#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 0.38 -1.35 -1.24 4.76 -1.26 -5.05 118.16 114.39 1do9 n LYS 2 Ca 0.00 -0.77 0.00 0.00 -2.87 0.00 0.00 58.31 54.67 1do9 n LYS 2 Cb 0.00 0.99 0.00 0.00 -1.84 0.00 0.00 35.03 34.18 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 -1.07 0.75 -4.25 4.39 -0.08 -1.26 -5.06 116.55 109.97 1do9 n ASP 3 Ca -0.02 -0.68 -0.41 0.00 -1.51 0.00 0.00 54.79 52.16 1do9 n ASP 3 Cb 0.24 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.67 1do9 n ASP 3 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1do9 n VAL 4 N 0.00 3.98 -2.54 5.18 0.31 -1.26 -3.40 118.33 120.60 1do9 n VAL 4 Ca 0.00 -5.29 -0.41 0.00 -0.01 0.00 0.00 64.34 58.64 1do9 n VAL 4 Cb 0.00 -2.51 -0.03 0.00 -0.91 0.00 0.00 33.84 30.39 1do9 n VAL 4 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1do9 s LYS 5 N -1.34 3.35 -0.80 5.55 1.02 -1.26 -4.65 119.74 121.60 1do9 s LYS 5 Ca 0.30 -0.61 -0.26 0.00 0.02 0.00 0.00 55.97 55.42 1do9 s LYS 5 Cb -0.09 -4.71 -0.18 0.00 -0.52 0.00 0.00 37.83 32.34 1do9 s LYS 5 CO -0.10 -2.20 2.50 0.66 -0.92 0.00 0.00 175.35 175.30 1do9 n TYR 6 N 9.27 0.85 -4.15 3.18 4.01 -1.24 -2.94 117.16 126.14 1do9 n TYR 6 Ca 0.17 0.20 -0.31 0.00 -0.16 0.00 0.00 57.90 57.80 1do9 n TYR 6 Cb 0.50 -2.25 -0.08 0.00 -0.31 0.00 0.00 39.34 37.20 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 9.58 3.10 0.35 -0.72 2.02 -0.59 -4.73 117.35 126.37 1do9 s TYR 7 Ca 1.18 0.06 -0.07 0.00 -0.37 0.00 0.00 57.07 57.88 1do9 s TYR 7 Cb -0.72 -1.62 -0.05 0.00 -0.40 0.00 0.00 41.96 39.16 1do9 s TYR 7 CO 0.38 0.49 0.65 0.95 -1.57 0.00 0.00 175.55 176.45 1do9 s THR 8 N -1.25 4.94 0.32 -0.71 -4.23 -1.26 -0.69 115.64 112.76 1do9 s THR 8 Ca 0.24 0.23 0.07 0.00 -1.18 0.00 0.00 61.69 61.05 1do9 s THR 8 Cb -0.12 -3.75 0.31 0.00 1.34 0.00 0.00 72.50 70.28 1do9 s THR 8 CO 0.16 -0.46 1.80 -0.07 -0.54 0.00 0.00 174.62 175.51 1do9 h LEU 9 N 1.33 0.76 -1.08 4.79 -0.00 -1.99 0.51 115.31 119.63 1do9 h LEU 9 Ca -0.48 0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.48 1do9 h LEU 9 Cb 1.19 -0.06 -0.04 0.00 -0.00 0.00 0.00 40.66 41.76 1do9 h LEU 9 CO 0.65 0.29 0.51 -0.08 -0.00 0.00 0.00 178.44 179.81 1do9 h GLU 10 N 0.75 1.14 -0.06 1.13 4.57 -1.97 0.57 114.58 120.71 1do9 h GLU 10 Ca 0.55 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.62 1do9 h GLU 10 Cb 0.88 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1do9 h GLU 10 CO -0.34 0.80 -0.01 1.49 -1.18 0.00 0.00 179.01 179.77 1do9 h GLU 11 N 1.16 0.12 0.00 1.92 4.57 -1.31 -3.12 114.58 117.92 1do9 h GLU 11 Ca 0.30 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.39 1do9 h GLU 11 Cb -0.05 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1do9 h GLU 11 CO -0.06 0.44 -0.21 0.82 -1.18 0.00 0.00 179.01 178.82 1do9 h ILE 12 N -0.21 0.67 0.00 2.32 2.04 -0.96 -0.33 117.51 121.05 1do9 h ILE 12 Ca 0.02 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1do9 h ILE 12 Cb 0.39 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1do9 h ILE 12 CO 0.01 0.21 0.00 0.29 0.00 0.00 0.00 178.15 178.65 1do9 n LYS 13 N -3.59 0.30 -1.20 2.37 5.02 0.16 -2.32 118.16 118.90 1do9 n LYS 13 Ca -0.01 0.10 -0.20 0.00 -2.02 0.00 0.00 58.31 56.18 1do9 n LYS 13 Cb 0.35 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 34.01 1do9 n LYS 13 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1do9 n LYS 14 N -1.20 2.34 -2.64 1.97 5.02 -0.13 -4.41 118.16 119.10 1do9 n LYS 14 Ca 0.09 -3.24 -0.06 0.00 -2.02 0.00 0.00 58.31 53.08 1do9 n LYS 14 Cb 0.10 -2.10 0.04 0.00 -0.02 0.00 0.00 35.03 33.05 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 -1.05 1.62 -2.38 2.13 8.25 -0.98 -4.85 115.22 117.95 1do9 n HIS 15 Ca 0.51 -2.17 -0.30 0.00 -0.26 0.00 0.00 57.72 55.50 1do9 n HIS 15 Cb 1.19 -0.26 0.01 0.00 1.12 0.00 0.00 29.99 32.05 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 -0.62 5.35 -3.90 0.41 2.04 -1.24 -2.84 115.26 114.46 1do9 n ASN 16 Ca 0.16 -3.74 -0.14 0.00 -0.44 0.00 0.00 54.58 50.42 1do9 n ASN 16 Cb 0.84 -0.61 -0.09 0.00 -2.53 0.00 0.00 39.78 37.40 1do9 n ASN 16 CO 0.00 0.00 0.00 -1.38 -0.44 0.00 0.00 177.26 175.44 1do9 s HIS 17 N -3.66 1.22 -0.01 -2.53 -3.43 -1.15 -5.03 115.29 100.69 1do9 s HIS 17 Ca 0.49 -1.38 0.00 0.00 -0.80 0.00 0.00 55.06 53.37 1do9 s HIS 17 Cb 0.40 -0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.07 1do9 s HIS 17 CO -0.24 -0.77 0.83 0.45 -2.00 0.00 0.00 174.74 173.02 1do9 n SER 18 N -0.68 2.49 -1.03 7.38 2.88 -1.26 -3.13 113.62 120.27 1do9 n SER 18 Ca 0.03 -1.68 -0.03 0.00 -1.33 0.00 0.00 58.87 55.86 1do9 n SER 18 Cb 0.64 -0.42 -0.04 0.00 -0.75 0.00 0.00 64.21 63.65 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 0.57 0.00 0.00 -1.46 0.00 -1.26 -5.08 118.16 110.93 1do9 n LYS 19 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 58.31 57.19 1do9 n LYS 19 Cb 0.42 0.26 0.00 0.00 0.00 0.00 0.00 35.03 35.71 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 0.12 0.00 -3.78 3.14 7.64 -1.19 -5.11 113.62 114.45 1do9 n SER 20 Ca -0.15 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.44 1do9 n SER 20 Cb 0.78 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.83 1do9 n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1do9 s THR 21 N 0.00 0.99 0.53 0.44 2.01 -1.25 -2.94 115.64 115.42 1do9 s THR 21 Ca 0.00 -1.32 0.05 0.00 0.31 0.00 0.00 61.69 60.74 1do9 s THR 21 Cb 0.00 -1.66 0.03 0.00 0.01 0.00 0.00 72.50 70.88 1do9 s THR 21 CO 0.00 -0.54 0.37 0.26 -0.69 0.00 0.00 174.62 174.02 1do9 s TRP 22 N 1.58 1.77 0.15 4.92 0.52 -1.13 -1.08 118.94 125.67 1do9 s TRP 22 Ca 0.07 -0.81 -0.24 0.00 0.02 0.00 0.00 56.10 55.14 1do9 s TRP 22 Cb -0.18 -1.92 0.08 0.00 -1.15 0.00 0.00 33.47 30.31 1do9 s TRP 22 CO -0.19 -0.37 1.08 -0.48 0.02 0.00 0.00 176.95 177.00 1do9 s LEU 23 N -4.23 -0.01 -0.38 2.99 0.05 -0.97 -0.93 118.68 115.20 1do9 s LEU 23 Ca 0.34 -0.57 0.02 0.00 0.05 0.00 0.00 54.13 53.97 1do9 s LEU 23 Cb -0.02 1.95 0.11 0.00 -2.05 0.00 0.00 46.19 46.18 1do9 s LEU 23 CO 0.21 -0.86 0.12 -0.63 -0.55 0.00 0.00 176.35 174.64 1do9 s ILE 24 N -2.22 2.64 -0.41 1.48 1.01 0.03 -1.99 121.20 121.73 1do9 s ILE 24 Ca 0.22 -2.37 -0.10 0.00 0.00 0.00 0.00 60.65 58.40 1do9 s ILE 24 Cb -0.02 -2.88 0.07 0.00 0.01 0.00 0.00 42.46 39.63 1do9 s ILE 24 CO 0.04 -0.65 0.25 -0.76 0.00 0.00 0.00 174.94 173.82 1do9 s LEU 25 N 0.83 5.08 -0.54 2.97 1.43 -1.11 -2.47 118.68 124.87 1do9 s LEU 25 Ca 0.11 -1.38 -0.12 0.00 -1.03 0.00 0.00 54.13 51.71 1do9 s LEU 25 Cb -0.21 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.02 1do9 s LEU 25 CO -0.06 -0.51 0.64 1.41 0.23 0.00 0.00 176.35 178.06 1do9 n HIS 26 N 4.95 -3.23 -3.68 0.29 8.25 -1.26 -3.67 115.22 116.86 1do9 n HIS 26 Ca -0.11 1.28 -0.23 0.00 -0.26 0.00 0.00 57.72 58.41 1do9 n HIS 26 Cb 0.44 -3.89 -0.06 0.00 1.12 0.00 0.00 29.99 27.60 1do9 n HIS 26 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1do9 n HIS 27 N -0.83 -0.83 -3.83 4.41 1.44 -1.26 -4.88 115.22 109.43 1do9 n HIS 27 Ca 0.05 0.43 -0.10 0.00 -2.01 0.00 0.00 57.72 56.09 1do9 n HIS 27 Cb 0.50 -1.72 -0.06 0.00 0.12 0.00 0.00 29.99 28.83 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 -5.76 1.09 -0.20 -1.40 1.02 -1.24 -4.26 119.74 108.99 1do9 s LYS 28 Ca 0.16 -0.97 0.01 0.00 0.02 0.00 0.00 55.97 55.19 1do9 s LYS 28 Cb -0.09 0.41 0.03 0.00 -0.52 0.00 0.00 37.83 37.66 1do9 s LYS 28 CO 0.68 -0.41 -0.17 0.08 -0.92 0.00 0.00 175.35 174.61 1do9 s VAL 29 N -3.89 2.17 0.27 3.17 1.01 -0.71 -2.74 120.40 119.68 1do9 s VAL 29 Ca 0.10 -1.06 0.09 0.00 0.00 0.00 0.00 61.98 61.11 1do9 s VAL 29 Cb 0.03 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1do9 s VAL 29 CO -0.06 0.41 0.04 -0.31 0.00 0.00 0.00 175.10 175.18 1do9 s TYR 30 N 1.26 2.75 -0.18 5.22 1.51 -0.84 -1.16 117.35 125.91 1do9 s TYR 30 Ca 0.02 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 1do9 s TYR 30 Cb -0.15 -1.27 0.03 0.00 -0.11 0.00 0.00 41.96 40.47 1do9 s TYR 30 CO -0.11 0.58 -0.14 0.34 -1.11 0.00 0.00 175.55 175.11 1do9 s ASP 31 N -3.72 3.11 -0.02 2.29 -1.08 -0.05 -2.29 116.67 114.91 1do9 s ASP 31 Ca 0.32 -0.70 0.07 0.00 -0.52 0.00 0.00 52.55 51.73 1do9 s ASP 31 Cb -0.06 -1.30 0.20 0.00 -1.46 0.00 0.00 42.92 40.30 1do9 s ASP 31 CO 0.21 -0.07 1.16 0.18 0.52 0.00 0.00 175.17 177.17 1do9 n LEU 32 N 4.69 2.61 -0.19 -1.34 4.77 -0.24 -4.67 117.00 122.62 1do9 n LEU 32 Ca -0.17 -2.13 -0.00 0.00 -0.03 0.00 0.00 56.01 53.67 1do9 n LEU 32 Cb 0.49 -0.18 0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1do9 n LEU 32 CO 0.22 0.64 0.95 0.00 -1.33 0.00 0.00 177.39 177.87 1do9 h THR 33 N 1.12 0.73 -0.03 -5.08 1.03 -1.84 0.42 112.91 109.26 1do9 h THR 33 Ca 0.00 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 66.29 1do9 h THR 33 Cb 0.71 0.36 0.00 0.00 -1.07 0.00 0.00 68.15 68.15 1do9 h THR 33 CO 0.02 0.06 0.00 1.17 -0.01 0.00 0.00 175.52 176.76 1do9 n LYS 34 N -5.05 1.17 0.00 0.00 0.00 -1.26 -3.40 118.16 109.62 1do9 n LYS 34 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 58.31 58.14 1do9 n LYS 34 Cb 0.28 -1.37 0.00 0.00 0.00 0.00 0.00 35.03 33.94 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 -0.58 0.00 0.15 5.64 7.35 -0.04 -4.68 117.46 125.30 1do9 n PHE 35 Ca 0.17 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.69 1do9 n PHE 35 Cb 0.14 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.87 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 -1.56 -1.05 -2.13 3.38 -0.27 0.34 115.31 114.02 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 0.00 0.56 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1do9 h LEU 36 CO 0.00 -0.59 0.00 -0.62 0.09 0.00 0.00 178.44 177.32 1do9 n GLU 37 N -5.51 0.88 0.00 1.13 1.02 -1.26 -3.21 120.64 113.69 1do9 n GLU 37 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1do9 n GLU 37 Cb 0.43 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 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 0.08 3.54 -1.95 3.49 2.13 -0.41 -5.06 120.64 122.45 1do9 n GLU 38 Ca 0.00 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.39 1do9 n GLU 38 Cb 0.23 -0.55 -0.03 0.00 0.27 0.00 0.00 31.44 31.36 1do9 n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1do9 s HIS 39 N -0.62 1.81 -1.23 4.31 2.46 0.11 -4.86 115.29 117.26 1do9 s HIS 39 Ca 0.00 0.34 -0.19 0.00 0.47 0.00 0.00 55.06 55.68 1do9 s HIS 39 Cb 0.00 -4.01 -0.01 0.00 -0.13 0.00 0.00 32.58 28.43 1do9 s HIS 39 CO 0.00 -3.65 1.92 -0.35 -2.47 0.00 0.00 174.74 170.18 1do9 n PRO 40 N 7.76 2.50 0.00 2.88 -0.04 -1.26 -3.24 135.00 143.60 1do9 n PRO 40 Ca 0.21 -2.74 0.00 0.00 -0.04 0.00 0.00 63.50 60.92 1do9 n PRO 40 Cb 0.44 -3.43 0.00 0.00 -0.04 0.00 0.00 33.50 30.47 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 5.10 -0.87 0.00 0.55 0.00 -1.26 -5.15 105.19 103.55 1do9 n GLY 41 Ca 0.49 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 3.01 1.67 -0.02 0.00 -1.20 -5.09 105.19 103.57 1do9 n GLY 42 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 0.00 0.21 1.61 0.28 -1.26 -4.24 120.64 117.24 1do9 n GLU 43 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 1do9 n GLU 43 Cb 0.00 -0.06 0.46 0.00 1.43 0.00 0.00 31.44 33.27 1do9 n GLU 43 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1do9 h GLU 44 N 0.00 0.00 -0.98 3.44 4.81 -1.98 0.32 114.58 120.19 1do9 h GLU 44 Ca 0.00 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1do9 h GLU 44 Cb 0.00 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.30 1do9 h GLU 44 CO 0.00 0.25 0.61 -0.39 -0.73 0.00 0.00 179.01 178.75 1do9 h VAL 45 N 0.00 0.91 0.00 0.32 -1.51 -1.99 0.33 116.25 114.30 1do9 h VAL 45 Ca -0.00 -0.33 -0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1do9 h VAL 45 Cb 0.44 -0.14 -0.00 0.00 -2.13 0.00 0.00 31.29 29.46 1do9 h VAL 45 CO 0.03 0.17 -0.01 -0.07 -1.23 0.00 0.00 177.57 176.47 1do9 h LEU 46 N 0.96 0.00 0.00 4.19 3.38 -0.70 -3.12 115.31 120.03 1do9 h LEU 46 Ca 0.49 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.29 1do9 h LEU 46 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1do9 h LEU 46 CO -0.27 0.01 -1.29 -0.09 0.09 0.00 0.00 178.44 176.89 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 2.43 -0.56 -3.11 114.38 114.26 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 0.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1do9 h ARG 47 CO 0.00 0.36 0.00 0.93 -1.51 0.00 0.00 179.97 179.75 1do9 h GLU 48 N 0.00 0.00 0.00 0.20 4.39 -0.43 -2.11 114.58 116.63 1do9 h GLU 48 Ca -0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1do9 h GLU 48 Cb 1.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.25 1do9 h GLU 48 CO 0.05 0.00 -0.00 1.04 -1.16 0.00 0.00 179.01 178.94 1do9 n GLN 49 N -2.42 2.51 -1.73 2.33 1.13 -1.25 -5.02 117.38 112.94 1do9 n GLN 49 Ca 0.02 -1.68 -0.42 0.00 -1.94 0.00 0.00 57.00 52.98 1do9 n GLN 49 Cb 0.29 -1.08 -0.01 0.00 0.11 0.00 0.00 30.24 29.55 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 -0.67 1.84 -1.43 -1.58 0.00 -0.80 -1.07 120.51 116.80 1do9 n ALA 50 Ca 0.03 0.36 -0.15 0.00 0.00 0.00 0.00 53.44 53.68 1do9 n ALA 50 Cb 0.34 -2.34 -0.07 0.00 0.00 0.00 0.00 19.45 17.38 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 0.98 1.46 3.33 0.00 0.00 -0.10 -4.79 105.19 106.07 1do9 n GLY 51 Ca 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.48 2.18 -0.82 -0.02 0.00 -0.23 -4.32 107.32 101.63 1do9 s GLY 52 Ca 0.00 -1.97 -0.23 0.00 0.00 0.00 0.00 44.72 42.52 1do9 s GLY 52 CO 0.00 -1.37 1.18 0.51 0.00 0.00 0.00 173.10 173.41 1do9 s ASP 53 N -3.35 6.35 0.00 1.64 -4.77 -1.26 -0.79 116.67 114.49 1do9 s ASP 53 Ca 0.39 -1.22 0.22 0.00 -3.30 0.00 0.00 52.55 48.64 1do9 s ASP 53 Cb 0.02 -2.48 0.52 0.00 -1.09 0.00 0.00 42.92 39.88 1do9 s ASP 53 CO 0.27 -1.46 1.44 0.00 0.70 0.00 0.00 175.17 176.12 1do9 n ALA 54 N 8.06 2.44 -0.33 2.11 0.00 -1.03 -4.36 120.51 127.41 1do9 n ALA 54 Ca 0.12 -0.88 0.06 0.00 0.00 0.00 0.00 53.44 52.74 1do9 n ALA 54 Cb 0.48 -0.94 0.25 0.00 0.00 0.00 0.00 19.45 19.25 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 3.79 0.99 0.00 0.00 2.02 -1.87 0.99 112.91 118.83 1do9 h THR 55 Ca 0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1do9 h THR 55 Cb 0.84 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1do9 h THR 55 CO 0.00 0.18 0.00 -0.62 0.37 0.00 0.00 175.52 175.45 1do9 n GLU 56 N -4.54 1.00 0.04 6.66 1.02 -1.26 -2.53 120.64 121.02 1do9 n GLU 56 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1do9 n GLU 56 Cb 0.29 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 1do9 n GLU 56 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1do9 n ASN 57 N 0.40 0.17 -0.33 1.62 3.02 0.27 -4.42 115.26 115.99 1do9 n ASN 57 Ca 0.00 0.12 0.18 0.00 -0.03 0.00 0.00 54.58 54.86 1do9 n ASN 57 Cb 0.45 0.02 0.39 0.00 -0.61 0.00 0.00 39.78 40.03 1do9 n ASN 57 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1do9 h PHE 58 N 0.00 0.87 0.02 3.10 3.57 -1.45 -1.78 116.94 121.27 1do9 h PHE 58 Ca 0.00 0.04 -0.30 0.00 3.53 0.00 0.00 57.97 61.24 1do9 h PHE 58 Cb 0.00 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.46 1do9 h PHE 58 CO 0.00 -0.05 -1.73 0.39 -2.23 0.00 0.00 178.31 174.69 1do9 n GLU 59 N -4.99 0.65 -0.03 1.11 -0.58 -1.05 -2.83 120.64 112.91 1do9 n GLU 59 Ca 0.27 0.30 -0.09 0.00 -0.42 0.00 0.00 57.16 57.22 1do9 n GLU 59 Cb 0.79 -1.79 -0.03 0.00 -0.57 0.00 0.00 31.44 29.84 1do9 n GLU 59 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1do9 h ASP 60 N 0.01 -0.17 1.00 1.62 5.19 -1.51 -1.32 116.42 121.24 1do9 h ASP 60 Ca -0.30 0.05 -0.15 0.00 -0.62 0.00 0.00 57.03 56.02 1do9 h ASP 60 Cb 2.01 0.11 -0.02 0.00 0.18 0.00 0.00 39.33 41.61 1do9 h ASP 60 CO 0.08 -0.06 -0.71 -0.37 -3.12 0.00 0.00 179.24 175.06 1do9 h VAL 61 N -0.01 1.34 -3.33 -1.35 -1.51 -1.56 -3.49 116.25 106.34 1do9 h VAL 61 Ca 0.08 -2.58 -0.02 0.00 -1.23 0.00 0.00 66.70 62.96 1do9 h VAL 61 Cb 0.13 2.46 0.02 0.00 -2.13 0.00 0.00 31.29 31.77 1do9 h VAL 61 CO -0.18 0.69 -0.06 0.61 -1.23 0.00 0.00 177.57 177.40 1do9 n GLY 62 N 0.90 0.15 0.00 5.19 0.00 -0.50 -4.98 105.19 105.95 1do9 n GLY 62 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.45 0.00 0.00 1.61 8.25 -1.13 -5.00 115.22 117.50 1do9 n HIS 63 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1do9 n HIS 63 Cb 0.51 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.54 1do9 n HIS 63 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1do9 n SER 64 N -1.17 0.00 -0.03 0.41 7.64 -1.26 -4.98 113.62 114.23 1do9 n SER 64 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1do9 n SER 64 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1do9 n SER 64 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1do9 h THR 65 N 0.68 1.49 -0.36 0.44 2.02 -1.99 -1.79 112.91 113.40 1do9 h THR 65 Ca 0.00 -1.59 0.06 0.00 0.77 0.00 0.00 66.41 65.65 1do9 h THR 65 Cb 0.00 2.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 1do9 h THR 65 CO 0.00 0.43 0.25 0.44 0.37 0.00 0.00 175.52 177.01 1do9 h ASP 66 N -0.49 0.19 -0.24 4.18 3.32 -1.99 0.41 116.42 121.80 1do9 h ASP 66 Ca -0.01 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1do9 h ASP 66 Cb 0.75 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 1do9 h ASP 66 CO 0.02 0.12 -0.19 0.00 -1.72 0.00 0.00 179.24 177.47 1do9 h ALA 67 N 1.81 0.35 -0.84 3.45 0.00 -1.92 -2.19 119.26 119.92 1do9 h ALA 67 Ca 0.16 -0.35 0.17 0.00 0.00 0.00 0.00 54.91 54.89 1do9 h ALA 67 Cb 0.37 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1do9 h ALA 67 CO -0.03 0.28 0.55 0.00 0.00 0.00 0.00 179.25 180.06 1do9 h ARG 68 N 0.27 0.48 -0.22 0.00 -0.00 -0.06 -2.63 114.38 112.21 1do9 h ARG 68 Ca 0.04 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.98 59.37 1do9 h ARG 68 Cb 0.73 -0.11 -0.00 0.00 0.00 0.00 0.00 29.97 30.60 1do9 h ARG 68 CO 0.05 0.32 -0.35 0.93 0.00 0.00 0.00 179.97 180.92 1do9 h GLU 69 N 0.49 0.63 -0.67 0.04 5.08 -0.68 -2.84 114.58 116.64 1do9 h GLU 69 Ca 0.43 -0.38 0.10 0.00 -1.00 0.00 0.00 59.36 58.51 1do9 h GLU 69 Cb 0.92 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.16 1do9 h GLU 69 CO -0.16 0.99 0.44 -0.07 -1.00 0.00 0.00 179.01 179.21 1do9 h LEU 70 N 0.32 0.44 -1.89 1.33 3.38 -1.06 0.30 115.31 118.14 1do9 h LEU 70 Ca 0.02 0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.23 1do9 h LEU 70 Cb 0.94 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1do9 h LEU 70 CO 0.08 0.26 0.59 0.77 0.09 0.00 0.00 178.44 180.22 1do9 h SER 71 N 0.49 0.09 -0.56 -0.43 4.64 -1.25 -0.19 113.55 116.35 1do9 h SER 71 Ca 0.31 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.61 1do9 h SER 71 Cb 0.56 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.62 1do9 h SER 71 CO -0.10 0.04 0.25 0.50 -0.87 0.00 0.00 176.83 176.65 1do9 h LYS 72 N 0.09 0.86 -0.01 4.77 1.63 -1.01 -0.77 116.57 122.12 1do9 h LYS 72 Ca 0.40 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1do9 h LYS 72 Cb 1.46 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1do9 h LYS 72 CO -0.04 0.69 -0.08 -2.37 -3.45 0.00 0.00 179.45 174.20 1do9 n THR 73 N -4.33 0.00 -0.07 1.00 5.66 -0.10 -4.04 114.28 112.39 1do9 n THR 73 Ca 0.05 -0.09 -0.07 0.00 -3.05 0.00 0.00 64.05 60.88 1do9 n THR 73 Cb 0.16 -0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.81 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 -0.70 0.00 -1.68 1.09 3.01 -0.53 -4.64 117.46 114.01 1do9 n PHE 74 Ca 0.17 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 58.16 1do9 n PHE 74 Cb 0.27 -0.75 -0.04 0.00 -0.01 0.00 0.00 39.48 38.94 1do9 n PHE 74 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 1do9 n ILE 75 N -2.56 0.39 0.46 4.37 3.06 -0.41 -0.87 119.36 123.79 1do9 n ILE 75 Ca -0.25 -0.07 0.05 0.00 -2.50 0.00 0.00 62.75 59.98 1do9 n ILE 75 Cb 0.99 -1.78 -0.02 0.00 0.54 0.00 0.00 39.64 39.37 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 4.57 0.00 -3.29 9.51 -6.64 -0.31 -4.54 119.36 118.66 1do9 n ILE 76 Ca 0.20 -0.35 0.00 0.00 -1.77 0.00 0.00 62.75 60.83 1do9 n ILE 76 Cb 0.30 1.08 0.00 0.00 -1.44 0.00 0.00 39.64 39.58 1do9 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1do9 n GLY 77 N 1.02 -0.96 3.27 3.28 0.00 -0.97 -4.00 105.19 106.82 1do9 n GLY 77 Ca 0.03 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.57 1.23 0.81 1.61 2.12 -1.15 -1.75 118.70 121.00 1do9 s GLU 78 Ca 0.00 -1.62 -0.11 0.00 0.36 0.00 0.00 54.97 53.60 1do9 s GLU 78 Cb 0.00 -0.30 0.08 0.00 0.26 0.00 0.00 34.13 34.17 1do9 s GLU 78 CO 0.00 -0.18 1.11 -0.51 -0.54 0.00 0.00 175.26 175.14 1do9 s LEU 79 N -3.23 3.01 0.86 2.70 2.01 -1.26 -1.55 118.68 121.22 1do9 s LEU 79 Ca 0.29 1.96 -0.13 0.00 0.01 0.00 0.00 54.13 56.26 1do9 s LEU 79 Cb 0.07 -4.54 0.07 0.00 0.01 0.00 0.00 46.19 41.79 1do9 s LEU 79 CO 0.08 -2.34 0.86 1.57 1.01 0.00 0.00 176.35 177.53 1do9 n HIS 80 N -3.65 0.09 0.18 0.29 -0.00 0.14 -4.55 115.22 107.71 1do9 n HIS 80 Ca 0.10 0.35 0.03 0.00 0.46 0.00 0.00 57.72 58.66 1do9 n HIS 80 Cb 0.53 -1.96 0.32 0.00 -0.12 0.00 0.00 29.99 28.75 1do9 n HIS 80 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1do9 h PRO 81 N -1.23 0.00 0.00 1.57 0.13 -1.93 -1.28 132.00 129.25 1do9 h PRO 81 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1do9 h PRO 81 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1do9 h PRO 81 CO 0.41 0.43 -0.25 -0.44 -0.23 0.00 0.00 178.00 177.93 1do9 h ASP 82 N 0.00 0.00 0.00 1.44 3.32 -1.99 -2.81 116.42 116.38 1do9 h ASP 82 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1do9 h ASP 82 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1do9 h ASP 82 CO 0.06 0.25 0.00 0.47 -1.72 0.00 0.00 179.24 178.29 1do9 n ASP 83 N -3.75 0.00 0.03 6.45 8.00 -0.48 -1.36 116.55 125.43 1do9 n ASP 83 Ca -0.01 -1.54 -0.20 0.00 0.71 0.00 0.00 54.79 53.75 1do9 n ASP 83 Cb 0.35 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.31 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 0.00 0.27 0.00 -1.24 1.12 -1.57 -3.45 114.38 109.50 1do9 h ARG 84 Ca 0.00 -0.45 0.00 0.00 -1.11 0.00 0.00 59.98 58.42 1do9 h ARG 84 Cb 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.13 1do9 h ARG 84 CO 0.00 1.14 0.00 0.45 -3.11 0.00 0.00 179.97 178.45 1do9 n SER 85 N -3.45 0.00 0.11 -3.80 2.88 -1.24 -5.07 113.62 103.05 1do9 n SER 85 Ca -0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 1do9 n SER 85 Cb 1.06 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.52 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 0.00 0.00 -3.65 -1.46 5.02 -1.09 -5.07 118.16 111.91 1do9 n LYS 86 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1do9 n LYS 86 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 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 -2.95 -2.99 -3.67 -0.35 4.77 -0.46 -5.01 117.00 106.34 1do9 n LEU 87 Ca 0.00 -0.92 -0.07 0.00 -0.03 0.00 0.00 56.01 55.00 1do9 n LEU 87 Cb 0.00 -2.33 -0.02 0.00 -2.33 0.00 0.00 43.42 38.74 1do9 n LEU 87 CO 0.00 0.29 0.61 -0.55 -1.33 0.00 0.00 177.39 176.41 1do9 s SER 88 N -3.34 -0.30 -0.48 -1.43 0.15 -1.26 -5.11 113.70 101.93 1do9 s SER 88 Ca 0.35 -0.30 0.06 0.00 0.70 0.00 0.00 55.95 56.77 1do9 s SER 88 Cb -0.13 0.54 0.22 0.00 -1.71 0.00 0.00 66.02 64.94 1do9 s SER 88 CO 0.86 -0.95 0.76 1.17 1.20 0.00 0.00 173.24 176.28 1do9 n LYS 89 N -0.40 0.67 -0.98 5.44 0.00 -1.26 -5.11 118.16 116.51 1do9 n LYS 89 Ca -0.08 -2.10 -0.29 0.00 0.00 0.00 0.00 58.31 55.84 1do9 n LYS 89 Cb 0.61 -1.45 0.20 0.00 0.00 0.00 0.00 35.03 34.39 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 0.46 0.00 0.18 1.64 0.04 -1.26 -5.08 135.00 130.99 1do9 s PRO 90 Ca 0.32 0.61 0.02 0.00 0.04 0.00 0.00 61.00 61.99 1do9 s PRO 90 Cb 0.15 -1.68 -0.05 0.00 0.04 0.00 0.00 34.50 32.96 1do9 s PRO 90 CO -0.17 -3.04 -0.00 0.00 0.04 0.00 0.00 177.00 173.82 1do9 s MET 91 N -4.81 1.14 -0.29 4.56 0.23 -1.26 -5.15 119.30 113.71 1do9 s MET 91 Ca 0.66 -1.55 -0.13 0.00 -1.03 0.00 0.00 55.69 53.64 1do9 s MET 91 Cb -0.20 -0.33 0.12 0.00 -1.53 0.00 0.00 34.83 32.89 1do9 s MET 91 CO 0.60 -0.12 0.74 -2.00 -2.03 0.00 0.00 175.02 172.21 1do9 s GLU 92 N -3.90 0.55 0.31 3.16 2.56 -1.26 -5.18 118.70 114.94 1do9 s GLU 92 Ca 0.24 1.23 0.07 0.00 0.00 0.00 0.00 54.97 56.51 1do9 s GLU 92 Cb 0.06 0.56 -0.03 0.00 2.00 0.00 0.00 34.13 36.72 1do9 s GLU 92 CO 0.04 -0.16 0.30 -0.08 -0.56 0.00 0.00 175.26 174.80 1do9 s THR 93 N 2.39 3.99 -2.00 -1.70 -1.32 -1.26 -5.36 115.64 110.38 1do9 s THR 93 Ca -0.07 -1.30 0.02 0.00 -1.21 0.00 0.00 61.69 59.13 1do9 s THR 93 Cb -0.09 -3.33 0.04 0.00 -1.51 0.00 0.00 72.50 67.62 1do9 s THR 93 CO -0.19 -0.23 0.58 -0.11 -2.21 0.00 0.00 174.62 172.47