#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 1.36 -0.15 0.11 -2.85 -1.26 -5.12 119.74 111.83 1do9 s LYS 2 Ca 0.00 -0.74 -0.17 0.00 -1.00 0.00 0.00 55.97 54.07 1do9 s LYS 2 Cb 0.00 -1.36 -0.04 0.00 -2.06 0.00 0.00 37.83 34.36 1do9 s LYS 2 CO 0.00 0.36 0.42 -0.51 0.10 0.00 0.00 175.35 175.72 1do9 s ASP 3 N -0.73 6.57 0.00 0.03 1.01 -1.26 -5.01 116.67 117.28 1do9 s ASP 3 Ca 0.06 0.67 0.00 0.00 0.71 0.00 0.00 52.55 53.99 1do9 s ASP 3 Cb -0.08 -2.25 0.00 0.00 1.01 0.00 0.00 42.92 41.61 1do9 s ASP 3 CO 0.00 -0.00 0.00 0.52 0.21 0.00 0.00 175.17 175.90 1do9 n VAL 4 N 3.83 0.00 0.03 -1.27 0.31 -1.26 -5.12 118.33 114.85 1do9 n VAL 4 Ca -0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.24 1do9 n VAL 4 Cb 0.51 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.44 1do9 n VAL 4 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1do9 n LYS 5 N 0.00 0.06 -3.35 5.55 4.76 -1.26 -5.08 118.16 118.84 1do9 n LYS 5 Ca 0.00 0.03 -0.36 0.00 -2.87 0.00 0.00 58.31 55.11 1do9 n LYS 5 Cb 0.00 -0.59 0.03 0.00 -1.84 0.00 0.00 35.03 32.64 1do9 n LYS 5 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1do9 n TYR 6 N -3.56 -2.43 -3.77 2.13 4.02 -1.24 -4.91 117.16 107.41 1do9 n TYR 6 Ca -0.02 1.02 -0.29 0.00 -0.01 0.00 0.00 57.90 58.60 1do9 n TYR 6 Cb 0.06 -1.67 -0.04 0.00 -0.02 0.00 0.00 39.34 37.68 1do9 n TYR 6 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1do9 s TYR 7 N -1.45 3.49 0.07 -0.72 2.02 -0.74 -4.75 117.35 115.26 1do9 s TYR 7 Ca 0.33 0.34 -0.26 0.00 -0.37 0.00 0.00 57.07 57.11 1do9 s TYR 7 Cb -0.03 -1.84 -0.06 0.00 -0.40 0.00 0.00 41.96 39.63 1do9 s TYR 7 CO 0.81 0.45 0.80 0.95 -1.57 0.00 0.00 175.55 177.00 1do9 s THR 8 N -1.73 4.65 0.30 -0.71 -4.23 -1.26 -0.38 115.64 112.28 1do9 s THR 8 Ca 0.38 1.72 0.04 0.00 -1.18 0.00 0.00 61.69 62.65 1do9 s THR 8 Cb -0.12 -4.15 0.33 0.00 1.34 0.00 0.00 72.50 69.90 1do9 s THR 8 CO 0.28 0.37 1.63 -0.07 -0.54 0.00 0.00 174.62 176.29 1do9 h LEU 9 N 5.51 0.01 -0.47 4.79 4.07 -1.96 0.29 115.31 127.54 1do9 h LEU 9 Ca -0.44 0.21 0.10 0.00 0.08 0.00 0.00 57.88 57.83 1do9 h LEU 9 Cb 1.21 0.28 -0.10 0.00 1.08 0.00 0.00 40.66 43.13 1do9 h LEU 9 CO 0.71 -0.20 -0.20 -0.33 -1.08 0.00 0.00 178.44 177.34 1do9 h GLU 10 N 0.18 -0.09 -0.77 1.13 5.08 -1.97 0.13 114.58 118.27 1do9 h GLU 10 Ca 0.59 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 59.01 1do9 h GLU 10 Cb 1.25 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 1do9 h GLU 10 CO -0.69 -0.06 0.47 1.49 -1.00 0.00 0.00 179.01 179.22 1do9 h GLU 11 N -0.09 0.85 -0.43 2.33 4.57 -0.82 -1.41 114.58 119.56 1do9 h GLU 11 Ca 0.22 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.32 1do9 h GLU 11 Cb 0.44 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1do9 h GLU 11 CO -0.54 0.56 0.11 0.82 -1.18 0.00 0.00 179.01 178.79 1do9 h ILE 12 N 0.87 1.19 0.00 2.32 5.03 -0.56 0.44 117.51 126.81 1do9 h ILE 12 Ca 0.33 -0.66 0.00 0.00 -0.12 0.00 0.00 64.86 64.41 1do9 h ILE 12 Cb 0.13 0.74 0.00 0.00 -3.03 0.00 0.00 36.82 34.66 1do9 h ILE 12 CO -0.16 0.24 0.00 0.29 -0.68 0.00 0.00 178.15 177.85 1do9 n LYS 13 N -4.32 0.63 -0.05 2.37 5.02 -0.12 -1.70 118.16 119.99 1do9 n LYS 13 Ca 0.03 0.02 0.08 0.00 -2.02 0.00 0.00 58.31 56.41 1do9 n LYS 13 Cb 0.19 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.80 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 -1.06 1.53 -0.98 1.97 4.01 0.12 -4.41 118.16 119.33 1do9 n LYS 14 Ca 0.16 -1.61 -0.10 0.00 -0.51 0.00 0.00 58.31 56.25 1do9 n LYS 14 Cb 0.10 -1.32 0.18 0.00 -0.51 0.00 0.00 35.03 33.48 1do9 n LYS 14 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1do9 n HIS 15 N 0.89 1.55 -1.95 2.13 8.25 -0.69 -4.75 115.22 120.64 1do9 n HIS 15 Ca 0.11 -1.77 -0.39 0.00 -0.26 0.00 0.00 57.72 55.41 1do9 n HIS 15 Cb 0.41 -0.59 0.03 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.09 7.48 -4.22 0.41 6.94 -1.25 -1.31 115.26 122.21 1do9 n ASN 16 Ca 0.39 -3.80 -0.13 0.00 -0.02 0.00 0.00 54.58 51.02 1do9 n ASN 16 Cb 1.09 -1.09 -0.10 0.00 -2.36 0.00 0.00 39.78 37.32 1do9 n ASN 16 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1do9 s HIS 17 N -3.98 1.15 -0.93 -2.53 3.76 -1.26 -4.95 115.29 106.56 1do9 s HIS 17 Ca 0.51 -1.16 -0.08 0.00 -0.15 0.00 0.00 55.06 54.19 1do9 s HIS 17 Cb 0.42 -0.64 -0.14 0.00 1.11 0.00 0.00 32.58 33.33 1do9 s HIS 17 CO -0.39 -0.38 2.94 0.45 -0.85 0.00 0.00 174.74 176.51 1do9 n SER 18 N -0.24 6.68 0.00 1.40 2.88 -1.26 -1.40 113.62 121.68 1do9 n SER 18 Ca -0.04 -2.46 0.00 0.00 -1.33 0.00 0.00 58.87 55.04 1do9 n SER 18 Cb 0.64 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 1do9 n SER 18 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1do9 n LYS 19 N 3.31 0.00 -1.13 -1.46 2.85 -1.26 -4.96 118.16 115.51 1do9 n LYS 19 Ca 0.59 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.86 1do9 n LYS 19 Cb 0.43 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.81 1do9 n LYS 19 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1do9 n SER 20 N -0.08 0.48 -4.50 -5.58 7.64 -0.99 -4.92 113.62 105.67 1do9 n SER 20 Ca 0.00 -1.95 -0.30 0.00 1.01 0.00 0.00 58.87 57.63 1do9 n SER 20 Cb 0.00 -0.20 -0.19 0.00 -1.01 0.00 0.00 64.21 62.81 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 0.29 -0.00 -3.29 0.44 -1.04 -0.49 -4.49 114.28 105.69 1do9 n THR 21 Ca 0.01 -0.29 -0.21 0.00 -2.04 0.00 0.00 64.05 61.52 1do9 n THR 21 Cb 0.95 -0.22 0.02 0.00 -1.82 0.00 0.00 70.33 69.26 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 3.93 1.92 0.02 -1.42 0.52 -0.43 -1.31 118.94 122.18 1do9 s TRP 22 Ca 1.34 -0.65 -0.29 0.00 0.02 0.00 0.00 56.10 56.52 1do9 s TRP 22 Cb -1.02 -2.17 0.10 0.00 -1.15 0.00 0.00 33.47 29.22 1do9 s TRP 22 CO 0.53 -0.71 1.04 -0.48 0.02 0.00 0.00 176.95 177.35 1do9 s LEU 23 N -4.44 -0.20 -0.28 2.99 0.05 -0.95 -1.01 118.68 114.84 1do9 s LEU 23 Ca 0.53 -0.17 -0.06 0.00 0.05 0.00 0.00 54.13 54.47 1do9 s LEU 23 Cb -0.05 1.86 0.00 0.00 -2.05 0.00 0.00 46.19 45.95 1do9 s LEU 23 CO 0.32 -0.60 0.06 -0.63 -0.55 0.00 0.00 176.35 174.95 1do9 s ILE 24 N -2.95 3.90 -0.27 1.48 1.01 -0.40 -1.90 121.20 122.08 1do9 s ILE 24 Ca 0.10 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.16 1do9 s ILE 24 Cb 0.00 -2.95 0.07 0.00 0.01 0.00 0.00 42.46 39.59 1do9 s ILE 24 CO -0.03 0.16 -0.03 -0.76 0.00 0.00 0.00 174.94 174.28 1do9 s LEU 25 N 1.51 3.13 -0.41 2.97 1.43 -0.76 -1.52 118.68 125.02 1do9 s LEU 25 Ca 0.03 -1.46 -0.20 0.00 -1.03 0.00 0.00 54.13 51.47 1do9 s LEU 25 Cb -0.16 -1.30 0.03 0.00 0.03 0.00 0.00 46.19 44.78 1do9 s LEU 25 CO 0.02 -0.28 0.55 1.41 0.23 0.00 0.00 176.35 178.28 1do9 n HIS 26 N 4.56 -3.22 -3.23 0.29 8.25 -1.26 -3.41 115.22 117.20 1do9 n HIS 26 Ca -0.08 1.32 -0.23 0.00 -0.26 0.00 0.00 57.72 58.48 1do9 n HIS 26 Cb 0.43 -3.38 -0.05 0.00 1.12 0.00 0.00 29.99 28.11 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 -0.14 -0.65 -3.91 4.41 1.44 -1.26 -4.89 115.22 110.22 1do9 n HIS 27 Ca 0.05 0.37 -0.11 0.00 -2.01 0.00 0.00 57.72 56.03 1do9 n HIS 27 Cb 0.49 -1.11 -0.12 0.00 0.12 0.00 0.00 29.99 29.37 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 -4.60 0.26 -0.32 -1.40 -0.14 -1.22 -3.41 119.74 108.91 1do9 s LYS 28 Ca 0.39 -0.33 -0.10 0.00 -1.36 0.00 0.00 55.97 54.56 1do9 s LYS 28 Cb -0.22 0.10 -0.00 0.00 -1.68 0.00 0.00 37.83 36.03 1do9 s LYS 28 CO 0.56 -0.05 0.16 0.08 -0.76 0.00 0.00 175.35 175.35 1do9 s VAL 29 N -0.94 4.61 0.29 3.17 1.01 -1.05 -1.82 120.40 125.66 1do9 s VAL 29 Ca -0.10 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1do9 s VAL 29 Cb -0.06 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1do9 s VAL 29 CO -0.00 0.02 0.16 -0.31 0.00 0.00 0.00 175.10 174.97 1do9 s TYR 30 N 1.61 2.91 -0.10 5.22 1.51 -0.80 -1.50 117.35 126.19 1do9 s TYR 30 Ca 0.04 -0.22 -0.03 0.00 -1.01 0.00 0.00 57.07 55.85 1do9 s TYR 30 Cb -0.17 -1.47 0.04 0.00 -0.11 0.00 0.00 41.96 40.25 1do9 s TYR 30 CO 0.06 0.45 0.07 0.34 -1.11 0.00 0.00 175.55 175.36 1do9 s ASP 31 N -3.83 1.75 -0.16 2.29 -1.08 0.05 -2.24 116.67 113.45 1do9 s ASP 31 Ca 0.35 -0.26 0.14 0.00 -0.52 0.00 0.00 52.55 52.26 1do9 s ASP 31 Cb -0.06 -0.21 0.37 0.00 -1.46 0.00 0.00 42.92 41.55 1do9 s ASP 31 CO 0.24 -0.29 1.19 0.18 0.52 0.00 0.00 175.17 177.00 1do9 n LEU 32 N 5.28 2.38 -0.07 -1.34 4.77 -0.43 -4.67 117.00 122.92 1do9 n LEU 32 Ca -0.05 -3.42 -0.08 0.00 -0.03 0.00 0.00 56.01 52.43 1do9 n LEU 32 Cb 0.49 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1do9 n LEU 32 CO 0.08 1.10 0.67 0.74 -1.33 0.00 0.00 177.39 178.65 1do9 h THR 33 N 1.37 0.33 0.00 -5.08 2.02 -1.88 0.25 112.91 109.92 1do9 h THR 33 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1do9 h THR 33 Cb 1.08 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1do9 h THR 33 CO 0.01 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.07 1do9 n LYS 34 N -5.39 0.58 0.00 6.66 0.00 -1.26 -2.40 118.16 116.34 1do9 n LYS 34 Ca -0.00 0.02 0.07 0.00 0.00 0.00 0.00 58.31 58.40 1do9 n LYS 34 Cb 0.31 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 33.79 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 -1.17 0.00 0.10 5.64 7.35 -0.17 -4.42 117.46 124.78 1do9 n PHE 35 Ca 0.16 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.73 1do9 n PHE 35 Cb 0.17 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 39.93 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 0.68 -1.07 -0.61 -2.13 3.38 -0.22 0.66 115.31 116.00 1do9 h LEU 36 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1do9 h LEU 36 Cb 0.42 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1do9 h LEU 36 CO 0.00 -0.40 0.00 -0.62 0.09 0.00 0.00 178.44 177.51 1do9 n GLU 37 N -4.52 1.15 0.00 1.13 1.02 -1.26 -3.09 120.64 115.06 1do9 n GLU 37 Ca -0.06 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 1do9 n GLU 37 Cb 0.29 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 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 -0.19 2.80 -2.62 3.49 2.13 -0.49 -5.03 120.64 120.73 1do9 n GLU 38 Ca 0.01 -0.16 -0.43 0.00 0.66 0.00 0.00 57.16 57.25 1do9 n GLU 38 Cb 0.16 -0.59 -0.02 0.00 0.27 0.00 0.00 31.44 31.26 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 -0.45 3.31 -0.95 4.31 2.46 0.22 -4.93 115.29 119.26 1do9 s HIS 39 Ca 0.00 1.42 -0.24 0.00 0.47 0.00 0.00 55.06 56.71 1do9 s HIS 39 Cb 0.00 -3.29 -0.04 0.00 -0.13 0.00 0.00 32.58 29.12 1do9 s HIS 39 CO 0.00 -0.65 1.91 -1.25 -2.47 0.00 0.00 174.74 172.28 1do9 s PRO 40 N 2.81 2.64 0.00 2.88 0.04 -1.26 -3.74 135.00 138.37 1do9 s PRO 40 Ca 0.48 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 61.05 1do9 s PRO 40 Cb -0.18 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1do9 s PRO 40 CO 0.12 -3.35 0.00 0.41 0.04 0.00 0.00 177.00 174.22 1do9 n GLY 41 N 6.72 -0.90 3.49 0.56 0.00 -1.26 -5.12 105.19 108.67 1do9 n GLY 41 Ca 0.40 0.32 -0.14 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.44 0.11 -0.02 0.00 -1.25 -5.03 107.32 100.69 1do9 s GLY 42 Ca 0.00 1.57 0.09 0.00 0.00 0.00 0.00 44.72 46.38 1do9 s GLY 42 CO 0.00 1.32 1.18 1.05 0.00 0.00 0.00 173.10 176.65 1do9 h GLU 43 N 4.90 0.00 -0.14 2.90 4.11 -1.84 -3.38 114.58 121.13 1do9 h GLU 43 Ca -0.28 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 58.95 1do9 h GLU 43 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1do9 h GLU 43 CO 0.17 0.82 -0.72 1.49 0.07 0.00 0.00 179.01 180.84 1do9 h GLU 44 N 0.00 0.65 -0.06 1.06 4.81 -1.96 -0.31 114.58 118.77 1do9 h GLU 44 Ca -0.06 -0.51 0.02 0.00 -0.13 0.00 0.00 59.36 58.68 1do9 h GLU 44 Cb 1.76 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 31.23 1do9 h GLU 44 CO 0.11 1.13 0.34 -0.39 -0.73 0.00 0.00 179.01 179.47 1do9 h VAL 45 N 0.45 0.06 0.00 0.32 -1.51 -2.00 0.12 116.25 113.70 1do9 h VAL 45 Ca -0.03 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.30 1do9 h VAL 45 Cb 1.32 0.67 -0.02 0.00 -2.13 0.00 0.00 31.29 31.13 1do9 h VAL 45 CO 0.14 0.00 -0.98 -0.07 -1.23 0.00 0.00 177.57 175.43 1do9 h LEU 46 N 0.00 0.00 0.00 4.19 3.38 -1.23 -3.31 115.31 118.34 1do9 h LEU 46 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1do9 h LEU 46 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1do9 h LEU 46 CO -0.00 0.52 -0.77 -0.09 0.09 0.00 0.00 178.44 178.20 1do9 h ARG 47 N 0.00 0.00 -0.14 1.13 2.43 -0.72 -2.03 114.38 115.05 1do9 h ARG 47 Ca -0.08 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.94 1do9 h ARG 47 Cb 1.47 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.01 1do9 h ARG 47 CO 0.05 0.11 -0.55 0.93 -1.51 0.00 0.00 179.97 179.00 1do9 h GLU 48 N 0.00 0.40 -0.02 0.20 4.39 -1.30 -3.12 114.58 115.12 1do9 h GLU 48 Ca -0.03 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1do9 h GLU 48 Cb 1.15 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1do9 h GLU 48 CO 0.02 0.85 -0.06 1.04 -1.16 0.00 0.00 179.01 179.69 1do9 n GLN 49 N -3.94 1.56 -1.67 2.33 3.00 -1.25 -4.96 117.38 112.45 1do9 n GLN 49 Ca -0.03 -1.47 -0.42 0.00 -0.01 0.00 0.00 57.00 55.07 1do9 n GLN 49 Cb 0.59 -1.35 0.01 0.00 0.00 0.00 0.00 30.24 29.49 1do9 n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1do9 n ALA 50 N 0.85 0.88 -1.48 -1.58 0.00 -0.76 -0.94 120.51 117.48 1do9 n ALA 50 Ca 0.10 0.28 -0.16 0.00 0.00 0.00 0.00 53.44 53.67 1do9 n ALA 50 Cb 0.44 -2.20 -0.07 0.00 0.00 0.00 0.00 19.45 17.63 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 0.93 1.47 2.54 0.00 0.00 -0.18 -4.86 105.19 105.09 1do9 n GLY 51 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.31 2.61 3.62 -0.02 0.00 -0.11 -4.26 105.19 106.73 1do9 n GLY 52 Ca -0.16 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 1do9 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1do9 s ASP 53 N -2.70 6.78 0.00 1.61 2.15 -1.26 -1.27 116.67 121.98 1do9 s ASP 53 Ca 0.25 0.82 0.25 0.00 0.43 0.00 0.00 52.55 54.30 1do9 s ASP 53 Cb -0.00 -2.55 0.44 0.00 -0.30 0.00 0.00 42.92 40.51 1do9 s ASP 53 CO 0.18 -1.06 1.37 0.00 -0.17 0.00 0.00 175.17 175.48 1do9 n ALA 54 N 7.38 3.28 -0.22 3.66 0.00 -0.58 -4.65 120.51 129.38 1do9 n ALA 54 Ca 0.12 -0.51 -0.03 0.00 0.00 0.00 0.00 53.44 53.02 1do9 n ALA 54 Cb 0.48 -0.99 0.08 0.00 0.00 0.00 0.00 19.45 19.02 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 1.75 1.03 -0.87 0.00 2.02 -1.89 0.10 112.91 115.05 1do9 h THR 55 Ca 0.00 -0.25 0.13 0.00 0.77 0.00 0.00 66.41 67.06 1do9 h THR 55 Cb 0.61 0.25 -0.07 0.00 -1.74 0.00 0.00 68.15 67.20 1do9 h THR 55 CO 0.00 0.13 0.56 -0.33 0.37 0.00 0.00 175.52 176.25 1do9 h GLU 56 N 0.71 0.70 0.08 6.66 5.08 -1.95 -0.81 114.58 125.06 1do9 h GLU 56 Ca 0.27 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1do9 h GLU 56 Cb 0.10 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1do9 h GLU 56 CO -0.14 0.46 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.39 1do9 h ASN 57 N 0.72 -0.09 -0.85 1.42 4.21 -1.38 -1.35 115.58 118.26 1do9 h ASN 57 Ca 0.43 -0.51 0.17 0.00 1.21 0.00 0.00 56.30 57.60 1do9 h ASN 57 Cb 0.62 0.02 -0.06 0.00 -1.12 0.00 0.00 38.32 37.79 1do9 h ASN 57 CO -0.19 0.54 0.56 0.15 -1.29 0.00 0.00 177.43 177.20 1do9 h PHE 58 N -0.81 0.58 0.05 1.19 3.57 -0.61 -1.61 116.94 119.30 1do9 h PHE 58 Ca -0.01 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1do9 h PHE 58 Cb 0.60 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1do9 h PHE 58 CO 0.13 0.19 -0.03 0.93 -2.23 0.00 0.00 178.31 177.30 1do9 h GLU 59 N 0.47 -0.07 -0.66 1.11 4.39 -1.18 -3.02 114.58 115.62 1do9 h GLU 59 Ca 0.43 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.12 1do9 h GLU 59 Cb 0.96 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.60 1do9 h GLU 59 CO -0.16 0.53 0.37 0.22 -1.16 0.00 0.00 179.01 178.81 1do9 h ASP 60 N -0.91 0.80 -0.77 1.42 3.58 -0.95 0.14 116.42 119.72 1do9 h ASP 60 Ca -0.01 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.39 1do9 h ASP 60 Cb 0.63 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.44 1do9 h ASP 60 CO 0.01 0.64 0.47 0.58 -2.88 0.00 0.00 179.24 178.07 1do9 h VAL 61 N 0.92 1.21 -2.50 2.25 2.07 -1.44 -3.47 116.25 115.29 1do9 h VAL 61 Ca 0.24 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1do9 h VAL 61 Cb 0.01 0.13 0.03 0.00 -1.52 0.00 0.00 31.29 29.93 1do9 h VAL 61 CO -0.04 0.22 -0.12 0.61 0.02 0.00 0.00 177.57 178.26 1do9 n GLY 62 N -1.21 0.35 3.38 2.17 0.00 0.47 -4.97 105.19 105.37 1do9 n GLY 62 Ca 0.07 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.63 -1.78 -1.94 1.61 8.25 -1.23 -5.02 115.22 113.48 1do9 n HIS 63 Ca -0.04 0.22 -0.29 0.00 -0.26 0.00 0.00 57.72 57.34 1do9 n HIS 63 Cb 0.53 -1.76 0.07 0.00 1.12 0.00 0.00 29.99 29.94 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 -1.85 4.98 0.29 0.41 1.04 -1.26 -4.94 113.70 112.37 1do9 s SER 64 Ca 0.56 0.91 0.09 0.00 0.48 0.00 0.00 55.95 57.98 1do9 s SER 64 Cb -0.22 -1.57 0.42 0.00 0.10 0.00 0.00 66.02 64.75 1do9 s SER 64 CO 0.68 -1.60 1.66 0.74 0.98 0.00 0.00 173.24 175.70 1do9 h THR 65 N -0.81 1.37 -0.09 2.02 2.02 -1.99 -2.43 112.91 113.00 1do9 h THR 65 Ca -0.45 -1.81 -0.01 0.00 0.77 0.00 0.00 66.41 64.91 1do9 h THR 65 Cb 1.29 1.93 -0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1do9 h THR 65 CO 0.64 0.53 0.03 -0.78 0.37 0.00 0.00 175.52 176.31 1do9 h ASP 66 N 0.08 0.10 -0.02 4.18 1.82 -1.99 -0.40 116.42 120.19 1do9 h ASP 66 Ca -0.00 -0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.59 1do9 h ASP 66 Cb 0.96 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.95 1do9 h ASP 66 CO 0.07 0.10 -0.17 0.00 -1.61 0.00 0.00 179.24 177.63 1do9 h ALA 67 N 1.91 0.04 -0.77 -0.78 0.00 -1.85 -2.62 119.26 115.21 1do9 h ALA 67 Ca 0.03 -0.42 0.13 0.00 0.00 0.00 0.00 54.91 54.65 1do9 h ALA 67 Cb 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1do9 h ALA 67 CO -0.00 0.02 0.50 -0.09 0.00 0.00 0.00 179.25 179.69 1do9 h ARG 68 N -0.49 0.52 0.19 0.00 1.12 -0.89 -1.05 114.38 113.78 1do9 h ARG 68 Ca -0.02 -0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.81 1do9 h ARG 68 Cb 0.89 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.73 1do9 h ARG 68 CO 0.04 0.35 -0.09 0.93 -3.11 0.00 0.00 179.97 178.08 1do9 h GLU 69 N 0.54 -0.24 -0.92 0.20 5.08 -1.03 -2.39 114.58 115.82 1do9 h GLU 69 Ca 0.37 0.02 0.24 0.00 -1.00 0.00 0.00 59.36 58.99 1do9 h GLU 69 Cb 0.68 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.94 1do9 h GLU 69 CO -0.13 0.07 0.63 -0.07 -1.00 0.00 0.00 179.01 178.51 1do9 h LEU 70 N -0.58 0.20 -0.73 1.33 -0.00 -1.07 0.15 115.31 114.61 1do9 h LEU 70 Ca -0.03 0.03 0.15 0.00 -0.00 0.00 0.00 57.88 58.02 1do9 h LEU 70 Cb 0.43 -0.01 -0.10 0.00 -0.00 0.00 0.00 40.66 40.98 1do9 h LEU 70 CO 0.04 0.07 0.24 0.77 -0.00 0.00 0.00 178.44 179.56 1do9 h SER 71 N 0.19 0.16 -0.74 -0.43 4.64 -0.66 -1.00 113.55 115.71 1do9 h SER 71 Ca 0.46 0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.90 1do9 h SER 71 Cb 1.50 0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 63.68 1do9 h SER 71 CO -0.10 0.04 0.45 0.50 -0.87 0.00 0.00 176.83 176.85 1do9 h LYS 72 N 0.36 1.01 -0.00 4.77 1.63 -0.66 0.76 116.57 124.43 1do9 h LYS 72 Ca 0.41 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 1do9 h LYS 72 Cb 0.64 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1do9 h LYS 72 CO -0.44 0.71 -0.00 -2.37 -3.45 0.00 0.00 179.45 173.90 1do9 n THR 73 N -4.51 0.00 0.34 1.00 5.66 -0.54 -3.26 114.28 112.97 1do9 n THR 73 Ca 0.07 -0.06 0.05 0.00 -3.05 0.00 0.00 64.05 61.06 1do9 n THR 73 Cb 0.06 -0.26 -0.07 0.00 -1.55 0.00 0.00 70.33 68.51 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 -0.73 0.00 -2.00 1.09 3.72 -0.41 -4.94 117.46 114.19 1do9 n PHE 74 Ca 0.23 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.20 1do9 n PHE 74 Cb 0.17 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 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 -2.22 3.53 -1.35 4.37 2.07 0.13 -0.77 121.20 126.96 1do9 s ILE 75 Ca 0.02 0.61 0.17 0.00 -1.41 0.00 0.00 60.65 60.04 1do9 s ILE 75 Cb 0.08 -3.52 0.51 0.00 0.13 0.00 0.00 42.46 39.66 1do9 s ILE 75 CO 0.43 -0.19 1.43 2.30 -1.91 0.00 0.00 174.94 177.00 1do9 n ILE 76 N 6.30 1.16 -3.51 2.00 -6.64 -0.56 -4.95 119.36 113.16 1do9 n ILE 76 Ca 0.20 -1.07 0.00 0.00 -1.77 0.00 0.00 62.75 60.11 1do9 n ILE 76 Cb 0.44 0.42 0.00 0.00 -1.44 0.00 0.00 39.64 39.06 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 1.02 -0.49 3.31 3.28 0.00 -1.11 -4.77 105.19 106.42 1do9 n GLY 77 Ca 0.19 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.91 1.24 0.90 1.61 -1.05 -1.26 -2.53 118.70 115.70 1do9 s GLU 78 Ca 0.00 -1.56 -0.11 0.00 -0.15 0.00 0.00 54.97 53.15 1do9 s GLU 78 Cb 0.00 -0.85 0.13 0.00 -0.44 0.00 0.00 34.13 32.98 1do9 s GLU 78 CO 0.00 0.09 1.09 -0.51 0.95 0.00 0.00 175.26 176.88 1do9 s LEU 79 N -3.26 2.36 1.06 1.83 2.01 -1.22 -1.79 118.68 119.66 1do9 s LEU 79 Ca 0.21 1.66 -0.12 0.00 0.01 0.00 0.00 54.13 55.90 1do9 s LEU 79 Cb 0.02 -4.08 0.21 0.00 0.01 0.00 0.00 46.19 42.35 1do9 s LEU 79 CO 0.05 -2.74 0.98 1.57 1.01 0.00 0.00 176.35 177.22 1do9 n HIS 80 N -3.97 -0.43 0.31 0.29 -0.00 0.48 -4.62 115.22 107.30 1do9 n HIS 80 Ca 0.08 0.11 0.16 0.00 0.46 0.00 0.00 57.72 58.52 1do9 n HIS 80 Cb 0.54 -1.82 0.63 0.00 -0.12 0.00 0.00 29.99 29.22 1do9 n HIS 80 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1do9 h PRO 81 N -2.29 0.00 -0.52 1.57 0.13 -1.94 -1.22 132.00 127.73 1do9 h PRO 81 Ca -0.53 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1do9 h PRO 81 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 1do9 h PRO 81 CO 0.44 0.00 0.34 -0.44 -0.23 0.00 0.00 178.00 178.12 1do9 h ASP 82 N 0.00 0.54 0.00 1.44 5.19 -1.96 -1.89 116.42 119.73 1do9 h ASP 82 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1do9 h ASP 82 Cb 0.48 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.86 1do9 h ASP 82 CO 0.00 0.38 0.00 -0.67 -3.12 0.00 0.00 179.24 175.83 1do9 n ASP 83 N -4.47 0.21 0.03 6.45 2.03 -0.46 -3.16 116.55 117.18 1do9 n ASP 83 Ca 0.05 -1.85 -0.20 0.00 0.52 0.00 0.00 54.79 53.31 1do9 n ASP 83 Cb 0.11 -0.10 -0.14 0.00 -0.72 0.00 0.00 41.12 40.26 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 0.02 0.27 0.00 -0.67 2.43 -1.47 -3.45 114.38 111.50 1do9 h ARG 84 Ca 0.00 -0.45 -0.11 0.00 -0.81 0.00 0.00 59.98 58.61 1do9 h ARG 84 Cb 0.10 0.17 -0.10 0.00 -0.42 0.00 0.00 29.97 29.72 1do9 h ARG 84 CO 0.00 1.22 -0.19 0.45 -1.51 0.00 0.00 179.97 179.94 1do9 n SER 85 N -4.10 -0.93 -2.78 -3.80 2.88 -1.24 -5.01 113.62 98.64 1do9 n SER 85 Ca -0.17 -1.72 -0.10 0.00 -1.33 0.00 0.00 58.87 55.55 1do9 n SER 85 Cb 0.83 0.41 0.06 0.00 -0.75 0.00 0.00 64.21 64.75 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 -0.81 1.11 -3.61 -1.46 4.81 -1.19 -5.12 118.16 111.88 1do9 n LYS 86 Ca -0.14 -2.61 -0.21 0.00 -0.87 0.00 0.00 58.31 54.48 1do9 n LYS 86 Cb 0.71 -0.91 -0.03 0.00 0.02 0.00 0.00 35.03 34.82 1do9 n LYS 86 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1do9 s LEU 87 N -2.89 3.41 0.34 3.14 1.43 -1.26 -4.85 118.68 118.00 1do9 s LEU 87 Ca 0.27 -0.72 -0.14 0.00 -1.03 0.00 0.00 54.13 52.51 1do9 s LEU 87 Cb 0.39 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 44.59 1do9 s LEU 87 CO -0.04 -0.61 0.69 -0.55 0.23 0.00 0.00 176.35 176.07 1do9 s SER 88 N -4.10 0.10 -0.11 2.29 0.15 -1.26 -5.12 113.70 105.64 1do9 s SER 88 Ca 0.47 -1.07 -0.30 0.00 0.70 0.00 0.00 55.95 55.75 1do9 s SER 88 Cb -0.03 0.76 -0.03 0.00 -1.71 0.00 0.00 66.02 65.02 1do9 s SER 88 CO 0.27 -1.49 1.30 -0.75 1.20 0.00 0.00 173.24 173.78 1do9 s LYS 89 N -2.96 4.26 0.83 5.44 2.20 -1.26 -5.03 119.74 123.22 1do9 s LYS 89 Ca 0.18 1.75 -0.14 0.00 -0.36 0.00 0.00 55.97 57.40 1do9 s LYS 89 Cb -0.04 -3.72 0.20 0.00 -1.51 0.00 0.00 37.83 32.76 1do9 s LYS 89 CO 0.12 -0.65 0.86 -0.35 -0.36 0.00 0.00 175.35 174.97 1do9 n PRO 90 N 6.22 -2.00 -4.16 4.03 -0.04 -1.26 -5.11 135.00 132.68 1do9 n PRO 90 Ca 0.13 -1.36 -0.12 0.00 -0.04 0.00 0.00 63.50 62.12 1do9 n PRO 90 Cb 0.45 -1.13 -0.10 0.00 -0.04 0.00 0.00 33.50 32.68 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 -4.93 0.80 0.00 0.54 1.75 -1.26 -5.07 119.30 111.14 1do9 s MET 91 Ca 0.53 -1.22 0.00 0.00 -1.25 0.00 0.00 55.69 53.75 1do9 s MET 91 Cb -0.04 -0.30 0.00 0.00 2.84 0.00 0.00 34.83 37.34 1do9 s MET 91 CO 0.39 0.01 0.00 -0.85 -0.65 0.00 0.00 175.02 173.93 1do9 n GLU 92 N 0.28 0.00 0.00 4.11 0.28 -1.26 -5.15 120.64 118.90 1do9 n GLU 92 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 1do9 n GLU 92 Cb 0.59 -0.29 0.00 0.00 1.43 0.00 0.00 31.44 33.18 1do9 n GLU 92 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1do9 n THR 93 N -2.70 0.00 1.40 3.84 5.66 -1.26 -5.40 114.28 115.83 1do9 n THR 93 Ca 0.00 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.14 1do9 n THR 93 Cb 0.25 0.00 0.44 0.00 -1.55 0.00 0.00 70.33 69.47 1do9 n THR 93 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91