#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 2.04 -0.41 0.03 1.11 -1.26 -5.07 119.66 116.10 1ehx s GLN 2 Ca 0.00 -1.85 0.05 0.00 0.01 0.00 0.00 55.36 53.56 1ehx s GLN 2 Cb 0.00 -1.85 0.18 0.00 -1.01 0.00 0.00 33.01 30.33 1ehx s GLN 2 CO 0.00 0.07 0.37 -0.25 0.01 0.00 0.00 175.29 175.49 1ehx n ASP 3 N -0.97 -0.43 -4.89 5.90 9.92 -1.26 -5.05 116.55 119.76 1ehx n ASP 3 Ca -0.04 -2.42 -0.29 0.00 -0.53 0.00 0.00 54.79 51.51 1ehx n ASP 3 Cb 0.64 -0.54 -0.02 0.00 -0.64 0.00 0.00 41.12 40.56 1ehx n ASP 3 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1ehx s PRO 4 N -0.11 3.65 -0.19 -0.24 0.04 -1.26 -4.70 135.00 132.19 1ehx s PRO 4 Ca 0.33 0.31 -0.04 0.00 0.04 0.00 0.00 61.00 61.64 1ehx s PRO 4 Cb 0.06 -2.40 0.08 0.00 0.04 0.00 0.00 34.50 32.28 1ehx s PRO 4 CO -0.19 -0.11 0.18 0.99 0.04 0.00 0.00 177.00 177.92 1ehx s THR 5 N -2.54 -0.25 0.04 1.26 2.01 -0.67 -4.96 115.64 110.52 1ehx s THR 5 Ca 0.49 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.37 1ehx s THR 5 Cb -0.10 -0.64 -0.00 0.00 0.01 0.00 0.00 72.50 71.77 1ehx s THR 5 CO 0.38 -0.22 0.01 2.30 -0.69 0.00 0.00 174.62 176.40 1ehx n ILE 6 N 5.31 0.00 -0.72 1.82 -0.00 -1.26 0.76 119.36 125.27 1ehx n ILE 6 Ca -0.06 -0.21 -0.27 0.00 -0.00 0.00 0.00 62.75 62.21 1ehx n ILE 6 Cb 0.49 0.08 0.11 0.00 -0.00 0.00 0.00 39.64 40.32 1ehx n ILE 6 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 1ehx n ASN 7 N -2.08 -2.69 -3.38 7.28 0.23 -1.25 -4.97 115.26 108.40 1ehx n ASN 7 Ca -0.00 -0.16 0.00 0.00 -0.53 0.00 0.00 54.58 53.89 1ehx n ASN 7 Cb 0.05 -0.73 0.00 0.00 -2.08 0.00 0.00 39.78 37.02 1ehx n ASN 7 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 1ehx n PRO 8 N -0.38 1.75 0.00 -0.53 -0.02 -1.26 -5.02 135.00 129.54 1ehx n PRO 8 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1ehx n PRO 8 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1ehx n PRO 8 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1ehx n THR 9 N -0.50 0.00 -4.38 3.45 -1.04 -1.26 -4.70 114.28 105.85 1ehx n THR 9 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 1ehx n THR 9 Cb 0.00 1.46 -0.17 0.00 -1.82 0.00 0.00 70.33 69.81 1ehx n THR 9 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ehx s SER 10 N 0.00 1.52 -0.23 8.00 1.04 -1.26 -0.18 113.70 122.59 1ehx s SER 10 Ca 0.00 -0.24 -0.21 0.00 0.48 0.00 0.00 55.95 55.98 1ehx s SER 10 Cb 0.00 -0.69 0.06 0.00 0.10 0.00 0.00 66.02 65.49 1ehx s SER 10 CO 0.00 -0.01 0.60 -0.51 0.98 0.00 0.00 173.24 174.30 1ehx s ILE 11 N 0.85 -0.00 -0.09 -1.02 2.07 -0.09 -4.90 121.20 118.01 1ehx s ILE 11 Ca -0.12 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.05 1ehx s ILE 11 Cb -0.15 -0.84 0.03 0.00 0.13 0.00 0.00 42.46 41.63 1ehx s ILE 11 CO 0.01 0.00 0.24 -0.44 -1.91 0.00 0.00 174.94 172.85 1ehx s SER 12 N 0.32 -0.25 0.07 4.50 0.01 -1.26 -0.92 113.70 116.17 1ehx s SER 12 Ca -0.00 0.49 -0.28 0.00 1.31 0.00 0.00 55.95 57.48 1ehx s SER 12 Cb -0.04 0.47 0.09 0.00 0.21 0.00 0.00 66.02 66.75 1ehx s SER 12 CO 0.01 -0.10 1.12 0.00 0.41 0.00 0.00 173.24 174.67 1ehx s ALA 13 N 0.39 -1.93 0.18 1.44 0.00 -0.07 -4.90 121.76 116.87 1ehx s ALA 13 Ca -0.02 0.39 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 1ehx s ALA 13 Cb -0.04 0.51 -0.08 0.00 0.00 0.00 0.00 23.12 23.51 1ehx s ALA 13 CO -0.02 -1.05 1.30 0.21 0.00 0.00 0.00 175.76 176.20 1ehx s LYS 14 N -2.88 4.40 -0.55 0.00 2.20 -1.25 -1.44 119.74 120.22 1ehx s LYS 14 Ca 0.13 2.02 -0.27 0.00 -0.36 0.00 0.00 55.97 57.49 1ehx s LYS 14 Cb 0.02 -3.21 -0.10 0.00 -1.51 0.00 0.00 37.83 33.03 1ehx s LYS 14 CO -0.01 -0.25 2.44 0.00 -0.36 0.00 0.00 175.35 177.17 1ehx n ALA 15 N 2.77 0.79 0.00 3.13 0.00 -1.08 0.21 120.51 126.33 1ehx n ALA 15 Ca 0.06 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1ehx n ALA 15 Cb 0.43 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 16.87 1ehx n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ehx n GLY 16 N 6.10 3.86 0.05 0.00 0.00 -1.26 -4.38 105.19 109.56 1ehx n GLY 16 Ca 0.41 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.05 -4.38 1.61 3.41 0.13 -4.30 113.62 110.13 1ehx n SER 17 Ca 0.00 -1.01 -0.45 0.00 -0.26 0.00 0.00 58.87 57.15 1ehx n SER 17 Cb 0.00 -0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.91 3.94 0.70 7.33 0.08 -1.26 -4.90 117.98 121.97 1ehx s PHE 18 Ca 0.00 -2.41 -0.14 0.00 0.12 0.00 0.00 56.93 54.50 1ehx s PHE 18 Cb 0.00 -4.01 0.02 0.00 -0.57 0.00 0.00 43.02 38.46 1ehx s PHE 18 CO 0.00 -1.12 1.12 0.00 -0.10 0.00 0.00 175.22 175.11 1ehx s ALA 19 N -0.07 2.36 -0.37 5.36 0.00 -1.26 -3.20 121.76 124.58 1ehx s ALA 19 Ca 0.34 0.52 -0.33 0.00 0.00 0.00 0.00 51.96 52.49 1ehx s ALA 19 Cb -0.07 -3.33 -0.14 0.00 0.00 0.00 0.00 23.12 19.58 1ehx s ALA 19 CO -0.05 -1.48 1.40 -3.47 0.00 0.00 0.00 175.76 172.16 1ehx n ASP 20 N -2.73 0.70 -4.17 0.00 2.03 -1.26 -4.54 116.55 106.58 1ehx n ASP 20 Ca 0.10 0.66 -0.38 0.00 0.52 0.00 0.00 54.79 55.70 1ehx n ASP 20 Cb 0.52 -0.66 -0.11 0.00 -0.72 0.00 0.00 41.12 40.15 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 3.45 3.60 0.83 5.18 2.01 0.10 -4.90 115.64 125.91 1ehx s THR 21 Ca 0.84 -1.80 -0.11 0.00 0.31 0.00 0.00 61.69 60.93 1ehx s THR 21 Cb -1.10 -3.35 0.09 0.00 0.01 0.00 0.00 72.50 68.15 1ehx s THR 21 CO 0.54 -0.60 1.09 -0.54 -0.69 0.00 0.00 174.62 174.42 1ehx s LYS 22 N 1.25 1.80 -0.04 4.92 -0.14 -1.26 0.40 119.74 126.66 1ehx s LYS 22 Ca 0.05 1.03 -0.19 0.00 -1.36 0.00 0.00 55.97 55.50 1ehx s LYS 22 Cb -0.23 -1.85 0.04 0.00 -1.68 0.00 0.00 37.83 34.10 1ehx s LYS 22 CO -0.02 -1.92 0.42 0.42 -0.76 0.00 0.00 175.35 173.48 1ehx s ILE 23 N -2.91 0.04 -0.37 2.17 1.01 0.53 -4.83 121.20 116.84 1ehx s ILE 23 Ca 0.62 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.99 1ehx s ILE 23 Cb -0.18 -0.71 0.11 0.00 0.01 0.00 0.00 42.46 41.69 1ehx s ILE 23 CO 0.56 -0.17 0.12 -0.89 0.00 0.00 0.00 174.94 174.57 1ehx s THR 24 N -1.10 1.76 -0.68 2.92 2.01 -1.26 -1.36 115.64 117.92 1ehx s THR 24 Ca -0.11 -2.23 -0.26 0.00 0.31 0.00 0.00 61.69 59.40 1ehx s THR 24 Cb -0.04 -2.29 0.04 0.00 0.01 0.00 0.00 72.50 70.23 1ehx s THR 24 CO 0.05 -0.70 1.17 -0.76 -0.69 0.00 0.00 174.62 173.69 1ehx s LEU 25 N 0.86 3.56 -0.32 4.42 1.02 0.53 -3.97 118.68 124.79 1ehx s LEU 25 Ca 0.12 -0.49 -0.29 0.00 0.02 0.00 0.00 54.13 53.50 1ehx s LEU 25 Cb -0.20 -2.63 -0.01 0.00 0.02 0.00 0.00 46.19 43.36 1ehx s LEU 25 CO -0.11 -1.65 1.69 -0.89 0.02 0.00 0.00 176.35 175.41 1ehx s THR 26 N 5.09 3.60 -2.38 5.49 2.01 0.23 -4.32 115.64 125.36 1ehx s THR 26 Ca 0.33 0.62 0.23 0.00 0.31 0.00 0.00 61.69 63.18 1ehx s THR 26 Cb -0.10 -3.77 0.47 0.00 0.01 0.00 0.00 72.50 69.11 1ehx s THR 26 CO 0.16 -0.46 1.57 -0.81 -0.69 0.00 0.00 174.62 174.39 1ehx n PRO 27 N 8.22 1.80 -0.76 4.92 -0.04 -1.26 -1.67 135.00 146.21 1ehx n PRO 27 Ca 0.21 -1.20 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 1ehx n PRO 27 Cb 0.47 -1.43 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 0.43 -0.64 0.00 3.54 2.85 -1.26 0.37 115.26 120.54 1ehx n ASN 28 Ca 0.17 -0.44 0.00 0.00 -0.11 0.00 0.00 54.58 54.20 1ehx n ASN 28 Cb 0.37 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.39 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 2.83 1.43 3.95 8.20 0.00 -1.26 -4.67 105.19 115.67 1ehx n GLY 29 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.77 5.50 0.24 1.61 0.01 1.17 -4.89 114.94 117.81 1ehx s ASN 30 Ca 0.00 -0.49 0.04 0.00 -0.71 0.00 0.00 52.86 51.70 1ehx s ASN 30 Cb 0.00 -0.75 -0.05 0.00 0.41 0.00 0.00 41.25 40.86 1ehx s ASN 30 CO 0.00 -0.64 -0.01 0.28 -1.51 0.00 0.00 177.10 175.22 1ehx s THR 31 N -2.36 1.15 -0.04 1.60 -1.32 -1.26 -4.36 115.64 109.05 1ehx s THR 31 Ca 0.50 -2.05 0.04 0.00 -1.21 0.00 0.00 61.69 58.98 1ehx s THR 31 Cb -0.08 -2.39 -0.03 0.00 -1.51 0.00 0.00 72.50 68.50 1ehx s THR 31 CO 0.31 -0.30 -0.16 0.12 -2.21 0.00 0.00 174.62 172.37 1ehx s PHE 32 N -3.34 2.64 -0.07 9.09 5.36 -1.26 -4.06 117.98 126.34 1ehx s PHE 32 Ca 0.29 -0.20 0.02 0.00 -0.96 0.00 0.00 56.93 56.08 1ehx s PHE 32 Cb 0.05 -1.60 -0.06 0.00 -0.34 0.00 0.00 43.02 41.08 1ehx s PHE 32 CO 0.10 0.16 -0.05 -1.71 -1.46 0.00 0.00 175.22 172.26 1ehx n ASN 33 N 2.27 3.44 0.00 6.13 2.85 0.17 -4.97 115.26 125.16 1ehx n ASN 33 Ca -0.17 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.27 1ehx n ASN 33 Cb 0.52 0.06 0.00 0.00 1.24 0.00 0.00 39.78 41.60 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 3.02 4.26 3.36 8.20 0.00 -1.25 -4.92 105.19 117.86 1ehx n GLY 34 Ca -0.13 -1.46 -0.45 0.00 0.00 0.00 0.00 46.02 43.98 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 5.06 0.31 -0.61 -1.09 -1.26 -1.08 121.20 120.54 1ehx s ILE 35 Ca 0.00 -1.48 -0.01 0.00 -2.23 0.00 0.00 60.65 56.93 1ehx s ILE 35 Cb 0.00 -4.49 0.26 0.00 -1.58 0.00 0.00 42.46 36.65 1ehx s ILE 35 CO 0.00 -1.10 1.98 0.28 -1.23 0.00 0.00 174.94 174.87 1ehx h SER 36 N 8.78 0.88 -0.35 3.58 0.02 -1.96 0.09 113.55 124.59 1ehx h SER 36 Ca -0.16 -0.02 0.10 0.00 -0.84 0.00 0.00 61.79 60.87 1ehx h SER 36 Cb 1.07 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1ehx h SER 36 CO 1.01 0.64 0.37 1.05 -1.14 0.00 0.00 176.83 178.77 1ehx h GLU 37 N 1.04 0.00 -2.32 3.45 9.09 -1.85 -3.14 114.58 120.85 1ehx h GLU 37 Ca 0.28 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 59.13 1ehx h GLU 37 Cb -0.11 0.00 -0.37 0.00 -1.65 0.00 0.00 28.75 26.62 1ehx h GLU 37 CO -0.06 0.00 -0.94 -0.48 0.05 0.00 0.00 179.01 177.58 1ehx s LEU 38 N -7.53 1.20 -0.61 3.06 0.05 -0.00 -4.93 118.68 109.92 1ehx s LEU 38 Ca -0.04 -2.90 -0.11 0.00 0.05 0.00 0.00 54.13 51.13 1ehx s LEU 38 Cb 0.16 -0.31 -0.18 0.00 -2.05 0.00 0.00 46.19 43.81 1ehx s LEU 38 CO 0.55 -0.18 1.45 0.00 -0.55 0.00 0.00 176.35 177.62 1ehx n GLN 39 N 2.99 0.00 0.00 1.48 0.00 -1.09 -4.14 117.38 116.62 1ehx n GLN 39 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.27 1ehx n GLN 39 Cb 0.47 -0.73 0.00 0.00 0.00 0.00 0.00 30.24 29.98 1ehx n GLN 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1ehx n SER 40 N 4.56 0.00 0.06 2.61 2.88 -1.24 -0.91 113.62 121.58 1ehx n SER 40 Ca 0.41 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 58.16 1ehx n SER 40 Cb 0.06 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.19 1ehx n SER 40 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ehx h SER 41 N 0.00 0.00 0.10 -3.46 0.02 -1.94 0.77 113.55 109.04 1ehx h SER 41 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1ehx h SER 41 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1ehx h SER 41 CO 0.00 0.00 -0.14 1.56 -1.14 0.00 0.00 176.83 177.11 1ehx h GLN 42 N 0.00 0.10 0.00 3.45 1.08 -1.18 -3.45 115.11 115.11 1ehx h GLN 42 Ca 0.23 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1ehx h GLN 42 Cb 1.45 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.86 1ehx h GLN 42 CO -0.00 0.25 0.00 2.48 -0.95 0.00 0.00 178.83 180.60 1ehx n TYR 43 N -4.32 0.00 -3.78 2.96 0.18 0.27 -3.10 117.16 109.36 1ehx n TYR 43 Ca -0.02 0.00 -0.30 0.00 1.88 0.00 0.00 57.90 59.47 1ehx n TYR 43 Cb 0.24 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.07 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 -1.12 1.77 0.74 -3.48 2.01 0.41 -4.86 115.64 111.11 1ehx s THR 44 Ca 0.00 -2.81 -0.12 0.00 0.31 0.00 0.00 61.69 59.07 1ehx s THR 44 Cb 0.00 -2.23 0.04 0.00 0.01 0.00 0.00 72.50 70.32 1ehx s THR 44 CO 0.00 -0.87 1.11 -1.59 -0.69 0.00 0.00 174.62 172.58 1ehx s LYS 45 N 0.14 2.36 -0.46 4.92 0.00 -1.26 0.11 119.74 125.54 1ehx s LYS 45 Ca 0.18 1.31 0.03 0.00 0.00 0.00 0.00 55.97 57.49 1ehx s LYS 45 Cb -0.24 -1.90 0.20 0.00 0.00 0.00 0.00 37.83 35.89 1ehx s LYS 45 CO -0.00 -1.58 0.86 0.41 0.00 0.00 0.00 175.35 175.04 1ehx n GLY 46 N -0.76 -0.86 0.00 0.59 0.00 0.36 -4.85 105.19 99.68 1ehx n GLY 46 Ca 0.10 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 2.67 0.00 -0.42 2.61 5.66 -1.26 0.04 114.28 123.59 1ehx n THR 47 Ca 0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 1ehx n THR 47 Cb 0.60 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 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 0.75 0.00 -4.06 1.09 3.02 -1.26 -4.99 115.26 109.81 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 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 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 -0.21 0.90 0.02 3.52 2.02 0.11 0.20 118.70 125.26 1ehx s GLU 49 Ca 0.00 -1.28 -0.24 0.00 0.02 0.00 0.00 54.97 53.47 1ehx s GLU 49 Cb 0.00 0.28 0.06 0.00 0.10 0.00 0.00 34.13 34.56 1ehx s GLU 49 CO 0.00 -0.27 0.56 0.08 0.02 0.00 0.00 175.26 175.65 1ehx s VAL 50 N -3.98 0.02 -0.12 2.63 1.01 -0.47 0.14 120.40 119.63 1ehx s VAL 50 Ca 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 1ehx s VAL 50 Cb 0.06 -0.95 0.04 0.00 0.00 0.00 0.00 36.38 35.53 1ehx s VAL 50 CO -0.03 -0.09 0.04 -0.89 0.00 0.00 0.00 175.10 174.13 1ehx s THR 51 N -2.06 0.19 0.19 3.92 2.01 0.12 0.20 115.64 120.20 1ehx s THR 51 Ca -0.07 -0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 1ehx s THR 51 Cb -0.01 -0.57 -0.09 0.00 0.01 0.00 0.00 72.50 71.84 1ehx s THR 51 CO 0.02 0.01 1.34 -0.76 -0.69 0.00 0.00 174.62 174.53 1ehx s LEU 52 N 2.03 4.40 -0.39 4.42 1.02 0.16 0.16 118.68 130.48 1ehx s LEU 52 Ca 0.03 2.41 -0.10 0.00 0.02 0.00 0.00 54.13 56.48 1ehx s LEU 52 Cb -0.14 -3.61 0.04 0.00 0.02 0.00 0.00 46.19 42.51 1ehx s LEU 52 CO -0.06 -0.57 0.22 -0.76 0.02 0.00 0.00 176.35 175.21 1ehx s LEU 53 N 0.09 4.86 0.52 1.79 1.43 -1.18 -0.72 118.68 125.47 1ehx s LEU 53 Ca 0.58 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1ehx s LEU 53 Cb -0.37 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 43.84 1ehx s LEU 53 CO 0.37 -0.44 0.86 0.00 0.23 0.00 0.00 176.35 177.38 1ehx n ALA 54 N 4.98 0.00 -0.06 4.21 0.00 -1.19 0.99 120.51 129.44 1ehx n ALA 54 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.19 1ehx n ALA 54 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 1ehx n ALA 54 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ehx h SER 55 N 0.00 0.45 0.53 0.00 0.87 -1.91 0.40 113.55 113.89 1ehx h SER 55 Ca 0.00 -0.51 -0.03 0.00 -1.23 0.00 0.00 61.79 60.03 1ehx h SER 55 Cb 1.72 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 63.56 1ehx h SER 55 CO 0.00 0.87 -0.25 0.22 -0.53 0.00 0.00 176.83 177.14 1ehx h TYR 56 N 0.05 -0.66 -0.81 2.24 3.20 0.41 -2.49 116.97 118.92 1ehx h TYR 56 Ca 0.02 -0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.06 1ehx h TYR 56 Cb 0.76 0.22 -0.11 0.00 1.54 0.00 0.00 36.73 39.13 1ehx h TYR 56 CO 0.09 -0.41 0.27 1.25 -1.64 0.00 0.00 178.16 177.72 1ehx h LEU 57 N -1.09 0.16 -2.15 2.82 5.85 -1.63 0.91 115.31 120.18 1ehx h LEU 57 Ca -0.07 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1ehx h LEU 57 Cb 0.54 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1ehx h LEU 57 CO 0.12 -0.01 -0.01 -1.13 -0.34 0.00 0.00 178.44 177.07 1ehx h ASN 58 N 0.34 0.00 0.24 1.25 -1.24 -0.93 -2.46 115.58 112.78 1ehx h ASN 58 Ca 0.47 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.48 1ehx h ASN 58 Cb 0.84 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.89 1ehx h ASN 58 CO -0.51 0.01 -1.68 0.41 -1.29 0.00 0.00 177.43 174.36 1ehx n THR 59 N -3.11 0.14 -1.06 -3.57 -1.04 0.28 -4.41 114.28 101.52 1ehx n THR 59 Ca -0.01 -0.47 -0.35 0.00 -2.04 0.00 0.00 64.05 61.18 1ehx n THR 59 Cb 0.20 -0.01 0.08 0.00 -1.82 0.00 0.00 70.33 68.78 1ehx n THR 59 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ehx n LEU 60 N -2.30 -0.52 0.00 -4.42 4.77 0.78 -4.93 117.00 110.38 1ehx n LEU 60 Ca -0.02 0.45 -0.10 0.00 -0.03 0.00 0.00 56.01 56.31 1ehx n LEU 60 Cb 0.55 -1.15 0.09 0.00 -2.33 0.00 0.00 43.42 40.58 1ehx n LEU 60 CO 0.44 -3.71 0.11 -2.65 -1.33 0.00 0.00 177.39 170.25 1ehx n PRO 61 N -0.64 -0.59 0.00 3.23 -0.02 -1.26 -4.96 135.00 130.76 1ehx n PRO 61 Ca 0.07 -0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.09 1ehx n PRO 61 Cb 0.52 -1.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 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 -0.72 -0.35 -0.96 -0.52 0.28 -1.26 -4.54 120.64 112.58 1ehx n GLU 62 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 1ehx n GLU 62 Cb 0.19 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.06 1ehx n GLU 62 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1ehx n ASN 63 N -1.92 -0.99 -4.22 -1.84 3.02 -0.55 -4.52 115.26 104.24 1ehx n ASN 63 Ca 0.00 -0.51 -0.25 0.00 -0.03 0.00 0.00 54.58 53.79 1ehx n ASN 63 Cb 0.00 -0.02 -0.15 0.00 -0.61 0.00 0.00 39.78 39.00 1ehx n ASN 63 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ehx s THR 64 N 2.76 1.55 -1.28 3.41 -4.23 -0.11 -4.91 115.64 112.84 1ehx s THR 64 Ca 0.00 -1.03 -0.12 0.00 -1.18 0.00 0.00 61.69 59.37 1ehx s THR 64 Cb 0.00 -1.33 0.15 0.00 1.34 0.00 0.00 72.50 72.66 1ehx s THR 64 CO 0.00 0.28 1.77 1.07 -0.54 0.00 0.00 174.62 177.19 1ehx n THR 65 N 2.16 4.20 -1.98 3.99 5.66 -1.26 0.24 114.28 127.30 1ehx n THR 65 Ca -0.16 -4.35 -0.43 0.00 -3.05 0.00 0.00 64.05 56.06 1ehx n THR 65 Cb 0.53 -2.41 -0.03 0.00 -1.55 0.00 0.00 70.33 66.87 1ehx n THR 65 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1ehx s LYS 66 N 1.28 3.79 0.16 1.09 2.36 0.63 -4.56 119.74 124.49 1ehx s LYS 66 Ca 0.42 1.89 -0.07 0.00 -2.55 0.00 0.00 55.97 55.66 1ehx s LYS 66 Cb 0.06 -4.09 -0.06 0.00 -1.05 0.00 0.00 37.83 32.68 1ehx s LYS 66 CO -0.00 -1.31 0.44 0.99 1.55 0.00 0.00 175.35 177.01 1ehx s THR 67 N 5.41 5.07 -0.66 3.43 2.01 -1.25 0.14 115.64 129.78 1ehx s THR 67 Ca 0.78 0.25 0.04 0.00 0.31 0.00 0.00 61.69 63.07 1ehx s THR 67 Cb -0.29 -3.63 0.16 0.00 0.01 0.00 0.00 72.50 68.75 1ehx s THR 67 CO 0.32 0.05 0.44 -0.22 -0.69 0.00 0.00 174.62 174.51 1ehx s LEU 68 N -2.58 4.73 -0.27 4.42 0.20 0.33 -4.53 118.68 120.99 1ehx s LEU 68 Ca 0.42 -3.59 -0.17 0.00 0.69 0.00 0.00 54.13 51.48 1ehx s LEU 68 Cb -0.12 -1.66 -0.03 0.00 -0.43 0.00 0.00 46.19 43.95 1ehx s LEU 68 CO 0.22 -0.14 0.47 -0.89 -0.29 0.00 0.00 176.35 175.73 1ehx s THR 69 N -1.09 5.10 -0.32 3.68 2.01 -1.26 -1.17 115.64 122.58 1ehx s THR 69 Ca 0.23 0.76 -0.29 0.00 0.31 0.00 0.00 61.69 62.69 1ehx s THR 69 Cb -0.11 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.61 1ehx s THR 69 CO -0.11 0.09 1.13 -0.36 -0.69 0.00 0.00 174.62 174.67 1ehx s PHE 70 N 2.25 3.02 -1.04 4.92 0.40 -1.17 -3.99 117.98 122.38 1ehx s PHE 70 Ca 0.19 1.09 -0.24 0.00 -0.60 0.00 0.00 56.93 57.37 1ehx s PHE 70 Cb -0.16 -3.78 -0.08 0.00 0.51 0.00 0.00 43.02 39.51 1ehx s PHE 70 CO 0.10 -1.02 1.98 0.34 0.70 0.00 0.00 175.22 177.31 1ehx s ASP 71 N 1.95 4.90 -0.19 1.36 -1.08 -0.24 -4.63 116.67 118.74 1ehx s ASP 71 Ca 0.48 -1.10 0.08 0.00 -0.52 0.00 0.00 52.55 51.49 1ehx s ASP 71 Cb -0.13 -2.58 0.54 0.00 -1.46 0.00 0.00 42.92 39.30 1ehx s ASP 71 CO 0.18 -3.10 1.40 0.49 0.52 0.00 0.00 175.17 174.66 1ehx n PHE 72 N 14.83 1.55 -0.95 -5.34 3.01 -1.26 0.45 117.46 129.76 1ehx n PHE 72 Ca 0.43 -0.67 0.00 0.00 1.01 0.00 0.00 57.45 58.22 1ehx n PHE 72 Cb 0.47 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 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 0.23 0.01 0.11 1.37 0.00 -1.26 -4.40 105.19 101.25 1ehx n GLY 73 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.01 1.29 0.00 1.61 0.24 -1.26 -4.98 118.33 113.21 1ehx n VAL 74 Ca 0.00 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 1ehx n VAL 74 Cb 0.44 -1.07 0.00 0.00 -1.47 0.00 0.00 33.84 31.74 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 2.25 0.36 0.26 7.63 0.00 -1.26 -4.06 105.19 110.37 1ehx n GLY 75 Ca -0.37 0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.36 2.61 2.02 -2.01 -0.95 112.91 114.23 1ehx h THR 76 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ehx h THR 76 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1ehx h THR 76 CO 0.00 0.00 0.00 2.29 0.37 0.00 0.00 175.52 178.18 1ehx n LYS 77 N -4.22 2.32 -2.06 6.66 0.00 -1.26 -4.90 118.16 114.71 1ehx n LYS 77 Ca -0.03 -1.49 -0.43 0.00 -0.00 0.00 0.00 58.31 56.37 1ehx n LYS 77 Cb 0.20 -1.52 -0.03 0.00 -0.00 0.00 0.00 35.03 33.68 1ehx n LYS 77 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1ehx s ASN 78 N -0.78 6.32 -0.65 -5.58 3.84 -0.36 -4.89 114.94 112.84 1ehx s ASN 78 Ca 0.27 1.68 -0.26 0.00 0.21 0.00 0.00 52.86 54.76 1ehx s ASN 78 Cb 0.17 -2.53 -0.12 0.00 -0.55 0.00 0.00 41.25 38.22 1ehx s ASN 78 CO 0.14 -1.30 2.46 -0.81 -2.79 0.00 0.00 177.10 174.81 1ehx n PRO 79 N 7.73 0.73 -3.22 0.43 -0.04 -1.26 -4.86 135.00 134.51 1ehx n PRO 79 Ca 0.19 -0.13 -0.44 0.00 -0.04 0.00 0.00 63.50 63.09 1ehx n PRO 79 Cb 0.45 -3.02 -0.06 0.00 -0.04 0.00 0.00 33.50 30.83 1ehx n PRO 79 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ehx s LYS 80 N 8.47 3.06 0.50 0.54 1.02 -1.26 -3.02 119.74 129.04 1ehx s LYS 80 Ca 1.06 -1.16 -0.21 0.00 0.02 0.00 0.00 55.97 55.68 1ehx s LYS 80 Cb -0.40 -4.16 -0.07 0.00 -0.52 0.00 0.00 37.83 32.68 1ehx s LYS 80 CO 0.29 -1.24 1.11 -0.51 -0.92 0.00 0.00 175.35 174.08 1ehx s LEU 81 N 2.28 3.86 -0.40 3.17 2.01 -0.32 -4.78 118.68 124.50 1ehx s LEU 81 Ca 0.10 2.13 0.03 0.00 0.01 0.00 0.00 54.13 56.41 1ehx s LEU 81 Cb -0.22 -4.47 0.11 0.00 0.01 0.00 0.00 46.19 41.62 1ehx s LEU 81 CO 0.09 -0.99 0.14 -0.89 1.01 0.00 0.00 176.35 175.71 1ehx s THR 82 N -1.76 2.06 -0.29 5.49 2.01 0.74 0.12 115.64 124.01 1ehx s THR 82 Ca 0.68 -2.53 -0.14 0.00 0.31 0.00 0.00 61.69 60.01 1ehx s THR 82 Cb -0.23 -2.49 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 1ehx s THR 82 CO 0.27 -0.71 0.32 -0.63 -0.69 0.00 0.00 174.62 173.18 1ehx s ILE 83 N 0.58 5.21 -0.51 1.82 1.01 0.37 -0.91 121.20 128.77 1ehx s ILE 83 Ca 0.13 0.32 -0.19 0.00 0.00 0.00 0.00 60.65 60.91 1ehx s ILE 83 Cb -0.22 -3.68 0.06 0.00 0.01 0.00 0.00 42.46 38.63 1ehx s ILE 83 CO -0.07 0.12 0.65 -0.89 0.00 0.00 0.00 174.94 174.75 1ehx s THR 84 N 1.97 4.84 -0.48 2.92 2.01 -0.10 0.23 115.64 127.03 1ehx s THR 84 Ca 0.12 -0.43 -0.19 0.00 0.31 0.00 0.00 61.69 61.51 1ehx s THR 84 Cb -0.16 -4.31 0.05 0.00 0.01 0.00 0.00 72.50 68.09 1ehx s THR 84 CO 0.11 -0.82 0.57 0.68 -0.69 0.00 0.00 174.62 174.46 1ehx s VAL 85 N 2.72 4.95 -0.58 3.82 -7.23 0.14 -0.90 120.40 123.32 1ehx s VAL 85 Ca 0.16 -0.47 0.04 0.00 -1.81 0.00 0.00 61.98 59.90 1ehx s VAL 85 Cb -0.19 -4.22 0.15 0.00 0.56 0.00 0.00 36.38 32.68 1ehx s VAL 85 CO 0.13 -0.69 0.38 -1.48 -0.31 0.00 0.00 175.10 173.12 1ehx s LEU 86 N 2.45 3.92 0.30 1.32 0.05 -0.52 -0.93 118.68 125.27 1ehx s LEU 86 Ca 0.14 -3.35 0.15 0.00 0.05 0.00 0.00 54.13 51.12 1ehx s LEU 86 Cb -0.19 -1.39 0.36 0.00 -2.05 0.00 0.00 46.19 42.92 1ehx s LEU 86 CO 0.12 -0.16 1.58 1.55 -0.55 0.00 0.00 176.35 178.89 1ehx h PRO 87 N 5.92 0.00 -6.40 1.48 0.13 -1.84 -2.85 132.00 128.43 1ehx h PRO 87 Ca 0.08 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.60 1ehx h PRO 87 Cb 0.83 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.08 1ehx h PRO 87 CO 0.63 0.53 -0.01 1.63 -0.23 0.00 0.00 178.00 180.55 1ehx n LYS 88 N -3.47 1.09 0.00 0.86 4.76 -1.26 -4.81 118.16 115.32 1ehx n LYS 88 Ca 0.00 0.38 0.00 0.00 -2.87 0.00 0.00 58.31 55.83 1ehx n LYS 88 Cb 0.64 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 1ehx n LYS 88 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1ehx n ASP 89 N 1.29 -0.69 -3.86 4.39 5.75 -1.26 -5.02 116.55 117.16 1ehx n ASP 89 Ca 0.11 -0.34 -0.13 0.00 -0.01 0.00 0.00 54.79 54.42 1ehx n ASP 89 Cb 0.32 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.27 1ehx n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1ehx s ILE 90 N -0.68 0.03 0.16 2.12 -1.09 -1.26 -5.14 121.20 115.34 1ehx s ILE 90 Ca 0.00 0.03 -0.31 0.00 -2.23 0.00 0.00 60.65 58.14 1ehx s ILE 90 Cb 0.00 -0.06 -0.08 0.00 -1.58 0.00 0.00 42.46 40.74 1ehx s ILE 90 CO 0.00 0.03 1.33 -2.16 -1.23 0.00 0.00 174.94 172.91 1ehx s PRO 91 N 0.25 4.37 0.00 2.79 0.04 -1.26 -4.57 135.00 136.62 1ehx s PRO 91 Ca -0.02 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1ehx s PRO 91 Cb -0.03 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1ehx s PRO 91 CO -0.01 -0.32 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1ehx n GLY 92 N 2.85 0.27 3.11 0.56 0.00 -1.26 -5.08 105.19 105.65 1ehx n GLY 92 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 -1.45 0.00 0.99 0.05 -1.26 -5.38 118.68 111.63 1ehx s LEU 93 Ca 0.00 -0.98 0.21 0.00 0.05 0.00 0.00 54.13 53.41 1ehx s LEU 93 Cb 0.00 1.89 1.26 0.00 -2.05 0.00 0.00 46.19 47.29 1ehx s LEU 93 CO 0.00 -0.15 1.64 1.21 -0.55 0.00 0.00 176.35 178.49