#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 1.28 0.36 0.11 -0.14 -1.26 -5.13 119.74 114.96 1do9 s LYS 2 Ca 0.00 -0.54 -0.24 0.00 -1.36 0.00 0.00 55.97 53.83 1do9 s LYS 2 Cb 0.00 0.55 -0.14 0.00 -1.68 0.00 0.00 37.83 36.56 1do9 s LYS 2 CO 0.00 -0.57 0.62 -0.40 -0.76 0.00 0.00 175.35 174.24 1do9 n ASP 3 N -0.37 -0.58 0.00 2.83 5.75 -1.26 -4.99 116.55 117.93 1do9 n ASP 3 Ca -0.13 0.99 0.00 0.00 -0.01 0.00 0.00 54.79 55.64 1do9 n ASP 3 Cb 0.63 -1.11 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 1do9 n ASP 3 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1do9 n VAL 4 N -0.52 0.00 -3.64 2.12 0.31 -1.26 -5.14 118.33 110.20 1do9 n VAL 4 Ca 0.12 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.25 1do9 n VAL 4 Cb 0.36 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.12 1do9 n VAL 4 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1do9 s LYS 5 N 4.70 0.00 -0.31 5.55 1.02 -1.26 -5.06 119.74 124.38 1do9 s LYS 5 Ca 0.00 0.31 0.04 0.00 0.02 0.00 0.00 55.97 56.33 1do9 s LYS 5 Cb 0.00 -0.82 0.09 0.00 -0.52 0.00 0.00 37.83 36.58 1do9 s LYS 5 CO 0.00 -0.43 -0.00 0.71 -0.92 0.00 0.00 175.35 174.71 1do9 s TYR 6 N 2.21 3.61 -0.01 3.18 2.02 -1.26 -0.30 117.35 126.79 1do9 s TYR 6 Ca 0.04 -2.79 0.00 0.00 -0.37 0.00 0.00 57.07 53.95 1do9 s TYR 6 Cb -0.13 -2.61 -0.04 0.00 -0.40 0.00 0.00 41.96 38.78 1do9 s TYR 6 CO -0.06 -0.93 0.04 0.71 -1.57 0.00 0.00 175.55 173.75 1do9 s TYR 7 N 0.97 3.19 0.29 2.71 2.02 -1.22 -4.78 117.35 120.53 1do9 s TYR 7 Ca 0.05 0.16 -0.18 0.00 -0.37 0.00 0.00 57.07 56.72 1do9 s TYR 7 Cb -0.19 -1.72 -0.09 0.00 -0.40 0.00 0.00 41.96 39.56 1do9 s TYR 7 CO -0.07 0.51 0.77 0.95 -1.57 0.00 0.00 175.55 176.14 1do9 s THR 8 N -1.12 4.57 0.33 -0.71 -4.23 -1.26 -2.32 115.64 110.89 1do9 s THR 8 Ca 0.21 1.20 0.11 0.00 -1.18 0.00 0.00 61.69 62.02 1do9 s THR 8 Cb -0.12 -3.74 0.32 0.00 1.34 0.00 0.00 72.50 70.31 1do9 s THR 8 CO 0.11 -0.02 1.67 -0.07 -0.54 0.00 0.00 174.62 175.78 1do9 h LEU 9 N 2.76 0.44 0.22 4.79 -0.00 -1.99 0.31 115.31 121.84 1do9 h LEU 9 Ca -0.48 0.18 0.01 0.00 -0.00 0.00 0.00 57.88 57.59 1do9 h LEU 9 Cb 1.18 0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 41.96 1do9 h LEU 9 CO 0.65 -0.09 -0.30 -0.33 -0.00 0.00 0.00 178.44 178.36 1do9 h GLU 10 N 0.35 -0.56 -0.71 1.13 3.07 -1.93 0.36 114.58 116.30 1do9 h GLU 10 Ca 0.68 0.04 0.13 0.00 -0.50 0.00 0.00 59.36 59.71 1do9 h GLU 10 Cb 1.47 0.13 -0.09 0.00 -0.84 0.00 0.00 28.75 29.42 1do9 h GLU 10 CO -0.59 -0.37 0.27 1.49 -1.40 0.00 0.00 179.01 178.40 1do9 h GLU 11 N -0.58 0.40 0.00 2.33 4.57 -0.78 0.21 114.58 120.73 1do9 h GLU 11 Ca 0.01 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 1do9 h GLU 11 Cb 0.57 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1do9 h GLU 11 CO -0.12 0.27 -0.21 0.82 -1.18 0.00 0.00 179.01 178.59 1do9 h ILE 12 N 0.42 0.51 -0.28 2.32 5.03 -0.77 -2.02 117.51 122.72 1do9 h ILE 12 Ca 0.38 -1.12 -0.04 0.00 -0.12 0.00 0.00 64.86 63.96 1do9 h ILE 12 Cb 0.56 1.78 -0.03 0.00 -3.03 0.00 0.00 36.82 36.10 1do9 h ILE 12 CO -0.39 0.21 0.05 0.29 -0.68 0.00 0.00 178.15 177.64 1do9 n LYS 13 N -3.36 2.47 -0.03 2.37 5.02 0.12 -3.51 118.16 121.25 1do9 n LYS 13 Ca 0.00 -1.35 -0.02 0.00 -2.02 0.00 0.00 58.31 54.93 1do9 n LYS 13 Cb 0.44 -1.77 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 1do9 n LYS 13 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1do9 n LYS 14 N 0.18 2.16 0.00 1.97 5.02 -0.75 -4.96 118.16 121.78 1do9 n LYS 14 Ca 0.15 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1do9 n LYS 14 Cb 0.73 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 1do9 n LYS 14 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1do9 n HIS 15 N -2.15 0.00 -3.36 2.13 8.25 -1.23 -4.80 115.22 114.06 1do9 n HIS 15 Ca -0.09 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.14 1do9 n HIS 15 Cb 0.61 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.71 1do9 n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1do9 n ASN 16 N 0.00 -3.54 0.00 0.41 0.23 -1.26 -4.83 115.26 106.27 1do9 n ASN 16 Ca 0.00 -0.38 0.00 0.00 -0.53 0.00 0.00 54.58 53.67 1do9 n ASN 16 Cb 0.00 -2.94 0.00 0.00 -2.08 0.00 0.00 39.78 34.76 1do9 n ASN 16 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1do9 n HIS 17 N -3.88 0.00 -2.66 -2.53 8.25 -1.26 -4.96 115.22 108.18 1do9 n HIS 17 Ca -0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.41 1do9 n HIS 17 Cb 0.54 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.75 1do9 n HIS 17 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1do9 n SER 18 N -0.51 -1.21 0.00 0.41 3.41 -1.26 -4.95 113.62 109.51 1do9 n SER 18 Ca 0.00 -1.78 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 1do9 n SER 18 Cb 0.00 0.99 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 1do9 n SER 18 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1do9 n LYS 19 N 0.80 0.00 -2.72 4.33 3.00 -1.26 -4.99 118.16 117.32 1do9 n LYS 19 Ca -0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.18 1do9 n LYS 19 Cb 0.74 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.84 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 -0.25 -0.01 -4.49 3.14 7.64 -1.26 -4.92 113.62 113.47 1do9 n SER 20 Ca 0.00 -2.69 -0.42 0.00 1.01 0.00 0.00 58.87 56.77 1do9 n SER 20 Cb 0.00 0.15 -0.10 0.00 -1.01 0.00 0.00 64.21 63.25 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 -0.21 -0.00 -3.51 0.44 -1.04 -1.26 -4.11 114.28 104.59 1do9 n THR 21 Ca 0.06 -0.27 -0.22 0.00 -2.04 0.00 0.00 64.05 61.58 1do9 n THR 21 Cb 0.81 -1.31 -0.00 0.00 -1.82 0.00 0.00 70.33 68.01 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 9.57 2.13 -0.03 -1.42 0.52 -1.26 -1.86 118.94 126.58 1do9 s TRP 22 Ca 1.21 -0.64 -0.30 0.00 0.02 0.00 0.00 56.10 56.39 1do9 s TRP 22 Cb -0.91 -2.12 0.11 0.00 -1.15 0.00 0.00 33.47 29.40 1do9 s TRP 22 CO 0.43 -0.46 1.06 -0.48 0.02 0.00 0.00 176.95 177.53 1do9 s LEU 23 N -4.30 -0.21 -0.39 2.99 0.05 -0.73 -0.52 118.68 115.56 1do9 s LEU 23 Ca 0.47 -0.09 -0.03 0.00 0.05 0.00 0.00 54.13 54.53 1do9 s LEU 23 Cb -0.04 1.75 0.10 0.00 -2.05 0.00 0.00 46.19 45.95 1do9 s LEU 23 CO 0.29 -0.50 0.17 -0.63 -0.55 0.00 0.00 176.35 175.13 1do9 s ILE 24 N -2.82 3.29 -0.57 1.48 1.09 0.40 -1.70 121.20 122.37 1do9 s ILE 24 Ca 0.09 -1.91 -0.01 0.00 -1.10 0.00 0.00 60.65 57.71 1do9 s ILE 24 Cb -0.00 -3.19 0.15 0.00 -1.06 0.00 0.00 42.46 38.36 1do9 s ILE 24 CO -0.05 -0.59 0.36 -0.76 -0.10 0.00 0.00 174.94 173.80 1do9 s LEU 25 N 1.17 5.04 -0.08 2.97 1.43 -1.22 -2.21 118.68 125.78 1do9 s LEU 25 Ca 0.06 -2.75 -0.02 0.00 -1.03 0.00 0.00 54.13 50.38 1do9 s LEU 25 Cb -0.22 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1do9 s LEU 25 CO -0.03 -0.36 0.10 1.41 0.23 0.00 0.00 176.35 177.69 1do9 n HIS 26 N 3.58 -0.56 -3.52 0.29 8.25 -1.26 -4.18 115.22 117.82 1do9 n HIS 26 Ca 0.06 0.22 -0.14 0.00 -0.26 0.00 0.00 57.72 57.60 1do9 n HIS 26 Cb 0.37 -1.93 -0.01 0.00 1.12 0.00 0.00 29.99 29.54 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 -0.59 -0.48 -3.83 4.41 1.44 -1.26 -4.88 115.22 110.04 1do9 n HIS 27 Ca 0.02 0.12 -0.10 0.00 -2.01 0.00 0.00 57.72 55.75 1do9 n HIS 27 Cb 0.15 -1.01 -0.06 0.00 0.12 0.00 0.00 29.99 29.19 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 -5.28 1.10 -0.28 -1.40 1.02 -1.26 -3.64 119.74 110.00 1do9 s LYS 28 Ca 0.09 -0.97 0.01 0.00 0.02 0.00 0.00 55.97 55.13 1do9 s LYS 28 Cb -0.05 0.41 0.06 0.00 -0.52 0.00 0.00 37.83 37.73 1do9 s LYS 28 CO 0.36 -0.41 -0.05 0.08 -0.92 0.00 0.00 175.35 174.41 1do9 s VAL 29 N -3.89 2.56 0.28 3.17 1.01 -0.56 -3.42 120.40 119.56 1do9 s VAL 29 Ca 0.10 -1.56 0.08 0.00 0.00 0.00 0.00 61.98 60.59 1do9 s VAL 29 Cb 0.03 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1do9 s VAL 29 CO -0.06 -0.10 0.15 -0.31 0.00 0.00 0.00 175.10 174.78 1do9 s TYR 30 N 1.16 2.91 -0.27 5.22 2.02 -0.69 -0.93 117.35 126.77 1do9 s TYR 30 Ca -0.06 -0.21 -0.01 0.00 -0.37 0.00 0.00 57.07 56.42 1do9 s TYR 30 Cb -0.20 -1.44 0.13 0.00 -0.40 0.00 0.00 41.96 40.05 1do9 s TYR 30 CO -0.03 0.47 0.30 0.34 -1.57 0.00 0.00 175.55 175.05 1do9 s ASP 31 N -3.82 1.38 -0.43 2.29 2.15 0.90 -1.78 116.67 117.35 1do9 s ASP 31 Ca 0.34 -0.51 0.04 0.00 0.43 0.00 0.00 52.55 52.85 1do9 s ASP 31 Cb -0.06 0.59 0.47 0.00 -0.30 0.00 0.00 42.92 43.61 1do9 s ASP 31 CO 0.23 -0.36 1.55 0.00 -0.17 0.00 0.00 175.17 176.42 1do9 n LEU 32 N 5.32 5.86 0.23 -1.34 -0.00 -0.78 -4.61 117.00 121.69 1do9 n LEU 32 Ca -0.03 -4.43 -0.15 0.00 -0.00 0.00 0.00 56.01 51.39 1do9 n LEU 32 Cb 0.48 -0.62 -0.08 0.00 -0.00 0.00 0.00 43.42 43.19 1do9 n LEU 32 CO 0.03 1.75 0.74 0.74 -0.00 0.00 0.00 177.39 180.64 1do9 h THR 33 N 1.57 0.62 0.00 1.47 2.02 -1.91 0.42 112.91 117.10 1do9 h THR 33 Ca 0.44 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.61 1do9 h THR 33 Cb 1.32 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1do9 h THR 33 CO 1.02 0.00 0.00 1.17 0.37 0.00 0.00 175.52 178.08 1do9 n LYS 34 N -5.31 0.73 -0.00 6.66 0.00 -1.26 -2.42 118.16 116.56 1do9 n LYS 34 Ca -0.11 0.00 0.09 0.00 0.00 0.00 0.00 58.31 58.30 1do9 n LYS 34 Cb 0.23 -1.50 -0.12 0.00 0.00 0.00 0.00 35.03 33.64 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 -1.12 0.00 0.07 5.64 7.35 -0.69 -4.37 117.46 124.33 1do9 n PHE 35 Ca 0.19 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.75 1do9 n PHE 35 Cb 0.16 -0.07 -0.07 0.00 0.35 0.00 0.00 39.48 39.85 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 0.00 -1.28 -1.94 -2.13 3.38 0.16 0.35 115.31 113.85 1do9 h LEU 36 Ca 0.00 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1do9 h LEU 36 Cb 0.53 0.50 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1do9 h LEU 36 CO 0.00 -0.47 0.01 -0.62 0.09 0.00 0.00 178.44 177.45 1do9 n GLU 37 N -5.45 2.34 0.00 1.13 1.02 -1.26 -3.16 120.64 115.26 1do9 n GLU 37 Ca -0.06 -1.11 0.00 0.00 -0.02 0.00 0.00 57.16 55.97 1do9 n GLU 37 Cb 0.37 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1do9 n GLU 37 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1do9 n GLU 38 N 0.21 0.50 -3.12 3.49 2.13 0.12 -5.05 120.64 118.92 1do9 n GLU 38 Ca 0.10 -0.65 -0.39 0.00 0.66 0.00 0.00 57.16 56.88 1do9 n GLU 38 Cb 0.60 -0.78 -0.05 0.00 0.27 0.00 0.00 31.44 31.48 1do9 n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1do9 s HIS 39 N -0.26 3.51 -1.00 4.31 2.46 0.10 -4.97 115.29 119.44 1do9 s HIS 39 Ca 0.00 1.09 -0.23 0.00 0.47 0.00 0.00 55.06 56.39 1do9 s HIS 39 Cb 0.00 -2.75 -0.02 0.00 -0.13 0.00 0.00 32.58 29.69 1do9 s HIS 39 CO 0.00 0.04 1.79 -1.25 -2.47 0.00 0.00 174.74 172.85 1do9 s PRO 40 N 1.04 2.95 0.00 2.88 0.04 -1.26 -3.89 135.00 136.76 1do9 s PRO 40 Ca 0.33 -0.77 0.00 0.00 0.04 0.00 0.00 61.00 60.60 1do9 s PRO 40 Cb -0.17 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1do9 s PRO 40 CO 0.14 -3.05 0.00 0.41 0.04 0.00 0.00 177.00 174.55 1do9 n GLY 41 N 6.62 -0.02 3.42 0.56 0.00 -1.26 -5.12 105.19 109.39 1do9 n GLY 41 Ca 0.39 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 46.44 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 0.12 -0.07 -0.02 0.00 -1.25 -5.06 107.32 101.04 1do9 s GLY 42 Ca 0.00 -0.48 0.07 0.00 0.00 0.00 0.00 44.72 44.32 1do9 s GLY 42 CO 0.00 -0.51 0.05 -1.84 0.00 0.00 0.00 173.10 170.80 1do9 n GLU 43 N -0.27 2.35 -0.04 2.90 -0.00 -1.26 -4.60 120.64 119.72 1do9 n GLU 43 Ca -0.10 -0.01 -0.13 0.00 -0.00 0.00 0.00 57.16 56.92 1do9 n GLU 43 Cb 0.63 -1.21 -0.01 0.00 -0.00 0.00 0.00 31.44 30.85 1do9 n GLU 43 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1do9 h GLU 44 N 0.00 0.75 -0.76 3.44 4.81 -1.97 -1.42 114.58 119.43 1do9 h GLU 44 Ca -0.19 -0.50 0.20 0.00 -0.13 0.00 0.00 59.36 58.74 1do9 h GLU 44 Cb 1.35 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.76 1do9 h GLU 44 CO 0.01 1.12 0.53 -0.39 -0.73 0.00 0.00 179.01 179.55 1do9 h VAL 45 N 0.57 0.66 0.00 0.32 -1.51 -1.99 0.42 116.25 114.73 1do9 h VAL 45 Ca 0.00 -0.04 -0.07 0.00 -1.23 0.00 0.00 66.70 65.36 1do9 h VAL 45 Cb 1.18 0.53 -0.01 0.00 -2.13 0.00 0.00 31.29 30.85 1do9 h VAL 45 CO 0.12 0.02 -0.32 -0.07 -1.23 0.00 0.00 177.57 176.09 1do9 h LEU 46 N 0.12 0.00 0.02 4.19 3.38 -1.51 -2.77 115.31 118.74 1do9 h LEU 46 Ca 0.37 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.08 1do9 h LEU 46 Cb 1.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 1do9 h LEU 46 CO -0.05 0.32 -1.34 -0.09 0.09 0.00 0.00 178.44 177.37 1do9 h ARG 47 N 0.00 0.04 0.00 1.13 2.43 -0.21 -1.99 114.38 115.78 1do9 h ARG 47 Ca -0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1do9 h ARG 47 Cb 1.04 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1do9 h ARG 47 CO 0.04 0.83 0.00 0.93 -1.51 0.00 0.00 179.97 180.26 1do9 h GLU 48 N 0.01 0.00 0.00 0.20 5.08 -0.10 -1.85 114.58 117.93 1do9 h GLU 48 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1do9 h GLU 48 Cb 1.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1do9 h GLU 48 CO 0.12 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.17 1do9 n GLN 49 N -2.61 -0.38 -1.36 2.33 1.13 -1.13 -5.02 117.38 110.34 1do9 n GLN 49 Ca 0.01 -0.63 -0.36 0.00 -1.94 0.00 0.00 57.00 54.08 1do9 n GLN 49 Cb 0.22 -0.98 0.07 0.00 0.11 0.00 0.00 30.24 29.66 1do9 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1do9 n ALA 50 N -0.07 -0.88 -2.87 -1.58 0.00 -0.70 -1.44 120.51 112.97 1do9 n ALA 50 Ca 0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.18 1do9 n ALA 50 Cb 0.05 -1.96 -0.01 0.00 0.00 0.00 0.00 19.45 17.52 1do9 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1do9 n GLY 51 N 1.45 -0.48 2.24 0.00 0.00 0.32 -4.82 105.19 103.90 1do9 n GLY 51 Ca 0.12 0.02 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 1do9 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1do9 n GLY 52 N -0.66 1.80 3.54 -0.02 0.00 -0.52 -4.30 105.19 105.02 1do9 n GLY 52 Ca 0.00 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 1do9 n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1do9 s ASP 53 N -2.31 6.40 0.00 1.61 -4.77 -1.25 -0.45 116.67 115.89 1do9 s ASP 53 Ca 0.13 -0.18 0.23 0.00 -3.30 0.00 0.00 52.55 49.43 1do9 s ASP 53 Cb -0.02 -2.42 0.08 0.00 -1.09 0.00 0.00 42.92 39.47 1do9 s ASP 53 CO 0.10 -1.07 1.14 0.00 0.70 0.00 0.00 175.17 176.03 1do9 n ALA 54 N 7.11 3.62 -0.18 2.11 0.00 -0.94 -4.51 120.51 127.72 1do9 n ALA 54 Ca 0.03 -0.60 -0.01 0.00 0.00 0.00 0.00 53.44 52.85 1do9 n ALA 54 Cb 0.48 -0.84 0.09 0.00 0.00 0.00 0.00 19.45 19.17 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 2.01 0.72 -0.85 0.00 2.02 -1.89 0.10 112.91 115.02 1do9 h THR 55 Ca 0.00 -0.10 0.21 0.00 0.77 0.00 0.00 66.41 67.29 1do9 h THR 55 Cb 0.70 0.41 -0.12 0.00 -1.74 0.00 0.00 68.15 67.39 1do9 h THR 55 CO 0.00 0.05 0.30 -0.33 0.37 0.00 0.00 175.52 175.92 1do9 h GLU 56 N 0.29 0.32 0.52 6.66 4.39 -1.94 -0.34 114.58 124.47 1do9 h GLU 56 Ca 0.28 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.93 1do9 h GLU 56 Cb 0.37 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1do9 h GLU 56 CO -0.33 0.21 -0.25 -0.91 -1.16 0.00 0.00 179.01 176.57 1do9 h ASN 57 N 0.33 -0.59 -1.00 1.42 2.35 -1.20 -1.46 115.58 115.44 1do9 h ASN 57 Ca 0.52 -0.06 0.30 0.00 -0.55 0.00 0.00 56.30 56.51 1do9 h ASN 57 Cb 0.97 0.15 -0.18 0.00 0.05 0.00 0.00 38.32 39.31 1do9 h ASN 57 CO -0.55 -0.21 0.11 0.15 -1.65 0.00 0.00 177.43 175.28 1do9 h PHE 58 N -1.04 0.09 0.02 1.19 3.57 0.51 0.15 116.94 121.43 1do9 h PHE 58 Ca -0.07 0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1do9 h PHE 58 Cb 0.61 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.48 1do9 h PHE 58 CO 0.01 -0.45 -0.01 0.93 -2.23 0.00 0.00 178.31 176.56 1do9 h GLU 59 N 0.01 -0.03 -0.63 1.11 4.39 -1.13 -3.05 114.58 115.24 1do9 h GLU 59 Ca 0.64 0.00 0.13 0.00 0.34 0.00 0.00 59.36 60.47 1do9 h GLU 59 Cb 1.40 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 29.94 1do9 h GLU 59 CO -0.91 0.47 -0.12 -0.44 -1.16 0.00 0.00 179.01 176.85 1do9 h ASP 60 N -0.55 -0.51 -0.39 1.42 3.32 0.20 0.09 116.42 120.00 1do9 h ASP 60 Ca -0.00 0.18 0.08 0.00 0.02 0.00 0.00 57.03 57.31 1do9 h ASP 60 Cb 0.51 0.36 -0.08 0.00 0.22 0.00 0.00 39.33 40.35 1do9 h ASP 60 CO 0.01 -0.19 -0.14 0.58 -1.72 0.00 0.00 179.24 177.77 1do9 h VAL 61 N 0.02 0.52 0.00 -1.35 2.07 -0.85 -3.46 116.25 113.20 1do9 h VAL 61 Ca 0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.83 1do9 h VAL 61 Cb 0.48 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1do9 h VAL 61 CO -0.62 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.58 1do9 n GLY 62 N -1.34 1.95 3.55 2.17 0.00 0.02 -5.04 105.19 106.50 1do9 n GLY 62 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.94 0.60 -1.66 1.61 8.25 -1.19 -5.00 115.22 116.88 1do9 n HIS 63 Ca 0.00 0.59 -0.29 0.00 -0.26 0.00 0.00 57.72 57.76 1do9 n HIS 63 Cb 0.00 -2.14 0.14 0.00 1.12 0.00 0.00 29.99 29.11 1do9 n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1do9 s SER 64 N -0.82 3.43 0.15 0.41 0.01 -1.26 -4.94 113.70 110.67 1do9 s SER 64 Ca 0.63 0.74 -0.08 0.00 1.31 0.00 0.00 55.95 58.56 1do9 s SER 64 Cb -0.59 -1.16 -0.01 0.00 0.21 0.00 0.00 66.02 64.48 1do9 s SER 64 CO 0.57 -2.58 1.43 0.74 0.41 0.00 0.00 173.24 173.81 1do9 h THR 65 N -1.52 1.30 -0.57 1.44 2.02 -1.99 -2.73 112.91 110.86 1do9 h THR 65 Ca -0.48 -1.84 0.13 0.00 0.77 0.00 0.00 66.41 65.00 1do9 h THR 65 Cb 1.31 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 69.47 1do9 h THR 65 CO 0.55 0.58 0.39 0.44 0.37 0.00 0.00 175.52 177.86 1do9 h ASP 66 N 0.52 0.16 0.17 4.18 3.32 -2.00 0.26 116.42 123.04 1do9 h ASP 66 Ca -0.00 0.01 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 1do9 h ASP 66 Cb 1.19 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 40.73 1do9 h ASP 66 CO 0.12 0.09 -1.06 0.00 -1.72 0.00 0.00 179.24 176.67 1do9 h ALA 67 N 1.72 0.18 0.00 3.45 0.00 -1.87 -2.80 119.26 119.94 1do9 h ALA 67 Ca 0.27 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1do9 h ALA 67 Cb 0.83 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1do9 h ALA 67 CO -0.04 0.75 -0.02 0.00 0.00 0.00 0.00 179.25 179.94 1do9 h ARG 68 N 0.30 0.00 0.00 0.00 -0.00 -0.23 -3.03 114.38 111.42 1do9 h ARG 68 Ca -0.12 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.35 1do9 h ARG 68 Cb 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.68 1do9 h ARG 68 CO 0.20 0.02 -0.02 0.93 0.00 0.00 0.00 179.97 181.09 1do9 h GLU 69 N 0.00 0.01 -0.76 0.04 5.08 -1.05 -3.26 114.58 114.64 1do9 h GLU 69 Ca -0.00 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.46 1do9 h GLU 69 Cb 0.25 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1do9 h GLU 69 CO 0.00 0.95 0.50 -0.07 -1.00 0.00 0.00 179.01 179.39 1do9 h LEU 70 N -0.92 0.52 -1.39 1.33 3.38 -1.44 0.26 115.31 117.04 1do9 h LEU 70 Ca -0.00 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.14 1do9 h LEU 70 Cb 0.96 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 1do9 h LEU 70 CO 0.00 0.29 0.56 0.28 0.09 0.00 0.00 178.44 179.66 1do9 h SER 71 N 0.57 0.55 0.00 -0.43 0.02 -1.57 0.50 113.55 113.19 1do9 h SER 71 Ca 0.36 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1do9 h SER 71 Cb 0.63 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1do9 h SER 71 CO -0.13 0.27 0.08 0.50 -1.14 0.00 0.00 176.83 176.41 1do9 h LYS 72 N 0.58 0.00 -0.13 3.45 3.64 -0.53 0.19 116.57 123.77 1do9 h LYS 72 Ca 0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1do9 h LYS 72 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1do9 h LYS 72 CO -0.18 0.00 0.00 -2.37 -2.27 0.00 0.00 179.45 174.63 1do9 n THR 73 N -2.87 0.16 -0.01 1.00 5.66 0.15 -4.27 114.28 114.11 1do9 n THR 73 Ca -0.02 -0.58 0.03 0.00 -3.05 0.00 0.00 64.05 60.43 1do9 n THR 73 Cb 0.14 1.31 -0.06 0.00 -1.55 0.00 0.00 70.33 70.16 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 1.28 0.00 -1.97 1.09 3.72 0.47 -4.94 117.46 117.11 1do9 n PHE 74 Ca 0.14 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.11 1do9 n PHE 74 Cb 0.56 -0.20 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 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 -2.53 3.45 -2.18 4.37 2.07 -0.08 -0.07 121.20 126.23 1do9 s ILE 75 Ca -0.03 0.46 0.22 0.00 -1.41 0.00 0.00 60.65 59.89 1do9 s ILE 75 Cb 0.05 -3.59 0.54 0.00 0.13 0.00 0.00 42.46 39.59 1do9 s ILE 75 CO 0.34 -0.36 1.47 2.30 -1.91 0.00 0.00 174.94 176.78 1do9 n ILE 76 N 7.34 0.74 -3.95 2.00 -6.64 -0.11 -4.94 119.36 113.80 1do9 n ILE 76 Ca 0.23 -0.83 0.00 0.00 -1.77 0.00 0.00 62.75 60.38 1do9 n ILE 76 Cb 0.46 0.63 0.00 0.00 -1.44 0.00 0.00 39.64 39.29 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 1.54 -1.02 2.92 3.28 0.00 -0.95 -4.67 105.19 106.28 1do9 n GLY 77 Ca 0.21 -1.16 -0.11 0.00 0.00 0.00 0.00 46.02 44.96 1do9 n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1do9 s GLU 78 N -1.89 0.11 0.33 1.61 -1.05 0.58 -1.49 118.70 116.90 1do9 s GLU 78 Ca 0.00 -0.12 -0.25 0.00 -0.15 0.00 0.00 54.97 54.45 1do9 s GLU 78 Cb 0.00 0.04 -0.15 0.00 -0.44 0.00 0.00 34.13 33.58 1do9 s GLU 78 CO 0.00 -0.02 0.53 1.28 0.95 0.00 0.00 175.26 178.00 1do9 n LEU 79 N 2.69 -0.62 -4.26 1.83 4.32 -1.24 -3.42 117.00 116.31 1do9 n LEU 79 Ca -0.15 1.01 -0.38 0.00 -0.02 0.00 0.00 56.01 56.47 1do9 n LEU 79 Cb 0.59 -1.05 0.03 0.00 -1.62 0.00 0.00 43.42 41.37 1do9 n LEU 79 CO 0.24 -2.91 -0.59 1.41 -1.22 0.00 0.00 177.39 174.33 1do9 n HIS 80 N -0.44 -2.78 0.19 -1.77 8.25 -0.98 -4.73 115.22 112.95 1do9 n HIS 80 Ca 0.13 0.32 0.05 0.00 -0.26 0.00 0.00 57.72 57.96 1do9 n HIS 80 Cb 0.34 -1.70 0.36 0.00 1.12 0.00 0.00 29.99 30.11 1do9 n HIS 80 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1do9 h PRO 81 N -0.29 0.00 -0.41 -0.41 0.13 -1.93 -2.16 132.00 126.92 1do9 h PRO 81 Ca -0.43 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.57 1do9 h PRO 81 Cb 1.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 1do9 h PRO 81 CO 0.38 0.38 -0.25 0.22 -0.23 0.00 0.00 178.00 178.50 1do9 h ASP 82 N 0.00 0.94 0.72 1.44 1.82 -1.99 -2.24 116.42 117.11 1do9 h ASP 82 Ca -0.00 -0.42 -0.01 0.00 -0.39 0.00 0.00 57.03 56.20 1do9 h ASP 82 Cb 0.81 -0.26 -0.00 0.00 0.68 0.00 0.00 39.33 40.56 1do9 h ASP 82 CO 0.05 1.16 -0.05 -0.78 -1.61 0.00 0.00 179.24 178.00 1do9 h ASP 83 N 0.72 0.00 -0.39 2.28 3.58 -1.78 -2.64 116.42 118.18 1do9 h ASP 83 Ca 0.09 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 1do9 h ASP 83 Cb 0.83 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 1do9 h ASP 83 CO 0.07 0.05 0.16 -0.09 -2.88 0.00 0.00 179.24 176.55 1do9 h ARG 84 N 0.00 0.64 -0.23 0.28 2.43 -0.78 -1.91 114.38 114.81 1do9 h ARG 84 Ca -0.00 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 1do9 h ARG 84 Cb 0.43 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1do9 h ARG 84 CO 0.01 0.55 -0.04 0.45 -1.51 0.00 0.00 179.97 179.42 1do9 n SER 85 N -4.35 3.09 0.00 -3.80 2.88 -1.03 -4.75 113.62 105.67 1do9 n SER 85 Ca 0.03 -3.29 0.00 0.00 -1.33 0.00 0.00 58.87 54.28 1do9 n SER 85 Cb 0.16 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.07 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 -0.89 0.00 -1.63 -1.46 3.00 -0.72 -4.86 118.16 111.59 1do9 n LYS 86 Ca 0.24 0.00 -0.47 0.00 -0.00 0.00 0.00 58.31 58.07 1do9 n LYS 86 Cb 0.88 -0.46 -0.04 0.00 0.00 0.00 0.00 35.03 35.41 1do9 n LYS 86 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1do9 n LEU 87 N -2.44 2.44 -2.73 3.14 -0.00 -1.21 -3.46 117.00 112.73 1do9 n LEU 87 Ca 0.00 1.13 -0.06 0.00 -0.00 0.00 0.00 56.01 57.08 1do9 n LEU 87 Cb 0.00 -1.33 0.01 0.00 -0.00 0.00 0.00 43.42 42.10 1do9 n LEU 87 CO 0.00 -0.76 -0.04 -0.24 -0.00 0.00 0.00 177.39 176.35 1do9 n SER 88 N 2.42 -7.56 -3.48 1.45 2.88 -1.26 -5.02 113.62 103.05 1do9 n SER 88 Ca 0.15 0.65 -0.12 0.00 -1.33 0.00 0.00 58.87 58.22 1do9 n SER 88 Cb 0.27 -5.09 -0.03 0.00 -0.75 0.00 0.00 64.21 58.61 1do9 n SER 88 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1do9 s LYS 89 N -2.33 1.22 -1.22 -1.46 0.00 -1.22 -5.06 119.74 109.67 1do9 s LYS 89 Ca 0.19 -0.53 -0.15 0.00 0.00 0.00 0.00 55.97 55.48 1do9 s LYS 89 Cb -0.05 0.56 -0.04 0.00 0.00 0.00 0.00 37.83 38.29 1do9 s LYS 89 CO 0.72 -0.52 2.21 -0.35 0.00 0.00 0.00 175.35 177.41 1do9 n PRO 90 N -0.32 2.46 -2.32 1.78 -0.04 -1.26 -4.93 135.00 130.37 1do9 n PRO 90 Ca -0.17 -2.22 -0.43 0.00 -0.04 0.00 0.00 63.50 60.64 1do9 n PRO 90 Cb 0.65 -3.05 -0.02 0.00 -0.04 0.00 0.00 33.50 31.03 1do9 n PRO 90 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1do9 s MET 91 N 3.66 4.15 -0.23 0.54 1.75 -1.26 -4.99 119.30 122.92 1do9 s MET 91 Ca 0.52 1.71 -0.14 0.00 -1.25 0.00 0.00 55.69 56.53 1do9 s MET 91 Cb 0.14 -3.84 -0.04 0.00 2.84 0.00 0.00 34.83 33.93 1do9 s MET 91 CO -0.02 -0.83 0.34 -2.00 -0.65 0.00 0.00 175.02 171.86 1do9 s GLU 92 N 3.78 4.10 0.46 4.11 2.12 -1.26 -5.07 118.70 126.93 1do9 s GLU 92 Ca 0.60 0.04 0.03 0.00 0.36 0.00 0.00 54.97 56.00 1do9 s GLU 92 Cb -0.24 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 1do9 s GLU 92 CO 0.20 -0.10 0.03 0.95 -0.54 0.00 0.00 175.26 175.79 1do9 s THR 93 N 1.52 1.27 -2.00 -1.70 -4.23 -1.26 -5.31 115.64 103.93 1do9 s THR 93 Ca 0.15 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.68 1do9 s THR 93 Cb -0.15 -2.43 0.05 0.00 1.34 0.00 0.00 72.50 71.31 1do9 s THR 93 CO 0.08 0.00 0.60 -0.11 -0.54 0.00 0.00 174.62 174.65