#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 1.91 -0.15 0.11 1.02 -1.26 -5.11 119.74 116.26 1do9 s LYS 2 Ca 0.00 -1.26 -0.00 0.00 0.02 0.00 0.00 55.97 54.73 1do9 s LYS 2 Cb 0.00 -2.11 0.03 0.00 -0.52 0.00 0.00 37.83 35.23 1do9 s LYS 2 CO 0.00 0.45 -0.08 0.16 -0.92 0.00 0.00 175.35 174.95 1do9 s ASP 3 N -2.55 2.61 -0.49 2.83 -4.77 -1.26 -5.07 116.67 107.97 1do9 s ASP 3 Ca 0.22 -0.51 0.03 0.00 -3.30 0.00 0.00 52.55 48.99 1do9 s ASP 3 Cb -0.09 -0.97 0.16 0.00 -1.09 0.00 0.00 42.92 40.92 1do9 s ASP 3 CO 0.13 -0.13 0.35 -0.69 0.70 0.00 0.00 175.17 175.52 1do9 s VAL 4 N 1.61 1.30 -0.26 2.11 1.01 -1.26 -3.92 120.40 120.99 1do9 s VAL 4 Ca 0.03 -3.00 -0.05 0.00 0.00 0.00 0.00 61.98 58.96 1do9 s VAL 4 Cb -0.14 -1.89 -0.08 0.00 0.00 0.00 0.00 36.38 34.28 1do9 s VAL 4 CO -0.09 -1.06 3.13 1.17 0.00 0.00 0.00 175.10 178.25 1do9 n LYS 5 N 2.88 2.23 -0.03 2.72 3.00 -1.11 -4.76 118.16 123.09 1do9 n LYS 5 Ca 0.20 -1.78 0.00 0.00 -0.00 0.00 0.00 58.31 56.73 1do9 n LYS 5 Cb 0.40 -2.08 0.00 0.00 0.00 0.00 0.00 35.03 33.35 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 1.55 0.00 -4.09 5.64 4.01 -1.26 -4.71 117.16 118.30 1do9 n TYR 6 Ca 0.46 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.89 1do9 n TYR 6 Cb 0.70 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.67 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 0.00 3.23 0.56 -0.72 2.02 -0.49 -4.79 117.35 117.16 1do9 s TYR 7 Ca 0.00 0.14 -0.07 0.00 -0.37 0.00 0.00 57.07 56.77 1do9 s TYR 7 Cb 0.00 -1.68 -0.02 0.00 -0.40 0.00 0.00 41.96 39.86 1do9 s TYR 7 CO 0.00 0.53 0.89 0.95 -1.57 0.00 0.00 175.55 176.35 1do9 s THR 8 N -1.28 4.36 0.30 -0.71 -4.23 -1.26 -1.43 115.64 111.39 1do9 s THR 8 Ca 0.26 0.29 0.05 0.00 -1.18 0.00 0.00 61.69 61.11 1do9 s THR 8 Cb -0.12 -3.71 0.30 0.00 1.34 0.00 0.00 72.50 70.31 1do9 s THR 8 CO 0.18 -0.77 1.81 -0.07 -0.54 0.00 0.00 174.62 175.23 1do9 h LEU 9 N -0.07 0.82 -0.36 4.79 -0.00 -1.98 -0.50 115.31 118.00 1do9 h LEU 9 Ca -0.46 0.07 0.04 0.00 -0.00 0.00 0.00 57.88 57.54 1do9 h LEU 9 Cb 1.22 -0.08 -0.04 0.00 -0.00 0.00 0.00 40.66 41.76 1do9 h LEU 9 CO 0.62 0.36 0.12 -0.08 -0.00 0.00 0.00 178.44 179.45 1do9 h GLU 10 N 0.83 0.26 -0.70 1.13 4.57 -1.95 -0.36 114.58 118.36 1do9 h GLU 10 Ca 0.54 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.73 1do9 h GLU 10 Cb 0.75 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.24 1do9 h GLU 10 CO -0.32 0.17 0.44 0.93 -1.18 0.00 0.00 179.01 179.05 1do9 h GLU 11 N 0.27 0.84 -0.47 1.92 4.39 -1.47 0.26 114.58 120.32 1do9 h GLU 11 Ca 0.16 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.73 1do9 h GLU 11 Cb 0.15 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1do9 h GLU 11 CO -0.17 0.55 -0.03 0.82 -1.16 0.00 0.00 179.01 179.02 1do9 h ILE 12 N 0.86 1.25 -0.02 3.13 2.04 -0.97 -0.83 117.51 122.97 1do9 h ILE 12 Ca 0.28 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1do9 h ILE 12 Cb 0.01 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1do9 h ILE 12 CO -0.10 0.37 0.00 0.29 0.00 0.00 0.00 178.15 178.71 1do9 n LYS 13 N -4.20 1.11 0.03 2.37 4.01 -0.22 -3.11 118.16 118.15 1do9 n LYS 13 Ca 0.02 -0.16 0.11 0.00 -0.51 0.00 0.00 58.31 57.77 1do9 n LYS 13 Cb 0.32 -1.38 -0.01 0.00 -0.51 0.00 0.00 35.03 33.46 1do9 n LYS 13 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1do9 n LYS 14 N -0.69 0.33 0.00 1.97 4.81 0.83 -4.85 118.16 120.56 1do9 n LYS 14 Ca 0.18 -0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 1do9 n LYS 14 Cb 0.12 -1.60 0.00 0.00 0.02 0.00 0.00 35.03 33.57 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 -2.02 0.00 0.00 5.64 8.25 -1.16 -4.85 115.22 121.08 1do9 n HIS 15 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1do9 n HIS 15 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 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 -4.86 0.41 0.23 -1.25 -4.96 115.26 104.82 1do9 n ASN 16 Ca 0.00 0.00 -0.25 0.00 -0.53 0.00 0.00 54.58 53.80 1do9 n ASN 16 Cb 0.00 -0.17 0.07 0.00 -2.08 0.00 0.00 39.78 37.60 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 -2.58 2.67 -1.45 -2.53 3.76 -1.26 -4.85 115.29 109.05 1do9 s HIS 17 Ca 0.00 0.23 -0.10 0.00 -0.15 0.00 0.00 55.06 55.04 1do9 s HIS 17 Cb 0.00 -3.12 -0.07 0.00 1.11 0.00 0.00 32.58 30.51 1do9 s HIS 17 CO 0.00 -1.38 2.68 0.45 -0.85 0.00 0.00 174.74 175.64 1do9 n SER 18 N -2.82 7.24 0.00 1.40 2.88 -1.26 -3.23 113.62 117.83 1do9 n SER 18 Ca 0.09 -2.56 0.00 0.00 -1.33 0.00 0.00 58.87 55.07 1do9 n SER 18 Cb 0.60 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 1do9 n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1do9 n LYS 19 N 4.13 0.00 -2.93 -1.46 3.00 -1.26 -4.99 118.16 114.65 1do9 n LYS 19 Ca 0.68 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.86 1do9 n LYS 19 Cb 0.24 -0.08 0.03 0.00 0.00 0.00 0.00 35.03 35.22 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 -1.16 -1.03 -4.54 3.14 7.64 -1.21 -4.92 113.62 111.53 1do9 n SER 20 Ca 0.00 -3.36 -0.25 0.00 1.01 0.00 0.00 58.87 56.28 1do9 n SER 20 Cb 0.00 0.81 -0.09 0.00 -1.01 0.00 0.00 64.21 63.92 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 0.48 -0.03 -2.74 0.44 -1.04 -1.20 -3.96 114.28 106.24 1do9 n THR 21 Ca 0.14 -0.53 -0.22 0.00 -2.04 0.00 0.00 64.05 61.40 1do9 n THR 21 Cb 0.67 -1.75 0.03 0.00 -1.82 0.00 0.00 70.33 67.46 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 11.03 3.01 -0.01 -1.42 0.52 -1.26 -0.66 118.94 130.16 1do9 s TRP 22 Ca 1.06 0.12 -0.30 0.00 0.02 0.00 0.00 56.10 57.00 1do9 s TRP 22 Cb -0.39 -2.61 0.11 0.00 -1.15 0.00 0.00 33.47 29.43 1do9 s TRP 22 CO 0.26 -0.70 1.12 -0.48 0.02 0.00 0.00 176.95 177.17 1do9 s LEU 23 N -4.71 -0.15 -0.21 2.99 0.05 -0.63 -0.88 118.68 115.14 1do9 s LEU 23 Ca 0.54 -0.15 0.01 0.00 0.05 0.00 0.00 54.13 54.58 1do9 s LEU 23 Cb -0.10 1.68 0.03 0.00 -2.05 0.00 0.00 46.19 45.75 1do9 s LEU 23 CO 0.39 -0.49 -0.16 -0.63 -0.55 0.00 0.00 176.35 174.90 1do9 s ILE 24 N -2.75 2.17 -1.42 1.48 -1.09 -0.17 -1.45 121.20 117.95 1do9 s ILE 24 Ca 0.11 -1.14 0.15 0.00 -2.23 0.00 0.00 60.65 57.53 1do9 s ILE 24 Cb 0.01 -2.03 0.34 0.00 -1.58 0.00 0.00 42.46 39.20 1do9 s ILE 24 CO -0.03 0.35 1.25 0.18 -1.23 0.00 0.00 174.94 175.46 1do9 n LEU 25 N 4.57 3.00 0.00 2.97 4.77 -1.24 -0.86 117.00 130.21 1do9 n LEU 25 Ca -0.19 -1.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.06 1do9 n LEU 25 Cb 0.47 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1do9 n LEU 25 CO 0.25 0.71 0.00 0.00 -1.33 0.00 0.00 177.39 177.01 1do9 n HIS 26 N 0.87 0.00 -2.45 -1.77 1.44 -1.26 -4.38 115.22 107.67 1do9 n HIS 26 Ca 0.14 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.73 1do9 n HIS 26 Cb 0.46 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.55 1do9 n HIS 26 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1do9 n HIS 27 N 0.00 -0.96 -4.09 -1.40 8.25 -1.26 -4.88 115.22 110.87 1do9 n HIS 27 Ca 0.00 0.19 -0.08 0.00 -0.26 0.00 0.00 57.72 57.57 1do9 n HIS 27 Cb 0.00 -0.84 -0.10 0.00 1.12 0.00 0.00 29.99 30.17 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 -3.80 0.62 -0.24 -0.41 -0.14 -1.26 -3.43 119.74 111.08 1do9 s LYS 28 Ca 0.23 -1.15 -0.00 0.00 -1.36 0.00 0.00 55.97 53.69 1do9 s LYS 28 Cb -0.14 0.07 0.03 0.00 -1.68 0.00 0.00 37.83 36.12 1do9 s LYS 28 CO 0.29 -0.07 -0.09 0.08 -0.76 0.00 0.00 175.35 174.80 1do9 s VAL 29 N -3.43 2.62 -0.00 3.17 1.01 -0.82 -3.63 120.40 119.32 1do9 s VAL 29 Ca 0.05 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1do9 s VAL 29 Cb 0.04 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1do9 s VAL 29 CO -0.07 0.19 0.06 -0.31 0.00 0.00 0.00 175.10 174.97 1do9 s TYR 30 N 1.27 3.23 -0.34 5.22 2.02 -0.53 -1.49 117.35 126.73 1do9 s TYR 30 Ca -0.01 0.17 -0.04 0.00 -0.37 0.00 0.00 57.07 56.82 1do9 s TYR 30 Cb -0.17 -1.72 0.06 0.00 -0.40 0.00 0.00 41.96 39.73 1do9 s TYR 30 CO -0.06 0.53 0.10 0.34 -1.57 0.00 0.00 175.55 174.89 1do9 s ASP 31 N -1.72 5.18 -0.13 2.29 -1.08 0.12 -1.60 116.67 119.73 1do9 s ASP 31 Ca 0.22 -1.38 0.18 0.00 -0.52 0.00 0.00 52.55 51.05 1do9 s ASP 31 Cb -0.12 -1.82 0.73 0.00 -1.46 0.00 0.00 42.92 40.26 1do9 s ASP 31 CO 0.13 -0.36 1.64 0.18 0.52 0.00 0.00 175.17 177.29 1do9 n LEU 32 N 4.71 4.88 0.18 -1.34 4.77 0.17 -4.61 117.00 125.77 1do9 n LEU 32 Ca -0.11 -2.53 -0.15 0.00 -0.03 0.00 0.00 56.01 53.19 1do9 n LEU 32 Cb 0.43 -0.59 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 1do9 n LEU 32 CO 0.31 0.79 0.62 0.00 -1.33 0.00 0.00 177.39 177.77 1do9 h THR 33 N 4.00 0.23 0.00 -5.08 1.03 -1.88 0.43 112.91 111.64 1do9 h THR 33 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1do9 h THR 33 Cb 1.53 0.23 0.00 0.00 -1.07 0.00 0.00 68.15 68.84 1do9 h THR 33 CO 0.27 0.00 0.00 1.17 -0.01 0.00 0.00 175.52 176.95 1do9 n LYS 34 N -5.46 0.61 0.00 0.00 0.00 -1.26 -2.33 118.16 109.72 1do9 n LYS 34 Ca -0.09 0.01 0.08 0.00 0.00 0.00 0.00 58.31 58.31 1do9 n LYS 34 Cb 0.37 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 33.89 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 -1.18 0.00 0.00 5.64 7.35 -0.67 -4.45 117.46 124.15 1do9 n PHE 35 Ca 0.17 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.86 1do9 n PHE 35 Cb 0.18 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.01 1do9 n PHE 35 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1do9 n LEU 36 N -0.19 0.00 0.05 -2.13 4.77 0.14 0.50 117.00 120.15 1do9 n LEU 36 Ca 0.07 0.77 0.10 0.00 -0.03 0.00 0.00 56.01 56.91 1do9 n LEU 36 Cb 0.34 -0.27 0.40 0.00 -2.33 0.00 0.00 43.42 41.56 1do9 n LEU 36 CO 0.21 -0.27 0.80 -1.84 -1.33 0.00 0.00 177.39 174.96 1do9 n GLU 37 N -1.69 0.08 -0.01 3.23 0.28 -1.26 -2.74 120.64 118.53 1do9 n GLU 37 Ca 0.00 0.29 0.14 0.00 -0.16 0.00 0.00 57.16 57.43 1do9 n GLU 37 Cb 0.00 -1.65 0.53 0.00 1.43 0.00 0.00 31.44 31.75 1do9 n GLU 37 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1do9 n GLU 38 N -1.81 1.63 -3.06 3.44 1.02 -0.58 -4.87 120.64 116.41 1do9 n GLU 38 Ca 0.03 -0.92 -0.41 0.00 -0.02 0.00 0.00 57.16 55.85 1do9 n GLU 38 Cb 0.22 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.11 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 -1.97 3.34 -0.75 -0.32 2.46 0.18 -4.95 115.29 113.28 1do9 s HIS 39 Ca 0.38 0.96 -0.26 0.00 0.47 0.00 0.00 55.06 56.61 1do9 s HIS 39 Cb 0.20 -2.87 -0.03 0.00 -0.13 0.00 0.00 32.58 29.75 1do9 s HIS 39 CO 0.32 -0.26 1.89 -1.25 -2.47 0.00 0.00 174.74 172.97 1do9 s PRO 40 N 2.25 2.61 0.00 2.88 0.04 -1.26 -3.66 135.00 137.86 1do9 s PRO 40 Ca 0.30 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.52 1do9 s PRO 40 Cb -0.16 -4.70 0.00 0.00 0.04 0.00 0.00 34.50 29.69 1do9 s PRO 40 CO 0.10 -3.01 0.00 0.41 0.04 0.00 0.00 177.00 174.53 1do9 n GLY 41 N 6.22 0.94 3.50 0.56 0.00 -1.26 -5.11 105.19 110.04 1do9 n GLY 41 Ca 0.29 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 1do9 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1do9 n GLY 42 N 0.00 1.68 0.00 -0.02 0.00 -1.24 -5.08 105.19 100.53 1do9 n GLY 42 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1do9 n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1do9 n GLU 43 N -0.56 0.04 0.06 1.61 -0.00 -1.26 -4.45 120.64 116.08 1do9 n GLU 43 Ca -0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 57.16 57.08 1do9 n GLU 43 Cb 0.59 -0.55 0.14 0.00 -0.00 0.00 0.00 31.44 31.61 1do9 n GLU 43 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1do9 h GLU 44 N 0.00 0.33 -0.45 3.44 9.09 -1.98 -0.56 114.58 124.46 1do9 h GLU 44 Ca 0.00 -0.19 0.13 0.00 0.05 0.00 0.00 59.36 59.35 1do9 h GLU 44 Cb 0.10 0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.20 1do9 h GLU 44 CO 0.00 0.77 0.39 -0.39 0.05 0.00 0.00 179.01 179.82 1do9 h VAL 45 N 0.26 0.55 0.00 -1.06 -1.51 -2.00 0.12 116.25 112.62 1do9 h VAL 45 Ca 0.01 0.00 -0.14 0.00 -1.23 0.00 0.00 66.70 65.34 1do9 h VAL 45 Cb 0.99 0.71 -0.02 0.00 -2.13 0.00 0.00 31.29 30.84 1do9 h VAL 45 CO 0.08 0.00 -0.66 -0.07 -1.23 0.00 0.00 177.57 175.69 1do9 h LEU 46 N 0.00 0.00 -0.45 4.19 3.38 -1.43 -2.45 115.31 118.54 1do9 h LEU 46 Ca 0.21 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 1do9 h LEU 46 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1do9 h LEU 46 CO -0.00 0.66 -0.37 0.03 0.09 0.00 0.00 178.44 178.85 1do9 h ARG 47 N 0.00 0.00 -0.10 1.13 3.08 -1.03 -1.17 114.38 116.28 1do9 h ARG 47 Ca -0.01 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 1do9 h ARG 47 Cb 1.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 1do9 h ARG 47 CO 0.09 0.37 -0.52 0.93 -1.07 0.00 0.00 179.97 179.76 1do9 h GLU 48 N 0.00 0.29 -0.17 0.04 4.39 -0.83 -3.12 114.58 115.18 1do9 h GLU 48 Ca -0.00 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1do9 h GLU 48 Cb 1.10 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1do9 h GLU 48 CO 0.05 0.74 0.00 1.04 -1.16 0.00 0.00 179.01 179.68 1do9 n GLN 49 N -3.94 1.70 -1.73 2.33 1.13 -1.09 -4.99 117.38 110.78 1do9 n GLN 49 Ca -0.02 -1.70 -0.40 0.00 -1.94 0.00 0.00 57.00 52.94 1do9 n GLN 49 Cb 0.56 -1.33 0.02 0.00 0.11 0.00 0.00 30.24 29.61 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 0.91 1.62 -1.08 -1.58 0.00 -0.45 -1.31 120.51 118.63 1do9 n ALA 50 Ca 0.11 0.22 -0.03 0.00 0.00 0.00 0.00 53.44 53.74 1do9 n ALA 50 Cb 0.43 -2.33 -0.01 0.00 0.00 0.00 0.00 19.45 17.53 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 0.72 0.35 2.95 0.00 0.00 -0.06 -4.84 105.19 104.31 1do9 n GLY 51 Ca 0.07 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 0.17 3.24 3.47 -0.02 0.00 -0.42 -4.38 105.19 107.25 1do9 n GLY 52 Ca -0.03 -2.02 -0.44 0.00 0.00 0.00 0.00 46.02 43.53 1do9 n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1do9 s ASP 53 N -3.19 6.95 0.00 1.61 1.47 -1.26 -1.00 116.67 121.26 1do9 s ASP 53 Ca 0.24 -2.73 0.17 0.00 1.18 0.00 0.00 52.55 51.41 1do9 s ASP 53 Cb 0.01 -2.42 0.82 0.00 -0.34 0.00 0.00 42.92 40.99 1do9 s ASP 53 CO 0.17 -0.86 1.51 0.00 0.68 0.00 0.00 175.17 176.67 1do9 n ALA 54 N 6.16 1.88 -0.25 2.11 0.00 -0.04 -3.92 120.51 126.45 1do9 n ALA 54 Ca 0.35 -0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.68 1do9 n ALA 54 Cb 0.44 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 18.64 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 0.13 -0.53 0.00 2.02 -1.21 0.14 112.91 113.46 1do9 h THR 55 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 1do9 h THR 55 Cb 0.20 0.13 -0.07 0.00 -1.74 0.00 0.00 68.15 66.67 1do9 h THR 55 CO 0.00 0.00 0.15 1.05 0.37 0.00 0.00 175.52 177.09 1do9 h GLU 56 N -0.12 0.30 0.13 6.66 4.11 -1.88 -1.32 114.58 122.46 1do9 h GLU 56 Ca 0.27 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.67 1do9 h GLU 56 Cb 0.56 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1do9 h GLU 56 CO -0.76 0.20 -0.06 -0.91 0.07 0.00 0.00 179.01 177.54 1do9 h ASN 57 N 0.31 -0.14 -0.77 3.06 4.21 -1.08 0.90 115.58 122.06 1do9 h ASN 57 Ca 0.27 -0.02 0.16 0.00 1.21 0.00 0.00 56.30 57.92 1do9 h ASN 57 Cb 0.34 0.04 -0.11 0.00 -1.12 0.00 0.00 38.32 37.47 1do9 h ASN 57 CO -0.31 -0.08 0.26 0.15 -1.29 0.00 0.00 177.43 176.17 1do9 h PHE 58 N -0.20 0.43 0.07 1.19 3.57 -0.44 -1.15 116.94 120.41 1do9 h PHE 58 Ca -0.02 0.04 -0.25 0.00 3.53 0.00 0.00 57.97 61.27 1do9 h PHE 58 Cb 0.15 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1do9 h PHE 58 CO -0.06 -0.02 -1.09 0.93 -2.23 0.00 0.00 178.31 175.84 1do9 h GLU 59 N 0.36 0.34 -0.11 1.11 4.39 -0.92 -3.05 114.58 116.70 1do9 h GLU 59 Ca 0.44 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1do9 h GLU 59 Cb 0.74 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1do9 h GLU 59 CO -0.48 1.16 0.05 0.22 -1.16 0.00 0.00 179.01 178.80 1do9 h ASP 60 N 0.15 0.16 -0.03 1.42 1.82 -0.27 -1.74 116.42 117.92 1do9 h ASP 60 Ca -0.11 -0.15 -0.07 0.00 -0.39 0.00 0.00 57.03 56.31 1do9 h ASP 60 Cb 1.77 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 41.72 1do9 h ASP 60 CO 0.18 0.27 -0.17 -0.37 -1.61 0.00 0.00 179.24 177.54 1do9 h VAL 61 N 0.04 1.22 -2.17 2.25 -1.51 -1.35 -3.47 116.25 111.26 1do9 h VAL 61 Ca 0.04 -1.01 0.00 0.00 -1.23 0.00 0.00 66.70 64.50 1do9 h VAL 61 Cb 0.16 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 1do9 h VAL 61 CO -0.00 0.32 0.00 0.61 -1.23 0.00 0.00 177.57 177.27 1do9 n GLY 62 N -0.65 0.55 3.44 5.19 0.00 -0.66 -4.98 105.19 108.09 1do9 n GLY 62 Ca -0.00 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.08 -1.07 -1.46 1.61 8.25 -1.21 -5.00 115.22 115.26 1do9 n HIS 63 Ca 0.00 0.30 -0.30 0.00 -0.26 0.00 0.00 57.72 57.46 1do9 n HIS 63 Cb 0.49 -1.86 0.10 0.00 1.12 0.00 0.00 29.99 29.84 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 -1.71 4.18 0.15 0.41 1.04 -1.26 -4.94 113.70 111.57 1do9 s SER 64 Ca 0.62 1.34 -0.08 0.00 0.48 0.00 0.00 55.95 58.31 1do9 s SER 64 Cb -0.29 -2.06 -0.01 0.00 0.10 0.00 0.00 66.02 63.76 1do9 s SER 64 CO 0.62 -2.17 1.43 0.74 0.98 0.00 0.00 173.24 174.84 1do9 h THR 65 N -1.23 1.30 -0.41 2.02 2.02 -1.99 -2.60 112.91 112.02 1do9 h THR 65 Ca -0.48 -1.82 0.03 0.00 0.77 0.00 0.00 66.41 64.92 1do9 h THR 65 Cb 1.27 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 69.43 1do9 h THR 65 CO 0.58 0.58 0.27 -0.78 0.37 0.00 0.00 175.52 176.54 1do9 h ASP 66 N 0.54 0.36 -0.42 4.18 3.58 -2.00 0.26 116.42 122.92 1do9 h ASP 66 Ca -0.00 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 1do9 h ASP 66 Cb 1.18 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 1do9 h ASP 66 CO 0.12 0.25 -0.01 0.00 -2.88 0.00 0.00 179.24 176.72 1do9 h ALA 67 N 1.77 0.57 0.00 -0.78 0.00 -1.88 -0.93 119.26 118.00 1do9 h ALA 67 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1do9 h ALA 67 Cb 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1do9 h ALA 67 CO -0.04 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1do9 h ARG 68 N 0.58 0.00 0.10 0.00 3.08 -0.60 -2.65 114.38 114.89 1do9 h ARG 68 Ca 0.12 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.00 1do9 h ARG 68 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.56 1do9 h ARG 68 CO 0.02 0.00 -0.82 0.93 -1.07 0.00 0.00 179.97 179.03 1do9 h GLU 69 N 0.00 0.20 -0.19 0.04 4.39 -0.41 -3.23 114.58 115.40 1do9 h GLU 69 Ca 0.00 -0.35 0.05 0.00 0.34 0.00 0.00 59.36 59.41 1do9 h GLU 69 Cb 0.15 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1do9 h GLU 69 CO 0.00 1.17 0.15 -0.07 -1.16 0.00 0.00 179.01 179.09 1do9 h LEU 70 N -0.53 0.00 -1.67 1.33 3.38 -1.33 -0.03 115.31 116.47 1do9 h LEU 70 Ca -0.17 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.02 1do9 h LEU 70 Cb 1.51 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.21 1do9 h LEU 70 CO 0.07 0.00 0.59 0.77 0.09 0.00 0.00 178.44 179.96 1do9 h SER 71 N 0.00 0.28 -0.83 -0.43 4.64 -1.48 -0.78 113.55 114.94 1do9 h SER 71 Ca 0.09 0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.46 1do9 h SER 71 Cb 0.38 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 62.40 1do9 h SER 71 CO -0.00 0.11 0.55 0.50 -0.87 0.00 0.00 176.83 177.12 1do9 h LYS 72 N 0.27 1.03 -0.01 4.77 1.63 -1.11 -0.38 116.57 122.78 1do9 h LYS 72 Ca 0.44 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.18 1do9 h LYS 72 Cb 1.29 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.68 1do9 h LYS 72 CO -0.12 0.68 -0.09 -2.37 -3.45 0.00 0.00 179.45 174.10 1do9 n THR 73 N -4.43 0.00 -0.07 1.00 5.66 -0.32 -3.94 114.28 112.18 1do9 n THR 73 Ca 0.10 -0.14 -0.05 0.00 -3.05 0.00 0.00 64.05 60.92 1do9 n THR 73 Cb 0.08 0.21 -0.15 0.00 -1.55 0.00 0.00 70.33 68.92 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 -0.46 0.00 -1.72 1.09 3.72 -0.28 -4.93 117.46 114.88 1do9 n PHE 74 Ca 0.17 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.14 1do9 n PHE 74 Cb 0.31 -0.80 -0.02 0.00 -0.94 0.00 0.00 39.48 38.02 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 -2.56 0.48 -0.00 4.37 3.06 -0.47 -0.70 119.36 123.53 1do9 n ILE 75 Ca -0.24 -0.12 0.00 0.00 -2.50 0.00 0.00 62.75 59.89 1do9 n ILE 75 Cb 0.96 -1.92 0.00 0.00 0.54 0.00 0.00 39.64 39.22 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 3.06 0.00 -3.86 9.51 -6.64 -0.56 -4.87 119.36 116.01 1do9 n ILE 76 Ca 0.13 -0.49 0.01 0.00 -1.77 0.00 0.00 62.75 60.62 1do9 n ILE 76 Cb 0.35 1.00 0.01 0.00 -1.44 0.00 0.00 39.64 39.56 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 0.81 0.57 3.20 3.28 0.00 -1.17 -2.77 105.19 109.11 1do9 n GLY 77 Ca 0.00 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.01 0.91 0.26 1.61 2.12 -1.26 -1.94 118.70 118.38 1do9 s GLU 78 Ca 0.12 -1.29 -0.30 0.00 0.36 0.00 0.00 54.97 53.86 1do9 s GLU 78 Cb -0.01 -0.47 -0.14 0.00 0.26 0.00 0.00 34.13 33.77 1do9 s GLU 78 CO 0.00 0.05 1.16 1.28 -0.54 0.00 0.00 175.26 177.22 1do9 n LEU 79 N 0.18 2.22 -4.33 2.70 4.32 -1.22 -1.40 117.00 119.47 1do9 n LEU 79 Ca -0.13 1.17 -0.34 0.00 -0.02 0.00 0.00 56.01 56.68 1do9 n LEU 79 Cb 0.59 -1.33 0.09 0.00 -1.62 0.00 0.00 43.42 41.16 1do9 n LEU 79 CO 0.29 -1.07 -0.34 1.41 -1.22 0.00 0.00 177.39 176.45 1do9 n HIS 80 N 0.87 -2.18 0.29 -1.77 8.25 -0.51 -4.76 115.22 115.40 1do9 n HIS 80 Ca 0.11 0.21 0.18 0.00 -0.26 0.00 0.00 57.72 57.96 1do9 n HIS 80 Cb 0.31 -1.73 0.78 0.00 1.12 0.00 0.00 29.99 30.46 1do9 n HIS 80 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1do9 h PRO 81 N -1.13 0.00 -0.01 -0.41 0.13 -1.91 -0.96 132.00 127.70 1do9 h PRO 81 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1do9 h PRO 81 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1do9 h PRO 81 CO 0.34 0.00 -0.07 -0.25 -0.23 0.00 0.00 178.00 177.79 1do9 n ASP 82 N -3.09 1.50 -0.03 1.44 8.00 -1.26 -4.19 116.55 118.93 1do9 n ASP 82 Ca 0.00 -1.39 -0.21 0.00 0.71 0.00 0.00 54.79 53.90 1do9 n ASP 82 Cb 0.27 0.04 -0.13 0.00 -0.02 0.00 0.00 41.12 41.28 1do9 n ASP 82 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1do9 n ASP 83 N 0.05 2.08 0.07 -2.24 8.00 -0.37 -2.99 116.55 121.16 1do9 n ASP 83 Ca 0.17 0.19 0.05 0.00 0.71 0.00 0.00 54.79 55.91 1do9 n ASP 83 Cb 0.37 -0.82 0.47 0.00 -0.02 0.00 0.00 41.12 41.12 1do9 n ASP 83 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1do9 h ARG 84 N -0.08 0.40 0.00 -1.24 9.65 -1.72 0.13 114.38 121.53 1do9 h ARG 84 Ca -0.44 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1do9 h ARG 84 Cb 1.93 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 30.42 1do9 h ARG 84 CO 0.02 0.27 -0.64 0.43 2.80 0.00 0.00 179.97 182.86 1do9 n SER 85 N -4.48 0.62 -0.02 -3.80 7.64 -1.26 -4.24 113.62 108.08 1do9 n SER 85 Ca 0.01 -0.01 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1do9 n SER 85 Cb 0.08 0.26 -0.11 0.00 -1.01 0.00 0.00 64.21 63.42 1do9 n SER 85 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1do9 h LYS 86 N 0.00 0.22 -7.27 1.43 3.64 -0.88 -3.45 116.57 110.26 1do9 h LYS 86 Ca 0.00 -0.22 -0.52 0.00 -1.27 0.00 0.00 60.65 58.64 1do9 h LYS 86 Cb 0.68 0.06 0.16 0.00 -0.41 0.00 0.00 32.23 32.72 1do9 h LYS 86 CO 0.00 0.92 0.29 -0.51 -2.27 0.00 0.00 179.45 177.88 1do9 s LEU 87 N -8.54 3.01 -1.21 5.20 1.43 -0.91 -3.85 118.68 113.80 1do9 s LEU 87 Ca -0.15 2.09 -0.03 0.00 -1.03 0.00 0.00 54.13 55.01 1do9 s LEU 87 Cb 0.02 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.67 1do9 s LEU 87 CO 0.75 -2.55 0.85 -0.24 0.23 0.00 0.00 176.35 175.38 1do9 n SER 88 N -3.67 -2.70 -3.36 2.29 2.88 -1.26 -5.00 113.62 102.79 1do9 n SER 88 Ca 0.11 -0.75 -0.15 0.00 -1.33 0.00 0.00 58.87 56.75 1do9 n SER 88 Cb 0.52 -4.56 -0.08 0.00 -0.75 0.00 0.00 64.21 59.34 1do9 n SER 88 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1do9 s LYS 89 N -5.50 0.50 0.26 -1.46 1.02 -1.25 -5.13 119.74 108.17 1do9 s LYS 89 Ca 0.11 -0.45 -0.30 0.00 0.02 0.00 0.00 55.97 55.36 1do9 s LYS 89 Cb -0.02 -0.61 -0.09 0.00 -0.52 0.00 0.00 37.83 36.58 1do9 s LYS 89 CO 0.78 -1.12 1.26 -1.25 -0.92 0.00 0.00 175.35 174.10 1do9 s PRO 90 N 1.93 4.44 0.24 -1.68 0.04 -1.26 -5.02 135.00 133.68 1do9 s PRO 90 Ca 0.13 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.02 1do9 s PRO 90 Cb -0.14 -3.16 0.03 0.00 0.04 0.00 0.00 34.50 31.27 1do9 s PRO 90 CO -0.18 -0.13 0.63 1.41 0.04 0.00 0.00 177.00 178.78 1do9 s MET 91 N -0.92 1.60 -0.19 4.56 1.75 -1.26 -5.17 119.30 119.68 1do9 s MET 91 Ca 0.51 -0.91 -0.10 0.00 -1.25 0.00 0.00 55.69 53.94 1do9 s MET 91 Cb -0.36 0.57 0.06 0.00 2.84 0.00 0.00 34.83 37.94 1do9 s MET 91 CO 0.43 -0.71 0.46 -2.00 -0.65 0.00 0.00 175.02 172.55 1do9 s GLU 92 N -3.89 0.45 -0.02 4.11 2.12 -1.26 -5.16 118.70 115.05 1do9 s GLU 92 Ca 0.10 0.86 -0.04 0.00 0.36 0.00 0.00 54.97 56.25 1do9 s GLU 92 Cb -0.04 0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.36 1do9 s GLU 92 CO 0.02 -0.16 0.10 0.99 -0.54 0.00 0.00 175.26 175.67 1do9 s THR 93 N 1.44 0.05 -2.00 -1.70 2.01 -1.26 -5.36 115.64 108.82 1do9 s THR 93 Ca -0.10 -0.40 0.08 0.00 0.31 0.00 0.00 61.69 61.59 1do9 s THR 93 Cb -0.08 -0.28 0.23 0.00 0.01 0.00 0.00 72.50 72.39 1do9 s THR 93 CO -0.14 -0.22 0.94 0.00 -0.69 0.00 0.00 174.62 174.51