#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 0.00 -0.34 0.11 0.00 -1.26 -5.12 118.16 111.55 1do9 n LYS 2 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.31 58.25 1do9 n LYS 2 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 35.03 35.08 1do9 n LYS 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1do9 n ASP 3 N -3.26 -0.34 0.00 3.14 2.03 -1.26 -5.11 116.55 111.75 1do9 n ASP 3 Ca 0.00 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.34 1do9 n ASP 3 Cb 0.00 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 1do9 n ASP 3 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1do9 n VAL 4 N -2.56 0.00 0.01 5.18 0.31 -1.26 -5.11 118.33 114.90 1do9 n VAL 4 Ca 0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1do9 n VAL 4 Cb 0.12 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.05 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 0.00 -2.99 5.55 4.76 -1.26 -5.10 118.16 119.12 1do9 n LYS 5 Ca 0.00 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.43 1do9 n LYS 5 Cb 0.00 -0.12 -0.01 0.00 -1.84 0.00 0.00 35.03 33.06 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 -2.71 -1.02 -4.34 2.13 4.02 -1.26 -4.94 117.16 109.04 1do9 n TYR 6 Ca -0.00 0.57 -0.28 0.00 -0.01 0.00 0.00 57.90 58.18 1do9 n TYR 6 Cb 0.00 -1.68 -0.11 0.00 -0.02 0.00 0.00 39.34 37.53 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 -0.36 2.46 0.51 -0.72 2.02 -0.59 -4.84 117.35 115.84 1do9 s TYR 7 Ca -0.05 -0.30 -0.07 0.00 -0.37 0.00 0.00 57.07 56.27 1do9 s TYR 7 Cb 0.00 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.25 1do9 s TYR 7 CO 0.18 0.43 0.85 0.95 -1.57 0.00 0.00 175.55 176.40 1do9 s THR 8 N -1.36 4.84 0.39 -0.71 -4.23 -1.26 -1.88 115.64 111.43 1do9 s THR 8 Ca 0.19 0.43 0.12 0.00 -1.18 0.00 0.00 61.69 61.25 1do9 s THR 8 Cb -0.09 -3.85 0.33 0.00 1.34 0.00 0.00 72.50 70.23 1do9 s THR 8 CO 0.10 -0.89 1.90 -0.07 -0.54 0.00 0.00 174.62 175.12 1do9 h LEU 9 N 0.19 0.54 -0.52 4.79 -0.00 -1.98 0.54 115.31 118.87 1do9 h LEU 9 Ca -0.46 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 1do9 h LEU 9 Cb 1.20 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.75 1do9 h LEU 9 CO 0.62 0.28 0.34 -0.33 -0.00 0.00 0.00 178.44 179.35 1do9 h GLU 10 N 0.57 0.69 -0.30 1.13 3.07 -1.95 -0.21 114.58 117.59 1do9 h GLU 10 Ca 0.40 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.21 1do9 h GLU 10 Cb 0.74 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 1do9 h GLU 10 CO -0.16 0.47 0.17 0.93 -1.40 0.00 0.00 179.01 179.02 1do9 h GLU 11 N 0.71 0.41 -0.31 2.33 4.39 -1.28 -0.67 114.58 120.17 1do9 h GLU 11 Ca 0.19 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 1do9 h GLU 11 Cb -0.07 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 1do9 h GLU 11 CO -0.04 0.33 0.02 0.82 -1.16 0.00 0.00 179.01 178.98 1do9 h ILE 12 N 0.37 1.18 0.00 3.13 5.03 -1.09 -0.92 117.51 125.21 1do9 h ILE 12 Ca 0.11 -0.68 0.00 0.00 -0.12 0.00 0.00 64.86 64.17 1do9 h ILE 12 Cb 0.03 0.92 0.00 0.00 -3.03 0.00 0.00 36.82 34.75 1do9 h ILE 12 CO -0.02 0.23 0.00 0.29 -0.68 0.00 0.00 178.15 177.97 1do9 n LYS 13 N -4.31 0.98 -0.00 2.37 5.02 -0.12 -2.90 118.16 119.19 1do9 n LYS 13 Ca 0.01 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.39 1do9 n LYS 13 Cb 0.22 -1.42 -0.13 0.00 -0.02 0.00 0.00 35.03 33.68 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 -0.92 0.73 0.00 1.97 5.02 -0.32 -4.87 118.16 119.76 1do9 n LYS 14 Ca 0.20 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1do9 n LYS 14 Cb 0.09 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1do9 n LYS 14 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1do9 n HIS 15 N -1.80 0.00 -4.25 2.13 8.25 -1.14 -4.82 115.22 113.59 1do9 n HIS 15 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 1do9 n HIS 15 Cb 0.39 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.42 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 0.45 -3.60 0.41 6.94 0.23 -4.94 115.26 114.75 1do9 n ASN 16 Ca 0.00 -1.25 -0.28 0.00 -0.02 0.00 0.00 54.58 53.03 1do9 n ASN 16 Cb 0.00 -1.54 -0.16 0.00 -2.36 0.00 0.00 39.78 35.72 1do9 n ASN 16 CO 0.00 0.00 0.00 -1.38 -1.03 0.00 0.00 177.26 174.85 1do9 s HIS 17 N -4.27 0.51 0.00 -2.53 -3.43 -0.13 -4.97 115.29 100.46 1do9 s HIS 17 Ca 0.05 -0.79 0.00 0.00 -0.80 0.00 0.00 55.06 53.52 1do9 s HIS 17 Cb -0.03 -0.93 0.00 0.00 -1.43 0.00 0.00 32.58 30.19 1do9 s HIS 17 CO 0.97 -0.71 0.00 0.43 -2.00 0.00 0.00 174.74 173.43 1do9 n SER 18 N 5.19 0.00 0.00 7.38 7.64 -1.26 -2.72 113.62 129.85 1do9 n SER 18 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1do9 n SER 18 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.00 0.00 -1.52 1.43 3.00 -1.26 -4.82 118.16 114.99 1do9 n LYS 19 Ca 0.00 0.29 -0.25 0.00 -0.00 0.00 0.00 58.31 58.36 1do9 n LYS 19 Cb 0.00 -0.78 -0.17 0.00 0.00 0.00 0.00 35.03 34.08 1do9 n LYS 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1do9 n SER 20 N -2.06 -0.23 -3.78 3.14 7.64 -1.10 -4.27 113.62 112.96 1do9 n SER 20 Ca 0.00 -0.60 -0.29 0.00 1.01 0.00 0.00 58.87 59.00 1do9 n SER 20 Cb 0.00 -0.90 -0.12 0.00 -1.01 0.00 0.00 64.21 62.18 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 5.50 2.06 0.79 0.44 2.01 -1.26 0.77 115.64 125.95 1do9 s THR 21 Ca 1.23 -3.44 -0.09 0.00 0.31 0.00 0.00 61.69 59.70 1do9 s THR 21 Cb -0.74 -2.39 0.11 0.00 0.01 0.00 0.00 72.50 69.50 1do9 s THR 21 CO 0.44 -0.98 1.11 0.26 -0.69 0.00 0.00 174.62 174.75 1do9 s TRP 22 N -0.58 2.31 0.02 4.92 0.52 -1.26 -1.40 118.94 123.46 1do9 s TRP 22 Ca 0.23 0.30 -0.29 0.00 0.02 0.00 0.00 56.10 56.36 1do9 s TRP 22 Cb -0.11 -3.44 0.10 0.00 -1.15 0.00 0.00 33.47 28.87 1do9 s TRP 22 CO -0.10 -1.84 1.12 -0.48 0.02 0.00 0.00 176.95 175.66 1do9 s LEU 23 N -5.43 -0.15 -0.24 2.99 0.05 -0.65 -0.82 118.68 114.43 1do9 s LEU 23 Ca 0.65 -0.19 -0.08 0.00 0.05 0.00 0.00 54.13 54.56 1do9 s LEU 23 Cb -0.08 1.73 -0.03 0.00 -2.05 0.00 0.00 46.19 45.76 1do9 s LEU 23 CO 0.47 -0.54 0.08 -0.63 -0.55 0.00 0.00 176.35 175.19 1do9 s ILE 24 N -2.80 4.46 -0.41 1.48 -1.09 0.01 -0.89 121.20 121.96 1do9 s ILE 24 Ca 0.12 -0.12 0.04 0.00 -2.23 0.00 0.00 60.65 58.45 1do9 s ILE 24 Cb 0.01 -3.08 0.11 0.00 -1.58 0.00 0.00 42.46 37.92 1do9 s ILE 24 CO -0.03 0.34 0.13 -0.76 -1.23 0.00 0.00 174.94 173.40 1do9 s LEU 25 N 1.49 4.61 -0.22 2.97 1.43 -0.85 -2.19 118.68 125.93 1do9 s LEU 25 Ca 0.06 -2.47 -0.05 0.00 -1.03 0.00 0.00 54.13 50.64 1do9 s LEU 25 Cb -0.15 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.44 1do9 s LEU 25 CO 0.04 -0.33 0.27 1.41 0.23 0.00 0.00 176.35 177.97 1do9 n HIS 26 N 3.84 -1.42 -3.34 0.29 8.25 -1.26 -3.82 115.22 117.76 1do9 n HIS 26 Ca 0.04 0.57 -0.21 0.00 -0.26 0.00 0.00 57.72 57.86 1do9 n HIS 26 Cb 0.38 -2.60 -0.05 0.00 1.12 0.00 0.00 29.99 28.84 1do9 n HIS 26 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1do9 n HIS 27 N -0.66 -0.67 -3.82 4.41 1.44 -1.26 -4.91 115.22 109.74 1do9 n HIS 27 Ca 0.04 0.37 -0.11 0.00 -2.01 0.00 0.00 57.72 56.00 1do9 n HIS 27 Cb 0.28 -1.26 -0.08 0.00 0.12 0.00 0.00 29.99 29.04 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 -4.90 0.68 -0.18 -1.40 1.02 -1.25 -4.09 119.74 109.62 1do9 s LYS 28 Ca 0.27 -0.53 -0.10 0.00 0.02 0.00 0.00 55.97 55.63 1do9 s LYS 28 Cb -0.16 0.29 -0.05 0.00 -0.52 0.00 0.00 37.83 37.39 1do9 s LYS 28 CO 0.57 -0.20 0.16 0.08 -0.92 0.00 0.00 175.35 175.04 1do9 s VAL 29 N -2.28 5.41 0.20 3.17 1.01 -0.66 -2.01 120.40 125.25 1do9 s VAL 29 Ca -0.07 0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.24 1do9 s VAL 29 Cb -0.02 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1do9 s VAL 29 CO -0.02 0.47 -0.17 -0.31 0.00 0.00 0.00 175.10 175.07 1do9 s TYR 30 N 0.09 1.86 -0.04 5.22 1.51 -0.06 -1.42 117.35 124.51 1do9 s TYR 30 Ca 0.11 -0.49 -0.02 0.00 -1.01 0.00 0.00 57.07 55.66 1do9 s TYR 30 Cb -0.12 -0.87 0.03 0.00 -0.11 0.00 0.00 41.96 40.89 1do9 s TYR 30 CO 0.00 0.42 0.05 0.34 -1.11 0.00 0.00 175.55 175.25 1do9 s ASP 31 N -3.12 1.12 -0.10 2.29 -1.08 0.29 -1.63 116.67 114.44 1do9 s ASP 31 Ca 0.21 0.06 0.14 0.00 -0.52 0.00 0.00 52.55 52.44 1do9 s ASP 31 Cb -0.03 -0.17 0.23 0.00 -1.46 0.00 0.00 42.92 41.48 1do9 s ASP 31 CO 0.08 -0.24 1.12 0.18 0.52 0.00 0.00 175.17 176.83 1do9 n LEU 32 N 5.21 1.75 0.01 -1.34 4.77 -0.49 -4.67 117.00 122.23 1do9 n LEU 32 Ca -0.05 -2.58 -0.10 0.00 -0.03 0.00 0.00 56.01 53.24 1do9 n LEU 32 Cb 0.50 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1do9 n LEU 32 CO 0.08 0.63 0.66 0.74 -1.33 0.00 0.00 177.39 178.16 1do9 h THR 33 N 1.97 0.32 0.00 -5.08 2.02 -1.74 0.44 112.91 110.85 1do9 h THR 33 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1do9 h THR 33 Cb 1.12 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1do9 h THR 33 CO 0.00 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.06 1do9 n LYS 34 N -5.40 0.17 -0.00 6.66 4.81 -1.26 -3.05 118.16 120.10 1do9 n LYS 34 Ca -0.03 0.11 0.08 0.00 -0.87 0.00 0.00 58.31 57.59 1do9 n LYS 34 Cb 0.32 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 33.77 1do9 n LYS 34 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1do9 n PHE 35 N -1.38 0.00 0.10 5.64 7.35 0.05 -4.31 117.46 124.91 1do9 n PHE 35 Ca 0.08 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.65 1do9 n PHE 35 Cb 0.20 -0.06 -0.07 0.00 0.35 0.00 0.00 39.48 39.90 1do9 n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1do9 h LEU 36 N 0.00 -1.17 -0.77 -2.13 3.38 -0.14 0.45 115.31 114.92 1do9 h LEU 36 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1do9 h LEU 36 Cb 0.44 0.43 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1do9 h LEU 36 CO 0.00 -0.42 0.00 -0.62 0.09 0.00 0.00 178.44 177.49 1do9 n GLU 37 N -4.68 1.01 0.00 1.13 1.02 -1.26 -2.99 120.64 114.86 1do9 n GLU 37 Ca -0.07 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1do9 n GLU 37 Cb 0.31 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 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 -0.11 -0.17 -3.15 3.49 1.02 -0.34 -5.06 120.64 116.32 1do9 n GLU 38 Ca 0.00 -0.32 -0.40 0.00 -0.02 0.00 0.00 57.16 56.42 1do9 n GLU 38 Cb 0.19 -0.71 -0.06 0.00 -0.02 0.00 0.00 31.44 30.84 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 -0.07 3.38 -0.89 -0.32 2.46 0.14 -4.98 115.29 115.02 1do9 s HIS 39 Ca 0.00 0.91 -0.25 0.00 0.47 0.00 0.00 55.06 56.19 1do9 s HIS 39 Cb 0.00 -2.77 -0.02 0.00 -0.13 0.00 0.00 32.58 29.66 1do9 s HIS 39 CO 0.00 -0.14 1.82 -1.25 -2.47 0.00 0.00 174.74 172.70 1do9 s PRO 40 N 1.79 2.78 0.00 2.88 0.04 -1.26 -3.91 135.00 137.32 1do9 s PRO 40 Ca 0.28 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.97 1do9 s PRO 40 Cb -0.16 -5.02 0.00 0.00 0.04 0.00 0.00 34.50 29.36 1do9 s PRO 40 CO 0.10 -3.05 0.00 0.41 0.04 0.00 0.00 177.00 174.50 1do9 n GLY 41 N 6.70 -0.76 3.51 0.56 0.00 -1.26 -5.11 105.19 108.82 1do9 n GLY 41 Ca 0.36 0.28 -0.12 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.47 0.10 -0.02 0.00 -1.25 -5.03 107.32 100.64 1do9 s GLY 42 Ca 0.00 1.80 -0.02 0.00 0.00 0.00 0.00 44.72 46.50 1do9 s GLY 42 CO 0.00 1.62 1.20 1.05 0.00 0.00 0.00 173.10 176.97 1do9 h GLU 43 N 5.60 0.23 -0.22 2.90 4.11 -1.84 -3.33 114.58 122.03 1do9 h GLU 43 Ca -0.29 -0.36 -0.15 0.00 0.07 0.00 0.00 59.36 58.62 1do9 h GLU 43 Cb 1.18 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1do9 h GLU 43 CO 0.14 1.15 -0.49 1.49 0.07 0.00 0.00 179.01 181.37 1do9 h GLU 44 N 0.08 0.59 -0.24 1.06 4.81 -1.96 0.13 114.58 119.05 1do9 h GLU 44 Ca -0.10 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 1do9 h GLU 44 Cb 1.87 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.26 1do9 h GLU 44 CO 0.18 0.95 0.04 -0.39 -0.73 0.00 0.00 179.01 179.06 1do9 h VAL 45 N 0.47 1.13 0.00 0.32 -1.51 -1.99 0.18 116.25 114.85 1do9 h VAL 45 Ca 0.02 -0.48 -0.01 0.00 -1.23 0.00 0.00 66.70 65.01 1do9 h VAL 45 Cb 1.02 0.90 -0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1do9 h VAL 45 CO 0.10 0.17 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.51 1do9 h LEU 46 N 0.35 0.00 0.00 4.19 3.38 -1.08 -2.80 115.31 119.35 1do9 h LEU 46 Ca 0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1do9 h LEU 46 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1do9 h LEU 46 CO -0.00 0.03 -1.13 -0.09 0.09 0.00 0.00 178.44 177.33 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 1.12 -0.52 -3.11 114.38 113.00 1do9 h ARG 47 Ca -0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 1do9 h ARG 47 Cb 0.45 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.40 1do9 h ARG 47 CO 0.00 0.34 -0.03 0.93 -3.11 0.00 0.00 179.97 178.10 1do9 h GLU 48 N 0.00 0.00 -0.06 0.20 4.39 -0.71 -2.66 114.58 115.74 1do9 h GLU 48 Ca -0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1do9 h GLU 48 Cb 1.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 1do9 h GLU 48 CO 0.05 0.03 0.00 1.04 -1.16 0.00 0.00 179.01 178.97 1do9 n GLN 49 N -3.14 1.53 -1.94 2.33 1.13 -1.23 -5.03 117.38 111.02 1do9 n GLN 49 Ca 0.00 -1.27 -0.37 0.00 -1.94 0.00 0.00 57.00 53.43 1do9 n GLN 49 Cb 0.31 -1.07 0.04 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 s ALA 50 N -0.70 2.61 -2.00 -1.58 0.00 -1.00 -2.08 121.76 116.99 1do9 s ALA 50 Ca 0.06 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1do9 s ALA 50 Cb 0.03 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1do9 s ALA 50 CO 0.04 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 174.98 1do9 n GLY 51 N 0.62 1.80 0.42 0.00 0.00 0.00 -4.88 105.19 103.15 1do9 n GLY 51 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.32 2.96 3.40 -0.02 0.00 -0.88 -4.32 105.19 106.01 1do9 n GLY 52 Ca -0.19 -1.39 -0.45 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.27 6.44 0.00 1.61 -1.08 -1.25 -0.81 116.67 120.30 1do9 s ASP 53 Ca 0.03 -1.82 0.28 0.00 -0.52 0.00 0.00 52.55 50.53 1do9 s ASP 53 Cb -0.00 -2.33 1.16 0.00 -1.46 0.00 0.00 42.92 40.28 1do9 s ASP 53 CO 0.03 -1.04 1.81 0.00 0.52 0.00 0.00 175.17 176.49 1do9 n ALA 54 N 6.16 2.80 -0.16 3.66 0.00 -0.93 -4.10 120.51 127.94 1do9 n ALA 54 Ca 0.07 -0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.34 1do9 n ALA 54 Cb 0.46 -1.29 0.47 0.00 0.00 0.00 0.00 19.45 19.08 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 0.78 0.85 0.13 0.00 2.02 -1.84 -1.38 112.91 113.48 1do9 h THR 55 Ca 0.00 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.02 1do9 h THR 55 Cb 0.38 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1do9 h THR 55 CO 0.00 0.09 -0.20 -0.33 0.37 0.00 0.00 175.52 175.45 1do9 h GLU 56 N 0.49 -0.38 -0.17 6.66 5.08 -1.90 0.21 114.58 124.57 1do9 h GLU 56 Ca 0.35 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1do9 h GLU 56 Cb 0.68 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1do9 h GLU 56 CO -0.12 -0.25 0.09 -0.91 -1.00 0.00 0.00 179.01 176.82 1do9 h ASN 57 N -0.40 0.21 0.02 1.42 4.21 -1.57 0.76 115.58 120.23 1do9 h ASN 57 Ca 0.02 -0.09 -0.00 0.00 1.21 0.00 0.00 56.30 57.44 1do9 h ASN 57 Cb 0.40 -0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.55 1do9 h ASN 57 CO -0.10 0.24 -0.01 0.15 -1.29 0.00 0.00 177.43 176.42 1do9 h PHE 58 N 0.17 0.00 0.06 1.19 3.04 -1.04 -1.54 116.94 118.81 1do9 h PHE 58 Ca 0.06 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.71 1do9 h PHE 58 Cb 0.08 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.56 1do9 h PHE 58 CO -0.04 0.01 -1.61 0.93 -2.02 0.00 0.00 178.31 175.58 1do9 h GLU 59 N 0.00 0.12 -0.13 1.11 4.39 -0.59 -2.89 114.58 116.59 1do9 h GLU 59 Ca -0.00 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 1do9 h GLU 59 Cb 0.03 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1do9 h GLU 59 CO 0.00 0.86 0.04 0.22 -1.16 0.00 0.00 179.01 178.97 1do9 h ASP 60 N 0.03 0.20 0.30 1.42 3.58 0.15 -1.03 116.42 121.06 1do9 h ASP 60 Ca -0.26 -0.21 -0.10 0.00 0.42 0.00 0.00 57.03 56.88 1do9 h ASP 60 Cb 1.99 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.97 1do9 h ASP 60 CO 0.11 0.35 -0.41 1.62 -2.88 0.00 0.00 179.24 178.03 1do9 h VAL 61 N 0.03 1.31 -2.90 2.25 3.04 -1.63 -3.48 116.25 114.87 1do9 h VAL 61 Ca 0.04 -1.49 0.00 0.00 -1.01 0.00 0.00 66.70 64.24 1do9 h VAL 61 Cb 0.23 1.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1do9 h VAL 61 CO -0.00 0.44 0.00 0.61 -1.01 0.00 0.00 177.57 177.61 1do9 n GLY 62 N -0.24 0.89 3.42 3.17 0.00 -0.39 -4.97 105.19 107.06 1do9 n GLY 62 Ca -0.02 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1do9 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1do9 n HIS 63 N -1.45 -1.29 -1.35 1.61 8.25 -1.09 -4.90 115.22 114.99 1do9 n HIS 63 Ca 0.00 0.32 -0.36 0.00 -0.26 0.00 0.00 57.72 57.43 1do9 n HIS 63 Cb 0.49 -1.86 0.08 0.00 1.12 0.00 0.00 29.99 29.83 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 0.05 0.35 0.02 0.41 7.64 -1.26 -4.73 113.62 116.09 1do9 n SER 64 Ca 0.09 0.66 -0.12 0.00 1.01 0.00 0.00 58.87 60.51 1do9 n SER 64 Cb 0.50 -1.39 -0.08 0.00 -1.01 0.00 0.00 64.21 62.23 1do9 n SER 64 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1do9 h THR 65 N -0.25 1.13 0.00 0.44 2.02 -1.99 0.55 112.91 114.81 1do9 h THR 65 Ca -0.47 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 1do9 h THR 65 Cb 1.34 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1do9 h THR 65 CO 0.47 0.10 -0.11 -0.78 0.37 0.00 0.00 175.52 175.56 1do9 h ASP 66 N -0.16 0.00 0.57 4.18 3.58 -2.00 -0.29 116.42 122.30 1do9 h ASP 66 Ca -0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 1do9 h ASP 66 Cb 0.16 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 1do9 h ASP 66 CO 0.00 0.11 -0.49 0.00 -2.88 0.00 0.00 179.24 175.99 1do9 h ALA 67 N 1.89 1.12 0.00 -0.78 0.00 -1.65 -1.33 119.26 118.50 1do9 h ALA 67 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1do9 h ALA 67 Cb 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1do9 h ALA 67 CO 0.01 0.61 0.00 0.54 0.00 0.00 0.00 179.25 180.41 1do9 n ARG 68 N -3.84 0.03 -0.10 0.00 1.74 0.09 -3.74 116.66 110.83 1do9 n ARG 68 Ca -0.01 0.18 -0.14 0.00 -0.77 0.00 0.00 57.85 57.10 1do9 n ARG 68 Cb 0.52 -1.54 -0.10 0.00 -1.02 0.00 0.00 32.46 30.32 1do9 n ARG 68 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1do9 n GLU 69 N -1.60 0.55 0.20 5.56 -0.58 -0.60 -4.41 120.64 119.76 1do9 n GLU 69 Ca 0.05 0.12 0.04 0.00 -0.42 0.00 0.00 57.16 56.95 1do9 n GLU 69 Cb 0.24 -1.42 0.44 0.00 -0.57 0.00 0.00 31.44 30.14 1do9 n GLU 69 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 1do9 h LEU 70 N 0.00 0.02 -1.78 -4.62 -0.00 -1.43 -1.03 115.31 106.47 1do9 h LEU 70 Ca -0.47 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 1do9 h LEU 70 Cb 1.74 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 42.39 1do9 h LEU 70 CO -0.07 0.26 0.21 0.28 -0.00 0.00 0.00 178.44 179.12 1do9 h SER 71 N 0.02 0.00 0.24 0.17 0.02 -1.77 -0.70 113.55 111.53 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 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 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 3.64 -1.41 0.17 116.57 122.41 1do9 h LYS 72 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1do9 h LYS 72 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1do9 h LYS 72 CO 0.00 0.00 -0.51 -2.37 -2.27 0.00 0.00 179.45 174.30 1do9 n THR 73 N -3.06 0.12 0.27 1.00 5.66 -0.27 -3.76 114.28 114.24 1do9 n THR 73 Ca -0.02 -0.10 0.12 0.00 -3.05 0.00 0.00 64.05 61.00 1do9 n THR 73 Cb 0.12 0.06 0.05 0.00 -1.55 0.00 0.00 70.33 69.02 1do9 n THR 73 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 1do9 h PHE 74 N 0.00 0.00 -2.29 1.09 -1.00 -1.11 -3.45 116.94 110.17 1do9 h PHE 74 Ca 0.00 0.00 -0.54 0.00 2.81 0.00 0.00 57.97 60.24 1do9 h PHE 74 Cb 0.59 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.17 1do9 h PHE 74 CO 0.00 0.00 1.26 1.51 -1.61 0.00 0.00 178.31 179.47 1do9 n ILE 75 N -2.47 0.72 -0.15 -0.55 3.06 -0.99 -0.55 119.36 118.43 1do9 n ILE 75 Ca 0.01 -0.18 0.07 0.00 -2.50 0.00 0.00 62.75 60.15 1do9 n ILE 75 Cb 0.51 -2.33 0.18 0.00 0.54 0.00 0.00 39.64 38.54 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 5.80 0.92 -3.98 9.51 -6.64 -0.50 -4.92 119.36 119.55 1do9 n ILE 76 Ca 0.21 -0.96 0.00 0.00 -1.77 0.00 0.00 62.75 60.23 1do9 n ILE 76 Cb 0.41 0.56 0.00 0.00 -1.44 0.00 0.00 39.64 39.17 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 0.75 -1.06 3.43 3.28 0.00 -1.13 -4.64 105.19 105.83 1do9 n GLY 77 Ca 0.14 -1.19 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 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 1.61 0.34 1.61 -1.05 -1.26 -1.65 118.70 116.30 1do9 s GLU 78 Ca 0.00 -1.89 -0.29 0.00 -0.15 0.00 0.00 54.97 52.65 1do9 s GLU 78 Cb 0.00 -0.80 -0.11 0.00 -0.44 0.00 0.00 34.13 32.79 1do9 s GLU 78 CO 0.00 -0.19 1.39 -0.51 0.95 0.00 0.00 175.26 176.90 1do9 s LEU 79 N -3.46 4.38 0.61 1.83 1.02 -1.26 -1.54 118.68 120.27 1do9 s LEU 79 Ca 0.36 2.83 -0.18 0.00 0.02 0.00 0.00 54.13 57.17 1do9 s LEU 79 Cb 0.08 -3.65 -0.08 0.00 0.02 0.00 0.00 46.19 42.56 1do9 s LEU 79 CO 0.15 -0.68 0.49 1.41 0.02 0.00 0.00 176.35 177.73 1do9 n HIS 80 N 0.81 -0.85 -2.41 0.29 8.25 -0.79 -4.80 115.22 115.73 1do9 n HIS 80 Ca 0.01 0.41 -0.38 0.00 -0.26 0.00 0.00 57.72 57.50 1do9 n HIS 80 Cb 0.41 -1.93 -0.02 0.00 1.12 0.00 0.00 29.99 29.56 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 -2.23 3.43 0.00 -0.41 0.04 -1.26 -1.61 135.00 132.96 1do9 s PRO 81 Ca 0.67 -1.47 0.00 0.00 0.04 0.00 0.00 61.00 60.25 1do9 s PRO 81 Cb -0.42 -5.39 0.00 0.00 0.04 0.00 0.00 34.50 28.73 1do9 s PRO 81 CO 0.56 -2.75 0.00 -0.25 0.04 0.00 0.00 177.00 174.60 1do9 n ASP 82 N 10.39 0.00 0.30 6.66 8.00 -1.17 -4.73 116.55 136.00 1do9 n ASP 82 Ca 0.44 0.00 0.19 0.00 0.71 0.00 0.00 54.79 56.13 1do9 n ASP 82 Cb 0.47 0.00 0.89 0.00 -0.02 0.00 0.00 41.12 42.46 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 -0.36 -2.24 3.32 -1.63 -1.07 116.42 114.45 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 0.00 -1.14 -1.72 0.00 0.00 179.24 176.38 1do9 n ARG 84 N -3.10 2.35 -3.17 3.56 0.00 -1.26 -4.97 116.66 110.07 1do9 n ARG 84 Ca -0.01 -2.16 -0.21 0.00 -0.00 0.00 0.00 57.85 55.47 1do9 n ARG 84 Cb 0.22 -1.46 -0.00 0.00 0.00 0.00 0.00 32.46 31.22 1do9 n ARG 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1do9 n SER 85 N 1.30 -3.87 0.00 6.15 7.64 -0.41 -4.57 113.62 119.86 1do9 n SER 85 Ca 0.17 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1do9 n SER 85 Cb 0.55 -3.21 0.00 0.00 -1.01 0.00 0.00 64.21 60.54 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 -3.57 0.00 -1.67 1.43 4.76 -1.26 -5.06 118.16 112.79 1do9 n LYS 86 Ca -0.04 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.04 1do9 n LYS 86 Cb 0.56 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.72 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 -3.10 3.36 0.39 -0.35 1.43 -1.26 -4.61 118.68 114.55 1do9 s LEU 87 Ca 0.00 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 1do9 s LEU 87 Cb 0.00 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1do9 s LEU 87 CO 0.00 -2.81 0.00 -0.24 0.23 0.00 0.00 176.35 173.53 1do9 n SER 88 N 15.33 -8.14 -3.09 2.29 2.88 -1.26 -3.05 113.62 118.58 1do9 n SER 88 Ca 0.34 0.77 -0.04 0.00 -1.33 0.00 0.00 58.87 58.60 1do9 n SER 88 Cb 0.54 -4.35 -0.02 0.00 -0.75 0.00 0.00 64.21 59.63 1do9 n SER 88 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1do9 s LYS 89 N -2.74 0.88 1.21 -1.46 2.20 -1.26 -4.78 119.74 113.80 1do9 s LYS 89 Ca 0.00 -0.69 -0.20 0.00 -0.36 0.00 0.00 55.97 54.72 1do9 s LYS 89 Cb 0.00 -0.13 0.30 0.00 -1.51 0.00 0.00 37.83 36.49 1do9 s LYS 89 CO 0.00 -1.25 1.15 -1.25 -0.36 0.00 0.00 175.35 173.64 1do9 s PRO 90 N 1.40 -1.33 -0.21 4.03 0.04 -1.26 -5.09 135.00 132.58 1do9 s PRO 90 Ca 0.21 -0.25 -0.06 0.00 0.04 0.00 0.00 61.00 60.95 1do9 s PRO 90 Cb -0.04 -1.60 0.10 0.00 0.04 0.00 0.00 34.50 33.00 1do9 s PRO 90 CO -0.06 -3.75 0.42 1.41 0.04 0.00 0.00 177.00 175.06 1do9 s MET 91 N -5.57 0.33 0.31 4.56 1.75 -1.26 -5.16 119.30 114.26 1do9 s MET 91 Ca 0.73 0.94 0.03 0.00 -1.25 0.00 0.00 55.69 56.14 1do9 s MET 91 Cb -0.07 0.18 -0.06 0.00 2.84 0.00 0.00 34.83 37.72 1do9 s MET 91 CO 0.55 -0.34 0.06 -1.83 -0.65 0.00 0.00 175.02 172.82 1do9 s GLU 92 N 2.61 1.61 0.34 4.11 -1.05 -1.26 -5.17 118.70 119.88 1do9 s GLU 92 Ca 0.02 -1.88 -0.01 0.00 -0.15 0.00 0.00 54.97 52.95 1do9 s GLU 92 Cb -0.13 -0.76 0.00 0.00 -0.44 0.00 0.00 34.13 32.81 1do9 s GLU 92 CO -0.14 -0.20 0.45 -2.37 0.95 0.00 0.00 175.26 173.95 1do9 n THR 93 N -0.64 0.00 1.31 1.83 5.66 -1.26 -5.35 114.28 115.83 1do9 n THR 93 Ca -0.02 -1.79 0.10 0.00 -3.05 0.00 0.00 64.05 59.29 1do9 n THR 93 Cb 0.66 1.07 0.62 0.00 -1.55 0.00 0.00 70.33 71.14 1do9 n THR 93 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91