#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 0.21 -0.56 -1.24 5.02 -1.26 -5.04 118.16 115.30 1do9 n LYS 2 Ca 0.00 0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.24 1do9 n LYS 2 Cb 0.00 -1.11 0.09 0.00 -0.02 0.00 0.00 35.03 33.99 1do9 n LYS 2 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1do9 n ASP 3 N -2.88 -0.68 0.00 4.39 -0.08 -1.26 -5.11 116.55 110.93 1do9 n ASP 3 Ca -0.16 -0.97 0.00 0.00 -1.51 0.00 0.00 54.79 52.15 1do9 n ASP 3 Cb 0.66 -0.38 0.00 0.00 2.34 0.00 0.00 41.12 43.74 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 -3.03 0.00 0.00 5.18 0.31 -1.26 -5.10 118.33 114.43 1do9 n VAL 4 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1do9 n VAL 4 Cb 0.22 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 0.21 -3.04 5.55 4.76 -1.26 -5.02 118.16 119.36 1do9 n LYS 5 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1do9 n LYS 5 Cb 0.00 -0.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.43 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 -1.94 0.00 -4.11 2.13 4.01 -1.25 -4.91 117.16 111.09 1do9 n TYR 6 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 1do9 n TYR 6 Cb 0.26 -0.95 -0.06 0.00 -0.31 0.00 0.00 39.34 38.29 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 -0.87 3.09 0.43 -0.72 2.02 -0.40 -4.72 117.35 116.18 1do9 s TYR 7 Ca 0.00 -0.06 -0.06 0.00 -0.37 0.00 0.00 57.07 56.58 1do9 s TYR 7 Cb 0.00 -1.46 -0.05 0.00 -0.40 0.00 0.00 41.96 40.05 1do9 s TYR 7 CO 0.00 0.52 0.74 0.95 -1.57 0.00 0.00 175.55 176.19 1do9 s THR 8 N -1.84 4.90 0.20 -0.71 -4.23 -1.26 -0.71 115.64 111.99 1do9 s THR 8 Ca 0.31 0.26 -0.11 0.00 -1.18 0.00 0.00 61.69 60.97 1do9 s THR 8 Cb -0.09 -3.81 0.13 0.00 1.34 0.00 0.00 72.50 70.06 1do9 s THR 8 CO 0.23 -0.68 1.86 -0.07 -0.54 0.00 0.00 174.62 175.42 1do9 h LEU 9 N 0.71 0.80 -2.47 4.79 -0.00 -1.98 0.31 115.31 117.46 1do9 h LEU 9 Ca -0.47 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.38 1do9 h LEU 9 Cb 1.20 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 1do9 h LEU 9 CO 0.63 0.59 0.00 -0.33 -0.00 0.00 0.00 178.44 179.32 1do9 h GLU 10 N 0.94 0.00 0.02 1.13 5.08 -1.94 0.26 114.58 120.07 1do9 h GLU 10 Ca 0.25 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.34 1do9 h GLU 10 Cb -0.10 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1do9 h GLU 10 CO -0.05 0.00 -1.52 1.49 -1.00 0.00 0.00 179.01 177.93 1do9 h GLU 11 N 0.00 0.05 0.13 2.33 4.57 -1.36 -3.33 114.58 116.98 1do9 h GLU 11 Ca 0.00 -0.08 -0.32 0.00 -1.18 0.00 0.00 59.36 57.77 1do9 h GLU 11 Cb 0.08 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1do9 h GLU 11 CO 0.00 0.74 -1.65 0.82 -1.18 0.00 0.00 179.01 177.74 1do9 h ILE 12 N 0.01 1.03 0.00 2.32 2.04 -0.46 -3.29 117.51 119.15 1do9 h ILE 12 Ca -0.22 -2.66 0.00 0.00 1.00 0.00 0.00 64.86 62.98 1do9 h ILE 12 Cb 1.95 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 40.76 1do9 h ILE 12 CO 0.10 0.82 0.00 2.29 0.00 0.00 0.00 178.15 181.36 1do9 n LYS 13 N -3.48 0.97 -0.12 2.37 2.85 0.01 -2.78 118.16 117.98 1do9 n LYS 13 Ca -0.20 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.10 1do9 n LYS 13 Cb 1.05 -1.32 0.06 0.00 -0.65 0.00 0.00 35.03 34.18 1do9 n LYS 13 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1do9 n LYS 14 N -0.16 1.35 0.00 -1.58 2.85 -1.24 -4.96 118.16 114.43 1do9 n LYS 14 Ca 0.00 -1.80 0.00 0.00 -1.05 0.00 0.00 58.31 55.46 1do9 n LYS 14 Cb 0.16 -1.08 0.00 0.00 -0.65 0.00 0.00 35.03 33.46 1do9 n LYS 14 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1do9 n HIS 15 N -0.78 0.00 -3.23 5.58 8.25 -1.12 -4.89 115.22 119.03 1do9 n HIS 15 Ca 0.07 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.33 1do9 n HIS 15 Cb 0.54 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.63 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 -2.96 -4.77 0.41 0.23 -1.18 -4.95 115.26 102.05 1do9 n ASN 16 Ca 0.00 -0.26 -0.23 0.00 -0.53 0.00 0.00 54.58 53.57 1do9 n ASN 16 Cb 0.00 -2.50 -0.06 0.00 -2.08 0.00 0.00 39.78 35.14 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 -2.75 2.75 -0.52 -2.53 3.76 -0.84 -5.01 115.29 110.14 1do9 s HIS 17 Ca 0.33 -0.38 -0.07 0.00 -0.15 0.00 0.00 55.06 54.79 1do9 s HIS 17 Cb -0.18 -1.72 -0.21 0.00 1.11 0.00 0.00 32.58 31.58 1do9 s HIS 17 CO 0.40 0.27 3.41 0.45 -0.85 0.00 0.00 174.74 178.43 1do9 n SER 18 N -1.23 6.37 0.00 1.40 2.88 -1.26 -2.88 113.62 118.90 1do9 n SER 18 Ca -0.02 -2.51 0.00 0.00 -1.33 0.00 0.00 58.87 55.01 1do9 n SER 18 Cb 0.61 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 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 2.85 0.00 -3.71 -1.46 4.81 -1.26 -5.10 118.16 114.28 1do9 n LYS 19 Ca 0.55 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.75 1do9 n LYS 19 Cb 0.70 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 35.57 1do9 n LYS 19 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1do9 s SER 20 N -0.25 1.81 -0.35 3.14 0.01 -1.14 -4.86 113.70 112.06 1do9 s SER 20 Ca 0.00 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1do9 s SER 20 Cb 0.00 -0.35 0.11 0.00 0.21 0.00 0.00 66.02 65.99 1do9 s SER 20 CO 0.00 -0.25 0.15 -0.89 0.41 0.00 0.00 173.24 172.66 1do9 s THR 21 N 2.03 0.99 0.55 1.44 2.01 -1.26 -1.99 115.64 119.41 1do9 s THR 21 Ca 0.04 -1.78 0.07 0.00 0.31 0.00 0.00 61.69 60.32 1do9 s THR 21 Cb -0.14 -1.73 0.06 0.00 0.01 0.00 0.00 72.50 70.71 1do9 s THR 21 CO -0.06 -0.77 0.75 0.26 -0.69 0.00 0.00 174.62 174.12 1do9 s TRP 22 N 1.18 2.02 0.13 4.92 0.51 -1.26 -0.93 118.94 125.51 1do9 s TRP 22 Ca 0.13 -0.48 -0.24 0.00 -2.12 0.00 0.00 56.10 53.39 1do9 s TRP 22 Cb -0.20 -2.44 0.08 0.00 -0.81 0.00 0.00 33.47 30.11 1do9 s TRP 22 CO -0.15 -0.98 1.10 -0.48 -0.51 0.00 0.00 176.95 175.93 1do9 s LEU 23 N -4.65 -0.01 -0.40 2.99 0.05 -1.03 -0.80 118.68 114.83 1do9 s LEU 23 Ca 0.60 -0.53 0.03 0.00 0.05 0.00 0.00 54.13 54.28 1do9 s LEU 23 Cb -0.07 1.89 0.11 0.00 -2.05 0.00 0.00 46.19 46.06 1do9 s LEU 23 CO 0.38 -0.80 0.13 -0.63 -0.55 0.00 0.00 176.35 174.88 1do9 s ILE 24 N -2.20 2.49 -0.88 1.48 1.01 0.21 -1.72 121.20 121.59 1do9 s ILE 24 Ca 0.23 -2.59 -0.06 0.00 0.00 0.00 0.00 60.65 58.23 1do9 s ILE 24 Cb -0.02 -2.79 0.22 0.00 0.01 0.00 0.00 42.46 39.88 1do9 s ILE 24 CO 0.03 -0.67 0.79 -0.76 0.00 0.00 0.00 174.94 174.34 1do9 s LEU 25 N 0.59 5.94 0.00 2.97 1.43 -1.24 -1.95 118.68 126.42 1do9 s LEU 25 Ca 0.12 -3.30 0.00 0.00 -1.03 0.00 0.00 54.13 49.92 1do9 s LEU 25 Cb -0.21 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1do9 s LEU 25 CO -0.06 -0.33 0.00 1.41 0.23 0.00 0.00 176.35 177.61 1do9 n HIS 26 N 3.00 0.00 -3.48 0.29 8.25 -1.26 -4.40 115.22 117.61 1do9 n HIS 26 Ca 0.18 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.47 1do9 n HIS 26 Cb 0.40 -0.79 -0.05 0.00 1.12 0.00 0.00 29.99 30.67 1do9 n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1do9 n HIS 27 N -0.43 -0.65 -4.10 4.41 8.25 -1.26 -4.92 115.22 116.51 1do9 n HIS 27 Ca 0.00 0.29 -0.12 0.00 -0.26 0.00 0.00 57.72 57.63 1do9 n HIS 27 Cb 0.17 -1.44 -0.07 0.00 1.12 0.00 0.00 29.99 29.77 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 -5.35 1.54 -0.19 -0.41 1.02 -1.26 -4.45 119.74 110.64 1do9 s LYS 28 Ca 0.02 -1.55 0.01 0.00 0.02 0.00 0.00 55.97 54.47 1do9 s LYS 28 Cb -0.01 0.39 0.04 0.00 -0.52 0.00 0.00 37.83 37.73 1do9 s LYS 28 CO 0.52 -0.60 -0.09 0.08 -0.92 0.00 0.00 175.35 174.34 1do9 s VAL 29 N -3.79 1.51 0.39 3.17 1.01 -0.52 -3.68 120.40 118.48 1do9 s VAL 29 Ca 0.31 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.44 1do9 s VAL 29 Cb 0.02 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1do9 s VAL 29 CO 0.14 0.15 0.45 -0.31 0.00 0.00 0.00 175.10 175.53 1do9 s TYR 30 N 1.45 2.85 -0.21 5.22 1.51 -0.70 -1.52 117.35 125.95 1do9 s TYR 30 Ca -0.01 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 55.63 1do9 s TYR 30 Cb -0.16 -2.16 0.07 0.00 -0.11 0.00 0.00 41.96 39.60 1do9 s TYR 30 CO -0.08 -0.16 0.08 0.34 -1.11 0.00 0.00 175.55 174.62 1do9 s ASP 31 N -4.20 2.91 -0.19 2.29 2.15 0.35 -2.48 116.67 117.51 1do9 s ASP 31 Ca 0.49 -0.90 0.16 0.00 0.43 0.00 0.00 52.55 52.72 1do9 s ASP 31 Cb -0.07 -0.45 0.64 0.00 -0.30 0.00 0.00 42.92 42.74 1do9 s ASP 31 CO 0.30 -0.36 1.55 0.18 -0.17 0.00 0.00 175.17 176.68 1do9 n LEU 32 N 5.15 4.59 -0.23 -1.34 4.77 -0.11 -4.66 117.00 125.18 1do9 n LEU 32 Ca -0.07 -2.94 -0.01 0.00 -0.03 0.00 0.00 56.01 52.95 1do9 n LEU 32 Cb 0.46 -0.59 0.10 0.00 -2.33 0.00 0.00 43.42 41.06 1do9 n LEU 32 CO 0.10 0.66 1.08 0.00 -1.33 0.00 0.00 177.39 177.91 1do9 h THR 33 N 2.71 0.95 -0.01 -5.08 1.03 -1.88 0.44 112.91 111.08 1do9 h THR 33 Ca 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 66.41 66.17 1do9 h THR 33 Cb 1.63 0.23 0.00 0.00 -1.07 0.00 0.00 68.15 68.94 1do9 h THR 33 CO 0.32 0.12 -0.01 1.17 -0.01 0.00 0.00 175.52 177.11 1do9 n LYS 34 N -4.80 1.31 0.00 0.00 0.00 -1.26 -3.42 118.16 109.98 1do9 n LYS 34 Ca 0.08 -0.50 0.04 0.00 0.00 0.00 0.00 58.31 57.94 1do9 n LYS 34 Cb 0.18 -1.49 -0.03 0.00 0.00 0.00 0.00 35.03 33.69 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 -0.41 0.00 0.00 5.64 7.35 -0.07 -4.46 117.46 125.51 1do9 n PHE 35 Ca 0.21 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 1do9 n PHE 35 Cb 0.24 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.07 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 -0.90 0.00 0.08 -2.13 4.77 0.14 0.64 117.00 119.59 1do9 n LEU 36 Ca 0.02 0.78 0.10 0.00 -0.03 0.00 0.00 56.01 56.88 1do9 n LEU 36 Cb 0.14 -0.28 0.41 0.00 -2.33 0.00 0.00 43.42 41.36 1do9 n LEU 36 CO 0.14 -0.28 0.80 -1.84 -1.33 0.00 0.00 177.39 174.88 1do9 n GLU 37 N -1.74 0.11 -0.12 3.23 0.28 -1.26 -2.22 120.64 118.93 1do9 n GLU 37 Ca 0.00 0.36 0.10 0.00 -0.16 0.00 0.00 57.16 57.47 1do9 n GLU 37 Cb 0.00 -1.72 0.31 0.00 1.43 0.00 0.00 31.44 31.46 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 -1.94 1.91 -3.29 3.44 -0.58 -0.63 -4.88 120.64 114.67 1do9 n GLU 38 Ca 0.02 -1.37 -0.39 0.00 -0.42 0.00 0.00 57.16 55.00 1do9 n GLU 38 Cb 0.19 -1.40 -0.07 0.00 -0.57 0.00 0.00 31.44 29.59 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 -1.69 3.33 -0.99 -0.32 2.46 0.21 -4.94 115.29 113.34 1do9 s HIS 39 Ca 0.33 0.66 -0.24 0.00 0.47 0.00 0.00 55.06 56.28 1do9 s HIS 39 Cb 0.18 -2.64 -0.04 0.00 -0.13 0.00 0.00 32.58 29.95 1do9 s HIS 39 CO 0.26 -0.15 1.86 -1.25 -2.47 0.00 0.00 174.74 172.99 1do9 s PRO 40 N 1.81 2.77 0.00 2.88 0.04 -1.26 -3.62 135.00 137.61 1do9 s PRO 40 Ca 0.21 -0.67 0.00 0.00 0.04 0.00 0.00 61.00 60.58 1do9 s PRO 40 Cb -0.15 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.22 1do9 s PRO 40 CO 0.09 -3.27 0.00 0.41 0.04 0.00 0.00 177.00 174.27 1do9 n GLY 41 N 6.58 0.06 1.02 0.56 0.00 -1.26 -5.12 105.19 107.03 1do9 n GLY 41 Ca 0.40 0.17 -0.04 0.00 0.00 0.00 0.00 46.02 46.56 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 2.60 0.00 -0.02 0.00 -1.24 -5.08 105.19 101.46 1do9 n GLY 42 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.17 0.01 0.13 1.61 0.28 -1.26 -4.34 120.64 116.90 1do9 n GLU 43 Ca -0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.04 1do9 n GLU 43 Cb 0.17 -0.53 0.48 0.00 1.43 0.00 0.00 31.44 33.00 1do9 n GLU 43 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 1do9 h GLU 44 N 0.00 0.25 -0.50 3.44 9.09 -1.98 0.20 114.58 125.08 1do9 h GLU 44 Ca 0.00 -0.03 -0.09 0.00 0.05 0.00 0.00 59.36 59.29 1do9 h GLU 44 Cb 0.06 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.09 1do9 h GLU 44 CO 0.00 0.24 -0.06 -0.39 0.05 0.00 0.00 179.01 178.85 1do9 h VAL 45 N 0.25 1.26 0.00 -1.06 -1.51 -1.99 0.25 116.25 113.44 1do9 h VAL 45 Ca 0.06 -1.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.38 1do9 h VAL 45 Cb 0.12 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 1do9 h VAL 45 CO -0.00 0.40 0.00 -0.07 -1.23 0.00 0.00 177.57 176.67 1do9 h LEU 46 N 0.80 0.00 0.00 4.19 3.38 -0.92 -2.55 115.31 120.21 1do9 h LEU 46 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1do9 h LEU 46 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1do9 h LEU 46 CO 0.03 0.00 -0.82 -0.09 0.09 0.00 0.00 178.44 177.66 1do9 h ARG 47 N 0.00 0.00 -0.02 1.13 2.43 -0.55 -2.83 114.38 114.53 1do9 h ARG 47 Ca 0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 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 0.00 0.00 -0.78 0.93 -1.51 0.00 0.00 179.97 178.61 1do9 h GLU 48 N 0.00 0.18 -0.05 0.20 5.08 -0.19 -3.06 114.58 116.73 1do9 h GLU 48 Ca 0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1do9 h GLU 48 Cb 0.99 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1do9 h GLU 48 CO 0.00 0.87 0.00 1.04 -1.00 0.00 0.00 179.01 179.92 1do9 n GLN 49 N -3.72 1.40 -1.60 2.33 3.00 -1.23 -4.98 117.38 112.58 1do9 n GLN 49 Ca -0.03 -1.54 -0.42 0.00 -0.01 0.00 0.00 57.00 55.00 1do9 n GLN 49 Cb 0.74 -1.32 0.01 0.00 0.00 0.00 0.00 30.24 29.66 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 0.94 -0.00 -1.51 -1.58 0.00 -1.07 -0.96 120.51 116.33 1do9 n ALA 50 Ca 0.10 0.26 -0.18 0.00 0.00 0.00 0.00 53.44 53.62 1do9 n ALA 50 Cb 0.42 -2.05 -0.08 0.00 0.00 0.00 0.00 19.45 17.75 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 1.23 1.69 2.52 0.00 0.00 0.02 -4.83 105.19 105.82 1do9 n GLY 51 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.25 2.03 3.62 -0.02 0.00 -0.13 -3.61 105.19 106.83 1do9 n GLY 52 Ca -0.18 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 1do9 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1do9 s ASP 53 N -2.54 6.74 0.00 1.61 -1.08 -1.25 -0.62 116.67 119.53 1do9 s ASP 53 Ca 0.18 0.74 0.13 0.00 -0.52 0.00 0.00 52.55 53.08 1do9 s ASP 53 Cb -0.02 -2.46 0.12 0.00 -1.46 0.00 0.00 42.92 39.10 1do9 s ASP 53 CO 0.13 -0.75 0.94 0.00 0.52 0.00 0.00 175.17 176.01 1do9 n ALA 54 N 6.54 2.47 0.23 3.66 0.00 -0.82 -4.57 120.51 128.02 1do9 n ALA 54 Ca 0.07 -0.63 0.07 0.00 0.00 0.00 0.00 53.44 52.95 1do9 n ALA 54 Cb 0.48 -0.46 0.60 0.00 0.00 0.00 0.00 19.45 20.07 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 2.64 1.02 -0.83 0.00 2.02 -1.90 -0.01 112.91 115.86 1do9 h THR 55 Ca 0.00 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1do9 h THR 55 Cb 0.57 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 1do9 h THR 55 CO 0.00 0.03 0.47 -0.33 0.37 0.00 0.00 175.52 176.06 1do9 h GLU 56 N 0.05 1.14 0.27 6.66 5.08 -1.92 -1.08 114.58 124.78 1do9 h GLU 56 Ca 0.01 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1do9 h GLU 56 Cb 0.03 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1do9 h GLU 56 CO -0.00 0.83 -0.13 -0.91 -1.00 0.00 0.00 179.01 177.80 1do9 h ASN 57 N 1.15 -0.30 -1.17 1.42 4.21 -1.37 -0.02 115.58 119.50 1do9 h ASN 57 Ca 0.29 0.01 0.43 0.00 1.21 0.00 0.00 56.30 58.25 1do9 h ASN 57 Cb 0.00 0.08 -0.16 0.00 -1.12 0.00 0.00 38.32 37.13 1do9 h ASN 57 CO -0.05 0.14 0.70 0.15 -1.29 0.00 0.00 177.43 177.08 1do9 h PHE 58 N -1.07 0.69 0.07 1.19 3.04 -1.27 -0.16 116.94 119.44 1do9 h PHE 58 Ca -0.04 0.03 -0.29 0.00 3.98 0.00 0.00 57.97 61.66 1do9 h PHE 58 Cb 0.27 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.60 1do9 h PHE 58 CO 0.00 -0.35 -1.48 0.93 -2.02 0.00 0.00 178.31 175.39 1do9 h GLU 59 N 0.04 0.15 -0.70 1.11 4.39 -1.21 0.64 114.58 119.01 1do9 h GLU 59 Ca 0.85 -0.26 0.19 0.00 0.34 0.00 0.00 59.36 60.47 1do9 h GLU 59 Cb 2.44 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 31.16 1do9 h GLU 59 CO -0.61 0.98 0.49 0.22 -1.16 0.00 0.00 179.01 178.93 1do9 h ASP 60 N 0.04 0.08 0.00 1.42 3.58 0.88 -1.13 116.42 121.29 1do9 h ASP 60 Ca -0.21 0.01 -0.35 0.00 0.42 0.00 0.00 57.03 56.89 1do9 h ASP 60 Cb 1.97 -0.01 -0.07 0.00 1.72 0.00 0.00 39.33 42.94 1do9 h ASP 60 CO 0.14 0.04 -2.32 0.52 -2.88 0.00 0.00 179.24 174.74 1do9 n VAL 61 N -4.37 1.32 0.00 2.25 0.31 -0.94 -5.02 118.33 111.89 1do9 n VAL 61 Ca 0.14 -0.78 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1do9 n VAL 61 Cb 0.72 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 1do9 n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1do9 n GLY 62 N 1.88 3.06 1.16 2.92 0.00 0.21 -4.94 105.19 109.49 1do9 n GLY 62 Ca -0.32 -0.85 0.13 0.00 0.00 0.00 0.00 46.02 44.97 1do9 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1do9 n HIS 63 N 0.00 -2.64 -3.04 1.61 8.25 -1.20 -4.72 115.22 113.48 1do9 n HIS 63 Ca 0.00 1.42 -0.18 0.00 -0.26 0.00 0.00 57.72 58.70 1do9 n HIS 63 Cb 0.00 -2.40 0.03 0.00 1.12 0.00 0.00 29.99 28.73 1do9 n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1do9 s SER 64 N -6.21 5.42 0.35 0.41 0.01 -1.26 -4.99 113.70 107.43 1do9 s SER 64 Ca 0.00 -0.60 0.08 0.00 1.31 0.00 0.00 55.95 56.74 1do9 s SER 64 Cb 0.00 -0.28 0.67 0.00 0.21 0.00 0.00 66.02 66.62 1do9 s SER 64 CO 0.00 -0.99 1.85 0.74 0.41 0.00 0.00 173.24 175.26 1do9 h THR 65 N 0.47 1.21 -0.65 1.44 2.02 -1.98 -2.02 112.91 113.41 1do9 h THR 65 Ca -0.36 -0.97 0.15 0.00 0.77 0.00 0.00 66.41 66.00 1do9 h THR 65 Cb 1.28 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 68.95 1do9 h THR 65 CO 0.44 0.30 0.45 -0.78 0.37 0.00 0.00 175.52 176.30 1do9 h ASP 66 N 0.27 0.19 0.01 4.18 1.82 -2.00 0.44 116.42 121.34 1do9 h ASP 66 Ca 0.05 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.66 1do9 h ASP 66 Cb 0.48 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 40.46 1do9 h ASP 66 CO 0.03 0.10 -0.20 0.00 -1.61 0.00 0.00 179.24 177.56 1do9 h ALA 67 N 1.68 0.02 -1.06 -0.78 0.00 -1.82 -3.25 119.26 114.06 1do9 h ALA 67 Ca 0.31 -0.59 0.28 0.00 0.00 0.00 0.00 54.91 54.91 1do9 h ALA 67 Cb 0.95 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 1do9 h ALA 67 CO -0.06 0.11 0.69 -0.09 0.00 0.00 0.00 179.25 179.89 1do9 h ARG 68 N -0.94 0.34 -0.06 0.00 1.12 -0.46 -0.83 114.38 113.55 1do9 h ARG 68 Ca -0.05 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.79 1do9 h ARG 68 Cb 1.09 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.97 1do9 h ARG 68 CO -0.01 0.23 0.00 0.93 -3.11 0.00 0.00 179.97 178.01 1do9 h GLU 69 N 0.35 0.11 -0.75 0.20 5.08 -1.07 -2.83 114.58 115.67 1do9 h GLU 69 Ca 0.60 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 59.00 1do9 h GLU 69 Cb 1.60 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.80 1do9 h GLU 69 CO -0.29 0.38 0.49 -0.07 -1.00 0.00 0.00 179.01 178.53 1do9 h LEU 70 N -0.18 0.68 -0.92 1.33 -0.00 -1.20 0.14 115.31 115.17 1do9 h LEU 70 Ca 0.02 0.01 0.26 0.00 -0.00 0.00 0.00 57.88 58.16 1do9 h LEU 70 Cb 0.33 -0.14 -0.15 0.00 -0.00 0.00 0.00 40.66 40.70 1do9 h LEU 70 CO 0.00 0.44 0.31 0.28 -0.00 0.00 0.00 178.44 179.47 1do9 h SER 71 N 0.78 0.11 -0.67 -0.43 0.02 -1.14 0.15 113.55 112.37 1do9 h SER 71 Ca 0.33 0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 61.42 1do9 h SER 71 Cb 0.28 0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1do9 h SER 71 CO -0.11 -0.16 0.19 0.50 -1.14 0.00 0.00 176.83 176.10 1do9 h LYS 72 N 0.22 1.07 -0.00 3.45 3.64 -0.63 -0.26 116.57 124.06 1do9 h LYS 72 Ca 0.60 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1do9 h LYS 72 Cb 1.27 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1do9 h LYS 72 CO -0.66 0.93 -0.02 -2.37 -2.27 0.00 0.00 179.45 175.06 1do9 n THR 73 N -4.25 0.00 -0.02 1.00 5.66 0.30 -3.73 114.28 113.25 1do9 n THR 73 Ca 0.05 -0.06 0.03 0.00 -3.05 0.00 0.00 64.05 61.02 1do9 n THR 73 Cb 0.24 -0.24 -0.09 0.00 -1.55 0.00 0.00 70.33 68.68 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 -0.80 0.00 -1.56 1.09 3.72 0.01 -4.89 117.46 115.03 1do9 n PHE 74 Ca 0.20 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.19 1do9 n PHE 74 Cb 0.20 -0.36 -0.04 0.00 -0.94 0.00 0.00 39.48 38.34 1do9 n PHE 74 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1do9 n ILE 75 N -2.06 0.18 0.09 4.37 5.41 -0.19 -0.49 119.36 126.67 1do9 n ILE 75 Ca -0.07 -0.54 0.05 0.00 1.00 0.00 0.00 62.75 63.20 1do9 n ILE 75 Cb 0.47 -2.49 -0.01 0.00 -0.71 0.00 0.00 39.64 36.91 1do9 n ILE 75 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 176.55 176.71 1do9 h ILE 76 N 7.35 0.36 -0.30 1.39 3.07 -1.56 -3.48 117.51 124.34 1do9 h ILE 76 Ca -0.33 -1.62 0.00 0.00 1.55 0.00 0.00 64.86 64.46 1do9 h ILE 76 Cb 1.26 1.94 0.00 0.00 -0.27 0.00 0.00 36.82 39.75 1do9 h ILE 76 CO 1.04 0.20 0.00 0.61 -1.05 0.00 0.00 178.15 178.96 1do9 n GLY 77 N 1.27 0.93 3.34 0.16 0.00 -0.95 -4.36 105.19 105.58 1do9 n GLY 77 Ca -0.03 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 1do9 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1do9 s GLU 78 N 0.49 1.50 0.64 1.61 2.02 -1.26 -1.44 118.70 122.26 1do9 s GLU 78 Ca 0.00 -1.65 -0.17 0.00 0.02 0.00 0.00 54.97 53.17 1do9 s GLU 78 Cb 0.00 0.35 -0.01 0.00 0.10 0.00 0.00 34.13 34.57 1do9 s GLU 78 CO 0.00 -0.56 1.21 -0.51 0.02 0.00 0.00 175.26 175.42 1do9 s LEU 79 N -3.19 3.53 0.91 1.80 2.01 -1.26 -1.27 118.68 121.21 1do9 s LEU 79 Ca 0.35 2.38 -0.13 0.00 0.01 0.00 0.00 54.13 56.74 1do9 s LEU 79 Cb 0.03 -4.59 0.02 0.00 0.01 0.00 0.00 46.19 41.66 1do9 s LEU 79 CO 0.16 -1.85 0.45 1.41 1.01 0.00 0.00 176.35 177.53 1do9 n HIS 80 N -2.02 -1.26 -0.07 0.29 8.25 0.11 -4.64 115.22 115.87 1do9 n HIS 80 Ca 0.14 0.26 -0.13 0.00 -0.26 0.00 0.00 57.72 57.73 1do9 n HIS 80 Cb 0.50 -1.82 -0.06 0.00 1.12 0.00 0.00 29.99 29.73 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 -1.34 0.48 0.00 -0.41 0.13 -1.93 -0.38 132.00 128.55 1do9 h PRO 81 Ca -0.44 -0.23 -0.01 0.00 -0.87 0.00 0.00 66.00 64.45 1do9 h PRO 81 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1do9 h PRO 81 CO 0.36 0.80 -0.04 0.22 -0.23 0.00 0.00 178.00 179.10 1do9 h ASP 82 N 0.16 0.00 -0.41 1.44 3.58 -1.99 -1.64 116.42 117.56 1do9 h ASP 82 Ca 0.04 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.34 1do9 h ASP 82 Cb 0.69 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.65 1do9 h ASP 82 CO 0.04 0.04 0.04 0.47 -2.88 0.00 0.00 179.24 176.96 1do9 n ASP 83 N -3.44 3.25 -0.11 2.28 9.92 -0.73 -4.11 116.55 123.62 1do9 n ASP 83 Ca -0.02 -3.46 -0.15 0.00 -0.53 0.00 0.00 54.79 50.63 1do9 n ASP 83 Cb 0.16 -0.63 -0.11 0.00 -0.64 0.00 0.00 41.12 39.90 1do9 n ASP 83 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1do9 n ARG 84 N -0.85 0.63 -2.02 -1.24 0.63 -0.23 -4.54 116.66 109.05 1do9 n ARG 84 Ca 0.32 0.11 -0.03 0.00 -0.92 0.00 0.00 57.85 57.34 1do9 n ARG 84 Cb 1.07 -1.44 0.04 0.00 0.45 0.00 0.00 32.46 32.58 1do9 n ARG 84 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1do9 n SER 85 N -3.09 -0.60 -1.51 6.15 3.41 -1.26 -4.93 113.62 111.80 1do9 n SER 85 Ca -0.38 -2.09 -0.02 0.00 -0.26 0.00 0.00 58.87 56.12 1do9 n SER 85 Cb 0.94 0.28 -0.01 0.00 -0.26 0.00 0.00 64.21 65.16 1do9 n SER 85 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1do9 n LYS 86 N -0.68 0.29 -1.58 4.33 4.81 -1.26 -5.00 118.16 119.07 1do9 n LYS 86 Ca -0.15 -1.58 -0.39 0.00 -0.87 0.00 0.00 58.31 55.31 1do9 n LYS 86 Cb 0.84 0.14 -0.02 0.00 0.02 0.00 0.00 35.03 36.01 1do9 n LYS 86 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1do9 n LEU 87 N -0.04 8.49 -3.64 3.14 4.77 -1.26 -4.81 117.00 123.64 1do9 n LEU 87 Ca -0.12 -4.58 -0.15 0.00 -0.03 0.00 0.00 56.01 51.13 1do9 n LEU 87 Cb 0.89 -1.48 -0.08 0.00 -2.33 0.00 0.00 43.42 40.42 1do9 n LEU 87 CO -0.09 2.07 0.26 -0.55 -1.33 0.00 0.00 177.39 177.75 1do9 s SER 88 N 1.45 -0.50 -0.22 -1.43 0.15 -1.26 -5.12 113.70 106.77 1do9 s SER 88 Ca 0.64 0.67 -0.29 0.00 0.70 0.00 0.00 55.95 57.66 1do9 s SER 88 Cb 0.18 0.67 -0.03 0.00 -1.71 0.00 0.00 66.02 65.13 1do9 s SER 88 CO -0.07 -0.43 1.59 -1.59 1.20 0.00 0.00 173.24 173.94 1do9 s LYS 89 N -0.76 3.83 0.46 5.44 0.00 -1.26 -5.01 119.74 122.44 1do9 s LYS 89 Ca -0.08 1.66 -0.08 0.00 0.00 0.00 0.00 55.97 57.47 1do9 s LYS 89 Cb -0.03 -4.02 0.11 0.00 0.00 0.00 0.00 37.83 33.89 1do9 s LYS 89 CO 0.05 -1.25 0.51 -0.35 0.00 0.00 0.00 175.35 174.31 1do9 n PRO 90 N 7.60 -1.20 -3.54 1.78 -0.04 -1.26 -5.02 135.00 133.31 1do9 n PRO 90 Ca 0.18 -0.79 -0.41 0.00 -0.04 0.00 0.00 63.50 62.44 1do9 n PRO 90 Cb 0.45 -0.62 -0.08 0.00 -0.04 0.00 0.00 33.50 33.20 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 -4.12 2.54 0.20 0.54 1.75 -1.26 -5.06 119.30 113.89 1do9 s MET 91 Ca 0.30 -1.71 0.03 0.00 -1.25 0.00 0.00 55.69 53.07 1do9 s MET 91 Cb -0.02 -3.93 -0.05 0.00 2.84 0.00 0.00 34.83 33.67 1do9 s MET 91 CO 0.22 -1.16 -0.02 -2.00 -0.65 0.00 0.00 175.02 171.41 1do9 s GLU 92 N 1.39 1.23 -0.00 4.11 2.12 -1.26 -5.17 118.70 121.12 1do9 s GLU 92 Ca 0.05 -1.60 -0.22 0.00 0.36 0.00 0.00 54.97 53.56 1do9 s GLU 92 Cb -0.26 -0.52 0.05 0.00 0.26 0.00 0.00 34.13 33.66 1do9 s GLU 92 CO 0.00 -0.08 0.49 0.99 -0.54 0.00 0.00 175.26 176.12 1do9 s THR 93 N -3.47 0.03 -2.00 -1.70 2.01 -1.26 -5.30 115.64 103.96 1do9 s THR 93 Ca 0.25 -0.27 0.05 0.00 0.31 0.00 0.00 61.69 62.02 1do9 s THR 93 Cb 0.05 -0.88 0.13 0.00 0.01 0.00 0.00 72.50 71.82 1do9 s THR 93 CO 0.06 -0.15 0.74 -0.11 -0.69 0.00 0.00 174.62 174.47