#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ehx n GLN 2 N 0.00 0.79 -2.46 0.03 6.02 -1.26 -5.03 117.38 115.47 1ehx n GLN 2 Ca 0.00 -2.35 -0.24 0.00 -0.01 0.00 0.00 57.00 54.40 1ehx n GLN 2 Cb 0.00 1.15 0.01 0.00 1.02 0.00 0.00 30.24 32.42 1ehx n GLN 2 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1ehx n ASP 3 N -1.61 4.31 -4.78 1.08 8.00 -1.26 -5.08 116.55 117.21 1ehx n ASP 3 Ca -0.06 -3.58 -0.37 0.00 0.71 0.00 0.00 54.79 51.49 1ehx n ASP 3 Cb 0.41 -0.46 -0.05 0.00 -0.02 0.00 0.00 41.12 41.01 1ehx n ASP 3 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1ehx s PRO 4 N -3.50 4.38 -0.32 -0.24 0.04 -1.26 -4.80 135.00 129.30 1ehx s PRO 4 Ca 0.46 1.51 0.02 0.00 0.04 0.00 0.00 61.00 63.03 1ehx s PRO 4 Cb 0.41 -2.74 0.10 0.00 0.04 0.00 0.00 34.50 32.30 1ehx s PRO 4 CO -0.14 0.06 0.05 0.99 0.04 0.00 0.00 177.00 178.00 1ehx s THR 5 N -1.55 1.77 0.00 1.26 2.01 -0.66 -4.96 115.64 113.51 1ehx s THR 5 Ca 0.53 -1.95 0.00 0.00 0.31 0.00 0.00 61.69 60.58 1ehx s THR 5 Cb -0.23 -2.29 0.00 0.00 0.01 0.00 0.00 72.50 69.99 1ehx s THR 5 CO 0.29 -0.58 0.00 2.30 -0.69 0.00 0.00 174.62 175.94 1ehx n ILE 6 N 4.48 0.00 -0.98 1.82 -5.35 -1.26 0.10 119.36 118.17 1ehx n ILE 6 Ca 0.01 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.14 1ehx n ILE 6 Cb 0.42 0.00 0.04 0.00 -1.74 0.00 0.00 39.64 38.36 1ehx n ILE 6 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1ehx n ASN 7 N -1.62 -5.65 -3.32 7.28 0.23 -0.74 -4.94 115.26 106.49 1ehx n ASN 7 Ca 0.00 0.21 0.00 0.00 -0.53 0.00 0.00 54.58 54.26 1ehx n ASN 7 Cb 0.00 -0.74 0.00 0.00 -2.08 0.00 0.00 39.78 36.96 1ehx n ASN 7 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1ehx n PRO 8 N 2.33 1.72 0.00 -0.53 -0.04 -1.26 -4.89 135.00 132.33 1ehx n PRO 8 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1ehx n PRO 8 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1ehx n PRO 8 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1ehx n THR 9 N -0.55 0.01 -3.70 0.52 -1.04 -1.26 -4.18 114.28 104.08 1ehx n THR 9 Ca 0.00 -0.02 -0.11 0.00 -2.04 0.00 0.00 64.05 61.88 1ehx n THR 9 Cb 0.00 1.29 -0.11 0.00 -1.82 0.00 0.00 70.33 69.69 1ehx n THR 9 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ehx s SER 10 N -0.01 -0.50 -0.03 8.00 0.15 -1.24 -1.00 113.70 119.07 1ehx s SER 10 Ca 0.00 0.88 -0.29 0.00 0.70 0.00 0.00 55.95 57.24 1ehx s SER 10 Cb 0.00 0.79 0.07 0.00 -1.71 0.00 0.00 66.02 65.16 1ehx s SER 10 CO 0.00 -0.18 0.65 -0.51 1.20 0.00 0.00 173.24 174.40 1ehx s ILE 11 N 1.17 0.00 -0.12 6.45 2.07 0.40 -4.89 121.20 126.29 1ehx s ILE 11 Ca -0.08 -0.03 -0.10 0.00 -1.41 0.00 0.00 60.65 59.04 1ehx s ILE 11 Cb -0.07 -0.98 0.04 0.00 0.13 0.00 0.00 42.46 41.57 1ehx s ILE 11 CO -0.10 -0.02 0.31 -0.44 -1.91 0.00 0.00 174.94 172.78 1ehx s SER 12 N -1.35 -0.33 -0.02 4.50 0.01 -1.26 0.55 113.70 115.79 1ehx s SER 12 Ca -0.10 0.64 -0.30 0.00 1.31 0.00 0.00 55.95 57.50 1ehx s SER 12 Cb -0.00 0.61 0.11 0.00 0.21 0.00 0.00 66.02 66.95 1ehx s SER 12 CO 0.07 -0.12 1.07 0.00 0.41 0.00 0.00 173.24 174.67 1ehx s ALA 13 N 0.45 -1.94 0.50 1.44 0.00 0.76 -4.90 121.76 118.08 1ehx s ALA 13 Ca -0.02 0.91 -0.21 0.00 0.00 0.00 0.00 51.96 52.64 1ehx s ALA 13 Cb -0.04 0.31 -0.07 0.00 0.00 0.00 0.00 23.12 23.32 1ehx s ALA 13 CO -0.02 -0.82 1.13 0.21 0.00 0.00 0.00 175.76 176.26 1ehx s LYS 14 N -2.82 3.59 -0.43 0.00 2.36 -1.26 -1.06 119.74 120.12 1ehx s LYS 14 Ca 0.10 1.64 -0.27 0.00 -2.55 0.00 0.00 55.97 54.89 1ehx s LYS 14 Cb 0.00 -2.19 -0.05 0.00 -1.05 0.00 0.00 37.83 34.54 1ehx s LYS 14 CO -0.04 -0.66 2.20 0.00 1.55 0.00 0.00 175.35 178.40 1ehx s ALA 15 N -1.71 2.12 0.00 3.13 0.00 0.20 -0.65 121.76 124.86 1ehx s ALA 15 Ca 0.68 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1ehx s ALA 15 Cb -0.25 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 18.64 1ehx s ALA 15 CO 0.29 -3.77 0.00 0.41 0.00 0.00 0.00 175.76 172.69 1ehx n GLY 16 N 5.83 2.89 0.00 0.00 0.00 -1.26 -4.78 105.19 107.87 1ehx n GLY 16 Ca 0.31 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.69 1ehx n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ehx n SER 17 N 0.00 0.00 -4.20 1.61 3.41 0.18 -4.09 113.62 110.53 1ehx n SER 17 Ca 0.00 -0.88 -0.44 0.00 -0.26 0.00 0.00 58.87 57.28 1ehx n SER 17 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ehx n SER 17 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ehx n PHE 18 N -0.55 4.02 -1.34 7.33 3.72 -1.25 -4.88 117.46 124.51 1ehx n PHE 18 Ca 0.01 -3.33 -0.32 0.00 -0.05 0.00 0.00 57.45 53.76 1ehx n PHE 18 Cb 0.01 -1.57 0.09 0.00 -0.94 0.00 0.00 39.48 37.06 1ehx n PHE 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ehx s ALA 19 N -1.66 2.22 -0.36 4.37 0.00 -1.26 -3.25 121.76 121.83 1ehx s ALA 19 Ca 0.32 0.41 -0.32 0.00 0.00 0.00 0.00 51.96 52.37 1ehx s ALA 19 Cb -0.03 -3.32 -0.14 0.00 0.00 0.00 0.00 23.12 19.63 1ehx s ALA 19 CO -0.00 -1.75 1.41 -3.47 0.00 0.00 0.00 175.76 171.95 1ehx n ASP 20 N -3.25 0.65 -4.17 0.00 2.03 -1.26 -4.53 116.55 106.02 1ehx n ASP 20 Ca 0.10 0.61 -0.39 0.00 0.52 0.00 0.00 54.79 55.63 1ehx n ASP 20 Cb 0.52 -0.64 -0.08 0.00 -0.72 0.00 0.00 41.12 40.20 1ehx n ASP 20 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1ehx s THR 21 N 3.59 4.09 -0.30 5.18 2.01 0.01 -4.88 115.64 125.33 1ehx s THR 21 Ca 0.83 -2.31 -0.29 0.00 0.31 0.00 0.00 61.69 60.23 1ehx s THR 21 Cb -1.08 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 67.74 1ehx s THR 21 CO 0.51 -0.83 1.63 -1.59 -0.69 0.00 0.00 174.62 173.65 1ehx s LYS 22 N 0.70 3.58 0.28 4.92 0.00 -1.26 0.05 119.74 128.01 1ehx s LYS 22 Ca 0.11 1.41 -0.03 0.00 0.00 0.00 0.00 55.97 57.46 1ehx s LYS 22 Cb -0.22 -4.09 -0.05 0.00 0.00 0.00 0.00 37.83 33.48 1ehx s LYS 22 CO -0.03 -1.55 0.52 0.42 0.00 0.00 0.00 175.35 174.70 1ehx s ILE 23 N 5.84 5.08 -0.22 3.79 1.01 0.56 -4.94 121.20 132.33 1ehx s ILE 23 Ca 0.72 -0.15 -0.04 0.00 0.00 0.00 0.00 60.65 61.18 1ehx s ILE 23 Cb -0.21 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 1ehx s ILE 23 CO 0.31 -0.35 -0.05 -0.89 0.00 0.00 0.00 174.94 173.97 1ehx s THR 24 N -2.10 3.33 -0.74 2.92 2.01 -1.26 -1.49 115.64 118.32 1ehx s THR 24 Ca 0.42 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 1ehx s THR 24 Cb -0.11 -2.51 0.19 0.00 0.01 0.00 0.00 72.50 70.09 1ehx s THR 24 CO 0.31 0.43 0.61 -0.76 -0.69 0.00 0.00 174.62 174.52 1ehx s LEU 25 N 1.42 5.69 -0.36 4.42 1.02 0.42 -1.80 118.68 129.50 1ehx s LEU 25 Ca 0.05 -3.02 -0.28 0.00 0.02 0.00 0.00 54.13 50.90 1ehx s LEU 25 Cb -0.14 -1.96 -0.01 0.00 0.02 0.00 0.00 46.19 44.10 1ehx s LEU 25 CO -0.03 -0.38 1.70 -0.89 0.02 0.00 0.00 176.35 176.77 1ehx s THR 26 N -0.31 3.58 -2.44 5.49 2.01 0.29 -4.03 115.64 120.23 1ehx s THR 26 Ca 0.20 0.58 0.23 0.00 0.31 0.00 0.00 61.69 63.01 1ehx s THR 26 Cb -0.15 -3.80 0.43 0.00 0.01 0.00 0.00 72.50 68.98 1ehx s THR 26 CO -0.06 -0.53 1.50 -0.81 -0.69 0.00 0.00 174.62 174.03 1ehx n PRO 27 N 8.37 2.01 -0.75 4.92 -0.04 -1.26 -1.66 135.00 146.58 1ehx n PRO 27 Ca 0.21 -1.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.16 1ehx n PRO 27 Cb 0.47 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1ehx n PRO 27 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1ehx n ASN 28 N 0.75 -0.64 0.00 3.54 2.85 -1.26 0.33 115.26 120.83 1ehx n ASN 28 Ca 0.17 -0.43 0.00 0.00 -0.11 0.00 0.00 54.58 54.21 1ehx n ASN 28 Cb 0.44 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.46 1ehx n ASN 28 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ehx n GLY 29 N 2.81 1.94 3.79 8.20 0.00 -1.26 -4.92 105.19 115.74 1ehx n GLY 29 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1ehx n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ehx s ASN 30 N -0.86 4.88 0.23 1.61 0.01 1.00 -4.99 114.94 116.82 1ehx s ASN 30 Ca 0.00 -0.73 0.05 0.00 -0.71 0.00 0.00 52.86 51.47 1ehx s ASN 30 Cb 0.00 -0.73 -0.05 0.00 0.41 0.00 0.00 41.25 40.87 1ehx s ASN 30 CO 0.00 -0.41 -0.06 0.28 -1.51 0.00 0.00 177.10 175.41 1ehx s THR 31 N -2.42 1.38 0.04 1.60 -1.32 -1.26 -4.21 115.64 109.44 1ehx s THR 31 Ca 0.41 -2.10 0.06 0.00 -1.21 0.00 0.00 61.69 58.85 1ehx s THR 31 Cb -0.03 -2.27 -0.03 0.00 -1.51 0.00 0.00 72.50 68.66 1ehx s THR 31 CO 0.25 -0.41 -0.14 0.12 -2.21 0.00 0.00 174.62 172.23 1ehx s PHE 32 N -3.19 2.67 -0.12 9.09 5.36 -1.26 -4.33 117.98 126.20 1ehx s PHE 32 Ca 0.26 -0.18 -0.07 0.00 -0.96 0.00 0.00 56.93 55.98 1ehx s PHE 32 Cb 0.04 -1.50 -0.05 0.00 -0.34 0.00 0.00 43.02 41.16 1ehx s PHE 32 CO 0.08 0.31 -0.17 -1.71 -1.46 0.00 0.00 175.22 172.28 1ehx n ASN 33 N 1.43 1.01 0.00 6.13 2.85 0.50 -4.94 115.26 122.24 1ehx n ASN 33 Ca -0.16 0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 1ehx n ASN 33 Cb 0.52 -0.41 0.00 0.00 1.24 0.00 0.00 39.78 41.13 1ehx n ASN 33 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ehx n GLY 34 N 2.22 4.02 3.40 8.20 0.00 -1.19 -4.92 105.19 116.91 1ehx n GLY 34 Ca -0.24 -0.76 -0.45 0.00 0.00 0.00 0.00 46.02 44.58 1ehx n GLY 34 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ehx s ILE 35 N -1.90 5.35 0.47 -0.61 1.10 -1.25 -1.52 121.20 122.84 1ehx s ILE 35 Ca 0.00 -2.61 0.30 0.00 -0.51 0.00 0.00 60.65 57.83 1ehx s ILE 35 Cb 0.00 -4.72 0.33 0.00 0.15 0.00 0.00 42.46 38.22 1ehx s ILE 35 CO 0.00 -1.36 2.14 0.77 -2.11 0.00 0.00 174.94 174.38 1ehx h SER 36 N 7.49 0.00 -1.39 4.50 4.64 -1.95 -1.73 113.55 125.12 1ehx h SER 36 Ca 0.21 0.00 0.41 0.00 -0.47 0.00 0.00 61.79 61.94 1ehx h SER 36 Cb 0.94 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.94 1ehx h SER 36 CO 1.06 0.07 0.96 -0.08 -0.87 0.00 0.00 176.83 177.97 1ehx h GLU 37 N 0.00 0.08 -2.72 4.77 4.81 -1.83 -3.12 114.58 116.58 1ehx h GLU 37 Ca -0.00 -0.01 -0.52 0.00 -0.13 0.00 0.00 59.36 58.71 1ehx h GLU 37 Cb 0.23 -0.02 -0.39 0.00 0.63 0.00 0.00 28.75 29.19 1ehx h GLU 37 CO 0.01 0.06 -0.77 -0.51 -0.73 0.00 0.00 179.01 177.06 1ehx s LEU 38 N -8.76 0.50 -0.53 1.64 1.43 -0.65 -4.96 118.68 107.36 1ehx s LEU 38 Ca -0.06 -1.30 -0.10 0.00 -1.03 0.00 0.00 54.13 51.63 1ehx s LEU 38 Cb 0.26 -0.28 -0.15 0.00 0.03 0.00 0.00 46.19 46.05 1ehx s LEU 38 CO 0.83 -0.43 1.27 0.00 0.23 0.00 0.00 176.35 178.26 1ehx n GLN 39 N 5.18 0.00 0.00 1.70 6.02 -1.18 -4.46 117.38 124.63 1ehx n GLN 39 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1ehx n GLN 39 Cb 0.42 -0.65 0.00 0.00 1.02 0.00 0.00 30.24 31.03 1ehx n GLN 39 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1ehx n SER 40 N 4.18 0.00 0.17 1.08 2.88 -1.25 0.23 113.62 120.90 1ehx n SER 40 Ca 0.35 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 58.06 1ehx n SER 40 Cb 0.05 0.00 0.59 0.00 -0.75 0.00 0.00 64.21 64.09 1ehx n SER 40 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1ehx h SER 41 N 0.00 0.00 -0.09 -3.46 0.87 -1.95 0.61 113.55 109.53 1ehx h SER 41 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1ehx h SER 41 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1ehx h SER 41 CO 0.00 0.00 0.02 0.06 -0.53 0.00 0.00 176.83 176.38 1ehx h GLN 42 N 0.00 0.21 0.00 2.24 -0.00 -0.44 -3.44 115.11 113.67 1ehx h GLN 42 Ca 0.14 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.77 1ehx h GLN 42 Cb 1.42 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 28.86 1ehx h GLN 42 CO -0.00 0.21 0.00 2.48 -0.00 0.00 0.00 178.83 181.52 1ehx n TYR 43 N -4.43 0.00 -3.62 0.06 0.18 0.21 -2.70 117.16 106.86 1ehx n TYR 43 Ca -0.01 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.48 1ehx n TYR 43 Cb 0.14 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 38.97 1ehx n TYR 43 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 1ehx s THR 44 N -0.63 0.78 0.85 -3.48 2.01 0.34 -4.85 115.64 110.66 1ehx s THR 44 Ca 0.00 -1.91 -0.11 0.00 0.31 0.00 0.00 61.69 59.98 1ehx s THR 44 Cb 0.00 -1.57 0.10 0.00 0.01 0.00 0.00 72.50 71.05 1ehx s THR 44 CO 0.00 -0.87 1.09 -1.59 -0.69 0.00 0.00 174.62 172.57 1ehx s LYS 45 N 0.98 1.59 -0.46 4.92 -2.85 -1.26 0.48 119.74 123.14 1ehx s LYS 45 Ca 0.15 1.00 0.03 0.00 -1.00 0.00 0.00 55.97 56.15 1ehx s LYS 45 Cb -0.22 -1.83 0.21 0.00 -2.06 0.00 0.00 37.83 33.93 1ehx s LYS 45 CO -0.07 -2.06 0.88 0.41 0.10 0.00 0.00 175.35 174.61 1ehx n GLY 46 N -1.05 -0.75 0.00 0.59 0.00 0.47 -4.83 105.19 99.62 1ehx n GLY 46 Ca 0.08 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1ehx n GLY 46 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ehx n THR 47 N 2.45 0.00 -0.13 2.61 5.66 -1.26 0.00 114.28 123.61 1ehx n THR 47 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 1ehx n THR 47 Cb 0.61 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.39 1ehx n THR 47 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1ehx n ASN 48 N 0.62 0.00 -3.95 1.09 3.02 -1.26 -4.98 115.26 109.80 1ehx n ASN 48 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 1ehx n ASN 48 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 1ehx n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1ehx s GLU 49 N -0.38 1.44 0.22 3.52 0.41 0.10 0.16 118.70 124.18 1ehx s GLU 49 Ca 0.00 -1.17 -0.19 0.00 -0.41 0.00 0.00 54.97 53.20 1ehx s GLU 49 Cb 0.00 0.46 0.03 0.00 -1.78 0.00 0.00 34.13 32.84 1ehx s GLU 49 CO 0.00 -0.59 0.59 0.08 -0.49 0.00 0.00 175.26 174.85 1ehx s VAL 50 N -3.99 0.01 -0.13 2.63 1.01 -0.55 0.18 120.40 119.56 1ehx s VAL 50 Ca 0.19 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 1ehx s VAL 50 Cb 0.00 -1.69 0.06 0.00 0.00 0.00 0.00 36.38 34.75 1ehx s VAL 50 CO 0.05 -0.06 0.17 -0.89 0.00 0.00 0.00 175.10 174.38 1ehx s THR 51 N -3.89 -0.27 0.25 3.92 2.01 0.18 0.21 115.64 118.06 1ehx s THR 51 Ca 0.10 0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 1ehx s THR 51 Cb -0.02 -0.44 -0.09 0.00 0.01 0.00 0.00 72.50 71.95 1ehx s THR 51 CO -0.00 -0.00 1.29 -0.76 -0.69 0.00 0.00 174.62 174.46 1ehx s LEU 52 N 2.29 4.43 -0.41 4.42 1.43 0.11 0.12 118.68 131.08 1ehx s LEU 52 Ca 0.04 2.50 -0.12 0.00 -1.03 0.00 0.00 54.13 55.51 1ehx s LEU 52 Cb -0.14 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.51 1ehx s LEU 52 CO -0.08 -0.50 0.28 -0.76 0.23 0.00 0.00 176.35 175.52 1ehx s LEU 53 N -0.81 5.09 0.28 1.79 1.43 -1.10 -0.81 118.68 124.55 1ehx s LEU 53 Ca 0.53 -1.17 0.03 0.00 -1.03 0.00 0.00 54.13 52.49 1ehx s LEU 53 Cb -0.37 -2.07 0.16 0.00 0.03 0.00 0.00 46.19 43.93 1ehx s LEU 53 CO 0.43 -0.49 0.85 0.00 0.23 0.00 0.00 176.35 177.37 1ehx n ALA 54 N 5.05 0.16 -0.04 4.21 0.00 -1.20 -0.16 120.51 128.53 1ehx n ALA 54 Ca -0.11 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 1ehx n ALA 54 Cb 0.45 -0.19 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 1ehx n ALA 54 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ehx h SER 55 N 0.00 0.29 0.29 0.00 0.02 -1.89 -0.52 113.55 111.73 1ehx h SER 55 Ca 0.00 -0.53 -0.01 0.00 -0.84 0.00 0.00 61.79 60.41 1ehx h SER 55 Cb 1.21 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1ehx h SER 55 CO 0.00 0.76 -0.14 0.22 -1.14 0.00 0.00 176.83 176.53 1ehx h TYR 56 N -0.18 -0.36 -0.96 3.45 5.03 -0.77 -2.56 116.97 120.61 1ehx h TYR 56 Ca 0.01 -0.01 0.24 0.00 2.58 0.00 0.00 58.73 61.55 1ehx h TYR 56 Cb 0.70 0.12 -0.12 0.00 1.55 0.00 0.00 36.73 38.97 1ehx h TYR 56 CO 0.10 -0.13 0.52 1.25 -1.32 0.00 0.00 178.16 178.58 1ehx h LEU 57 N -1.06 0.55 -1.50 2.82 5.85 -1.66 1.64 115.31 121.96 1ehx h LEU 57 Ca -0.04 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1ehx h LEU 57 Cb 0.39 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1ehx h LEU 57 CO 0.07 0.07 -0.26 -1.13 -0.34 0.00 0.00 178.44 176.84 1ehx h ASN 58 N 0.52 0.00 -0.30 1.25 -1.24 -1.13 -2.48 115.58 112.19 1ehx h ASN 58 Ca 0.61 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 57.47 1ehx h ASN 58 Cb 1.16 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.21 1ehx h ASN 58 CO -0.49 0.26 -0.39 0.74 -1.29 0.00 0.00 177.43 176.25 1ehx h THR 59 N 0.00 1.28 -0.83 -3.57 2.02 0.28 -3.37 112.91 108.71 1ehx h THR 59 Ca -0.00 -1.56 -0.56 0.00 0.77 0.00 0.00 66.41 65.05 1ehx h THR 59 Cb 0.50 1.42 0.09 0.00 -1.74 0.00 0.00 68.15 68.42 1ehx h THR 59 CO 0.03 0.52 -0.43 0.18 0.37 0.00 0.00 175.52 176.19 1ehx n LEU 60 N -4.05 -1.01 0.00 2.58 4.32 -0.37 -4.95 117.00 113.53 1ehx n LEU 60 Ca -0.02 0.94 0.00 0.00 -0.02 0.00 0.00 56.01 56.91 1ehx n LEU 60 Cb 0.54 -0.79 0.00 0.00 -1.62 0.00 0.00 43.42 41.55 1ehx n LEU 60 CO 0.48 -2.46 0.00 -2.65 -1.22 0.00 0.00 177.39 171.54 1ehx n PRO 61 N 0.85 1.18 0.00 3.23 -0.02 -1.26 -4.82 135.00 134.16 1ehx n PRO 61 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1ehx n PRO 61 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.68 1ehx n PRO 61 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ehx n GLU 62 N 0.00 0.58 -0.90 -0.52 0.00 -1.26 -4.16 120.64 114.38 1ehx n GLU 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1ehx n GLU 62 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 1ehx n GLU 62 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1ehx n ASN 63 N -0.88 -0.84 -4.93 -1.84 4.05 -0.93 -4.34 115.26 105.54 1ehx n ASN 63 Ca 0.00 -0.48 -0.25 0.00 0.45 0.00 0.00 54.58 54.30 1ehx n ASN 63 Cb 0.00 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.00 1ehx n ASN 63 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1ehx s THR 64 N 2.64 5.06 -0.83 -0.44 -4.23 0.24 -4.86 115.64 113.22 1ehx s THR 64 Ca 0.00 -0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.21 1ehx s THR 64 Cb 0.00 -3.86 0.26 0.00 1.34 0.00 0.00 72.50 70.24 1ehx s THR 64 CO 0.00 -0.60 0.96 0.41 -0.54 0.00 0.00 174.62 174.84 1ehx n THR 65 N -1.83 3.34 -1.51 3.99 -1.04 -1.25 -0.48 114.28 115.51 1ehx n THR 65 Ca -0.04 -5.39 -0.44 0.00 -2.04 0.00 0.00 64.05 56.15 1ehx n THR 65 Cb 0.56 -2.16 -0.06 0.00 -1.82 0.00 0.00 70.33 66.84 1ehx n THR 65 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1ehx n LYS 66 N 1.37 1.02 -3.55 -2.82 3.00 0.59 -4.59 118.16 113.19 1ehx n LYS 66 Ca 0.26 0.19 -0.41 0.00 -0.00 0.00 0.00 58.31 58.35 1ehx n LYS 66 Cb 0.37 -2.73 -0.11 0.00 0.00 0.00 0.00 35.03 32.56 1ehx n LYS 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1ehx s THR 67 N 9.27 5.03 -1.16 3.15 2.01 -1.26 0.20 115.64 132.88 1ehx s THR 67 Ca 1.09 -0.46 -0.09 0.00 0.31 0.00 0.00 61.69 62.54 1ehx s THR 67 Cb -0.63 -3.67 0.24 0.00 0.01 0.00 0.00 72.50 68.45 1ehx s THR 67 CO 0.40 -0.10 1.41 -0.11 -0.69 0.00 0.00 174.62 175.53 1ehx n LEU 68 N 5.08 5.84 -4.55 4.42 7.94 0.14 -4.49 117.00 131.38 1ehx n LEU 68 Ca -0.12 -4.86 -0.41 0.00 -1.11 0.00 0.00 56.01 49.50 1ehx n LEU 68 Cb 0.48 -1.47 -0.03 0.00 0.53 0.00 0.00 43.42 42.93 1ehx n LEU 68 CO 0.37 1.27 1.33 -0.89 -1.11 0.00 0.00 177.39 178.36 1ehx s THR 69 N -0.60 3.92 -0.42 1.96 2.01 -1.26 -0.02 115.64 121.23 1ehx s THR 69 Ca 0.36 -0.42 -0.28 0.00 0.31 0.00 0.00 61.69 61.65 1ehx s THR 69 Cb -0.02 -4.99 -0.01 0.00 0.01 0.00 0.00 72.50 67.50 1ehx s THR 69 CO -0.00 -1.87 1.73 -0.36 -0.69 0.00 0.00 174.62 173.43 1ehx s PHE 70 N 5.05 1.89 -0.86 4.92 0.40 -1.16 -3.87 117.98 124.36 1ehx s PHE 70 Ca 0.41 0.67 -0.25 0.00 -0.60 0.00 0.00 56.93 57.16 1ehx s PHE 70 Cb -0.03 -4.16 -0.05 0.00 0.51 0.00 0.00 43.02 39.29 1ehx s PHE 70 CO -0.01 -2.60 1.95 0.34 0.70 0.00 0.00 175.22 175.59 1ehx s ASP 71 N 6.13 5.12 -0.25 1.36 -1.08 -0.58 -4.40 116.67 122.98 1ehx s ASP 71 Ca 0.73 -0.51 0.06 0.00 -0.52 0.00 0.00 52.55 52.31 1ehx s ASP 71 Cb -0.18 -2.56 0.54 0.00 -1.46 0.00 0.00 42.92 39.26 1ehx s ASP 71 CO 0.30 -2.73 1.53 0.49 0.52 0.00 0.00 175.17 175.29 1ehx n PHE 72 N 13.94 1.86 0.00 -5.34 3.01 -1.26 0.19 117.46 129.86 1ehx n PHE 72 Ca 0.38 -1.00 0.00 0.00 1.01 0.00 0.00 57.45 57.84 1ehx n PHE 72 Cb 0.48 -0.58 0.00 0.00 -0.01 0.00 0.00 39.48 39.37 1ehx n PHE 72 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ehx n GLY 73 N -0.12 2.97 0.08 1.37 0.00 -1.26 -4.52 105.19 103.71 1ehx n GLY 73 Ca 0.32 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.19 1ehx n GLY 73 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ehx h VAL 74 N 0.00 1.26 0.00 1.61 -1.51 -1.91 -3.47 116.25 112.22 1ehx h VAL 74 Ca 0.00 -2.11 0.00 0.00 -1.23 0.00 0.00 66.70 63.36 1ehx h VAL 74 Cb 0.00 2.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 1ehx h VAL 74 CO 0.00 0.43 0.00 0.61 -1.23 0.00 0.00 177.57 177.38 1ehx n GLY 75 N 1.57 1.06 0.19 5.19 0.00 -1.26 -4.55 105.19 107.38 1ehx n GLY 75 Ca -0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 1ehx n GLY 75 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ehx h THR 76 N 0.00 0.00 -0.41 2.61 2.02 -2.00 -3.05 112.91 112.08 1ehx h THR 76 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1ehx h THR 76 Cb 0.00 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.36 1ehx h THR 76 CO 0.00 0.00 0.05 0.29 0.37 0.00 0.00 175.52 176.23 1ehx n LYS 77 N -3.71 3.11 -1.67 6.66 5.02 -1.26 -5.02 118.16 121.29 1ehx n LYS 77 Ca -0.02 -2.99 -0.45 0.00 -2.02 0.00 0.00 58.31 52.83 1ehx n LYS 77 Cb 0.15 -1.97 -0.03 0.00 -0.02 0.00 0.00 35.03 33.17 1ehx n LYS 77 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1ehx n ASN 78 N -0.43 2.76 -4.55 4.39 6.94 -1.15 -4.80 115.26 118.41 1ehx n ASN 78 Ca 0.28 1.14 -0.32 0.00 -0.02 0.00 0.00 54.58 55.66 1ehx n ASN 78 Cb 1.06 -1.42 -0.04 0.00 -2.36 0.00 0.00 39.78 37.02 1ehx n ASN 78 CO 0.00 0.00 0.00 -2.84 -1.03 0.00 0.00 177.26 173.39 1ehx s PRO 79 N -0.28 2.01 -0.27 -0.53 0.02 -1.26 -4.79 135.00 129.90 1ehx s PRO 79 Ca 0.69 1.25 -0.14 0.00 0.02 0.00 0.00 61.00 62.83 1ehx s PRO 79 Cb -0.66 -4.62 -0.04 0.00 0.02 0.00 0.00 34.50 29.20 1ehx s PRO 79 CO 0.49 -3.48 0.32 -1.59 -0.33 0.00 0.00 177.00 172.40 1ehx s LYS 80 N 8.38 3.99 -0.67 5.54 0.00 -1.26 -3.00 119.74 132.72 1ehx s LYS 80 Ca 0.97 -0.07 -0.27 0.00 0.00 0.00 0.00 55.97 56.60 1ehx s LYS 80 Cb -0.16 -3.66 0.03 0.00 0.00 0.00 0.00 37.83 34.04 1ehx s LYS 80 CO 0.23 -0.25 1.20 -1.17 0.00 0.00 0.00 175.35 175.35 1ehx s LEU 81 N 1.98 3.43 -0.13 2.77 0.20 0.97 -4.40 118.68 123.51 1ehx s LEU 81 Ca 0.13 -0.31 -0.29 0.00 0.69 0.00 0.00 54.13 54.34 1ehx s LEU 81 Cb -0.16 -2.76 -0.01 0.00 -0.43 0.00 0.00 46.19 42.83 1ehx s LEU 81 CO 0.10 -1.64 1.12 -0.89 -0.29 0.00 0.00 176.35 174.75 1ehx s THR 82 N 5.21 4.50 -0.04 3.68 2.01 -0.17 0.25 115.64 131.08 1ehx s THR 82 Ca 0.36 1.80 0.05 0.00 0.31 0.00 0.00 61.69 64.21 1ehx s THR 82 Cb -0.09 -4.16 -0.01 0.00 0.01 0.00 0.00 72.50 68.25 1ehx s THR 82 CO 0.18 -0.06 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.23 1ehx s ILE 83 N 2.59 1.58 -0.50 1.82 1.01 0.53 0.15 121.20 128.37 1ehx s ILE 83 Ca 0.51 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 1ehx s ILE 83 Cb -0.20 -1.35 0.13 0.00 0.01 0.00 0.00 42.46 41.05 1ehx s ILE 83 CO 0.16 0.45 0.32 -0.89 0.00 0.00 0.00 174.94 174.98 1ehx s THR 84 N -0.05 3.64 -0.15 2.92 2.01 0.19 0.22 115.64 124.42 1ehx s THR 84 Ca -0.03 -2.33 -0.19 0.00 0.31 0.00 0.00 61.69 59.45 1ehx s THR 84 Cb -0.12 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1ehx s THR 84 CO 0.02 -0.78 0.53 -0.69 -0.69 0.00 0.00 174.62 173.02 1ehx s VAL 85 N 0.75 5.12 0.38 3.82 1.01 0.37 -0.17 120.40 131.68 1ehx s VAL 85 Ca 0.11 1.03 0.01 0.00 0.00 0.00 0.00 61.98 63.13 1ehx s VAL 85 Cb -0.22 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1ehx s VAL 85 CO -0.04 0.24 0.59 -0.76 0.00 0.00 0.00 175.10 175.13 1ehx s LEU 86 N 1.18 3.88 0.13 3.92 1.43 -0.23 0.81 118.68 129.80 1ehx s LEU 86 Ca 0.27 0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.76 1ehx s LEU 86 Cb -0.16 -3.25 -0.12 0.00 0.03 0.00 0.00 46.19 42.70 1ehx s LEU 86 CO 0.11 -0.44 1.30 1.55 0.23 0.00 0.00 176.35 179.09 1ehx h PRO 87 N 0.63 0.17 -6.14 1.29 0.13 -1.76 0.58 132.00 126.89 1ehx h PRO 87 Ca -0.48 -0.23 -0.52 0.00 -0.87 0.00 0.00 66.00 63.90 1ehx h PRO 87 Cb 1.23 0.08 0.24 0.00 0.13 0.00 0.00 31.00 32.68 1ehx h PRO 87 CO 0.60 1.03 -1.96 1.63 -0.23 0.00 0.00 178.00 179.06 1ehx n LYS 88 N -3.55 -0.17 -3.58 0.86 5.02 -1.26 -4.74 118.16 110.74 1ehx n LYS 88 Ca -0.04 -0.04 -0.16 0.00 -2.02 0.00 0.00 58.31 56.05 1ehx n LYS 88 Cb 0.89 -1.15 -0.06 0.00 -0.02 0.00 0.00 35.03 34.69 1ehx n LYS 88 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ehx s ASP 89 N -1.18 -0.70 -0.72 4.39 -1.08 -1.26 -4.02 116.67 112.10 1ehx s ASP 89 Ca 0.42 1.08 0.04 0.00 -0.52 0.00 0.00 52.55 53.57 1ehx s ASP 89 Cb -0.08 1.00 0.20 0.00 -1.46 0.00 0.00 42.92 42.57 1ehx s ASP 89 CO 0.74 -0.43 0.62 -0.38 0.52 0.00 0.00 175.17 176.25 1ehx n ILE 90 N 1.79 2.08 -1.89 4.11 2.08 -1.26 -5.09 119.36 121.18 1ehx n ILE 90 Ca -0.16 -5.02 -0.33 0.00 0.56 0.00 0.00 62.75 57.79 1ehx n ILE 90 Cb 0.56 -2.18 0.03 0.00 -0.75 0.00 0.00 39.64 37.30 1ehx n ILE 90 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1ehx s PRO 91 N -1.79 2.96 -1.56 0.38 0.04 -1.26 -3.61 135.00 130.17 1ehx s PRO 91 Ca 0.30 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 1ehx s PRO 91 Cb 0.01 -1.97 0.09 0.00 0.04 0.00 0.00 34.50 32.67 1ehx s PRO 91 CO -0.12 -1.13 0.80 0.41 0.04 0.00 0.00 177.00 177.01 1ehx n GLY 92 N -0.42 -0.42 3.53 0.56 0.00 -1.26 -4.71 105.19 102.47 1ehx n GLY 92 Ca 0.10 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 46.05 1ehx n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ehx n LEU 93 N -4.50 0.54 0.00 0.99 4.77 -1.24 -5.34 117.00 112.22 1ehx n LEU 93 Ca -0.03 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1ehx n LEU 93 Cb 0.55 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 1ehx n LEU 93 CO 0.79 -1.79 0.13 -1.84 -1.33 0.00 0.00 177.39 173.35