#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 -0.06 -0.20 0.11 2.20 -1.26 -5.12 119.74 115.41 1do9 s LYS 2 Ca 0.00 0.31 -0.00 0.00 -0.36 0.00 0.00 55.97 55.91 1do9 s LYS 2 Cb 0.00 -0.40 0.01 0.00 -1.51 0.00 0.00 37.83 35.94 1do9 s LYS 2 CO 0.00 -0.26 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.07 1do9 s ASP 3 N 1.72 3.60 0.00 1.43 1.11 -1.26 -5.08 116.67 118.20 1do9 s ASP 3 Ca -0.01 -0.62 0.00 0.00 0.18 0.00 0.00 52.55 52.10 1do9 s ASP 3 Cb -0.12 -1.57 0.00 0.00 1.07 0.00 0.00 42.92 42.30 1do9 s ASP 3 CO -0.03 -0.02 0.00 0.52 1.18 0.00 0.00 175.17 176.82 1do9 n VAL 4 N 4.67 0.00 0.00 -1.27 0.31 -1.26 -5.10 118.33 115.68 1do9 n VAL 4 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1do9 n VAL 4 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 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 -2.36 5.55 3.00 -1.26 -5.00 118.16 118.08 1do9 n LYS 5 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1do9 n LYS 5 Cb 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 35.03 34.16 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 -2.27 -4.47 -4.42 5.64 4.01 -1.26 -4.90 117.16 109.49 1do9 n TYR 6 Ca 0.00 2.66 -0.27 0.00 -0.16 0.00 0.00 57.90 60.13 1do9 n TYR 6 Cb 0.38 -3.64 -0.12 0.00 -0.31 0.00 0.00 39.34 35.65 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 -0.56 2.27 0.16 -0.72 2.02 -0.37 -4.82 117.35 115.33 1do9 s TYR 7 Ca -0.02 -0.37 -0.09 0.00 -0.37 0.00 0.00 57.07 56.22 1do9 s TYR 7 Cb 0.00 -1.14 -0.06 0.00 -0.40 0.00 0.00 41.96 40.36 1do9 s TYR 7 CO 0.06 0.48 0.48 0.95 -1.57 0.00 0.00 175.55 175.94 1do9 s THR 8 N -1.63 5.01 0.28 -0.71 -4.23 -1.26 -2.22 115.64 110.88 1do9 s THR 8 Ca 0.20 0.42 0.01 0.00 -1.18 0.00 0.00 61.69 61.13 1do9 s THR 8 Cb -0.08 -3.64 0.27 0.00 1.34 0.00 0.00 72.50 70.39 1do9 s THR 8 CO 0.09 0.08 1.82 -0.07 -0.54 0.00 0.00 174.62 176.00 1do9 h LEU 9 N 3.01 0.85 -0.61 4.79 -0.00 -1.97 0.21 115.31 121.59 1do9 h LEU 9 Ca -0.47 0.06 0.09 0.00 -0.00 0.00 0.00 57.88 57.56 1do9 h LEU 9 Cb 1.18 -0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 41.66 1do9 h LEU 9 CO 0.69 0.43 0.23 -0.33 -0.00 0.00 0.00 178.44 179.46 1do9 h GLU 10 N 0.92 0.40 -0.48 1.13 5.08 -1.98 0.13 114.58 119.78 1do9 h GLU 10 Ca 0.49 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.84 1do9 h GLU 10 Cb 0.53 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 1do9 h GLU 10 CO -0.28 0.27 0.30 1.49 -1.00 0.00 0.00 179.01 179.78 1do9 h GLU 11 N 0.42 0.59 -0.48 2.33 4.57 -1.00 -2.25 114.58 118.76 1do9 h GLU 11 Ca 0.31 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.42 1do9 h GLU 11 Cb 0.37 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1do9 h GLU 11 CO -0.30 0.39 0.15 0.82 -1.18 0.00 0.00 179.01 178.89 1do9 h ILE 12 N 0.61 1.19 0.00 2.32 5.03 -0.48 0.11 117.51 126.29 1do9 h ILE 12 Ca 0.18 -0.65 0.00 0.00 -0.12 0.00 0.00 64.86 64.27 1do9 h ILE 12 Cb -0.03 0.67 0.00 0.00 -3.03 0.00 0.00 36.82 34.42 1do9 h ILE 12 CO -0.06 0.25 0.00 0.29 -0.68 0.00 0.00 178.15 177.95 1do9 n LYS 13 N -4.32 0.01 -0.62 2.37 4.01 -0.09 -1.79 118.16 117.73 1do9 n LYS 13 Ca 0.03 0.28 0.09 0.00 -0.51 0.00 0.00 58.31 58.21 1do9 n LYS 13 Cb 0.18 -1.50 0.36 0.00 -0.51 0.00 0.00 35.03 33.56 1do9 n LYS 13 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1do9 n LYS 14 N -1.48 3.79 -2.44 1.97 5.02 0.36 -4.34 118.16 121.04 1do9 n LYS 14 Ca 0.03 -2.90 -0.18 0.00 -2.02 0.00 0.00 58.31 53.24 1do9 n LYS 14 Cb 0.14 -1.91 0.02 0.00 -0.02 0.00 0.00 35.03 33.26 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 1.02 2.42 -1.87 2.13 8.25 -0.74 -4.85 115.22 121.58 1do9 n HIS 15 Ca 0.26 -2.63 -0.31 0.00 -0.26 0.00 0.00 57.72 54.77 1do9 n HIS 15 Cb 0.91 -0.24 0.04 0.00 1.12 0.00 0.00 29.99 31.81 1do9 n HIS 15 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1do9 n ASN 16 N -0.48 6.20 -4.21 0.41 3.02 -1.26 -1.48 115.26 117.45 1do9 n ASN 16 Ca 0.29 -3.77 -0.14 0.00 -0.03 0.00 0.00 54.58 50.93 1do9 n ASN 16 Cb 0.80 -0.69 -0.10 0.00 -0.61 0.00 0.00 39.78 39.19 1do9 n ASN 16 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1do9 s HIS 17 N -3.74 1.15 -0.94 3.10 3.76 -1.26 -4.99 115.29 112.38 1do9 s HIS 17 Ca 0.55 -0.72 -0.16 0.00 -0.15 0.00 0.00 55.06 54.58 1do9 s HIS 17 Cb 0.44 -0.61 -0.10 0.00 1.11 0.00 0.00 32.58 33.43 1do9 s HIS 17 CO -0.10 0.03 2.06 0.43 -0.85 0.00 0.00 174.74 176.32 1do9 n SER 18 N 0.16 3.66 0.00 1.40 7.64 -1.26 -1.98 113.62 123.25 1do9 n SER 18 Ca -0.13 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.16 1do9 n SER 18 Cb 0.59 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 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 5.92 0.00 -2.32 1.43 3.00 -1.26 -4.97 118.16 119.95 1do9 n LYS 19 Ca 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.81 1do9 n LYS 19 Cb 0.31 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.39 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 0.00 0.60 -4.53 3.14 7.64 -0.93 -4.92 113.62 114.62 1do9 n SER 20 Ca 0.00 -2.05 -0.30 0.00 1.01 0.00 0.00 58.87 57.53 1do9 n SER 20 Cb 0.00 -0.14 -0.11 0.00 -1.01 0.00 0.00 64.21 62.96 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 -0.47 -0.03 -3.25 0.44 -1.04 -0.83 -4.31 114.28 104.78 1do9 n THR 21 Ca -0.01 -0.47 -0.20 0.00 -2.04 0.00 0.00 64.05 61.32 1do9 n THR 21 Cb 0.89 -1.54 0.02 0.00 -1.82 0.00 0.00 70.33 67.89 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 9.89 1.98 0.05 -1.42 0.52 -0.55 -1.44 118.94 127.97 1do9 s TRP 22 Ca 1.13 -0.63 -0.28 0.00 0.02 0.00 0.00 56.10 56.34 1do9 s TRP 22 Cb -0.57 -2.20 0.09 0.00 -1.15 0.00 0.00 33.47 29.65 1do9 s TRP 22 CO 0.34 -0.71 1.12 -0.48 0.02 0.00 0.00 176.95 177.23 1do9 s LEU 23 N -4.45 -0.13 -0.41 2.99 0.05 -0.42 -0.88 118.68 115.43 1do9 s LEU 23 Ca 0.54 -0.25 -0.02 0.00 0.05 0.00 0.00 54.13 54.45 1do9 s LEU 23 Cb -0.06 1.76 0.11 0.00 -2.05 0.00 0.00 46.19 45.96 1do9 s LEU 23 CO 0.33 -0.58 0.20 -0.63 -0.55 0.00 0.00 176.35 175.12 1do9 s ILE 24 N -2.85 3.18 -0.59 1.48 -1.09 -0.17 -1.70 121.20 119.46 1do9 s ILE 24 Ca 0.13 -2.16 -0.02 0.00 -2.23 0.00 0.00 60.65 56.37 1do9 s ILE 24 Cb 0.02 -3.19 0.15 0.00 -1.58 0.00 0.00 42.46 37.85 1do9 s ILE 24 CO -0.01 -0.69 0.39 -0.76 -1.23 0.00 0.00 174.94 172.64 1do9 s LEU 25 N 1.03 5.07 0.00 2.97 1.43 -1.20 -3.04 118.68 124.95 1do9 s LEU 25 Ca 0.09 -2.84 0.00 0.00 -1.03 0.00 0.00 54.13 50.35 1do9 s LEU 25 Cb -0.22 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1do9 s LEU 25 CO -0.05 -0.35 0.00 1.41 0.23 0.00 0.00 176.35 177.59 1do9 n HIS 26 N 3.47 0.00 -3.39 0.29 8.25 -1.26 -4.39 115.22 118.19 1do9 n HIS 26 Ca 0.07 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.27 1do9 n HIS 26 Cb 0.37 -1.06 -0.05 0.00 1.12 0.00 0.00 29.99 30.38 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 -0.69 -0.92 -4.16 4.41 8.25 -1.26 -4.90 115.22 115.95 1do9 n HIS 27 Ca 0.00 0.41 -0.12 0.00 -0.26 0.00 0.00 57.72 57.75 1do9 n HIS 27 Cb 0.32 -1.22 -0.08 0.00 1.12 0.00 0.00 29.99 30.12 1do9 n HIS 27 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1do9 s LYS 28 N -5.14 1.41 -0.19 -0.41 -2.85 -1.26 -3.48 119.74 107.81 1do9 s LYS 28 Ca 0.50 -1.60 -0.00 0.00 -1.00 0.00 0.00 55.97 53.86 1do9 s LYS 28 Cb -0.29 0.34 0.01 0.00 -2.06 0.00 0.00 37.83 35.82 1do9 s LYS 28 CO 0.61 -0.51 -0.16 0.08 0.10 0.00 0.00 175.35 175.48 1do9 s VAL 29 N -3.95 2.47 -0.16 1.79 1.01 -0.96 -3.22 120.40 117.38 1do9 s VAL 29 Ca 0.35 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1do9 s VAL 29 Cb 0.04 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1do9 s VAL 29 CO 0.14 0.51 -0.10 -0.31 0.00 0.00 0.00 175.10 175.34 1do9 s TYR 30 N 1.26 2.87 -0.32 5.22 2.02 -0.69 -2.49 117.35 125.22 1do9 s TYR 30 Ca 0.03 -0.73 -0.10 0.00 -0.37 0.00 0.00 57.07 55.90 1do9 s TYR 30 Cb -0.14 -1.93 -0.00 0.00 -0.40 0.00 0.00 41.96 39.49 1do9 s TYR 30 CO -0.08 -0.31 0.17 0.34 -1.57 0.00 0.00 175.55 174.10 1do9 s ASP 31 N 0.69 5.63 -0.17 2.29 2.15 -0.01 -1.30 116.67 125.94 1do9 s ASP 31 Ca -0.05 -0.56 0.16 0.00 0.43 0.00 0.00 52.55 52.53 1do9 s ASP 31 Cb -0.15 -2.02 0.38 0.00 -0.30 0.00 0.00 42.92 40.83 1do9 s ASP 31 CO 0.02 -0.22 1.24 0.18 -0.17 0.00 0.00 175.17 176.22 1do9 n LEU 32 N 5.00 2.85 -0.12 -1.34 4.77 -0.52 -4.60 117.00 123.04 1do9 n LEU 32 Ca -0.13 -3.35 -0.05 0.00 -0.03 0.00 0.00 56.01 52.44 1do9 n LEU 32 Cb 0.49 -0.49 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1do9 n LEU 32 CO 0.34 0.93 0.72 0.74 -1.33 0.00 0.00 177.39 178.80 1do9 h THR 33 N 0.62 0.42 -0.01 -5.08 2.02 -1.89 0.32 112.91 109.31 1do9 h THR 33 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1do9 h THR 33 Cb 1.13 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1do9 h THR 33 CO 0.07 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.13 1do9 n LYS 34 N -5.38 1.22 -0.00 6.66 0.00 -1.26 -2.87 118.16 116.53 1do9 n LYS 34 Ca 0.02 -0.32 0.07 0.00 0.00 0.00 0.00 58.31 58.09 1do9 n LYS 34 Cb 0.29 -1.49 -0.10 0.00 0.00 0.00 0.00 35.03 33.72 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 -0.61 0.00 0.06 5.64 7.35 -0.16 -4.61 117.46 125.13 1do9 n PHE 35 Ca 0.22 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.77 1do9 n PHE 35 Cb 0.19 -0.14 -0.07 0.00 0.35 0.00 0.00 39.48 39.81 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 -1.36 -1.45 -2.13 3.38 -0.31 0.20 115.31 113.64 1do9 h LEU 36 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1do9 h LEU 36 Cb 0.50 0.53 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1do9 h LEU 36 CO 0.00 -0.48 0.00 -0.62 0.09 0.00 0.00 178.44 177.43 1do9 n GLU 37 N -5.46 0.90 0.00 1.13 1.02 -1.26 -3.12 120.64 113.85 1do9 n GLU 37 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1do9 n GLU 37 Cb 0.38 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 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 0.28 2.02 -1.67 3.49 0.00 0.04 -5.07 120.64 119.73 1do9 n GLU 38 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 57.16 56.71 1do9 n GLU 38 Cb 0.32 -0.72 -0.04 0.00 0.00 0.00 0.00 31.44 31.00 1do9 n GLU 38 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1do9 n HIS 39 N -1.09 2.43 -2.15 4.31 -0.00 0.48 -4.81 115.22 114.39 1do9 n HIS 39 Ca 0.00 -0.19 -0.30 0.00 0.46 0.00 0.00 57.72 57.68 1do9 n HIS 39 Cb 0.19 -2.74 -0.05 0.00 -0.12 0.00 0.00 29.99 27.27 1do9 n HIS 39 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1do9 s PRO 40 N 4.16 2.75 0.00 1.57 0.04 -1.26 -3.39 135.00 138.87 1do9 s PRO 40 Ca 0.90 -1.05 0.00 0.00 0.04 0.00 0.00 61.00 60.89 1do9 s PRO 40 Cb -0.56 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 28.74 1do9 s PRO 40 CO 0.46 -3.53 0.00 0.41 0.04 0.00 0.00 177.00 174.38 1do9 n GLY 41 N 6.08 -0.55 3.55 0.56 0.00 -1.26 -5.13 105.19 108.43 1do9 n GLY 41 Ca 0.44 0.25 -0.15 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.51 0.13 -0.02 0.00 -1.22 -5.03 107.32 100.67 1do9 s GLY 42 Ca 0.00 1.67 -0.10 0.00 0.00 0.00 0.00 44.72 46.29 1do9 s GLY 42 CO 0.00 1.38 1.41 1.05 0.00 0.00 0.00 173.10 176.94 1do9 h GLU 43 N 4.44 0.83 -0.16 2.90 9.09 -1.82 -3.38 114.58 126.48 1do9 h GLU 43 Ca -0.28 -0.54 -0.16 0.00 0.05 0.00 0.00 59.36 58.42 1do9 h GLU 43 Cb 1.16 0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 28.32 1do9 h GLU 43 CO 0.18 1.17 -0.57 1.49 0.05 0.00 0.00 179.01 181.33 1do9 h GLU 44 N 0.62 0.50 -0.83 1.06 4.57 -1.96 -1.52 114.58 117.03 1do9 h GLU 44 Ca 0.00 -0.33 0.16 0.00 -1.18 0.00 0.00 59.36 58.02 1do9 h GLU 44 Cb 1.18 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.75 1do9 h GLU 44 CO 0.13 0.93 0.55 -0.39 -1.18 0.00 0.00 179.01 179.05 1do9 h VAL 45 N 0.38 0.79 0.00 0.32 -1.51 -2.00 0.26 116.25 114.49 1do9 h VAL 45 Ca 0.00 -0.18 -0.09 0.00 -1.23 0.00 0.00 66.70 65.20 1do9 h VAL 45 Cb 1.11 0.23 -0.01 0.00 -2.13 0.00 0.00 31.29 30.48 1do9 h VAL 45 CO 0.10 0.09 -0.43 -0.07 -1.23 0.00 0.00 177.57 176.04 1do9 h LEU 46 N 0.52 0.00 0.00 4.19 3.38 -1.46 -1.84 115.31 120.09 1do9 h LEU 46 Ca 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.39 1do9 h LEU 46 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1do9 h LEU 46 CO -0.16 0.43 -0.34 -0.09 0.09 0.00 0.00 178.44 178.37 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 2.43 -0.53 -2.66 114.38 114.75 1do9 h ARG 47 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1do9 h ARG 47 Cb 0.90 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1do9 h ARG 47 CO 0.06 0.01 0.00 0.93 -1.51 0.00 0.00 179.97 179.45 1do9 h GLU 48 N 0.00 0.00 0.00 0.20 5.08 0.11 -2.50 114.58 117.46 1do9 h GLU 48 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1do9 h GLU 48 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1do9 h GLU 48 CO 0.00 0.00 -0.08 1.04 -1.00 0.00 0.00 179.01 178.97 1do9 n GLN 49 N -2.95 1.42 -1.53 2.33 1.13 -1.21 -5.04 117.38 111.52 1do9 n GLN 49 Ca -0.01 -1.51 -0.40 0.00 -1.94 0.00 0.00 57.00 53.15 1do9 n GLN 49 Cb 0.20 -0.95 0.02 0.00 0.11 0.00 0.00 30.24 29.62 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 -0.57 -0.61 -1.59 -1.58 0.00 -0.94 -1.58 120.51 113.63 1do9 n ALA 50 Ca 0.04 0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.56 1do9 n ALA 50 Cb 0.48 -1.94 -0.01 0.00 0.00 0.00 0.00 19.45 17.98 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 1.51 0.14 3.34 0.00 0.00 -0.06 -4.83 105.19 105.29 1do9 n GLY 51 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.61 1.91 -1.04 -0.02 0.00 -0.62 -4.60 107.32 101.35 1do9 s GLY 52 Ca 0.00 -1.83 -0.16 0.00 0.00 0.00 0.00 44.72 42.73 1do9 s GLY 52 CO 0.00 -1.30 1.23 0.51 0.00 0.00 0.00 173.10 173.54 1do9 s ASP 53 N -3.29 6.82 0.00 1.64 1.47 -1.26 -1.00 116.67 121.04 1do9 s ASP 53 Ca 0.37 -2.47 0.29 0.00 1.18 0.00 0.00 52.55 51.93 1do9 s ASP 53 Cb 0.02 -2.39 1.53 0.00 -0.34 0.00 0.00 42.92 41.74 1do9 s ASP 53 CO 0.23 -0.90 2.04 0.00 0.68 0.00 0.00 175.17 177.21 1do9 n ALA 54 N 6.01 2.47 -0.16 2.11 0.00 -1.17 -3.80 120.51 125.98 1do9 n ALA 54 Ca 0.28 -0.15 0.15 0.00 0.00 0.00 0.00 53.44 53.73 1do9 n ALA 54 Cb 0.46 -1.48 0.51 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 0.00 0.80 -0.23 0.00 2.02 -1.88 -0.16 112.91 113.46 1do9 h THR 55 Ca 0.00 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.07 1do9 h THR 55 Cb 0.23 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1do9 h THR 55 CO 0.00 0.07 0.04 -0.33 0.37 0.00 0.00 175.52 175.67 1do9 h GLU 56 N 0.40 0.12 0.53 6.66 5.08 -1.95 -0.50 114.58 124.92 1do9 h GLU 56 Ca 0.36 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.69 1do9 h GLU 56 Cb 0.84 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.06 1do9 h GLU 56 CO -0.11 0.08 -0.25 -0.91 -1.00 0.00 0.00 179.01 176.81 1do9 h ASN 57 N 0.13 -0.60 -0.88 1.42 4.21 -1.38 -0.53 115.58 117.95 1do9 h ASN 57 Ca 0.11 -0.06 0.31 0.00 1.21 0.00 0.00 56.30 57.87 1do9 h ASN 57 Cb 0.11 0.15 -0.16 0.00 -1.12 0.00 0.00 38.32 37.30 1do9 h ASN 57 CO -0.14 -0.24 0.27 0.33 -1.29 0.00 0.00 177.43 176.36 1do9 n PHE 58 N -5.29 0.82 0.09 1.19 7.35 -0.38 -1.24 117.46 120.00 1do9 n PHE 58 Ca -0.11 1.05 -0.19 0.00 -0.76 0.00 0.00 57.45 57.44 1do9 n PHE 58 Cb 0.32 -1.33 -0.15 0.00 0.35 0.00 0.00 39.48 38.68 1do9 n PHE 58 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1do9 h GLU 59 N 0.00 0.33 -0.94 -4.13 4.39 -0.96 -0.70 114.58 112.57 1do9 h GLU 59 Ca 0.66 -0.57 0.14 0.00 0.34 0.00 0.00 59.36 59.93 1do9 h GLU 59 Cb 1.60 0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 30.38 1do9 h GLU 59 CO -0.75 1.23 0.60 -0.44 -1.16 0.00 0.00 179.01 178.49 1do9 h ASP 60 N 0.09 0.75 0.32 1.42 5.19 0.34 -1.11 116.42 123.43 1do9 h ASP 60 Ca -0.25 0.05 -0.32 0.00 -0.62 0.00 0.00 57.03 55.88 1do9 h ASP 60 Cb 2.06 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 41.42 1do9 h ASP 60 CO 0.19 0.38 -1.90 0.55 -3.12 0.00 0.00 179.24 175.34 1do9 n VAL 61 N -4.59 1.60 0.00 -1.35 3.14 -0.82 -5.02 118.33 111.29 1do9 n VAL 61 Ca 0.18 -0.77 0.00 0.00 -2.96 0.00 0.00 64.34 60.79 1do9 n VAL 61 Cb 0.44 -1.10 0.00 0.00 -1.06 0.00 0.00 33.84 32.12 1do9 n VAL 61 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1do9 n GLY 62 N 1.70 3.11 1.62 7.55 0.00 -0.27 -4.96 105.19 113.93 1do9 n GLY 62 Ca -0.24 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 -3.99 -1.78 1.61 8.25 -1.22 -4.66 115.22 113.44 1do9 n HIS 63 Ca 0.00 2.13 -0.29 0.00 -0.26 0.00 0.00 57.72 59.29 1do9 n HIS 63 Cb 0.00 -3.20 0.13 0.00 1.12 0.00 0.00 29.99 28.03 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 -3.52 3.82 0.39 0.41 0.01 -1.26 -4.87 113.70 108.68 1do9 s SER 64 Ca 0.00 0.72 0.10 0.00 1.31 0.00 0.00 55.95 58.08 1do9 s SER 64 Cb 0.00 -1.13 0.80 0.00 0.21 0.00 0.00 66.02 65.90 1do9 s SER 64 CO 0.00 -2.33 1.92 0.74 0.41 0.00 0.00 173.24 173.98 1do9 h THR 65 N -1.35 1.18 -1.00 1.44 2.02 -1.98 -1.51 112.91 111.70 1do9 h THR 65 Ca -0.47 -0.80 0.10 0.00 0.77 0.00 0.00 66.41 66.01 1do9 h THR 65 Cb 1.31 1.26 -0.08 0.00 -1.74 0.00 0.00 68.15 68.90 1do9 h THR 65 CO 0.58 0.25 0.64 0.44 0.37 0.00 0.00 175.52 177.79 1do9 h ASP 66 N 0.19 0.96 -0.06 4.18 3.32 -2.00 0.62 116.42 123.63 1do9 h ASP 66 Ca 0.04 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1do9 h ASP 66 Cb 0.39 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1do9 h ASP 66 CO 0.02 0.54 -0.11 0.00 -1.72 0.00 0.00 179.24 177.98 1do9 h ALA 67 N 1.52 0.10 -0.81 3.45 0.00 -1.72 -2.98 119.26 118.82 1do9 h ALA 67 Ca 0.48 -0.33 0.23 0.00 0.00 0.00 0.00 54.91 55.29 1do9 h ALA 67 Cb 0.39 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1do9 h ALA 67 CO -0.23 -0.04 0.64 0.00 0.00 0.00 0.00 179.25 179.62 1do9 h ARG 68 N -0.31 0.00 0.00 0.00 3.08 -0.18 -2.52 114.38 114.47 1do9 h ARG 68 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1do9 h ARG 68 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1do9 h ARG 68 CO 0.02 0.00 -0.00 0.93 -1.07 0.00 0.00 179.97 179.85 1do9 h GLU 69 N 0.00 -0.00 -0.50 0.04 4.39 -0.80 -3.28 114.58 114.43 1do9 h GLU 69 Ca 0.38 0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.17 1do9 h GLU 69 Cb 1.66 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.28 1do9 h GLU 69 CO -0.00 0.79 0.34 -0.07 -1.16 0.00 0.00 179.01 178.91 1do9 h LEU 70 N -0.81 0.29 -1.36 1.33 3.38 -1.33 0.15 115.31 116.95 1do9 h LEU 70 Ca -0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 1do9 h LEU 70 Cb 0.80 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 1do9 h LEU 70 CO 0.00 0.18 0.59 0.28 0.09 0.00 0.00 178.44 179.58 1do9 h SER 71 N 0.32 0.55 -0.56 -0.43 0.02 -1.58 -0.03 113.55 111.84 1do9 h SER 71 Ca 0.23 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1do9 h SER 71 Cb 0.48 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1do9 h SER 71 CO -0.05 0.24 0.34 0.50 -1.14 0.00 0.00 176.83 176.72 1do9 h LYS 72 N 0.56 0.77 0.00 3.45 3.64 -0.76 -0.68 116.57 123.55 1do9 h LYS 72 Ca 0.47 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1do9 h LYS 72 Cb 0.95 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1do9 h LYS 72 CO -0.21 0.56 0.00 -2.37 -2.27 0.00 0.00 179.45 175.15 1do9 n THR 73 N -4.64 0.00 0.39 1.00 5.66 -0.11 -2.94 114.28 113.63 1do9 n THR 73 Ca 0.03 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.11 1do9 n THR 73 Cb 0.06 -0.47 -0.11 0.00 -1.55 0.00 0.00 70.33 68.26 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 -0.96 0.00 -1.78 1.09 3.72 -0.48 -4.94 117.46 114.11 1do9 n PHE 74 Ca 0.21 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.19 1do9 n PHE 74 Cb 0.10 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.43 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 -2.82 2.11 0.00 4.37 2.07 -0.38 -0.83 121.20 125.71 1do9 s ILE 75 Ca 0.00 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 1do9 s ILE 75 Cb 0.11 -3.05 0.00 0.00 0.13 0.00 0.00 42.46 39.65 1do9 s ILE 75 CO 0.67 0.01 0.37 2.30 -1.91 0.00 0.00 174.94 176.38 1do9 n ILE 76 N 2.90 0.03 -1.25 2.00 -6.64 -1.04 -4.90 119.36 110.47 1do9 n ILE 76 Ca 0.11 -0.36 0.00 0.00 -1.77 0.00 0.00 62.75 60.73 1do9 n ILE 76 Cb 0.37 1.28 0.00 0.00 -1.44 0.00 0.00 39.64 39.84 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 -0.02 -1.69 3.12 3.28 0.00 -1.25 -4.37 105.19 104.26 1do9 n GLY 77 Ca 0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.59 0.73 0.13 1.61 2.02 -1.26 -2.28 118.70 118.06 1do9 s GLU 78 Ca 0.00 -1.28 -0.32 0.00 0.02 0.00 0.00 54.97 53.39 1do9 s GLU 78 Cb 0.00 0.23 -0.11 0.00 0.10 0.00 0.00 34.13 34.34 1do9 s GLU 78 CO 0.00 -0.17 1.80 1.28 0.02 0.00 0.00 175.26 178.20 1do9 n LEU 79 N 0.03 3.96 -4.59 1.80 4.32 -1.23 -1.24 117.00 120.07 1do9 n LEU 79 Ca -0.11 1.01 -0.53 0.00 -0.02 0.00 0.00 56.01 56.35 1do9 n LEU 79 Cb 0.62 -1.54 -0.06 0.00 -1.62 0.00 0.00 43.42 40.82 1do9 n LEU 79 CO 0.29 0.14 0.89 1.41 -1.22 0.00 0.00 177.39 178.90 1do9 n HIS 80 N 5.23 1.44 -2.33 -1.77 8.25 -0.94 -4.79 115.22 120.31 1do9 n HIS 80 Ca 0.18 0.69 -0.35 0.00 -0.26 0.00 0.00 57.72 57.97 1do9 n HIS 80 Cb 0.36 -2.31 -0.03 0.00 1.12 0.00 0.00 29.99 29.13 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 0.66 3.22 0.18 -0.41 0.04 -1.26 -2.94 135.00 134.50 1do9 s PRO 81 Ca 0.86 -1.41 0.00 0.00 0.04 0.00 0.00 61.00 60.49 1do9 s PRO 81 Cb -1.01 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 28.17 1do9 s PRO 81 CO 0.50 -3.03 0.00 -3.47 0.04 0.00 0.00 177.00 171.03 1do9 n ASP 82 N 11.33 -1.63 -0.02 6.66 2.03 -1.26 -4.64 116.55 129.01 1do9 n ASP 82 Ca 0.45 0.56 0.00 0.00 0.52 0.00 0.00 54.79 56.32 1do9 n ASP 82 Cb 0.47 1.76 0.00 0.00 -0.72 0.00 0.00 41.12 42.63 1do9 n ASP 82 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1do9 n ASP 83 N -3.02 0.03 -2.81 1.67 8.00 -1.15 -2.77 116.55 116.50 1do9 n ASP 83 Ca 0.00 -1.20 -0.01 0.00 0.71 0.00 0.00 54.79 54.30 1do9 n ASP 83 Cb 0.00 -0.01 0.06 0.00 -0.02 0.00 0.00 41.12 41.15 1do9 n ASP 83 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1do9 n ARG 84 N -0.47 1.66 -1.94 -1.24 3.00 -1.26 -4.93 116.66 111.49 1do9 n ARG 84 Ca 0.00 -3.19 -0.19 0.00 -0.00 0.00 0.00 57.85 54.47 1do9 n ARG 84 Cb 0.01 -1.32 -0.05 0.00 0.00 0.00 0.00 32.46 31.10 1do9 n ARG 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1do9 n SER 85 N -0.71 -5.37 -2.77 6.15 2.88 -1.11 -1.47 113.62 111.22 1do9 n SER 85 Ca 0.04 0.24 -0.18 0.00 -1.33 0.00 0.00 58.87 57.64 1do9 n SER 85 Cb 0.81 -4.48 0.00 0.00 -0.75 0.00 0.00 64.21 59.79 1do9 n SER 85 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1do9 n LYS 86 N -2.63 -2.92 -1.76 -1.46 5.02 -1.20 -1.66 118.16 111.56 1do9 n LYS 86 Ca -0.21 0.67 -0.19 0.00 -2.02 0.00 0.00 58.31 56.56 1do9 n LYS 86 Cb 0.65 -5.35 -0.07 0.00 -0.02 0.00 0.00 35.03 30.24 1do9 n LYS 86 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1do9 n LEU 87 N -3.28 -1.51 0.00 -0.35 4.77 -0.54 -4.86 117.00 111.24 1do9 n LEU 87 Ca -0.12 0.37 -0.10 0.00 -0.03 0.00 0.00 56.01 56.13 1do9 n LEU 87 Cb 0.60 -2.73 -0.01 0.00 -2.33 0.00 0.00 43.42 38.96 1do9 n LEU 87 CO 0.32 -0.83 0.19 -0.24 -1.33 0.00 0.00 177.39 175.51 1do9 n SER 88 N -1.39 -1.20 -2.80 -1.43 2.88 -0.66 -5.11 113.62 103.91 1do9 n SER 88 Ca -0.20 -2.37 -0.10 0.00 -1.33 0.00 0.00 58.87 54.86 1do9 n SER 88 Cb 0.65 2.15 0.05 0.00 -0.75 0.00 0.00 64.21 66.31 1do9 n SER 88 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1do9 n LYS 89 N -0.43 0.88 -1.30 -1.46 3.00 -1.26 -4.73 118.16 112.86 1do9 n LYS 89 Ca -0.01 -2.01 -0.29 0.00 -0.00 0.00 0.00 58.31 56.00 1do9 n LYS 89 Cb 0.44 -1.30 0.20 0.00 0.00 0.00 0.00 35.03 34.38 1do9 n LYS 89 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1do9 s PRO 90 N 0.23 -0.17 0.33 1.64 0.04 -1.26 -5.10 135.00 130.71 1do9 s PRO 90 Ca 0.29 0.08 -0.12 0.00 0.04 0.00 0.00 61.00 61.29 1do9 s PRO 90 Cb 0.26 -1.71 0.02 0.00 0.04 0.00 0.00 34.50 33.11 1do9 s PRO 90 CO -0.15 -3.04 0.63 0.00 0.04 0.00 0.00 177.00 174.48 1do9 s MET 91 N -5.35 1.95 0.09 4.56 0.23 -1.26 -5.19 119.30 114.33 1do9 s MET 91 Ca 0.69 -1.42 -0.06 0.00 -1.03 0.00 0.00 55.69 53.86 1do9 s MET 91 Cb -0.12 0.54 -0.02 0.00 -1.53 0.00 0.00 34.83 33.71 1do9 s MET 91 CO 0.55 -0.86 0.14 -2.00 -2.03 0.00 0.00 175.02 170.82 1do9 s GLU 92 N -3.09 0.84 -0.06 3.16 -6.30 -1.26 -5.18 118.70 106.81 1do9 s GLU 92 Ca 0.20 -1.10 -0.29 0.00 -2.50 0.00 0.00 54.97 51.28 1do9 s GLU 92 Cb -0.03 0.31 0.10 0.00 0.00 0.00 0.00 34.13 34.51 1do9 s GLU 92 CO 0.13 -0.25 0.85 -0.08 0.02 0.00 0.00 175.26 175.93 1do9 s THR 93 N -3.91 0.00 -2.00 -1.70 -1.32 -1.26 -5.37 115.64 100.09 1do9 s THR 93 Ca 0.09 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.66 1do9 s THR 93 Cb 0.06 -1.00 0.26 0.00 -1.51 0.00 0.00 72.50 70.30 1do9 s THR 93 CO -0.08 0.00 0.99 -0.11 -2.21 0.00 0.00 174.62 173.21