#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ehx s GLN 2 N 0.00 3.30 -0.60 0.03 -1.52 -1.26 -5.02 119.66 114.58 1ehx s GLN 2 Ca 0.00 1.56 0.04 0.00 -1.95 0.00 0.00 55.36 55.01 1ehx s GLN 2 Cb 0.00 -2.00 0.16 0.00 -0.22 0.00 0.00 33.01 30.95 1ehx s GLN 2 CO 0.00 -0.88 0.41 -0.51 -0.25 0.00 0.00 175.29 174.06 1ehx s ASP 3 N -1.92 4.05 0.53 5.90 1.01 -1.26 -4.89 116.67 120.09 1ehx s ASP 3 Ca 0.72 -3.49 -0.17 0.00 0.71 0.00 0.00 52.55 50.31 1ehx s ASP 3 Cb -0.23 -1.36 -0.07 0.00 1.01 0.00 0.00 42.92 42.27 1ehx s ASP 3 CO 0.29 -0.14 1.02 -2.84 0.21 0.00 0.00 175.17 173.71 1ehx s PRO 4 N -0.86 3.72 0.06 8.23 0.02 -1.26 -4.83 135.00 140.07 1ehx s PRO 4 Ca 0.25 1.13 0.08 0.00 0.02 0.00 0.00 61.00 62.48 1ehx s PRO 4 Cb -0.08 -2.09 -0.03 0.00 0.02 0.00 0.00 34.50 32.32 1ehx s PRO 4 CO -0.13 -0.48 -0.21 0.99 -0.33 0.00 0.00 177.00 176.84 1ehx s THR 5 N -2.41 2.57 -0.01 0.99 2.01 -0.64 -4.46 115.64 113.70 1ehx s THR 5 Ca 0.62 -1.33 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 1ehx s THR 5 Cb -0.13 -2.08 0.00 0.00 0.01 0.00 0.00 72.50 70.30 1ehx s THR 5 CO 0.30 0.30 0.03 -0.51 -0.69 0.00 0.00 174.62 174.04 1ehx s ILE 6 N -0.93 0.01 0.00 1.82 1.10 -1.26 0.11 121.20 122.05 1ehx s ILE 6 Ca 0.14 -0.10 0.00 0.00 -0.51 0.00 0.00 60.65 60.19 1ehx s ILE 6 Cb -0.10 -0.08 0.00 0.00 0.15 0.00 0.00 42.46 42.43 1ehx s ILE 6 CO 0.05 -0.05 0.36 -0.46 -2.11 0.00 0.00 174.94 172.73 1ehx n ASN 7 N 2.90 0.00 -2.93 4.50 2.04 -1.16 -4.83 115.26 115.78 1ehx n ASN 7 Ca -0.13 0.36 -0.07 0.00 -0.44 0.00 0.00 54.58 54.30 1ehx n ASN 7 Cb 0.59 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 37.86 1ehx n ASN 7 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 1ehx n PRO 8 N -0.63 1.01 -0.20 -0.53 -0.04 -1.26 -5.05 135.00 128.30 1ehx n PRO 8 Ca 0.00 -1.03 0.00 0.00 -0.04 0.00 0.00 63.50 62.43 1ehx n PRO 8 Cb 0.00 -0.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.45 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 -1.22 0.00 -3.62 0.52 -1.04 -1.26 -4.60 114.28 103.05 1ehx n THR 9 Ca 0.03 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.94 1ehx n THR 9 Cb 0.19 0.29 -0.07 0.00 -1.82 0.00 0.00 70.33 68.93 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 -0.15 -0.45 -0.03 8.00 0.15 -1.26 -0.81 113.70 119.15 1ehx s SER 10 Ca 0.00 0.78 -0.30 0.00 0.70 0.00 0.00 55.95 57.13 1ehx s SER 10 Cb 0.00 0.76 0.11 0.00 -1.71 0.00 0.00 66.02 65.17 1ehx s SER 10 CO 0.00 -0.21 0.93 -0.51 1.20 0.00 0.00 173.24 174.65 1ehx s ILE 11 N -0.12 0.00 -0.19 6.45 2.07 -0.39 -4.87 121.20 124.15 1ehx s ILE 11 Ca 0.01 -0.01 -0.14 0.00 -1.41 0.00 0.00 60.65 59.10 1ehx s ILE 11 Cb -0.04 -1.01 0.05 0.00 0.13 0.00 0.00 42.46 41.59 1ehx s ILE 11 CO -0.04 0.00 0.48 -0.44 -1.91 0.00 0.00 174.94 173.03 1ehx s SER 12 N -2.45 -0.55 -0.02 4.50 0.01 -1.26 0.11 113.70 114.05 1ehx s SER 12 Ca 0.06 1.00 -0.30 0.00 1.31 0.00 0.00 55.95 58.02 1ehx s SER 12 Cb -0.01 0.95 0.11 0.00 0.21 0.00 0.00 66.02 67.28 1ehx s SER 12 CO -0.08 -0.18 1.09 0.00 0.41 0.00 0.00 173.24 174.47 1ehx s ALA 13 N 0.77 -1.95 0.53 1.44 0.00 -0.02 -4.94 121.76 117.59 1ehx s ALA 13 Ca -0.04 0.87 -0.20 0.00 0.00 0.00 0.00 51.96 52.59 1ehx s ALA 13 Cb -0.05 0.32 -0.06 0.00 0.00 0.00 0.00 23.12 23.32 1ehx s ALA 13 CO -0.06 -0.84 1.12 0.21 0.00 0.00 0.00 175.76 176.19 1ehx s LYS 14 N -2.80 3.45 -0.42 0.00 2.20 -1.25 -1.16 119.74 119.76 1ehx s LYS 14 Ca 0.10 1.60 -0.27 0.00 -0.36 0.00 0.00 55.97 57.04 1ehx s LYS 14 Cb 0.00 -2.06 -0.05 0.00 -1.51 0.00 0.00 37.83 34.22 1ehx s LYS 14 CO -0.04 -0.77 2.21 0.00 -0.36 0.00 0.00 175.35 176.39 1ehx s ALA 15 N -1.77 2.13 0.00 3.13 0.00 -1.08 -0.69 121.76 123.48 1ehx s ALA 15 Ca 0.71 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1ehx s ALA 15 Cb -0.23 -4.23 0.00 0.00 0.00 0.00 0.00 23.12 18.65 1ehx s ALA 15 CO 0.27 -3.74 0.00 0.41 0.00 0.00 0.00 175.76 172.70 1ehx n GLY 16 N 5.83 2.58 0.00 0.00 0.00 -1.26 -4.64 105.19 107.70 1ehx n GLY 16 Ca 0.31 -0.57 0.01 0.00 0.00 0.00 0.00 46.02 45.77 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 -4.37 1.61 3.41 0.13 -4.20 113.62 110.20 1ehx n SER 17 Ca 0.00 -0.81 -0.45 0.00 -0.26 0.00 0.00 58.87 57.35 1ehx n SER 17 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 1ehx n SER 17 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ehx s PHE 18 N -2.00 3.92 0.27 7.33 0.08 -1.26 -4.88 117.98 121.44 1ehx s PHE 18 Ca 0.04 -2.33 -0.29 0.00 0.12 0.00 0.00 56.93 54.46 1ehx s PHE 18 Cb 0.02 -3.97 -0.10 0.00 -0.57 0.00 0.00 43.02 38.40 1ehx s PHE 18 CO 0.03 -1.10 1.31 0.00 -0.10 0.00 0.00 175.22 175.36 1ehx s ALA 19 N -0.06 3.52 -0.05 5.36 0.00 -1.26 -3.31 121.76 125.96 1ehx s ALA 19 Ca 0.31 1.19 -0.30 0.00 0.00 0.00 0.00 51.96 53.16 1ehx s ALA 19 Cb -0.08 -3.48 -0.15 0.00 0.00 0.00 0.00 23.12 19.41 1ehx s ALA 19 CO -0.07 -0.58 0.83 -3.47 0.00 0.00 0.00 175.76 172.47 1ehx n ASP 20 N 1.71 0.10 -3.79 0.00 -0.08 -1.26 -4.73 116.55 108.50 1ehx n ASP 20 Ca 0.03 0.85 -0.16 0.00 -1.51 0.00 0.00 54.79 54.00 1ehx n ASP 20 Cb 0.42 -0.67 -0.16 0.00 2.34 0.00 0.00 41.12 43.05 1ehx n ASP 20 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1ehx s THR 21 N 0.27 0.03 -0.23 5.18 2.01 -0.31 -4.96 115.64 117.64 1ehx s THR 21 Ca 0.68 0.16 -0.20 0.00 0.31 0.00 0.00 61.69 62.63 1ehx s THR 21 Cb -0.95 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.39 1ehx s THR 21 CO 0.44 0.11 0.61 -1.59 -0.69 0.00 0.00 174.62 173.50 1ehx s LYS 22 N 1.01 4.15 0.25 4.92 0.00 -1.26 -0.06 119.74 128.74 1ehx s LYS 22 Ca -0.09 0.54 0.00 0.00 0.00 0.00 0.00 55.97 56.43 1ehx s LYS 22 Cb -0.13 -3.62 -0.04 0.00 0.00 0.00 0.00 37.83 34.05 1ehx s LYS 22 CO -0.02 -0.32 0.43 0.42 0.00 0.00 0.00 175.35 175.85 1ehx s ILE 23 N 2.21 5.18 -0.25 3.79 1.01 0.23 -4.89 121.20 128.46 1ehx s ILE 23 Ca 0.26 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 1ehx s ILE 23 Cb -0.16 -3.78 0.03 0.00 0.01 0.00 0.00 42.46 38.56 1ehx s ILE 23 CO 0.09 -0.29 -0.06 0.28 0.00 0.00 0.00 174.94 174.96 1ehx s THR 24 N -2.00 2.82 -0.46 2.92 -1.32 -1.26 -1.22 115.64 115.12 1ehx s THR 24 Ca 0.38 -1.11 -0.13 0.00 -1.21 0.00 0.00 61.69 59.62 1ehx s THR 24 Cb -0.10 -2.46 0.08 0.00 -1.51 0.00 0.00 72.50 68.50 1ehx s THR 24 CO 0.31 0.15 0.35 -0.76 -2.21 0.00 0.00 174.62 172.46 1ehx s LEU 25 N 1.30 5.48 -0.29 9.08 1.02 0.48 -3.01 118.68 132.74 1ehx s LEU 25 Ca -0.01 -1.42 -0.29 0.00 0.02 0.00 0.00 54.13 52.43 1ehx s LEU 25 Cb -0.17 -2.11 -0.02 0.00 0.02 0.00 0.00 46.19 43.91 1ehx s LEU 25 CO -0.04 -0.62 1.65 -0.89 0.02 0.00 0.00 176.35 176.48 1ehx s THR 26 N 1.56 3.64 -2.34 5.49 2.01 0.30 -4.20 115.64 122.10 1ehx s THR 26 Ca 0.04 0.69 0.22 0.00 0.31 0.00 0.00 61.69 62.94 1ehx s THR 26 Cb -0.24 -3.76 0.45 0.00 0.01 0.00 0.00 72.50 68.96 1ehx s THR 26 CO 0.05 -0.41 1.52 -0.81 -0.69 0.00 0.00 174.62 174.28 1ehx n PRO 27 N 8.02 1.87 -0.73 4.92 -0.04 -1.26 -1.62 135.00 146.16 1ehx n PRO 27 Ca 0.20 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 1ehx n PRO 27 Cb 0.46 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.54 -0.61 0.00 3.54 5.15 -1.26 0.31 115.26 122.93 1ehx n ASN 28 Ca 0.17 -0.43 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 1ehx n ASN 28 Cb 0.38 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.63 1ehx n ASN 28 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ehx n GLY 29 N 2.74 1.93 3.77 8.20 0.00 -1.26 -4.93 105.19 115.63 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 -0.65 5.07 0.21 1.61 0.01 0.90 -4.98 114.94 117.11 1ehx s ASN 30 Ca 0.00 -0.50 0.11 0.00 -0.71 0.00 0.00 52.86 51.76 1ehx s ASN 30 Cb 0.00 -1.05 -0.04 0.00 0.41 0.00 0.00 41.25 40.57 1ehx s ASN 30 CO 0.00 -0.14 -0.22 0.28 -1.51 0.00 0.00 177.10 175.50 1ehx s THR 31 N -2.27 2.28 -0.05 1.60 -1.32 -1.26 -4.16 115.64 110.46 1ehx s THR 31 Ca 0.35 -2.09 0.00 0.00 -1.21 0.00 0.00 61.69 58.74 1ehx s THR 31 Cb -0.06 -2.11 -0.03 0.00 -1.51 0.00 0.00 72.50 68.78 1ehx s THR 31 CO 0.24 -0.21 -0.03 0.12 -2.21 0.00 0.00 174.62 172.53 1ehx s PHE 32 N -1.91 3.04 -0.10 9.09 5.36 -1.26 -4.07 117.98 128.12 1ehx s PHE 32 Ca 0.22 0.09 -0.01 0.00 -0.96 0.00 0.00 56.93 56.27 1ehx s PHE 32 Cb -0.07 -1.72 -0.06 0.00 -0.34 0.00 0.00 43.02 40.83 1ehx s PHE 32 CO 0.10 0.41 -0.10 0.09 -1.46 0.00 0.00 175.22 174.26 1ehx n ASN 33 N 1.96 2.64 0.00 6.13 3.02 0.14 -4.99 115.26 124.17 1ehx n ASN 33 Ca -0.17 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1ehx n ASN 33 Cb 0.53 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 1ehx n ASN 33 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ehx n GLY 34 N 2.87 3.53 3.32 7.41 0.00 -1.24 -4.97 105.19 116.11 1ehx n GLY 34 Ca -0.18 -1.13 -0.46 0.00 0.00 0.00 0.00 46.02 44.25 1ehx n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ehx s ILE 35 N -2.00 5.20 0.21 -0.61 1.01 -1.26 -1.11 121.20 122.64 1ehx s ILE 35 Ca 0.00 -1.51 -0.09 0.00 0.00 0.00 0.00 60.65 59.05 1ehx s ILE 35 Cb 0.00 -4.36 0.16 0.00 0.01 0.00 0.00 42.46 38.27 1ehx s ILE 35 CO 0.00 -0.90 1.81 -1.28 0.00 0.00 0.00 174.94 174.57 1ehx h SER 36 N 8.86 1.01 -0.79 3.58 0.87 -1.98 -0.63 113.55 124.47 1ehx h SER 36 Ca -0.28 -0.13 0.23 0.00 -1.23 0.00 0.00 61.79 60.38 1ehx h SER 36 Cb 1.10 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.76 1ehx h SER 36 CO 1.03 0.86 0.85 -0.08 -0.53 0.00 0.00 176.83 178.96 1ehx h GLU 37 N 1.10 0.00 -2.63 2.24 4.22 -1.89 -2.58 114.58 115.03 1ehx h GLU 37 Ca 0.27 0.00 -0.59 0.00 0.08 0.00 0.00 59.36 59.12 1ehx h GLU 37 Cb 0.10 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 28.96 1ehx h GLU 37 CO -0.04 0.00 -0.85 -0.48 -2.18 0.00 0.00 179.01 175.46 1ehx s LEU 38 N -7.06 1.82 -0.40 1.64 0.05 -0.25 -5.04 118.68 109.44 1ehx s LEU 38 Ca -0.04 -2.75 -0.04 0.00 0.05 0.00 0.00 54.13 51.36 1ehx s LEU 38 Cb 0.16 -0.65 -0.14 0.00 -2.05 0.00 0.00 46.19 43.51 1ehx s LEU 38 CO 0.54 -0.23 1.01 0.00 -0.55 0.00 0.00 176.35 177.12 1ehx n GLN 39 N 3.31 0.00 0.00 1.48 6.02 -0.98 -4.28 117.38 122.94 1ehx n GLN 39 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 1ehx n GLN 39 Cb 0.40 -0.56 0.00 0.00 1.02 0.00 0.00 30.24 31.11 1ehx n GLN 39 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1ehx n SER 40 N 2.90 0.00 -0.15 1.08 3.41 -1.23 -0.87 113.62 118.77 1ehx n SER 40 Ca 0.27 0.00 0.29 0.00 -0.26 0.00 0.00 58.87 59.17 1ehx n SER 40 Cb 0.14 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 64.78 1ehx n SER 40 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ehx h SER 41 N 0.00 0.00 -0.57 4.04 0.87 -1.93 0.79 113.55 116.74 1ehx h SER 41 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.64 1ehx h SER 41 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1ehx h SER 41 CO 0.00 0.00 0.38 1.56 -0.53 0.00 0.00 176.83 178.24 1ehx h GLN 42 N 0.00 0.42 0.00 2.24 7.50 -1.19 -3.44 115.11 120.64 1ehx h GLN 42 Ca 0.42 -0.03 -0.12 0.00 0.50 0.00 0.00 58.65 59.42 1ehx h GLN 42 Cb 1.95 -0.10 -0.02 0.00 0.05 0.00 0.00 27.48 29.36 1ehx h GLN 42 CO -0.00 0.28 -0.09 2.48 -1.50 0.00 0.00 178.83 180.00 1ehx n TYR 43 N -4.47 0.18 -3.66 2.96 0.18 0.27 -3.12 117.16 109.51 1ehx n TYR 43 Ca 0.09 -0.46 -0.29 0.00 1.88 0.00 0.00 57.90 59.11 1ehx n TYR 43 Cb 0.32 -0.05 -0.13 0.00 -0.38 0.00 0.00 39.34 39.10 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 -1.42 1.04 0.88 -3.48 2.01 0.20 -4.94 115.64 109.94 1ehx s THR 44 Ca 0.01 -2.21 -0.11 0.00 0.31 0.00 0.00 61.69 59.68 1ehx s THR 44 Cb 0.00 -1.74 0.12 0.00 0.01 0.00 0.00 72.50 70.89 1ehx s THR 44 CO 0.00 -0.89 1.09 -1.59 -0.69 0.00 0.00 174.62 172.55 1ehx s LYS 45 N 0.68 1.39 -0.42 4.92 0.00 -1.26 -1.41 119.74 123.63 1ehx s LYS 45 Ca 0.17 0.98 0.02 0.00 0.00 0.00 0.00 55.97 57.13 1ehx s LYS 45 Cb -0.23 -1.81 0.19 0.00 0.00 0.00 0.00 37.83 35.98 1ehx s LYS 45 CO -0.02 -2.19 0.84 0.20 0.00 0.00 0.00 175.35 174.18 1ehx s GLY 46 N -3.31 -1.47 0.00 0.59 0.00 0.34 -4.87 107.32 98.61 1ehx s GLY 46 Ca 0.63 0.21 0.00 0.00 0.00 0.00 0.00 44.72 45.56 1ehx s GLY 46 CO 0.57 3.91 0.00 2.41 0.00 0.00 0.00 173.10 180.00 1ehx n THR 47 N 3.28 0.00 -0.07 0.90 -1.04 -1.26 -0.41 114.28 115.67 1ehx n THR 47 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1ehx n THR 47 Cb 0.59 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.10 1ehx n THR 47 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1ehx n ASN 48 N 0.65 0.00 -3.97 8.00 3.02 -1.26 -5.00 115.26 116.70 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 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.43 1.04 -0.29 3.52 2.02 0.45 0.18 118.70 125.19 1ehx s GLU 49 Ca 0.00 -1.17 -0.15 0.00 0.02 0.00 0.00 54.97 53.67 1ehx s GLU 49 Cb 0.00 0.34 0.11 0.00 0.10 0.00 0.00 34.13 34.68 1ehx s GLU 49 CO 0.00 -0.36 0.76 0.08 0.02 0.00 0.00 175.26 175.76 1ehx s VAL 50 N -3.96 -0.20 -0.12 2.63 1.01 -0.36 0.13 120.40 119.54 1ehx s VAL 50 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 1ehx s VAL 50 Cb 0.04 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1ehx s VAL 50 CO -0.02 0.00 -0.04 0.28 0.00 0.00 0.00 175.10 175.32 1ehx s THR 51 N 1.84 3.93 0.11 3.92 -1.32 -0.50 0.74 115.64 124.35 1ehx s THR 51 Ca -0.09 -0.37 -0.12 0.00 -1.21 0.00 0.00 61.69 59.91 1ehx s THR 51 Cb -0.06 -2.67 -0.06 0.00 -1.51 0.00 0.00 72.50 68.19 1ehx s THR 51 CO -0.19 0.55 0.47 -1.48 -2.21 0.00 0.00 174.62 171.76 1ehx s LEU 52 N -0.22 4.34 -0.19 9.08 -0.00 0.91 0.63 118.68 133.23 1ehx s LEU 52 Ca 0.04 0.93 -0.04 0.00 -0.00 0.00 0.00 54.13 55.06 1ehx s LEU 52 Cb -0.13 -3.12 -0.02 0.00 -0.00 0.00 0.00 46.19 42.93 1ehx s LEU 52 CO 0.02 0.14 -0.04 -0.76 -0.00 0.00 0.00 176.35 175.71 1ehx s LEU 53 N -1.94 3.01 0.00 1.48 1.43 -1.18 -1.16 118.68 120.32 1ehx s LEU 53 Ca 0.35 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1ehx s LEU 53 Cb -0.14 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1ehx s LEU 53 CO 0.19 0.06 0.64 0.00 0.23 0.00 0.00 176.35 177.47 1ehx n ALA 54 N 4.28 0.36 -0.06 4.21 0.00 -1.21 -0.67 120.51 127.41 1ehx n ALA 54 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.13 1ehx n ALA 54 Cb 0.52 -0.35 -0.07 0.00 0.00 0.00 0.00 19.45 19.55 1ehx n ALA 54 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ehx h SER 55 N 0.00 0.49 0.11 0.00 4.64 -1.91 0.88 113.55 117.76 1ehx h SER 55 Ca 0.00 -0.50 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 1ehx h SER 55 Cb 0.61 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1ehx h SER 55 CO 0.00 0.89 -0.05 0.22 -0.87 0.00 0.00 176.83 177.02 1ehx h TYR 56 N 0.10 -0.14 -0.97 4.77 3.20 -1.16 -3.09 116.97 119.69 1ehx h TYR 56 Ca 0.02 -0.00 0.23 0.00 3.14 0.00 0.00 58.73 62.12 1ehx h TYR 56 Cb 0.77 0.05 -0.12 0.00 1.54 0.00 0.00 36.73 38.96 1ehx h TYR 56 CO 0.09 0.15 0.55 1.25 -1.64 0.00 0.00 178.16 178.55 1ehx h LEU 57 N -1.00 0.60 -1.71 2.82 5.85 -1.65 1.14 115.31 121.37 1ehx h LEU 57 Ca -0.02 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1ehx h LEU 57 Cb 0.35 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1ehx h LEU 57 CO 0.02 0.10 -0.17 -1.13 -0.34 0.00 0.00 178.44 176.92 1ehx h ASN 58 N 0.55 0.00 1.06 1.25 -0.00 -0.90 -2.39 115.58 115.16 1ehx h ASN 58 Ca 0.62 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.77 1ehx h ASN 58 Cb 1.15 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.45 1ehx h ASN 58 CO -0.48 0.17 -0.99 0.74 -0.00 0.00 0.00 177.43 176.87 1ehx h THR 59 N 0.00 0.78 -1.76 -3.57 2.02 0.13 -3.39 112.91 107.12 1ehx h THR 59 Ca -0.00 -2.25 -0.49 0.00 0.77 0.00 0.00 66.41 64.44 1ehx h THR 59 Cb 0.42 2.29 0.20 0.00 -1.74 0.00 0.00 68.15 69.32 1ehx h THR 59 CO 0.02 0.45 -1.48 0.18 0.37 0.00 0.00 175.52 175.06 1ehx n LEU 60 N -3.08 -4.77 0.00 2.58 4.77 0.10 -4.93 117.00 111.67 1ehx n LEU 60 Ca -0.04 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1ehx n LEU 60 Cb 0.81 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1ehx n LEU 60 CO 0.42 -5.03 0.00 -2.65 -1.33 0.00 0.00 177.39 168.81 1ehx n PRO 61 N 1.97 -1.63 -0.07 3.23 -0.02 -1.26 -4.93 135.00 132.29 1ehx n PRO 61 Ca 0.01 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.47 1ehx n PRO 61 Cb 0.47 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.97 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 -1.75 -1.11 -0.92 -0.52 0.28 -1.26 -4.57 120.64 110.79 1ehx n GLU 62 Ca 0.00 -0.11 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1ehx n GLU 62 Cb 0.00 -0.10 0.00 0.00 1.43 0.00 0.00 31.44 32.77 1ehx n GLU 62 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1ehx n ASN 63 N -3.11 -0.86 -4.53 -1.84 6.94 -1.05 -4.55 115.26 106.26 1ehx n ASN 63 Ca 0.01 -0.49 -0.30 0.00 -0.02 0.00 0.00 54.58 53.78 1ehx n ASN 63 Cb 0.04 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.35 1ehx n ASN 63 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1ehx s THR 64 N 2.70 3.10 -1.26 5.53 -4.23 0.30 -4.91 115.64 116.87 1ehx s THR 64 Ca 0.00 -1.36 -0.15 0.00 -1.18 0.00 0.00 61.69 59.00 1ehx s THR 64 Cb 0.00 -2.43 0.13 0.00 1.34 0.00 0.00 72.50 71.54 1ehx s THR 64 CO 0.00 0.13 1.60 0.41 -0.54 0.00 0.00 174.62 176.22 1ehx n THR 65 N 0.82 4.11 -1.92 3.99 -1.04 -1.26 -0.22 114.28 118.77 1ehx n THR 65 Ca -0.15 -4.42 -0.43 0.00 -2.04 0.00 0.00 64.05 57.02 1ehx n THR 65 Cb 0.52 -2.42 -0.03 0.00 -1.82 0.00 0.00 70.33 66.59 1ehx n THR 65 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1ehx s LYS 66 N 2.58 3.83 -0.22 -2.82 2.47 0.60 -4.72 119.74 121.47 1ehx s LYS 66 Ca 0.47 2.02 -0.07 0.00 -1.56 0.00 0.00 55.97 56.83 1ehx s LYS 66 Cb 0.01 -4.11 -0.03 0.00 -1.46 0.00 0.00 37.83 32.24 1ehx s LYS 66 CO 0.03 -1.27 0.06 -0.08 0.16 0.00 0.00 175.35 174.25 1ehx s THR 67 N 5.34 4.50 -0.62 3.43 -1.32 -1.26 0.22 115.64 125.94 1ehx s THR 67 Ca 0.80 -0.12 -0.24 0.00 -1.21 0.00 0.00 61.69 60.92 1ehx s THR 67 Cb -0.32 -3.07 0.05 0.00 -1.51 0.00 0.00 72.50 67.66 1ehx s THR 67 CO 0.33 0.39 1.01 -0.22 -2.21 0.00 0.00 174.62 173.92 1ehx s LEU 68 N 1.06 4.04 -0.55 9.08 2.96 0.24 -4.85 118.68 130.65 1ehx s LEU 68 Ca 0.04 -0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 53.27 1ehx s LEU 68 Cb -0.14 -2.65 0.14 0.00 0.50 0.00 0.00 46.19 44.04 1ehx s LEU 68 CO 0.03 -1.41 0.43 -0.89 -1.32 0.00 0.00 176.35 173.19 1ehx s THR 69 N 4.31 4.41 -0.34 3.68 2.01 -1.26 -0.05 115.64 128.39 1ehx s THR 69 Ca 0.28 -2.05 -0.29 0.00 0.31 0.00 0.00 61.69 59.94 1ehx s THR 69 Cb -0.13 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.52 1ehx s THR 69 CO 0.15 -0.84 1.38 -0.36 -0.69 0.00 0.00 174.62 174.27 1ehx s PHE 70 N 0.98 2.50 -0.60 4.92 0.40 -1.16 -4.03 117.98 121.00 1ehx s PHE 70 Ca 0.09 0.75 -0.27 0.00 -0.60 0.00 0.00 56.93 56.91 1ehx s PHE 70 Cb -0.23 -4.08 -0.02 0.00 0.51 0.00 0.00 43.02 39.20 1ehx s PHE 70 CO -0.02 -1.96 1.88 0.34 0.70 0.00 0.00 175.22 176.15 1ehx s ASP 71 N 3.43 5.26 -0.32 1.36 2.15 -0.27 -4.37 116.67 123.91 1ehx s ASP 71 Ca 0.60 0.40 0.09 0.00 0.43 0.00 0.00 52.55 54.07 1ehx s ASP 71 Cb -0.16 -2.53 0.74 0.00 -0.30 0.00 0.00 42.92 40.66 1ehx s ASP 71 CO 0.28 -2.37 1.80 0.49 -0.17 0.00 0.00 175.17 175.19 1ehx n PHE 72 N 12.77 2.47 -0.04 -5.34 3.72 -1.26 0.24 117.46 130.02 1ehx n PHE 72 Ca 0.21 -1.20 0.00 0.00 -0.05 0.00 0.00 57.45 56.41 1ehx n PHE 72 Cb 0.52 -0.70 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 1ehx n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ehx n GLY 73 N -0.16 2.47 2.60 1.37 0.00 -1.26 -4.36 105.19 105.85 1ehx n GLY 73 Ca 0.41 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.29 1ehx n GLY 73 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ehx n VAL 74 N -2.00 1.39 -0.47 1.61 0.24 -1.26 -4.92 118.33 112.91 1ehx n VAL 74 Ca 0.00 -3.65 0.40 0.00 -2.04 0.00 0.00 64.34 59.05 1ehx n VAL 74 Cb 0.00 0.07 0.61 0.00 -1.47 0.00 0.00 33.84 33.06 1ehx n VAL 74 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ehx n GLY 75 N -0.18 -0.84 0.34 7.63 0.00 -1.26 -1.05 105.19 109.84 1ehx n GLY 75 Ca 0.18 0.52 0.17 0.00 0.00 0.00 0.00 46.02 46.89 1ehx n GLY 75 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ehx n THR 76 N -3.51 -0.42 -1.42 2.61 -1.04 -1.26 -2.62 114.28 106.63 1ehx n THR 76 Ca 0.33 2.16 0.00 0.00 -2.04 0.00 0.00 64.05 64.51 1ehx n THR 76 Cb 1.71 -3.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.01 1ehx n THR 76 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1ehx n LYS 77 N -5.45 0.00 -1.32 -2.82 5.02 -0.21 -5.11 118.16 108.26 1ehx n LYS 77 Ca 0.26 -0.69 -0.37 0.00 -2.02 0.00 0.00 58.31 55.49 1ehx n LYS 77 Cb 0.85 -0.49 0.05 0.00 -0.02 0.00 0.00 35.03 35.42 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 0.00 -1.63 -4.55 4.39 6.94 -0.46 -4.74 115.26 115.21 1ehx n ASN 78 Ca 0.00 0.63 -0.33 0.00 -0.02 0.00 0.00 54.58 54.86 1ehx n ASN 78 Cb 0.58 -1.14 -0.04 0.00 -2.36 0.00 0.00 39.78 36.82 1ehx n ASN 78 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1ehx s PRO 79 N -2.31 2.05 -0.07 -0.53 0.04 -1.26 -4.91 135.00 128.01 1ehx s PRO 79 Ca 0.64 1.22 0.04 0.00 0.04 0.00 0.00 61.00 62.94 1ehx s PRO 79 Cb -0.39 -4.61 -0.02 0.00 0.04 0.00 0.00 34.50 29.52 1ehx s PRO 79 CO 0.59 -3.43 -0.17 -1.59 0.04 0.00 0.00 177.00 172.43 1ehx s LYS 80 N 8.30 2.72 0.22 4.56 0.00 -1.26 -2.97 119.74 131.30 1ehx s LYS 80 Ca 0.95 -0.76 0.10 0.00 0.00 0.00 0.00 55.97 56.25 1ehx s LYS 80 Cb -0.16 -2.37 -0.04 0.00 0.00 0.00 0.00 37.83 35.26 1ehx s LYS 80 CO 0.23 0.45 -0.08 -0.48 0.00 0.00 0.00 175.35 175.47 1ehx s LEU 81 N -0.30 2.98 -0.48 2.77 0.05 0.93 -4.70 118.68 119.93 1ehx s LEU 81 Ca 0.02 -0.66 0.02 0.00 0.05 0.00 0.00 54.13 53.56 1ehx s LEU 81 Cb -0.13 -1.59 0.13 0.00 -2.05 0.00 0.00 46.19 42.55 1ehx s LEU 81 CO 0.03 0.06 0.23 0.28 -0.55 0.00 0.00 176.35 176.39 1ehx s THR 82 N -2.00 2.73 -0.27 5.48 -1.32 0.01 0.79 115.64 121.05 1ehx s THR 82 Ca 0.27 -2.91 -0.12 0.00 -1.21 0.00 0.00 61.69 57.73 1ehx s THR 82 Cb -0.08 -2.90 -0.05 0.00 -1.51 0.00 0.00 72.50 67.97 1ehx s THR 82 CO 0.16 -0.75 0.22 -0.51 -2.21 0.00 0.00 174.62 171.53 1ehx s ILE 83 N 0.18 5.29 -0.28 5.08 2.07 0.61 -1.26 121.20 132.89 1ehx s ILE 83 Ca 0.15 0.23 -0.15 0.00 -1.41 0.00 0.00 60.65 59.47 1ehx s ILE 83 Cb -0.23 -3.55 -0.03 0.00 0.13 0.00 0.00 42.46 38.77 1ehx s ILE 83 CO -0.03 0.24 0.37 -0.89 -1.91 0.00 0.00 174.94 172.72 1ehx s THR 84 N 1.75 5.18 -0.15 4.00 2.01 0.12 0.22 115.64 128.76 1ehx s THR 84 Ca 0.08 0.47 -0.05 0.00 0.31 0.00 0.00 61.69 62.51 1ehx s THR 84 Cb -0.16 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 1ehx s THR 84 CO 0.10 0.12 0.01 0.54 -0.69 0.00 0.00 174.62 174.70 1ehx s VAL 85 N 2.06 4.35 -0.32 3.82 0.11 0.70 -0.84 120.40 130.28 1ehx s VAL 85 Ca 0.14 -0.20 -0.02 0.00 -2.93 0.00 0.00 61.98 58.97 1ehx s VAL 85 Cb -0.16 -2.91 0.12 0.00 -1.53 0.00 0.00 36.38 31.90 1ehx s VAL 85 CO 0.10 0.51 0.18 -0.76 -3.33 0.00 0.00 175.10 171.80 1ehx s LEU 86 N 0.09 0.70 0.04 2.54 1.02 -0.31 -0.54 118.68 122.22 1ehx s LEU 86 Ca 0.02 -1.70 -0.18 0.00 0.02 0.00 0.00 54.13 52.29 1ehx s LEU 86 Cb -0.13 -0.32 -0.18 0.00 0.02 0.00 0.00 46.19 45.57 1ehx s LEU 86 CO 0.02 -0.37 1.22 1.55 0.02 0.00 0.00 176.35 178.78 1ehx h PRO 87 N 7.73 0.49 -7.28 1.29 0.13 -1.82 -2.87 132.00 129.67 1ehx h PRO 87 Ca -0.07 -0.41 -0.49 0.00 -0.87 0.00 0.00 66.00 64.16 1ehx h PRO 87 Cb 0.99 0.09 0.17 0.00 0.13 0.00 0.00 31.00 32.38 1ehx h PRO 87 CO 0.35 1.04 0.21 0.15 -0.23 0.00 0.00 178.00 179.52 1ehx s LYS 88 N -3.65 0.97 0.35 0.86 1.02 -1.26 -4.71 119.74 113.32 1ehx s LYS 88 Ca -0.13 1.12 0.08 0.00 0.02 0.00 0.00 55.97 57.07 1ehx s LYS 88 Cb 0.05 -1.75 -0.05 0.00 -0.52 0.00 0.00 37.83 35.56 1ehx s LYS 88 CO 0.82 -2.52 0.09 0.34 -0.92 0.00 0.00 175.35 173.16 1ehx s ASP 89 N -3.02 4.46 0.26 2.83 2.15 -1.26 -4.96 116.67 117.13 1ehx s ASP 89 Ca 0.65 -0.88 -0.29 0.00 0.43 0.00 0.00 52.55 52.45 1ehx s ASP 89 Cb -0.21 -0.63 -0.09 0.00 -0.30 0.00 0.00 42.92 41.69 1ehx s ASP 89 CO 0.58 -0.29 1.25 -0.63 -0.17 0.00 0.00 175.17 175.91 1ehx s ILE 90 N -2.48 3.13 0.19 4.11 1.09 -1.26 -4.98 121.20 121.00 1ehx s ILE 90 Ca 0.37 1.04 -0.30 0.00 -1.10 0.00 0.00 60.65 60.66 1ehx s ILE 90 Cb -0.01 -3.66 -0.09 0.00 -1.06 0.00 0.00 42.46 37.64 1ehx s ILE 90 CO 0.21 0.21 1.30 -2.16 -0.10 0.00 0.00 174.94 174.40 1ehx s PRO 91 N -1.02 4.40 -0.05 2.79 0.04 -1.26 -4.94 135.00 134.97 1ehx s PRO 91 Ca 0.51 2.03 0.17 0.00 0.04 0.00 0.00 61.00 63.75 1ehx s PRO 91 Cb -0.36 -3.20 -0.26 0.00 0.04 0.00 0.00 34.50 30.72 1ehx s PRO 91 CO 0.44 -0.24 0.32 0.41 0.04 0.00 0.00 177.00 177.97 1ehx n GLY 92 N 2.39 -0.79 3.15 0.56 0.00 -1.26 -4.95 105.19 104.29 1ehx n GLY 92 Ca 0.06 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.75 1ehx n GLY 92 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ehx s LEU 93 N -4.37 -0.30 0.00 0.99 2.34 -1.26 -5.36 118.68 110.72 1ehx s LEU 93 Ca -0.07 0.07 0.08 0.00 0.06 0.00 0.00 54.13 54.28 1ehx s LEU 93 Cb 0.10 1.21 0.51 0.00 -0.56 0.00 0.00 46.19 47.44 1ehx s LEU 93 CO 0.71 -0.06 0.96 1.21 -1.06 0.00 0.00 176.35 178.11