#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 0.05 -0.19 -1.24 2.85 -1.26 -5.17 118.16 113.21 1do9 n LYS 2 Ca 0.00 -0.14 -0.11 0.00 -1.05 0.00 0.00 58.31 57.00 1do9 n LYS 2 Cb 0.00 0.15 0.11 0.00 -0.65 0.00 0.00 35.03 34.64 1do9 n LYS 2 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1do9 n ASP 3 N -1.64 -2.36 0.00 -5.58 -0.08 -1.26 -5.09 116.55 100.54 1do9 n ASP 3 Ca -0.00 -0.47 0.00 0.00 -1.51 0.00 0.00 54.79 52.81 1do9 n ASP 3 Cb 0.03 -0.38 0.00 0.00 2.34 0.00 0.00 41.12 43.12 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 -3.85 0.00 -0.00 5.18 0.31 -1.26 -5.08 118.33 113.62 1do9 n VAL 4 Ca 0.05 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.37 1do9 n VAL 4 Cb 0.23 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.15 1do9 n VAL 4 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1do9 n LYS 5 N 0.00 0.08 -3.12 5.55 4.76 -1.26 -5.08 118.16 119.09 1do9 n LYS 5 Ca 0.00 0.03 -0.02 0.00 -2.87 0.00 0.00 58.31 55.45 1do9 n LYS 5 Cb 0.00 -0.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.73 1do9 n LYS 5 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1do9 n TYR 6 N -3.01 -0.13 -4.25 2.13 4.02 -1.25 -4.96 117.16 109.71 1do9 n TYR 6 Ca -0.02 0.05 -0.31 0.00 -0.01 0.00 0.00 57.90 57.61 1do9 n TYR 6 Cb 0.08 -1.00 -0.09 0.00 -0.02 0.00 0.00 39.34 38.31 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 -0.99 2.89 0.30 -0.72 2.02 -1.11 -4.82 117.35 114.92 1do9 s TYR 7 Ca 0.02 -0.06 -0.11 0.00 -0.37 0.00 0.00 57.07 56.54 1do9 s TYR 7 Cb -0.00 -1.53 -0.08 0.00 -0.40 0.00 0.00 41.96 39.95 1do9 s TYR 7 CO 0.04 0.44 0.66 0.95 -1.57 0.00 0.00 175.55 176.07 1do9 s THR 8 N -1.19 4.82 0.21 -0.71 -4.23 -1.26 -1.98 115.64 111.30 1do9 s THR 8 Ca 0.22 0.64 -0.10 0.00 -1.18 0.00 0.00 61.69 61.27 1do9 s THR 8 Cb -0.11 -3.64 0.17 0.00 1.34 0.00 0.00 72.50 70.26 1do9 s THR 8 CO 0.14 -0.22 1.69 -0.07 -0.54 0.00 0.00 174.62 175.62 1do9 h LEU 9 N 2.13 -0.08 -1.30 4.79 -0.00 -1.99 0.18 115.31 119.04 1do9 h LEU 9 Ca -0.47 0.12 0.18 0.00 -0.00 0.00 0.00 57.88 57.71 1do9 h LEU 9 Cb 1.18 0.19 -0.08 0.00 -0.00 0.00 0.00 40.66 41.95 1do9 h LEU 9 CO 0.66 -0.03 0.60 -0.33 -0.00 0.00 0.00 178.44 179.34 1do9 h GLU 10 N 0.21 0.58 -0.11 1.13 3.07 -1.96 0.24 114.58 117.75 1do9 h GLU 10 Ca 0.32 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.11 1do9 h GLU 10 Cb 0.49 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1do9 h GLU 10 CO -0.44 0.38 -0.07 1.49 -1.40 0.00 0.00 179.01 178.97 1do9 h GLU 11 N 0.60 0.24 -0.03 2.33 4.57 -1.05 -2.95 114.58 118.29 1do9 h GLU 11 Ca 0.49 -0.11 0.01 0.00 -1.18 0.00 0.00 59.36 58.57 1do9 h GLU 11 Cb 0.96 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.55 1do9 h GLU 11 CO -0.24 0.61 0.02 0.82 -1.18 0.00 0.00 179.01 179.04 1do9 h ILE 12 N -0.13 0.88 -0.06 2.32 5.03 -0.34 0.55 117.51 125.76 1do9 h ILE 12 Ca 0.02 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.76 1do9 h ILE 12 Cb 0.54 0.99 0.00 0.00 -3.03 0.00 0.00 36.82 35.32 1do9 h ILE 12 CO 0.02 0.00 0.00 0.29 -0.68 0.00 0.00 178.15 177.78 1do9 n LYS 13 N -4.37 1.14 -0.09 2.37 5.02 -0.09 -2.71 118.16 119.43 1do9 n LYS 13 Ca -0.02 -0.20 0.03 0.00 -2.02 0.00 0.00 58.31 56.09 1do9 n LYS 13 Cb 0.11 -1.07 0.08 0.00 -0.02 0.00 0.00 35.03 34.14 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 -0.31 2.53 0.00 1.97 5.02 0.18 -4.91 118.16 122.63 1do9 n LYS 14 Ca 0.02 -1.71 0.00 0.00 -2.02 0.00 0.00 58.31 54.60 1do9 n LYS 14 Cb 0.06 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 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 0.15 0.00 -1.38 2.13 8.25 -1.10 -4.88 115.22 118.38 1do9 n HIS 15 Ca 0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.42 1do9 n HIS 15 Cb 0.33 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.40 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 -2.81 -4.94 0.41 0.23 -1.22 -4.93 115.26 102.00 1do9 n ASN 16 Ca 0.00 0.26 -0.24 0.00 -0.53 0.00 0.00 54.58 54.07 1do9 n ASN 16 Cb 0.00 -2.71 -0.01 0.00 -2.08 0.00 0.00 39.78 34.99 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 -1.93 3.44 -0.75 -2.53 3.76 -1.25 -4.88 115.29 111.15 1do9 s HIS 17 Ca 0.00 0.32 -0.06 0.00 -0.15 0.00 0.00 55.06 55.17 1do9 s HIS 17 Cb 0.00 -1.98 -0.12 0.00 1.11 0.00 0.00 32.58 31.59 1do9 s HIS 17 CO 0.00 0.02 2.67 0.43 -0.85 0.00 0.00 174.74 177.02 1do9 n SER 18 N -1.84 5.67 0.00 1.40 7.64 -1.26 -2.64 113.62 122.59 1do9 n SER 18 Ca -0.03 -2.36 0.00 0.00 1.01 0.00 0.00 58.87 57.48 1do9 n SER 18 Cb 0.56 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 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 3.39 0.00 -3.07 1.43 4.81 -1.26 -5.01 118.16 118.46 1do9 n LYS 19 Ca 0.50 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.75 1do9 n LYS 19 Cb 0.39 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.41 1do9 n LYS 19 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1do9 n SER 20 N -0.05 -0.62 -4.57 3.14 7.64 -1.14 -4.88 113.62 113.15 1do9 n SER 20 Ca 0.00 -2.90 -0.40 0.00 1.01 0.00 0.00 58.87 56.58 1do9 n SER 20 Cb 0.00 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.23 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 -0.77 3.35 0.49 0.44 2.01 -1.08 -3.43 115.64 116.65 1do9 s THR 21 Ca 0.34 0.27 0.08 0.00 0.31 0.00 0.00 61.69 62.69 1do9 s THR 21 Cb 0.20 -3.73 0.03 0.00 0.01 0.00 0.00 72.50 69.01 1do9 s THR 21 CO -0.14 -0.64 0.59 0.26 -0.69 0.00 0.00 174.62 174.00 1do9 s TRP 22 N 8.78 2.18 0.11 4.92 0.52 -1.26 0.06 118.94 134.24 1do9 s TRP 22 Ca 0.75 -0.58 -0.24 0.00 0.02 0.00 0.00 56.10 56.05 1do9 s TRP 22 Cb -0.16 -2.23 0.08 0.00 -1.15 0.00 0.00 33.47 30.01 1do9 s TRP 22 CO 0.25 -0.62 1.11 1.47 0.02 0.00 0.00 176.95 179.18 1do9 n LEU 23 N -1.91 0.00 -4.01 2.99 -0.00 -1.07 -0.84 117.00 112.15 1do9 n LEU 23 Ca 0.09 -1.06 -0.31 0.00 -0.00 0.00 0.00 56.01 54.72 1do9 n LEU 23 Cb 0.61 2.43 -0.15 0.00 -0.00 0.00 0.00 43.42 46.31 1do9 n LEU 23 CO 0.40 -0.35 -0.36 -0.63 -0.00 0.00 0.00 177.39 176.45 1do9 s ILE 24 N -2.05 2.18 -0.28 1.47 -1.09 -0.02 -1.93 121.20 119.48 1do9 s ILE 24 Ca 0.25 -2.15 0.00 0.00 -2.23 0.00 0.00 60.65 56.52 1do9 s ILE 24 Cb -0.02 -2.55 0.05 0.00 -1.58 0.00 0.00 42.46 38.36 1do9 s ILE 24 CO 0.03 -0.49 -0.04 -0.76 -1.23 0.00 0.00 174.94 172.45 1do9 s LEU 25 N 0.98 3.72 -0.27 2.97 1.43 -1.22 -1.89 118.68 124.40 1do9 s LEU 25 Ca 0.07 -1.31 -0.01 0.00 -1.03 0.00 0.00 54.13 51.84 1do9 s LEU 25 Cb -0.19 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1do9 s LEU 25 CO -0.08 -0.23 0.24 1.41 0.23 0.00 0.00 176.35 177.91 1do9 n HIS 26 N 4.55 -0.63 -3.63 0.29 8.25 -1.26 -3.89 115.22 118.90 1do9 n HIS 26 Ca -0.14 0.22 -0.21 0.00 -0.26 0.00 0.00 57.72 57.33 1do9 n HIS 26 Cb 0.43 -2.91 -0.06 0.00 1.12 0.00 0.00 29.99 28.57 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 -1.93 -0.80 -3.98 4.41 1.44 -1.26 -4.90 115.22 108.20 1do9 n HIS 27 Ca -0.02 0.40 -0.10 0.00 -2.01 0.00 0.00 57.72 55.99 1do9 n HIS 27 Cb 0.53 -1.69 -0.07 0.00 0.12 0.00 0.00 29.99 28.89 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 -5.67 1.23 -0.27 -1.40 1.02 -1.25 -4.03 119.74 109.37 1do9 s LYS 28 Ca 0.10 -1.22 -0.05 0.00 0.02 0.00 0.00 55.97 54.81 1do9 s LYS 28 Cb -0.06 0.39 0.01 0.00 -0.52 0.00 0.00 37.83 37.65 1do9 s LYS 28 CO 0.64 -0.46 0.04 0.08 -0.92 0.00 0.00 175.35 174.73 1do9 s VAL 29 N -3.99 3.69 0.32 3.17 1.01 -0.80 -3.38 120.40 120.43 1do9 s VAL 29 Ca 0.20 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1do9 s VAL 29 Cb 0.03 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 1do9 s VAL 29 CO 0.03 0.16 0.32 -0.31 0.00 0.00 0.00 175.10 175.30 1do9 s TYR 30 N 1.47 2.99 -0.54 5.22 1.51 -0.81 -1.56 117.35 125.63 1do9 s TYR 30 Ca 0.03 -0.25 0.04 0.00 -1.01 0.00 0.00 57.07 55.88 1do9 s TYR 30 Cb -0.17 -1.78 0.16 0.00 -0.11 0.00 0.00 41.96 40.07 1do9 s TYR 30 CO 0.00 0.19 0.39 0.34 -1.11 0.00 0.00 175.55 175.37 1do9 s ASP 31 N -4.01 3.21 -0.04 2.29 2.15 0.37 -2.60 116.67 118.04 1do9 s ASP 31 Ca 0.41 -3.34 0.00 0.00 0.43 0.00 0.00 52.55 50.05 1do9 s ASP 31 Cb -0.07 -1.04 0.06 0.00 -0.30 0.00 0.00 42.92 41.58 1do9 s ASP 31 CO 0.27 -0.15 1.06 0.18 -0.17 0.00 0.00 175.17 176.37 1do9 n LEU 32 N 2.58 3.26 -0.01 -1.34 4.77 0.11 -4.21 117.00 122.15 1do9 n LEU 32 Ca 0.22 -1.65 -0.09 0.00 -0.03 0.00 0.00 56.01 54.46 1do9 n LEU 32 Cb 0.40 -0.53 -0.08 0.00 -2.33 0.00 0.00 43.42 40.89 1do9 n LEU 32 CO 0.19 0.54 0.30 0.00 -1.33 0.00 0.00 177.39 177.08 1do9 h THR 33 N 0.11 0.96 0.00 -5.08 1.03 -1.89 -0.47 112.91 107.57 1do9 h THR 33 Ca 0.06 -1.50 0.00 0.00 -0.01 0.00 0.00 66.41 64.95 1do9 h THR 33 Cb 1.15 1.74 0.00 0.00 -1.07 0.00 0.00 68.15 69.97 1do9 h THR 33 CO 0.10 0.30 0.00 2.29 -0.01 0.00 0.00 175.52 178.20 1do9 n LYS 34 N -4.78 0.05 0.00 0.00 -0.00 -1.26 -2.76 118.16 109.42 1do9 n LYS 34 Ca -0.07 0.19 0.06 0.00 -0.00 0.00 0.00 58.31 58.49 1do9 n LYS 34 Cb 0.27 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 33.75 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 -1.45 0.00 0.00 5.58 7.35 -1.20 -4.39 117.46 123.34 1do9 n PHE 35 Ca 0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1do9 n PHE 35 Cb 0.19 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.02 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 -1.09 0.00 0.00 -2.13 4.77 -0.19 0.43 117.00 118.79 1do9 n LEU 36 Ca 0.03 0.32 0.11 0.00 -0.03 0.00 0.00 56.01 56.44 1do9 n LEU 36 Cb 0.20 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 41.90 1do9 n LEU 36 CO 0.22 0.00 0.86 -0.62 -1.33 0.00 0.00 177.39 176.52 1do9 n GLU 37 N -0.61 0.51 -0.05 3.23 -0.58 -1.26 -2.10 120.64 119.78 1do9 n GLU 37 Ca 0.00 0.04 0.12 0.00 -0.42 0.00 0.00 57.16 56.90 1do9 n GLU 37 Cb 0.00 -1.50 0.36 0.00 -0.57 0.00 0.00 31.44 29.73 1do9 n GLU 37 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1do9 n GLU 38 N -1.15 1.91 -3.36 3.49 -0.58 -0.83 -4.89 120.64 115.23 1do9 n GLU 38 Ca 0.14 -1.35 -0.38 0.00 -0.42 0.00 0.00 57.16 55.15 1do9 n GLU 38 Cb 0.13 -1.45 -0.07 0.00 -0.57 0.00 0.00 31.44 29.48 1do9 n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1do9 s HIS 39 N -1.87 3.42 -0.78 -0.32 2.46 0.17 -4.94 115.29 113.42 1do9 s HIS 39 Ca 0.35 0.71 -0.25 0.00 0.47 0.00 0.00 55.06 56.34 1do9 s HIS 39 Cb 0.20 -2.54 -0.03 0.00 -0.13 0.00 0.00 32.58 30.08 1do9 s HIS 39 CO 0.30 0.04 1.85 -1.25 -2.47 0.00 0.00 174.74 173.22 1do9 s PRO 40 N 1.12 2.68 0.00 2.88 0.04 -1.26 -3.90 135.00 136.55 1do9 s PRO 40 Ca 0.22 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1do9 s PRO 40 Cb -0.15 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.63 1do9 s PRO 40 CO 0.08 -2.99 0.00 0.41 0.04 0.00 0.00 177.00 174.55 1do9 n GLY 41 N 6.32 0.09 3.41 0.56 0.00 -1.26 -5.11 105.19 109.20 1do9 n GLY 41 Ca 0.30 0.05 -0.16 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.41 -0.19 -0.02 0.00 -1.25 -5.05 107.32 100.39 1do9 s GLY 42 Ca 0.00 0.95 0.09 0.00 0.00 0.00 0.00 44.72 45.76 1do9 s GLY 42 CO 0.00 0.66 0.07 -1.84 0.00 0.00 0.00 173.10 171.99 1do9 n GLU 43 N 1.15 0.68 -0.05 2.90 0.00 -1.25 -4.31 120.64 119.75 1do9 n GLU 43 Ca -0.20 0.12 -0.07 0.00 0.00 0.00 0.00 57.16 57.01 1do9 n GLU 43 Cb 0.57 -1.58 0.11 0.00 0.00 0.00 0.00 31.44 30.54 1do9 n GLU 43 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1do9 h GLU 44 N 0.01 0.67 -0.70 3.44 4.81 -1.97 -0.55 114.58 120.30 1do9 h GLU 44 Ca -0.51 -0.29 0.11 0.00 -0.13 0.00 0.00 59.36 58.54 1do9 h GLU 44 Cb 2.07 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 31.39 1do9 h GLU 44 CO 0.00 0.88 0.46 -0.39 -0.73 0.00 0.00 179.01 179.23 1do9 h VAL 45 N 0.58 0.90 0.00 0.32 -1.51 -2.00 0.28 116.25 114.82 1do9 h VAL 45 Ca 0.07 -0.18 -0.04 0.00 -1.23 0.00 0.00 66.70 65.33 1do9 h VAL 45 Cb 0.77 0.32 -0.01 0.00 -2.13 0.00 0.00 31.29 30.25 1do9 h VAL 45 CO 0.06 0.10 -0.17 -0.07 -1.23 0.00 0.00 177.57 176.26 1do9 h LEU 46 N 0.53 0.00 -0.01 4.19 3.38 -1.28 -1.58 115.31 120.53 1do9 h LEU 46 Ca 0.33 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.17 1do9 h LEU 46 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1do9 h LEU 46 CO -0.11 0.17 -0.61 -0.09 0.09 0.00 0.00 178.44 177.90 1do9 h ARG 47 N 0.00 0.00 -0.27 1.13 2.43 -0.47 -1.95 114.38 115.25 1do9 h ARG 47 Ca -0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1do9 h ARG 47 Cb 0.33 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1do9 h ARG 47 CO 0.02 0.61 -0.36 0.93 -1.51 0.00 0.00 179.97 179.66 1do9 h GLU 48 N 0.00 0.61 -0.10 0.20 5.08 -0.11 -2.98 114.58 117.27 1do9 h GLU 48 Ca -0.01 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1do9 h GLU 48 Cb 1.46 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1do9 h GLU 48 CO 0.08 0.88 0.00 1.04 -1.00 0.00 0.00 179.01 180.01 1do9 n GLN 49 N -4.05 1.75 -1.61 2.33 3.00 -1.12 -4.97 117.38 112.71 1do9 n GLN 49 Ca -0.01 -1.72 -0.41 0.00 -0.01 0.00 0.00 57.00 54.84 1do9 n GLN 49 Cb 0.49 -1.37 0.01 0.00 0.00 0.00 0.00 30.24 29.38 1do9 n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1do9 n ALA 50 N 1.06 0.15 -1.96 -1.58 0.00 -0.73 -0.74 120.51 116.72 1do9 n ALA 50 Ca 0.12 0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.66 1do9 n ALA 50 Cb 0.47 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 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 1.20 0.32 3.48 0.00 0.00 -0.02 -4.83 105.19 105.34 1do9 n GLY 51 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 1do9 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1do9 s GLY 52 N -2.08 1.49 -0.72 -0.02 0.00 0.09 -4.34 107.32 101.73 1do9 s GLY 52 Ca 0.00 -1.52 -0.22 0.00 0.00 0.00 0.00 44.72 42.98 1do9 s GLY 52 CO 0.00 -1.01 1.02 -0.35 0.00 0.00 0.00 173.10 172.76 1do9 s ASP 53 N -3.23 6.26 0.00 1.64 -1.08 -1.26 -0.84 116.67 118.16 1do9 s ASP 53 Ca 0.31 -1.17 0.26 0.00 -0.52 0.00 0.00 52.55 51.43 1do9 s ASP 53 Cb -0.00 -2.43 0.62 0.00 -1.46 0.00 0.00 42.92 39.66 1do9 s ASP 53 CO 0.20 -1.40 1.49 0.00 0.52 0.00 0.00 175.17 175.98 1do9 n ALA 54 N 7.62 3.30 -0.35 3.66 0.00 -0.79 -4.40 120.51 129.55 1do9 n ALA 54 Ca 0.02 -0.39 0.10 0.00 0.00 0.00 0.00 53.44 53.17 1do9 n ALA 54 Cb 0.46 -1.11 0.27 0.00 0.00 0.00 0.00 19.45 19.07 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 0.74 0.78 -0.40 0.00 2.02 -1.86 0.13 112.91 114.33 1do9 h THR 55 Ca 0.00 -0.28 0.03 0.00 0.77 0.00 0.00 66.41 66.93 1do9 h THR 55 Cb 0.51 -0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1do9 h THR 55 CO 0.00 0.15 0.21 -0.33 0.37 0.00 0.00 175.52 175.92 1do9 h GLU 56 N 0.82 0.41 0.77 6.66 3.07 -1.92 -1.50 114.58 122.88 1do9 h GLU 56 Ca 0.53 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.33 1do9 h GLU 56 Cb 0.72 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1do9 h GLU 56 CO -0.34 0.27 -0.48 -0.91 -1.40 0.00 0.00 179.01 176.15 1do9 h ASN 57 N 0.42 -1.21 -0.84 1.42 2.35 -1.07 -0.04 115.58 116.61 1do9 h ASN 57 Ca 0.17 0.07 0.21 0.00 -0.55 0.00 0.00 56.30 56.20 1do9 h ASN 57 Cb 0.06 0.35 -0.14 0.00 0.05 0.00 0.00 38.32 38.64 1do9 h ASN 57 CO -0.10 -0.73 0.11 0.15 -1.65 0.00 0.00 177.43 175.20 1do9 h PHE 58 N -1.17 0.13 -0.29 1.19 3.04 -1.06 0.73 116.94 119.51 1do9 h PHE 58 Ca -0.10 0.05 -0.16 0.00 3.98 0.00 0.00 57.97 61.74 1do9 h PHE 58 Cb 0.94 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.52 1do9 h PHE 58 CO -0.11 -0.25 -0.46 0.93 -2.02 0.00 0.00 178.31 176.40 1do9 h GLU 59 N 0.14 0.77 -0.60 1.11 4.39 -1.04 -2.47 114.58 116.88 1do9 h GLU 59 Ca 0.50 -0.44 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 1do9 h GLU 59 Cb 0.96 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 1do9 h GLU 59 CO -0.69 1.07 0.05 -0.44 -1.16 0.00 0.00 179.01 177.83 1do9 h ASP 60 N 0.61 0.98 -0.43 1.42 5.19 0.83 -2.72 116.42 122.31 1do9 h ASP 60 Ca 0.04 -0.25 -0.05 0.00 -0.62 0.00 0.00 57.03 56.15 1do9 h ASP 60 Cb 1.03 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.26 1do9 h ASP 60 CO 0.10 1.00 0.08 0.58 -3.12 0.00 0.00 179.24 177.88 1do9 h VAL 61 N 0.94 1.24 -0.19 -1.35 2.07 -0.86 -3.48 116.25 114.64 1do9 h VAL 61 Ca 0.18 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1do9 h VAL 61 Cb 0.48 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1do9 h VAL 61 CO 0.02 0.30 0.00 0.61 0.02 0.00 0.00 177.57 178.52 1do9 n GLY 62 N -0.53 1.16 3.33 2.17 0.00 -0.94 -5.02 105.19 105.37 1do9 n GLY 62 Ca -0.00 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 1do9 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1do9 n HIS 63 N -1.76 -2.08 -1.37 1.61 8.25 -1.20 -4.99 115.22 113.67 1do9 n HIS 63 Ca 0.00 0.37 -0.29 0.00 -0.26 0.00 0.00 57.72 57.54 1do9 n HIS 63 Cb 0.21 -1.78 0.19 0.00 1.12 0.00 0.00 29.99 29.73 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 -1.17 2.40 0.13 0.41 1.04 -1.26 -4.92 113.70 110.34 1do9 s SER 64 Ca 0.60 0.78 -0.08 0.00 0.48 0.00 0.00 55.95 57.74 1do9 s SER 64 Cb -0.41 -1.19 -0.08 0.00 0.10 0.00 0.00 66.02 64.44 1do9 s SER 64 CO 0.63 -3.22 1.33 0.74 0.98 0.00 0.00 173.24 173.70 1do9 h THR 65 N -1.96 1.33 -0.49 2.02 2.02 -1.99 -2.65 112.91 111.18 1do9 h THR 65 Ca -0.49 -2.15 0.14 0.00 0.77 0.00 0.00 66.41 64.69 1do9 h THR 65 Cb 1.31 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 69.85 1do9 h THR 65 CO 0.48 0.66 0.35 0.44 0.37 0.00 0.00 175.52 177.82 1do9 h ASP 66 N 0.38 0.02 0.56 4.18 3.32 -2.00 0.65 116.42 123.53 1do9 h ASP 66 Ca -0.06 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.70 1do9 h ASP 66 Cb 1.44 -0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.00 1do9 h ASP 66 CO 0.16 0.01 -1.33 0.00 -1.72 0.00 0.00 179.24 176.36 1do9 h ALA 67 N 1.76 0.11 -0.47 3.45 0.00 -1.91 -2.86 119.26 119.33 1do9 h ALA 67 Ca 0.23 -0.93 0.10 0.00 0.00 0.00 0.00 54.91 54.32 1do9 h ALA 67 Cb 0.91 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1do9 h ALA 67 CO -0.01 0.98 0.32 0.00 0.00 0.00 0.00 179.25 180.55 1do9 h ARG 68 N 0.08 0.16 0.46 0.00 -0.00 -0.54 -2.67 114.38 111.87 1do9 h ARG 68 Ca -0.17 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.98 59.28 1do9 h ARG 68 Cb 2.00 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 31.94 1do9 h ARG 68 CO 0.20 0.11 -0.22 0.93 0.00 0.00 0.00 179.97 180.99 1do9 h GLU 69 N 0.17 -0.59 -0.68 0.04 5.08 -1.22 -3.23 114.58 114.16 1do9 h GLU 69 Ca 0.22 0.04 0.20 0.00 -1.00 0.00 0.00 59.36 58.82 1do9 h GLU 69 Cb 0.65 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1do9 h GLU 69 CO -0.03 -0.34 0.53 -0.07 -1.00 0.00 0.00 179.01 178.10 1do9 h LEU 70 N -1.11 0.00 -0.67 1.33 -0.00 -1.40 0.33 115.31 113.80 1do9 h LEU 70 Ca -0.06 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 57.94 1do9 h LEU 70 Cb 0.53 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.06 1do9 h LEU 70 CO 0.10 0.00 -0.28 0.77 -0.00 0.00 0.00 178.44 179.04 1do9 h SER 71 N 0.00 -0.98 0.40 -0.43 4.64 -1.49 0.99 113.55 116.67 1do9 h SER 71 Ca 0.32 0.23 -0.09 0.00 -0.47 0.00 0.00 61.79 61.77 1do9 h SER 71 Cb 1.37 0.54 -0.01 0.00 -0.31 0.00 0.00 62.40 63.99 1do9 h SER 71 CO -0.00 -0.28 -0.43 0.50 -0.87 0.00 0.00 176.83 175.75 1do9 h LYS 72 N -0.09 0.05 -0.00 4.77 3.11 -0.42 -1.61 116.57 122.38 1do9 h LYS 72 Ca 0.29 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.10 1do9 h LYS 72 Cb 0.55 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 1do9 h LYS 72 CO -0.73 0.47 -0.01 0.25 -2.81 0.00 0.00 179.45 176.63 1do9 n THR 73 N -4.02 0.00 0.49 1.00 -2.24 0.01 -3.15 114.28 106.37 1do9 n THR 73 Ca -0.02 -0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.81 1do9 n THR 73 Cb 0.46 -0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1do9 n THR 73 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1do9 n PHE 74 N -1.17 0.00 -1.77 4.78 3.72 0.13 -4.97 117.46 118.18 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 0.21 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 1do9 n PHE 74 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1do9 s ILE 75 N -1.64 2.51 0.00 4.37 1.01 -0.82 -0.48 121.20 126.14 1do9 s ILE 75 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.86 1do9 s ILE 75 Cb 0.08 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.46 1do9 s ILE 75 CO 0.33 0.00 0.86 2.30 0.00 0.00 0.00 174.94 178.43 1do9 n ILE 76 N 4.51 0.72 0.00 2.92 -6.64 -0.60 -4.91 119.36 115.36 1do9 n ILE 76 Ca 0.17 -0.85 0.00 0.00 -1.77 0.00 0.00 62.75 60.30 1do9 n ILE 76 Cb 0.38 0.65 0.00 0.00 -1.44 0.00 0.00 39.64 39.22 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 -0.36 0.20 3.52 3.28 0.00 -1.22 -4.76 105.19 105.85 1do9 n GLY 77 Ca 0.00 -1.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.58 1do9 n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1do9 s GLU 78 N -2.00 1.91 0.52 1.61 -1.05 -1.26 -1.90 118.70 116.52 1do9 s GLU 78 Ca 0.00 -1.15 -0.22 0.00 -0.15 0.00 0.00 54.97 53.45 1do9 s GLU 78 Cb 0.00 -2.17 -0.07 0.00 -0.44 0.00 0.00 34.13 31.45 1do9 s GLU 78 CO 0.00 0.48 1.22 1.28 0.95 0.00 0.00 175.26 179.19 1do9 n LEU 79 N 0.67 4.52 -4.47 1.83 4.32 -1.26 -2.76 117.00 119.85 1do9 n LEU 79 Ca -0.14 0.98 -0.36 0.00 -0.02 0.00 0.00 56.01 56.46 1do9 n LEU 79 Cb 0.53 -1.50 0.07 0.00 -1.62 0.00 0.00 43.42 40.90 1do9 n LEU 79 CO 0.31 -0.95 0.08 1.41 -1.22 0.00 0.00 177.39 177.01 1do9 n HIS 80 N -0.94 -0.76 -2.26 -1.77 8.25 -0.83 -4.80 115.22 112.11 1do9 n HIS 80 Ca 0.10 0.35 -0.33 0.00 -0.26 0.00 0.00 57.72 57.59 1do9 n HIS 80 Cb 0.43 -1.92 -0.04 0.00 1.12 0.00 0.00 29.99 29.58 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 -2.78 2.99 0.00 -0.41 0.04 -1.26 -1.54 135.00 132.04 1do9 s PRO 81 Ca 0.66 -0.72 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1do9 s PRO 81 Cb -0.35 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 28.99 1do9 s PRO 81 CO 0.58 -2.95 0.00 -0.25 0.04 0.00 0.00 177.00 174.42 1do9 n ASP 82 N 11.92 0.00 0.21 6.66 8.00 -1.26 -4.99 116.55 137.10 1do9 n ASP 82 Ca 0.38 0.00 0.14 0.00 0.71 0.00 0.00 54.79 56.03 1do9 n ASP 82 Cb 0.48 0.00 0.49 0.00 -0.02 0.00 0.00 41.12 42.07 1do9 n ASP 82 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1do9 h ASP 83 N 0.00 0.00 -0.00 -2.24 3.32 -1.60 -1.79 116.42 114.11 1do9 h ASP 83 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1do9 h ASP 83 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1do9 h ASP 83 CO 0.00 0.00 -0.67 -1.14 -1.72 0.00 0.00 179.24 175.71 1do9 n ARG 84 N -2.82 1.77 -1.80 3.56 0.63 -1.26 -4.99 116.66 111.75 1do9 n ARG 84 Ca 0.02 -0.16 -0.18 0.00 -0.92 0.00 0.00 57.85 56.62 1do9 n ARG 84 Cb 0.36 -1.25 -0.05 0.00 0.45 0.00 0.00 32.46 31.97 1do9 n ARG 84 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1do9 n SER 85 N -1.13 -5.13 0.00 6.15 7.64 -0.67 -4.80 113.62 115.67 1do9 n SER 85 Ca 0.04 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1do9 n SER 85 Cb 0.27 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.27 1do9 n SER 85 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1do9 n LYS 86 N -2.56 0.00 0.00 1.43 5.02 -1.26 -5.04 118.16 115.75 1do9 n LYS 86 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1do9 n LYS 86 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.62 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 0.00 0.00 0.00 -0.35 4.32 -1.26 -4.73 117.00 114.98 1do9 n LEU 87 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 56.01 56.00 1do9 n LEU 87 Cb 0.00 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 1do9 n LEU 87 CO 0.00 -0.13 0.60 -0.24 -1.22 0.00 0.00 177.39 176.41 1do9 n SER 88 N -3.89 -0.80 -4.75 -1.43 2.88 -1.26 -5.10 113.62 99.27 1do9 n SER 88 Ca 0.00 -1.26 -0.39 0.00 -1.33 0.00 0.00 58.87 55.89 1do9 n SER 88 Cb 0.00 1.26 -0.05 0.00 -0.75 0.00 0.00 64.21 64.67 1do9 n SER 88 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1do9 s LYS 89 N -2.01 4.35 1.24 -1.46 0.00 -1.26 -5.04 119.74 115.56 1do9 s LYS 89 Ca 0.17 0.74 -0.20 0.00 0.00 0.00 0.00 55.97 56.68 1do9 s LYS 89 Cb -0.01 -3.37 0.30 0.00 0.00 0.00 0.00 37.83 34.75 1do9 s LYS 89 CO 0.01 0.29 1.08 -1.25 0.00 0.00 0.00 175.35 175.48 1do9 s PRO 90 N 0.08 -1.54 0.23 1.78 0.04 -1.26 -5.09 135.00 129.25 1do9 s PRO 90 Ca 0.32 -0.05 0.09 0.00 0.04 0.00 0.00 61.00 61.41 1do9 s PRO 90 Cb -0.18 -1.56 -0.05 0.00 0.04 0.00 0.00 34.50 32.76 1do9 s PRO 90 CO 0.17 -3.92 -0.17 0.00 0.04 0.00 0.00 177.00 173.12 1do9 s MET 91 N -5.36 1.46 0.27 4.56 0.23 -1.26 -5.16 119.30 114.04 1do9 s MET 91 Ca 0.71 -1.64 -0.09 0.00 -1.03 0.00 0.00 55.69 53.64 1do9 s MET 91 Cb -0.10 -1.39 -0.00 0.00 -1.53 0.00 0.00 34.83 31.81 1do9 s MET 91 CO 0.56 0.25 0.45 -1.83 -2.03 0.00 0.00 175.02 172.42 1do9 s GLU 92 N -3.51 1.64 0.29 3.16 4.04 -1.26 -5.19 118.70 117.86 1do9 s GLU 92 Ca 0.25 -1.45 -0.01 0.00 0.04 0.00 0.00 54.97 53.79 1do9 s GLU 92 Cb -0.03 0.44 -0.02 0.00 0.02 0.00 0.00 34.13 34.55 1do9 s GLU 92 CO 0.10 -0.67 0.34 -0.08 -1.84 0.00 0.00 175.26 173.10 1do9 s THR 93 N -3.69 0.00 -2.00 1.83 -1.32 -1.26 -5.36 115.64 103.84 1do9 s THR 93 Ca 0.26 -1.77 0.08 0.00 -1.21 0.00 0.00 61.69 59.05 1do9 s THR 93 Cb 0.00 -2.50 0.22 0.00 -1.51 0.00 0.00 72.50 68.71 1do9 s THR 93 CO 0.13 0.00 0.92 -0.11 -2.21 0.00 0.00 174.62 173.35