#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2io0 s HIS 17 N 0.00 3.49 -0.05 1.24 3.76 -1.26 -3.08 115.29 119.38 2io0 s HIS 17 Ca 0.00 0.21 -0.11 0.00 -0.15 0.00 0.00 55.06 55.02 2io0 s HIS 17 Cb 0.00 -1.74 0.02 0.00 1.11 0.00 0.00 32.58 31.97 2io0 s HIS 17 CO 0.00 0.48 0.25 -1.50 -0.85 0.00 0.00 174.74 173.12 2io0 s ILE 18 N -1.76 0.04 -0.09 0.60 2.07 -0.34 -4.95 121.20 116.77 2io0 s ILE 18 Ca 0.36 -0.30 -0.01 0.00 -1.41 0.00 0.00 60.65 59.29 2io0 s ILE 18 Cb -0.11 -0.47 -0.03 0.00 0.13 0.00 0.00 42.46 41.98 2io0 s ILE 18 CO 0.29 -0.17 -0.03 0.20 -1.91 0.00 0.00 174.94 173.32 2io0 s ASN 19 N -0.66 4.98 0.01 4.50 0.01 -1.26 -1.79 114.94 120.73 2io0 s ASN 19 Ca -0.08 0.05 0.03 0.00 -0.71 0.00 0.00 52.86 52.16 2io0 s ASN 19 Cb -0.04 -1.41 -0.01 0.00 0.41 0.00 0.00 41.25 40.20 2io0 s ASN 19 CO 0.02 0.35 -0.11 -0.76 -1.51 0.00 0.00 177.10 175.09 2io0 s LEU 20 N -0.69 2.08 -0.14 0.60 1.43 -0.61 0.29 118.68 121.64 2io0 s LEU 20 Ca 0.11 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 2io0 s LEU 20 Cb -0.12 -0.50 -0.03 0.00 0.03 0.00 0.00 46.19 45.58 2io0 s LEU 20 CO 0.02 0.07 -0.05 -0.54 0.23 0.00 0.00 176.35 176.08 2io0 s LYS 21 N -0.58 3.50 -0.44 1.70 1.02 -0.44 -0.06 119.74 124.43 2io0 s LYS 21 Ca 0.02 -0.54 -0.09 0.00 0.02 0.00 0.00 55.97 55.38 2io0 s LYS 21 Cb -0.05 -2.83 0.10 0.00 -0.52 0.00 0.00 37.83 34.52 2io0 s LYS 21 CO 0.00 0.31 0.29 0.08 -0.92 0.00 0.00 175.35 175.11 2io0 s VAL 22 N 0.17 4.14 -0.14 3.17 1.01 -0.18 0.27 120.40 128.84 2io0 s VAL 22 Ca -0.03 -1.63 -0.24 0.00 0.00 0.00 0.00 61.98 60.09 2io0 s VAL 22 Cb -0.14 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 2io0 s VAL 22 CO 0.03 -0.64 0.75 0.00 0.00 0.00 0.00 175.10 175.24 2io0 s ALA 23 N 1.37 3.46 0.65 5.51 0.00 -0.02 -2.50 121.76 130.23 2io0 s ALA 23 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 51.96 51.94 2io0 s ALA 23 Cb -0.24 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 19.82 2io0 s ALA 23 CO 0.00 -0.46 0.96 0.20 0.00 0.00 0.00 175.76 176.46 2io0 s GLY 24 N 1.06 1.65 0.00 0.00 0.00 0.12 -1.80 107.32 108.35 2io0 s GLY 24 Ca 0.36 -0.79 0.20 0.00 0.00 0.00 0.00 44.72 44.49 2io0 s GLY 24 CO 0.14 -0.45 1.65 -1.06 0.00 0.00 0.00 173.10 173.37 2io0 n GLN 25 N -2.75 0.16 -1.13 2.90 6.02 -1.23 -3.10 117.38 118.26 2io0 n GLN 25 Ca 0.06 0.12 -0.18 0.00 -0.01 0.00 0.00 57.00 57.00 2io0 n GLN 25 Cb 0.59 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.55 2io0 n GLN 25 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2io0 n ASP 26 N -1.38 3.74 0.00 1.08 5.75 -1.26 -4.90 116.55 119.57 2io0 n ASP 26 Ca 0.07 -3.57 0.00 0.00 -0.01 0.00 0.00 54.79 51.29 2io0 n ASP 26 Cb 0.20 -0.79 0.00 0.00 -1.03 0.00 0.00 41.12 39.50 2io0 n ASP 26 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2io0 n GLY 27 N -0.98 1.73 3.77 6.12 0.00 -1.18 -4.98 105.19 109.67 2io0 n GLY 27 Ca 0.52 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.15 2io0 n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2io0 s SER 28 N -3.18 6.49 -0.02 1.61 1.04 -1.26 -4.81 113.70 113.57 2io0 s SER 28 Ca 0.00 2.48 0.03 0.00 0.48 0.00 0.00 55.95 58.94 2io0 s SER 28 Cb 0.00 -2.63 -0.00 0.00 0.10 0.00 0.00 66.02 63.49 2io0 s SER 28 CO 0.00 -0.71 -0.10 -0.69 0.98 0.00 0.00 173.24 172.72 2io0 s VAL 29 N -1.32 0.86 -0.05 5.02 1.01 -1.26 0.13 120.40 124.78 2io0 s VAL 29 Ca 0.56 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2io0 s VAL 29 Cb -0.34 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.31 2io0 s VAL 29 CO 0.44 0.26 -0.03 -0.69 0.00 0.00 0.00 175.10 175.07 2io0 s VAL 30 N 0.02 0.50 0.37 2.92 1.01 -1.04 -4.94 120.40 119.23 2io0 s VAL 30 Ca -0.01 -0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 2io0 s VAL 30 Cb -0.07 -0.56 -0.06 0.00 0.00 0.00 0.00 36.38 35.68 2io0 s VAL 30 CO 0.00 0.24 0.71 -1.10 0.00 0.00 0.00 175.10 174.95 2io0 s GLN 31 N 1.25 3.76 0.06 2.72 -1.52 -1.26 -1.01 119.66 123.65 2io0 s GLN 31 Ca -0.06 0.37 -0.03 0.00 -1.95 0.00 0.00 55.36 53.69 2io0 s GLN 31 Cb -0.14 -2.46 -0.03 0.00 -0.22 0.00 0.00 33.01 30.16 2io0 s GLN 31 CO -0.02 0.05 0.02 -0.06 -0.25 0.00 0.00 175.29 175.02 2io0 s PHE 32 N -2.26 0.44 -0.06 0.91 0.40 0.91 -4.96 117.98 113.37 2io0 s PHE 32 Ca 0.50 -0.97 -0.00 0.00 -0.60 0.00 0.00 56.93 55.85 2io0 s PHE 32 Cb -0.10 -0.32 0.03 0.00 0.51 0.00 0.00 43.02 43.13 2io0 s PHE 32 CO 0.30 -0.41 -0.02 0.21 0.70 0.00 0.00 175.22 176.00 2io0 s LYS 33 N -3.91 0.70 0.21 0.44 2.20 -1.26 -1.57 119.74 116.55 2io0 s LYS 33 Ca 0.07 0.02 -0.11 0.00 -0.36 0.00 0.00 55.97 55.59 2io0 s LYS 33 Cb 0.07 -0.93 -0.00 0.00 -1.51 0.00 0.00 37.83 35.45 2io0 s LYS 33 CO -0.10 -0.23 0.40 0.96 -0.36 0.00 0.00 175.35 176.02 2io0 s ILE 34 N 1.59 0.02 0.10 5.43 -4.36 -0.74 -4.96 121.20 118.28 2io0 s ILE 34 Ca -0.01 -1.37 -0.25 0.00 -0.26 0.00 0.00 60.65 58.77 2io0 s ILE 34 Cb -0.13 -2.04 -0.07 0.00 1.25 0.00 0.00 42.46 41.48 2io0 s ILE 34 CO -0.04 -0.10 0.75 -0.54 0.24 0.00 0.00 174.94 175.25 2io0 s LYS 35 N -3.99 4.51 0.30 0.37 3.01 -1.26 -1.19 119.74 121.48 2io0 s LYS 35 Ca 0.20 1.08 0.08 0.00 -1.01 0.00 0.00 55.97 56.33 2io0 s LYS 35 Cb 0.01 -3.31 0.43 0.00 -1.01 0.00 0.00 37.83 33.95 2io0 s LYS 35 CO 0.05 0.45 1.07 0.54 0.51 0.00 0.00 175.35 177.97 2io0 n ARG 36 N 2.14 0.06 -0.18 1.68 1.74 -1.18 -0.12 116.66 120.81 2io0 n ARG 36 Ca -0.05 0.51 0.07 0.00 -0.77 0.00 0.00 57.85 57.61 2io0 n ARG 36 Cb 0.49 -2.14 0.15 0.00 -1.02 0.00 0.00 32.46 29.94 2io0 n ARG 36 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2io0 n HIS 37 N -1.89 0.34 -3.13 -1.55 8.25 -1.26 -1.18 115.22 114.80 2io0 n HIS 37 Ca -0.01 -0.78 -0.39 0.00 -0.26 0.00 0.00 57.72 56.28 2io0 n HIS 37 Cb 0.46 -0.16 -0.05 0.00 1.12 0.00 0.00 29.99 31.37 2io0 n HIS 37 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2io0 s THR 38 N -2.18 5.08 0.19 1.59 2.01 0.83 -4.96 115.64 118.19 2io0 s THR 38 Ca 0.27 1.28 -0.33 0.00 0.31 0.00 0.00 61.69 63.22 2io0 s THR 38 Cb 0.21 -3.97 -0.14 0.00 0.01 0.00 0.00 72.50 68.62 2io0 s THR 38 CO 0.06 0.25 1.53 -0.81 -0.69 0.00 0.00 174.62 174.96 2io0 n PRO 39 N 3.93 2.14 0.04 4.92 -0.04 -1.26 -4.22 135.00 140.51 2io0 n PRO 39 Ca -0.03 0.77 0.04 0.00 -0.04 0.00 0.00 63.50 64.24 2io0 n PRO 39 Cb 0.51 -2.51 0.21 0.00 -0.04 0.00 0.00 33.50 31.67 2io0 n PRO 39 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2io0 n LEU 40 N 3.01 0.15 -0.21 1.53 4.77 0.12 -2.26 117.00 124.10 2io0 n LEU 40 Ca 0.15 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.81 2io0 n LEU 40 Cb 0.30 -0.57 0.42 0.00 -2.33 0.00 0.00 43.42 41.25 2io0 n LEU 40 CO 0.63 -0.54 1.21 0.77 -1.33 0.00 0.00 177.39 178.14 2io0 h SER 41 N 0.00 0.55 -0.32 -1.43 4.64 -1.60 0.01 113.55 115.40 2io0 h SER 41 Ca 0.00 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 2io0 h SER 41 Cb 0.08 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2io0 h SER 41 CO 0.00 0.30 0.12 0.11 -0.87 0.00 0.00 176.83 176.48 2io0 h LYS 42 N 0.59 0.49 -0.92 4.77 1.57 -1.75 0.04 116.57 121.36 2io0 h LYS 42 Ca 0.39 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 59.09 2io0 h LYS 42 Cb 0.68 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 2io0 h LYS 42 CO -0.15 0.51 0.60 1.25 -0.57 0.00 0.00 179.45 181.09 2io0 h LEU 43 N 0.37 1.04 -0.01 2.94 6.46 -1.28 -0.17 115.31 124.65 2io0 h LEU 43 Ca 0.11 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.84 2io0 h LEU 43 Cb 0.21 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 39.89 2io0 h LEU 43 CO -0.01 0.74 -0.01 0.24 -0.62 0.00 0.00 178.44 178.79 2io0 h MET 44 N 1.22 0.03 -0.11 1.25 2.86 -0.58 -1.01 114.93 118.58 2io0 h MET 44 Ca 0.34 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.92 2io0 h MET 44 Cb -0.11 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 2io0 h MET 44 CO -0.08 0.46 -0.16 0.87 1.06 0.00 0.00 176.91 179.06 2io0 h LYS 45 N -0.41 0.17 0.84 1.72 1.57 -0.94 -1.35 116.57 118.18 2io0 h LYS 45 Ca 0.00 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2io0 h LYS 45 Cb 0.45 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.74 2io0 h LYS 45 CO 0.00 0.34 -0.41 0.00 -0.57 0.00 0.00 179.45 178.80 2io0 h ALA 46 N 1.68 -1.30 -0.40 3.86 0.00 -0.71 -0.85 119.26 121.55 2io0 h ALA 46 Ca 0.03 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.77 2io0 h ALA 46 Cb 0.38 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.55 2io0 h ALA 46 CO 0.02 -1.22 -0.13 -0.92 0.00 0.00 0.00 179.25 177.00 2io0 h TYR 47 N -1.14 -0.29 -0.84 0.00 3.20 -1.07 -1.20 116.97 115.63 2io0 h TYR 47 Ca -0.12 0.04 0.16 0.00 3.14 0.00 0.00 58.73 61.95 2io0 h TYR 47 Cb 0.88 0.19 -0.10 0.00 1.54 0.00 0.00 36.73 39.24 2io0 h TYR 47 CO 0.03 -0.20 0.40 0.00 -1.64 0.00 0.00 178.16 176.74 2io0 h GLU 49 N 0.54 -0.29 -0.97 0.00 4.39 -0.02 0.75 114.58 118.98 2io0 h GLU 49 Ca 0.47 0.02 0.28 0.00 0.34 0.00 0.00 59.36 60.47 2io0 h GLU 49 Cb 0.72 0.07 -0.18 0.00 -0.10 0.00 0.00 28.75 29.26 2io0 h GLU 49 CO -0.40 -0.19 0.10 -0.09 -1.16 0.00 0.00 179.01 177.26 2io0 h ARG 50 N -0.38 0.03 -0.01 2.33 2.43 -0.98 0.75 114.38 118.54 2io0 h ARG 50 Ca -0.03 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2io0 h ARG 50 Cb 0.23 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2io0 h ARG 50 CO 0.05 0.02 -0.16 1.04 -1.51 0.00 0.00 179.97 179.41 2io0 n GLN 51 N -5.44 1.27 -3.28 0.20 1.13 -0.45 -5.00 117.38 105.80 2io0 n GLN 51 Ca 0.24 -0.80 -0.08 0.00 -1.94 0.00 0.00 57.00 54.42 2io0 n GLN 51 Cb 0.80 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.67 2io0 n GLN 51 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2io0 n GLY 52 N 1.29 -1.25 3.53 1.08 0.00 0.26 -5.05 105.19 105.06 2io0 n GLY 52 Ca 0.15 0.55 -0.25 0.00 0.00 0.00 0.00 46.02 46.46 2io0 n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2io0 s LEU 53 N -4.23 2.27 -0.12 0.99 1.43 -0.62 -5.04 118.68 113.36 2io0 s LEU 53 Ca 0.01 -1.47 -0.09 0.00 -1.03 0.00 0.00 54.13 51.55 2io0 s LEU 53 Cb -0.00 -0.46 -0.04 0.00 0.03 0.00 0.00 46.19 45.72 2io0 s LEU 53 CO 0.80 -0.68 0.18 -0.55 0.23 0.00 0.00 176.35 176.33 2io0 s SER 54 N -3.60 6.41 0.26 2.29 0.15 -1.26 -4.83 113.70 113.13 2io0 s SER 54 Ca 0.30 0.49 -0.03 0.00 0.70 0.00 0.00 55.95 57.41 2io0 s SER 54 Cb 0.07 -2.10 0.33 0.00 -1.71 0.00 0.00 66.02 62.61 2io0 s SER 54 CO 0.14 0.34 1.80 0.24 1.20 0.00 0.00 173.24 176.96 2io0 h MET 55 N 5.36 0.89 -0.45 5.44 2.86 -1.96 -1.41 114.93 125.66 2io0 h MET 55 Ca -0.51 -0.19 0.08 0.00 -2.06 0.00 0.00 59.70 57.02 2io0 h MET 55 Cb 1.21 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 2io0 h MET 55 CO 0.63 0.81 0.31 0.00 1.06 0.00 0.00 176.91 179.71 2io0 h ARG 56 N 0.85 0.23 -0.01 1.72 3.08 -2.04 -1.92 114.38 116.30 2io0 h ARG 56 Ca 0.18 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2io0 h ARG 56 Cb 0.33 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2io0 h ARG 56 CO 0.00 0.15 -0.08 1.04 -1.07 0.00 0.00 179.97 180.01 2io0 n GLN 57 N -4.46 1.17 -4.22 0.04 6.02 -0.54 -4.88 117.38 110.50 2io0 n GLN 57 Ca 0.07 -0.57 -0.14 0.00 -0.01 0.00 0.00 57.00 56.35 2io0 n GLN 57 Cb 0.34 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 30.01 2io0 n GLN 57 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2io0 s ILE 58 N -2.22 1.05 -0.06 5.09 -4.36 -0.72 -0.62 121.20 119.35 2io0 s ILE 58 Ca 0.34 -1.94 0.02 0.00 -0.26 0.00 0.00 60.65 58.81 2io0 s ILE 58 Cb 0.20 -1.70 0.01 0.00 1.25 0.00 0.00 42.46 42.22 2io0 s ILE 58 CO 0.41 -0.71 -0.11 -0.13 0.24 0.00 0.00 174.94 174.64 2io0 s ARG 59 N -3.51 1.57 -0.11 0.37 1.81 0.20 -4.92 118.95 114.35 2io0 s ARG 59 Ca 0.13 -0.37 -0.10 0.00 -1.72 0.00 0.00 55.73 53.67 2io0 s ARG 59 Cb 0.01 -1.32 -0.05 0.00 -0.45 0.00 0.00 34.95 33.15 2io0 s ARG 59 CO -0.00 0.01 0.23 -0.06 -0.68 0.00 0.00 175.30 174.80 2io0 s PHE 60 N 0.70 3.58 -0.00 -0.53 0.40 -1.26 -0.68 117.98 120.18 2io0 s PHE 60 Ca -0.14 0.62 0.01 0.00 -0.60 0.00 0.00 56.93 56.81 2io0 s PHE 60 Cb -0.16 -2.12 -0.00 0.00 0.51 0.00 0.00 43.02 41.25 2io0 s PHE 60 CO 0.03 0.56 -0.02 1.03 0.70 0.00 0.00 175.22 177.52 2io0 s ARG 61 N -0.57 0.18 -0.23 0.44 3.00 -0.04 -2.95 118.95 118.79 2io0 s ARG 61 Ca 0.16 -0.09 0.02 0.00 0.00 0.00 0.00 55.73 55.82 2io0 s ARG 61 Cb -0.13 -0.17 0.04 0.00 0.00 0.00 0.00 34.95 34.69 2io0 s ARG 61 CO 0.05 0.05 -0.14 0.12 0.00 0.00 0.00 175.30 175.37 2io0 s PHE 62 N -0.09 3.05 -1.37 -0.53 5.36 -0.56 -1.38 117.98 122.47 2io0 s PHE 62 Ca 0.00 -2.00 -0.01 0.00 -0.96 0.00 0.00 56.93 53.97 2io0 s PHE 62 Cb -0.01 -1.93 -0.00 0.00 -0.34 0.00 0.00 43.02 40.74 2io0 s PHE 62 CO -0.00 -0.84 0.50 -0.25 -1.46 0.00 0.00 175.22 173.17 2io0 n ASP 63 N 4.52 -0.70 0.00 6.13 8.00 -1.26 -1.88 116.55 131.37 2io0 n ASP 63 Ca -0.17 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.37 2io0 n ASP 63 Cb 0.46 -3.32 0.00 0.00 -0.02 0.00 0.00 41.12 38.24 2io0 n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2io0 n GLY 64 N -1.87 2.76 3.78 0.44 0.00 -1.26 -5.03 105.19 104.01 2io0 n GLY 64 Ca -0.30 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 2io0 n GLY 64 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2io0 s GLN 65 N -0.06 4.24 0.90 1.61 -1.52 -0.79 -4.97 119.66 119.08 2io0 s GLN 65 Ca 0.00 0.63 -0.12 0.00 -1.95 0.00 0.00 55.36 53.92 2io0 s GLN 65 Cb 0.00 -3.32 0.09 0.00 -0.22 0.00 0.00 33.01 29.56 2io0 s GLN 65 CO 0.00 0.43 0.87 -0.35 -0.25 0.00 0.00 175.29 175.99 2io0 n PRO 66 N 2.58 -0.27 -4.25 2.91 -0.04 -1.26 -1.50 135.00 133.18 2io0 n PRO 66 Ca -0.09 -0.02 -0.33 0.00 -0.04 0.00 0.00 63.50 63.03 2io0 n PRO 66 Cb 0.51 -2.18 -0.16 0.00 -0.04 0.00 0.00 33.50 31.63 2io0 n PRO 66 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2io0 s ILE 67 N -2.44 2.19 0.19 0.52 1.01 -1.15 -4.73 121.20 116.80 2io0 s ILE 67 Ca 0.64 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 60.28 2io0 s ILE 67 Cb -0.24 -1.92 -0.07 0.00 0.01 0.00 0.00 42.46 40.25 2io0 s ILE 67 CO 0.60 0.53 0.53 0.20 0.00 0.00 0.00 174.94 176.80 2io0 s ASN 68 N 1.18 6.66 0.49 3.58 0.01 -1.26 -4.89 114.94 120.70 2io0 s ASN 68 Ca 0.02 0.92 0.30 0.00 -0.71 0.00 0.00 52.86 53.40 2io0 s ASN 68 Cb -0.14 -2.23 1.40 0.00 0.41 0.00 0.00 41.25 40.69 2io0 s ASN 68 CO -0.09 -0.01 1.78 -0.33 -1.51 0.00 0.00 177.10 176.94 2io0 h GLU 69 N 2.88 0.13 0.00 -0.60 5.08 -1.98 0.26 114.58 120.35 2io0 h GLU 69 Ca -0.47 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2io0 h GLU 69 Cb 1.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.40 2io0 h GLU 69 CO 0.68 0.09 -0.28 0.25 -1.00 0.00 0.00 179.01 178.75 2io0 n THR 70 N -4.36 0.45 -1.49 1.13 -2.24 -1.26 -1.82 114.28 104.70 2io0 n THR 70 Ca 0.26 -0.26 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 2io0 n THR 70 Cb 1.15 -0.36 0.08 0.00 -2.10 0.00 0.00 70.33 69.10 2io0 n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2io0 n ASP 71 N -2.15 1.24 -4.27 3.42 8.00 0.90 -4.64 116.55 119.05 2io0 n ASP 71 Ca 0.05 0.73 -0.28 0.00 0.71 0.00 0.00 54.79 56.00 2io0 n ASP 71 Cb 0.43 -1.48 -0.15 0.00 -0.02 0.00 0.00 41.12 39.90 2io0 n ASP 71 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2io0 s THR 72 N -1.67 1.82 0.63 -3.53 2.01 -1.26 0.12 115.64 113.76 2io0 s THR 72 Ca 0.78 -1.18 0.32 0.00 0.31 0.00 0.00 61.69 61.92 2io0 s THR 72 Cb -0.36 -1.55 0.36 0.00 0.01 0.00 0.00 72.50 70.96 2io0 s THR 72 CO 0.46 0.33 2.10 -0.65 -0.69 0.00 0.00 174.62 176.17 2io0 h PRO 73 N 5.06 0.00 -0.01 4.92 0.11 -1.73 -1.01 132.00 139.34 2io0 h PRO 73 Ca -0.43 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 2io0 h PRO 73 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2io0 h PRO 73 CO 0.45 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.18 2io0 h ALA 74 N 1.68 0.01 0.29 -0.75 0.00 -1.45 0.54 119.26 119.58 2io0 h ALA 74 Ca 0.05 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2io0 h ALA 74 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2io0 h ALA 74 CO -0.00 -0.09 -0.23 1.96 0.00 0.00 0.00 179.25 180.89 2io0 h GLN 75 N -0.65 -0.51 0.00 0.00 4.20 -1.56 -0.36 115.11 116.22 2io0 h GLN 75 Ca -0.01 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2io0 h GLN 75 Cb 0.78 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.67 2io0 h GLN 75 CO 0.01 -0.34 0.00 1.28 -0.67 0.00 0.00 178.83 179.11 2io0 n LEU 76 N -5.36 0.00 -3.30 1.46 4.77 -0.48 -4.83 117.00 109.26 2io0 n LEU 76 Ca -0.09 0.39 -0.21 0.00 -0.03 0.00 0.00 56.01 56.08 2io0 n LEU 76 Cb 0.27 -0.39 0.07 0.00 -2.33 0.00 0.00 43.42 41.04 2io0 n LEU 76 CO 0.31 -0.29 0.20 -0.62 -1.33 0.00 0.00 177.39 175.66 2io0 n GLU 77 N -1.39 -7.04 -2.11 3.23 1.02 -0.15 -4.98 120.64 109.22 2io0 n GLU 77 Ca 0.03 0.76 -0.29 0.00 -0.02 0.00 0.00 57.16 57.64 2io0 n GLU 77 Cb 0.08 -5.59 0.02 0.00 -0.02 0.00 0.00 31.44 25.93 2io0 n GLU 77 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2io0 s MET 78 N -6.00 3.21 0.08 3.49 -1.94 0.18 -5.01 119.30 113.31 2io0 s MET 78 Ca 0.43 0.41 0.00 0.00 -1.71 0.00 0.00 55.69 54.82 2io0 s MET 78 Cb -0.19 -2.15 -0.04 0.00 2.01 0.00 0.00 34.83 34.46 2io0 s MET 78 CO 0.67 -0.69 -0.04 -1.21 -0.01 0.00 0.00 175.02 173.74 2io0 s GLU 79 N -5.13 0.75 -0.02 2.03 2.02 -1.26 -4.78 118.70 112.31 2io0 s GLU 79 Ca 0.55 -1.30 -0.39 0.00 0.02 0.00 0.00 54.97 53.84 2io0 s GLU 79 Cb -0.11 -0.02 -0.19 0.00 0.10 0.00 0.00 34.13 33.92 2io0 s GLU 79 CO 0.50 -0.07 1.25 -3.47 0.02 0.00 0.00 175.26 173.49 2io0 n ASP 80 N 0.01 0.83 -0.46 -0.19 2.03 -1.26 -0.81 116.55 116.69 2io0 n ASP 80 Ca -0.12 1.14 -0.06 0.00 0.52 0.00 0.00 54.79 56.27 2io0 n ASP 80 Cb 0.61 -1.03 -0.03 0.00 -0.72 0.00 0.00 41.12 39.96 2io0 n ASP 80 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2io0 n GLU 81 N 2.29 -0.80 -2.23 -0.67 4.71 0.84 -4.91 120.64 119.88 2io0 n GLU 81 Ca 0.21 0.61 -0.34 0.00 -0.01 0.00 0.00 57.16 57.63 2io0 n GLU 81 Cb 0.11 -4.45 -0.00 0.00 -1.01 0.00 0.00 31.44 26.09 2io0 n GLU 81 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2io0 s ASP 82 N -2.54 5.87 -0.13 1.62 1.11 0.01 -4.69 116.67 117.92 2io0 s ASP 82 Ca 0.00 1.97 -0.04 0.00 0.18 0.00 0.00 52.55 54.65 2io0 s ASP 82 Cb 0.00 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.40 2io0 s ASP 82 CO 0.00 -1.11 0.03 -0.89 1.18 0.00 0.00 175.17 174.38 2io0 s THR 83 N -2.11 4.50 -0.12 -1.27 2.01 -1.26 -1.33 115.64 116.06 2io0 s THR 83 Ca 0.67 -0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.50 2io0 s THR 83 Cb -0.19 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 2io0 s THR 83 CO 0.29 0.55 -0.07 -0.63 -0.69 0.00 0.00 174.62 174.08 2io0 s ILE 84 N -0.38 3.67 0.04 1.82 1.01 0.14 -4.63 121.20 122.88 2io0 s ILE 84 Ca 0.08 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 2io0 s ILE 84 Cb -0.12 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.75 2io0 s ILE 84 CO 0.02 0.54 0.22 -1.81 0.00 0.00 0.00 174.94 173.91 2io0 s ASP 85 N -0.11 6.38 -0.06 3.58 1.01 -0.48 -0.84 116.67 126.15 2io0 s ASP 85 Ca 0.01 0.35 0.02 0.00 0.71 0.00 0.00 52.55 53.64 2io0 s ASP 85 Cb -0.13 -2.00 0.02 0.00 1.01 0.00 0.00 42.92 41.82 2io0 s ASP 85 CO 0.03 0.20 -0.10 -0.69 0.21 0.00 0.00 175.17 174.82 2io0 s VAL 86 N -1.43 1.01 0.21 -1.27 1.01 -0.74 -0.86 120.40 118.32 2io0 s VAL 86 Ca 0.32 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 61.99 2io0 s VAL 86 Cb -0.13 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 2io0 s VAL 86 CO 0.23 0.33 -0.17 -0.36 0.00 0.00 0.00 175.10 175.14 2io0 s PHE 87 N 0.80 1.86 0.34 5.22 0.40 0.14 -3.48 117.98 123.26 2io0 s PHE 87 Ca -0.12 -0.49 -0.16 0.00 -0.60 0.00 0.00 56.93 55.55 2io0 s PHE 87 Cb -0.15 -0.87 -0.09 0.00 0.51 0.00 0.00 43.02 42.42 2io0 s PHE 87 CO 0.02 0.42 0.77 -0.65 0.70 0.00 0.00 175.22 176.48 2io0 s GLN 88 N -3.36 4.05 0.45 0.44 -0.21 -1.26 -0.63 119.66 119.14 2io0 s GLN 88 Ca 0.22 0.75 -0.24 0.00 0.02 0.00 0.00 55.36 56.10 2io0 s GLN 88 Cb -0.03 -2.41 -0.09 0.00 1.00 0.00 0.00 33.01 31.48 2io0 s GLN 88 CO 0.08 0.14 1.19 0.00 -2.12 0.00 0.00 175.29 174.58 2io0 n GLN 89 N -0.37 1.67 -3.69 2.91 10.64 0.21 -4.84 117.38 123.91 2io0 n GLN 89 Ca 0.04 0.60 -0.39 0.00 -1.83 0.00 0.00 57.00 55.42 2io0 n GLN 89 Cb 0.53 -2.30 -0.11 0.00 -0.86 0.00 0.00 30.24 27.50 2io0 n GLN 89 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 2io0 s GLN 90 N -2.29 2.58 0.00 2.61 -0.21 -1.26 -4.98 119.66 116.12 2io0 s GLN 90 Ca 0.64 -1.32 0.00 0.00 0.02 0.00 0.00 55.36 54.70 2io0 s GLN 90 Cb -0.50 -3.61 0.00 0.00 1.00 0.00 0.00 33.01 29.90 2io0 s GLN 90 CO 0.56 -0.81 0.00 2.41 -2.12 0.00 0.00 175.29 175.33 2io0 n THR 91 N 4.85 0.00 0.00 -0.19 -1.04 -1.26 -5.13 114.28 111.51 2io0 n THR 91 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2io0 n THR 91 Cb 0.44 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 2io0 n THR 91 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2io0 n GLY 92 N 4.89 0.37 2.49 3.41 0.00 -1.26 -5.11 105.19 109.98 2io0 n GLY 92 Ca 0.00 0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 2io0 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2io0 n GLY 93 N 0.00 2.90 3.10 -0.02 0.00 -1.26 -5.13 105.19 104.78 2io0 n GLY 93 Ca 0.00 -2.26 -0.12 0.00 0.00 0.00 0.00 46.02 43.64 2io0 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2io0 s VAL 94 N -1.81 -0.02 -0.10 1.61 1.01 -1.26 -5.14 120.40 114.69 2io0 s VAL 94 Ca 0.19 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.13 2io0 s VAL 94 Cb -0.02 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.95 2io0 s VAL 94 CO 0.12 0.03 0.27 -0.47 0.00 0.00 0.00 175.10 175.05 2io0 s TYR 95 N 0.69 3.58 -0.48 5.22 5.04 -1.26 -5.05 117.35 125.09 2io0 s TYR 95 Ca -0.05 0.67 0.04 0.00 -2.44 0.00 0.00 57.07 55.30 2io0 s TYR 95 Cb -0.06 -2.18 0.12 0.00 0.35 0.00 0.00 41.96 40.20 2io0 s TYR 95 CO -0.04 0.53 0.22 -0.51 -1.34 0.00 0.00 175.55 174.41 2io0 s LEU 96 N -0.50 4.39 -0.06 6.97 1.43 -1.26 -5.07 118.68 124.57 2io0 s LEU 96 Ca 0.18 -2.85 -0.29 0.00 -1.03 0.00 0.00 54.13 50.14 2io0 s LEU 96 Cb -0.14 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2io0 s LEU 96 CO 0.06 -0.26 0.98 -1.83 0.23 0.00 0.00 176.35 175.54 2io0 s GLU 97 N -0.06 4.48 -0.13 1.70 -1.05 -1.26 -5.03 118.70 117.35 2io0 s GLU 97 Ca 0.16 1.38 -0.06 0.00 -0.15 0.00 0.00 54.97 56.30 2io0 s GLU 97 Cb -0.25 -3.51 -0.04 0.00 -0.44 0.00 0.00 34.13 29.90 2io0 s GLU 97 CO -0.02 -0.20 0.10 -1.58 0.95 0.00 0.00 175.26 174.51 2io0 s HIS 98 N 1.57 3.44 0.00 4.83 2.46 -1.26 -5.35 115.29 120.98 2io0 s HIS 98 Ca 0.49 0.38 0.00 0.00 0.47 0.00 0.00 55.06 56.41 2io0 s HIS 98 Cb -0.19 -1.94 0.00 0.00 -0.13 0.00 0.00 32.58 30.32 2io0 s HIS 98 CO 0.22 0.57 0.00 0.72 -2.47 0.00 0.00 174.74 173.78