#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oih n GLU 5 N 0.00 0.21 -4.05 -0.52 0.00 -1.26 -4.98 120.64 110.04 2oih n GLU 5 Ca 0.00 0.08 -0.23 0.00 0.00 0.00 0.00 57.16 57.01 2oih n GLU 5 Cb 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 31.44 30.20 2oih n GLU 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2oih s THR 6 N -1.64 4.78 0.36 3.84 2.01 -1.26 -5.12 115.64 118.61 2oih s THR 6 Ca 0.61 -1.16 -0.12 0.00 0.31 0.00 0.00 61.69 61.33 2oih s THR 6 Cb -0.60 -3.55 -0.07 0.00 0.01 0.00 0.00 72.50 68.28 2oih s THR 6 CO 0.61 -0.28 0.73 -0.13 -0.69 0.00 0.00 174.62 174.86 2oih s ARG 7 N -3.71 3.85 0.26 4.92 1.81 -1.26 -4.91 118.95 119.91 2oih s ARG 7 Ca 0.33 0.50 -0.29 0.00 -1.72 0.00 0.00 55.73 54.56 2oih s ARG 7 Cb -0.09 -2.43 -0.15 0.00 -0.45 0.00 0.00 34.95 31.83 2oih s ARG 7 CO 0.26 0.07 0.95 -2.30 -0.68 0.00 0.00 175.30 173.60 2oih n PRO 8 N -0.87 1.09 -4.03 3.54 -0.02 -1.26 -4.80 135.00 128.66 2oih n PRO 8 Ca 0.02 0.38 -0.09 0.00 -2.02 0.00 0.00 63.50 61.80 2oih n PRO 8 Cb 0.54 -1.71 -0.08 0.00 -0.02 0.00 0.00 33.50 32.22 2oih n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2oih s ASN 9 N -0.55 0.19 0.48 2.55 3.84 -1.26 -5.02 114.94 115.18 2oih s ASN 9 Ca 0.62 -0.97 0.28 0.00 0.21 0.00 0.00 52.86 52.99 2oih s ASN 9 Cb -0.76 0.35 0.98 0.00 -0.55 0.00 0.00 41.25 41.27 2oih s ASN 9 CO 0.58 -0.78 1.84 0.45 -2.79 0.00 0.00 177.10 176.40 2oih h HIS 10 N 2.74 0.00 -3.43 0.43 3.86 -1.91 -3.44 115.15 113.41 2oih h HIS 10 Ca -0.33 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.23 2oih h HIS 10 Cb 1.21 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.45 2oih h HIS 10 CO 0.43 0.10 -0.65 0.99 0.86 0.00 0.00 177.93 179.65 2oih s THR 11 N -3.55 4.01 -0.03 2.45 2.01 -1.26 -0.85 115.64 118.42 2oih s THR 11 Ca 0.02 -0.29 -0.09 0.00 0.31 0.00 0.00 61.69 61.63 2oih s THR 11 Cb 0.09 -2.81 -0.05 0.00 0.01 0.00 0.00 72.50 69.73 2oih s THR 11 CO 0.61 0.43 0.28 0.27 -0.69 0.00 0.00 174.62 175.51 2oih s ILE 12 N 0.96 5.27 -0.28 1.82 -4.36 -0.61 -0.89 121.20 123.11 2oih s ILE 12 Ca 0.02 0.40 -0.09 0.00 -0.26 0.00 0.00 60.65 60.72 2oih s ILE 12 Cb -0.14 -3.56 -0.02 0.00 1.25 0.00 0.00 42.46 39.98 2oih s ILE 12 CO 0.02 0.51 0.12 -0.47 0.24 0.00 0.00 174.94 175.36 2oih s TYR 13 N -1.15 3.14 -0.12 1.37 6.14 0.12 -2.08 117.35 124.77 2oih s TYR 13 Ca 0.23 -0.40 -0.02 0.00 0.64 0.00 0.00 57.07 57.52 2oih s TYR 13 Cb -0.14 -2.31 -0.03 0.00 0.42 0.00 0.00 41.96 39.91 2oih s TYR 13 CO 0.11 -0.37 -0.05 0.42 0.64 0.00 0.00 175.55 176.31 2oih s ILE 14 N 1.64 3.84 0.25 3.14 1.01 -0.12 -1.35 121.20 129.61 2oih s ILE 14 Ca 0.06 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.36 2oih s ILE 14 Cb -0.16 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 2oih s ILE 14 CO 0.06 0.54 0.18 -0.46 0.00 0.00 0.00 174.94 175.26 2oih n ASN 15 N 3.00 -0.15 -1.89 3.58 6.94 0.04 -0.14 115.26 126.64 2oih n ASN 15 Ca -0.18 -2.57 -0.14 0.00 -0.02 0.00 0.00 54.58 51.68 2oih n ASN 15 Cb 0.53 1.10 0.02 0.00 -2.36 0.00 0.00 39.78 39.06 2oih n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2oih n ASN 16 N -1.98 -4.41 -4.84 0.53 4.05 -0.78 -2.24 115.26 105.58 2oih n ASN 16 Ca 0.03 -0.14 -0.36 0.00 0.45 0.00 0.00 54.58 54.56 2oih n ASN 16 Cb 0.43 -3.37 -0.06 0.00 1.23 0.00 0.00 39.78 38.02 2oih n ASN 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2oih s LEU 17 N -4.31 4.40 -0.20 1.20 1.43 -0.49 -4.56 118.68 116.16 2oih s LEU 17 Ca 0.14 1.01 -0.36 0.00 -1.03 0.00 0.00 54.13 53.90 2oih s LEU 17 Cb -0.06 -2.99 -0.12 0.00 0.03 0.00 0.00 46.19 43.05 2oih s LEU 17 CO 0.17 0.20 1.92 -3.20 0.23 0.00 0.00 176.35 175.68 2oih n ASN 18 N 1.20 2.90 0.00 2.29 2.85 -1.26 -4.40 115.26 118.84 2oih n ASN 18 Ca -0.09 0.86 0.14 0.00 -0.11 0.00 0.00 54.58 55.38 2oih n ASN 18 Cb 0.52 -1.29 0.71 0.00 1.24 0.00 0.00 39.78 40.95 2oih n ASN 18 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2oih n GLU 19 N 6.73 0.37 0.00 1.20 1.02 -1.26 -3.47 120.64 125.23 2oih n GLU 19 Ca 0.28 0.02 0.15 0.00 -0.02 0.00 0.00 57.16 57.58 2oih n GLU 19 Cb 0.24 -1.50 0.77 0.00 -0.02 0.00 0.00 31.44 30.93 2oih n GLU 19 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2oih n LYS 20 N -1.31 1.09 -3.25 3.49 4.76 -1.26 -4.85 118.16 116.82 2oih n LYS 20 Ca 0.13 -0.29 -0.38 0.00 -2.87 0.00 0.00 58.31 54.89 2oih n LYS 20 Cb 0.24 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 31.88 2oih n LYS 20 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2oih s ILE 21 N -2.11 5.15 0.61 -0.18 -1.09 -1.23 -5.05 121.20 117.30 2oih s ILE 21 Ca 0.41 1.04 -0.19 0.00 -2.23 0.00 0.00 60.65 59.69 2oih s ILE 21 Cb 0.21 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 2oih s ILE 21 CO 0.38 0.29 1.23 -0.54 -1.23 0.00 0.00 174.94 175.07 2oih s LYS 22 N 0.82 2.85 0.16 2.79 1.02 -1.26 -4.73 119.74 121.39 2oih s LYS 22 Ca 0.28 1.89 -0.19 0.00 0.02 0.00 0.00 55.97 57.97 2oih s LYS 22 Cb -0.16 -1.91 0.09 0.00 -0.52 0.00 0.00 37.83 35.33 2oih s LYS 22 CO 0.11 -1.32 1.65 -0.22 -0.92 0.00 0.00 175.35 174.66 2oih h LYS 23 N 0.78 -0.09 -0.75 1.68 3.64 -1.97 -0.24 116.57 119.62 2oih h LYS 23 Ca -0.51 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.91 2oih h LYS 23 Cb 1.31 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 33.11 2oih h LYS 23 CO 0.54 -0.06 0.48 0.22 -2.27 0.00 0.00 179.45 178.36 2oih h ASP 24 N -0.10 0.80 -0.18 4.20 3.58 -1.98 -1.49 116.42 121.25 2oih h ASP 24 Ca 0.18 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.57 2oih h ASP 24 Cb 0.38 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.24 2oih h ASP 24 CO -0.43 0.56 -0.10 -0.08 -2.88 0.00 0.00 179.24 176.31 2oih h GLU 25 N 0.95 0.39 -0.51 0.28 4.81 -1.79 -2.47 114.58 116.23 2oih h GLU 25 Ca 0.30 -0.17 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 2oih h GLU 25 Cb -0.02 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 2oih h GLU 25 CO -0.10 0.69 0.23 1.25 -0.73 0.00 0.00 179.01 180.36 2oih h LEU 26 N 0.07 0.30 -0.26 1.64 5.85 -0.81 0.22 115.31 122.32 2oih h LEU 26 Ca 0.04 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2oih h LEU 26 Cb 0.58 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2oih h LEU 26 CO 0.03 0.21 0.17 0.11 -0.34 0.00 0.00 178.44 178.61 2oih h LYS 27 N 0.45 0.34 0.14 1.25 1.57 -1.26 -0.17 116.57 118.89 2oih h LYS 27 Ca 0.23 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2oih h LYS 27 Cb 0.19 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2oih h LYS 27 CO -0.19 0.24 -0.10 0.87 -0.57 0.00 0.00 179.45 179.69 2oih h LYS 28 N 0.34 -0.24 -0.90 3.15 1.79 -0.91 -1.40 116.57 118.40 2oih h LYS 28 Ca 0.09 0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.62 2oih h LYS 28 Cb -0.03 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.62 2oih h LYS 28 CO -0.02 -0.16 0.59 0.77 -1.08 0.00 0.00 179.45 179.56 2oih h SER 29 N -0.24 0.97 -0.49 0.86 0.02 -0.35 -1.00 113.55 113.31 2oih h SER 29 Ca -0.01 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.83 2oih h SER 29 Cb 0.22 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2oih h SER 29 CO -0.00 0.66 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.20 2oih h LEU 30 N 1.13 0.95 -1.09 5.07 3.38 -0.74 -2.37 115.31 121.63 2oih h LEU 30 Ca 0.36 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2oih h LEU 30 Cb 0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2oih h LEU 30 CO -0.11 1.05 0.04 -0.74 0.09 0.00 0.00 178.44 178.77 2oih h HIS 31 N 0.87 0.71 -0.93 1.13 2.76 -0.56 -0.73 115.15 118.39 2oih h HIS 31 Ca 0.14 -0.08 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 2oih h HIS 31 Cb 0.62 -0.20 -0.06 0.00 1.55 0.00 0.00 27.41 29.32 2oih h HIS 31 CO 0.04 0.65 0.61 0.00 -1.30 0.00 0.00 177.93 177.93 2oih h ALA 32 N 1.39 1.43 0.00 5.26 0.00 -0.67 -1.77 119.26 124.91 2oih h ALA 32 Ca 0.14 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.68 2oih h ALA 32 Cb 0.35 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2oih h ALA 32 CO 0.01 0.45 -2.12 0.44 0.00 0.00 0.00 179.25 178.04 2oih n ILE 33 N -4.46 1.42 0.35 0.00 -5.35 -1.07 -4.51 119.36 105.74 2oih n ILE 33 Ca 0.13 -0.82 0.12 0.00 -0.27 0.00 0.00 62.75 61.90 2oih n ILE 33 Cb 0.14 -0.65 0.06 0.00 -1.74 0.00 0.00 39.64 37.44 2oih n ILE 33 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2oih n PHE 34 N -2.84 0.66 0.23 4.28 3.72 -0.30 -4.34 117.46 118.88 2oih n PHE 34 Ca -0.26 0.19 0.11 0.00 -0.05 0.00 0.00 57.45 57.45 2oih n PHE 34 Cb 1.10 -0.74 0.72 0.00 -0.94 0.00 0.00 39.48 39.61 2oih n PHE 34 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2oih h SER 35 N 0.00 0.00 0.64 4.37 4.64 -1.51 -2.49 113.55 119.20 2oih h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2oih h SER 35 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 2oih h SER 35 CO 0.00 0.00 0.00 0.08 -0.87 0.00 0.00 176.83 176.04 2oih h ARG 36 N 0.00 0.00 0.00 4.77 0.11 -1.84 -2.78 114.38 114.64 2oih h ARG 36 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 2oih h ARG 36 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 2oih h ARG 36 CO -0.00 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.26 2oih n PHE 37 N -2.37 0.63 0.00 4.08 3.72 -0.94 -4.98 117.46 117.60 2oih n PHE 37 Ca 0.01 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 2oih n PHE 37 Cb 0.21 -0.82 0.00 0.00 -0.94 0.00 0.00 39.48 37.93 2oih n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2oih n GLY 38 N 1.11 2.97 3.66 1.37 0.00 -1.05 -4.26 105.19 108.98 2oih n GLY 38 Ca 0.05 -1.47 -0.44 0.00 0.00 0.00 0.00 46.02 44.16 2oih n GLY 38 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2oih n GLN 39 N -1.64 1.85 -4.34 1.61 7.27 -1.26 -4.72 117.38 116.13 2oih n GLN 39 Ca 0.00 0.65 -0.34 0.00 0.07 0.00 0.00 57.00 57.38 2oih n GLN 39 Cb 0.00 -2.18 -0.13 0.00 2.41 0.00 0.00 30.24 30.34 2oih n GLN 39 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2oih s ILE 40 N -0.84 3.54 0.05 1.69 1.01 -1.26 -2.23 121.20 123.16 2oih s ILE 40 Ca 0.60 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.83 2oih s ILE 40 Cb -0.63 -2.56 -0.24 0.00 0.01 0.00 0.00 42.46 39.04 2oih s ILE 40 CO 0.59 0.48 1.02 -0.07 0.00 0.00 0.00 174.94 176.95 2oih h LEU 41 N 7.14 0.12 -7.00 2.97 3.38 0.01 -3.47 115.31 118.45 2oih h LEU 41 Ca -0.33 -0.16 0.30 0.00 0.09 0.00 0.00 57.88 57.79 2oih h LEU 41 Cb 1.19 -0.04 -0.20 0.00 0.09 0.00 0.00 40.66 41.69 2oih h LEU 41 CO 0.60 1.13 0.93 -0.62 0.09 0.00 0.00 178.44 180.56 2oih s ASP 42 N -6.65 -0.05 -0.11 -0.43 -1.08 -1.17 -5.01 116.67 102.16 2oih s ASP 42 Ca -0.03 0.00 0.01 0.00 -0.52 0.00 0.00 52.55 52.01 2oih s ASP 42 Cb 0.09 0.06 0.02 0.00 -1.46 0.00 0.00 42.92 41.62 2oih s ASP 42 CO 0.83 -0.09 -0.12 -0.63 0.52 0.00 0.00 175.17 175.69 2oih s ILE 43 N -2.11 1.27 -0.19 4.11 1.01 -1.26 0.17 121.20 124.21 2oih s ILE 43 Ca 0.11 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 2oih s ILE 43 Cb -0.01 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 2oih s ILE 43 CO -0.03 0.40 0.00 -0.76 0.00 0.00 0.00 174.94 174.55 2oih s LEU 44 N 1.26 3.34 0.01 2.97 1.02 0.95 -4.93 118.68 123.30 2oih s LEU 44 Ca -0.02 -0.14 0.01 0.00 0.02 0.00 0.00 54.13 53.99 2oih s LEU 44 Cb -0.14 -1.84 -0.01 0.00 0.02 0.00 0.00 46.19 44.22 2oih s LEU 44 CO -0.04 0.10 -0.03 -0.69 0.02 0.00 0.00 176.35 175.71 2oih s VAL 45 N 0.77 0.22 -0.01 -1.59 1.01 -1.26 -0.74 120.40 118.80 2oih s VAL 45 Ca 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 2oih s VAL 45 Cb -0.14 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 35.99 2oih s VAL 45 CO 0.02 -0.15 0.13 -0.55 0.00 0.00 0.00 175.10 174.55 2oih s SER 46 N -0.64 -0.01 -0.00 3.32 0.15 -1.26 -5.04 113.70 110.22 2oih s SER 46 Ca -0.05 -0.10 0.20 0.00 0.70 0.00 0.00 55.95 56.70 2oih s SER 46 Cb -0.05 0.23 0.58 0.00 -1.71 0.00 0.00 66.02 65.07 2oih s SER 46 CO -0.00 -0.30 1.48 0.54 1.20 0.00 0.00 173.24 176.17 2oih n ARG 47 N 1.80 2.79 -1.54 5.44 5.12 -1.26 -3.37 116.66 125.65 2oih n ARG 47 Ca -0.20 -2.55 -0.35 0.00 -1.93 0.00 0.00 57.85 52.82 2oih n ARG 47 Cb 0.56 -1.52 0.08 0.00 -1.16 0.00 0.00 32.46 30.43 2oih n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2oih s SER 48 N -1.00 4.34 0.31 0.55 1.04 -1.26 -4.46 113.70 113.22 2oih s SER 48 Ca 0.44 2.42 0.07 0.00 0.48 0.00 0.00 55.95 59.35 2oih s SER 48 Cb 0.23 -2.60 0.85 0.00 0.10 0.00 0.00 66.02 64.61 2oih s SER 48 CO 0.29 -2.17 1.65 0.25 0.98 0.00 0.00 173.24 174.25 2oih h LEU 49 N -0.04 0.20 -0.22 2.42 5.85 -1.98 0.67 115.31 122.22 2oih h LEU 49 Ca -0.49 0.19 -0.15 0.00 0.84 0.00 0.00 57.88 58.28 2oih h LEU 49 Cb 1.30 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.55 2oih h LEU 49 CO 0.51 -0.14 -0.44 0.50 -0.34 0.00 0.00 178.44 178.52 2oih h LYS 50 N 0.26 0.69 -0.01 1.25 3.64 -1.98 -3.36 116.57 117.05 2oih h LYS 50 Ca 0.62 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2oih h LYS 50 Cb 1.32 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2oih h LYS 50 CO -0.64 1.07 -0.39 -1.33 -2.27 0.00 0.00 179.45 175.89 2oih n MET 51 N -4.18 1.07 -1.29 1.90 2.81 -0.36 -5.01 117.12 112.07 2oih n MET 51 Ca -0.06 -0.81 -0.33 0.00 -1.81 0.00 0.00 57.70 54.69 2oih n MET 51 Cb 0.56 -1.48 0.10 0.00 -0.71 0.00 0.00 33.22 31.69 2oih n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 2oih s ARG 52 N -2.48 1.96 -0.35 0.03 1.70 0.09 -3.09 118.95 116.80 2oih s ARG 52 Ca 0.21 1.65 0.00 0.00 -0.47 0.00 0.00 55.73 57.12 2oih s ARG 52 Cb 0.19 -1.82 0.00 0.00 -0.57 0.00 0.00 34.95 32.74 2oih s ARG 52 CO 0.55 -1.95 0.00 0.41 -1.08 0.00 0.00 175.30 173.23 2oih n GLY 53 N 0.18 0.59 3.18 3.88 0.00 -1.26 -4.96 105.19 106.79 2oih n GLY 53 Ca 0.13 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 2oih n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2oih s GLN 54 N -1.56 0.87 -0.00 1.61 -0.21 -1.18 -1.40 119.66 117.79 2oih s GLN 54 Ca 0.00 -1.24 -0.26 0.00 0.02 0.00 0.00 55.36 53.88 2oih s GLN 54 Cb 0.00 -0.46 0.06 0.00 1.00 0.00 0.00 33.01 33.61 2oih s GLN 54 CO 0.00 0.05 0.58 0.00 -2.12 0.00 0.00 175.29 173.81 2oih s ALA 55 N -2.85 -1.51 -0.28 6.09 0.00 0.80 -4.52 121.76 119.49 2oih s ALA 55 Ca 0.08 0.93 0.02 0.00 0.00 0.00 0.00 51.96 53.00 2oih s ALA 55 Cb -0.00 0.19 0.06 0.00 0.00 0.00 0.00 23.12 23.37 2oih s ALA 55 CO -0.01 -0.43 -0.06 -0.06 0.00 0.00 0.00 175.76 175.20 2oih s PHE 56 N -1.77 3.34 -0.33 0.00 0.40 0.08 -0.94 117.98 118.76 2oih s PHE 56 Ca -0.09 -2.34 -0.17 0.00 -0.60 0.00 0.00 56.93 53.73 2oih s PHE 56 Cb -0.01 -2.13 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 2oih s PHE 56 CO 0.04 -0.88 0.46 0.08 0.70 0.00 0.00 175.22 175.63 2oih s VAL 57 N 1.10 5.07 -0.46 -0.44 1.01 -0.88 -0.03 120.40 125.77 2oih s VAL 57 Ca -0.05 0.32 -0.15 0.00 0.00 0.00 0.00 61.98 62.10 2oih s VAL 57 Cb -0.20 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.35 2oih s VAL 57 CO -0.05 -0.13 0.38 -0.63 0.00 0.00 0.00 175.10 174.67 2oih s ILE 58 N 2.26 5.20 0.28 2.22 1.01 0.13 -1.58 121.20 130.72 2oih s ILE 58 Ca 0.17 -1.02 -0.16 0.00 0.00 0.00 0.00 60.65 59.64 2oih s ILE 58 Cb -0.16 -4.08 -0.09 0.00 0.01 0.00 0.00 42.46 38.15 2oih s ILE 58 CO 0.12 -0.54 0.71 -0.36 0.00 0.00 0.00 174.94 174.87 2oih s PHE 59 N 1.64 3.46 0.23 3.97 0.08 -0.03 0.74 117.98 128.07 2oih s PHE 59 Ca 0.04 1.23 0.03 0.00 0.12 0.00 0.00 56.93 58.36 2oih s PHE 59 Cb -0.24 -2.53 0.24 0.00 -0.57 0.00 0.00 43.02 39.92 2oih s PHE 59 CO 0.07 0.19 1.56 -0.22 -0.10 0.00 0.00 175.22 176.72 2oih h LYS 60 N 2.66 0.30 -5.42 0.44 3.64 -1.72 -3.43 116.57 113.04 2oih h LYS 60 Ca -0.48 -0.20 -0.58 0.00 -1.27 0.00 0.00 60.65 58.12 2oih h LYS 60 Cb 1.18 0.03 -0.31 0.00 -0.41 0.00 0.00 32.23 32.71 2oih h LYS 60 CO 0.66 0.79 -0.85 -1.21 -2.27 0.00 0.00 179.45 176.57 2oih s GLU 61 N -3.85 1.90 0.48 1.90 2.02 -1.26 -5.01 118.70 114.88 2oih s GLU 61 Ca -0.05 -0.66 0.21 0.00 0.02 0.00 0.00 54.97 54.49 2oih s GLU 61 Cb 0.12 -1.65 1.24 0.00 0.10 0.00 0.00 34.13 33.94 2oih s GLU 61 CO 0.80 0.27 1.95 0.28 0.02 0.00 0.00 175.26 178.59 2oih h VAL 62 N 5.21 0.75 -0.22 2.63 2.07 -1.84 -1.55 116.25 123.31 2oih h VAL 62 Ca -0.32 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.15 2oih h VAL 62 Cb 1.17 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2oih h VAL 62 CO 0.48 0.04 0.07 0.77 0.02 0.00 0.00 177.57 178.95 2oih h SER 63 N 0.20 0.08 -0.22 0.57 4.64 -1.95 0.92 113.55 117.79 2oih h SER 63 Ca 0.32 0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.71 2oih h SER 63 Cb 0.97 0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.03 2oih h SER 63 CO -0.06 0.08 -0.12 0.28 -0.87 0.00 0.00 176.83 176.14 2oih h SER 64 N 0.17 -0.39 -0.89 4.97 0.02 -1.46 0.18 113.55 116.16 2oih h SER 64 Ca 0.10 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2oih h SER 64 Cb 0.07 0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.77 2oih h SER 64 CO -0.10 -0.15 0.52 0.00 -1.14 0.00 0.00 176.83 175.96 2oih h ALA 65 N 1.08 1.25 -0.41 3.77 0.00 -1.33 0.41 119.26 124.04 2oih h ALA 65 Ca 0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2oih h ALA 65 Cb 0.28 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2oih h ALA 65 CO -0.28 0.63 0.05 1.15 0.00 0.00 0.00 179.25 180.80 2oih h THR 66 N 1.23 1.25 -0.20 0.00 2.02 0.02 -0.73 112.91 116.50 2oih h THR 66 Ca 0.32 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 66.61 2oih h THR 66 Cb -0.03 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 2oih h THR 66 CO -0.06 0.31 0.09 0.78 0.37 0.00 0.00 175.52 177.01 2oih h ASN 67 N 0.53 0.13 -0.82 4.18 4.21 -0.10 -2.57 115.58 121.14 2oih h ASN 67 Ca 0.12 0.01 -0.01 0.00 1.21 0.00 0.00 56.30 57.63 2oih h ASN 67 Cb 0.40 -0.01 -0.04 0.00 -1.12 0.00 0.00 38.32 37.54 2oih h ASN 67 CO 0.01 0.10 0.46 0.00 -1.29 0.00 0.00 177.43 176.72 2oih h ALA 68 N 1.11 1.26 0.46 -0.83 0.00 -0.76 0.32 119.26 120.81 2oih h ALA 68 Ca 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2oih h ALA 68 Cb 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2oih h ALA 68 CO -0.06 0.61 -0.22 1.25 0.00 0.00 0.00 179.25 180.82 2oih h LEU 69 N 1.15 -0.52 -0.26 0.00 5.85 -0.89 -1.02 115.31 119.61 2oih h LEU 69 Ca 0.29 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.94 2oih h LEU 69 Cb 0.01 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2oih h LEU 69 CO -0.05 -0.34 -0.10 0.03 -0.34 0.00 0.00 178.44 177.64 2oih h ARG 70 N -0.66 0.54 -0.23 1.25 3.08 -1.36 -2.67 114.38 114.33 2oih h ARG 70 Ca -0.06 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 59.68 2oih h ARG 70 Cb 0.50 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2oih h ARG 70 CO 0.10 0.77 -0.21 0.77 -1.07 0.00 0.00 179.97 180.34 2oih h SER 71 N 0.27 0.40 -0.41 7.04 0.02 -0.94 -3.27 113.55 116.66 2oih h SER 71 Ca 0.06 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 2oih h SER 71 Cb 0.60 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2oih h SER 71 CO 0.03 0.62 0.00 0.23 -1.14 0.00 0.00 176.83 176.57 2oih n MET 72 N -4.16 2.80 -1.68 3.45 2.81 -0.39 -4.95 117.12 115.00 2oih n MET 72 Ca -0.00 -2.15 -0.45 0.00 -1.81 0.00 0.00 57.70 53.28 2oih n MET 72 Cb 0.36 -1.33 -0.04 0.00 -0.71 0.00 0.00 33.22 31.50 2oih n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2oih n GLN 73 N 0.74 2.43 -1.61 0.03 -0.06 -1.01 -1.26 117.38 116.64 2oih n GLN 73 Ca 0.14 0.88 -0.13 0.00 -2.00 0.00 0.00 57.00 55.89 2oih n GLN 73 Cb 0.46 -2.73 -0.04 0.00 -4.06 0.00 0.00 30.24 23.87 2oih n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2oih n GLY 74 N 4.05 0.98 3.70 1.69 0.00 0.22 -4.96 105.19 110.88 2oih n GLY 74 Ca 0.19 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 2oih n GLY 74 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2oih s PHE 75 N -2.53 3.25 -0.09 1.61 5.36 -0.39 -4.31 117.98 120.88 2oih s PHE 75 Ca 0.00 1.14 -0.29 0.00 -0.96 0.00 0.00 56.93 56.82 2oih s PHE 75 Cb 0.00 -3.51 -0.06 0.00 -0.34 0.00 0.00 43.02 39.11 2oih s PHE 75 CO 0.00 -1.68 1.82 -2.14 -1.46 0.00 0.00 175.22 171.76 2oih s PRO 76 N 1.52 3.93 -0.06 10.12 0.02 -1.26 -1.42 135.00 147.86 2oih s PRO 76 Ca 0.60 2.18 -0.00 0.00 0.02 0.00 0.00 61.00 63.80 2oih s PRO 76 Cb -0.30 -4.11 0.03 0.00 0.02 0.00 0.00 34.50 30.14 2oih s PRO 76 CO 0.28 -1.16 -0.02 0.12 -0.33 0.00 0.00 177.00 175.88 2oih s PHE 77 N 5.03 0.75 -1.60 6.54 5.36 -0.05 -4.74 117.98 129.26 2oih s PHE 77 Ca 0.81 -0.22 -0.11 0.00 -0.96 0.00 0.00 56.93 56.45 2oih s PHE 77 Cb -0.34 -0.77 0.10 0.00 -0.34 0.00 0.00 43.02 41.66 2oih s PHE 77 CO 0.34 -0.28 0.58 0.66 -1.46 0.00 0.00 175.22 175.05 2oih n TYR 78 N 4.67 -1.63 -0.84 10.12 4.01 -1.26 -1.01 117.16 131.22 2oih n TYR 78 Ca -0.15 0.76 0.00 0.00 -0.16 0.00 0.00 57.90 58.35 2oih n TYR 78 Cb 0.50 -3.13 0.00 0.00 -0.31 0.00 0.00 39.34 36.41 2oih n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2oih n ASP 79 N -2.77 -1.04 -4.31 7.72 8.00 -1.26 -4.69 116.55 118.19 2oih n ASP 79 Ca -0.09 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.12 2oih n ASP 79 Cb 0.57 -1.22 -0.15 0.00 -0.02 0.00 0.00 41.12 40.31 2oih n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2oih s LYS 80 N -0.52 1.78 -0.42 -1.24 1.02 -0.18 -5.05 119.74 115.13 2oih s LYS 80 Ca 0.00 -1.01 -0.28 0.00 0.02 0.00 0.00 55.97 54.69 2oih s LYS 80 Cb 0.00 -1.87 -0.00 0.00 -0.52 0.00 0.00 37.83 35.43 2oih s LYS 80 CO 0.00 0.49 1.58 -2.14 -0.92 0.00 0.00 175.35 174.37 2oih s PRO 81 N -1.04 3.38 0.36 -1.68 0.02 -1.26 -0.87 135.00 133.90 2oih s PRO 81 Ca 0.10 1.02 -0.29 0.00 0.02 0.00 0.00 61.00 61.86 2oih s PRO 81 Cb -0.10 -4.13 -0.11 0.00 0.02 0.00 0.00 34.50 30.18 2oih s PRO 81 CO 0.01 -1.81 1.51 -0.12 -0.33 0.00 0.00 177.00 176.27 2oih n MET 82 N 8.36 2.68 -4.24 5.54 1.56 -0.50 -4.78 117.12 125.74 2oih n MET 82 Ca 0.19 0.94 -0.33 0.00 -0.27 0.00 0.00 57.70 58.23 2oih n MET 82 Cb 0.48 -2.69 -0.16 0.00 2.15 0.00 0.00 33.22 33.01 2oih n MET 82 CO 0.00 0.00 0.00 0.50 -0.73 0.00 0.00 175.97 175.74 2oih s ARG 83 N -1.68 3.06 0.04 2.12 3.52 -0.95 0.71 118.95 125.78 2oih s ARG 83 Ca 0.56 -0.80 0.08 0.00 -0.13 0.00 0.00 55.73 55.44 2oih s ARG 83 Cb -0.48 -2.60 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 2oih s ARG 83 CO 0.60 -0.15 -0.24 0.42 -0.81 0.00 0.00 175.30 175.12 2oih s ILE 84 N 1.17 1.91 0.35 4.11 1.01 -1.26 -0.78 121.20 127.72 2oih s ILE 84 Ca 0.02 -1.29 -0.02 0.00 0.00 0.00 0.00 60.65 59.36 2oih s ILE 84 Cb -0.14 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.69 2oih s ILE 84 CO -0.08 0.30 0.48 -1.10 0.00 0.00 0.00 174.94 174.53 2oih s GLN 85 N -1.19 1.95 0.15 2.79 -0.21 -0.46 -5.00 119.66 117.69 2oih s GLN 85 Ca 0.10 -1.80 -0.14 0.00 0.02 0.00 0.00 55.36 53.54 2oih s GLN 85 Cb -0.09 0.44 -0.07 0.00 1.00 0.00 0.00 33.01 34.29 2oih s GLN 85 CO 0.02 -0.81 0.54 0.71 -2.12 0.00 0.00 175.29 173.63 2oih s TYR 86 N -2.97 3.59 0.73 0.91 2.02 -1.26 0.12 117.35 120.50 2oih s TYR 86 Ca 0.31 1.03 -0.14 0.00 -0.37 0.00 0.00 57.07 57.90 2oih s TYR 86 Cb -0.01 -2.35 0.04 0.00 -0.40 0.00 0.00 41.96 39.25 2oih s TYR 86 CO 0.21 0.43 1.15 0.00 -1.57 0.00 0.00 175.55 175.77 2oih s ALA 87 N -1.48 2.17 0.19 3.71 0.00 -0.06 -4.54 121.76 121.74 2oih s ALA 87 Ca 0.38 0.65 -0.09 0.00 0.00 0.00 0.00 51.96 52.90 2oih s ALA 87 Cb -0.15 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 19.67 2oih s ALA 87 CO 0.19 -1.77 1.67 0.87 0.00 0.00 0.00 175.76 176.73 2oih h LYS 88 N -0.49 1.09 -4.89 0.00 1.57 -1.92 -3.45 116.57 108.47 2oih h LYS 88 Ca -0.46 -0.30 -0.37 0.00 -1.87 0.00 0.00 60.65 57.65 2oih h LYS 88 Cb 1.27 -0.12 -0.14 0.00 0.08 0.00 0.00 32.23 33.31 2oih h LYS 88 CO 0.50 1.01 -0.60 0.95 -0.57 0.00 0.00 179.45 180.74 2oih s THR 89 N -5.17 0.52 0.53 -0.16 -4.23 -1.26 -4.89 115.64 100.98 2oih s THR 89 Ca -0.12 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.19 2oih s THR 89 Cb 0.14 -2.61 -0.06 0.00 1.34 0.00 0.00 72.50 71.31 2oih s THR 89 CO 0.85 0.00 1.16 -1.81 -0.54 0.00 0.00 174.62 174.28 2oih s ASP 90 N -3.33 5.71 0.32 3.99 1.11 -1.26 -4.93 116.67 118.28 2oih s ASP 90 Ca 0.37 2.28 -0.24 0.00 0.18 0.00 0.00 52.55 55.13 2oih s ASP 90 Cb 0.07 -2.59 -0.10 0.00 1.07 0.00 0.00 42.92 41.37 2oih s ASP 90 CO 0.14 -1.23 0.91 -0.44 1.18 0.00 0.00 175.17 175.74 2oih s SER 91 N -1.60 7.25 0.44 0.27 0.01 -1.26 -4.89 113.70 113.92 2oih s SER 91 Ca 0.71 1.76 0.24 0.00 1.31 0.00 0.00 55.95 59.97 2oih s SER 91 Cb -0.27 -2.55 1.24 0.00 0.21 0.00 0.00 66.02 64.64 2oih s SER 91 CO 0.31 -0.09 1.79 0.44 0.41 0.00 0.00 173.24 176.10 2oih h ASP 92 N 3.03 0.31 -0.26 2.44 3.32 -1.99 0.33 116.42 123.59 2oih h ASP 92 Ca -0.47 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.60 2oih h ASP 92 Cb 1.19 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 2oih h ASP 92 CO 0.64 0.06 0.07 0.16 -1.72 0.00 0.00 179.24 178.46 2oih h ILE 93 N 0.27 1.17 -0.09 0.35 -2.65 -1.98 0.34 117.51 114.91 2oih h ILE 93 Ca 0.57 -0.61 -0.19 0.00 1.03 0.00 0.00 64.86 65.67 2oih h ILE 93 Cb 1.68 0.83 0.01 0.00 -2.05 0.00 0.00 36.82 37.30 2oih h ILE 93 CO -0.20 0.22 -0.68 0.40 0.03 0.00 0.00 178.15 177.91 2oih h ILE 94 N 0.50 1.33 -0.37 0.16 1.08 -0.74 -3.17 117.51 116.30 2oih h ILE 94 Ca 0.12 -1.96 -0.03 0.00 -0.39 0.00 0.00 64.86 62.59 2oih h ILE 94 Cb 0.21 2.21 -0.02 0.00 -3.07 0.00 0.00 36.82 36.16 2oih h ILE 94 CO -0.00 0.60 0.10 0.00 -0.69 0.00 0.00 178.15 178.16 2oih h ALA 95 N 0.47 0.48 0.00 1.87 0.00 -0.65 0.20 119.26 121.63 2oih h ALA 95 Ca -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2oih h ALA 95 Cb 1.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2oih h ALA 95 CO 0.14 0.14 0.06 0.87 0.00 0.00 0.00 179.25 180.45 2oih h LYS 96 N 0.44 0.00 0.00 0.00 1.57 -0.40 -3.30 116.57 114.88 2oih h LYS 96 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2oih h LYS 96 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2oih h LYS 96 CO -0.00 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.55 2oih n MET 97 N -2.56 0.00 0.00 3.15 2.81 -0.83 -5.09 117.12 114.61 2oih n MET 97 Ca -0.02 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.98 2oih n MET 97 Cb 0.10 0.00 0.65 0.00 -0.71 0.00 0.00 33.22 33.26 2oih n MET 97 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11