0.14 -1.26 -3.92 119.74 119.85 2cu8 s LYS 38 Ca 0.09 -0.83 -0.21 0.00 -1.36 0.00 0.00 55.97 53.66 2cu8 s LYS 38 Cb 0.05 -2.51 -0.15 0.00 -1.68 0.00 0.00 37.83 33.54 2cu8 s LYS 38 CO -0.00 -0.08 0.08 0.00 -0.76 0.00 0.00 175.35 174.59 2cu8 n GLU 40 N 1.32 0.17 -0.09 0.00 2.13 -1.25 -2.90 120.64 120.01 2cu8 n GLU 40 Ca 0.11 -0.05 -0.12 0.00 0.66 0.00 0.00 57.16 57.76 2cu8 n GLU 40 Cb 0.39 -1.51 -0.04 0.00 0.27 0.00 0.00 31.44 30.55 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 -1.70 0.52 0.03 5.31 0.63 -1.26 -4.65 116.66 115.55 2cu8 n ARG 41 Ca 0.02 0.32 -0.00 0.00 -0.92 0.00 0.00 57.85 57.27 2cu8 n ARG 41 Cb 0.39 -1.52 -0.08 0.00 0.45 0.00 0.00 32.46 31.70 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 -2.90 -3.52 -4.38 0.00 2.88 -1.14 -5.01 113.62 99.55 2cu8 n SER 43 Ca -0.09 -0.58 -0.30 0.00 -1.33 0.00 0.00 58.87 56.56 2cu8 n SER 43 Cb 0.84 -5.01 -0.14 0.00 -0.75 0.00 0.00 64.21 59.15 2cu8 n SER 43 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2cu8 s LYS 44 N -5.67 1.81 -0.24 -1.46 2.20 -1.26 -4.86 119.74 110.26 2cu8 s LYS 44 Ca 0.20 -1.11 -0.41 0.00 -0.36 0.00 0.00 55.97 54.28 2cu8 s LYS 44 Cb -0.09 -2.02 -0.18 0.00 -1.51 0.00 0.00 37.83 34.04 2cu8 s LYS 44 CO 0.72 0.51 1.55 2.41 -0.36 0.00 0.00 175.35 180.17 2cu8 n THR 45 N 1.60 0.13 -3.41 3.43 -1.04 -1.26 -3.78 114.28 109.96 2cu8 n THR 45 Ca -0.17 -0.02 -0.20 0.00 -2.04 0.00 0.00 64.05 61.62 2cu8 n THR 45 Cb 0.52 -0.81 -0.01 0.00 -1.82 0.00 0.00 70.33 68.21 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 2.40 3.39 -0.20 -4.42 1.43 -1.25 -4.99 118.68 115.03 2cu8 s LEU 46 Ca 0.97 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 2cu8 s LEU 46 Cb -1.19 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 42.92 2cu8 s LEU 46 CO 0.65 -0.76 -0.12 -0.89 0.23 0.00 0.00 176.35 175.46 2cu8 s THR 47 N -2.48 2.67 -0.90 5.49 2.01 -1.26 -5.03 115.64 116.15 2cu8 s THR 47 Ca 0.50 -0.77 -0.25 0.00 0.31 0.00 0.00 61.69 61.48 2cu8 s THR 47 Cb -0.05 -2.20 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 2cu8 s THR 47 CO 0.30 0.45 1.94 -2.16 -0.69 0.00 0.00 174.62 174.46 2cu8 s PRO 48 N 1.37 2.56 0.00 4.92 0.04 -1.26 -2.67 135.00 139.96 2cu8 s PRO 48 Ca 0.05 -0.27 0.00 0.00 0.04 0.00 0.00 61.00 60.82 2cu8 s PRO 48 Cb -0.14 -5.05 0.00 0.00 0.04 0.00 0.00 34.50 29.35 2cu8 s PRO 48 CO -0.08 -3.36 0.00 0.41 0.04 0.00 0.00 177.00 174.01 2cu8 n GLY 49 N 6.83 0.65 2.21 0.56 0.00 -1.26 -4.83 105.19 109.34 2cu8 n GLY 49 Ca 0.40 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.19 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 3.22 3.34 -0.02 0.00 -1.09 -4.87 105.19 105.77 2cu8 n GLY 50 Ca 0.00 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.67 0.73 0.26 1.61 -0.00 -1.26 -4.81 115.29 110.15 2cu8 s HIS 51 Ca 0.37 -1.04 0.06 0.00 -0.00 0.00 0.00 55.06 54.45 2cu8 s HIS 51 Cb 0.23 -0.23 -0.03 0.00 -0.00 0.00 0.00 32.58 32.55 2cu8 s HIS 51 CO -0.10 -0.74 0.31 0.00 -0.00 0.00 0.00 174.74 174.21 2cu8 s ALA 52 N -4.06 3.84 -0.02 -1.38 0.00 -0.79 -4.97 121.76 114.38 2cu8 s ALA 52 Ca 0.28 -1.33 0.02 0.00 0.00 0.00 0.00 51.96 50.92 2cu8 s ALA 52 Cb 0.04 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.61 2cu8 s ALA 52 CO 0.07 0.21 -0.05 -1.83 0.00 0.00 0.00 175.76 174.16 2cu8 s GLU 53 N -3.95 0.68 -0.03 0.00 -1.05 -1.26 -0.63 118.70 112.45 2cu8 s GLU 53 Ca 0.35 -0.16 -0.01 0.00 -0.15 0.00 0.00 54.97 55.00 2cu8 s GLU 53 Cb -0.09 -0.68 0.03 0.00 -0.44 0.00 0.00 34.13 32.96 2cu8 s GLU 53 CO 0.28 0.02 0.04 -1.58 0.95 0.00 0.00 175.26 174.97 2cu8 s HIS 54 N 0.41 0.04 -1.33 4.83 2.46 0.64 -4.83 115.29 117.52 2cu8 s HIS 54 Ca -0.05 0.17 -0.00 0.00 0.47 0.00 0.00 55.06 55.65 2cu8 s HIS 54 Cb -0.09 -0.32 0.00 0.00 -0.13 0.00 0.00 32.58 32.04 2cu8 s HIS 54 CO -0.00 -0.12 0.00 -3.47 -2.47 0.00 0.00 174.74 168.68 2cu8 n ASP 55 N 4.55 -4.67 0.00 9.88 2.03 -1.26 -0.24 116.55 126.84 2cu8 n ASP 55 Ca -0.20 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2cu8 n ASP 55 Cb 0.50 -3.93 0.00 0.00 -0.72 0.00 0.00 41.12 36.97 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 -0.88 3.07 3.72 0.27 0.00 -1.26 -5.00 105.19 105.10 2cu8 n GLY 56 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.30 4.34 0.65 1.61 3.01 0.66 -4.88 119.74 124.84 2cu8 s LYS 57 Ca 0.00 0.48 -0.15 0.00 -1.01 0.00 0.00 55.97 55.29 2cu8 s LYS 57 Cb 0.00 -3.43 -0.00 0.00 -1.01 0.00 0.00 37.83 33.38 2cu8 s LYS 57 CO 0.00 0.16 1.11 -1.25 0.51 0.00 0.00 175.35 175.88 2cu8 s PRO 58 N 0.61 2.82 -0.28 -1.68 0.04 -1.26 -0.26 135.00 135.00 2cu8 s PRO 58 Ca 0.27 1.40 -0.21 0.00 0.04 0.00 0.00 61.00 62.50 2cu8 s PRO 58 Cb -0.15 -1.95 0.08 0.00 0.04 0.00 0.00 34.50 32.51 2cu8 s PRO 58 CO 0.11 -1.23 0.73 -0.06 0.04 0.00 0.00 177.00 176.59 2cu8 s PHE 59 N -2.31 -0.88 0.99 0.56 0.08 0.20 -3.93 117.98 112.69 2cu8 s PHE 59 Ca 0.67 1.94 -0.15 0.00 0.12 0.00 0.00 56.93 59.52 2cu8 s PHE 59 Cb -0.21 0.42 0.02 0.00 -0.57 0.00 0.00 43.02 42.69 2cu8 s PHE 59 CO 0.41 -0.43 0.12 0.00 -0.10 0.00 0.00 175.22 175.22 2cu8 h HIS 61 N -1.58 1.12 0.00 0.00 3.86 -1.93 -1.06 115.15 115.55 2cu8 h HIS 61 Ca -0.45 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 2cu8 h HIS 61 Cb 1.30 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 29.41 2cu8 h HIS 61 CO 0.31 0.54 0.00 0.36 0.86 0.00 0.00 177.93 180.00 2cu8 n LYS 62 N -4.57 0.00 0.18 2.45 -0.00 -1.26 -2.49 118.16 112.47 2cu8 n LYS 62 Ca 0.15 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.60 2cu8 n LYS 62 Cb 0.22 0.00 0.57 0.00 -0.00 0.00 0.00 35.03 35.82 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 -1.99 -3.46 132.00 125.10 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 -0.74 -0.38 0.00 5.03 -1.28 -2.94 116.97 116.66 2cu8 h TYR 65 Ca 0.00 -0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.33 2cu8 h TYR 65 Cb 0.00 0.24 -0.05 0.00 1.55 0.00 0.00 36.73 38.48 2cu8 h TYR 65 CO -0.17 -0.41 -0.22 0.00 -1.32 0.00 0.00 178.16 176.04 2cu8 n ALA 66 N -2.52 -0.24 -0.08 1.82 0.00 -0.75 -0.64 120.51 118.09 2cu8 n ALA 66 Ca -0.12 0.32 -0.14 0.00 0.00 0.00 0.00 53.44 53.50 2cu8 n ALA 66 Cb 0.34 0.15 -0.09 0.00 0.00 0.00 0.00 19.45 19.85 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 0.02 -0.97 0.00 2.02 0.20 0.29 112.91 114.47 2cu8 h THR 67 Ca 0.06 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.52 2cu8 h THR 67 Cb 0.16 0.02 -0.14 0.00 -1.74 0.00 0.00 68.15 66.44 2cu8 h THR 67 CO -0.36 0.00 0.50 -0.07 0.37 0.00 0.00 175.52 175.96 2cu8 h LEU 68 N -0.48 0.44 -7.44 2.58 3.38 -0.81 -2.98 115.31 110.01 2cu8 h LEU 68 Ca 0.06 0.18 -0.72 0.00 0.09 0.00 0.00 57.88 57.49 2cu8 h LEU 68 Cb 0.63 0.14 -0.34 0.00 0.09 0.00 0.00 40.66 41.19 2cu8 h LEU 68 CO -0.52 -0.08 -0.08 -0.36 0.09 0.00 0.00 178.44 177.49 2cu8 s PHE 69 N -5.75 3.82 0.00 1.13 0.40 0.18 -5.00 117.98 112.76 2cu8 s PHE 69 Ca -0.11 -2.84 0.00 0.00 -0.60 0.00 0.00 56.93 53.38 2cu8 s PHE 69 Cb 0.28 -3.35 0.00 0.00 0.51 0.00 0.00 43.02 40.47 2cu8 s PHE 69 CO 0.79 -0.80 0.00 0.41 0.70 0.00 0.00 175.22 176.31 2cu8 n GLY 70 N 2.75 1.29 3.43 4.36 0.00 -1.13 -4.73 105.19 111.16 2cu8 n GLY 70 Ca 0.18 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 2cu8 n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cu8 s SER 71 N -0.22 3.50 0.00 1.61 1.04 -1.26 -5.07 113.70 113.31 2cu8 s SER 71 Ca 0.00 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2cu8 s SER 71 Cb 0.00 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.82 2cu8 s SER 71 CO 0.00 0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.97 2cu8 n GLY 72 N 0.47 -1.88 0.00 7.32 0.00 -1.26 -5.01 105.19 104.84 2cu8 n GLY 72 Ca -0.14 0.85 0.05 0.00 0.00 0.00 0.00 46.02 46.77 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 0.00 0.49 -0.89 1.61 -0.04 -1.26 -4.89 135.00 130.02 2cu8 n PRO 73 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 2cu8 n PRO 73 Cb 0.00 -1.29 -0.05 0.00 -0.04 0.00 0.00 33.50 32.12 2cu8 n PRO 73 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cu8 n SER 74 N -0.79 0.15 -2.16 3.54 2.88 -1.26 -4.93 113.62 111.06 2cu8 n SER 74 Ca 0.07 0.67 -0.10 0.00 -1.33 0.00 0.00 58.87 58.18 2cu8 n SER 74 Cb 0.03 -0.52 -0.04 0.00 -0.75 0.00 0.00 64.21 62.93 2cu8 n SER 74 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cu8 n SER 75 N 1.19 -0.38 0.00 -3.46 2.88 -1.26 -5.31 113.62 107.28 2cu8 n SER 75 Ca 0.13 -2.14 0.00 0.00 -1.33 0.00 0.00 58.87 55.53 2cu8 n SER 75 Cb 0.03 0.88 0.00 0.00 -0.75 0.00 0.00 64.21 64.37 2cu8 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42