#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 2.85 -0.48 3.17 -0.21 -1.26 -5.08 119.66 118.64 1ehx s GLN 2 Ca 0.00 -1.19 0.07 0.00 0.02 0.00 0.00 55.36 54.26 1ehx s GLN 2 Cb 0.00 -2.56 0.25 0.00 1.00 0.00 0.00 33.01 31.70 1ehx s GLN 2 CO 0.00 0.15 0.60 -3.47 -2.12 0.00 0.00 175.29 170.46 1ehx n ASP 3 N -1.38 1.50 -4.87 5.90 2.03 -1.26 -5.07 116.55 113.40 1ehx n ASP 3 Ca -0.03 -2.97 -0.31 0.00 0.52 0.00 0.00 54.79 52.01 1ehx n ASP 3 Cb 0.59 -0.65 -0.02 0.00 -0.72 0.00 0.00 41.12 40.32 1ehx n ASP 3 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1ehx s PRO 4 N -1.64 3.75 0.09 -0.67 0.04 -1.26 -4.72 135.00 130.59 1ehx s PRO 4 Ca 0.37 0.65 0.05 0.00 0.04 0.00 0.00 61.00 62.11 1ehx s PRO 4 Cb 0.16 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1ehx s PRO 4 CO -0.08 -0.27 -0.13 0.99 0.04 0.00 0.00 177.00 177.56 1ehx s THR 5 N -2.71 1.09 0.14 1.26 2.01 -0.66 -4.81 115.64 111.98 1ehx s THR 5 Ca 0.54 -1.46 -0.10 0.00 0.31 0.00 0.00 61.69 60.98 1ehx s THR 5 Cb -0.10 -1.22 -0.00 0.00 0.01 0.00 0.00 72.50 71.19 1ehx s THR 5 CO 0.39 -0.35 0.28 -0.51 -0.69 0.00 0.00 174.62 173.74 1ehx s ILE 6 N -1.74 0.08 0.00 1.82 2.07 -1.26 0.78 121.20 122.95 1ehx s ILE 6 Ca 0.02 -1.24 0.00 0.00 -1.41 0.00 0.00 60.65 58.02 1ehx s ILE 6 Cb -0.07 -1.65 0.00 0.00 0.13 0.00 0.00 42.46 40.87 1ehx s ILE 6 CO 0.02 -0.38 0.00 -0.46 -1.91 0.00 0.00 174.94 172.21 1ehx n ASN 7 N -0.18 0.00 -0.25 4.50 0.23 -1.26 -4.95 115.26 113.35 1ehx n ASN 7 Ca -0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.95 1ehx n ASN 7 Cb 0.63 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.33 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 0.00 2.98 0.00 -0.53 -0.04 -1.26 -5.06 135.00 131.09 1ehx n PRO 8 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ehx n PRO 8 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -0.10 0.00 -3.69 0.52 -1.04 -1.26 -4.44 114.28 104.28 1ehx n THR 9 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1ehx n THR 9 Cb 0.00 1.47 -0.09 0.00 -1.82 0.00 0.00 70.33 69.89 1ehx n THR 9 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1ehx s SER 10 N 0.00 -0.61 -0.10 8.00 0.01 -1.26 -1.01 113.70 118.72 1ehx s SER 10 Ca 0.00 1.08 -0.21 0.00 1.31 0.00 0.00 55.95 58.13 1ehx s SER 10 Cb 0.00 1.02 0.05 0.00 0.21 0.00 0.00 66.02 67.30 1ehx s SER 10 CO 0.00 -0.20 0.51 -0.51 0.41 0.00 0.00 173.24 173.45 1ehx s ILE 11 N 0.91 0.02 -0.06 1.44 1.10 0.39 -4.87 121.20 120.13 1ehx s ILE 11 Ca -0.05 -0.14 -0.04 0.00 -0.51 0.00 0.00 60.65 59.91 1ehx s ILE 11 Cb -0.06 -0.78 0.03 0.00 0.15 0.00 0.00 42.46 41.80 1ehx s ILE 11 CO -0.08 -0.08 0.14 -0.94 -2.11 0.00 0.00 174.94 171.88 1ehx s SER 12 N -0.62 -0.13 -0.02 4.50 1.04 -1.26 0.07 113.70 117.28 1ehx s SER 12 Ca -0.07 0.28 -0.30 0.00 0.48 0.00 0.00 55.95 56.34 1ehx s SER 12 Cb -0.03 0.23 0.11 0.00 0.10 0.00 0.00 66.02 66.43 1ehx s SER 12 CO 0.04 -0.09 1.07 0.00 0.98 0.00 0.00 173.24 175.24 1ehx s ALA 13 N 0.59 -1.94 0.20 5.32 0.00 -0.21 -4.93 121.76 120.80 1ehx s ALA 13 Ca -0.04 0.90 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 1ehx s ALA 13 Cb -0.06 0.31 -0.09 0.00 0.00 0.00 0.00 23.12 23.29 1ehx s ALA 13 CO -0.03 -0.82 1.29 0.21 0.00 0.00 0.00 175.76 176.41 1ehx s LYS 14 N -2.83 4.41 -0.58 0.00 2.47 -1.26 -1.39 119.74 120.55 1ehx s LYS 14 Ca 0.10 2.02 -0.29 0.00 -1.56 0.00 0.00 55.97 56.24 1ehx s LYS 14 Cb 0.00 -3.20 -0.12 0.00 -1.46 0.00 0.00 37.83 33.05 1ehx s LYS 14 CO -0.04 -0.22 2.44 0.00 0.16 0.00 0.00 175.35 177.69 1ehx n ALA 15 N 2.60 0.76 0.00 3.13 0.00 -1.17 0.25 120.51 126.08 1ehx n ALA 15 Ca 0.06 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1ehx n ALA 15 Cb 0.43 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 17.04 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 6.22 3.58 0.04 0.00 0.00 -1.26 -4.82 105.19 108.95 1ehx n GLY 16 Ca 0.45 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.04 -4.29 1.61 3.41 0.14 -4.22 113.62 110.31 1ehx n SER 17 Ca 0.00 -0.99 -0.44 0.00 -0.26 0.00 0.00 58.87 57.18 1ehx n SER 17 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 -0.44 4.62 -1.19 7.33 3.72 -1.26 -4.91 117.46 125.34 1ehx n PHE 18 Ca 0.00 -3.52 -0.31 0.00 -0.05 0.00 0.00 57.45 53.57 1ehx n PHE 18 Cb 0.01 -1.77 0.10 0.00 -0.94 0.00 0.00 39.48 36.89 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 -0.77 2.12 -0.36 4.37 0.00 -1.26 -3.31 121.76 122.55 1ehx s ALA 19 Ca 0.34 0.29 -0.33 0.00 0.00 0.00 0.00 51.96 52.26 1ehx s ALA 19 Cb -0.05 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 19.64 1ehx s ALA 19 CO -0.03 -1.92 1.36 -3.47 0.00 0.00 0.00 175.76 171.70 1ehx n ASP 20 N -3.63 0.71 -4.14 0.00 -0.08 -1.26 -4.51 116.55 103.64 1ehx n ASP 20 Ca 0.09 0.67 -0.34 0.00 -1.51 0.00 0.00 54.79 53.71 1ehx n ASP 20 Cb 0.53 -0.64 -0.14 0.00 2.34 0.00 0.00 41.12 43.20 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 3.28 2.75 0.98 5.18 2.01 -0.11 -4.92 115.64 124.81 1ehx s THR 21 Ca 0.82 -1.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.26 1ehx s THR 21 Cb -1.09 -2.58 0.18 0.00 0.01 0.00 0.00 72.50 69.02 1ehx s THR 21 CO 0.53 -0.07 1.09 -1.59 -0.69 0.00 0.00 174.62 173.90 1ehx s LYS 22 N 1.21 0.56 -0.01 4.92 -2.85 -1.26 0.88 119.74 123.18 1ehx s LYS 22 Ca -0.06 0.62 -0.23 0.00 -1.00 0.00 0.00 55.97 55.29 1ehx s LYS 22 Cb -0.20 -1.74 0.05 0.00 -2.06 0.00 0.00 37.83 33.88 1ehx s LYS 22 CO -0.02 -2.67 0.51 0.42 0.10 0.00 0.00 175.35 173.69 1ehx s ILE 23 N -2.93 0.03 -0.35 3.79 1.01 0.74 -4.77 121.20 118.72 1ehx s ILE 23 Ca 0.65 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 61.09 1ehx s ILE 23 Cb -0.19 -0.87 0.10 0.00 0.01 0.00 0.00 42.46 41.51 1ehx s ILE 23 CO 0.58 -0.13 0.10 -0.89 0.00 0.00 0.00 174.94 174.60 1ehx s THR 24 N -1.60 1.62 -0.73 2.92 2.01 -1.26 -1.28 115.64 117.32 1ehx s THR 24 Ca -0.10 -2.02 -0.25 0.00 0.31 0.00 0.00 61.69 59.63 1ehx s THR 24 Cb -0.02 -2.20 0.05 0.00 0.01 0.00 0.00 72.50 70.34 1ehx s THR 24 CO 0.05 -0.67 1.18 -0.76 -0.69 0.00 0.00 174.62 173.73 1ehx s LEU 25 N 1.09 3.63 -0.35 4.42 1.43 0.63 -4.07 118.68 125.45 1ehx s LEU 25 Ca 0.11 -0.72 -0.28 0.00 -1.03 0.00 0.00 54.13 52.21 1ehx s LEU 25 Cb -0.19 -2.51 -0.01 0.00 0.03 0.00 0.00 46.19 43.51 1ehx s LEU 25 CO -0.14 -1.67 1.72 -0.89 0.23 0.00 0.00 176.35 175.59 1ehx s THR 26 N 5.07 3.56 -2.53 5.49 2.01 0.23 -4.18 115.64 125.29 1ehx s THR 26 Ca 0.31 0.57 0.24 0.00 0.31 0.00 0.00 61.69 63.12 1ehx s THR 26 Cb -0.10 -3.77 0.41 0.00 0.01 0.00 0.00 72.50 69.04 1ehx s THR 26 CO 0.11 -0.50 1.48 -0.81 -0.69 0.00 0.00 174.62 174.22 1ehx n PRO 27 N 8.37 2.08 -0.78 4.92 -0.04 -1.26 -1.65 135.00 146.64 1ehx n PRO 27 Ca 0.21 -1.61 0.00 0.00 -0.04 0.00 0.00 63.50 62.07 1ehx n PRO 27 Cb 0.47 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.87 -0.68 0.00 3.54 5.15 -1.26 0.33 115.26 123.21 1ehx n ASN 28 Ca 0.17 -0.45 0.00 0.00 -0.60 0.00 0.00 54.58 53.71 1ehx n ASN 28 Cb 0.47 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 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 2.90 2.17 3.95 8.20 0.00 -1.26 -4.72 105.19 116.44 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 -0.91 5.40 0.26 1.61 0.01 1.01 -4.91 114.94 117.40 1ehx s ASN 30 Ca 0.00 -0.56 0.06 0.00 -0.71 0.00 0.00 52.86 51.65 1ehx s ASN 30 Cb 0.00 -0.61 -0.06 0.00 0.41 0.00 0.00 41.25 40.99 1ehx s ASN 30 CO 0.00 -0.72 -0.05 0.28 -1.51 0.00 0.00 177.10 175.10 1ehx s THR 31 N -2.41 1.49 -0.00 1.60 -1.32 -1.26 -4.42 115.64 109.32 1ehx s THR 31 Ca 0.52 -2.10 0.07 0.00 -1.21 0.00 0.00 61.69 58.97 1ehx s THR 31 Cb -0.07 -2.38 -0.02 0.00 -1.51 0.00 0.00 72.50 68.51 1ehx s THR 31 CO 0.31 -0.33 -0.23 0.12 -2.21 0.00 0.00 174.62 172.27 1ehx s PHE 32 N -3.12 2.41 -0.08 9.09 5.36 -1.26 -4.12 117.98 126.26 1ehx s PHE 32 Ca 0.28 -0.37 -0.03 0.00 -0.96 0.00 0.00 56.93 55.85 1ehx s PHE 32 Cb 0.04 -1.49 -0.04 0.00 -0.34 0.00 0.00 43.02 41.19 1ehx s PHE 32 CO 0.10 0.06 -0.09 -1.71 -1.46 0.00 0.00 175.22 172.12 1ehx n ASN 33 N 2.19 0.99 0.00 6.13 2.85 0.35 -4.97 115.26 122.80 1ehx n ASN 33 Ca -0.16 0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 1ehx n ASN 33 Cb 0.51 -0.21 0.00 0.00 1.24 0.00 0.00 39.78 41.33 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 2.62 3.47 3.36 8.20 0.00 -1.24 -4.92 105.19 116.68 1ehx n GLY 34 Ca -0.15 -1.03 -0.45 0.00 0.00 0.00 0.00 46.02 44.40 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 4.90 0.25 -0.61 1.01 -1.26 -0.75 121.20 122.74 1ehx s ILE 35 Ca 0.00 -1.13 0.22 0.00 0.00 0.00 0.00 60.65 59.73 1ehx s ILE 35 Cb 0.00 -4.47 0.20 0.00 0.01 0.00 0.00 42.46 38.19 1ehx s ILE 35 CO 0.00 -1.10 1.86 -1.28 0.00 0.00 0.00 174.94 174.43 1ehx h SER 36 N 9.09 0.00 -0.40 3.58 0.87 -1.97 -0.58 113.55 124.15 1ehx h SER 36 Ca -0.27 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.40 1ehx h SER 36 Cb 1.09 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.03 1ehx h SER 36 CO 1.08 0.27 0.40 -0.08 -0.53 0.00 0.00 176.83 177.97 1ehx h GLU 37 N 0.00 0.00 -1.23 2.24 4.81 -1.83 -3.33 114.58 115.24 1ehx h GLU 37 Ca -0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1ehx h GLU 37 Cb 0.67 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 29.82 1ehx h GLU 37 CO 0.03 0.00 -0.44 -0.48 -0.73 0.00 0.00 179.01 177.39 1ehx s LEU 38 N -7.63 -1.34 -0.55 1.64 2.34 -0.24 -4.83 118.68 108.07 1ehx s LEU 38 Ca -0.04 -0.14 -0.05 0.00 0.06 0.00 0.00 54.13 53.96 1ehx s LEU 38 Cb 0.16 1.72 -0.19 0.00 -0.56 0.00 0.00 46.19 47.32 1ehx s LEU 38 CO 0.57 -0.30 1.19 0.00 -1.06 0.00 0.00 176.35 176.76 1ehx n GLN 39 N 5.25 0.00 0.00 1.48 3.00 -1.10 -4.44 117.38 121.58 1ehx n GLN 39 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 1ehx n GLN 39 Cb 0.53 -0.56 0.00 0.00 0.00 0.00 0.00 30.24 30.21 1ehx n GLN 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1ehx n SER 40 N 3.06 0.00 0.32 1.08 7.64 -1.14 -0.24 113.62 124.34 1ehx n SER 40 Ca 0.37 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.35 1ehx n SER 40 Cb 0.08 0.00 0.47 0.00 -1.01 0.00 0.00 64.21 63.75 1ehx n SER 40 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ehx h SER 41 N 0.00 0.00 -0.22 6.43 0.02 -1.92 0.51 113.55 118.37 1ehx h SER 41 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 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 0.13 0.06 -1.14 0.00 0.00 176.83 175.88 1ehx h GLN 42 N 0.00 0.32 0.00 3.45 -0.00 -0.84 -3.44 115.11 114.61 1ehx h GLN 42 Ca 0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1ehx h GLN 42 Cb 1.26 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 28.67 1ehx h GLN 42 CO -0.00 0.24 0.00 2.48 -0.00 0.00 0.00 178.83 181.55 1ehx n TYR 43 N -4.47 -0.03 -3.78 0.06 0.18 0.18 -3.05 117.16 106.24 1ehx n TYR 43 Ca 0.01 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.50 1ehx n TYR 43 Cb 0.10 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 38.93 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 -0.91 1.93 0.88 -3.48 2.01 0.45 -4.87 115.64 111.66 1ehx s THR 44 Ca 0.00 -3.16 -0.11 0.00 0.31 0.00 0.00 61.69 58.73 1ehx s THR 44 Cb 0.00 -2.32 0.12 0.00 0.01 0.00 0.00 72.50 70.30 1ehx s THR 44 CO 0.00 -0.93 1.09 -0.75 -0.69 0.00 0.00 174.62 173.34 1ehx s LYS 45 N -0.26 1.41 -0.44 4.92 2.20 -1.26 -0.14 119.74 126.17 1ehx s LYS 45 Ca 0.21 0.97 0.04 0.00 -0.36 0.00 0.00 55.97 56.82 1ehx s LYS 45 Cb -0.17 -1.81 0.25 0.00 -1.51 0.00 0.00 37.83 34.59 1ehx s LYS 45 CO -0.06 -2.18 1.00 0.41 -0.36 0.00 0.00 175.35 174.17 1ehx n GLY 46 N -0.97 -0.46 0.63 5.54 0.00 0.43 -4.83 105.19 105.54 1ehx n GLY 46 Ca 0.08 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.48 1ehx n GLY 46 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ehx n THR 47 N 1.53 -0.21 0.00 2.61 -1.04 -1.26 -0.80 114.28 115.12 1ehx n THR 47 Ca 0.07 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1ehx n THR 47 Cb 0.66 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 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 1.33 0.00 -4.30 8.00 5.03 -1.26 -5.00 115.26 119.05 1ehx n ASN 48 Ca 0.00 0.00 -0.17 0.00 0.87 0.00 0.00 54.58 55.28 1ehx n ASN 48 Cb 0.03 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 38.69 1ehx n ASN 48 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1ehx s GLU 49 N -0.45 1.20 -0.11 3.52 0.41 0.02 0.23 118.70 123.52 1ehx s GLU 49 Ca 0.00 -1.52 -0.25 0.00 -0.41 0.00 0.00 54.97 52.78 1ehx s GLU 49 Cb 0.00 -0.89 0.06 0.00 -1.78 0.00 0.00 34.13 31.52 1ehx s GLU 49 CO 0.00 0.14 0.61 0.08 -0.49 0.00 0.00 175.26 175.60 1ehx s VAL 50 N -3.12 0.01 -0.15 2.63 1.01 -0.40 0.16 120.40 120.54 1ehx s VAL 50 Ca 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 1ehx s VAL 50 Cb 0.01 -0.90 0.05 0.00 0.00 0.00 0.00 36.38 35.53 1ehx s VAL 50 CO 0.04 -0.04 0.03 -0.89 0.00 0.00 0.00 175.10 174.25 1ehx s THR 51 N -0.65 0.37 0.20 3.92 2.01 0.81 0.26 115.64 122.56 1ehx s THR 51 Ca -0.07 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.36 1ehx s THR 51 Cb -0.02 -0.79 -0.09 0.00 0.01 0.00 0.00 72.50 71.61 1ehx s THR 51 CO 0.06 -0.07 1.34 -0.76 -0.69 0.00 0.00 174.62 174.50 1ehx s LEU 52 N 1.94 4.41 -0.42 4.42 1.02 0.25 0.17 118.68 130.47 1ehx s LEU 52 Ca 0.01 2.44 -0.11 0.00 0.02 0.00 0.00 54.13 56.50 1ehx s LEU 52 Cb -0.15 -3.61 0.07 0.00 0.02 0.00 0.00 46.19 42.51 1ehx s LEU 52 CO -0.07 -0.57 0.28 -0.76 0.02 0.00 0.00 176.35 175.25 1ehx s LEU 53 N -0.05 5.18 0.47 1.79 1.43 -1.17 -0.93 118.68 125.39 1ehx s LEU 53 Ca 0.58 -1.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 1ehx s LEU 53 Cb -0.37 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1ehx s LEU 53 CO 0.38 -0.53 0.83 0.00 0.23 0.00 0.00 176.35 177.26 1ehx n ALA 54 N 5.00 0.00 -0.04 4.21 0.00 -1.21 0.17 120.51 128.64 1ehx n ALA 54 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.20 1ehx n ALA 54 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 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 0.30 0.27 0.00 4.64 -1.92 -0.24 113.55 116.60 1ehx h SER 55 Ca 0.00 -0.52 -0.01 0.00 -0.47 0.00 0.00 61.79 60.79 1ehx h SER 55 Cb 1.66 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 1ehx h SER 55 CO 0.00 0.76 -0.13 0.22 -0.87 0.00 0.00 176.83 176.82 1ehx h TYR 56 N -0.15 -0.33 -0.99 4.77 5.03 -0.52 -2.60 116.97 122.19 1ehx h TYR 56 Ca 0.01 -0.01 0.20 0.00 2.58 0.00 0.00 58.73 61.52 1ehx h TYR 56 Cb 0.69 0.11 -0.11 0.00 1.55 0.00 0.00 36.73 38.97 1ehx h TYR 56 CO 0.10 -0.06 0.59 1.25 -1.32 0.00 0.00 178.16 178.73 1ehx h LEU 57 N -1.02 0.74 -1.63 2.82 5.85 -1.65 1.42 115.31 121.84 1ehx h LEU 57 Ca -0.04 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1ehx h LEU 57 Cb 0.42 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1ehx h LEU 57 CO 0.06 0.22 -0.21 -1.13 -0.34 0.00 0.00 178.44 177.05 1ehx h ASN 58 N 0.71 0.00 1.09 1.25 -0.73 -1.07 -2.03 115.58 114.79 1ehx h ASN 58 Ca 0.59 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.63 1ehx h ASN 58 Cb 0.97 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.54 1ehx h ASN 58 CO -0.41 0.21 -0.63 0.74 -0.37 0.00 0.00 177.43 176.97 1ehx h THR 59 N 0.00 1.18 -1.16 -3.57 2.02 0.23 -3.37 112.91 108.24 1ehx h THR 59 Ca -0.00 -2.38 -0.46 0.00 0.77 0.00 0.00 66.41 64.34 1ehx h THR 59 Cb 0.45 2.39 0.11 0.00 -1.74 0.00 0.00 68.15 69.36 1ehx h THR 59 CO 0.03 0.61 -0.65 0.18 0.37 0.00 0.00 175.52 176.06 1ehx n LEU 60 N -3.41 -1.95 -4.18 2.58 7.99 -0.11 -4.89 117.00 113.03 1ehx n LEU 60 Ca 0.01 0.62 -0.28 0.00 -0.01 0.00 0.00 56.01 56.35 1ehx n LEU 60 Cb 0.72 -0.65 0.27 0.00 -0.11 0.00 0.00 43.42 43.65 1ehx n LEU 60 CO 0.42 -2.95 0.30 -2.65 -1.51 0.00 0.00 177.39 171.00 1ehx n PRO 61 N 0.94 -4.31 0.00 3.23 -0.02 -1.26 -4.96 135.00 128.63 1ehx n PRO 61 Ca 0.09 -1.28 0.00 0.00 -2.02 0.00 0.00 63.50 60.29 1ehx n PRO 61 Cb 0.28 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1ehx n PRO 61 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ehx n GLU 62 N -4.99 -0.20 -0.91 -0.52 4.71 -1.26 -4.24 120.64 113.22 1ehx n GLU 62 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 1ehx n GLU 62 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.98 1ehx n GLU 62 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1ehx n ASN 63 N -1.54 -1.14 -4.68 1.62 6.94 -1.17 -4.74 115.26 110.55 1ehx n ASN 63 Ca 0.00 -0.66 -0.23 0.00 -0.02 0.00 0.00 54.58 53.66 1ehx n ASN 63 Cb 0.00 -0.14 -0.07 0.00 -2.36 0.00 0.00 39.78 37.21 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 2.04 3.04 -0.88 5.53 -4.23 0.53 -4.89 115.64 116.78 1ehx s THR 64 Ca 0.00 -1.84 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 1ehx s THR 64 Cb 0.00 -2.89 0.22 0.00 1.34 0.00 0.00 72.50 71.17 1ehx s THR 64 CO 0.00 -0.25 0.76 -0.89 -0.54 0.00 0.00 174.62 173.70 1ehx s THR 65 N -2.42 4.24 0.75 3.99 2.01 -1.26 0.33 115.64 123.28 1ehx s THR 65 Ca 0.35 -3.90 -0.13 0.00 0.31 0.00 0.00 61.69 58.31 1ehx s THR 65 Cb -0.03 -3.64 0.05 0.00 0.01 0.00 0.00 72.50 68.89 1ehx s THR 65 CO 0.21 -1.08 1.15 -0.75 -0.69 0.00 0.00 174.62 173.46 1ehx s LYS 66 N -1.36 2.14 -0.13 4.92 2.36 0.67 -4.77 119.74 123.58 1ehx s LYS 66 Ca 0.27 1.52 -0.06 0.00 -2.55 0.00 0.00 55.97 55.15 1ehx s LYS 66 Cb -0.07 -1.86 0.05 0.00 -1.05 0.00 0.00 37.83 34.90 1ehx s LYS 66 CO -0.13 -1.78 0.30 0.99 1.55 0.00 0.00 175.35 176.28 1ehx s THR 67 N -2.35 -0.09 -0.84 3.43 2.01 -1.26 0.31 115.64 116.84 1ehx s THR 67 Ca 0.69 0.15 -0.15 0.00 0.31 0.00 0.00 61.69 62.68 1ehx s THR 67 Cb -0.24 -0.46 0.19 0.00 0.01 0.00 0.00 72.50 72.01 1ehx s THR 67 CO 0.48 0.06 0.86 -0.22 -0.69 0.00 0.00 174.62 175.11 1ehx s LEU 68 N 1.46 6.26 -0.47 4.42 0.20 0.36 -4.56 118.68 126.35 1ehx s LEU 68 Ca -0.08 -2.47 -0.11 0.00 0.69 0.00 0.00 54.13 52.17 1ehx s LEU 68 Cb -0.10 -2.26 0.11 0.00 -0.43 0.00 0.00 46.19 43.51 1ehx s LEU 68 CO -0.10 -0.73 0.35 -0.89 -0.29 0.00 0.00 176.35 174.70 1ehx s THR 69 N 0.94 4.43 -0.07 3.68 2.01 -1.26 -1.22 115.64 124.15 1ehx s THR 69 Ca 0.21 -1.62 -0.30 0.00 0.31 0.00 0.00 61.69 60.30 1ehx s THR 69 Cb -0.09 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1ehx s THR 69 CO -0.08 -0.72 1.48 -0.36 -0.69 0.00 0.00 174.62 174.25 1ehx s PHE 70 N 1.43 2.43 -0.78 4.92 0.08 -1.11 -4.15 117.98 120.81 1ehx s PHE 70 Ca 0.05 0.57 -0.25 0.00 0.12 0.00 0.00 56.93 57.41 1ehx s PHE 70 Cb -0.26 -3.74 -0.04 0.00 -0.57 0.00 0.00 43.02 38.41 1ehx s PHE 70 CO 0.01 -2.92 1.92 0.34 -0.10 0.00 0.00 175.22 174.47 1ehx s ASP 71 N 2.60 5.18 -0.29 1.36 -1.08 0.07 -4.59 116.67 119.91 1ehx s ASP 71 Ca 0.66 -0.23 0.11 0.00 -0.52 0.00 0.00 52.55 52.58 1ehx s ASP 71 Cb -0.30 -2.55 0.75 0.00 -1.46 0.00 0.00 42.92 39.36 1ehx s ASP 71 CO 0.25 -2.60 1.76 0.49 0.52 0.00 0.00 175.17 175.58 1ehx n PHE 72 N 13.52 2.22 -0.64 -5.34 3.01 -1.26 0.13 117.46 129.11 1ehx n PHE 72 Ca 0.32 -1.07 0.00 0.00 1.01 0.00 0.00 57.45 57.71 1ehx n PHE 72 Cb 0.49 -0.61 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 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 -0.01 0.65 2.60 1.37 0.00 -1.26 -4.51 105.19 104.03 1ehx n GLY 73 Ca 0.36 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.28 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 1.57 -0.51 1.61 0.24 -1.26 -4.91 118.33 113.08 1ehx n VAL 74 Ca 0.00 -3.41 0.43 0.00 -2.04 0.00 0.00 64.34 59.32 1ehx n VAL 74 Cb 0.00 0.42 0.68 0.00 -1.47 0.00 0.00 33.84 33.47 1ehx n VAL 74 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1ehx h GLY 75 N 2.61 0.00 -0.97 7.63 0.00 -1.89 0.20 103.07 110.64 1ehx h GLY 75 Ca 0.02 0.00 0.32 0.00 0.00 0.00 0.00 47.33 47.67 1ehx h GLY 75 CO 0.43 0.00 0.22 2.41 0.00 0.00 0.00 176.54 179.60 1ehx n THR 76 N -3.68 -0.41 -2.02 4.70 -1.04 -1.26 -2.86 114.28 107.72 1ehx n THR 76 Ca 0.36 2.07 -0.00 0.00 -2.04 0.00 0.00 64.05 64.44 1ehx n THR 76 Cb 1.81 -3.16 -0.00 0.00 -1.82 0.00 0.00 70.33 67.16 1ehx n THR 76 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1ehx n LYS 77 N -5.35 0.00 -1.07 -2.82 2.85 -0.32 -5.13 118.16 106.33 1ehx n LYS 77 Ca 0.28 -0.59 -0.34 0.00 -1.05 0.00 0.00 58.31 56.62 1ehx n LYS 77 Cb 0.95 -0.24 0.12 0.00 -0.65 0.00 0.00 35.03 35.21 1ehx n LYS 77 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1ehx n ASN 78 N 0.02 0.30 -4.54 -5.58 6.94 -0.09 -4.78 115.26 107.52 1ehx n ASN 78 Ca -0.01 0.55 -0.31 0.00 -0.02 0.00 0.00 54.58 54.79 1ehx n ASN 78 Cb 0.63 -1.43 -0.06 0.00 -2.36 0.00 0.00 39.78 36.56 1ehx n ASN 78 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1ehx n PRO 79 N -2.78 0.77 -4.49 -0.53 -0.04 -1.26 -4.91 135.00 121.77 1ehx n PRO 79 Ca 0.12 -0.19 -0.24 0.00 -0.04 0.00 0.00 63.50 63.15 1ehx n PRO 79 Cb 0.51 -3.19 -0.17 0.00 -0.04 0.00 0.00 33.50 30.61 1ehx n PRO 79 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1ehx s LYS 80 N 8.47 1.54 0.25 0.54 -2.85 -1.26 -2.74 119.74 123.69 1ehx s LYS 80 Ca 1.03 -0.35 0.10 0.00 -1.00 0.00 0.00 55.97 55.74 1ehx s LYS 80 Cb -0.31 -1.31 -0.04 0.00 -2.06 0.00 0.00 37.83 34.10 1ehx s LYS 80 CO 0.26 -0.00 -0.09 -0.48 0.10 0.00 0.00 175.35 175.14 1ehx s LEU 81 N 0.74 2.95 -0.36 2.77 0.05 -0.36 -4.65 118.68 119.83 1ehx s LEU 81 Ca -0.13 -0.74 -0.07 0.00 0.05 0.00 0.00 54.13 53.23 1ehx s LEU 81 Cb -0.15 -1.52 0.05 0.00 -2.05 0.00 0.00 46.19 42.52 1ehx s LEU 81 CO 0.03 0.04 0.16 0.28 -0.55 0.00 0.00 176.35 176.30 1ehx s THR 82 N -2.22 3.96 -0.38 5.48 -1.32 -0.18 0.14 115.64 121.12 1ehx s THR 82 Ca 0.29 -1.19 -0.20 0.00 -1.21 0.00 0.00 61.69 59.38 1ehx s THR 82 Cb -0.07 -3.30 0.01 0.00 -1.51 0.00 0.00 72.50 67.63 1ehx s THR 82 CO 0.17 -0.28 0.60 -0.63 -2.21 0.00 0.00 174.62 172.27 1ehx s ILE 83 N 1.42 4.91 -0.31 5.08 1.01 0.91 -0.47 121.20 133.75 1ehx s ILE 83 Ca 0.00 0.33 -0.20 0.00 0.00 0.00 0.00 60.65 60.79 1ehx s ILE 83 Cb -0.20 -4.09 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 1ehx s ILE 83 CO 0.03 -0.38 0.59 -0.89 0.00 0.00 0.00 174.94 174.29 1ehx s THR 84 N 2.64 4.97 -0.65 2.92 2.01 0.11 0.24 115.64 127.88 1ehx s THR 84 Ca 0.22 0.78 -0.14 0.00 0.31 0.00 0.00 61.69 62.85 1ehx s THR 84 Cb -0.15 -3.97 0.17 0.00 0.01 0.00 0.00 72.50 68.56 1ehx s THR 84 CO 0.16 -0.12 0.59 0.68 -0.69 0.00 0.00 174.62 175.23 1ehx s VAL 85 N 2.53 5.20 1.04 3.82 -7.23 0.15 -1.04 120.40 124.88 1ehx s VAL 85 Ca 0.24 -1.98 -0.11 0.00 -1.81 0.00 0.00 61.98 58.31 1ehx s VAL 85 Cb -0.15 -4.29 0.22 0.00 0.56 0.00 0.00 36.38 32.71 1ehx s VAL 85 CO 0.12 -0.92 1.08 -0.76 -0.31 0.00 0.00 175.10 174.30 1ehx s LEU 86 N 0.93 1.78 0.18 1.32 2.01 -0.49 -0.35 118.68 124.07 1ehx s LEU 86 Ca 0.10 1.81 -0.30 0.00 0.01 0.00 0.00 54.13 55.75 1ehx s LEU 86 Cb -0.21 -3.95 -0.08 0.00 0.01 0.00 0.00 46.19 41.96 1ehx s LEU 86 CO -0.02 -3.64 0.98 -2.16 1.01 0.00 0.00 176.35 172.51 1ehx s PRO 87 N -4.57 4.75 0.46 1.29 0.04 -1.26 -3.06 135.00 132.65 1ehx s PRO 87 Ca 0.67 1.52 -0.24 0.00 0.04 0.00 0.00 61.00 63.00 1ehx s PRO 87 Cb -0.24 -3.31 -0.07 0.00 0.04 0.00 0.00 34.50 30.92 1ehx s PRO 87 CO 0.61 0.32 1.29 -1.59 0.04 0.00 0.00 177.00 177.67 1ehx s LYS 88 N -0.63 3.67 -0.80 4.56 -2.85 -1.26 -4.89 119.74 117.54 1ehx s LYS 88 Ca 0.45 2.09 -0.25 0.00 -1.00 0.00 0.00 55.97 57.25 1ehx s LYS 88 Cb -0.26 -2.52 -0.03 0.00 -2.06 0.00 0.00 37.83 32.96 1ehx s LYS 88 CO 0.32 -0.72 1.85 0.16 0.10 0.00 0.00 175.35 177.07 1ehx s ASP 89 N -0.95 5.32 -0.02 0.03 -4.77 -1.26 -4.93 116.67 110.08 1ehx s ASP 89 Ca 0.63 -0.35 0.03 0.00 -3.30 0.00 0.00 52.55 49.55 1ehx s ASP 89 Cb -0.36 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 38.92 1ehx s ASP 89 CO 0.45 -2.49 -0.09 -0.51 0.70 0.00 0.00 175.17 173.23 1ehx s ILE 90 N 9.20 0.74 -0.17 2.11 2.07 -1.26 -5.11 121.20 128.78 1ehx s ILE 90 Ca 0.66 -0.36 -0.29 0.00 -1.41 0.00 0.00 60.65 59.25 1ehx s ILE 90 Cb -0.08 -0.65 -0.03 0.00 0.13 0.00 0.00 42.46 41.82 1ehx s ILE 90 CO 0.07 0.23 1.56 -2.16 -1.91 0.00 0.00 174.94 172.73 1ehx s PRO 91 N 0.08 3.97 0.00 3.50 0.04 -1.26 -3.17 135.00 138.17 1ehx s PRO 91 Ca -0.01 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1ehx s PRO 91 Cb -0.07 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1ehx s PRO 91 CO 0.00 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.37 1ehx n GLY 92 N 4.34 1.39 2.74 0.56 0.00 -1.26 -5.06 105.19 107.90 1ehx n GLY 92 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.14 0.00 0.99 0.05 -1.19 -5.31 118.68 113.08 1ehx s LEU 93 Ca 0.00 -0.71 0.00 0.00 0.05 0.00 0.00 54.13 53.47 1ehx s LEU 93 Cb 0.00 0.41 0.00 0.00 -2.05 0.00 0.00 46.19 44.55 1ehx s LEU 93 CO 0.00 -0.38 0.34 -0.62 -0.55 0.00 0.00 176.35 175.14