#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 0.88 -0.25 -0.67 -2.85 -1.26 -5.06 119.74 110.54 1do9 s LYS 2 Ca 0.00 -0.26 0.21 0.00 -1.00 0.00 0.00 55.97 54.93 1do9 s LYS 2 Cb 0.00 0.40 0.50 0.00 -2.06 0.00 0.00 37.83 36.66 1do9 s LYS 2 CO 0.00 -0.29 1.12 -3.47 0.10 0.00 0.00 175.35 172.82 1do9 n ASP 3 N 0.72 1.89 0.00 0.03 2.03 -1.26 -5.05 116.55 114.91 1do9 n ASP 3 Ca -0.19 -2.22 0.00 0.00 0.52 0.00 0.00 54.79 52.90 1do9 n ASP 3 Cb 0.59 -0.45 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 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 -0.54 0.00 -3.17 5.18 0.31 -1.26 -5.06 118.33 113.78 1do9 n VAL 4 Ca 0.11 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.21 1do9 n VAL 4 Cb 0.84 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.72 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 1.65 -2.56 5.55 4.01 -1.26 -5.04 118.16 120.51 1do9 n LYS 5 Ca 0.00 -3.87 -0.41 0.00 -0.51 0.00 0.00 58.31 53.52 1do9 n LYS 5 Cb 0.00 -1.78 -0.03 0.00 -0.51 0.00 0.00 35.03 32.71 1do9 n LYS 5 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1do9 s TYR 6 N -2.34 2.53 0.30 2.13 1.51 -1.24 -1.38 117.35 118.85 1do9 s TYR 6 Ca 0.41 -0.84 -0.09 0.00 -1.01 0.00 0.00 57.07 55.54 1do9 s TYR 6 Cb 0.26 -4.70 -0.07 0.00 -0.11 0.00 0.00 41.96 37.34 1do9 s TYR 6 CO -0.09 -1.94 0.62 0.71 -1.11 0.00 0.00 175.55 173.74 1do9 s TYR 7 N 5.00 3.44 0.24 2.71 2.02 -1.18 -4.77 117.35 124.82 1do9 s TYR 7 Ca 0.46 0.88 0.03 0.00 -0.37 0.00 0.00 57.07 58.07 1do9 s TYR 7 Cb 0.00 -2.29 -0.03 0.00 -0.40 0.00 0.00 41.96 39.24 1do9 s TYR 7 CO -0.10 0.14 0.40 0.95 -1.57 0.00 0.00 175.55 175.37 1do9 s THR 8 N -2.04 5.22 0.23 -0.71 -4.23 -1.26 -0.63 115.64 112.23 1do9 s THR 8 Ca 0.48 -0.71 -0.07 0.00 -1.18 0.00 0.00 61.69 60.21 1do9 s THR 8 Cb -0.11 -3.82 0.18 0.00 1.34 0.00 0.00 72.50 70.10 1do9 s THR 8 CO 0.25 -0.32 1.84 -0.07 -0.54 0.00 0.00 174.62 175.78 1do9 h LEU 9 N 1.37 0.73 -1.95 4.79 -0.00 -1.96 0.24 115.31 118.53 1do9 h LEU 9 Ca -0.50 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.39 1do9 h LEU 9 Cb 1.22 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1do9 h LEU 9 CO 0.63 0.47 -0.05 1.05 -0.00 0.00 0.00 178.44 180.54 1do9 h GLU 10 N 0.86 0.00 -0.11 1.13 4.11 -1.97 -1.20 114.58 117.40 1do9 h GLU 10 Ca 0.34 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.73 1do9 h GLU 10 Cb 0.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1do9 h GLU 10 CO -0.17 0.05 -0.09 1.49 0.07 0.00 0.00 179.01 180.36 1do9 h GLU 11 N 0.00 0.26 -0.11 1.06 4.22 -0.95 -0.46 114.58 118.60 1do9 h GLU 11 Ca -0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 59.36 59.30 1do9 h GLU 11 Cb 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1do9 h GLU 11 CO 0.01 0.64 0.03 0.82 -2.18 0.00 0.00 179.01 178.33 1do9 h ILE 12 N -0.12 1.17 0.00 2.32 2.04 -0.70 -1.35 117.51 120.87 1do9 h ILE 12 Ca 0.02 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1do9 h ILE 12 Cb 0.58 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1do9 h ILE 12 CO 0.02 0.16 0.00 0.29 0.00 0.00 0.00 178.15 178.62 1do9 n LYS 13 N -4.89 0.04 0.23 2.37 5.02 -0.51 -1.61 118.16 118.81 1do9 n LYS 13 Ca -0.06 0.28 0.16 0.00 -2.02 0.00 0.00 58.31 56.67 1do9 n LYS 13 Cb 0.14 -1.57 0.76 0.00 -0.02 0.00 0.00 35.03 34.34 1do9 n LYS 13 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1do9 h LYS 14 N 0.00 0.00 0.00 1.97 3.64 0.13 -3.41 116.57 118.90 1do9 h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1do9 h LYS 14 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1do9 h LYS 14 CO 0.00 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.90 1do9 n HIS 15 N -2.63 0.00 -2.00 1.91 8.25 -0.63 -4.91 115.22 115.22 1do9 n HIS 15 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 1do9 n HIS 15 Cb 0.13 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 1do9 n HIS 15 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1do9 n ASN 16 N 0.00 -3.80 -4.36 0.41 3.02 -1.26 -5.01 115.26 104.25 1do9 n ASN 16 Ca 0.00 0.06 -0.22 0.00 -0.03 0.00 0.00 54.58 54.39 1do9 n ASN 16 Cb 0.00 -2.86 -0.11 0.00 -0.61 0.00 0.00 39.78 36.21 1do9 n ASN 16 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1do9 s HIS 17 N -2.52 1.89 -0.99 3.10 -3.43 -1.26 -5.00 115.29 107.08 1do9 s HIS 17 Ca 0.00 -0.47 -0.18 0.00 -0.80 0.00 0.00 55.06 53.61 1do9 s HIS 17 Cb 0.00 -0.90 -0.09 0.00 -1.43 0.00 0.00 32.58 30.15 1do9 s HIS 17 CO 0.00 0.40 2.06 0.45 -2.00 0.00 0.00 174.74 175.65 1do9 n SER 18 N -0.02 3.34 0.00 7.38 2.88 -1.26 -2.52 113.62 123.42 1do9 n SER 18 Ca -0.11 -2.67 0.00 0.00 -1.33 0.00 0.00 58.87 54.76 1do9 n SER 18 Cb 0.58 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1do9 n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1do9 n LYS 19 N 6.34 0.00 -2.91 -1.46 4.81 -1.26 -5.01 118.16 118.67 1do9 n LYS 19 Ca 0.51 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.82 1do9 n LYS 19 Cb 0.36 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.45 1do9 n LYS 19 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1do9 n SER 20 N -0.37 -1.23 -4.55 3.14 7.64 -1.05 -4.91 113.62 112.29 1do9 n SER 20 Ca 0.00 -3.37 -0.26 0.00 1.01 0.00 0.00 58.87 56.25 1do9 n SER 20 Cb 0.00 0.94 -0.06 0.00 -1.01 0.00 0.00 64.21 64.08 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 0.56 -0.04 -2.78 0.44 -1.04 -1.16 -4.14 114.28 106.12 1do9 n THR 21 Ca 0.13 -0.63 -0.20 0.00 -2.04 0.00 0.00 64.05 61.32 1do9 n THR 21 Cb 0.67 -2.24 0.03 0.00 -1.82 0.00 0.00 70.33 66.97 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 12.74 2.67 0.23 -1.42 0.52 -1.26 -1.40 118.94 131.02 1do9 s TRP 22 Ca 0.99 -0.20 -0.21 0.00 0.02 0.00 0.00 56.10 56.70 1do9 s TRP 22 Cb -0.23 -2.62 0.06 0.00 -1.15 0.00 0.00 33.47 29.53 1do9 s TRP 22 CO 0.21 -0.80 0.94 -0.48 0.02 0.00 0.00 176.95 176.84 1do9 s LEU 23 N -4.65 -0.06 -0.44 2.99 0.05 -0.90 -1.11 118.68 114.56 1do9 s LEU 23 Ca 0.57 -0.71 -0.07 0.00 0.05 0.00 0.00 54.13 53.98 1do9 s LEU 23 Cb -0.10 2.32 0.11 0.00 -2.05 0.00 0.00 46.19 46.47 1do9 s LEU 23 CO 0.37 -1.15 0.28 -0.63 -0.55 0.00 0.00 176.35 174.67 1do9 s ILE 24 N -2.61 3.89 -0.51 1.48 -1.09 -0.13 -2.63 121.20 119.60 1do9 s ILE 24 Ca 0.17 -1.83 -0.14 0.00 -2.23 0.00 0.00 60.65 56.62 1do9 s ILE 24 Cb -0.03 -3.57 0.12 0.00 -1.58 0.00 0.00 42.46 37.40 1do9 s ILE 24 CO 0.06 -0.71 0.44 -0.76 -1.23 0.00 0.00 174.94 172.74 1do9 s LEU 25 N 1.29 5.96 0.00 2.97 1.43 -1.21 -1.23 118.68 127.89 1do9 s LEU 25 Ca 0.06 -1.75 0.00 0.00 -1.03 0.00 0.00 54.13 51.41 1do9 s LEU 25 Cb -0.25 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.82 1do9 s LEU 25 CO -0.02 -0.78 0.00 1.41 0.23 0.00 0.00 176.35 177.19 1do9 n HIS 26 N 5.15 -1.24 0.20 0.29 8.25 -1.26 -3.57 115.22 123.03 1do9 n HIS 26 Ca -0.12 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.36 1do9 n HIS 26 Cb 0.41 0.10 0.11 0.00 1.12 0.00 0.00 29.99 31.73 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 -0.61 0.00 -4.02 4.41 1.44 -1.26 -4.64 115.22 110.54 1do9 n HIS 27 Ca 0.00 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.45 1do9 n HIS 27 Cb 0.00 -0.41 -0.04 0.00 0.12 0.00 0.00 29.99 29.66 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 -2.81 3.16 -0.05 -1.40 1.02 -1.23 -3.16 119.74 115.26 1do9 s LYS 28 Ca 0.03 -0.74 -0.03 0.00 0.02 0.00 0.00 55.97 55.26 1do9 s LYS 28 Cb 0.03 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 1do9 s LYS 28 CO 0.08 0.50 0.11 0.08 -0.92 0.00 0.00 175.35 175.20 1do9 s VAL 29 N -1.74 5.02 0.21 3.17 1.01 -0.26 -3.35 120.40 124.46 1do9 s VAL 29 Ca 0.33 -0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.23 1do9 s VAL 29 Cb -0.11 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1do9 s VAL 29 CO 0.26 0.46 -0.16 -0.31 0.00 0.00 0.00 175.10 175.35 1do9 s TYR 30 N -1.13 1.83 -0.25 5.22 1.51 -1.08 -1.94 117.35 121.52 1do9 s TYR 30 Ca 0.20 -0.51 -0.04 0.00 -1.01 0.00 0.00 57.07 55.71 1do9 s TYR 30 Cb -0.12 -0.85 0.08 0.00 -0.11 0.00 0.00 41.96 40.97 1do9 s TYR 30 CO 0.10 0.41 0.11 0.34 -1.11 0.00 0.00 175.55 175.40 1do9 s ASP 31 N -3.22 3.16 -0.20 2.29 -1.08 0.42 -2.12 116.67 115.92 1do9 s ASP 31 Ca 0.22 -1.07 0.16 0.00 -0.52 0.00 0.00 52.55 51.34 1do9 s ASP 31 Cb -0.02 -0.39 0.60 0.00 -1.46 0.00 0.00 42.92 41.65 1do9 s ASP 31 CO 0.08 -0.40 1.51 0.18 0.52 0.00 0.00 175.17 177.06 1do9 n LEU 32 N 5.20 4.39 -0.26 -1.34 4.77 -0.49 -4.72 117.00 124.55 1do9 n LEU 32 Ca -0.06 -3.03 -0.01 0.00 -0.03 0.00 0.00 56.01 52.88 1do9 n LEU 32 Cb 0.45 -0.59 0.11 0.00 -2.33 0.00 0.00 43.42 41.06 1do9 n LEU 32 CO 0.07 0.68 1.12 0.00 -1.33 0.00 0.00 177.39 177.94 1do9 h THR 33 N 2.30 0.98 -0.01 -5.08 1.03 -1.88 0.29 112.91 110.55 1do9 h THR 33 Ca 0.01 -0.26 0.00 0.00 -0.01 0.00 0.00 66.41 66.15 1do9 h THR 33 Cb 1.61 0.15 0.00 0.00 -1.07 0.00 0.00 68.15 68.83 1do9 h THR 33 CO 0.31 0.14 -0.09 1.17 -0.01 0.00 0.00 175.52 177.03 1do9 n LYS 34 N -4.74 1.11 0.00 0.00 0.00 -1.26 -3.42 118.16 109.84 1do9 n LYS 34 Ca 0.10 -0.53 0.07 0.00 0.00 0.00 0.00 58.31 57.95 1do9 n LYS 34 Cb 0.18 -1.49 -0.06 0.00 0.00 0.00 0.00 35.03 33.66 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 -0.49 0.00 0.02 5.64 7.35 -0.17 -4.58 117.46 125.23 1do9 n PHE 35 Ca 0.17 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.78 1do9 n PHE 35 Cb 0.30 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.08 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 0.36 -0.86 -1.87 -2.13 3.38 -0.54 0.13 115.31 113.79 1do9 h LEU 36 Ca 0.00 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1do9 h LEU 36 Cb 0.36 0.33 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1do9 h LEU 36 CO 0.00 -0.26 0.05 -0.62 0.09 0.00 0.00 178.44 177.70 1do9 n GLU 37 N -4.01 1.31 0.00 1.13 1.02 -1.26 -3.14 120.64 115.69 1do9 n GLU 37 Ca -0.04 -0.40 0.00 0.00 -0.02 0.00 0.00 57.16 56.71 1do9 n GLU 37 Cb 0.20 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 0.20 -0.01 -3.26 3.49 1.02 -0.20 -5.07 120.64 116.81 1do9 n GLU 38 Ca 0.06 -0.27 -0.39 0.00 -0.02 0.00 0.00 57.16 56.54 1do9 n GLU 38 Cb 0.53 -0.62 -0.06 0.00 -0.02 0.00 0.00 31.44 31.27 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 -0.06 3.46 -0.83 -0.32 2.46 0.29 -5.00 115.29 115.29 1do9 s HIS 39 Ca 0.00 0.87 -0.25 0.00 0.47 0.00 0.00 55.06 56.15 1do9 s HIS 39 Cb 0.00 -2.63 -0.02 0.00 -0.13 0.00 0.00 32.58 29.81 1do9 s HIS 39 CO 0.00 0.04 1.79 -1.25 -2.47 0.00 0.00 174.74 172.85 1do9 s PRO 40 N 1.08 2.79 0.00 2.88 0.04 -1.26 -3.87 135.00 136.67 1do9 s PRO 40 Ca 0.26 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.11 1do9 s PRO 40 Cb -0.15 -4.87 0.00 0.00 0.04 0.00 0.00 34.50 29.52 1do9 s PRO 40 CO 0.11 -2.92 0.00 0.41 0.04 0.00 0.00 177.00 174.63 1do9 n GLY 41 N 6.44 0.26 3.48 0.56 0.00 -1.26 -5.11 105.19 109.56 1do9 n GLY 41 Ca 0.31 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.01 -0.02 0.00 -1.25 -5.04 107.32 100.54 1do9 s GLY 42 Ca 0.00 1.40 0.08 0.00 0.00 0.00 0.00 44.72 46.19 1do9 s GLY 42 CO 0.00 1.12 0.81 1.05 0.00 0.00 0.00 173.10 176.07 1do9 h GLU 43 N 4.19 0.06 -0.41 2.90 9.09 -1.85 -3.40 114.58 125.16 1do9 h GLU 43 Ca -0.28 -0.10 -0.15 0.00 0.05 0.00 0.00 59.36 58.88 1do9 h GLU 43 Cb 1.16 0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 28.29 1do9 h GLU 43 CO 0.25 0.75 -0.35 1.49 0.05 0.00 0.00 179.01 181.20 1do9 h GLU 44 N 0.02 0.95 -0.84 1.06 4.57 -1.96 -0.39 114.58 117.99 1do9 h GLU 44 Ca -0.23 -0.48 0.24 0.00 -1.18 0.00 0.00 59.36 57.71 1do9 h GLU 44 Cb 1.96 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 30.52 1do9 h GLU 44 CO 0.10 1.14 0.67 -0.39 -1.18 0.00 0.00 179.01 179.35 1do9 h VAL 45 N 0.79 0.44 0.00 0.32 -1.51 -1.99 0.20 116.25 114.50 1do9 h VAL 45 Ca 0.07 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.44 1do9 h VAL 45 Cb 0.94 0.51 -0.01 0.00 -2.13 0.00 0.00 31.29 30.60 1do9 h VAL 45 CO 0.09 0.00 -0.54 -0.07 -1.23 0.00 0.00 177.57 175.82 1do9 h LEU 46 N 0.00 0.00 0.00 4.19 3.38 -1.27 -3.00 115.31 118.61 1do9 h LEU 46 Ca 0.40 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.23 1do9 h LEU 46 Cb 1.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 1do9 h LEU 46 CO -0.00 0.46 -1.04 -0.09 0.09 0.00 0.00 178.44 177.86 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 2.43 -0.60 -2.73 114.38 114.61 1do9 h ARG 47 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1do9 h ARG 47 Cb 1.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1do9 h ARG 47 CO 0.06 0.36 0.00 0.93 -1.51 0.00 0.00 179.97 179.81 1do9 h GLU 48 N 0.00 0.00 -0.06 0.20 4.39 -0.70 -2.43 114.58 115.98 1do9 h GLU 48 Ca -0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1do9 h GLU 48 Cb 1.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.13 1do9 h GLU 48 CO 0.05 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.94 1do9 n GLN 49 N -2.91 2.39 -1.68 2.33 1.13 -1.17 -4.99 117.38 112.47 1do9 n GLN 49 Ca 0.01 -1.46 -0.41 0.00 -1.94 0.00 0.00 57.00 53.20 1do9 n GLN 49 Cb 0.29 -1.06 0.01 0.00 0.11 0.00 0.00 30.24 29.60 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 -0.22 1.01 -1.75 -1.58 0.00 -0.92 -1.06 120.51 116.00 1do9 n ALA 50 Ca 0.02 0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.61 1do9 n ALA 50 Cb 0.25 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 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 0.90 0.46 3.41 0.00 0.00 -0.27 -4.89 105.19 104.80 1do9 n GLY 51 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.97 0.88 -1.18 -0.02 0.00 -0.22 -4.47 107.32 100.33 1do9 s GLY 52 Ca 0.00 -1.20 -0.20 0.00 0.00 0.00 0.00 44.72 43.32 1do9 s GLY 52 CO 0.00 -0.96 1.61 -0.35 0.00 0.00 0.00 173.10 173.41 1do9 s ASP 53 N -3.07 6.71 0.00 1.64 -1.08 -1.26 -0.95 116.67 118.66 1do9 s ASP 53 Ca 0.28 -2.05 0.23 0.00 -0.52 0.00 0.00 52.55 50.49 1do9 s ASP 53 Cb 0.03 -2.57 1.15 0.00 -1.46 0.00 0.00 42.92 40.06 1do9 s ASP 53 CO 0.09 -1.30 1.75 0.00 0.52 0.00 0.00 175.17 176.23 1do9 n ALA 54 N 8.54 2.17 -0.11 3.66 0.00 -0.37 -3.66 120.51 130.75 1do9 n ALA 54 Ca 0.42 -0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.85 1do9 n ALA 54 Cb 0.48 -1.37 0.44 0.00 0.00 0.00 0.00 19.45 19.00 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 0.00 0.96 -0.50 0.00 2.02 -1.86 0.06 112.91 113.58 1do9 h THR 55 Ca 0.00 -0.18 0.06 0.00 0.77 0.00 0.00 66.41 67.06 1do9 h THR 55 Cb 0.23 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 1do9 h THR 55 CO 0.00 0.10 0.20 1.05 0.37 0.00 0.00 175.52 177.24 1do9 h GLU 56 N 0.54 0.38 0.14 6.66 4.11 -1.93 -0.30 114.58 124.16 1do9 h GLU 56 Ca 0.28 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.68 1do9 h GLU 56 Cb 0.39 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1do9 h GLU 56 CO -0.08 0.25 -0.07 -0.91 0.07 0.00 0.00 179.01 178.27 1do9 h ASN 57 N 0.39 -0.15 -0.97 3.06 4.21 -1.31 -0.62 115.58 120.18 1do9 h ASN 57 Ca 0.24 -0.31 0.20 0.00 1.21 0.00 0.00 56.30 57.64 1do9 h ASN 57 Cb 0.23 0.04 -0.09 0.00 -1.12 0.00 0.00 38.32 37.39 1do9 h ASN 57 CO -0.23 0.25 0.61 0.15 -1.29 0.00 0.00 177.43 176.93 1do9 h PHE 58 N -0.59 0.84 0.04 1.19 3.04 -0.85 -1.51 116.94 119.09 1do9 h PHE 58 Ca -0.02 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 1do9 h PHE 58 Cb 0.46 -0.25 0.01 0.00 2.56 0.00 0.00 35.95 38.72 1do9 h PHE 58 CO 0.05 0.20 -0.39 0.93 -2.02 0.00 0.00 178.31 177.08 1do9 h GLU 59 N 0.61 0.20 -0.77 1.11 4.39 -0.99 -3.05 114.58 116.09 1do9 h GLU 59 Ca 0.54 -0.27 0.05 0.00 0.34 0.00 0.00 59.36 60.01 1do9 h GLU 59 Cb 1.03 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.72 1do9 h GLU 59 CO -0.29 1.04 0.48 0.22 -1.16 0.00 0.00 179.01 179.30 1do9 h ASP 60 N -0.51 0.76 -0.59 1.42 3.58 -0.62 0.89 116.42 121.37 1do9 h ASP 60 Ca -0.06 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.41 1do9 h ASP 60 Cb 1.21 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 42.08 1do9 h ASP 60 CO 0.08 0.51 0.38 0.58 -2.88 0.00 0.00 179.24 177.91 1do9 h VAL 61 N 0.90 1.14 -0.84 2.25 2.07 -1.41 -3.47 116.25 116.89 1do9 h VAL 61 Ca 0.32 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1do9 h VAL 61 Cb 0.09 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1do9 h VAL 61 CO -0.14 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1do9 n GLY 62 N -1.26 0.86 3.38 2.17 0.00 0.31 -4.98 105.19 105.68 1do9 n GLY 62 Ca 0.04 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.50 -0.98 -0.57 1.61 8.25 -1.20 -4.94 115.22 115.89 1do9 n HIS 63 Ca 0.00 0.75 -0.30 0.00 -0.26 0.00 0.00 57.72 57.91 1do9 n HIS 63 Cb 0.34 -1.92 0.22 0.00 1.12 0.00 0.00 29.99 29.75 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 1.94 -0.76 -0.06 0.41 7.64 -1.26 -4.80 113.62 116.73 1do9 n SER 64 Ca 0.14 0.11 -0.11 0.00 1.01 0.00 0.00 58.87 60.02 1do9 n SER 64 Cb 0.34 -1.36 -0.05 0.00 -1.01 0.00 0.00 64.21 62.12 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 -2.32 1.24 -0.09 0.44 2.02 -2.00 -2.06 112.91 110.14 1do9 h THR 65 Ca -0.53 -0.80 0.03 0.00 0.77 0.00 0.00 66.41 65.88 1do9 h THR 65 Cb 1.30 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1do9 h THR 65 CO 0.45 0.24 0.07 -0.78 0.37 0.00 0.00 175.52 175.87 1do9 h ASP 66 N 0.07 0.00 -0.51 4.18 1.82 -2.00 0.33 116.42 120.31 1do9 h ASP 66 Ca 0.05 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.58 1do9 h ASP 66 Cb 0.35 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.35 1do9 h ASP 66 CO 0.01 0.00 -0.11 0.00 -1.61 0.00 0.00 179.24 177.52 1do9 h ALA 67 N 1.95 0.69 0.00 -0.78 0.00 -1.75 -1.59 119.26 117.79 1do9 h ALA 67 Ca 0.04 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1do9 h ALA 67 Cb 0.18 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1do9 h ALA 67 CO -0.00 0.61 -0.01 0.00 0.00 0.00 0.00 179.25 179.85 1do9 h ARG 68 N 0.83 0.00 0.01 0.00 3.08 -0.33 -1.57 114.38 116.40 1do9 h ARG 68 Ca 0.13 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 1do9 h ARG 68 Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1do9 h ARG 68 CO 0.05 0.01 -0.52 0.93 -1.07 0.00 0.00 179.97 179.36 1do9 h GLU 69 N 0.00 0.01 -0.05 0.04 5.08 -0.96 -3.21 114.58 115.49 1do9 h GLU 69 Ca -0.00 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1do9 h GLU 69 Cb 0.12 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1do9 h GLU 69 CO 0.00 1.01 0.20 -0.07 -1.00 0.00 0.00 179.01 179.15 1do9 h LEU 70 N -0.97 0.00 -0.35 1.33 3.38 -1.28 0.93 115.31 118.36 1do9 h LEU 70 Ca -0.14 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.90 1do9 h LEU 70 Cb 1.15 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 1do9 h LEU 70 CO -0.07 0.00 -0.13 0.28 0.09 0.00 0.00 178.44 178.61 1do9 h SER 71 N 0.00 -0.44 0.00 -0.43 0.02 -1.29 -1.02 113.55 110.40 1do9 h SER 71 Ca 0.02 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1do9 h SER 71 Cb 0.42 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1do9 h SER 71 CO -0.00 -0.16 0.00 1.17 -1.14 0.00 0.00 176.83 176.70 1do9 n LYS 72 N -5.31 0.75 0.00 3.45 3.00 0.32 -1.95 118.16 118.41 1do9 n LYS 72 Ca 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.33 1do9 n LYS 72 Cb 0.23 -1.19 0.01 0.00 0.00 0.00 0.00 35.03 34.08 1do9 n LYS 72 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1do9 n THR 73 N -0.19 0.00 -1.28 3.15 5.66 -0.39 -4.66 114.28 116.58 1do9 n THR 73 Ca 0.00 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.56 1do9 n THR 73 Cb 0.09 1.04 0.08 0.00 -1.55 0.00 0.00 70.33 70.00 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 0.10 0.00 -3.34 1.09 3.72 -0.82 -5.03 117.46 113.18 1do9 n PHE 74 Ca 0.01 -0.60 -0.35 0.00 -0.05 0.00 0.00 57.45 56.46 1do9 n PHE 74 Cb 0.05 -0.10 -0.06 0.00 -0.94 0.00 0.00 39.48 38.43 1do9 n PHE 74 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1do9 s ILE 75 N -1.70 4.84 0.00 4.37 -0.00 -1.22 -0.43 121.20 127.05 1do9 s ILE 75 Ca 0.18 0.86 0.00 0.00 -0.00 0.00 0.00 60.65 61.69 1do9 s ILE 75 Cb 0.16 -3.74 0.00 0.00 -0.00 0.00 0.00 42.46 38.87 1do9 s ILE 75 CO 0.02 0.25 0.53 2.30 -0.00 0.00 0.00 174.94 178.04 1do9 n ILE 76 N 0.82 0.15 -1.90 8.37 -6.64 -0.82 -4.88 119.36 114.46 1do9 n ILE 76 Ca -0.05 -0.52 0.00 0.00 -1.77 0.00 0.00 62.75 60.40 1do9 n ILE 76 Cb 0.52 1.01 0.00 0.00 -1.44 0.00 0.00 39.64 39.73 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 -0.08 0.09 2.76 3.28 0.00 -1.24 -4.80 105.19 105.21 1do9 n GLY 77 Ca 0.00 -1.37 -0.17 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.00 -0.03 1.10 1.61 2.02 -0.48 -1.10 118.70 119.82 1do9 s GLU 78 Ca 0.00 0.30 -0.13 0.00 0.02 0.00 0.00 54.97 55.17 1do9 s GLU 78 Cb 0.00 -0.33 0.25 0.00 0.10 0.00 0.00 34.13 34.14 1do9 s GLU 78 CO 0.00 -0.24 1.05 -0.48 0.02 0.00 0.00 175.26 175.62 1do9 s LEU 79 N 1.56 1.14 -0.25 1.80 2.34 -1.19 -3.10 118.68 120.97 1do9 s LEU 79 Ca -0.03 1.43 -0.35 0.00 0.06 0.00 0.00 54.13 55.23 1do9 s LEU 79 Cb -0.12 -3.44 -0.11 0.00 -0.56 0.00 0.00 46.19 41.95 1do9 s LEU 79 CO -0.04 -3.82 2.05 1.41 -1.06 0.00 0.00 176.35 174.89 1do9 n HIS 80 N -4.66 1.91 -2.24 3.48 8.25 0.20 -4.73 115.22 117.44 1do9 n HIS 80 Ca 0.04 0.19 -0.39 0.00 -0.26 0.00 0.00 57.72 57.30 1do9 n HIS 80 Cb 0.55 -2.58 -0.02 0.00 1.12 0.00 0.00 29.99 29.06 1do9 n HIS 80 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1do9 n PRO 81 N 7.44 2.58 0.06 -0.41 -0.04 -1.26 -3.01 135.00 140.35 1do9 n PRO 81 Ca 0.33 -2.87 0.00 0.00 -0.04 0.00 0.00 63.50 60.91 1do9 n PRO 81 Cb 0.26 -3.50 0.00 0.00 -0.04 0.00 0.00 33.50 30.21 1do9 n PRO 81 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1do9 n ASP 82 N 9.81 -1.04 -1.30 3.54 -0.08 -1.26 -4.94 116.55 121.29 1do9 n ASP 82 Ca 0.48 0.25 -0.03 0.00 -1.51 0.00 0.00 54.79 53.99 1do9 n ASP 82 Cb 0.45 1.27 0.14 0.00 2.34 0.00 0.00 41.12 45.31 1do9 n ASP 82 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1do9 n ASP 83 N -2.69 3.20 -0.05 1.67 9.92 -1.17 -3.78 116.55 123.65 1do9 n ASP 83 Ca 0.00 -2.54 -0.01 0.00 -0.53 0.00 0.00 54.79 51.71 1do9 n ASP 83 Cb 0.00 -0.61 -0.16 0.00 -0.64 0.00 0.00 41.12 39.71 1do9 n ASP 83 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1do9 n ARG 84 N 0.06 0.67 -2.43 -1.24 0.00 -1.26 -4.71 116.66 107.76 1do9 n ARG 84 Ca 0.18 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.85 57.97 1do9 n ARG 84 Cb 0.82 -1.55 0.07 0.00 0.00 0.00 0.00 32.46 31.80 1do9 n ARG 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1do9 n SER 85 N -2.59 -0.34 -2.72 6.15 2.88 -1.25 -4.95 113.62 110.80 1do9 n SER 85 Ca -0.20 -2.12 -0.04 0.00 -1.33 0.00 0.00 58.87 55.18 1do9 n SER 85 Cb 0.92 0.23 0.09 0.00 -0.75 0.00 0.00 64.21 64.70 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 -0.94 1.38 -0.11 -1.46 3.00 -1.25 -4.96 118.16 113.82 1do9 n LYS 86 Ca -0.10 -2.24 -0.19 0.00 -0.00 0.00 0.00 58.31 55.77 1do9 n LYS 86 Cb 0.85 -0.45 -0.09 0.00 0.00 0.00 0.00 35.03 35.34 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 -0.87 2.37 -4.67 3.14 4.77 -1.26 -4.91 117.00 115.56 1do9 n LEU 87 Ca -0.04 0.06 -0.50 0.00 -0.03 0.00 0.00 56.01 55.50 1do9 n LEU 87 Cb 0.84 -0.72 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1do9 n LEU 87 CO -0.02 0.69 1.30 -0.24 -1.33 0.00 0.00 177.39 177.79 1do9 n SER 88 N -3.54 2.86 -4.13 -1.43 2.88 -1.26 -4.97 113.62 104.03 1do9 n SER 88 Ca -0.41 1.04 -0.09 0.00 -1.33 0.00 0.00 58.87 58.08 1do9 n SER 88 Cb 0.87 -1.31 -0.10 0.00 -0.75 0.00 0.00 64.21 62.92 1do9 n SER 88 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1do9 s LYS 89 N 2.67 0.75 1.04 -1.46 1.02 -1.26 -5.16 119.74 117.32 1do9 s LYS 89 Ca 0.89 -1.30 -0.14 0.00 0.02 0.00 0.00 55.97 55.44 1do9 s LYS 89 Cb -0.81 0.07 0.21 0.00 -0.52 0.00 0.00 37.83 36.78 1do9 s LYS 89 CO 0.51 -0.11 1.12 -1.25 -0.92 0.00 0.00 175.35 174.70 1do9 s PRO 90 N -3.92 0.12 0.48 -1.68 0.04 -1.26 -5.08 135.00 123.70 1do9 s PRO 90 Ca 0.12 0.22 0.08 0.00 0.04 0.00 0.00 61.00 61.46 1do9 s PRO 90 Cb 0.07 -1.73 0.03 0.00 0.04 0.00 0.00 34.50 32.92 1do9 s PRO 90 CO -0.06 -2.87 0.62 -1.64 0.04 0.00 0.00 177.00 173.09 1do9 s MET 91 N -5.23 2.59 0.47 4.56 -1.94 -1.26 -5.15 119.30 113.34 1do9 s MET 91 Ca 0.67 -1.44 0.01 0.00 -1.71 0.00 0.00 55.69 53.22 1do9 s MET 91 Cb -0.14 -2.65 -0.00 0.00 2.01 0.00 0.00 34.83 34.04 1do9 s MET 91 CO 0.56 -0.48 0.04 -0.85 -0.01 0.00 0.00 175.02 174.27 1do9 n GLU 92 N -1.95 0.76 -0.01 2.03 0.28 -1.26 -5.10 120.64 115.39 1do9 n GLU 92 Ca 0.10 -3.52 -0.10 0.00 -0.16 0.00 0.00 57.16 53.48 1do9 n GLU 92 Cb 0.60 1.17 -0.08 0.00 1.43 0.00 0.00 31.44 34.57 1do9 n GLU 92 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 1do9 h THR 93 N 1.35 1.01 -0.03 3.84 2.02 -2.09 -3.58 112.91 115.44 1do9 h THR 93 Ca -0.38 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.29 1do9 h THR 93 Cb 1.22 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.44 1do9 h THR 93 CO 0.63 0.31 0.00 -0.11 0.37 0.00 0.00 175.52 176.72