#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 1.02 0.46 0.11 1.02 -1.26 -5.12 119.74 115.97 1do9 s LYS 2 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.13 1do9 s LYS 2 Cb 0.00 0.42 0.00 0.00 -0.52 0.00 0.00 37.83 37.73 1do9 s LYS 2 CO 0.00 -0.38 0.00 -0.25 -0.92 0.00 0.00 175.35 173.80 1do9 n ASP 3 N -0.17 -5.95 0.00 2.83 8.00 -1.26 -5.04 116.55 114.96 1do9 n ASP 3 Ca -0.14 0.93 0.00 0.00 0.71 0.00 0.00 54.79 56.29 1do9 n ASP 3 Cb 0.63 -2.74 0.00 0.00 -0.02 0.00 0.00 41.12 38.99 1do9 n ASP 3 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1do9 n VAL 4 N -2.92 0.00 0.00 2.53 0.31 -1.26 -5.11 118.33 111.89 1do9 n VAL 4 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1do9 n VAL 4 Cb 0.40 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 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 1.36 -2.70 5.55 4.76 -1.26 -5.04 118.16 120.83 1do9 n LYS 5 Ca 0.00 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.23 1do9 n LYS 5 Cb 0.00 -0.69 0.02 0.00 -1.84 0.00 0.00 35.03 32.52 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 -1.15 -1.40 -3.99 2.13 4.01 -1.25 -4.89 117.16 110.63 1do9 n TYR 6 Ca 0.00 0.59 -0.23 0.00 -0.16 0.00 0.00 57.90 58.10 1do9 n TYR 6 Cb 0.19 -1.10 -0.03 0.00 -0.31 0.00 0.00 39.34 38.09 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 -0.95 3.41 -0.05 -0.72 2.02 -0.91 -4.73 117.35 115.41 1do9 s TYR 7 Ca 0.20 0.01 -0.04 0.00 -0.37 0.00 0.00 57.07 56.88 1do9 s TYR 7 Cb -0.02 -1.58 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 1do9 s TYR 7 CO 0.46 0.48 0.14 0.95 -1.57 0.00 0.00 175.55 176.01 1do9 s THR 8 N -1.91 5.28 0.35 -0.71 -4.23 -1.26 -1.33 115.64 111.82 1do9 s THR 8 Ca 0.34 -0.08 0.14 0.00 -1.18 0.00 0.00 61.69 60.90 1do9 s THR 8 Cb -0.10 -3.39 0.34 0.00 1.34 0.00 0.00 72.50 70.70 1do9 s THR 8 CO 0.28 0.45 1.71 -0.07 -0.54 0.00 0.00 174.62 176.45 1do9 h LEU 9 N 4.33 0.57 -0.51 4.79 -0.00 -1.99 0.19 115.31 122.69 1do9 h LEU 9 Ca -0.51 0.14 0.05 0.00 -0.00 0.00 0.00 57.88 57.56 1do9 h LEU 9 Cb 1.20 0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 41.88 1do9 h LEU 9 CO 0.63 0.01 0.26 -0.08 -0.00 0.00 0.00 178.44 179.26 1do9 h GLU 10 N 0.45 0.48 -0.54 1.13 4.57 -1.95 0.53 114.58 119.25 1do9 h GLU 10 Ca 0.67 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.76 1do9 h GLU 10 Cb 1.48 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.94 1do9 h GLU 10 CO -0.48 0.32 0.08 1.49 -1.18 0.00 0.00 179.01 179.24 1do9 h GLU 11 N 0.50 0.89 -0.51 1.92 4.57 -1.04 -2.03 114.58 118.88 1do9 h GLU 11 Ca 0.23 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1do9 h GLU 11 Cb 0.14 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 1do9 h GLU 11 CO -0.16 0.87 0.34 0.82 -1.18 0.00 0.00 179.01 179.70 1do9 h ILE 12 N 0.78 1.13 -0.15 2.32 5.03 -0.79 0.07 117.51 125.89 1do9 h ILE 12 Ca 0.16 -0.24 0.00 0.00 -0.12 0.00 0.00 64.86 64.66 1do9 h ILE 12 Cb 0.41 0.37 0.00 0.00 -3.03 0.00 0.00 36.82 34.58 1do9 h ILE 12 CO 0.01 0.13 0.00 0.29 -0.68 0.00 0.00 178.15 177.90 1do9 n LYS 13 N -4.46 1.47 0.00 2.37 5.02 0.11 -2.93 118.16 119.74 1do9 n LYS 13 Ca 0.05 -0.60 0.00 0.00 -2.02 0.00 0.00 58.31 55.73 1do9 n LYS 13 Cb 0.05 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1do9 n LYS 13 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1do9 n LYS 14 N 0.01 0.36 0.02 1.97 0.00 -0.02 -4.66 118.16 115.83 1do9 n LYS 14 Ca 0.06 -0.69 0.11 0.00 0.00 0.00 0.00 58.31 57.79 1do9 n LYS 14 Cb 0.20 -0.86 -0.08 0.00 0.00 0.00 0.00 35.03 34.29 1do9 n LYS 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1do9 n HIS 15 N -0.14 0.23 -1.29 5.64 8.25 -0.99 -4.77 115.22 122.15 1do9 n HIS 15 Ca 0.00 0.07 -0.40 0.00 -0.26 0.00 0.00 57.72 57.12 1do9 n HIS 15 Cb 0.16 -0.48 -0.06 0.00 1.12 0.00 0.00 29.99 30.73 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 -2.12 2.50 -0.88 0.41 0.23 -1.25 -3.73 115.26 110.42 1do9 n ASN 16 Ca -0.00 -2.67 0.03 0.00 -0.53 0.00 0.00 54.58 51.40 1do9 n ASN 16 Cb 0.49 -1.20 0.03 0.00 -2.08 0.00 0.00 39.78 37.03 1do9 n ASN 16 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1do9 n HIS 17 N 9.09 0.00 0.00 -2.53 1.44 -1.26 -4.98 115.22 116.98 1do9 n HIS 17 Ca 0.48 -0.36 0.00 0.00 -2.01 0.00 0.00 57.72 55.84 1do9 n HIS 17 Cb 0.42 -0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.42 1do9 n HIS 17 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1do9 n SER 18 N 0.04 0.00 -0.86 4.39 2.88 -1.26 -4.61 113.62 114.20 1do9 n SER 18 Ca 0.05 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.58 1do9 n SER 18 Cb 0.88 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.36 1do9 n SER 18 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1do9 n LYS 19 N 0.00 1.20 -1.93 -1.46 4.01 -1.26 -3.25 118.16 115.47 1do9 n LYS 19 Ca 0.00 -0.25 -0.01 0.00 -0.51 0.00 0.00 58.31 57.54 1do9 n LYS 19 Cb 0.00 -1.32 0.03 0.00 -0.51 0.00 0.00 35.03 33.23 1do9 n LYS 19 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1do9 n SER 20 N 0.22 -0.51 -4.51 4.39 7.64 -1.24 -5.06 113.62 114.53 1do9 n SER 20 Ca 0.04 -1.39 -0.23 0.00 1.01 0.00 0.00 58.87 58.30 1do9 n SER 20 Cb 0.47 0.30 -0.18 0.00 -1.01 0.00 0.00 64.21 63.79 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 -0.43 -0.00 -2.96 0.44 -1.04 -1.20 -3.82 114.28 105.27 1do9 n THR 21 Ca -0.08 -0.45 -0.19 0.00 -2.04 0.00 0.00 64.05 61.29 1do9 n THR 21 Cb 0.61 -0.60 0.04 0.00 -1.82 0.00 0.00 70.33 68.57 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 4.73 2.08 -0.03 -1.42 0.52 -1.26 -1.64 118.94 121.91 1do9 s TRP 22 Ca 1.23 -0.51 -0.30 0.00 0.02 0.00 0.00 56.10 56.54 1do9 s TRP 22 Cb -0.72 -2.38 0.11 0.00 -1.15 0.00 0.00 33.47 29.33 1do9 s TRP 22 CO 0.44 -0.90 0.96 -0.48 0.02 0.00 0.00 176.95 176.99 1do9 s LEU 23 N -4.59 -0.31 -0.51 2.99 0.05 -0.46 -1.03 118.68 114.83 1do9 s LEU 23 Ca 0.59 -0.02 -0.15 0.00 0.05 0.00 0.00 54.13 54.60 1do9 s LEU 23 Cb -0.08 1.90 0.11 0.00 -2.05 0.00 0.00 46.19 46.08 1do9 s LEU 23 CO 0.37 -0.56 0.44 -0.63 -0.55 0.00 0.00 176.35 175.43 1do9 s ILE 24 N -2.99 5.04 -0.42 1.48 -1.09 -0.48 -1.81 121.20 120.93 1do9 s ILE 24 Ca 0.06 -1.43 -0.16 0.00 -2.23 0.00 0.00 60.65 56.89 1do9 s ILE 24 Cb -0.01 -4.18 0.03 0.00 -1.58 0.00 0.00 42.46 36.72 1do9 s ILE 24 CO -0.08 -0.77 0.34 -0.76 -1.23 0.00 0.00 174.94 172.44 1do9 s LEU 25 N 1.57 5.11 0.29 2.97 1.43 -1.23 -2.01 118.68 126.81 1do9 s LEU 25 Ca 0.04 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.24 1do9 s LEU 25 Cb -0.28 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1do9 s LEU 25 CO 0.03 -0.50 0.00 1.41 0.23 0.00 0.00 176.35 177.52 1do9 n HIS 26 N 5.27 -2.85 0.00 0.29 8.25 -1.26 -3.64 115.22 121.27 1do9 n HIS 26 Ca -0.10 1.44 0.00 0.00 -0.26 0.00 0.00 57.72 58.80 1do9 n HIS 26 Cb 0.47 -2.59 0.00 0.00 1.12 0.00 0.00 29.99 28.99 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 -3.64 0.00 -4.15 4.41 1.44 -1.26 -4.60 115.22 107.43 1do9 n HIS 27 Ca -0.00 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.55 1do9 n HIS 27 Cb 0.52 -0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.51 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 -0.34 0.77 -0.13 -1.40 3.01 -1.24 -3.77 119.74 116.64 1do9 s LYS 28 Ca 0.00 -0.98 -0.11 0.00 -1.01 0.00 0.00 55.97 53.87 1do9 s LYS 28 Cb 0.00 -0.62 -0.05 0.00 -1.01 0.00 0.00 37.83 36.15 1do9 s LYS 28 CO 0.00 0.12 0.23 0.08 0.51 0.00 0.00 175.35 176.30 1do9 s VAL 29 N -1.65 5.34 0.09 3.17 1.01 -0.52 -3.55 120.40 124.29 1do9 s VAL 29 Ca -0.01 0.42 0.08 0.00 0.00 0.00 0.00 61.98 62.47 1do9 s VAL 29 Cb -0.08 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1do9 s VAL 29 CO 0.01 0.49 -0.21 -0.31 0.00 0.00 0.00 175.10 175.08 1do9 s TYR 30 N -0.20 1.80 -0.19 5.22 2.02 -0.75 -1.70 117.35 123.56 1do9 s TYR 30 Ca 0.15 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.45 1do9 s TYR 30 Cb -0.13 -1.01 0.04 0.00 -0.40 0.00 0.00 41.96 40.46 1do9 s TYR 30 CO 0.04 0.18 -0.09 0.34 -1.57 0.00 0.00 175.55 174.45 1do9 s ASP 31 N -1.73 3.28 -0.21 2.29 -1.08 0.21 -1.35 116.67 118.08 1do9 s ASP 31 Ca 0.07 -0.84 0.12 0.00 -0.52 0.00 0.00 52.55 51.37 1do9 s ASP 31 Cb -0.10 -1.17 0.42 0.00 -1.46 0.00 0.00 42.92 40.61 1do9 s ASP 31 CO 0.04 -0.15 1.25 0.18 0.52 0.00 0.00 175.17 177.01 1do9 n LEU 32 N 4.72 2.90 0.31 -1.34 4.77 -0.65 -4.57 117.00 123.14 1do9 n LEU 32 Ca -0.14 -3.80 -0.16 0.00 -0.03 0.00 0.00 56.01 51.88 1do9 n LEU 32 Cb 0.47 -0.54 -0.08 0.00 -2.33 0.00 0.00 43.42 40.94 1do9 n LEU 32 CO 0.19 1.31 0.54 0.74 -1.33 0.00 0.00 177.39 178.85 1do9 h THR 33 N 0.91 0.33 0.00 -5.08 2.02 -1.89 0.48 112.91 109.69 1do9 h THR 33 Ca 0.03 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1do9 h THR 33 Cb 1.10 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1do9 h THR 33 CO 0.06 0.03 0.00 1.17 0.37 0.00 0.00 175.52 177.15 1do9 n LYS 34 N -5.37 0.76 0.00 6.66 0.00 -1.26 -2.14 118.16 116.81 1do9 n LYS 34 Ca -0.12 0.00 0.07 0.00 0.00 0.00 0.00 58.31 58.26 1do9 n LYS 34 Cb 0.35 -1.41 -0.01 0.00 0.00 0.00 0.00 35.03 33.95 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 -0.91 0.00 -0.27 5.64 7.35 -0.68 -4.52 117.46 124.07 1do9 n PHE 35 Ca 0.15 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.98 1do9 n PHE 35 Cb 0.07 0.00 0.41 0.00 0.35 0.00 0.00 39.48 40.31 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 1.37 0.59 -2.97 -2.13 3.38 0.45 0.55 115.31 116.55 1do9 h LEU 36 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1do9 h LEU 36 Cb 0.47 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1do9 h LEU 36 CO 0.00 0.27 0.00 -0.62 0.09 0.00 0.00 178.44 178.18 1do9 n GLU 37 N -4.57 3.81 -0.00 1.13 1.02 -1.26 -4.18 120.64 116.58 1do9 n GLU 37 Ca 0.19 -2.64 0.03 0.00 -0.02 0.00 0.00 57.16 54.72 1do9 n GLU 37 Cb 0.56 -1.96 -0.04 0.00 -0.02 0.00 0.00 31.44 29.98 1do9 n GLU 37 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1do9 n GLU 38 N 0.84 0.57 -0.77 3.49 1.02 0.14 -5.03 120.64 120.90 1do9 n GLU 38 Ca 0.24 -0.05 -0.31 0.00 -0.02 0.00 0.00 57.16 57.02 1do9 n GLU 38 Cb 0.91 -1.10 0.16 0.00 -0.02 0.00 0.00 31.44 31.39 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 -2.31 1.70 0.21 -0.32 2.46 -0.94 -4.93 115.29 111.16 1do9 s HIS 39 Ca -0.02 1.77 0.08 0.00 0.47 0.00 0.00 55.06 57.36 1do9 s HIS 39 Cb 0.04 -3.33 0.13 0.00 -0.13 0.00 0.00 32.58 29.28 1do9 s HIS 39 CO 0.23 -2.73 1.48 -1.00 -2.47 0.00 0.00 174.74 170.24 1do9 h PRO 40 N -1.76 0.04 0.00 2.88 0.13 -1.95 -3.41 132.00 127.94 1do9 h PRO 40 Ca -0.43 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1do9 h PRO 40 Cb 1.27 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1do9 h PRO 40 CO 0.43 0.79 0.00 0.41 -0.23 0.00 0.00 178.00 179.39 1do9 n GLY 41 N 0.67 0.66 3.37 1.56 0.00 -1.26 -5.12 105.19 105.07 1do9 n GLY 41 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 1.45 0.00 -0.02 0.00 -1.26 -4.95 107.32 102.53 1do9 s GLY 42 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1do9 s GLY 42 CO 0.00 -0.56 0.00 -1.84 0.00 0.00 0.00 173.10 170.70 1do9 n GLU 43 N 2.90 0.00 -0.07 2.90 -0.00 -1.26 -4.50 120.64 120.61 1do9 n GLU 43 Ca -0.18 0.00 -0.07 0.00 -0.00 0.00 0.00 57.16 56.92 1do9 n GLU 43 Cb 0.52 -0.41 0.12 0.00 -0.00 0.00 0.00 31.44 31.67 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 0.00 0.73 -1.00 3.44 4.57 -1.92 -0.42 114.58 119.98 1do9 h GLU 44 Ca 0.00 -0.28 0.13 0.00 -1.18 0.00 0.00 59.36 58.03 1do9 h GLU 44 Cb 0.56 -0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 29.02 1do9 h GLU 44 CO 0.00 0.87 0.63 -0.39 -1.18 0.00 0.00 179.01 178.94 1do9 h VAL 45 N 0.64 0.89 0.00 0.32 -1.51 -1.96 0.34 116.25 114.98 1do9 h VAL 45 Ca 0.09 -0.33 -0.03 0.00 -1.23 0.00 0.00 66.70 65.21 1do9 h VAL 45 Cb 0.69 -0.15 -0.00 0.00 -2.13 0.00 0.00 31.29 29.70 1do9 h VAL 45 CO 0.05 0.17 -0.14 -0.07 -1.23 0.00 0.00 177.57 176.36 1do9 h LEU 46 N 0.96 0.00 0.00 4.19 3.38 -1.39 -2.31 115.31 120.14 1do9 h LEU 46 Ca 0.50 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.33 1do9 h LEU 46 Cb 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1do9 h LEU 46 CO -0.27 0.14 -0.90 0.03 0.09 0.00 0.00 178.44 177.53 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 3.08 -0.51 -2.42 114.38 115.66 1do9 h ARG 47 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1do9 h ARG 47 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1do9 h ARG 47 CO 0.02 0.51 0.00 0.93 -1.07 0.00 0.00 179.97 180.36 1do9 h GLU 48 N 0.00 0.00 0.00 0.04 4.39 0.09 -2.73 114.58 116.36 1do9 h GLU 48 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1do9 h GLU 48 Cb 1.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.18 1do9 h GLU 48 CO 0.07 0.00 -0.00 1.04 -1.16 0.00 0.00 179.01 178.96 1do9 n GLN 49 N -3.01 2.70 -1.71 2.33 1.13 -1.14 -5.00 117.38 112.69 1do9 n GLN 49 Ca 0.01 -1.62 -0.43 0.00 -1.94 0.00 0.00 57.00 53.02 1do9 n GLN 49 Cb 0.34 -1.05 -0.02 0.00 0.11 0.00 0.00 30.24 29.62 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 -0.61 1.75 -1.47 -1.58 0.00 -0.91 -0.89 120.51 116.80 1do9 n ALA 50 Ca 0.02 0.39 -0.17 0.00 0.00 0.00 0.00 53.44 53.68 1do9 n ALA 50 Cb 0.31 -2.35 -0.07 0.00 0.00 0.00 0.00 19.45 17.34 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 1.90 1.57 3.28 0.00 0.00 -0.19 -4.90 105.19 106.85 1do9 n GLY 51 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.51 2.28 -0.62 -0.02 0.00 -0.06 -4.38 107.32 102.01 1do9 s GLY 52 Ca 0.00 -2.03 -0.28 0.00 0.00 0.00 0.00 44.72 42.41 1do9 s GLY 52 CO 0.00 -1.48 1.19 -0.35 0.00 0.00 0.00 173.10 172.47 1do9 s ASP 53 N -3.36 6.36 0.00 1.64 -1.08 -1.26 -1.38 116.67 117.58 1do9 s ASP 53 Ca 0.40 -0.09 0.26 0.00 -0.52 0.00 0.00 52.55 52.60 1do9 s ASP 53 Cb 0.03 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.52 1do9 s ASP 53 CO 0.26 -1.55 1.46 0.00 0.52 0.00 0.00 175.17 175.86 1do9 n ALA 54 N 8.60 2.90 -0.18 3.66 0.00 -0.85 -4.47 120.51 130.16 1do9 n ALA 54 Ca 0.06 -0.52 0.03 0.00 0.00 0.00 0.00 53.44 53.01 1do9 n ALA 54 Cb 0.49 -1.01 0.31 0.00 0.00 0.00 0.00 19.45 19.24 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 2.50 1.11 -0.36 0.00 2.02 -1.89 -0.75 112.91 115.54 1do9 h THR 55 Ca 0.00 -0.30 0.07 0.00 0.77 0.00 0.00 66.41 66.95 1do9 h THR 55 Cb 0.65 0.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 1do9 h THR 55 CO 0.00 0.16 -0.02 -0.33 0.37 0.00 0.00 175.52 175.70 1do9 h GLU 56 N 0.87 0.07 0.27 6.66 4.39 -1.95 -1.08 114.58 123.81 1do9 h GLU 56 Ca 0.28 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 1do9 h GLU 56 Cb 0.05 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1do9 h GLU 56 CO -0.08 0.05 -0.13 -0.91 -1.16 0.00 0.00 179.01 176.78 1do9 h ASN 57 N 0.07 -0.31 -1.14 1.42 4.21 -1.51 -1.20 115.58 117.14 1do9 h ASN 57 Ca 0.17 -0.21 0.34 0.00 1.21 0.00 0.00 56.30 57.82 1do9 h ASN 57 Cb 0.25 0.08 -0.12 0.00 -1.12 0.00 0.00 38.32 37.41 1do9 h ASN 57 CO -0.31 0.08 0.72 0.15 -1.29 0.00 0.00 177.43 176.77 1do9 h PHE 58 N -0.74 0.65 0.14 1.19 3.57 -0.99 0.18 116.94 120.95 1do9 h PHE 58 Ca -0.04 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.29 1do9 h PHE 58 Cb 0.49 -0.18 0.02 0.00 2.79 0.00 0.00 35.95 39.08 1do9 h PHE 58 CO 0.03 -0.08 -0.92 0.93 -2.23 0.00 0.00 178.31 176.05 1do9 h GLU 59 N 0.27 0.30 -0.98 1.11 4.39 -1.13 -3.22 114.58 115.32 1do9 h GLU 59 Ca 0.70 -0.51 0.06 0.00 0.34 0.00 0.00 59.36 59.96 1do9 h GLU 59 Cb 1.93 0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 30.70 1do9 h GLU 59 CO -0.39 1.24 0.63 0.22 -1.16 0.00 0.00 179.01 179.55 1do9 h ASP 60 N -0.36 1.00 -0.85 1.42 1.82 0.15 -0.34 116.42 119.26 1do9 h ASP 60 Ca -0.17 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.47 1do9 h ASP 60 Cb 1.67 -0.20 -0.04 0.00 0.68 0.00 0.00 39.33 41.44 1do9 h ASP 60 CO 0.14 0.64 0.48 0.58 -1.61 0.00 0.00 179.24 179.46 1do9 h VAL 61 N 1.14 1.25 -0.23 2.25 2.07 -1.17 -3.47 116.25 118.08 1do9 h VAL 61 Ca 0.42 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1do9 h VAL 61 Cb 0.17 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1do9 h VAL 61 CO -0.17 0.28 0.00 0.61 0.02 0.00 0.00 177.57 178.30 1do9 n GLY 62 N -1.17 0.72 3.41 2.17 0.00 -0.14 -4.97 105.19 105.21 1do9 n GLY 62 Ca 0.09 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.15 -0.86 -1.18 1.61 8.25 -1.24 -4.97 115.22 113.69 1do9 n HIS 63 Ca 0.00 0.63 -0.30 0.00 -0.26 0.00 0.00 57.72 57.79 1do9 n HIS 63 Cb 0.42 -1.94 0.14 0.00 1.12 0.00 0.00 29.99 29.73 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 -0.96 3.48 0.31 0.41 0.01 -1.26 -4.87 113.70 110.82 1do9 s SER 64 Ca 0.62 1.54 0.06 0.00 1.31 0.00 0.00 55.95 59.47 1do9 s SER 64 Cb -0.63 -2.21 0.51 0.00 0.21 0.00 0.00 66.02 63.90 1do9 s SER 64 CO 0.59 -2.64 1.75 0.74 0.41 0.00 0.00 173.24 174.10 1do9 h THR 65 N -1.55 1.27 -0.39 1.44 2.02 -1.99 -1.86 112.91 111.85 1do9 h THR 65 Ca -0.49 -1.27 -0.00 0.00 0.77 0.00 0.00 66.41 65.42 1do9 h THR 65 Cb 1.28 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 69.13 1do9 h THR 65 CO 0.54 0.39 0.23 0.44 0.37 0.00 0.00 175.52 177.49 1do9 h ASP 66 N 0.29 0.46 0.01 4.18 3.32 -2.00 0.14 116.42 122.83 1do9 h ASP 66 Ca 0.04 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 1do9 h ASP 66 Cb 0.66 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 1do9 h ASP 66 CO 0.05 0.36 -0.53 0.00 -1.72 0.00 0.00 179.24 177.40 1do9 h ALA 67 N 1.72 0.71 -0.10 3.45 0.00 -1.74 -1.76 119.26 121.54 1do9 h ALA 67 Ca 0.14 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1do9 h ALA 67 Cb -0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1do9 h ALA 67 CO -0.03 0.68 0.13 -0.09 0.00 0.00 0.00 179.25 179.95 1do9 h ARG 68 N 0.44 0.00 0.04 0.00 9.65 0.01 -3.21 114.38 121.31 1do9 h ARG 68 Ca 0.01 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 58.68 1do9 h ARG 68 Cb 1.07 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.63 1do9 h ARG 68 CO 0.10 0.00 -1.12 0.93 2.80 0.00 0.00 179.97 182.68 1do9 h GLU 69 N 0.00 0.09 -0.81 0.20 5.08 -0.54 -3.37 114.58 115.23 1do9 h GLU 69 Ca 0.05 -0.15 0.18 0.00 -1.00 0.00 0.00 59.36 58.45 1do9 h GLU 69 Cb 0.31 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1do9 h GLU 69 CO -0.00 1.07 0.55 -0.07 -1.00 0.00 0.00 179.01 179.56 1do9 h LEU 70 N -0.74 0.32 -0.86 1.33 3.38 -1.38 0.29 115.31 117.65 1do9 h LEU 70 Ca -0.28 0.03 0.17 0.00 0.09 0.00 0.00 57.88 57.89 1do9 h LEU 70 Cb 1.42 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 42.04 1do9 h LEU 70 CO -0.08 0.14 0.42 0.77 0.09 0.00 0.00 178.44 179.79 1do9 h SER 71 N 0.33 0.47 -0.09 -0.43 4.64 -1.71 -0.60 113.55 116.15 1do9 h SER 71 Ca 0.41 0.11 0.03 0.00 -0.47 0.00 0.00 61.79 61.86 1do9 h SER 71 Cb 1.09 0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1do9 h SER 71 CO -0.12 0.16 0.10 0.50 -0.87 0.00 0.00 176.83 176.60 1do9 h LYS 72 N 0.56 0.00 0.00 4.77 1.63 -0.57 0.30 116.57 123.25 1do9 h LYS 72 Ca 0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.29 1do9 h LYS 72 Cb 0.77 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1do9 h LYS 72 CO -0.41 0.00 -0.51 0.25 -3.45 0.00 0.00 179.45 175.33 1do9 n THR 73 N -3.88 0.35 0.49 1.00 -2.24 -0.25 -3.86 114.28 105.89 1do9 n THR 73 Ca -0.01 -0.25 0.10 0.00 -2.27 0.00 0.00 64.05 61.63 1do9 n THR 73 Cb 0.21 -0.17 -0.14 0.00 -2.10 0.00 0.00 70.33 68.13 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 -2.07 0.00 -1.69 4.78 3.72 0.80 -4.95 117.46 118.05 1do9 n PHE 74 Ca 0.04 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.01 1do9 n PHE 74 Cb 0.43 -0.23 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 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 -1.84 0.30 -0.16 4.37 5.41 0.32 -0.62 119.36 127.14 1do9 n ILE 75 Ca 0.00 -0.05 0.04 0.00 1.00 0.00 0.00 62.75 63.73 1do9 n ILE 75 Cb 0.43 -2.05 0.10 0.00 -0.71 0.00 0.00 39.64 37.41 1do9 n ILE 75 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1do9 n ILE 76 N 4.54 1.07 -1.78 1.39 -6.64 -0.69 -4.89 119.36 112.35 1do9 n ILE 76 Ca 0.18 -1.06 0.00 0.00 -1.77 0.00 0.00 62.75 60.10 1do9 n ILE 76 Cb 0.36 0.46 0.00 0.00 -1.44 0.00 0.00 39.64 39.02 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 0.05 -0.36 3.32 3.28 0.00 -1.23 -4.63 105.19 105.62 1do9 n GLY 77 Ca 0.08 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.93 1.27 0.76 1.61 2.02 -1.26 -1.43 118.70 119.74 1do9 s GLU 78 Ca 0.00 -1.58 -0.15 0.00 0.02 0.00 0.00 54.97 53.26 1do9 s GLU 78 Cb 0.00 -0.90 0.05 0.00 0.10 0.00 0.00 34.13 33.38 1do9 s GLU 78 CO 0.00 0.10 1.15 1.28 0.02 0.00 0.00 175.26 177.81 1do9 n LEU 79 N -0.35 4.42 -4.46 1.80 7.99 -1.25 -2.14 117.00 123.02 1do9 n LEU 79 Ca -0.08 0.64 -0.41 0.00 -0.01 0.00 0.00 56.01 56.15 1do9 n LEU 79 Cb 0.61 -1.49 0.01 0.00 -0.11 0.00 0.00 43.42 42.44 1do9 n LEU 79 CO 0.35 -1.68 0.08 1.41 -1.51 0.00 0.00 177.39 176.04 1do9 n HIS 80 N -2.88 -0.46 0.07 -1.77 8.25 -0.44 -4.71 115.22 113.27 1do9 n HIS 80 Ca 0.14 0.59 -0.04 0.00 -0.26 0.00 0.00 57.72 58.15 1do9 n HIS 80 Cb 0.50 -1.99 0.17 0.00 1.12 0.00 0.00 29.99 29.78 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 0.79 0.29 0.00 -0.41 0.13 -1.91 -1.50 132.00 129.39 1do9 h PRO 81 Ca -0.41 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1do9 h PRO 81 Cb 1.40 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1do9 h PRO 81 CO 0.51 0.71 -0.13 -0.25 -0.23 0.00 0.00 178.00 178.61 1do9 n ASP 82 N -3.97 0.15 0.30 1.44 8.00 -1.26 -3.65 116.55 117.55 1do9 n ASP 82 Ca -0.02 0.30 0.19 0.00 0.71 0.00 0.00 54.79 55.98 1do9 n ASP 82 Cb 0.53 -0.31 0.87 0.00 -0.02 0.00 0.00 41.12 42.20 1do9 n ASP 82 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1do9 h ASP 83 N 0.00 0.00 -0.91 -2.24 3.58 -1.60 0.89 116.42 116.13 1do9 h ASP 83 Ca 0.00 0.00 0.22 0.00 0.42 0.00 0.00 57.03 57.67 1do9 h ASP 83 Cb 0.51 0.00 -0.12 0.00 1.72 0.00 0.00 39.33 41.43 1do9 h ASP 83 CO 0.00 0.00 0.42 -0.09 -2.88 0.00 0.00 179.24 176.69 1do9 h ARG 84 N 0.00 0.42 0.00 0.28 2.43 -1.67 -3.36 114.38 112.48 1do9 h ARG 84 Ca 0.00 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1do9 h ARG 84 Cb 0.33 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 1do9 h ARG 84 CO 0.00 0.28 -0.12 0.45 -1.51 0.00 0.00 179.97 179.06 1do9 n SER 85 N -5.02 -0.47 0.09 -3.80 2.88 -1.21 -5.07 113.62 101.02 1do9 n SER 85 Ca 0.23 -0.99 0.00 0.00 -1.33 0.00 0.00 58.87 56.77 1do9 n SER 85 Cb 0.66 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 1do9 n SER 85 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1do9 n LYS 86 N -0.14 0.00 -3.72 -1.46 4.81 0.16 -5.06 118.16 112.75 1do9 n LYS 86 Ca -0.11 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.11 1do9 n LYS 86 Cb 0.49 -0.30 0.03 0.00 0.02 0.00 0.00 35.03 35.27 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 -3.48 -3.06 -3.52 3.14 4.77 -0.32 -4.99 117.00 109.53 1do9 n LEU 87 Ca 0.00 -0.82 -0.12 0.00 -0.03 0.00 0.00 56.01 55.04 1do9 n LEU 87 Cb 0.00 -2.65 -0.04 0.00 -2.33 0.00 0.00 43.42 38.41 1do9 n LEU 87 CO 0.00 0.41 0.30 -0.55 -1.33 0.00 0.00 177.39 176.22 1do9 s SER 88 N -4.31 -0.44 -0.48 -1.43 0.15 -1.26 -5.07 113.70 100.86 1do9 s SER 88 Ca 0.04 -0.04 0.05 0.00 0.70 0.00 0.00 55.95 56.70 1do9 s SER 88 Cb -0.02 0.54 0.19 0.00 -1.71 0.00 0.00 66.02 65.02 1do9 s SER 88 CO 0.81 -0.87 0.44 0.29 1.20 0.00 0.00 173.24 175.11 1do9 n LYS 89 N -0.13 0.76 -1.46 5.44 4.76 -1.26 -4.99 118.16 121.29 1do9 n LYS 89 Ca -0.17 -3.53 -0.30 0.00 -2.87 0.00 0.00 58.31 51.44 1do9 n LYS 89 Cb 0.63 -1.73 0.23 0.00 -1.84 0.00 0.00 35.03 32.33 1do9 n LYS 89 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1do9 s PRO 90 N -0.66 -0.71 0.08 1.97 0.04 -1.26 -5.11 135.00 129.35 1do9 s PRO 90 Ca 0.32 -0.34 0.03 0.00 0.04 0.00 0.00 61.00 61.05 1do9 s PRO 90 Cb 0.06 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.88 1do9 s PRO 90 CO -0.16 -3.33 -0.08 1.41 0.04 0.00 0.00 177.00 174.88 1do9 s MET 91 N -5.71 0.76 0.22 4.56 1.75 -1.26 -5.17 119.30 114.45 1do9 s MET 91 Ca 0.74 -1.12 -0.10 0.00 -1.25 0.00 0.00 55.69 53.96 1do9 s MET 91 Cb -0.05 -0.36 -0.01 0.00 2.84 0.00 0.00 34.83 37.24 1do9 s MET 91 CO 0.55 0.04 0.39 -1.83 -0.65 0.00 0.00 175.02 173.51 1do9 s GLU 92 N -2.84 1.41 0.20 4.11 4.04 -1.26 -5.19 118.70 119.17 1do9 s GLU 92 Ca 0.04 -1.28 -0.23 0.00 0.04 0.00 0.00 54.97 53.53 1do9 s GLU 92 Cb -0.02 0.42 0.05 0.00 0.02 0.00 0.00 34.13 34.60 1do9 s GLU 92 CO -0.01 -0.56 0.81 -0.08 -1.84 0.00 0.00 175.26 173.58 1do9 s THR 93 N -4.03 0.00 -2.00 1.83 -1.32 -1.26 -5.36 115.64 103.51 1do9 s THR 93 Ca 0.24 -0.70 0.02 0.00 -1.21 0.00 0.00 61.69 60.04 1do9 s THR 93 Cb 0.01 -1.82 0.05 0.00 -1.51 0.00 0.00 72.50 69.23 1do9 s THR 93 CO 0.07 0.00 0.59 -0.11 -2.21 0.00 0.00 174.62 172.96