#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1do9 n LYS 2 N 0.00 0.00 -3.98 -0.67 4.81 -1.26 -5.09 118.16 111.97 1do9 n LYS 2 Ca 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.23 1do9 n LYS 2 Cb 0.00 -0.01 -0.03 0.00 0.02 0.00 0.00 35.03 35.01 1do9 n LYS 2 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1do9 s ASP 3 N -4.62 5.89 0.00 3.14 1.47 -1.26 -5.12 116.67 116.18 1do9 s ASP 3 Ca 0.00 -0.12 0.00 0.00 1.18 0.00 0.00 52.55 53.61 1do9 s ASP 3 Cb 0.00 -1.56 0.00 0.00 -0.34 0.00 0.00 42.92 41.02 1do9 s ASP 3 CO 0.00 -0.10 0.00 0.52 0.68 0.00 0.00 175.17 176.27 1do9 n VAL 4 N -1.33 0.00 0.00 2.11 0.31 -1.26 -5.12 118.33 113.05 1do9 n VAL 4 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1do9 n VAL 4 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 1do9 n VAL 4 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1do9 n LYS 5 N 0.00 0.00 -2.62 5.55 3.00 -1.26 -4.95 118.16 117.87 1do9 n LYS 5 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 1do9 n LYS 5 Cb 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 35.03 34.51 1do9 n LYS 5 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1do9 n TYR 6 N -1.70 -3.29 -4.27 5.64 4.01 -1.26 -4.87 117.16 111.43 1do9 n TYR 6 Ca 0.00 1.93 -0.24 0.00 -0.16 0.00 0.00 57.90 59.42 1do9 n TYR 6 Cb 0.04 -3.08 -0.08 0.00 -0.31 0.00 0.00 39.34 35.92 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 -0.46 2.73 0.15 -0.72 2.02 0.12 -4.81 117.35 116.38 1do9 s TYR 7 Ca -0.16 -0.20 -0.17 0.00 -0.37 0.00 0.00 57.07 56.17 1do9 s TYR 7 Cb 0.01 -1.26 -0.07 0.00 -0.40 0.00 0.00 41.96 40.24 1do9 s TYR 7 CO 0.43 0.58 0.61 0.95 -1.57 0.00 0.00 175.55 176.54 1do9 s THR 8 N -2.07 4.73 0.24 -0.71 -4.23 -1.26 -1.55 115.64 110.79 1do9 s THR 8 Ca 0.29 1.08 -0.07 0.00 -1.18 0.00 0.00 61.69 61.81 1do9 s THR 8 Cb -0.08 -3.82 0.27 0.00 1.34 0.00 0.00 72.50 70.21 1do9 s THR 8 CO 0.19 0.32 1.64 -0.07 -0.54 0.00 0.00 174.62 176.16 1do9 h LEU 9 N 3.78 -0.32 -0.64 4.79 -0.00 -1.95 0.23 115.31 121.19 1do9 h LEU 9 Ca -0.49 0.19 0.13 0.00 -0.00 0.00 0.00 57.88 57.72 1do9 h LEU 9 Cb 1.20 0.33 -0.12 0.00 -0.00 0.00 0.00 40.66 42.07 1do9 h LEU 9 CO 0.65 -0.17 -0.10 -0.33 -0.00 0.00 0.00 178.44 178.49 1do9 h GLU 10 N 0.11 0.04 0.01 1.13 5.08 -1.94 0.10 114.58 119.12 1do9 h GLU 10 Ca 0.41 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1do9 h GLU 10 Cb 0.72 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1do9 h GLU 10 CO -0.65 0.03 -0.00 1.49 -1.00 0.00 0.00 179.01 178.87 1do9 h GLU 11 N 0.04 -0.01 -0.15 2.33 4.57 -0.96 -1.60 114.58 118.80 1do9 h GLU 11 Ca 0.32 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.54 1do9 h GLU 11 Cb 0.51 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1do9 h GLU 11 CO -0.62 0.01 0.12 0.82 -1.18 0.00 0.00 179.01 178.15 1do9 h ILE 12 N -0.03 0.80 -0.36 2.32 5.03 -0.53 0.91 117.51 125.65 1do9 h ILE 12 Ca -0.00 0.00 -0.10 0.00 -0.12 0.00 0.00 64.86 64.64 1do9 h ILE 12 Cb 0.02 0.92 -0.06 0.00 -3.03 0.00 0.00 36.82 34.67 1do9 h ILE 12 CO 0.00 0.00 0.13 0.29 -0.68 0.00 0.00 178.15 177.89 1do9 n LYS 13 N -4.30 2.42 -0.10 2.37 5.02 0.24 -3.59 118.16 120.21 1do9 n LYS 13 Ca 0.01 -1.53 0.09 0.00 -2.02 0.00 0.00 58.31 54.86 1do9 n LYS 13 Cb 0.24 -1.76 0.13 0.00 -0.02 0.00 0.00 35.03 33.61 1do9 n LYS 13 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1do9 n LYS 14 N 0.07 1.20 0.00 1.97 4.81 0.31 -4.99 118.16 121.53 1do9 n LYS 14 Ca 0.20 -2.43 0.00 0.00 -0.87 0.00 0.00 58.31 55.21 1do9 n LYS 14 Cb 0.86 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 34.50 1do9 n LYS 14 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1do9 n HIS 15 N -1.30 0.00 0.00 5.64 8.25 -1.24 -4.91 115.22 121.66 1do9 n HIS 15 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1do9 n HIS 15 Cb 0.64 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.75 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 0.00 -4.95 0.41 0.23 -1.26 -4.97 115.26 104.72 1do9 n ASN 16 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.82 1do9 n ASN 16 Cb 0.00 -0.11 -0.01 0.00 -2.08 0.00 0.00 39.78 37.58 1do9 n ASN 16 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1do9 s HIS 17 N -2.86 3.46 -0.73 -2.53 3.76 -1.26 -4.88 115.29 110.25 1do9 s HIS 17 Ca 0.00 0.20 -0.24 0.00 -0.15 0.00 0.00 55.06 54.87 1do9 s HIS 17 Cb 0.00 -1.81 -0.19 0.00 1.11 0.00 0.00 32.58 31.69 1do9 s HIS 17 CO 0.00 0.20 1.88 0.43 -0.85 0.00 0.00 174.74 176.40 1do9 n SER 18 N -1.67 2.31 0.00 1.40 7.64 -1.26 -2.89 113.62 119.15 1do9 n SER 18 Ca -0.06 -2.64 0.00 0.00 1.01 0.00 0.00 58.87 57.18 1do9 n SER 18 Cb 0.57 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 1do9 n SER 18 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1do9 n LYS 19 N 7.47 0.00 -2.79 1.43 3.00 -1.26 -5.01 118.16 121.01 1do9 n LYS 19 Ca 0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.69 1do9 n LYS 19 Cb 0.42 0.00 0.08 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 -1.92 -1.67 -4.53 3.14 7.64 -1.14 -4.94 113.62 110.20 1do9 n SER 20 Ca 0.00 -3.34 -0.25 0.00 1.01 0.00 0.00 58.87 56.29 1do9 n SER 20 Cb 0.00 1.31 -0.11 0.00 -1.01 0.00 0.00 64.21 64.40 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 0.15 -0.02 -2.72 0.44 -1.04 -1.21 -4.32 114.28 105.56 1do9 n THR 21 Ca 0.07 -0.49 -0.21 0.00 -2.04 0.00 0.00 64.05 61.38 1do9 n THR 21 Cb 0.73 -1.45 0.06 0.00 -1.82 0.00 0.00 70.33 67.85 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 9.65 2.25 0.15 -1.42 0.52 -1.26 -1.55 118.94 127.28 1do9 s TRP 22 Ca 1.11 -0.24 -0.25 0.00 0.02 0.00 0.00 56.10 56.74 1do9 s TRP 22 Cb -0.50 -2.70 0.07 0.00 -1.15 0.00 0.00 33.47 29.19 1do9 s TRP 22 CO 0.31 -1.12 1.01 -0.48 0.02 0.00 0.00 176.95 176.68 1do9 s LEU 23 N -4.82 -0.12 -0.55 2.99 0.05 -0.32 -0.94 118.68 114.98 1do9 s LEU 23 Ca 0.60 -0.46 0.03 0.00 0.05 0.00 0.00 54.13 54.36 1do9 s LEU 23 Cb -0.08 2.08 0.14 0.00 -2.05 0.00 0.00 46.19 46.28 1do9 s LEU 23 CO 0.40 -0.88 0.30 -0.63 -0.55 0.00 0.00 176.35 174.98 1do9 s ILE 24 N -2.92 2.77 -0.44 1.48 1.01 -0.01 -2.11 121.20 120.97 1do9 s ILE 24 Ca 0.15 -3.33 -0.12 0.00 0.00 0.00 0.00 60.65 57.35 1do9 s ILE 24 Cb -0.01 -2.90 0.08 0.00 0.01 0.00 0.00 42.46 39.64 1do9 s ILE 24 CO 0.03 -0.82 0.32 -0.76 0.00 0.00 0.00 174.94 173.70 1do9 s LEU 25 N -0.33 5.36 -0.42 2.97 1.43 -1.11 -2.49 118.68 124.10 1do9 s LEU 25 Ca 0.17 -1.43 -0.01 0.00 -1.03 0.00 0.00 54.13 51.83 1do9 s LEU 25 Cb -0.24 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 1do9 s LEU 25 CO -0.01 -0.59 0.38 1.41 0.23 0.00 0.00 176.35 177.77 1do9 n HIS 26 N 5.04 -1.41 -3.60 0.29 8.25 -1.26 -3.67 115.22 118.86 1do9 n HIS 26 Ca -0.11 0.53 -0.19 0.00 -0.26 0.00 0.00 57.72 57.69 1do9 n HIS 26 Cb 0.43 -2.96 -0.04 0.00 1.12 0.00 0.00 29.99 28.54 1do9 n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1do9 n HIS 27 N -1.68 -0.70 -3.79 4.41 8.25 -1.26 -4.91 115.22 115.54 1do9 n HIS 27 Ca -0.01 0.25 -0.11 0.00 -0.26 0.00 0.00 57.72 57.59 1do9 n HIS 27 Cb 0.52 -1.51 -0.08 0.00 1.12 0.00 0.00 29.99 30.04 1do9 n HIS 27 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1do9 s LYS 28 N -5.63 0.73 -0.36 -0.41 -0.14 -1.24 -4.12 119.74 108.57 1do9 s LYS 28 Ca 0.07 -0.50 -0.07 0.00 -1.36 0.00 0.00 55.97 54.11 1do9 s LYS 28 Cb -0.04 0.31 0.05 0.00 -1.68 0.00 0.00 37.83 36.48 1do9 s LYS 28 CO 0.54 -0.22 0.15 0.08 -0.76 0.00 0.00 175.35 175.14 1do9 s VAL 29 N -2.33 3.83 0.04 3.17 1.01 -1.02 -2.73 120.40 122.36 1do9 s VAL 29 Ca -0.07 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 60.66 1do9 s VAL 29 Cb -0.02 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1do9 s VAL 29 CO -0.02 -0.30 0.05 -0.31 0.00 0.00 0.00 175.10 174.52 1do9 s TYR 30 N 1.38 3.15 -0.24 5.22 2.02 -0.90 -1.73 117.35 126.26 1do9 s TYR 30 Ca 0.00 0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.80 1do9 s TYR 30 Cb -0.21 -1.65 0.06 0.00 -0.40 0.00 0.00 41.96 39.77 1do9 s TYR 30 CO 0.02 0.51 -0.04 0.34 -1.57 0.00 0.00 175.55 174.81 1do9 s ASP 31 N -2.02 3.90 -0.23 2.29 -1.08 0.09 -1.18 116.67 118.44 1do9 s ASP 31 Ca 0.25 -1.24 0.12 0.00 -0.52 0.00 0.00 52.55 51.15 1do9 s ASP 31 Cb -0.12 -1.18 0.47 0.00 -1.46 0.00 0.00 42.92 40.63 1do9 s ASP 31 CO 0.17 -0.25 1.37 0.18 0.52 0.00 0.00 175.17 177.16 1do9 n LEU 32 N 4.66 3.60 -0.07 -1.34 4.77 -0.59 -4.61 117.00 123.41 1do9 n LEU 32 Ca -0.11 -3.57 -0.07 0.00 -0.03 0.00 0.00 56.01 52.24 1do9 n LEU 32 Cb 0.44 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 40.95 1do9 n LEU 32 CO 0.18 1.10 0.75 0.00 -1.33 0.00 0.00 177.39 178.09 1do9 h THR 33 N 1.02 0.53 -0.00 -5.08 1.03 -1.89 0.32 112.91 108.84 1do9 h THR 33 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.51 1do9 h THR 33 Cb 1.42 0.53 0.00 0.00 -1.07 0.00 0.00 68.15 69.02 1do9 h THR 33 CO 0.24 0.00 -0.12 1.17 -0.01 0.00 0.00 175.52 176.79 1do9 n LYS 34 N -5.33 0.21 0.00 0.00 0.00 -1.26 -2.77 118.16 109.01 1do9 n LYS 34 Ca 0.00 -0.05 0.11 0.00 0.00 0.00 0.00 58.31 58.37 1do9 n LYS 34 Cb 0.24 -1.50 0.08 0.00 0.00 0.00 0.00 35.03 33.86 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 -1.35 0.00 -0.29 5.64 7.35 -0.43 -4.21 117.46 124.17 1do9 n PHE 35 Ca 0.09 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.85 1do9 n PHE 35 Cb 0.31 -0.08 0.22 0.00 0.35 0.00 0.00 39.48 40.28 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 0.74 0.53 -2.12 -2.13 3.38 -0.24 0.64 115.31 116.11 1do9 h LEU 36 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1do9 h LEU 36 Cb 0.56 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1do9 h LEU 36 CO 0.00 0.23 0.00 -0.62 0.09 0.00 0.00 178.44 178.14 1do9 n GLU 37 N -4.87 2.77 0.00 1.13 -0.58 -1.26 -3.88 120.64 113.95 1do9 n GLU 37 Ca 0.17 -1.55 0.00 0.00 -0.42 0.00 0.00 57.16 55.36 1do9 n GLU 37 Cb 0.42 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 1do9 n GLU 37 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1do9 n GLU 38 N 0.37 0.47 -0.71 3.49 1.02 0.14 -5.05 120.64 120.37 1do9 n GLU 38 Ca 0.14 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.96 1do9 n GLU 38 Cb 0.65 -0.98 0.16 0.00 -0.02 0.00 0.00 31.44 31.25 1do9 n GLU 38 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1do9 n HIS 39 N -1.45 -0.39 -1.22 -0.32 -0.00 -0.72 -4.80 115.22 106.31 1do9 n HIS 39 Ca 0.00 0.28 -0.23 0.00 0.46 0.00 0.00 57.72 58.23 1do9 n HIS 39 Cb 0.02 -1.86 -0.11 0.00 -0.12 0.00 0.00 29.99 27.92 1do9 n HIS 39 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1do9 n PRO 40 N -3.11 2.65 0.00 1.57 -0.04 -1.26 -4.18 135.00 130.62 1do9 n PRO 40 Ca 0.08 -1.67 0.00 0.00 -0.04 0.00 0.00 63.50 61.88 1do9 n PRO 40 Cb 0.53 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 1do9 n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1do9 n GLY 41 N 2.44 1.71 3.93 0.55 0.00 -1.26 -5.09 105.19 107.47 1do9 n GLY 41 Ca 0.54 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.26 1.77 0.00 -0.02 0.00 -1.26 -4.87 107.32 100.68 1do9 s GLY 42 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.56 1do9 s GLY 42 CO 0.00 -0.41 0.00 -2.21 0.00 0.00 0.00 173.10 170.48 1do9 n GLU 43 N -3.74 0.00 -0.04 2.90 0.00 -1.26 -4.33 120.64 114.17 1do9 n GLU 43 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.20 1do9 n GLU 43 Cb 0.60 0.00 0.03 0.00 0.00 0.00 0.00 31.44 32.07 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 0.71 -0.50 5.31 4.81 -1.91 -0.44 114.58 122.56 1do9 h GLU 44 Ca 0.00 -0.41 0.15 0.00 -0.13 0.00 0.00 59.36 58.97 1do9 h GLU 44 Cb 0.00 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1do9 h GLU 44 CO 0.00 1.03 0.54 -0.39 -0.73 0.00 0.00 179.01 179.45 1do9 h VAL 45 N 0.57 0.34 0.00 0.32 -1.51 -1.96 0.16 116.25 114.18 1do9 h VAL 45 Ca 0.03 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 65.38 1do9 h VAL 45 Cb 1.03 0.57 -0.02 0.00 -2.13 0.00 0.00 31.29 30.74 1do9 h VAL 45 CO 0.10 0.00 -0.64 -0.07 -1.23 0.00 0.00 177.57 175.73 1do9 h LEU 46 N 0.00 0.00 -0.21 4.19 3.38 -1.47 -2.68 115.31 118.52 1do9 h LEU 46 Ca 0.24 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 1do9 h LEU 46 Cb 1.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 1do9 h LEU 46 CO -0.00 0.54 -0.58 -0.09 0.09 0.00 0.00 178.44 178.40 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 2.43 -0.72 -1.47 114.38 115.75 1do9 h ARG 47 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1do9 h ARG 47 Cb 1.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 1do9 h ARG 47 CO 0.07 0.58 0.00 0.93 -1.51 0.00 0.00 179.97 180.04 1do9 h GLU 48 N 0.00 0.00 0.00 0.20 5.08 -0.76 -2.58 114.58 116.52 1do9 h GLU 48 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1do9 h GLU 48 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1do9 h GLU 48 CO 0.08 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.13 1do9 n GLN 49 N -2.79 2.36 -1.67 2.33 1.13 -1.19 -5.02 117.38 112.54 1do9 n GLN 49 Ca 0.01 -1.29 -0.41 0.00 -1.94 0.00 0.00 57.00 53.36 1do9 n GLN 49 Cb 0.24 -0.91 0.01 0.00 0.11 0.00 0.00 30.24 29.69 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 -0.40 0.85 -1.70 -1.58 0.00 -0.56 -1.11 120.51 116.01 1do9 n ALA 50 Ca 0.00 0.25 -0.10 0.00 0.00 0.00 0.00 53.44 53.59 1do9 n ALA 50 Cb 0.28 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.51 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 0.96 0.43 3.47 0.00 0.00 -0.11 -4.86 105.19 105.09 1do9 n GLY 51 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.90 1.20 -0.70 -0.02 0.00 -0.27 -4.51 107.32 101.11 1do9 s GLY 52 Ca 0.00 -1.35 -0.26 0.00 0.00 0.00 0.00 44.72 43.11 1do9 s GLY 52 CO 0.00 -0.95 1.16 0.51 0.00 0.00 0.00 173.10 173.82 1do9 s ASP 53 N -3.16 6.19 0.00 1.64 1.47 -1.26 -0.83 116.67 120.72 1do9 s ASP 53 Ca 0.29 -0.59 0.27 0.00 1.18 0.00 0.00 52.55 53.70 1do9 s ASP 53 Cb 0.01 -2.51 0.76 0.00 -0.34 0.00 0.00 42.92 40.84 1do9 s ASP 53 CO 0.16 -1.67 1.57 0.00 0.68 0.00 0.00 175.17 175.91 1do9 n ALA 54 N 8.71 2.83 -0.24 2.11 0.00 -1.04 -4.42 120.51 128.46 1do9 n ALA 54 Ca 0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 53.44 52.97 1do9 n ALA 54 Cb 0.48 -1.08 0.10 0.00 0.00 0.00 0.00 19.45 18.95 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 2.20 0.95 -0.98 0.00 2.02 -1.88 -0.03 112.91 115.19 1do9 h THR 55 Ca 0.00 -0.23 0.21 0.00 0.77 0.00 0.00 66.41 67.15 1do9 h THR 55 Cb 0.58 0.21 -0.09 0.00 -1.74 0.00 0.00 68.15 67.11 1do9 h THR 55 CO 0.00 0.12 0.62 1.05 0.37 0.00 0.00 175.52 177.68 1do9 h GLU 56 N 0.68 0.58 -0.00 6.66 4.11 -1.95 0.77 114.58 125.43 1do9 h GLU 56 Ca 0.31 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.69 1do9 h GLU 56 Cb 0.21 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1do9 h GLU 56 CO -0.19 0.38 -0.04 -0.97 0.07 0.00 0.00 179.01 178.26 1do9 h ASN 57 N 0.60 0.04 -0.65 3.06 -0.73 -1.39 -0.61 115.58 115.89 1do9 h ASN 57 Ca 0.55 -0.74 0.16 0.00 1.87 0.00 0.00 56.30 58.14 1do9 h ASN 57 Cb 1.09 -0.01 -0.03 0.00 0.27 0.00 0.00 38.32 39.64 1do9 h ASN 57 CO -0.31 0.77 0.45 0.15 -0.37 0.00 0.00 177.43 178.12 1do9 h PHE 58 N -0.69 0.20 0.00 0.67 3.04 0.16 -0.56 116.94 119.76 1do9 h PHE 58 Ca -0.00 0.01 -0.25 0.00 3.98 0.00 0.00 57.97 61.70 1do9 h PHE 58 Cb 0.78 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 39.18 1do9 h PHE 58 CO 0.18 0.08 -1.43 0.93 -2.02 0.00 0.00 178.31 176.05 1do9 h GLU 59 N 0.17 0.00 -0.11 1.11 4.39 -0.90 -2.86 114.58 116.37 1do9 h GLU 59 Ca 0.31 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.05 1do9 h GLU 59 Cb 0.99 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.61 1do9 h GLU 59 CO -0.05 0.63 -0.09 0.22 -1.16 0.00 0.00 179.01 178.56 1do9 h ASP 60 N 0.00 -0.30 0.69 1.42 3.58 0.47 -0.61 116.42 121.68 1do9 h ASP 60 Ca -0.18 0.06 -0.11 0.00 0.42 0.00 0.00 57.03 57.22 1do9 h ASP 60 Cb 1.89 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 43.07 1do9 h ASP 60 CO 0.09 -0.13 -0.52 1.62 -2.88 0.00 0.00 179.24 177.43 1do9 h VAL 61 N -0.11 1.23 -2.83 2.25 3.04 -1.50 -3.48 116.25 114.85 1do9 h VAL 61 Ca 0.08 -1.86 -0.06 0.00 -1.01 0.00 0.00 66.70 63.84 1do9 h VAL 61 Cb 0.22 2.04 0.03 0.00 -2.01 0.00 0.00 31.29 31.58 1do9 h VAL 61 CO -0.18 0.51 -0.15 0.61 -1.01 0.00 0.00 177.57 177.34 1do9 n GLY 62 N 0.21 0.31 3.44 3.17 0.00 -0.24 -4.95 105.19 107.14 1do9 n GLY 62 Ca -0.01 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.65 -0.98 -1.47 1.61 8.25 -1.09 -4.99 115.22 114.89 1do9 n HIS 63 Ca -0.05 0.42 -0.30 0.00 -0.26 0.00 0.00 57.72 57.53 1do9 n HIS 63 Cb 0.53 -1.91 0.11 0.00 1.12 0.00 0.00 29.99 29.84 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 -1.20 4.04 0.19 0.41 0.01 -1.26 -4.91 113.70 110.97 1do9 s SER 64 Ca 0.67 1.26 -0.06 0.00 1.31 0.00 0.00 55.95 59.13 1do9 s SER 64 Cb -0.43 -1.95 0.09 0.00 0.21 0.00 0.00 66.02 63.94 1do9 s SER 64 CO 0.56 -2.25 1.54 0.74 0.41 0.00 0.00 173.24 174.24 1do9 h THR 65 N -1.28 1.28 -0.72 1.44 2.02 -1.98 -2.10 112.91 111.56 1do9 h THR 65 Ca -0.48 -1.55 0.11 0.00 0.77 0.00 0.00 66.41 65.26 1do9 h THR 65 Cb 1.29 1.44 -0.05 0.00 -1.74 0.00 0.00 68.15 69.09 1do9 h THR 65 CO 0.59 0.50 0.48 0.44 0.37 0.00 0.00 175.52 177.90 1do9 h ASP 66 N 0.62 0.49 0.03 4.18 3.32 -2.00 0.04 116.42 123.11 1do9 h ASP 66 Ca 0.06 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1do9 h ASP 66 Cb 0.93 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.39 1do9 h ASP 66 CO 0.08 0.28 -0.02 0.00 -1.72 0.00 0.00 179.24 177.87 1do9 h ALA 67 N 1.65 -0.04 -0.19 3.45 0.00 -1.84 -2.52 119.26 119.77 1do9 h ALA 67 Ca 0.34 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1do9 h ALA 67 Cb 0.59 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1do9 h ALA 67 CO -0.11 -0.32 0.31 -0.09 0.00 0.00 0.00 179.25 179.03 1do9 h ARG 68 N -0.45 0.00 0.01 0.00 2.43 -0.39 -2.26 114.38 113.73 1do9 h ARG 68 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1do9 h ARG 68 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1do9 h ARG 68 CO 0.01 0.00 -0.00 0.93 -1.51 0.00 0.00 179.97 179.39 1do9 h GLU 69 N 0.00 -0.01 -0.87 0.20 5.08 -0.76 -3.15 114.58 115.07 1do9 h GLU 69 Ca 0.09 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.66 1do9 h GLU 69 Cb 0.71 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 1do9 h GLU 69 CO -0.00 0.86 0.59 -0.07 -1.00 0.00 0.00 179.01 179.39 1do9 h LEU 70 N -0.93 0.29 -0.65 1.33 3.38 -1.20 0.24 115.31 117.77 1do9 h LEU 70 Ca -0.00 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.12 1do9 h LEU 70 Cb 0.87 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.50 1do9 h LEU 70 CO 0.00 0.12 0.19 0.28 0.09 0.00 0.00 178.44 179.12 1do9 h SER 71 N 0.29 0.10 -0.66 -0.43 0.02 -1.37 -1.50 113.55 110.00 1do9 h SER 71 Ca 0.44 0.11 0.08 0.00 -0.84 0.00 0.00 61.79 61.59 1do9 h SER 71 Cb 1.27 0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.90 1do9 h SER 71 CO -0.13 0.05 0.44 0.50 -1.14 0.00 0.00 176.83 176.55 1do9 h LYS 72 N 0.33 0.57 -0.00 3.45 3.11 -0.57 0.18 116.57 123.64 1do9 h LYS 72 Ca 0.35 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.15 1do9 h LYS 72 Cb 0.52 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1do9 h LYS 72 CO -0.40 0.38 -0.08 0.25 -2.81 0.00 0.00 179.45 176.78 1do9 n THR 73 N -4.48 0.00 -0.02 1.00 -2.24 -0.60 -3.17 114.28 104.78 1do9 n THR 73 Ca 0.10 -0.02 0.08 0.00 -2.27 0.00 0.00 64.05 61.95 1do9 n THR 73 Cb 0.30 -0.29 -0.15 0.00 -2.10 0.00 0.00 70.33 68.09 1do9 n THR 73 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1do9 n PHE 74 N -1.24 0.00 -1.71 4.78 3.72 0.46 -4.96 117.46 118.51 1do9 n PHE 74 Ca 0.12 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.09 1do9 n PHE 74 Cb 0.28 -0.49 -0.03 0.00 -0.94 0.00 0.00 39.48 38.30 1do9 n PHE 74 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1do9 n ILE 75 N -2.23 0.08 -0.10 4.37 3.06 -0.22 -0.73 119.36 123.59 1do9 n ILE 75 Ca -0.06 -0.02 0.00 0.00 -2.50 0.00 0.00 62.75 60.17 1do9 n ILE 75 Cb 0.57 -1.92 0.00 0.00 0.54 0.00 0.00 39.64 38.83 1do9 n ILE 75 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 1do9 n ILE 76 N 3.75 0.12 -3.57 9.51 -6.64 -0.70 -4.89 119.36 116.93 1do9 n ILE 76 Ca 0.16 -0.51 0.00 0.00 -1.77 0.00 0.00 62.75 60.63 1do9 n ILE 76 Cb 0.34 1.03 0.00 0.00 -1.44 0.00 0.00 39.64 39.57 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 -0.06 -0.82 3.23 3.28 0.00 -1.19 -4.44 105.19 105.19 1do9 n GLY 77 Ca 0.00 -0.95 -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 1.85 0.00 0.00 0.00 173.32 175.17 1do9 s GLU 78 N -1.14 0.79 -0.03 1.61 -6.30 -1.26 -2.44 118.70 109.92 1do9 s GLU 78 Ca 0.00 -0.58 -0.30 0.00 -2.50 0.00 0.00 54.97 51.59 1do9 s GLU 78 Cb 0.00 0.33 -0.07 0.00 0.00 0.00 0.00 34.13 34.40 1do9 s GLU 78 CO 0.00 -0.25 1.80 -0.51 0.02 0.00 0.00 175.26 176.33 1do9 s LEU 79 N -2.15 4.30 0.22 2.70 1.02 -1.26 -0.70 118.68 122.82 1do9 s LEU 79 Ca -0.04 2.36 -0.29 0.00 0.02 0.00 0.00 54.13 56.18 1do9 s LEU 79 Cb -0.00 -3.53 -0.16 0.00 0.02 0.00 0.00 46.19 42.52 1do9 s LEU 79 CO -0.04 -1.04 0.74 1.41 0.02 0.00 0.00 176.35 177.44 1do9 n HIS 80 N 7.57 0.26 -2.18 0.29 8.25 -0.60 -4.71 115.22 124.11 1do9 n HIS 80 Ca 0.19 0.86 -0.31 0.00 -0.26 0.00 0.00 57.72 58.20 1do9 n HIS 80 Cb 0.42 -2.08 -0.05 0.00 1.12 0.00 0.00 29.99 29.40 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 -1.14 2.82 0.00 -0.41 0.04 -1.26 -2.96 135.00 132.10 1do9 s PRO 81 Ca 0.63 -1.13 0.00 0.00 0.04 0.00 0.00 61.00 60.54 1do9 s PRO 81 Cb -0.86 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 28.42 1do9 s PRO 81 CO 0.57 -3.47 0.00 -3.47 0.04 0.00 0.00 177.00 170.68 1do9 n ASP 82 N 12.96 0.00 -0.46 6.66 2.03 -1.26 -4.45 116.55 132.03 1do9 n ASP 82 Ca 0.44 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.76 1do9 n ASP 82 Cb 0.47 0.23 0.05 0.00 -0.72 0.00 0.00 41.12 41.15 1do9 n ASP 82 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1do9 n ASP 83 N -2.06 1.13 -2.02 1.67 2.03 -1.15 -3.50 116.55 112.64 1do9 n ASP 83 Ca 0.00 -2.07 -0.03 0.00 0.52 0.00 0.00 54.79 53.21 1do9 n ASP 83 Cb 0.00 -0.33 0.04 0.00 -0.72 0.00 0.00 41.12 40.12 1do9 n ASP 83 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1do9 n ARG 84 N -0.05 0.83 -3.79 -0.67 3.00 -1.26 -4.97 116.66 109.75 1do9 n ARG 84 Ca 0.03 -1.42 -0.29 0.00 -0.00 0.00 0.00 57.85 56.17 1do9 n ARG 84 Cb 0.25 0.22 0.02 0.00 0.00 0.00 0.00 32.46 32.94 1do9 n ARG 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1do9 n SER 85 N -0.77 -4.62 -4.19 6.15 7.64 -1.23 -1.71 113.62 114.88 1do9 n SER 85 Ca -0.17 -0.70 -0.31 0.00 1.01 0.00 0.00 58.87 58.70 1do9 n SER 85 Cb 0.83 -3.72 -0.06 0.00 -1.01 0.00 0.00 64.21 60.25 1do9 n SER 85 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1do9 n LYS 86 N -4.46 -2.09 -3.15 1.43 2.85 -1.26 -1.49 118.16 110.00 1do9 n LYS 86 Ca 0.03 0.25 -0.14 0.00 -1.05 0.00 0.00 58.31 57.40 1do9 n LYS 86 Cb 0.53 -4.25 0.07 0.00 -0.65 0.00 0.00 35.03 30.73 1do9 n LYS 86 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1do9 n LEU 87 N -4.44 -4.94 -3.83 -5.58 4.77 -0.69 -4.94 117.00 97.36 1do9 n LEU 87 Ca -0.22 -0.62 -0.08 0.00 -0.03 0.00 0.00 56.01 55.06 1do9 n LEU 87 Cb 0.64 -2.95 0.01 0.00 -2.33 0.00 0.00 43.42 38.79 1do9 n LEU 87 CO 0.83 0.16 0.55 -0.55 -1.33 0.00 0.00 177.39 177.04 1do9 s SER 88 N -3.59 -0.08 -0.48 -1.43 0.15 -0.55 -5.12 113.70 102.59 1do9 s SER 88 Ca 0.31 -0.92 0.07 0.00 0.70 0.00 0.00 55.95 56.11 1do9 s SER 88 Cb -0.04 0.77 0.19 0.00 -1.71 0.00 0.00 66.02 65.23 1do9 s SER 88 CO 0.67 -1.50 0.69 -0.75 1.20 0.00 0.00 173.24 173.56 1do9 s LYS 89 N -2.81 1.00 -0.03 5.44 2.20 -1.26 -4.47 119.74 119.80 1do9 s LYS 89 Ca 0.15 -0.84 -0.19 0.00 -0.36 0.00 0.00 55.97 54.72 1do9 s LYS 89 Cb -0.05 -0.03 -0.12 0.00 -1.51 0.00 0.00 37.83 36.12 1do9 s LYS 89 CO 0.09 -1.29 0.82 -1.00 -0.36 0.00 0.00 175.35 173.61 1do9 h PRO 90 N 5.63 -0.45 0.00 4.03 0.13 -2.00 -3.45 132.00 135.89 1do9 h PRO 90 Ca 0.06 0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 65.09 1do9 h PRO 90 Cb 1.13 0.10 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 1do9 h PRO 90 CO 0.04 -0.17 -0.01 0.00 -0.23 0.00 0.00 178.00 177.63 1do9 n MET 91 N -5.10 0.42 -4.24 0.86 0.00 -1.26 -5.00 117.12 102.80 1do9 n MET 91 Ca -0.08 -1.03 -0.32 0.00 0.00 0.00 0.00 57.70 56.28 1do9 n MET 91 Cb 0.25 -0.22 -0.07 0.00 0.00 0.00 0.00 33.22 33.18 1do9 n MET 91 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 1do9 n GLU 92 N -0.00 -1.84 -0.29 3.17 0.28 -1.26 -4.79 120.64 115.91 1do9 n GLU 92 Ca -0.11 0.22 0.10 0.00 -0.16 0.00 0.00 57.16 57.21 1do9 n GLU 92 Cb 0.72 -4.20 0.25 0.00 1.43 0.00 0.00 31.44 29.64 1do9 n GLU 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1do9 h THR 93 N -1.63 0.32 0.00 3.84 1.03 -1.99 -3.55 112.91 110.93 1do9 h THR 93 Ca -0.63 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 65.70 1do9 h THR 93 Cb 1.39 0.13 0.00 0.00 -1.07 0.00 0.00 68.15 68.60 1do9 h THR 93 CO 0.72 0.03 0.00 -0.11 -0.01 0.00 0.00 175.52 176.15