#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 0.08 0.00 -1.24 4.01 -1.26 -5.05 118.16 114.70 1do9 n LYS 2 Ca 0.00 0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 1do9 n LYS 2 Cb 0.00 -0.65 0.00 0.00 -0.51 0.00 0.00 35.03 33.87 1do9 n LYS 2 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1do9 n ASP 3 N -3.14 0.00 -3.70 4.39 8.00 -1.26 -5.06 116.55 115.78 1do9 n ASP 3 Ca -0.07 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.14 1do9 n ASP 3 Cb 0.55 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.53 1do9 n ASP 3 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1do9 s VAL 4 N 0.00 1.60 -2.26 2.53 1.01 -1.26 -3.24 120.40 118.79 1do9 s VAL 4 Ca 0.00 -3.04 0.30 0.00 0.00 0.00 0.00 61.98 59.24 1do9 s VAL 4 Cb 0.00 -2.09 0.71 0.00 0.00 0.00 0.00 36.38 35.00 1do9 s VAL 4 CO 0.00 -0.99 1.97 1.17 0.00 0.00 0.00 175.10 177.25 1do9 n LYS 5 N 2.99 1.34 -3.21 2.72 3.00 -1.21 -4.90 118.16 118.89 1do9 n LYS 5 Ca 0.16 -0.51 -0.08 0.00 -0.00 0.00 0.00 58.31 57.88 1do9 n LYS 5 Cb 0.37 -1.49 0.01 0.00 0.00 0.00 0.00 35.03 33.92 1do9 n LYS 5 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1do9 n TYR 6 N -0.38 -0.51 -3.96 5.64 4.01 -1.25 -4.95 117.16 115.75 1do9 n TYR 6 Ca 0.21 0.21 -0.30 0.00 -0.16 0.00 0.00 57.90 57.87 1do9 n TYR 6 Cb 0.24 -1.12 -0.04 0.00 -0.31 0.00 0.00 39.34 38.10 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 -1.07 3.42 0.26 -0.72 2.02 -0.84 -4.74 117.35 115.68 1do9 s TYR 7 Ca 0.07 0.17 -0.07 0.00 -0.37 0.00 0.00 57.07 56.87 1do9 s TYR 7 Cb -0.01 -1.70 -0.06 0.00 -0.40 0.00 0.00 41.96 39.79 1do9 s TYR 7 CO 0.17 0.56 0.55 0.95 -1.57 0.00 0.00 175.55 176.21 1do9 s THR 8 N -1.54 4.98 0.46 -0.71 -4.23 -1.26 -0.79 115.64 112.54 1do9 s THR 8 Ca 0.33 0.28 0.29 0.00 -1.18 0.00 0.00 61.69 61.41 1do9 s THR 8 Cb -0.12 -3.67 0.48 0.00 1.34 0.00 0.00 72.50 70.53 1do9 s THR 8 CO 0.27 -0.20 1.73 -0.07 -0.54 0.00 0.00 174.62 175.81 1do9 h LEU 9 N 2.11 0.24 0.00 4.79 -0.00 -1.99 0.79 115.31 121.25 1do9 h LEU 9 Ca -0.47 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.48 1do9 h LEU 9 Cb 1.18 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 1do9 h LEU 9 CO 0.68 -0.01 0.00 -0.62 -0.00 0.00 0.00 178.44 178.49 1do9 n GLU 10 N -4.47 0.00 -0.25 1.13 1.02 -1.26 -0.93 120.64 115.88 1do9 n GLU 10 Ca 0.30 0.72 0.05 0.00 -0.02 0.00 0.00 57.16 58.21 1do9 n GLU 10 Cb 1.20 -1.48 0.18 0.00 -0.02 0.00 0.00 31.44 31.31 1do9 n GLU 10 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1do9 h GLU 11 N 0.00 0.40 -0.20 3.49 4.39 -1.22 0.46 114.58 121.90 1do9 h GLU 11 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1do9 h GLU 11 Cb 0.00 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1do9 h GLU 11 CO 0.00 0.26 0.13 0.82 -1.16 0.00 0.00 179.01 179.06 1do9 h ILE 12 N 0.41 1.07 -0.02 3.13 2.04 -1.49 -0.76 117.51 121.90 1do9 h ILE 12 Ca 0.41 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 66.11 1do9 h ILE 12 Cb 0.63 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 1do9 h ILE 12 CO -0.41 0.07 0.00 2.29 0.00 0.00 0.00 178.15 180.09 1do9 n LYS 13 N -4.93 1.06 0.00 2.37 2.85 0.05 -2.96 118.16 116.60 1do9 n LYS 13 Ca -0.03 -0.09 0.08 0.00 -1.05 0.00 0.00 58.31 57.22 1do9 n LYS 13 Cb 0.04 -1.26 0.01 0.00 -0.65 0.00 0.00 35.03 33.17 1do9 n LYS 13 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1do9 n LYS 14 N -0.66 1.62 0.00 -1.58 0.00 0.14 -4.85 118.16 112.82 1do9 n LYS 14 Ca 0.12 -0.94 0.00 0.00 0.00 0.00 0.00 58.31 57.50 1do9 n LYS 14 Cb 0.08 -1.28 0.00 0.00 0.00 0.00 0.00 35.03 33.83 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 0.08 0.00 -2.99 5.64 8.25 -1.01 -4.87 115.22 120.31 1do9 n HIS 15 Ca 0.07 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.35 1do9 n HIS 15 Cb 0.35 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.46 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 -3.66 0.00 0.41 0.23 0.57 -4.88 115.26 107.94 1do9 n ASN 16 Ca 0.00 -0.14 0.00 0.00 -0.53 0.00 0.00 54.58 53.91 1do9 n ASN 16 Cb 0.00 -3.07 0.00 0.00 -2.08 0.00 0.00 39.78 34.63 1do9 n ASN 16 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1do9 n HIS 17 N -3.68 0.00 0.00 -2.53 8.25 -0.89 -5.00 115.22 111.37 1do9 n HIS 17 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1do9 n HIS 17 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 1do9 n HIS 17 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1do9 n SER 18 N -2.00 0.00 -1.68 0.41 2.88 -1.26 -4.91 113.62 107.06 1do9 n SER 18 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1do9 n SER 18 Cb 0.00 0.11 0.30 0.00 -0.75 0.00 0.00 64.21 63.88 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 -1.57 3.55 -3.15 -1.46 4.01 -1.26 -4.74 118.16 113.54 1do9 n LYS 19 Ca 0.00 -3.07 0.04 0.00 -0.51 0.00 0.00 58.31 54.78 1do9 n LYS 19 Cb 0.00 -2.11 -0.01 0.00 -0.51 0.00 0.00 35.03 32.40 1do9 n LYS 19 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1do9 s SER 20 N -1.34 -1.26 -0.44 4.39 1.04 -1.26 -5.00 113.70 109.83 1do9 s SER 20 Ca 0.52 0.46 0.02 0.00 0.48 0.00 0.00 55.95 57.43 1do9 s SER 20 Cb 0.42 1.93 0.13 0.00 0.10 0.00 0.00 66.02 68.59 1do9 s SER 20 CO 0.12 -0.23 0.23 -0.89 0.98 0.00 0.00 173.24 173.44 1do9 s THR 21 N 2.87 1.45 0.65 2.02 2.01 -1.26 -0.31 115.64 123.08 1do9 s THR 21 Ca 0.15 -2.53 -0.00 0.00 0.31 0.00 0.00 61.69 59.61 1do9 s THR 21 Cb -0.11 -2.02 0.09 0.00 0.01 0.00 0.00 72.50 70.46 1do9 s THR 21 CO -0.22 -0.87 0.91 0.26 -0.69 0.00 0.00 174.62 174.01 1do9 s TRP 22 N 0.39 2.16 -0.05 4.92 0.51 -1.26 -2.22 118.94 123.39 1do9 s TRP 22 Ca 0.17 -0.13 -0.31 0.00 -2.12 0.00 0.00 56.10 53.71 1do9 s TRP 22 Cb -0.24 -2.91 0.11 0.00 -0.81 0.00 0.00 33.47 29.62 1do9 s TRP 22 CO -0.01 -1.37 1.14 -0.48 -0.51 0.00 0.00 176.95 175.72 1do9 s LEU 23 N -5.00 -0.16 -0.20 2.99 0.05 -0.67 -0.78 118.68 114.91 1do9 s LEU 23 Ca 0.62 -0.11 -0.01 0.00 0.05 0.00 0.00 54.13 54.69 1do9 s LEU 23 Cb -0.08 1.62 0.01 0.00 -2.05 0.00 0.00 46.19 45.69 1do9 s LEU 23 CO 0.42 -0.43 -0.14 -0.63 -0.55 0.00 0.00 176.35 175.03 1do9 s ILE 24 N -2.68 2.54 -0.27 1.48 -1.09 -0.22 -0.99 121.20 119.98 1do9 s ILE 24 Ca 0.11 -0.82 0.09 0.00 -2.23 0.00 0.00 60.65 57.80 1do9 s ILE 24 Cb 0.01 -2.13 0.21 0.00 -1.58 0.00 0.00 42.46 38.97 1do9 s ILE 24 CO -0.04 0.46 1.15 0.18 -1.23 0.00 0.00 174.94 175.47 1do9 n LEU 25 N 4.68 2.56 0.00 2.97 4.77 -1.25 -0.97 117.00 129.75 1do9 n LEU 25 Ca -0.20 -2.39 0.00 0.00 -0.03 0.00 0.00 56.01 53.39 1do9 n LEU 25 Cb 0.50 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1do9 n LEU 25 CO 0.27 0.63 0.00 0.00 -1.33 0.00 0.00 177.39 176.95 1do9 n HIS 26 N -0.48 0.00 -3.14 -1.77 1.44 -1.26 -4.54 115.22 105.47 1do9 n HIS 26 Ca 0.09 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.62 1do9 n HIS 26 Cb 0.47 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.54 1do9 n HIS 26 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1do9 n HIS 27 N 0.00 -0.58 -4.06 -1.40 8.25 -1.26 -4.88 115.22 111.29 1do9 n HIS 27 Ca 0.00 0.32 -0.10 0.00 -0.26 0.00 0.00 57.72 57.68 1do9 n HIS 27 Cb 0.00 -1.08 -0.07 0.00 1.12 0.00 0.00 29.99 29.96 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 -4.45 1.36 -0.27 -0.41 3.01 -1.26 -4.24 119.74 113.48 1do9 s LYS 28 Ca 0.26 -1.36 0.01 0.00 -1.01 0.00 0.00 55.97 53.86 1do9 s LYS 28 Cb -0.15 0.39 0.05 0.00 -1.01 0.00 0.00 37.83 37.11 1do9 s LYS 28 CO 0.50 -0.52 -0.06 0.08 0.51 0.00 0.00 175.35 175.85 1do9 s VAL 29 N -4.06 2.56 0.10 3.17 1.01 -0.55 -3.94 120.40 118.70 1do9 s VAL 29 Ca 0.27 -1.47 -0.12 0.00 0.00 0.00 0.00 61.98 60.66 1do9 s VAL 29 Cb 0.03 -2.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.88 1do9 s VAL 29 CO 0.08 -0.03 0.47 -0.31 0.00 0.00 0.00 175.10 175.31 1do9 s TYR 30 N 1.19 3.61 -0.29 5.22 2.02 -0.16 -1.67 117.35 127.27 1do9 s TYR 30 Ca -0.06 0.93 0.03 0.00 -0.37 0.00 0.00 57.07 57.60 1do9 s TYR 30 Cb -0.19 -2.27 0.07 0.00 -0.40 0.00 0.00 41.96 39.17 1do9 s TYR 30 CO -0.04 0.49 -0.06 0.34 -1.57 0.00 0.00 175.55 174.72 1do9 s ASP 31 N -1.67 4.56 -0.23 2.29 -1.08 -0.09 -1.66 116.67 118.79 1do9 s ASP 31 Ca 0.34 -1.65 0.12 0.00 -0.52 0.00 0.00 52.55 50.84 1do9 s ASP 31 Cb -0.15 -1.58 0.45 0.00 -1.46 0.00 0.00 42.92 40.18 1do9 s ASP 31 CO 0.18 -0.25 1.33 0.18 0.52 0.00 0.00 175.17 177.12 1do9 n LEU 32 N 4.37 3.33 0.22 -1.34 4.77 -0.94 -4.57 117.00 122.84 1do9 n LEU 32 Ca -0.08 -3.67 -0.16 0.00 -0.03 0.00 0.00 56.01 52.08 1do9 n LEU 32 Cb 0.42 -0.56 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 1do9 n LEU 32 CO 0.21 1.19 0.62 0.74 -1.33 0.00 0.00 177.39 178.83 1do9 h THR 33 N 0.94 0.25 0.00 -5.08 2.02 -1.93 0.54 112.91 109.65 1do9 h THR 33 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.27 1do9 h THR 33 Cb 1.30 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1do9 h THR 33 CO 0.17 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.23 1do9 n LYS 34 N -5.47 0.78 -0.00 6.66 0.00 -1.26 -2.64 118.16 116.23 1do9 n LYS 34 Ca -0.10 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.26 1do9 n LYS 34 Cb 0.37 -1.30 -0.06 0.00 0.00 0.00 0.00 35.03 34.04 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 -0.80 0.00 0.01 5.64 7.35 -0.13 -4.46 117.46 125.07 1do9 n PHE 35 Ca 0.11 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.75 1do9 n PHE 35 Cb 0.05 -0.07 -0.03 0.00 0.35 0.00 0.00 39.48 39.78 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 -0.52 -0.84 -2.13 3.38 0.24 0.74 115.31 116.18 1do9 h LEU 36 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1do9 h LEU 36 Cb 0.27 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1do9 h LEU 36 CO 0.00 -0.16 0.00 -0.33 0.09 0.00 0.00 178.44 178.04 1do9 h GLU 37 N -0.20 0.00 -0.09 1.13 4.39 -1.86 -2.23 114.58 115.72 1do9 h GLU 37 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1do9 h GLU 37 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1do9 h GLU 37 CO -0.11 0.00 0.00 -1.91 -1.16 0.00 0.00 179.01 175.83 1do9 n GLU 38 N -2.45 1.47 -3.07 2.33 0.00 -0.15 -4.86 120.64 113.90 1do9 n GLU 38 Ca 0.02 -0.70 -0.40 0.00 0.00 0.00 0.00 57.16 56.08 1do9 n GLU 38 Cb 0.26 -1.39 -0.05 0.00 0.00 0.00 0.00 31.44 30.26 1do9 n GLU 38 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1do9 s HIS 39 N -1.90 3.42 -0.95 4.31 2.46 0.24 -4.97 115.29 117.91 1do9 s HIS 39 Ca 0.33 1.04 -0.24 0.00 0.47 0.00 0.00 55.06 56.66 1do9 s HIS 39 Cb 0.17 -2.84 -0.06 0.00 -0.13 0.00 0.00 32.58 29.72 1do9 s HIS 39 CO 0.27 -0.14 1.96 -1.25 -2.47 0.00 0.00 174.74 173.11 1do9 s PRO 40 N 1.78 2.50 0.00 2.88 0.04 -1.26 -3.76 135.00 137.17 1do9 s PRO 40 Ca 0.32 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.95 1do9 s PRO 40 Cb -0.16 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.30 1do9 s PRO 40 CO 0.12 -3.53 0.00 0.41 0.04 0.00 0.00 177.00 174.04 1do9 n GLY 41 N 6.68 -0.24 3.47 0.56 0.00 -1.26 -5.11 105.19 109.29 1do9 n GLY 41 Ca 0.41 0.16 -0.14 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.43 -0.05 -0.02 0.00 -1.25 -5.05 107.32 100.53 1do9 s GLY 42 Ca 0.00 1.61 -0.06 0.00 0.00 0.00 0.00 44.72 46.27 1do9 s GLY 42 CO 0.00 1.39 0.65 1.05 0.00 0.00 0.00 173.10 176.19 1do9 h GLU 43 N 5.25 0.30 -0.28 2.90 -0.00 -1.83 -3.34 114.58 117.56 1do9 h GLU 43 Ca -0.28 -0.51 -0.14 0.00 -0.00 0.00 0.00 59.36 58.43 1do9 h GLU 43 Cb 1.17 0.19 -0.01 0.00 -0.00 0.00 0.00 28.75 30.10 1do9 h GLU 43 CO 0.15 1.18 -0.39 1.49 -0.00 0.00 0.00 179.01 181.44 1do9 h GLU 44 N 0.08 0.66 -0.58 1.06 4.81 -1.97 0.67 114.58 119.31 1do9 h GLU 44 Ca -0.33 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 58.58 1do9 h GLU 44 Cb 2.06 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.41 1do9 h GLU 44 CO 0.15 0.94 0.38 -0.39 -0.73 0.00 0.00 179.01 179.36 1do9 h VAL 45 N 0.54 1.12 0.00 0.32 -1.51 -1.99 0.25 116.25 114.98 1do9 h VAL 45 Ca 0.05 -0.25 -0.02 0.00 -1.23 0.00 0.00 66.70 65.24 1do9 h VAL 45 Cb 0.91 0.31 -0.00 0.00 -2.13 0.00 0.00 31.29 30.38 1do9 h VAL 45 CO 0.08 0.14 -0.10 -0.07 -1.23 0.00 0.00 177.57 176.39 1do9 h LEU 46 N 0.74 0.00 -0.27 4.19 3.38 -0.99 -1.97 115.31 120.38 1do9 h LEU 46 Ca 0.22 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.08 1do9 h LEU 46 Cb -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1do9 h LEU 46 CO -0.05 0.10 -0.54 -0.09 0.09 0.00 0.00 178.44 177.94 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 2.43 -0.34 -2.71 114.38 114.90 1do9 h ARG 47 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1do9 h ARG 47 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1do9 h ARG 47 CO 0.01 0.54 0.00 0.93 -1.51 0.00 0.00 179.97 179.95 1do9 h GLU 48 N 0.00 0.00 0.00 0.20 5.08 -0.29 -2.03 114.58 117.54 1do9 h GLU 48 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1do9 h GLU 48 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1do9 h GLU 48 CO 0.07 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.12 1do9 n GLN 49 N -3.05 2.00 -1.73 2.33 1.13 -1.23 -5.04 117.38 111.78 1do9 n GLN 49 Ca -0.00 -1.25 -0.38 0.00 -1.94 0.00 0.00 57.00 53.43 1do9 n GLN 49 Cb 0.23 -1.00 0.05 0.00 0.11 0.00 0.00 30.24 29.64 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 -0.37 1.39 -1.66 -1.58 0.00 -0.77 -1.65 120.51 115.87 1do9 n ALA 50 Ca 0.00 0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.34 1do9 n ALA 50 Cb 0.19 -2.33 -0.08 0.00 0.00 0.00 0.00 19.45 17.23 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 0.83 1.60 3.37 0.00 0.00 0.04 -4.85 105.19 106.17 1do9 n GLY 51 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.59 1.46 -0.86 -0.02 0.00 -0.66 -4.09 107.32 100.56 1do9 s GLY 52 Ca 0.00 -1.57 -0.25 0.00 0.00 0.00 0.00 44.72 42.90 1do9 s GLY 52 CO 0.00 -1.16 1.44 0.51 0.00 0.00 0.00 173.10 173.89 1do9 s ASP 53 N -3.20 6.17 0.00 1.64 -4.77 -1.26 -1.05 116.67 114.20 1do9 s ASP 53 Ca 0.34 -0.83 0.26 0.00 -3.30 0.00 0.00 52.55 49.03 1do9 s ASP 53 Cb 0.03 -2.56 0.70 0.00 -1.09 0.00 0.00 42.92 40.00 1do9 s ASP 53 CO 0.17 -1.80 1.53 0.00 0.70 0.00 0.00 175.17 175.77 1do9 n ALA 54 N 9.74 2.98 -0.21 2.11 0.00 -0.18 -4.44 120.51 130.52 1do9 n ALA 54 Ca 0.19 -0.46 0.01 0.00 0.00 0.00 0.00 53.44 53.18 1do9 n ALA 54 Cb 0.50 -1.08 0.09 0.00 0.00 0.00 0.00 19.45 18.96 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 1.84 0.43 -0.37 0.00 2.02 -1.29 0.14 112.91 115.68 1do9 h THR 55 Ca 0.00 -0.02 0.07 0.00 0.77 0.00 0.00 66.41 67.22 1do9 h THR 55 Cb 0.56 0.36 -0.06 0.00 -1.74 0.00 0.00 68.15 67.27 1do9 h THR 55 CO 0.00 0.01 0.01 -0.33 0.37 0.00 0.00 175.52 175.58 1do9 h GLU 56 N 0.07 0.11 0.46 6.66 4.39 -1.88 -1.12 114.58 123.28 1do9 h GLU 56 Ca 0.32 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.00 1do9 h GLU 56 Cb 0.52 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1do9 h GLU 56 CO -0.58 0.07 -0.31 -0.97 -1.16 0.00 0.00 179.01 176.06 1do9 h ASN 57 N 0.11 -0.79 -0.76 1.42 -0.73 -1.15 0.46 115.58 114.14 1do9 h ASN 57 Ca 0.18 0.05 0.12 0.00 1.87 0.00 0.00 56.30 58.51 1do9 h ASN 57 Cb 0.25 0.23 -0.12 0.00 0.27 0.00 0.00 38.32 38.95 1do9 h ASN 57 CO -0.29 -0.46 -0.31 0.33 -0.37 0.00 0.00 177.43 176.33 1do9 n PHE 58 N -4.26 0.00 0.02 0.67 -0.00 0.23 -1.93 117.46 112.19 1do9 n PHE 58 Ca -0.09 0.94 -0.19 0.00 -0.00 0.00 0.00 57.45 58.11 1do9 n PHE 58 Cb 0.31 -0.77 -0.10 0.00 -0.00 0.00 0.00 39.48 38.92 1do9 n PHE 58 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1do9 h GLU 59 N 0.00 0.64 0.01 -4.13 4.39 -0.95 -1.83 114.58 112.70 1do9 h GLU 59 Ca 0.26 -0.65 0.03 0.00 0.34 0.00 0.00 59.36 59.33 1do9 h GLU 59 Cb 0.45 0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 29.22 1do9 h GLU 59 CO -0.76 1.25 -0.36 -0.44 -1.16 0.00 0.00 179.01 177.55 1do9 h ASP 60 N 0.29 -1.07 -0.47 1.42 5.19 -0.26 -1.08 116.42 120.44 1do9 h ASP 60 Ca -0.10 0.14 -0.11 0.00 -0.62 0.00 0.00 57.03 56.33 1do9 h ASP 60 Cb 1.54 0.42 -0.01 0.00 0.18 0.00 0.00 39.33 41.46 1do9 h ASP 60 CO 0.17 -0.41 -0.15 -0.37 -3.12 0.00 0.00 179.24 175.36 1do9 h VAL 61 N -0.51 1.27 -2.35 -1.35 -1.51 -1.49 -3.48 116.25 106.83 1do9 h VAL 61 Ca 0.06 -1.29 0.00 0.00 -1.23 0.00 0.00 66.70 64.23 1do9 h VAL 61 Cb 0.60 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 1do9 h VAL 61 CO -0.28 0.45 0.00 0.61 -1.23 0.00 0.00 177.57 177.11 1do9 n GLY 62 N -0.17 0.79 0.00 5.19 0.00 -0.41 -4.99 105.19 105.60 1do9 n GLY 62 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.17 0.00 0.00 1.61 8.25 -1.18 -4.96 115.22 117.77 1do9 n HIS 63 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1do9 n HIS 63 Cb 0.43 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.39 1do9 n HIS 63 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1do9 n SER 64 N -1.47 0.00 -0.09 0.41 3.41 -1.26 -4.99 113.62 109.63 1do9 n SER 64 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1do9 n SER 64 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1do9 n SER 64 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1do9 h THR 65 N 0.41 1.27 0.00 6.66 2.02 -1.98 -1.66 112.91 119.64 1do9 h THR 65 Ca 0.00 -1.01 -0.08 0.00 0.77 0.00 0.00 66.41 66.08 1do9 h THR 65 Cb 0.00 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1do9 h THR 65 CO 0.00 0.32 -0.39 -0.78 0.37 0.00 0.00 175.52 175.04 1do9 h ASP 66 N 0.23 0.00 -0.27 4.18 3.58 -1.99 0.73 116.42 122.87 1do9 h ASP 66 Ca 0.07 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.47 1do9 h ASP 66 Cb 0.49 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 1do9 h ASP 66 CO 0.02 0.39 -0.03 0.00 -2.88 0.00 0.00 179.24 176.74 1do9 h ALA 67 N 1.61 0.37 0.00 -0.78 0.00 -1.94 -0.62 119.26 117.91 1do9 h ALA 67 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1do9 h ALA 67 Cb 0.72 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1do9 h ALA 67 CO 0.05 0.14 0.00 -2.13 0.00 0.00 0.00 179.25 177.31 1do9 n ARG 68 N -4.57 0.14 -0.12 0.00 0.63 0.17 -2.13 116.66 110.78 1do9 n ARG 68 Ca -0.03 0.54 -0.23 0.00 -0.92 0.00 0.00 57.85 57.21 1do9 n ARG 68 Cb 0.28 -1.87 -0.10 0.00 0.45 0.00 0.00 32.46 31.22 1do9 n ARG 68 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1do9 n GLU 69 N -2.15 0.56 0.23 -0.14 -0.58 -0.74 -4.42 120.64 113.40 1do9 n GLU 69 Ca 0.00 0.20 0.06 0.00 -0.42 0.00 0.00 57.16 56.99 1do9 n GLU 69 Cb 0.10 -1.43 0.53 0.00 -0.57 0.00 0.00 31.44 30.07 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 -0.54 0.00 -1.89 -4.62 -0.00 -1.02 -0.96 115.31 106.28 1do9 h LEU 70 Ca -0.60 -0.00 0.21 0.00 -0.00 0.00 0.00 57.88 57.49 1do9 h LEU 70 Cb 1.67 -0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 42.29 1do9 h LEU 70 CO -0.27 0.15 0.55 0.28 -0.00 0.00 0.00 178.44 179.15 1do9 h SER 71 N 0.00 0.10 0.00 0.17 0.02 -1.64 -0.21 113.55 111.99 1do9 h SER 71 Ca -0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1do9 h SER 71 Cb 0.26 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1do9 h SER 71 CO 0.02 0.04 0.23 0.50 -1.14 0.00 0.00 176.83 176.48 1do9 h LYS 72 N 0.10 0.00 -0.06 3.45 1.63 -1.40 -0.08 116.57 120.22 1do9 h LYS 72 Ca 0.38 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.18 1do9 h LYS 72 Cb 1.36 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.99 1do9 h LYS 72 CO -0.04 0.00 0.00 -2.37 -3.45 0.00 0.00 179.45 173.59 1do9 n THR 73 N -2.71 0.00 0.00 1.00 5.66 -0.09 -3.49 114.28 114.64 1do9 n THR 73 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1do9 n THR 73 Cb 0.27 -0.10 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 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 -0.46 0.00 -1.67 1.09 3.72 -0.04 -5.02 117.46 115.07 1do9 n PHE 74 Ca 0.00 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.96 1do9 n PHE 74 Cb 0.01 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.53 1do9 n PHE 74 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1do9 n ILE 75 N -1.24 1.12 -0.43 4.37 3.06 -1.23 -0.91 119.36 124.10 1do9 n ILE 75 Ca 0.00 -0.28 0.00 0.00 -2.50 0.00 0.00 62.75 59.97 1do9 n ILE 75 Cb 0.21 -1.49 0.00 0.00 0.54 0.00 0.00 39.64 38.90 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 1.66 0.28 -3.30 9.51 -6.64 -0.67 -4.87 119.36 115.33 1do9 n ILE 76 Ca 0.10 -0.43 0.00 0.00 -1.77 0.00 0.00 62.75 60.66 1do9 n ILE 76 Cb 0.32 1.07 0.00 0.00 -1.44 0.00 0.00 39.64 39.60 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 -0.14 -1.60 3.49 3.28 0.00 -1.20 -3.29 105.19 105.72 1do9 n GLY 77 Ca 0.00 -1.26 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 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 1.76 0.76 1.61 -1.05 -1.26 -1.48 118.70 117.04 1do9 s GLU 78 Ca 0.00 -2.01 -0.15 0.00 -0.15 0.00 0.00 54.97 52.66 1do9 s GLU 78 Cb 0.00 -0.84 0.02 0.00 -0.44 0.00 0.00 34.13 32.87 1do9 s GLU 78 CO 0.00 -0.27 0.92 1.28 0.95 0.00 0.00 175.26 178.14 1do9 n LEU 79 N -0.78 3.06 -4.46 1.83 7.99 -1.26 -1.99 117.00 121.39 1do9 n LEU 79 Ca -0.04 0.61 -0.33 0.00 -0.01 0.00 0.00 56.01 56.23 1do9 n LEU 79 Cb 0.66 -1.39 0.12 0.00 -0.11 0.00 0.00 43.42 42.70 1do9 n LEU 79 CO 0.40 -2.23 0.04 1.57 -1.51 0.00 0.00 177.39 175.67 1do9 n HIS 80 N -2.79 -1.02 0.26 -1.77 -0.00 0.03 -4.63 115.22 105.30 1do9 n HIS 80 Ca 0.12 0.27 0.13 0.00 0.46 0.00 0.00 57.72 58.71 1do9 n HIS 80 Cb 0.50 -1.84 0.67 0.00 -0.12 0.00 0.00 29.99 29.20 1do9 n HIS 80 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1do9 h PRO 81 N -1.33 0.00 -0.46 1.57 0.13 -1.91 -1.02 132.00 128.97 1do9 h PRO 81 Ca -0.44 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 1do9 h PRO 81 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1do9 h PRO 81 CO 0.37 0.13 -0.06 -0.44 -0.23 0.00 0.00 178.00 177.76 1do9 h ASP 82 N 0.00 0.78 -0.07 1.44 5.19 -1.99 -2.81 116.42 118.96 1do9 h ASP 82 Ca -0.00 -0.22 -0.01 0.00 -0.62 0.00 0.00 57.03 56.18 1do9 h ASP 82 Cb 0.47 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1do9 h ASP 82 CO 0.02 0.89 0.01 -0.67 -3.12 0.00 0.00 179.24 176.37 1do9 n ASP 83 N -4.18 1.80 -0.02 6.45 2.03 -0.39 -1.64 116.55 120.59 1do9 n ASP 83 Ca 0.02 -2.11 -0.21 0.00 0.52 0.00 0.00 54.79 53.01 1do9 n ASP 83 Cb 0.34 -0.52 -0.13 0.00 -0.72 0.00 0.00 41.12 40.09 1do9 n ASP 83 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1do9 h ARG 84 N 0.36 0.17 0.00 -0.67 2.43 -1.53 -3.46 114.38 111.68 1do9 h ARG 84 Ca 0.01 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1do9 h ARG 84 Cb 0.76 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1do9 h ARG 84 CO 0.06 1.14 0.00 0.45 -1.51 0.00 0.00 179.97 180.12 1do9 n SER 85 N -4.03 0.00 0.07 -3.80 2.88 -1.26 -5.07 113.62 102.41 1do9 n SER 85 Ca -0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 1do9 n SER 85 Cb 0.84 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 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 0.00 0.00 -4.37 -1.46 0.00 -1.22 -5.04 118.16 106.06 1do9 n LYS 86 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 58.31 57.94 1do9 n LYS 86 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 1do9 n LYS 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1do9 n LEU 87 N -2.83 -1.18 -3.97 3.14 4.77 -0.65 -4.90 117.00 111.37 1do9 n LEU 87 Ca 0.00 -1.18 -0.09 0.00 -0.03 0.00 0.00 56.01 54.71 1do9 n LEU 87 Cb 0.00 -1.77 -0.05 0.00 -2.33 0.00 0.00 43.42 39.27 1do9 n LEU 87 CO 0.00 0.25 0.20 -0.55 -1.33 0.00 0.00 177.39 175.96 1do9 s SER 88 N -3.59 -0.11 -0.31 -1.43 0.15 -1.26 -5.11 113.70 102.04 1do9 s SER 88 Ca 0.57 -0.88 -0.00 0.00 0.70 0.00 0.00 55.95 56.34 1do9 s SER 88 Cb -0.33 0.59 0.19 0.00 -1.71 0.00 0.00 66.02 64.77 1do9 s SER 88 CO 0.99 -1.15 0.78 -0.75 1.20 0.00 0.00 173.24 174.31 1do9 s LYS 89 N -4.00 0.43 1.03 5.44 2.47 -1.26 -5.17 119.74 118.69 1do9 s LYS 89 Ca 0.21 0.26 -0.16 0.00 -1.56 0.00 0.00 55.97 54.72 1do9 s LYS 89 Cb -0.01 0.15 0.21 0.00 -1.46 0.00 0.00 37.83 36.73 1do9 s LYS 89 CO 0.08 -0.76 1.20 -1.25 0.16 0.00 0.00 175.35 174.78 1do9 s PRO 90 N 2.67 0.12 0.05 4.03 0.04 -1.26 -5.05 135.00 135.60 1do9 s PRO 90 Ca 0.17 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.10 1do9 s PRO 90 Cb -0.06 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1do9 s PRO 90 CO -0.22 -2.81 0.00 -0.12 0.04 0.00 0.00 177.00 173.89 1do9 n MET 91 N -4.11 0.00 -0.78 4.56 1.56 -1.26 -5.16 117.12 111.92 1do9 n MET 91 Ca 0.12 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.55 1do9 n MET 91 Cb 0.59 -0.50 0.00 0.00 2.15 0.00 0.00 33.22 35.46 1do9 n MET 91 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1do9 n GLU 92 N -3.25 -2.22 -3.74 2.12 4.07 -1.26 -5.10 120.64 111.27 1do9 n GLU 92 Ca 0.00 1.66 -0.14 0.00 -0.06 0.00 0.00 57.16 58.63 1do9 n GLU 92 Cb 0.25 -1.90 -0.09 0.00 -0.06 0.00 0.00 31.44 29.64 1do9 n GLU 92 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1do9 s THR 93 N -3.05 0.04 -2.00 6.31 2.01 -1.26 -5.35 115.64 112.34 1do9 s THR 93 Ca 0.00 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1do9 s THR 93 Cb 0.00 -0.62 0.04 0.00 0.01 0.00 0.00 72.50 71.92 1do9 s THR 93 CO 0.00 -0.17 0.57 -0.11 -0.69 0.00 0.00 174.62 174.22