#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 -2.50 -0.94 0.11 4.76 -1.26 -5.05 118.16 113.28 1do9 n LYS 2 Ca 0.00 1.65 0.00 0.00 -2.87 0.00 0.00 58.31 57.09 1do9 n LYS 2 Cb 0.00 -3.05 0.00 0.00 -1.84 0.00 0.00 35.03 30.14 1do9 n LYS 2 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1do9 n ASP 3 N -4.08 0.00 -3.67 4.39 -0.08 -1.26 -5.12 116.55 106.73 1do9 n ASP 3 Ca 0.01 -0.92 -0.29 0.00 -1.51 0.00 0.00 54.79 52.08 1do9 n ASP 3 Cb 0.57 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.89 1do9 n ASP 3 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1do9 s VAL 4 N -2.97 1.02 -1.33 5.18 1.01 -1.26 -4.41 120.40 117.64 1do9 s VAL 4 Ca 0.00 -2.07 -0.11 0.00 0.00 0.00 0.00 61.98 59.79 1do9 s VAL 4 Cb 0.00 -1.74 0.13 0.00 0.00 0.00 0.00 36.38 34.77 1do9 s VAL 4 CO 0.00 -0.85 1.95 1.17 0.00 0.00 0.00 175.10 177.36 1do9 n LYS 5 N 4.00 3.37 -0.61 2.72 3.00 -1.25 -4.74 118.16 124.65 1do9 n LYS 5 Ca 0.06 -3.27 -0.10 0.00 -0.00 0.00 0.00 58.31 55.00 1do9 n LYS 5 Cb 0.37 -3.06 -0.09 0.00 0.00 0.00 0.00 35.03 32.25 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 4.79 0.04 -3.73 5.64 4.02 -1.25 -4.39 117.16 122.29 1do9 n TYR 6 Ca 0.43 0.03 -0.33 0.00 -0.01 0.00 0.00 57.90 58.03 1do9 n TYR 6 Cb 0.38 -0.35 -0.05 0.00 -0.02 0.00 0.00 39.34 39.30 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 0.69 3.52 0.49 -0.72 2.02 -1.09 -4.80 117.35 117.46 1do9 s TYR 7 Ca 0.54 0.53 -0.05 0.00 -0.37 0.00 0.00 57.07 57.72 1do9 s TYR 7 Cb -0.38 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.18 1do9 s TYR 7 CO 0.23 0.52 0.79 0.95 -1.57 0.00 0.00 175.55 176.47 1do9 s THR 8 N -1.51 4.65 0.25 -0.71 -4.23 -1.26 -0.86 115.64 111.98 1do9 s THR 8 Ca 0.35 0.10 -0.03 0.00 -1.18 0.00 0.00 61.69 60.94 1do9 s THR 8 Cb -0.13 -3.77 0.23 0.00 1.34 0.00 0.00 72.50 70.17 1do9 s THR 8 CO 0.22 -0.75 1.81 -0.07 -0.54 0.00 0.00 174.62 175.30 1do9 h LEU 9 N 0.19 0.71 -0.92 4.79 -0.00 -1.98 -0.04 115.31 118.06 1do9 h LEU 9 Ca -0.47 0.05 0.13 0.00 -0.00 0.00 0.00 57.88 57.59 1do9 h LEU 9 Cb 1.22 -0.09 -0.09 0.00 -0.00 0.00 0.00 40.66 41.70 1do9 h LEU 9 CO 0.61 0.39 0.54 -0.33 -0.00 0.00 0.00 178.44 179.66 1do9 h GLU 10 N 0.82 0.80 -0.24 1.13 4.39 -1.98 -0.66 114.58 118.83 1do9 h GLU 10 Ca 0.42 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 60.05 1do9 h GLU 10 Cb 0.41 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1do9 h GLU 10 CO -0.26 0.53 0.07 0.93 -1.16 0.00 0.00 179.01 179.11 1do9 h GLU 11 N 0.82 0.39 -0.84 2.33 4.39 -1.38 0.30 114.58 120.58 1do9 h GLU 11 Ca 0.48 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 60.10 1do9 h GLU 11 Cb 0.55 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 1do9 h GLU 11 CO -0.30 0.48 0.56 0.82 -1.16 0.00 0.00 179.01 179.41 1do9 h ILE 12 N 0.22 1.22 0.00 3.13 2.04 -0.71 0.21 117.51 123.62 1do9 h ILE 12 Ca 0.08 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 1do9 h ILE 12 Cb 0.26 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1do9 h ILE 12 CO -0.00 0.21 -0.36 0.11 0.00 0.00 0.00 178.15 178.11 1do9 h LYS 13 N 1.14 0.00 0.00 2.37 1.57 -0.99 -1.96 116.57 118.70 1do9 h LYS 13 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1do9 h LYS 13 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1do9 h LYS 13 CO -0.07 0.36 0.00 1.17 -0.57 0.00 0.00 179.45 180.34 1do9 n LYS 14 N -3.71 0.11 -3.51 3.15 4.81 0.10 -3.97 118.16 115.14 1do9 n LYS 14 Ca -0.01 0.54 -0.29 0.00 -0.87 0.00 0.00 58.31 57.68 1do9 n LYS 14 Cb 0.45 -1.82 -0.14 0.00 0.02 0.00 0.00 35.03 33.55 1do9 n LYS 14 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1do9 s HIS 15 N -3.35 0.61 0.00 5.64 0.09 -0.74 -4.94 115.29 112.60 1do9 s HIS 15 Ca -0.00 -1.31 0.08 0.00 -0.00 0.00 0.00 55.06 53.83 1do9 s HIS 15 Cb 0.06 -0.96 0.13 0.00 -0.00 0.00 0.00 32.58 31.81 1do9 s HIS 15 CO 0.20 -0.83 0.95 0.27 -0.00 0.00 0.00 174.74 175.33 1do9 n ASN 16 N 4.61 0.08 0.01 1.40 0.23 -1.24 -2.77 115.26 117.59 1do9 n ASN 16 Ca 0.03 -1.80 -0.02 0.00 -0.53 0.00 0.00 54.58 52.26 1do9 n ASN 16 Cb 0.39 -0.08 -0.01 0.00 -2.08 0.00 0.00 39.78 38.01 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 0.15 0.00 0.00 -2.53 -0.00 -1.26 -4.76 115.22 106.82 1do9 n HIS 17 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.68 1do9 n HIS 17 Cb 0.80 -0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.68 1do9 n HIS 17 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1do9 n SER 18 N -3.47 0.00 0.22 0.41 7.64 -1.26 -4.82 113.62 112.34 1do9 n SER 18 Ca -0.03 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.00 1do9 n SER 18 Cb 0.11 0.00 0.68 0.00 -1.01 0.00 0.00 64.21 64.00 1do9 n SER 18 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1do9 h LYS 19 N 0.00 0.00 0.00 1.43 3.11 -1.97 -3.33 116.57 115.81 1do9 h LYS 19 Ca 0.00 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.65 1do9 h LYS 19 Cb 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 31.09 1do9 h LYS 19 CO 0.00 0.00 -0.27 0.43 -2.81 0.00 0.00 179.45 176.80 1do9 n SER 20 N -2.69 -1.99 -4.54 4.20 7.64 -1.26 -4.97 113.62 110.02 1do9 n SER 20 Ca 0.00 -3.04 -0.19 0.00 1.01 0.00 0.00 58.87 56.66 1do9 n SER 20 Cb 0.21 1.65 -0.11 0.00 -1.01 0.00 0.00 64.21 64.95 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 0.50 -0.01 -2.53 0.44 -1.04 -1.25 -3.64 114.28 106.76 1do9 n THR 21 Ca 0.02 -0.51 -0.23 0.00 -2.04 0.00 0.00 64.05 61.29 1do9 n THR 21 Cb 0.71 -1.49 0.04 0.00 -1.82 0.00 0.00 70.33 67.78 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 10.55 2.95 -0.20 -1.42 0.52 -1.11 -2.19 118.94 128.04 1do9 s TRP 22 Ca 1.05 0.20 -0.35 0.00 0.02 0.00 0.00 56.10 57.03 1do9 s TRP 22 Cb -0.37 -2.83 0.14 0.00 -1.15 0.00 0.00 33.47 29.26 1do9 s TRP 22 CO 0.24 -0.97 1.22 -0.48 0.02 0.00 0.00 176.95 176.98 1do9 s LEU 23 N -4.90 -0.13 -0.27 2.99 0.05 -0.39 -0.60 118.68 115.42 1do9 s LEU 23 Ca 0.57 0.01 -0.04 0.00 0.05 0.00 0.00 54.13 54.72 1do9 s LEU 23 Cb -0.10 1.37 0.02 0.00 -2.05 0.00 0.00 46.19 45.42 1do9 s LEU 23 CO 0.41 -0.22 0.00 -0.63 -0.55 0.00 0.00 176.35 175.36 1do9 s ILE 24 N -2.28 3.37 -0.88 1.48 1.01 -0.36 -1.01 121.20 122.52 1do9 s ILE 24 Ca 0.09 -0.86 0.15 0.00 0.00 0.00 0.00 60.65 60.02 1do9 s ILE 24 Cb -0.01 -2.72 0.47 0.00 0.01 0.00 0.00 42.46 40.21 1do9 s ILE 24 CO -0.05 0.15 1.39 0.18 0.00 0.00 0.00 174.94 176.62 1do9 n LEU 25 N 4.76 3.59 0.00 2.97 4.77 -1.26 -0.81 117.00 131.02 1do9 n LEU 25 Ca -0.16 -2.32 0.00 0.00 -0.03 0.00 0.00 56.01 53.50 1do9 n LEU 25 Cb 0.47 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1do9 n LEU 25 CO 0.29 0.76 0.00 0.00 -1.33 0.00 0.00 177.39 177.10 1do9 n HIS 26 N 0.49 0.00 -3.26 -1.77 1.44 -1.26 -4.52 115.22 106.34 1do9 n HIS 26 Ca 0.18 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.73 1do9 n HIS 26 Cb 0.64 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.71 1do9 n HIS 26 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1do9 n HIS 27 N 0.00 -0.59 -4.01 -1.40 1.44 -1.26 -4.85 115.22 104.55 1do9 n HIS 27 Ca 0.00 0.30 -0.11 0.00 -2.01 0.00 0.00 57.72 55.90 1do9 n HIS 27 Cb 0.00 -1.22 -0.04 0.00 0.12 0.00 0.00 29.99 28.85 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 -4.81 1.74 -0.25 -1.40 3.01 -1.26 -4.57 119.74 112.20 1do9 s LYS 28 Ca 0.10 -1.45 0.01 0.00 -1.01 0.00 0.00 55.97 53.62 1do9 s LYS 28 Cb -0.06 0.47 0.06 0.00 -1.01 0.00 0.00 37.83 37.30 1do9 s LYS 28 CO 0.48 -0.73 -0.05 0.08 0.51 0.00 0.00 175.35 175.64 1do9 s VAL 29 N -3.51 1.60 -0.07 3.17 1.01 -0.36 -4.11 120.40 118.13 1do9 s VAL 29 Ca 0.25 -1.33 -0.09 0.00 0.00 0.00 0.00 61.98 60.81 1do9 s VAL 29 Cb -0.01 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 1do9 s VAL 29 CO 0.13 -0.15 0.23 -0.31 0.00 0.00 0.00 175.10 175.00 1do9 s TYR 30 N 1.35 3.63 -0.27 5.22 2.02 -0.18 -1.63 117.35 127.49 1do9 s TYR 30 Ca -0.05 0.66 0.03 0.00 -0.37 0.00 0.00 57.07 57.34 1do9 s TYR 30 Cb -0.19 -2.04 0.07 0.00 -0.40 0.00 0.00 41.96 39.40 1do9 s TYR 30 CO -0.07 0.70 -0.08 0.34 -1.57 0.00 0.00 175.55 174.87 1do9 s ASP 31 N -1.14 4.48 -0.22 2.29 -1.08 0.07 -1.27 116.67 119.81 1do9 s ASP 31 Ca 0.19 -1.53 0.13 0.00 -0.52 0.00 0.00 52.55 50.82 1do9 s ASP 31 Cb -0.13 -1.55 0.45 0.00 -1.46 0.00 0.00 42.92 40.23 1do9 s ASP 31 CO 0.08 -0.23 1.33 0.18 0.52 0.00 0.00 175.17 177.06 1do9 n LEU 32 N 4.41 3.38 -0.03 -1.34 4.77 -0.93 -4.58 117.00 122.67 1do9 n LEU 32 Ca -0.11 -3.52 -0.09 0.00 -0.03 0.00 0.00 56.01 52.26 1do9 n LEU 32 Cb 0.42 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1do9 n LEU 32 CO 0.21 1.07 0.87 0.74 -1.33 0.00 0.00 177.39 178.95 1do9 h THR 33 N 0.94 0.89 -0.00 -5.08 2.02 -1.86 0.38 112.91 110.20 1do9 h THR 33 Ca 0.08 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1do9 h THR 33 Cb 1.33 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1do9 h THR 33 CO 0.18 0.01 -0.03 1.17 0.37 0.00 0.00 175.52 177.23 1do9 n LYS 34 N -5.11 0.90 0.00 6.66 0.00 -1.26 -2.85 118.16 116.50 1do9 n LYS 34 Ca -0.03 -0.20 0.08 0.00 0.00 0.00 0.00 58.31 58.17 1do9 n LYS 34 Cb 0.09 -1.50 -0.09 0.00 0.00 0.00 0.00 35.03 33.53 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 -0.88 0.00 0.01 5.64 7.35 -0.40 -4.55 117.46 124.63 1do9 n PHE 35 Ca 0.19 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.76 1do9 n PHE 35 Cb 0.21 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.99 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 0.15 -1.13 -2.30 -2.13 3.38 -0.16 0.11 115.31 113.23 1do9 h LEU 36 Ca 0.00 0.16 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1do9 h LEU 36 Cb 0.43 0.47 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 1do9 h LEU 36 CO 0.00 -0.40 0.13 -0.62 0.09 0.00 0.00 178.44 177.64 1do9 n GLU 37 N -5.42 1.56 0.00 1.13 1.02 -1.26 -3.22 120.64 114.44 1do9 n GLU 37 Ca -0.04 -0.84 0.00 0.00 -0.02 0.00 0.00 57.16 56.26 1do9 n GLU 37 Cb 0.34 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1do9 n GLU 37 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1do9 n GLU 38 N 0.08 0.00 -3.32 3.49 1.02 0.20 -5.08 120.64 117.03 1do9 n GLU 38 Ca 0.14 -0.43 -0.38 0.00 -0.02 0.00 0.00 57.16 56.46 1do9 n GLU 38 Cb 0.73 -0.48 -0.07 0.00 -0.02 0.00 0.00 31.44 31.61 1do9 n GLU 38 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1do9 s HIS 39 N 0.00 3.43 -0.73 -0.32 2.46 -0.15 -5.00 115.29 114.99 1do9 s HIS 39 Ca 0.00 0.77 -0.26 0.00 0.47 0.00 0.00 55.06 56.05 1do9 s HIS 39 Cb 0.00 -2.58 -0.02 0.00 -0.13 0.00 0.00 32.58 29.85 1do9 s HIS 39 CO 0.00 0.04 1.80 -1.25 -2.47 0.00 0.00 174.74 172.85 1do9 s PRO 40 N 1.12 2.72 0.00 2.88 0.04 -1.26 -3.88 135.00 136.62 1do9 s PRO 40 Ca 0.23 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.45 1do9 s PRO 40 Cb -0.15 -4.60 0.00 0.00 0.04 0.00 0.00 34.50 29.79 1do9 s PRO 40 CO 0.09 -2.81 0.00 0.41 0.04 0.00 0.00 177.00 174.73 1do9 n GLY 41 N 6.04 0.45 3.61 0.56 0.00 -1.26 -5.11 105.19 109.47 1do9 n GLY 41 Ca 0.24 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 0.20 -0.07 -0.02 0.00 -1.25 -5.07 107.32 101.11 1do9 s GLY 42 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.20 1do9 s GLY 42 CO 0.00 -0.41 -0.04 1.18 0.00 0.00 0.00 173.10 173.84 1do9 n GLU 43 N -0.38 1.13 0.01 2.90 4.71 -1.26 -4.60 120.64 123.14 1do9 n GLU 43 Ca -0.05 0.03 -0.09 0.00 -0.01 0.00 0.00 57.16 57.03 1do9 n GLU 43 Cb 0.62 -1.15 0.05 0.00 -1.01 0.00 0.00 31.44 29.95 1do9 n GLU 43 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1do9 h GLU 44 N 0.00 0.54 -0.13 3.49 4.81 -1.97 -1.65 114.58 119.67 1do9 h GLU 44 Ca -0.17 -0.35 0.04 0.00 -0.13 0.00 0.00 59.36 58.75 1do9 h GLU 44 Cb 1.30 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1do9 h GLU 44 CO -0.01 0.96 0.29 -0.39 -0.73 0.00 0.00 179.01 179.12 1do9 h VAL 45 N 0.42 0.19 0.00 0.32 -1.51 -1.99 0.20 116.25 113.87 1do9 h VAL 45 Ca 0.01 0.00 -0.22 0.00 -1.23 0.00 0.00 66.70 65.26 1do9 h VAL 45 Cb 1.10 0.74 -0.03 0.00 -2.13 0.00 0.00 31.29 30.97 1do9 h VAL 45 CO 0.10 0.00 -1.06 -0.07 -1.23 0.00 0.00 177.57 175.31 1do9 h LEU 46 N 0.00 0.00 0.00 4.19 3.38 -1.55 -2.83 115.31 118.50 1do9 h LEU 46 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1do9 h LEU 46 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1do9 h LEU 46 CO -0.00 0.99 0.00 -1.14 0.09 0.00 0.00 178.44 178.38 1do9 n ARG 47 N -3.31 0.58 0.15 1.13 0.63 0.62 -2.61 116.66 113.85 1do9 n ARG 47 Ca -0.02 0.02 0.02 0.00 -0.92 0.00 0.00 57.85 56.96 1do9 n ARG 47 Cb 0.95 -1.50 0.10 0.00 0.45 0.00 0.00 32.46 32.46 1do9 n ARG 47 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1do9 h GLU 48 N 0.00 0.00 0.00 -0.14 4.22 -1.11 -3.26 114.58 114.29 1do9 h GLU 48 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1do9 h GLU 48 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1do9 h GLU 48 CO 0.00 0.51 0.00 1.04 -2.18 0.00 0.00 179.01 178.38 1do9 n GLN 49 N -3.33 1.93 -1.51 1.92 1.13 -1.23 -5.06 117.38 111.23 1do9 n GLN 49 Ca 0.01 -1.16 -0.41 0.00 -1.94 0.00 0.00 57.00 53.50 1do9 n GLN 49 Cb 0.69 -0.89 0.02 0.00 0.11 0.00 0.00 30.24 30.16 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 -0.34 -0.86 -2.13 -1.58 0.00 -1.07 -0.99 120.51 113.54 1do9 n ALA 50 Ca 0.00 0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.43 1do9 n ALA 50 Cb 0.27 -1.89 -0.02 0.00 0.00 0.00 0.00 19.45 17.81 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 1.59 0.06 3.57 0.00 0.00 0.23 -4.84 105.19 105.80 1do9 n GLY 51 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1do9 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1do9 s GLY 52 N -2.09 1.12 -0.69 -0.02 0.00 -0.16 -4.31 107.32 101.16 1do9 s GLY 52 Ca 0.00 -1.26 -0.27 0.00 0.00 0.00 0.00 44.72 43.18 1do9 s GLY 52 CO 0.00 -0.80 1.27 -0.35 0.00 0.00 0.00 173.10 173.22 1do9 s ASP 53 N -3.17 6.22 0.00 1.64 2.15 -1.26 -1.23 116.67 121.02 1do9 s ASP 53 Ca 0.26 -0.28 0.25 0.00 0.43 0.00 0.00 52.55 53.21 1do9 s ASP 53 Cb -0.01 -2.56 0.43 0.00 -0.30 0.00 0.00 42.92 40.48 1do9 s ASP 53 CO 0.17 -1.75 1.37 0.00 -0.17 0.00 0.00 175.17 174.79 1do9 n ALA 54 N 9.19 2.94 -0.20 3.66 0.00 -0.16 -4.61 120.51 131.32 1do9 n ALA 54 Ca 0.05 -0.57 -0.04 0.00 0.00 0.00 0.00 53.44 52.88 1do9 n ALA 54 Cb 0.49 -0.95 0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 2.83 0.22 -0.48 0.00 2.02 -1.21 0.14 112.91 116.44 1do9 h THR 55 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 1do9 h THR 55 Cb 0.72 0.22 -0.09 0.00 -1.74 0.00 0.00 68.15 67.26 1do9 h THR 55 CO 0.00 0.00 -0.12 -0.33 0.37 0.00 0.00 175.52 175.44 1do9 h GLU 56 N -0.14 -0.00 0.52 6.66 4.39 -1.88 -0.59 114.58 123.54 1do9 h GLU 56 Ca 0.25 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 1do9 h GLU 56 Cb 0.53 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 1do9 h GLU 56 CO -0.66 -0.00 -0.43 -0.91 -1.16 0.00 0.00 179.01 175.85 1do9 h ASN 57 N -0.00 -1.15 -0.90 1.42 4.21 -1.13 0.78 115.58 118.81 1do9 h ASN 57 Ca 0.23 0.09 0.24 0.00 1.21 0.00 0.00 56.30 58.07 1do9 h ASN 57 Cb 0.35 0.37 -0.14 0.00 -1.12 0.00 0.00 38.32 37.78 1do9 h ASN 57 CO -0.49 -0.61 0.31 0.15 -1.29 0.00 0.00 177.43 175.50 1do9 h PHE 58 N -0.94 0.49 0.30 1.19 3.04 -0.47 0.35 116.94 120.91 1do9 h PHE 58 Ca -0.06 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1do9 h PHE 58 Cb 0.80 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.24 1do9 h PHE 58 CO -0.19 -0.17 -0.15 0.93 -2.02 0.00 0.00 178.31 176.72 1do9 h GLU 59 N 0.27 -0.39 -0.89 1.11 4.39 -0.40 -3.21 114.58 115.45 1do9 h GLU 59 Ca 0.58 0.03 0.21 0.00 0.34 0.00 0.00 59.36 60.51 1do9 h GLU 59 Cb 1.17 0.09 -0.12 0.00 -0.10 0.00 0.00 28.75 29.79 1do9 h GLU 59 CO -0.62 -0.08 0.40 0.22 -1.16 0.00 0.00 179.01 177.77 1do9 h ASP 60 N -0.97 0.37 -0.49 1.42 1.82 -0.53 0.52 116.42 118.56 1do9 h ASP 60 Ca -0.04 0.14 0.10 0.00 -0.39 0.00 0.00 57.03 56.84 1do9 h ASP 60 Cb 0.49 0.11 -0.10 0.00 0.68 0.00 0.00 39.33 40.51 1do9 h ASP 60 CO 0.07 0.04 -0.16 0.58 -1.61 0.00 0.00 179.24 178.16 1do9 h VAL 61 N 0.45 0.44 0.00 2.25 2.07 -1.00 -3.46 116.25 117.00 1do9 h VAL 61 Ca 0.54 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.06 1do9 h VAL 61 Cb 0.98 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1do9 h VAL 61 CO -0.50 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.70 1do9 n GLY 62 N -1.38 1.01 3.15 2.17 0.00 0.17 -5.09 105.19 105.23 1do9 n GLY 62 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.21 -1.94 -3.30 1.61 8.25 -1.21 -5.01 115.22 113.40 1do9 n HIS 63 Ca 0.00 0.61 -0.22 0.00 -0.26 0.00 0.00 57.72 57.86 1do9 n HIS 63 Cb 0.00 -1.70 0.04 0.00 1.12 0.00 0.00 29.99 29.45 1do9 n HIS 63 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1do9 s SER 64 N -0.95 4.97 0.44 0.41 0.15 -1.26 -4.96 113.70 112.49 1do9 s SER 64 Ca 0.57 -0.96 0.11 0.00 0.70 0.00 0.00 55.95 56.37 1do9 s SER 64 Cb -0.62 0.31 0.98 0.00 -1.71 0.00 0.00 66.02 64.97 1do9 s SER 64 CO 0.60 -1.25 2.06 0.74 1.20 0.00 0.00 173.24 176.58 1do9 h THR 65 N 0.37 1.09 -0.92 6.45 2.02 -1.98 -1.29 112.91 118.65 1do9 h THR 65 Ca -0.32 -0.27 0.22 0.00 0.77 0.00 0.00 66.41 66.81 1do9 h THR 65 Cb 1.29 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 68.48 1do9 h THR 65 CO 0.46 0.10 0.61 -0.78 0.37 0.00 0.00 175.52 176.28 1do9 h ASP 66 N 0.29 0.35 0.00 4.18 1.82 -2.00 0.11 116.42 121.17 1do9 h ASP 66 Ca 0.07 0.04 -0.08 0.00 -0.39 0.00 0.00 57.03 56.67 1do9 h ASP 66 Cb 0.06 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 1do9 h ASP 66 CO -0.01 0.13 -0.45 0.00 -1.61 0.00 0.00 179.24 177.30 1do9 h ALA 67 N 1.60 0.09 -0.90 -0.78 0.00 -1.66 -3.26 119.26 114.35 1do9 h ALA 67 Ca 0.48 -0.73 0.22 0.00 0.00 0.00 0.00 54.91 54.88 1do9 h ALA 67 Cb 1.30 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 19.30 1do9 h ALA 67 CO -0.16 0.26 0.61 -0.09 0.00 0.00 0.00 179.25 179.86 1do9 h ARG 68 N -1.00 0.26 -0.07 0.00 1.12 -0.21 -1.13 114.38 113.36 1do9 h ARG 68 Ca -0.12 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.70 1do9 h ARG 68 Cb 1.06 -0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 30.96 1do9 h ARG 68 CO -0.07 0.17 -0.06 1.49 -3.11 0.00 0.00 179.97 178.38 1do9 h GLU 69 N 0.27 0.16 -0.92 0.20 4.81 -0.98 -2.77 114.58 115.36 1do9 h GLU 69 Ca 0.46 -0.08 0.11 0.00 -0.13 0.00 0.00 59.36 59.72 1do9 h GLU 69 Cb 1.35 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.66 1do9 h GLU 69 CO -0.13 0.60 0.59 -0.07 -0.73 0.00 0.00 179.01 179.27 1do9 h LEU 70 N -0.27 0.81 -1.59 1.64 3.38 -1.28 0.11 115.31 118.11 1do9 h LEU 70 Ca 0.01 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.17 1do9 h LEU 70 Cb 0.57 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1do9 h LEU 70 CO 0.02 0.45 0.52 0.28 0.09 0.00 0.00 178.44 179.80 1do9 h SER 71 N 0.88 0.37 -0.17 -0.43 0.02 -1.06 -0.53 113.55 112.63 1do9 h SER 71 Ca 0.44 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.46 1do9 h SER 71 Cb 0.48 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1do9 h SER 71 CO -0.20 0.18 0.14 0.50 -1.14 0.00 0.00 176.83 176.31 1do9 h LYS 72 N 0.39 0.00 -0.13 3.45 3.64 -0.58 0.18 116.57 123.53 1do9 h LYS 72 Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1do9 h LYS 72 Cb 0.93 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1do9 h LYS 72 CO -0.12 0.00 0.00 -2.37 -2.27 0.00 0.00 179.45 174.69 1do9 n THR 73 N -4.25 0.15 -0.04 1.00 5.66 -0.21 -4.03 114.28 112.56 1do9 n THR 73 Ca 0.01 -0.36 -0.02 0.00 -3.05 0.00 0.00 64.05 60.63 1do9 n THR 73 Cb 0.27 0.54 -0.08 0.00 -1.55 0.00 0.00 70.33 69.50 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 0.44 0.00 -1.74 1.09 3.72 0.50 -4.99 117.46 116.48 1do9 n PHE 74 Ca 0.17 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.15 1do9 n PHE 74 Cb 0.38 -0.42 -0.02 0.00 -0.94 0.00 0.00 39.48 38.48 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 -2.22 0.63 0.02 4.37 3.06 -0.33 -0.75 119.36 124.14 1do9 n ILE 75 Ca -0.12 -0.16 0.00 0.00 -2.50 0.00 0.00 62.75 59.98 1do9 n ILE 75 Cb 0.66 -1.99 0.00 0.00 0.54 0.00 0.00 39.64 38.85 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 2.87 0.05 -2.98 9.51 -6.64 -0.64 -4.88 119.36 116.64 1do9 n ILE 76 Ca 0.11 -0.52 0.00 0.00 -1.77 0.00 0.00 62.75 60.57 1do9 n ILE 76 Cb 0.36 0.98 0.00 0.00 -1.44 0.00 0.00 39.64 39.55 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 0.00 -0.91 3.08 3.28 0.00 -1.22 -3.80 105.19 105.62 1do9 n GLY 77 Ca 0.00 -1.38 -0.27 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.99 2.17 0.56 1.61 -6.30 -1.26 -1.22 118.70 112.27 1do9 s GLU 78 Ca 0.00 -0.57 -0.21 0.00 -2.50 0.00 0.00 54.97 51.69 1do9 s GLU 78 Cb 0.00 -1.75 -0.04 0.00 0.00 0.00 0.00 34.13 32.34 1do9 s GLU 78 CO 0.00 0.05 1.30 -0.48 0.02 0.00 0.00 175.26 176.15 1do9 s LEU 79 N 0.66 3.79 0.58 2.70 2.34 -1.26 -2.69 118.68 124.80 1do9 s LEU 79 Ca -0.14 2.63 -0.18 0.00 0.06 0.00 0.00 54.13 56.50 1do9 s LEU 79 Cb -0.16 -4.38 -0.07 0.00 -0.56 0.00 0.00 46.19 41.02 1do9 s LEU 79 CO 0.04 -1.58 0.75 1.41 -1.06 0.00 0.00 176.35 175.90 1do9 n HIS 80 N -1.21 0.08 0.37 3.48 8.25 -0.04 -4.82 115.22 121.33 1do9 n HIS 80 Ca 0.12 0.44 0.06 0.00 -0.26 0.00 0.00 57.72 58.08 1do9 n HIS 80 Cb 0.47 -2.05 0.26 0.00 1.12 0.00 0.00 29.99 29.79 1do9 n HIS 80 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1do9 n PRO 81 N -0.51 0.02 -0.27 -0.41 -0.04 -1.26 -3.24 135.00 129.29 1do9 n PRO 81 Ca 0.13 0.33 0.03 0.00 -0.04 0.00 0.00 63.50 63.95 1do9 n PRO 81 Cb 0.47 -1.54 0.12 0.00 -0.04 0.00 0.00 33.50 32.51 1do9 n PRO 81 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1do9 h ASP 82 N 0.00 -0.60 -1.58 3.54 3.58 -1.88 0.21 116.42 119.69 1do9 h ASP 82 Ca 0.00 0.22 -0.56 0.00 0.42 0.00 0.00 57.03 57.11 1do9 h ASP 82 Cb 0.19 0.44 -0.42 0.00 1.72 0.00 0.00 39.33 41.27 1do9 h ASP 82 CO 0.00 -0.24 -0.78 -0.67 -2.88 0.00 0.00 179.24 174.67 1do9 n ASP 83 N -5.46 4.22 0.00 2.28 2.03 -1.20 -4.29 116.55 114.13 1do9 n ASP 83 Ca 0.12 -3.59 0.00 0.00 0.52 0.00 0.00 54.79 51.84 1do9 n ASP 83 Cb 0.43 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 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 -0.38 0.00 0.00 -0.67 0.00 -0.76 -5.01 116.66 109.84 1do9 n ARG 84 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.19 1do9 n ARG 84 Cb 0.64 -0.19 0.00 0.00 0.00 0.00 0.00 32.46 32.91 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 -1.27 0.00 -2.54 6.15 2.88 -0.29 -4.93 113.62 113.61 1do9 n SER 85 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1do9 n SER 85 Cb 0.00 0.03 -0.07 0.00 -0.75 0.00 0.00 64.21 63.42 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 -1.90 1.61 -4.60 -1.46 4.81 0.58 -4.83 118.16 112.36 1do9 n LYS 86 Ca 0.00 -0.95 -0.28 0.00 -0.87 0.00 0.00 58.31 56.21 1do9 n LYS 86 Cb 0.00 -2.05 -0.11 0.00 0.02 0.00 0.00 35.03 32.89 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 0.04 2.89 0.28 3.14 1.43 -1.26 -4.67 118.68 120.53 1do9 s LEU 87 Ca 0.42 -1.36 -0.30 0.00 -1.03 0.00 0.00 54.13 51.86 1do9 s LEU 87 Cb 0.17 -0.92 -0.11 0.00 0.03 0.00 0.00 46.19 45.36 1do9 s LEU 87 CO -0.01 -0.45 1.53 -0.44 0.23 0.00 0.00 176.35 177.21 1do9 s SER 88 N -3.72 6.47 0.00 2.29 0.01 -1.26 -4.11 113.70 113.38 1do9 s SER 88 Ca 0.35 2.86 0.00 0.00 1.31 0.00 0.00 55.95 60.47 1do9 s SER 88 Cb 0.10 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1do9 s SER 88 CO 0.18 -0.84 0.00 1.17 0.41 0.00 0.00 173.24 174.17 1do9 n LYS 89 N 2.11 0.00 -0.33 12.44 0.00 -1.26 -5.15 118.16 125.97 1do9 n LYS 89 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.33 1do9 n LYS 89 Cb 0.38 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.46 1do9 n LYS 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1do9 n PRO 90 N 0.00 -0.44 -3.29 1.64 -0.04 -1.26 -5.07 135.00 126.54 1do9 n PRO 90 Ca 0.00 -0.38 -0.17 0.00 -0.04 0.00 0.00 63.50 62.91 1do9 n PRO 90 Cb 0.00 -0.27 -0.07 0.00 -0.04 0.00 0.00 33.50 33.12 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 -3.54 0.75 0.41 0.54 1.75 -1.26 -5.14 119.30 112.82 1do9 s MET 91 Ca 0.14 -1.14 -0.24 0.00 -1.25 0.00 0.00 55.69 53.20 1do9 s MET 91 Cb -0.01 -0.77 -0.11 0.00 2.84 0.00 0.00 34.83 36.78 1do9 s MET 91 CO 0.10 -1.25 0.89 -0.85 -0.65 0.00 0.00 175.02 173.26 1do9 n GLU 92 N 3.78 1.13 -3.54 4.11 0.28 -1.26 -5.01 120.64 120.13 1do9 n GLU 92 Ca 0.16 0.40 -0.17 0.00 -0.16 0.00 0.00 57.16 57.39 1do9 n GLU 92 Cb 0.47 -1.88 -0.06 0.00 1.43 0.00 0.00 31.44 31.40 1do9 n GLU 92 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 1do9 s THR 93 N -1.30 0.00 0.00 3.84 -1.32 -1.26 -5.30 115.64 110.30 1do9 s THR 93 Ca 0.63 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 61.10 1do9 s THR 93 Cb -0.59 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.41 1do9 s THR 93 CO 0.57 -0.00 0.00 -0.11 -2.21 0.00 0.00 174.62 172.87