#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1do9 h LYS 2 N 0.00 0.98 0.00 -1.24 6.56 -2.10 -3.43 116.57 117.34 1do9 h LYS 2 Ca 0.00 -0.37 -0.40 0.00 -1.06 0.00 0.00 60.65 58.82 1do9 h LYS 2 Cb 0.00 -0.06 0.19 0.00 -0.57 0.00 0.00 32.23 31.79 1do9 h LYS 2 CO 0.00 1.04 0.15 -3.47 -2.06 0.00 0.00 179.45 175.11 1do9 n ASP 3 N -4.19 -1.82 0.00 0.86 -0.08 -1.26 -5.11 116.55 104.96 1do9 n ASP 3 Ca 0.01 -1.20 0.00 0.00 -1.51 0.00 0.00 54.79 52.09 1do9 n ASP 3 Cb 0.40 -0.99 0.00 0.00 2.34 0.00 0.00 41.12 42.86 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 -4.71 0.00 -3.62 5.18 0.31 -1.26 -5.12 118.33 109.11 1do9 n VAL 4 Ca 0.15 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.25 1do9 n VAL 4 Cb 0.58 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.34 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 4.41 0.04 -0.32 5.55 3.01 -1.26 -4.99 119.74 126.17 1do9 s LYS 5 Ca 0.00 0.08 0.00 0.00 -1.01 0.00 0.00 55.97 55.04 1do9 s LYS 5 Cb 0.00 -1.41 0.08 0.00 -1.01 0.00 0.00 37.83 35.49 1do9 s LYS 5 CO 0.00 -0.57 0.03 0.71 0.51 0.00 0.00 175.35 176.03 1do9 s TYR 6 N 2.17 3.46 0.14 3.18 1.51 -1.26 -0.56 117.35 125.98 1do9 s TYR 6 Ca 0.03 -2.36 0.07 0.00 -1.01 0.00 0.00 57.07 53.80 1do9 s TYR 6 Cb -0.15 -2.50 -0.04 0.00 -0.11 0.00 0.00 41.96 39.16 1do9 s TYR 6 CO -0.08 -0.89 -0.05 0.71 -1.11 0.00 0.00 175.55 174.14 1do9 s TYR 7 N 1.11 2.80 0.22 2.71 2.02 -0.96 -4.87 117.35 120.37 1do9 s TYR 7 Ca 0.01 -0.14 -0.02 0.00 -0.37 0.00 0.00 57.07 56.54 1do9 s TYR 7 Cb -0.20 -1.41 -0.05 0.00 -0.40 0.00 0.00 41.96 39.90 1do9 s TYR 7 CO -0.04 0.48 0.43 0.95 -1.57 0.00 0.00 175.55 175.80 1do9 s THR 8 N -1.50 5.15 0.25 -0.71 -4.23 -1.26 -1.04 115.64 112.30 1do9 s THR 8 Ca 0.25 -0.19 -0.03 0.00 -1.18 0.00 0.00 61.69 60.54 1do9 s THR 8 Cb -0.10 -3.72 0.23 0.00 1.34 0.00 0.00 72.50 70.25 1do9 s THR 8 CO 0.17 -0.18 1.72 -0.07 -0.54 0.00 0.00 174.62 175.71 1do9 h LEU 9 N 2.04 0.26 -0.71 4.79 -0.00 -1.98 0.22 115.31 119.92 1do9 h LEU 9 Ca -0.48 0.12 0.13 0.00 -0.00 0.00 0.00 57.88 57.65 1do9 h LEU 9 Cb 1.19 0.10 -0.09 0.00 -0.00 0.00 0.00 40.66 41.86 1do9 h LEU 9 CO 0.68 0.08 0.27 -0.33 -0.00 0.00 0.00 178.44 179.14 1do9 h GLU 10 N 0.42 0.41 -0.29 1.13 5.08 -1.97 -0.23 114.58 119.13 1do9 h GLU 10 Ca 0.44 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.74 1do9 h GLU 10 Cb 0.69 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1do9 h GLU 10 CO -0.43 0.27 0.05 1.49 -1.00 0.00 0.00 179.01 179.38 1do9 h GLU 11 N 0.42 0.49 -0.46 2.33 4.57 -0.99 -2.53 114.58 118.41 1do9 h GLU 11 Ca 0.38 -0.13 0.02 0.00 -1.18 0.00 0.00 59.36 58.45 1do9 h GLU 11 Cb 0.56 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 1do9 h GLU 11 CO -0.39 0.60 0.30 0.82 -1.18 0.00 0.00 179.01 179.16 1do9 h ILE 12 N 0.31 1.07 0.00 2.32 5.03 -0.48 0.16 117.51 125.92 1do9 h ILE 12 Ca 0.09 -0.19 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 1do9 h ILE 12 Cb 0.35 0.48 0.00 0.00 -3.03 0.00 0.00 36.82 34.61 1do9 h ILE 12 CO 0.01 0.10 0.00 0.29 -0.68 0.00 0.00 178.15 177.86 1do9 n LYS 13 N -4.47 0.74 -0.00 2.37 5.02 -0.17 -1.70 118.16 119.95 1do9 n LYS 13 Ca 0.05 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.41 1do9 n LYS 13 Cb 0.12 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.55 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 -0.98 1.68 -0.20 1.97 4.81 0.03 -4.32 118.16 121.15 1do9 n LYS 14 Ca 0.17 -0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.71 1do9 n LYS 14 Cb 0.08 -1.26 0.27 0.00 0.02 0.00 0.00 35.03 34.14 1do9 n LYS 14 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1do9 n HIS 15 N -1.39 0.52 -2.58 5.64 8.25 -0.69 -4.69 115.22 120.28 1do9 n HIS 15 Ca 0.03 -0.26 -0.42 0.00 -0.26 0.00 0.00 57.72 56.81 1do9 n HIS 15 Cb 0.25 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.35 1do9 n HIS 15 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1do9 s ASN 16 N -1.32 6.65 0.18 0.41 2.47 -1.24 -3.13 114.94 118.95 1do9 s ASN 16 Ca 0.37 -1.89 0.00 0.00 0.42 0.00 0.00 52.86 51.76 1do9 s ASN 16 Cb 0.20 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.43 1do9 s ASN 16 CO 0.28 -1.35 0.00 1.41 -3.72 0.00 0.00 177.10 173.72 1do9 n HIS 17 N 8.61 -1.53 0.00 0.43 8.25 -1.26 -4.98 115.22 124.75 1do9 n HIS 17 Ca 0.39 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 58.12 1do9 n HIS 17 Cb 0.49 0.50 0.00 0.00 1.12 0.00 0.00 29.99 32.09 1do9 n HIS 17 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1do9 n SER 18 N -3.16 0.00 -0.11 0.41 7.64 -1.26 -4.95 113.62 112.19 1do9 n SER 18 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 58.87 59.95 1do9 n SER 18 Cb 0.00 0.00 0.38 0.00 -1.01 0.00 0.00 64.21 63.58 1do9 n SER 18 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1do9 n LYS 19 N 0.00 1.15 -0.75 1.43 2.85 -1.26 -3.21 118.16 118.36 1do9 n LYS 19 Ca 0.00 -0.22 -0.01 0.00 -1.05 0.00 0.00 58.31 57.03 1do9 n LYS 19 Cb 0.00 -1.24 -0.01 0.00 -0.65 0.00 0.00 35.03 33.13 1do9 n LYS 19 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1do9 n SER 20 N -0.50 -0.06 -3.57 -5.58 7.64 -1.26 -4.99 113.62 105.30 1do9 n SER 20 Ca 0.11 -1.62 -0.15 0.00 1.01 0.00 0.00 58.87 58.22 1do9 n SER 20 Cb 0.10 -0.03 -0.16 0.00 -1.01 0.00 0.00 64.21 63.11 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 0.07 0.00 -3.16 0.44 -1.04 -1.18 -4.54 114.28 104.87 1do9 n THR 21 Ca -0.05 -0.40 -0.19 0.00 -2.04 0.00 0.00 64.05 61.37 1do9 n THR 21 Cb 0.69 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.22 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 0.00 2.14 0.01 -1.42 0.52 -1.24 -1.31 118.94 117.64 1do9 s TRP 22 Ca 0.90 -0.58 -0.30 0.00 0.02 0.00 0.00 56.10 56.15 1do9 s TRP 22 Cb -0.58 -2.25 0.11 0.00 -1.15 0.00 0.00 33.47 29.60 1do9 s TRP 22 CO 0.39 -0.68 1.24 -0.48 0.02 0.00 0.00 176.95 177.44 1do9 s LEU 23 N -4.44 -0.07 -0.29 2.99 0.05 -0.60 -0.79 118.68 115.51 1do9 s LEU 23 Ca 0.55 -0.17 -0.06 0.00 0.05 0.00 0.00 54.13 54.51 1do9 s LEU 23 Cb -0.07 1.49 0.02 0.00 -2.05 0.00 0.00 46.19 45.58 1do9 s LEU 23 CO 0.34 -0.38 0.05 -0.63 -0.55 0.00 0.00 176.35 175.18 1do9 s ILE 24 N -2.54 3.69 -0.57 1.48 1.01 0.00 -1.07 121.20 123.20 1do9 s ILE 24 Ca 0.14 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 1do9 s ILE 24 Cb 0.04 -2.93 0.15 0.00 0.01 0.00 0.00 42.46 39.72 1do9 s ILE 24 CO -0.03 0.06 0.36 -0.76 0.00 0.00 0.00 174.94 174.57 1do9 s LEU 25 N 1.44 5.03 0.00 2.97 1.43 -1.05 -1.85 118.68 126.65 1do9 s LEU 25 Ca 0.01 -2.77 0.00 0.00 -1.03 0.00 0.00 54.13 50.34 1do9 s LEU 25 Cb -0.17 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1do9 s LEU 25 CO 0.01 -0.36 0.00 1.41 0.23 0.00 0.00 176.35 177.64 1do9 n HIS 26 N 3.55 0.00 -3.15 0.29 8.25 -1.26 -4.08 115.22 118.83 1do9 n HIS 26 Ca 0.06 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.37 1do9 n HIS 26 Cb 0.37 -1.47 -0.04 0.00 1.12 0.00 0.00 29.99 29.97 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 -0.60 -0.53 -3.80 4.41 8.25 -1.26 -4.90 115.22 116.79 1do9 n HIS 27 Ca 0.00 0.28 -0.10 0.00 -0.26 0.00 0.00 57.72 57.64 1do9 n HIS 27 Cb 0.11 -1.09 -0.07 0.00 1.12 0.00 0.00 29.99 30.06 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 -4.54 0.85 -0.23 -0.41 1.02 -1.26 -3.87 119.74 111.31 1do9 s LYS 28 Ca 0.11 -0.78 -0.08 0.00 0.02 0.00 0.00 55.97 55.24 1do9 s LYS 28 Cb -0.07 0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 37.56 1do9 s LYS 28 CO 0.44 -0.28 0.09 0.08 -0.92 0.00 0.00 175.35 174.76 1do9 s VAL 29 N -3.42 4.74 0.25 3.17 1.01 -0.67 -2.54 120.40 122.94 1do9 s VAL 29 Ca 0.01 -0.04 0.11 0.00 0.00 0.00 0.00 61.98 62.07 1do9 s VAL 29 Cb 0.02 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1do9 s VAL 29 CO -0.09 0.37 -0.21 -0.31 0.00 0.00 0.00 175.10 174.87 1do9 s TYR 30 N 1.12 2.24 -0.18 5.22 1.51 -0.23 -1.25 117.35 125.78 1do9 s TYR 30 Ca 0.05 -0.36 -0.04 0.00 -1.01 0.00 0.00 57.07 55.71 1do9 s TYR 30 Cb -0.14 -1.02 0.08 0.00 -0.11 0.00 0.00 41.96 40.77 1do9 s TYR 30 CO 0.04 0.62 0.19 0.34 -1.11 0.00 0.00 175.55 175.63 1do9 s ASP 31 N -3.23 1.41 -0.18 2.29 -1.08 0.13 -1.56 116.67 114.45 1do9 s ASP 31 Ca 0.26 -0.17 0.16 0.00 -0.52 0.00 0.00 52.55 52.28 1do9 s ASP 31 Cb -0.06 0.26 0.41 0.00 -1.46 0.00 0.00 42.92 42.08 1do9 s ASP 31 CO 0.13 -0.31 1.28 0.18 0.52 0.00 0.00 175.17 176.97 1do9 n LEU 32 N 5.31 3.10 0.04 -1.34 4.77 -0.42 -4.70 117.00 123.76 1do9 n LEU 32 Ca -0.06 -3.25 -0.11 0.00 -0.03 0.00 0.00 56.01 52.57 1do9 n LEU 32 Cb 0.49 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1do9 n LEU 32 CO 0.08 0.85 0.71 0.74 -1.33 0.00 0.00 177.39 178.44 1do9 h THR 33 N 0.81 0.47 0.00 -5.08 2.02 -1.85 0.53 112.91 109.81 1do9 h THR 33 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1do9 h THR 33 Cb 1.23 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1do9 h THR 33 CO 0.12 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.18 1do9 n LYS 34 N -5.35 0.01 0.00 6.66 0.00 -1.26 -2.61 118.16 115.60 1do9 n LYS 34 Ca -0.04 0.17 0.10 0.00 0.00 0.00 0.00 58.31 58.53 1do9 n LYS 34 Cb 0.27 -1.50 -0.05 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 -1.50 0.00 -0.31 5.64 7.35 -0.22 -4.39 117.46 124.04 1do9 n PHE 35 Ca 0.05 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.80 1do9 n PHE 35 Cb 0.22 0.00 0.22 0.00 0.35 0.00 0.00 39.48 40.27 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 1.28 0.64 -3.10 -2.13 3.38 0.23 0.11 115.31 115.72 1do9 h LEU 36 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1do9 h LEU 36 Cb 0.59 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1do9 h LEU 36 CO 0.00 0.30 0.00 -0.62 0.09 0.00 0.00 178.44 178.21 1do9 n GLU 37 N -4.79 4.17 -0.00 1.13 -0.58 -1.26 -4.09 120.64 115.21 1do9 n GLU 37 Ca 0.17 -2.63 0.01 0.00 -0.42 0.00 0.00 57.16 54.28 1do9 n GLU 37 Cb 0.39 -2.10 -0.01 0.00 -0.57 0.00 0.00 31.44 29.15 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 0.59 0.59 -0.69 3.49 1.02 -0.04 -5.06 120.64 120.54 1do9 n GLU 38 Ca 0.23 -0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 57.05 1do9 n GLU 38 Cb 1.01 -0.99 0.17 0.00 -0.02 0.00 0.00 31.44 31.61 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 -2.01 1.58 0.24 -0.32 2.46 -0.79 -4.92 115.29 111.55 1do9 s HIS 39 Ca -0.00 1.80 0.10 0.00 0.47 0.00 0.00 55.06 57.43 1do9 s HIS 39 Cb 0.01 -3.36 0.28 0.00 -0.13 0.00 0.00 32.58 29.37 1do9 s HIS 39 CO 0.05 -2.86 1.56 -1.00 -2.47 0.00 0.00 174.74 170.03 1do9 h PRO 40 N -1.86 0.00 0.00 2.88 0.13 -1.95 -3.40 132.00 127.80 1do9 h PRO 40 Ca -0.43 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1do9 h PRO 40 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1do9 h PRO 40 CO 0.41 0.67 -0.05 0.41 -0.23 0.00 0.00 178.00 179.21 1do9 n GLY 41 N 0.42 0.00 3.16 1.56 0.00 -1.26 -5.14 105.19 103.94 1do9 n GLY 41 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.18 0.85 0.03 -0.02 0.00 -1.26 -5.00 107.32 101.74 1do9 s GLY 42 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.88 1do9 s GLY 42 CO 0.00 -0.78 0.00 -1.84 0.00 0.00 0.00 173.10 170.48 1do9 n GLU 43 N 2.06 0.00 -0.11 2.90 0.00 -1.26 -4.49 120.64 119.74 1do9 n GLU 43 Ca -0.17 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 56.95 1do9 n GLU 43 Cb 0.54 -0.01 0.16 0.00 0.00 0.00 0.00 31.44 32.13 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 0.79 -0.90 3.44 4.81 -1.94 -1.43 114.58 119.35 1do9 h GLU 44 Ca 0.00 -0.22 0.09 0.00 -0.13 0.00 0.00 59.36 59.10 1do9 h GLU 44 Cb 0.03 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.25 1do9 h GLU 44 CO 0.00 0.80 0.58 -0.39 -0.73 0.00 0.00 179.01 179.27 1do9 h VAL 45 N 0.74 0.99 0.00 0.32 -1.51 -1.96 0.22 116.25 115.04 1do9 h VAL 45 Ca 0.14 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 1do9 h VAL 45 Cb 0.46 -0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.60 1do9 h VAL 45 CO 0.02 0.17 0.00 -0.07 -1.23 0.00 0.00 177.57 176.46 1do9 h LEU 46 N 0.93 0.00 0.00 4.19 3.38 -1.57 -0.97 115.31 121.27 1do9 h LEU 46 Ca 0.41 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.32 1do9 h LEU 46 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1do9 h LEU 46 CO -0.17 0.00 -0.68 -0.09 0.09 0.00 0.00 178.44 177.59 1do9 h ARG 47 N 0.00 0.00 -0.14 1.13 2.43 -0.62 -2.28 114.38 114.90 1do9 h ARG 47 Ca 0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1do9 h ARG 47 Cb 0.40 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1do9 h ARG 47 CO 0.00 0.19 -0.52 0.93 -1.51 0.00 0.00 179.97 179.06 1do9 h GLU 48 N 0.00 0.40 -0.14 0.20 5.08 0.41 -3.09 114.58 117.44 1do9 h GLU 48 Ca -0.03 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1do9 h GLU 48 Cb 1.22 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1do9 h GLU 48 CO 0.03 0.83 0.00 1.04 -1.00 0.00 0.00 179.01 179.90 1do9 n GLN 49 N -3.95 1.60 -1.61 2.33 3.00 -1.15 -4.99 117.38 112.60 1do9 n GLN 49 Ca -0.02 -1.65 -0.45 0.00 -0.01 0.00 0.00 57.00 54.87 1do9 n GLN 49 Cb 0.57 -1.32 -0.02 0.00 0.00 0.00 0.00 30.24 29.48 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 0.90 0.01 -2.08 -1.58 0.00 -0.86 -0.76 120.51 116.15 1do9 n ALA 50 Ca 0.11 0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.80 1do9 n ALA 50 Cb 0.42 -2.07 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 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 1.31 0.17 2.27 0.00 0.00 0.03 -4.73 105.19 104.23 1do9 n GLY 51 Ca 0.10 0.00 -0.10 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 -0.66 2.49 3.45 -0.02 0.00 0.06 -3.76 105.19 106.76 1do9 n GLY 52 Ca -0.17 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.47 6.18 0.00 1.61 -1.08 -1.25 -0.82 116.67 118.84 1do9 s ASP 53 Ca 0.20 -1.03 0.25 0.00 -0.52 0.00 0.00 52.55 51.46 1do9 s ASP 53 Cb -0.01 -2.41 0.59 0.00 -1.46 0.00 0.00 42.92 39.63 1do9 s ASP 53 CO 0.14 -1.42 1.47 0.00 0.52 0.00 0.00 175.17 175.88 1do9 n ALA 54 N 7.63 3.39 -0.21 3.66 0.00 -0.87 -4.29 120.51 129.81 1do9 n ALA 54 Ca -0.04 -0.37 0.02 0.00 0.00 0.00 0.00 53.44 53.05 1do9 n ALA 54 Cb 0.45 -1.12 0.26 0.00 0.00 0.00 0.00 19.45 19.05 1do9 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1do9 h THR 55 N 0.46 1.16 -0.85 0.00 1.03 -1.69 -0.64 112.91 112.37 1do9 h THR 55 Ca 0.00 -0.33 0.02 0.00 -0.01 0.00 0.00 66.41 66.09 1do9 h THR 55 Cb 0.50 0.10 -0.05 0.00 -1.07 0.00 0.00 68.15 67.63 1do9 h THR 55 CO 0.00 0.18 0.56 -0.33 -0.01 0.00 0.00 175.52 175.92 1do9 h GLU 56 N 0.97 1.08 0.16 0.00 5.08 -1.87 -1.25 114.58 118.74 1do9 h GLU 56 Ca 0.29 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1do9 h GLU 56 Cb -0.04 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 28.97 1do9 h GLU 56 CO -0.07 0.71 -0.08 -0.91 -1.00 0.00 0.00 179.01 177.67 1do9 h ASN 57 N 1.11 -0.18 -0.96 1.42 2.35 -1.52 -0.60 115.58 117.21 1do9 h ASN 57 Ca 0.33 -0.33 0.31 0.00 -0.55 0.00 0.00 56.30 56.05 1do9 h ASN 57 Cb -0.06 0.05 -0.17 0.00 0.05 0.00 0.00 38.32 38.19 1do9 h ASN 57 CO -0.09 0.39 0.28 0.15 -1.65 0.00 0.00 177.43 176.51 1do9 h PHE 58 N -0.92 0.40 0.09 1.19 3.04 -1.08 0.03 116.94 119.70 1do9 h PHE 58 Ca -0.02 0.05 -0.28 0.00 3.98 0.00 0.00 57.97 61.70 1do9 h PHE 58 Cb 0.50 -0.01 0.03 0.00 2.56 0.00 0.00 35.95 39.02 1do9 h PHE 58 CO 0.08 -0.36 -1.14 0.93 -2.02 0.00 0.00 178.31 175.80 1do9 h GLU 59 N 0.09 0.61 -0.49 1.11 4.39 -1.23 -2.06 114.58 116.99 1do9 h GLU 59 Ca 0.67 -0.78 0.08 0.00 0.34 0.00 0.00 59.36 59.67 1do9 h GLU 59 Cb 1.52 0.25 -0.07 0.00 -0.10 0.00 0.00 28.75 30.35 1do9 h GLU 59 CO -0.78 1.35 0.11 0.22 -1.16 0.00 0.00 179.01 178.75 1do9 h ASP 60 N 0.23 0.02 0.49 1.42 1.82 0.62 -0.90 116.42 120.12 1do9 h ASP 60 Ca -0.17 0.08 -0.20 0.00 -0.39 0.00 0.00 57.03 56.36 1do9 h ASP 60 Cb 1.82 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 41.94 1do9 h ASP 60 CO 0.22 0.04 -0.85 -0.37 -1.61 0.00 0.00 179.24 176.67 1do9 h VAL 61 N 0.25 1.46 0.00 2.25 -1.51 -1.34 -3.48 116.25 113.87 1do9 h VAL 61 Ca 0.25 -2.48 0.00 0.00 -1.23 0.00 0.00 66.70 63.24 1do9 h VAL 61 Cb 0.32 2.38 0.00 0.00 -2.13 0.00 0.00 31.29 31.86 1do9 h VAL 61 CO -0.31 0.73 0.00 0.61 -1.23 0.00 0.00 177.57 177.36 1do9 n GLY 62 N 0.80 3.09 1.40 5.19 0.00 -0.34 -4.99 105.19 110.34 1do9 n GLY 62 Ca -0.04 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.71 -0.62 1.61 8.25 -1.22 -4.60 115.22 115.93 1do9 n HIS 63 Ca 0.00 1.46 -0.30 0.00 -0.26 0.00 0.00 57.72 58.61 1do9 n HIS 63 Cb 0.00 -2.30 0.19 0.00 1.12 0.00 0.00 29.99 29.00 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 -1.52 -0.43 -0.14 0.41 7.64 -1.26 -4.82 113.62 113.51 1do9 n SER 64 Ca 0.00 0.24 -0.12 0.00 1.01 0.00 0.00 58.87 60.00 1do9 n SER 64 Cb 0.12 -1.39 -0.02 0.00 -1.01 0.00 0.00 64.21 61.91 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 -2.12 1.28 -0.23 0.44 2.02 -1.99 -1.82 112.91 110.49 1do9 h THR 65 Ca -0.49 -1.40 -0.05 0.00 0.77 0.00 0.00 66.41 65.25 1do9 h THR 65 Cb 1.29 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 1do9 h THR 65 CO 0.43 0.47 -0.09 -0.78 0.37 0.00 0.00 175.52 175.92 1do9 h ASP 66 N 0.71 0.34 0.93 4.18 3.58 -2.00 0.39 116.42 124.56 1do9 h ASP 66 Ca 0.09 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1do9 h ASP 66 Cb 0.81 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.77 1do9 h ASP 66 CO 0.07 0.47 0.00 0.00 -2.88 0.00 0.00 179.24 176.90 1do9 h ALA 67 N 1.57 1.00 0.00 -0.78 0.00 -1.84 -1.12 119.26 118.10 1do9 h ALA 67 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1do9 h ALA 67 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1do9 h ALA 67 CO 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 179.25 178.81 1do9 h ARG 68 N 0.00 0.00 0.04 0.00 3.08 -0.08 -3.37 114.38 114.05 1do9 h ARG 68 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 1do9 h ARG 68 Cb 0.47 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.47 1do9 h ARG 68 CO 0.00 0.00 -2.13 0.39 -1.07 0.00 0.00 179.97 177.16 1do9 n GLU 69 N -2.49 0.69 0.21 0.04 1.02 -0.54 -4.10 120.64 115.47 1do9 n GLU 69 Ca 0.03 0.19 0.05 0.00 -0.02 0.00 0.00 57.16 57.41 1do9 n GLU 69 Cb 0.48 -1.65 0.46 0.00 -0.02 0.00 0.00 31.44 30.72 1do9 n GLU 69 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 1do9 h LEU 70 N 0.03 0.00 -1.81 -4.62 -0.00 -1.46 -1.04 115.31 106.40 1do9 h LEU 70 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 1do9 h LEU 70 Cb 2.03 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.69 1do9 h LEU 70 CO 0.03 0.26 0.21 0.28 -0.00 0.00 0.00 178.44 179.21 1do9 h SER 71 N 0.00 0.00 0.04 0.17 0.02 -1.73 -1.06 113.55 110.99 1do9 h SER 71 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1do9 h SER 71 Cb 0.46 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1do9 h SER 71 CO 0.03 0.00 -0.00 0.50 -1.14 0.00 0.00 176.83 176.22 1do9 h LYS 72 N 0.00 0.00 -0.00 3.45 1.63 -1.37 -0.36 116.57 119.91 1do9 h LYS 72 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1do9 h LYS 72 Cb 0.41 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1do9 h LYS 72 CO 0.00 0.00 -0.27 2.41 -3.45 0.00 0.00 179.45 178.15 1do9 n THR 73 N -3.35 0.00 -0.00 1.00 -1.04 -0.40 -3.88 114.28 106.60 1do9 n THR 73 Ca -0.03 -0.08 0.06 0.00 -2.04 0.00 0.00 64.05 61.97 1do9 n THR 73 Cb 0.09 0.22 -0.13 0.00 -1.82 0.00 0.00 70.33 68.68 1do9 n THR 73 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1do9 n PHE 74 N -0.94 0.24 -1.70 -1.42 3.01 -0.16 -4.86 117.46 111.63 1do9 n PHE 74 Ca 0.11 0.07 -0.43 0.00 1.01 0.00 0.00 57.45 58.21 1do9 n PHE 74 Cb 0.33 -0.71 -0.03 0.00 -0.01 0.00 0.00 39.48 39.06 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 -2.47 0.17 0.19 4.37 3.06 -1.13 -0.69 119.36 122.86 1do9 n ILE 75 Ca -0.09 -0.03 0.02 0.00 -2.50 0.00 0.00 62.75 60.15 1do9 n ILE 75 Cb 0.69 -1.97 0.01 0.00 0.54 0.00 0.00 39.64 38.91 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 4.24 0.00 -1.44 9.51 -6.64 -0.38 -4.91 119.36 119.73 1do9 n ILE 76 Ca 0.17 -0.47 0.00 0.00 -1.77 0.00 0.00 62.75 60.68 1do9 n ILE 76 Cb 0.35 1.07 0.00 0.00 -1.44 0.00 0.00 39.64 39.61 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 0.50 -1.21 3.33 3.28 0.00 -1.15 -4.56 105.19 105.38 1do9 n GLY 77 Ca 0.02 -0.93 -0.19 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.10 1.27 0.46 1.61 2.02 0.28 -1.67 118.70 121.57 1do9 s GLU 78 Ca 0.00 -1.48 -0.23 0.00 0.02 0.00 0.00 54.97 53.27 1do9 s GLU 78 Cb 0.00 -1.15 -0.07 0.00 0.10 0.00 0.00 34.13 33.01 1do9 s GLU 78 CO 0.00 0.21 1.24 -0.51 0.02 0.00 0.00 175.26 176.22 1do9 s LEU 79 N -3.00 4.03 1.02 1.80 1.02 -1.25 -2.27 118.68 120.04 1do9 s LEU 79 Ca 0.18 2.50 -0.14 0.00 0.02 0.00 0.00 54.13 56.69 1do9 s LEU 79 Cb -0.03 -4.16 0.10 0.00 0.02 0.00 0.00 46.19 42.13 1do9 s LEU 79 CO 0.06 -1.05 0.45 1.41 0.02 0.00 0.00 176.35 177.24 1do9 n HIS 80 N -0.44 -1.13 -2.29 0.29 8.25 -0.21 -4.80 115.22 114.90 1do9 n HIS 80 Ca 0.07 0.18 -0.34 0.00 -0.26 0.00 0.00 57.72 57.37 1do9 n HIS 80 Cb 0.46 -1.74 -0.04 0.00 1.12 0.00 0.00 29.99 29.80 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 -3.79 3.13 0.00 -0.41 0.04 -1.26 -2.92 135.00 129.79 1do9 s PRO 81 Ca 0.59 -1.43 0.00 0.00 0.04 0.00 0.00 61.00 60.20 1do9 s PRO 81 Cb -0.19 -5.35 0.00 0.00 0.04 0.00 0.00 34.50 29.00 1do9 s PRO 81 CO 0.66 -3.20 0.00 -0.40 0.04 0.00 0.00 177.00 174.10 1do9 n ASP 82 N 11.78 0.00 -0.41 6.66 5.68 -1.26 -4.86 116.55 134.15 1do9 n ASP 82 Ca 0.45 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.81 1do9 n ASP 82 Cb 0.47 0.08 0.25 0.00 -1.14 0.00 0.00 41.12 40.78 1do9 n ASP 82 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1do9 n ASP 83 N -2.05 1.21 0.00 -1.12 2.03 -1.15 -3.07 116.55 112.40 1do9 n ASP 83 Ca 0.00 -1.83 0.00 0.00 0.52 0.00 0.00 54.79 53.48 1do9 n ASP 83 Cb 0.00 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 1do9 n ASP 83 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1do9 n ARG 84 N 0.09 3.28 -4.29 -0.67 1.74 -1.26 -4.87 116.66 110.69 1do9 n ARG 84 Ca 0.11 -0.20 -0.35 0.00 -0.77 0.00 0.00 57.85 56.65 1do9 n ARG 84 Cb 0.22 -0.68 -0.06 0.00 -1.02 0.00 0.00 32.46 30.92 1do9 n ARG 84 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1do9 n SER 85 N -0.53 -1.15 0.12 0.55 7.64 -1.18 -4.64 113.62 114.43 1do9 n SER 85 Ca 0.00 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.73 1do9 n SER 85 Cb 0.01 -2.18 0.00 0.00 -1.01 0.00 0.00 64.21 61.03 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 -4.36 0.00 -1.70 1.43 4.76 -1.26 -5.08 118.16 111.95 1do9 n LYS 86 Ca -0.10 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 54.99 1do9 n LYS 86 Cb 0.58 0.00 0.06 0.00 -1.84 0.00 0.00 35.03 33.83 1do9 n LYS 86 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1do9 s LEU 87 N -5.97 3.45 -0.03 -0.35 1.02 -1.26 -5.01 118.68 110.54 1do9 s LEU 87 Ca 0.00 2.31 -0.29 0.00 0.02 0.00 0.00 54.13 56.17 1do9 s LEU 87 Cb 0.00 -4.59 0.10 0.00 0.02 0.00 0.00 46.19 41.72 1do9 s LEU 87 CO 0.00 -1.92 1.30 -0.55 0.02 0.00 0.00 176.35 175.20 1do9 s SER 88 N -1.97 0.00 -0.61 2.29 0.15 -1.26 -4.51 113.70 107.79 1do9 s SER 88 Ca 0.74 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 57.22 1do9 s SER 88 Cb -0.28 0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.14 1do9 s SER 88 CO 0.40 -0.25 0.57 1.17 1.20 0.00 0.00 173.24 176.34 1do9 n LYS 89 N -0.92 -1.13 -0.93 5.44 0.00 -1.26 -5.04 118.16 114.32 1do9 n LYS 89 Ca 0.04 1.20 -0.24 0.00 0.00 0.00 0.00 58.31 59.31 1do9 n LYS 89 Cb 0.58 -4.85 0.20 0.00 0.00 0.00 0.00 35.03 30.96 1do9 n LYS 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1do9 n PRO 90 N -1.77 -2.58 -4.30 1.64 -0.04 -1.26 -5.09 135.00 121.61 1do9 n PRO 90 Ca -0.01 -1.46 -0.18 0.00 -0.04 0.00 0.00 63.50 61.81 1do9 n PRO 90 Cb 0.51 -1.32 -0.15 0.00 -0.04 0.00 0.00 33.50 32.50 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 -5.07 0.70 0.17 0.54 1.75 -1.26 -5.15 119.30 110.98 1do9 s MET 91 Ca 0.59 -0.26 -0.24 0.00 -1.25 0.00 0.00 55.69 54.53 1do9 s MET 91 Cb -0.05 -0.68 0.06 0.00 2.84 0.00 0.00 34.83 37.00 1do9 s MET 91 CO 0.45 0.13 0.77 -2.00 -0.65 0.00 0.00 175.02 173.71 1do9 s GLU 92 N 0.02 1.34 -0.08 4.11 -6.30 -1.26 -5.19 118.70 111.34 1do9 s GLU 92 Ca 0.00 -0.65 -0.27 0.00 -2.50 0.00 0.00 54.97 51.56 1do9 s GLU 92 Cb -0.05 0.52 0.06 0.00 0.00 0.00 0.00 34.13 34.65 1do9 s GLU 92 CO -0.00 -0.60 0.61 -0.08 0.02 0.00 0.00 175.26 175.20 1do9 s THR 93 N -3.59 0.01 0.00 -1.70 -1.32 -1.26 -5.34 115.64 102.44 1do9 s THR 93 Ca 0.07 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1do9 s THR 93 Cb -0.03 -0.91 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 1do9 s THR 93 CO -0.03 -0.05 0.00 -0.11 -2.21 0.00 0.00 174.62 172.23