#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1do9 s LYS 2 N 0.00 1.32 0.52 0.11 2.20 -0.62 -4.45 119.74 118.82 1do9 s LYS 2 Ca 0.00 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.80 1do9 s LYS 2 Cb 0.00 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.72 1do9 s LYS 2 CO 0.00 -0.61 0.00 -3.47 -0.36 0.00 0.00 175.35 170.91 1do9 n ASP 3 N -0.93 -6.35 -3.56 1.43 -0.08 -1.26 -4.47 116.55 101.33 1do9 n ASP 3 Ca -0.05 1.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.96 1do9 n ASP 3 Cb 0.60 -2.82 -0.11 0.00 2.34 0.00 0.00 41.12 41.13 1do9 n ASP 3 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1do9 s VAL 4 N -1.61 1.16 -0.98 5.18 1.01 -1.26 -3.88 120.40 120.01 1do9 s VAL 4 Ca 0.00 -3.14 -0.06 0.00 0.00 0.00 0.00 61.98 58.79 1do9 s VAL 4 Cb 0.00 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.62 1do9 s VAL 4 CO 0.00 -1.15 2.74 1.17 0.00 0.00 0.00 175.10 177.86 1do9 n LYS 5 N 2.61 3.54 0.00 2.72 4.81 -0.52 -4.72 118.16 126.61 1do9 n LYS 5 Ca 0.26 -2.65 0.00 0.00 -0.87 0.00 0.00 58.31 55.05 1do9 n LYS 5 Cb 0.43 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.03 1do9 n LYS 5 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1do9 n TYR 6 N 1.91 0.00 -4.16 5.64 4.01 -1.26 -4.70 117.16 118.60 1do9 n TYR 6 Ca 0.59 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 58.06 1do9 n TYR 6 Cb 0.41 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.36 1do9 n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1do9 s TYR 7 N 0.00 2.94 0.27 -0.72 2.02 -0.42 -4.84 117.35 116.60 1do9 s TYR 7 Ca 0.00 -0.08 -0.10 0.00 -0.37 0.00 0.00 57.07 56.52 1do9 s TYR 7 Cb 0.00 -1.45 -0.07 0.00 -0.40 0.00 0.00 41.96 40.04 1do9 s TYR 7 CO 0.00 0.50 0.60 0.95 -1.57 0.00 0.00 175.55 176.03 1do9 s THR 8 N -1.58 4.89 0.38 -0.71 -4.23 -1.26 -1.47 115.64 111.66 1do9 s THR 8 Ca 0.27 0.51 0.15 0.00 -1.18 0.00 0.00 61.69 61.44 1do9 s THR 8 Cb -0.10 -3.64 0.36 0.00 1.34 0.00 0.00 72.50 70.46 1do9 s THR 8 CO 0.19 -0.17 1.81 -0.07 -0.54 0.00 0.00 174.62 175.84 1do9 h LEU 9 N 2.26 0.52 -0.64 4.79 -0.00 -1.96 0.13 115.31 120.41 1do9 h LEU 9 Ca -0.47 0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.47 1do9 h LEU 9 Cb 1.17 -0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.78 1do9 h LEU 9 CO 0.68 0.17 0.37 -0.08 -0.00 0.00 0.00 178.44 179.57 1do9 h GLU 10 N 0.50 0.88 0.11 1.13 4.81 -1.97 -1.01 114.58 119.02 1do9 h GLU 10 Ca 0.54 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.68 1do9 h GLU 10 Cb 1.22 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1do9 h GLU 10 CO -0.27 0.64 -0.05 1.49 -0.73 0.00 0.00 179.01 180.09 1do9 h GLU 11 N 0.87 -0.15 -0.98 1.92 4.57 -1.14 0.21 114.58 119.87 1do9 h GLU 11 Ca 0.23 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1do9 h GLU 11 Cb 0.01 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.58 1do9 h GLU 11 CO -0.04 -0.04 0.65 0.82 -1.18 0.00 0.00 179.01 179.22 1do9 h ILE 12 N -0.22 1.25 0.00 2.32 2.04 -1.25 0.18 117.51 121.83 1do9 h ILE 12 Ca -0.02 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1do9 h ILE 12 Cb 0.17 -0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.06 1do9 h ILE 12 CO 0.03 0.24 0.00 0.11 0.00 0.00 0.00 178.15 178.53 1do9 h LYS 13 N 1.33 0.00 0.00 2.37 1.57 -0.93 -2.12 116.57 118.80 1do9 h LYS 13 Ca 0.36 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.10 1do9 h LYS 13 Cb -0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1do9 h LYS 13 CO -0.08 0.00 -0.22 0.87 -0.57 0.00 0.00 179.45 179.45 1do9 h LYS 14 N 0.00 0.00 0.00 3.15 6.56 0.25 -3.44 116.57 123.09 1do9 h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1do9 h LYS 14 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 1do9 h LYS 14 CO 0.00 0.22 0.00 0.72 -2.06 0.00 0.00 179.45 178.33 1do9 n HIS 15 N -3.21 0.00 0.00 -1.35 8.25 -0.79 -4.77 115.22 113.35 1do9 n HIS 15 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1do9 n HIS 15 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 1do9 n HIS 15 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1do9 n ASN 16 N 0.00 0.00 -4.81 0.41 5.15 -1.20 -4.89 115.26 109.92 1do9 n ASN 16 Ca 0.00 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.73 1do9 n ASN 16 Cb 0.00 -0.34 0.08 0.00 -0.53 0.00 0.00 39.78 38.99 1do9 n ASN 16 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1do9 s HIS 17 N -2.44 2.51 -1.10 1.20 3.76 -1.26 -4.70 115.29 113.26 1do9 s HIS 17 Ca 0.00 0.20 -0.20 0.00 -0.15 0.00 0.00 55.06 54.91 1do9 s HIS 17 Cb 0.00 -3.16 -0.07 0.00 1.11 0.00 0.00 32.58 30.46 1do9 s HIS 17 CO 0.00 -1.49 1.95 0.45 -0.85 0.00 0.00 174.74 174.80 1do9 n SER 18 N -2.88 3.31 0.00 1.40 2.88 -1.26 -2.87 113.62 114.20 1do9 n SER 18 Ca 0.10 -2.75 0.00 0.00 -1.33 0.00 0.00 58.87 54.89 1do9 n SER 18 Cb 0.60 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 1do9 n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1do9 n LYS 19 N 7.45 0.00 -2.81 -1.46 3.00 -1.26 -5.00 118.16 118.08 1do9 n LYS 19 Ca 0.49 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.69 1do9 n LYS 19 Cb 0.43 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.53 1do9 n LYS 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1do9 n SER 20 N -0.88 -1.46 -4.55 3.14 7.64 -1.15 -4.93 113.62 111.44 1do9 n SER 20 Ca 0.00 -3.32 -0.13 0.00 1.01 0.00 0.00 58.87 56.42 1do9 n SER 20 Cb 0.00 1.16 -0.09 0.00 -1.01 0.00 0.00 64.21 64.27 1do9 n SER 20 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1do9 n THR 21 N 0.17 0.00 -2.57 0.44 -1.04 -1.14 -3.22 114.28 106.92 1do9 n THR 21 Ca 0.08 -0.31 -0.22 0.00 -2.04 0.00 0.00 64.05 61.56 1do9 n THR 21 Cb 0.72 -1.88 0.04 0.00 -1.82 0.00 0.00 70.33 67.39 1do9 n THR 21 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1do9 s TRP 22 N 15.06 2.90 0.23 -1.42 0.51 -1.26 -1.16 118.94 133.80 1do9 s TRP 22 Ca 0.88 0.11 -0.22 0.00 -2.12 0.00 0.00 56.10 54.74 1do9 s TRP 22 Cb -0.12 -2.81 0.04 0.00 -0.81 0.00 0.00 33.47 29.77 1do9 s TRP 22 CO 0.14 -0.94 0.78 -0.48 -0.51 0.00 0.00 176.95 175.94 1do9 s LEU 23 N -4.85 -0.27 -0.53 2.99 0.05 -0.26 -1.03 118.68 114.79 1do9 s LEU 23 Ca 0.57 -0.49 -0.08 0.00 0.05 0.00 0.00 54.13 54.18 1do9 s LEU 23 Cb -0.10 2.54 0.14 0.00 -2.05 0.00 0.00 46.19 46.72 1do9 s LEU 23 CO 0.40 -1.18 0.39 -0.63 -0.55 0.00 0.00 176.35 174.78 1do9 s ILE 24 N -3.71 4.20 -0.20 1.48 1.01 -0.32 -1.96 121.20 121.70 1do9 s ILE 24 Ca 0.10 -2.06 -0.10 0.00 0.00 0.00 0.00 60.65 58.60 1do9 s ILE 24 Cb -0.04 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 1do9 s ILE 24 CO 0.04 -0.81 0.12 -0.76 0.00 0.00 0.00 174.94 173.52 1do9 s LEU 25 N 1.00 4.15 -0.79 2.97 1.43 -1.22 -1.44 118.68 124.79 1do9 s LEU 25 Ca 0.09 0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1do9 s LEU 25 Cb -0.23 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 43.92 1do9 s LEU 25 CO -0.02 0.18 0.63 1.41 0.23 0.00 0.00 176.35 178.78 1do9 n HIS 26 N 3.52 -2.33 -3.38 0.29 8.25 -1.26 -2.43 115.22 117.88 1do9 n HIS 26 Ca -0.16 0.93 -0.17 0.00 -0.26 0.00 0.00 57.72 58.07 1do9 n HIS 26 Cb 0.52 -3.12 -0.05 0.00 1.12 0.00 0.00 29.99 28.46 1do9 n HIS 26 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1do9 n HIS 27 N -2.30 -0.64 -4.18 4.41 1.44 -1.26 -4.91 115.22 107.78 1do9 n HIS 27 Ca -0.22 0.32 -0.12 0.00 -2.01 0.00 0.00 57.72 55.69 1do9 n HIS 27 Cb 0.64 -1.36 -0.10 0.00 0.12 0.00 0.00 29.99 29.29 1do9 n HIS 27 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1do9 s LYS 28 N -5.10 1.24 -0.26 -1.40 1.02 -1.02 -4.04 119.74 110.19 1do9 s LYS 28 Ca 0.06 -1.60 0.02 0.00 0.02 0.00 0.00 55.97 54.48 1do9 s LYS 28 Cb -0.04 0.29 0.06 0.00 -0.52 0.00 0.00 37.83 37.63 1do9 s LYS 28 CO 0.51 -0.42 -0.08 0.08 -0.92 0.00 0.00 175.35 174.52 1do9 s VAL 29 N -4.14 2.00 0.05 3.17 1.01 -0.82 -3.37 120.40 118.31 1do9 s VAL 29 Ca 0.37 -1.57 0.02 0.00 0.00 0.00 0.00 61.98 60.80 1do9 s VAL 29 Cb 0.06 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1do9 s VAL 29 CO 0.12 -0.09 0.08 -0.31 0.00 0.00 0.00 175.10 174.90 1do9 s TYR 30 N 1.17 3.23 -0.26 5.22 2.02 -0.83 -1.95 117.35 125.95 1do9 s TYR 30 Ca -0.07 0.12 0.03 0.00 -0.37 0.00 0.00 57.07 56.78 1do9 s TYR 30 Cb -0.20 -1.66 0.06 0.00 -0.40 0.00 0.00 41.96 39.76 1do9 s TYR 30 CO -0.06 0.53 -0.11 0.34 -1.57 0.00 0.00 175.55 174.68 1do9 s ASP 31 N -2.19 4.39 -0.02 2.29 -1.08 0.07 -1.11 116.67 119.02 1do9 s ASP 31 Ca 0.27 -1.36 0.11 0.00 -0.52 0.00 0.00 52.55 51.06 1do9 s ASP 31 Cb -0.12 -1.55 0.31 0.00 -1.46 0.00 0.00 42.92 40.10 1do9 s ASP 31 CO 0.20 -0.18 1.26 0.18 0.52 0.00 0.00 175.17 177.14 1do9 n LEU 32 N 4.44 2.98 -0.16 -1.34 4.77 -0.31 -4.71 117.00 122.67 1do9 n LEU 32 Ca -0.14 -2.13 -0.04 0.00 -0.03 0.00 0.00 56.01 53.67 1do9 n LEU 32 Cb 0.42 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1do9 n LEU 32 CO 0.21 0.71 0.72 0.74 -1.33 0.00 0.00 177.39 178.44 1do9 h THR 33 N 1.84 0.38 0.00 -5.08 2.02 -1.90 0.11 112.91 110.28 1do9 h THR 33 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1do9 h THR 33 Cb 0.80 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1do9 h THR 33 CO 0.03 0.00 0.00 2.29 0.37 0.00 0.00 175.52 178.21 1do9 n LYS 34 N -5.40 0.01 0.00 6.66 -0.00 -1.26 -2.65 118.16 115.51 1do9 n LYS 34 Ca 0.04 0.07 0.09 0.00 -0.00 0.00 0.00 58.31 58.52 1do9 n LYS 34 Cb 0.31 -1.51 -0.09 0.00 -0.00 0.00 0.00 35.03 33.74 1do9 n LYS 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1do9 n PHE 35 N -1.52 0.00 0.04 5.58 7.35 -0.07 -4.54 117.46 124.30 1do9 n PHE 35 Ca 0.06 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.65 1do9 n PHE 35 Cb 0.30 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.06 1do9 n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1do9 h LEU 36 N 0.31 -1.04 -1.46 -2.13 3.38 -0.64 0.27 115.31 114.00 1do9 h LEU 36 Ca 0.00 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1do9 h LEU 36 Cb 0.47 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1do9 h LEU 36 CO 0.00 -0.34 0.01 -0.62 0.09 0.00 0.00 178.44 177.59 1do9 n GLU 37 N -4.36 1.17 0.00 1.13 1.02 -1.26 -3.10 120.64 115.24 1do9 n GLU 37 Ca -0.05 -0.17 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 1do9 n GLU 37 Cb 0.25 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1do9 n GLU 37 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1do9 n GLU 38 N 0.16 0.22 -2.90 3.49 1.02 -0.29 -5.07 120.64 117.27 1do9 n GLU 38 Ca 0.02 -0.11 -0.42 0.00 -0.02 0.00 0.00 57.16 56.63 1do9 n GLU 38 Cb 0.39 -0.54 -0.04 0.00 -0.02 0.00 0.00 31.44 31.23 1do9 n GLU 38 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1do9 s HIS 39 N -0.06 3.36 -0.95 -0.32 2.46 0.81 -4.96 115.29 115.62 1do9 s HIS 39 Ca 0.00 1.18 -0.24 0.00 0.47 0.00 0.00 55.06 56.47 1do9 s HIS 39 Cb 0.00 -3.03 -0.02 0.00 -0.13 0.00 0.00 32.58 29.40 1do9 s HIS 39 CO 0.00 -0.33 1.81 -1.25 -2.47 0.00 0.00 174.74 172.50 1do9 s PRO 40 N 2.53 2.85 0.00 2.88 0.04 -1.26 -3.81 135.00 138.23 1do9 s PRO 40 Ca 0.36 -0.56 0.00 0.00 0.04 0.00 0.00 61.00 60.84 1do9 s PRO 40 Cb -0.16 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1do9 s PRO 40 CO 0.09 -3.07 0.00 0.41 0.04 0.00 0.00 177.00 174.48 1do9 n GLY 41 N 6.81 -1.38 3.56 0.56 0.00 -1.26 -5.12 105.19 108.37 1do9 n GLY 41 Ca 0.38 0.45 -0.13 0.00 0.00 0.00 0.00 46.02 46.73 1do9 n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1do9 s GLY 42 N 0.00 -0.50 0.12 -0.02 0.00 -1.25 -5.03 107.32 100.64 1do9 s GLY 42 Ca 0.00 1.90 0.03 0.00 0.00 0.00 0.00 44.72 46.64 1do9 s GLY 42 CO 0.00 1.68 1.27 1.05 0.00 0.00 0.00 173.10 177.10 1do9 h GLU 43 N 5.36 0.12 -0.04 2.90 -0.00 -1.83 -3.37 114.58 117.72 1do9 h GLU 43 Ca -0.29 -0.18 -0.21 0.00 -0.00 0.00 0.00 59.36 58.68 1do9 h GLU 43 Cb 1.17 0.06 -0.00 0.00 -0.00 0.00 0.00 28.75 29.99 1do9 h GLU 43 CO 0.11 1.04 -0.84 1.49 -0.00 0.00 0.00 179.01 180.81 1do9 h GLU 44 N 0.04 0.43 -0.17 1.06 4.81 -1.96 -0.07 114.58 118.73 1do9 h GLU 44 Ca -0.05 -0.40 0.05 0.00 -0.13 0.00 0.00 59.36 58.82 1do9 h GLU 44 Cb 1.75 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 31.22 1do9 h GLU 44 CO 0.15 1.05 0.33 -0.39 -0.73 0.00 0.00 179.01 179.42 1do9 h VAL 45 N 0.27 0.20 0.00 0.32 -1.51 -1.99 -0.21 116.25 113.33 1do9 h VAL 45 Ca -0.06 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 65.23 1do9 h VAL 45 Cb 1.45 0.71 -0.03 0.00 -2.13 0.00 0.00 31.29 31.29 1do9 h VAL 45 CO 0.15 0.00 -0.88 -0.07 -1.23 0.00 0.00 177.57 175.54 1do9 h LEU 46 N 0.00 0.00 0.00 4.19 3.38 -1.17 -3.18 115.31 118.53 1do9 h LEU 46 Ca 0.08 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1do9 h LEU 46 Cb 0.74 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1do9 h LEU 46 CO -0.00 0.88 -0.84 0.03 0.09 0.00 0.00 178.44 178.60 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 3.08 -1.04 -2.77 114.38 114.78 1do9 h ARG 47 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1do9 h ARG 47 Cb 1.63 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.68 1do9 h ARG 47 CO 0.11 0.64 -0.07 0.93 -1.07 0.00 0.00 179.97 180.52 1do9 h GLU 48 N 0.00 0.00 -0.10 0.04 4.39 -1.31 -1.91 114.58 115.68 1do9 h GLU 48 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1do9 h GLU 48 Cb 1.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.22 1do9 h GLU 48 CO 0.09 0.07 0.00 1.04 -1.16 0.00 0.00 179.01 179.05 1do9 n GLN 49 N -3.52 1.40 -2.09 2.33 1.13 -1.24 -4.98 117.38 110.41 1do9 n GLN 49 Ca -0.02 -1.34 -0.37 0.00 -1.94 0.00 0.00 57.00 53.33 1do9 n GLN 49 Cb 0.19 -1.13 0.01 0.00 0.11 0.00 0.00 30.24 29.42 1do9 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1do9 s ALA 50 N -0.76 2.85 -1.28 -1.58 0.00 -0.72 -0.97 121.76 119.30 1do9 s ALA 50 Ca 0.10 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1do9 s ALA 50 Cb 0.06 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1do9 s ALA 50 CO 0.08 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.31 1do9 n GLY 51 N 0.51 1.15 3.25 0.00 0.00 -0.20 -4.87 105.19 105.03 1do9 n GLY 51 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 1do9 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1do9 s GLY 52 N -2.04 1.94 -0.93 -0.02 0.00 -0.14 -4.41 107.32 101.72 1do9 s GLY 52 Ca 0.00 -1.91 -0.24 0.00 0.00 0.00 0.00 44.72 42.57 1do9 s GLY 52 CO 0.00 -1.44 1.37 -0.35 0.00 0.00 0.00 173.10 172.68 1do9 s ASP 53 N -3.28 6.40 0.00 1.64 -1.08 -1.26 -1.18 116.67 117.92 1do9 s ASP 53 Ca 0.40 -1.19 0.28 0.00 -0.52 0.00 0.00 52.55 51.52 1do9 s ASP 53 Cb 0.04 -2.55 1.53 0.00 -1.46 0.00 0.00 42.92 40.48 1do9 s ASP 53 CO 0.21 -1.57 2.00 0.00 0.52 0.00 0.00 175.17 176.32 1do9 n ALA 54 N 8.86 2.46 -0.36 3.66 0.00 -0.52 -4.18 120.51 130.42 1do9 n ALA 54 Ca 0.23 -0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.56 1do9 n ALA 54 Cb 0.50 -1.46 0.19 0.00 0.00 0.00 0.00 19.45 18.68 1do9 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1do9 h THR 55 N 0.00 1.03 -0.56 0.00 2.02 -1.87 0.30 112.91 113.84 1do9 h THR 55 Ca 0.00 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 1do9 h THR 55 Cb 0.16 -0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.37 1do9 h THR 55 CO 0.00 0.20 0.18 -0.33 0.37 0.00 0.00 175.52 175.94 1do9 h GLU 56 N 1.11 0.82 -0.06 6.66 5.08 -1.94 -1.21 114.58 125.04 1do9 h GLU 56 Ca 0.45 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1do9 h GLU 56 Cb 0.27 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1do9 h GLU 56 CO -0.20 0.71 -0.03 -0.91 -1.00 0.00 0.00 179.01 177.58 1do9 h ASN 57 N 0.81 0.13 -0.78 1.42 -0.26 -1.29 -1.37 115.58 114.23 1do9 h ASN 57 Ca 0.19 -0.40 0.05 0.00 -0.56 0.00 0.00 56.30 55.57 1do9 h ASN 57 Cb 0.22 -0.04 -0.06 0.00 -1.06 0.00 0.00 38.32 37.39 1do9 h ASN 57 CO -0.01 0.50 0.48 0.15 -1.06 0.00 0.00 177.43 177.49 1do9 h PHE 58 N -0.25 0.88 -0.30 1.19 3.04 -0.80 -2.19 116.94 118.52 1do9 h PHE 58 Ca 0.01 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.91 1do9 h PHE 58 Cb 0.45 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 1do9 h PHE 58 CO 0.06 0.46 -0.13 0.93 -2.02 0.00 0.00 178.31 177.61 1do9 h GLU 59 N 0.89 0.62 -0.28 1.11 4.39 -1.22 -2.44 114.58 117.65 1do9 h GLU 59 Ca 0.34 -0.26 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 1do9 h GLU 59 Cb 0.13 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1do9 h GLU 59 CO -0.16 0.84 -0.07 0.22 -1.16 0.00 0.00 179.01 178.68 1do9 h ASP 60 N 0.37 0.42 0.09 1.42 3.58 -1.01 -0.31 116.42 120.98 1do9 h ASP 60 Ca 0.07 -0.09 -0.15 0.00 0.42 0.00 0.00 57.03 57.28 1do9 h ASP 60 Cb 0.65 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 1do9 h ASP 60 CO 0.04 0.54 -0.51 0.58 -2.88 0.00 0.00 179.24 177.01 1do9 h VAL 61 N 0.42 1.33 -3.60 2.25 2.07 -1.38 -3.48 116.25 113.86 1do9 h VAL 61 Ca 0.09 -1.74 -0.17 0.00 0.82 0.00 0.00 66.70 65.70 1do9 h VAL 61 Cb 0.39 1.75 0.08 0.00 -1.52 0.00 0.00 31.29 31.98 1do9 h VAL 61 CO 0.02 0.54 -0.35 0.61 0.02 0.00 0.00 177.57 178.40 1do9 n GLY 62 N 0.14 0.12 3.33 2.17 0.00 -0.13 -4.97 105.19 105.85 1do9 n GLY 62 Ca -0.02 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1do9 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1do9 n HIS 63 N -2.85 -2.23 -1.95 1.61 8.25 -1.24 -5.01 115.22 111.79 1do9 n HIS 63 Ca -0.09 0.18 -0.29 0.00 -0.26 0.00 0.00 57.72 57.26 1do9 n HIS 63 Cb 0.56 -1.71 0.08 0.00 1.12 0.00 0.00 29.99 30.04 1do9 n HIS 63 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1do9 s SER 64 N -1.79 4.77 0.33 0.41 1.04 -1.26 -4.90 113.70 112.28 1do9 s SER 64 Ca 0.53 0.81 0.05 0.00 0.48 0.00 0.00 55.95 57.82 1do9 s SER 64 Cb -0.21 -1.40 0.57 0.00 0.10 0.00 0.00 66.02 65.09 1do9 s SER 64 CO 0.71 -1.73 1.83 0.74 0.98 0.00 0.00 173.24 175.77 1do9 h THR 65 N -0.89 1.22 -0.67 2.02 2.02 -1.98 -1.21 112.91 113.41 1do9 h THR 65 Ca -0.46 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 65.78 1do9 h THR 65 Cb 1.31 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 68.79 1do9 h THR 65 CO 0.65 0.31 0.37 0.44 0.37 0.00 0.00 175.52 177.65 1do9 h ASP 66 N 0.44 0.82 0.23 4.18 5.19 -1.99 0.23 116.42 125.52 1do9 h ASP 66 Ca 0.09 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1do9 h ASP 66 Cb 0.44 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1do9 h ASP 66 CO 0.02 0.66 -0.11 0.00 -3.12 0.00 0.00 179.24 176.69 1do9 h ALA 67 N 1.48 -0.31 -0.79 3.45 0.00 -1.79 -2.08 119.26 119.21 1do9 h ALA 67 Ca 0.24 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.20 1do9 h ALA 67 Cb 0.02 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1do9 h ALA 67 CO -0.04 -0.51 0.57 0.00 0.00 0.00 0.00 179.25 179.28 1do9 h ARG 68 N -0.64 0.00 0.04 0.00 2.47 -0.53 -0.30 114.38 115.43 1do9 h ARG 68 Ca -0.03 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.58 1do9 h ARG 68 Cb 0.46 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.79 1do9 h ARG 68 CO 0.05 0.00 -0.46 0.93 0.56 0.00 0.00 179.97 181.05 1do9 h GLU 69 N 0.00 0.24 -0.66 0.04 5.08 -0.75 -2.87 114.58 115.65 1do9 h GLU 69 Ca 0.37 -0.31 0.18 0.00 -1.00 0.00 0.00 59.36 58.60 1do9 h GLU 69 Cb 1.52 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.84 1do9 h GLU 69 CO -0.00 1.07 0.47 -0.07 -1.00 0.00 0.00 179.01 179.47 1do9 h LEU 70 N -0.45 0.09 -0.44 1.33 -0.00 -0.60 0.25 115.31 115.49 1do9 h LEU 70 Ca -0.07 0.01 0.09 0.00 -0.00 0.00 0.00 57.88 57.90 1do9 h LEU 70 Cb 1.27 -0.01 -0.08 0.00 -0.00 0.00 0.00 40.66 41.83 1do9 h LEU 70 CO 0.09 0.05 -0.10 0.28 -0.00 0.00 0.00 178.44 178.75 1do9 h SER 71 N 0.10 -0.39 0.52 -0.43 0.02 -0.87 -1.27 113.55 111.23 1do9 h SER 71 Ca 0.32 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1do9 h SER 71 Cb 1.13 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1do9 h SER 71 CO -0.03 -0.14 0.00 0.50 -1.14 0.00 0.00 176.83 176.02 1do9 h LYS 72 N 0.01 0.00 -0.36 3.45 3.64 -0.44 -0.33 116.57 122.54 1do9 h LYS 72 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1do9 h LYS 72 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1do9 h LYS 72 CO -0.45 0.00 0.00 -2.37 -2.27 0.00 0.00 179.45 174.36 1do9 n THR 73 N -3.03 0.47 0.05 1.00 5.66 -0.52 -4.11 114.28 113.81 1do9 n THR 73 Ca -0.01 -0.62 0.01 0.00 -3.05 0.00 0.00 64.05 60.38 1do9 n THR 73 Cb 0.19 0.62 -0.01 0.00 -1.55 0.00 0.00 70.33 69.58 1do9 n THR 73 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1do9 n PHE 74 N 1.02 0.00 -1.88 1.09 3.72 -0.18 -4.63 117.46 116.61 1do9 n PHE 74 Ca 0.18 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.17 1do9 n PHE 74 Cb 0.48 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.99 1do9 n PHE 74 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1do9 s ILE 75 N -1.37 2.30 0.00 4.37 2.07 -0.92 -0.75 121.20 126.89 1do9 s ILE 75 Ca 0.00 0.26 0.00 0.00 -1.41 0.00 0.00 60.65 59.50 1do9 s ILE 75 Cb 0.01 -3.17 0.00 0.00 0.13 0.00 0.00 42.46 39.43 1do9 s ILE 75 CO 0.06 0.04 0.17 2.30 -1.91 0.00 0.00 174.94 175.61 1do9 n ILE 76 N 2.04 0.00 -0.47 2.00 -6.64 -0.82 -1.59 119.36 113.87 1do9 n ILE 76 Ca 0.07 -0.33 0.00 0.00 -1.77 0.00 0.00 62.75 60.72 1do9 n ILE 76 Cb 0.39 1.17 0.00 0.00 -1.44 0.00 0.00 39.64 39.76 1do9 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1do9 n GLY 77 N 0.32 -1.16 3.25 3.28 0.00 -1.21 -1.44 105.19 108.23 1do9 n GLY 77 Ca 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 1do9 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1do9 s GLU 78 N -1.70 1.07 -0.05 1.61 2.02 -1.26 -1.95 118.70 118.45 1do9 s GLU 78 Ca 0.00 -1.48 -0.30 0.00 0.02 0.00 0.00 54.97 53.21 1do9 s GLU 78 Cb 0.00 -0.50 -0.05 0.00 0.10 0.00 0.00 34.13 33.68 1do9 s GLU 78 CO 0.00 0.00 1.58 -0.51 0.02 0.00 0.00 175.26 176.35 1do9 s LEU 79 N -3.17 4.31 0.85 1.80 1.02 -1.26 -1.30 118.68 120.94 1do9 s LEU 79 Ca 0.19 2.18 -0.14 0.00 0.02 0.00 0.00 54.13 56.38 1do9 s LEU 79 Cb 0.04 -3.54 0.01 0.00 0.02 0.00 0.00 46.19 42.72 1do9 s LEU 79 CO 0.01 -0.88 0.52 1.41 0.02 0.00 0.00 176.35 177.43 1do9 n HIS 80 N 6.72 -0.99 -2.41 0.29 8.25 -0.54 -4.79 115.22 121.75 1do9 n HIS 80 Ca 0.16 0.29 -0.38 0.00 -0.26 0.00 0.00 57.72 57.53 1do9 n HIS 80 Cb 0.43 -1.86 -0.02 0.00 1.12 0.00 0.00 29.99 29.66 1do9 n HIS 80 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1do9 s PRO 81 N -3.35 3.49 0.31 -0.41 0.04 -1.26 -3.66 135.00 130.16 1do9 s PRO 81 Ca 0.61 -1.71 0.00 0.00 0.04 0.00 0.00 61.00 59.95 1do9 s PRO 81 Cb -0.27 -5.44 0.00 0.00 0.04 0.00 0.00 34.50 28.83 1do9 s PRO 81 CO 0.63 -2.83 0.00 -3.47 0.04 0.00 0.00 177.00 171.36 1do9 n ASP 82 N 10.40 -1.62 0.08 6.66 -0.08 -1.26 -4.91 116.55 125.81 1do9 n ASP 82 Ca 0.47 0.57 0.11 0.00 -1.51 0.00 0.00 54.79 54.43 1do9 n ASP 82 Cb 0.46 1.66 0.44 0.00 2.34 0.00 0.00 41.12 46.02 1do9 n ASP 82 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1do9 n ASP 83 N -3.31 0.45 0.06 1.67 2.03 -1.24 -3.41 116.55 112.79 1do9 n ASP 83 Ca 0.00 0.59 0.14 0.00 0.52 0.00 0.00 54.79 56.04 1do9 n ASP 83 Cb 0.00 -0.69 0.62 0.00 -0.72 0.00 0.00 41.12 40.33 1do9 n ASP 83 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1do9 h ARG 84 N 0.00 0.11 0.00 -0.67 1.12 -1.91 -1.84 114.38 111.19 1do9 h ARG 84 Ca 0.00 -0.01 -0.02 0.00 -1.11 0.00 0.00 59.98 58.84 1do9 h ARG 84 Cb 0.40 -0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 30.29 1do9 h ARG 84 CO 0.00 0.07 -0.37 0.45 -3.11 0.00 0.00 179.97 177.01 1do9 n SER 85 N -4.45 1.36 -0.02 -3.80 2.88 -1.22 -4.78 113.62 103.59 1do9 n SER 85 Ca 0.06 -2.77 -0.03 0.00 -1.33 0.00 0.00 58.87 54.80 1do9 n SER 85 Cb 0.37 -0.36 -0.03 0.00 -0.75 0.00 0.00 64.21 63.44 1do9 n SER 85 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1do9 n LYS 86 N -0.70 2.52 0.19 -1.46 4.81 -0.71 -4.62 118.16 118.19 1do9 n LYS 86 Ca 0.10 0.01 0.04 0.00 -0.87 0.00 0.00 58.31 57.59 1do9 n LYS 86 Cb 0.73 -1.12 0.44 0.00 0.02 0.00 0.00 35.03 35.11 1do9 n LYS 86 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1do9 h LEU 87 N 0.00 0.06 -7.93 3.14 3.38 -1.82 -3.39 115.31 108.75 1do9 h LEU 87 Ca -0.13 -0.01 -0.50 0.00 0.09 0.00 0.00 57.88 57.34 1do9 h LEU 87 Cb 1.26 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 1do9 h LEU 87 CO 0.00 0.27 1.60 -0.55 0.09 0.00 0.00 178.44 179.86 1do9 s SER 88 N -6.96 5.89 -0.03 -0.43 0.15 -1.26 -4.88 113.70 106.18 1do9 s SER 88 Ca -0.04 -2.02 -0.03 0.00 0.70 0.00 0.00 55.95 54.56 1do9 s SER 88 Cb 0.15 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.89 1do9 s SER 88 CO 0.71 -2.17 0.08 -0.75 1.20 0.00 0.00 173.24 172.31 1do9 s LYS 89 N 5.41 0.09 1.06 5.44 2.20 -1.26 -5.11 119.74 127.56 1do9 s LYS 89 Ca 0.61 0.12 -0.16 0.00 -0.36 0.00 0.00 55.97 56.18 1do9 s LYS 89 Cb 0.01 0.03 0.23 0.00 -1.51 0.00 0.00 37.83 36.59 1do9 s LYS 89 CO 0.10 -0.02 1.17 -1.25 -0.36 0.00 0.00 175.35 175.00 1do9 s PRO 90 N 0.10 -0.11 0.11 4.03 0.04 -1.26 -5.05 135.00 132.86 1do9 s PRO 90 Ca -0.00 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 60.99 1do9 s PRO 90 Cb -0.01 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1do9 s PRO 90 CO -0.00 -2.98 0.00 -0.12 0.04 0.00 0.00 177.00 173.94 1do9 n MET 91 N -4.24 0.00 -0.73 4.56 1.56 -1.26 -5.16 117.12 111.84 1do9 n MET 91 Ca 0.12 0.00 0.09 0.00 -0.27 0.00 0.00 57.70 57.64 1do9 n MET 91 Cb 0.59 -0.46 -0.03 0.00 2.15 0.00 0.00 33.22 35.47 1do9 n MET 91 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1do9 n GLU 92 N -3.48 -1.58 -3.15 2.12 2.13 -1.26 -5.08 120.64 110.33 1do9 n GLU 92 Ca 0.00 1.16 -0.10 0.00 0.66 0.00 0.00 57.16 58.88 1do9 n GLU 92 Cb 0.00 -1.89 -0.04 0.00 0.27 0.00 0.00 31.44 29.78 1do9 n GLU 92 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1do9 n THR 93 N -3.33 0.00 0.00 6.31 -2.24 -1.26 -5.35 114.28 108.42 1do9 n THR 93 Ca -0.02 -1.25 0.00 0.00 -2.27 0.00 0.00 64.05 60.51 1do9 n THR 93 Cb 0.34 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 1do9 n THR 93 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68