#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 1.61 -0.48 0.03 -1.52 -1.26 -5.07 119.66 112.97 1ehx s GLN 2 Ca 0.00 -1.34 0.06 0.00 -1.95 0.00 0.00 55.36 52.13 1ehx s GLN 2 Cb 0.00 -1.98 0.21 0.00 -0.22 0.00 0.00 33.01 31.02 1ehx s GLN 2 CO 0.00 0.44 0.48 -0.40 -0.25 0.00 0.00 175.29 175.56 1ehx n ASP 3 N 0.61 0.87 -4.89 5.90 5.68 -1.26 -5.02 116.55 118.44 1ehx n ASP 3 Ca -0.15 -2.75 -0.32 0.00 -0.50 0.00 0.00 54.79 51.06 1ehx n ASP 3 Cb 0.54 -0.63 -0.05 0.00 -1.14 0.00 0.00 41.12 39.84 1ehx n ASP 3 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 1ehx s PRO 4 N -0.92 3.70 0.30 0.11 0.04 -1.26 -4.73 135.00 132.23 1ehx s PRO 4 Ca 0.33 0.07 0.06 0.00 0.04 0.00 0.00 61.00 61.49 1ehx s PRO 4 Cb 0.08 -2.80 -0.02 0.00 0.04 0.00 0.00 34.50 31.80 1ehx s PRO 4 CO -0.14 0.43 0.43 -0.08 0.04 0.00 0.00 177.00 177.68 1ehx s THR 5 N -1.68 4.61 -0.02 1.26 -1.32 -0.57 -4.95 115.64 112.98 1ehx s THR 5 Ca 0.42 -0.96 -0.23 0.00 -1.21 0.00 0.00 61.69 59.71 1ehx s THR 5 Cb -0.12 -3.62 0.05 0.00 -1.51 0.00 0.00 72.50 67.30 1ehx s THR 5 CO 0.23 -0.25 0.51 -0.51 -2.21 0.00 0.00 174.62 172.39 1ehx s ILE 6 N -2.11 0.03 0.00 5.08 1.10 -1.26 -2.25 121.20 121.79 1ehx s ILE 6 Ca 0.40 -0.23 0.00 0.00 -0.51 0.00 0.00 60.65 60.31 1ehx s ILE 6 Cb -0.09 -0.85 0.00 0.00 0.15 0.00 0.00 42.46 41.67 1ehx s ILE 6 CO 0.31 -0.13 0.00 -0.46 -2.11 0.00 0.00 174.94 172.55 1ehx n ASN 7 N 0.99 -0.67 -3.23 4.50 0.23 -1.07 -5.00 115.26 111.01 1ehx n ASN 7 Ca -0.20 -0.15 0.00 0.00 -0.53 0.00 0.00 54.58 53.70 1ehx n ASN 7 Cb 0.57 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 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 -0.82 -0.91 0.00 -0.53 -0.02 -1.26 -5.02 135.00 126.44 1ehx n PRO 8 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1ehx n PRO 8 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 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 -2.26 0.00 -3.83 3.45 -1.04 -1.26 -4.76 114.28 104.58 1ehx n THR 9 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 1ehx n THR 9 Cb 0.00 1.21 -0.17 0.00 -1.82 0.00 0.00 70.33 69.55 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 1.83 -0.08 8.00 0.01 -1.26 -0.89 113.70 121.31 1ehx s SER 10 Ca 0.00 -0.18 -0.05 0.00 1.31 0.00 0.00 55.95 57.03 1ehx s SER 10 Cb 0.00 -0.61 0.03 0.00 0.21 0.00 0.00 66.02 65.65 1ehx s SER 10 CO 0.00 -0.16 0.19 -0.51 0.41 0.00 0.00 173.24 173.16 1ehx s ILE 11 N 1.85 -0.02 -0.01 1.44 2.07 -0.34 -4.97 121.20 121.22 1ehx s ILE 11 Ca 0.05 0.08 0.02 0.00 -1.41 0.00 0.00 60.65 59.39 1ehx s ILE 11 Cb -0.12 -0.28 -0.00 0.00 0.13 0.00 0.00 42.46 42.18 1ehx s ILE 11 CO -0.06 0.03 -0.07 -0.44 -1.91 0.00 0.00 174.94 172.49 1ehx s SER 12 N 0.65 0.90 0.05 4.50 0.01 -1.26 -0.02 113.70 118.52 1ehx s SER 12 Ca -0.05 -0.14 -0.28 0.00 1.31 0.00 0.00 55.95 56.80 1ehx s SER 12 Cb -0.06 -0.18 0.10 0.00 0.21 0.00 0.00 66.02 66.09 1ehx s SER 12 CO -0.03 0.06 1.12 0.00 0.41 0.00 0.00 173.24 174.79 1ehx s ALA 13 N 0.05 -1.95 0.66 1.44 0.00 -0.18 -4.93 121.76 116.85 1ehx s ALA 13 Ca -0.00 0.52 -0.15 0.00 0.00 0.00 0.00 51.96 52.33 1ehx s ALA 13 Cb -0.05 0.46 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 1ehx s ALA 13 CO -0.00 -1.00 1.11 0.21 0.00 0.00 0.00 175.76 176.07 1ehx s LYS 14 N -2.84 2.81 -0.78 0.00 2.47 -1.26 -1.42 119.74 118.72 1ehx s LYS 14 Ca 0.12 1.36 -0.26 0.00 -1.56 0.00 0.00 55.97 55.64 1ehx s LYS 14 Cb 0.01 -1.95 -0.10 0.00 -1.46 0.00 0.00 37.83 34.33 1ehx s LYS 14 CO -0.02 -1.24 2.25 0.00 0.16 0.00 0.00 175.35 176.51 1ehx s ALA 15 N -2.38 1.14 0.00 3.13 0.00 -1.10 0.12 121.76 122.67 1ehx s ALA 15 Ca 0.66 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1ehx s ALA 15 Cb -0.20 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.39 1ehx s ALA 15 CO 0.42 -5.35 0.00 0.41 0.00 0.00 0.00 175.76 171.23 1ehx n GLY 16 N 6.69 1.27 0.00 0.00 0.00 -1.25 -4.70 105.19 107.20 1ehx n GLY 16 Ca 0.42 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.48 1ehx n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ehx n SER 17 N 0.00 0.00 -4.35 1.61 2.88 0.32 -4.13 113.62 109.94 1ehx n SER 17 Ca 0.00 -0.45 -0.45 0.00 -1.33 0.00 0.00 58.87 56.64 1ehx n SER 17 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1ehx n SER 17 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1ehx s PHE 18 N -2.00 4.04 0.78 0.66 0.08 -1.24 -4.70 117.98 115.60 1ehx s PHE 18 Ca 0.10 -2.42 -0.11 0.00 0.12 0.00 0.00 56.93 54.61 1ehx s PHE 18 Cb 0.05 -3.90 0.06 0.00 -0.57 0.00 0.00 43.02 38.66 1ehx s PHE 18 CO 0.08 -1.03 1.10 0.00 -0.10 0.00 0.00 175.22 175.27 1ehx s ALA 19 N -0.49 2.16 -0.35 5.36 0.00 -1.26 -3.18 121.76 124.00 1ehx s ALA 19 Ca 0.29 0.36 -0.31 0.00 0.00 0.00 0.00 51.96 52.30 1ehx s ALA 19 Cb -0.09 -3.31 -0.13 0.00 0.00 0.00 0.00 23.12 19.59 1ehx s ALA 19 CO -0.07 -1.86 1.38 -3.47 0.00 0.00 0.00 175.76 171.73 1ehx n ASP 20 N -3.49 0.61 -4.13 0.00 2.03 -1.26 -4.53 116.55 105.79 1ehx n ASP 20 Ca 0.10 0.57 -0.35 0.00 0.52 0.00 0.00 54.79 55.63 1ehx n ASP 20 Cb 0.53 -0.62 -0.13 0.00 -0.72 0.00 0.00 41.12 40.18 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 3.58 3.10 0.82 5.18 2.01 0.00 -4.91 115.64 125.43 1ehx s THR 21 Ca 0.81 -1.82 -0.11 0.00 0.31 0.00 0.00 61.69 60.87 1ehx s THR 21 Cb -1.04 -3.01 0.08 0.00 0.01 0.00 0.00 72.50 68.54 1ehx s THR 21 CO 0.49 -0.47 1.09 -0.75 -0.69 0.00 0.00 174.62 174.30 1ehx s LYS 22 N 1.16 1.87 -0.00 4.92 2.47 -1.26 0.32 119.74 129.22 1ehx s LYS 22 Ca 0.04 1.02 -0.17 0.00 -1.56 0.00 0.00 55.97 55.30 1ehx s LYS 22 Cb -0.21 -1.86 0.03 0.00 -1.46 0.00 0.00 37.83 34.32 1ehx s LYS 22 CO -0.03 -1.87 0.36 0.42 0.16 0.00 0.00 175.35 174.38 1ehx s ILE 23 N -2.92 0.06 -0.21 5.43 1.01 0.66 -4.83 121.20 120.39 1ehx s ILE 23 Ca 0.62 -0.46 -0.00 0.00 0.00 0.00 0.00 60.65 60.81 1ehx s ILE 23 Cb -0.17 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.57 1ehx s ILE 23 CO 0.56 -0.25 -0.13 -0.89 0.00 0.00 0.00 174.94 174.23 1ehx s THR 24 N -1.64 2.51 -0.66 2.92 2.01 -1.26 -1.25 115.64 118.28 1ehx s THR 24 Ca -0.11 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 60.93 1ehx s THR 24 Cb -0.03 -2.17 0.17 0.00 0.01 0.00 0.00 72.50 70.47 1ehx s THR 24 CO 0.03 0.38 0.47 -0.76 -0.69 0.00 0.00 174.62 174.05 1ehx s LEU 25 N 1.32 5.14 -0.29 4.42 1.02 1.02 -2.59 118.68 128.72 1ehx s LEU 25 Ca 0.03 -3.07 -0.29 0.00 0.02 0.00 0.00 54.13 50.81 1ehx s LEU 25 Cb -0.15 -1.82 -0.02 0.00 0.02 0.00 0.00 46.19 44.22 1ehx s LEU 25 CO -0.08 -0.30 1.73 -0.89 0.02 0.00 0.00 176.35 176.82 1ehx s THR 26 N -0.38 3.56 -2.39 5.49 2.01 -0.95 -4.21 115.64 118.76 1ehx s THR 26 Ca 0.19 0.59 0.23 0.00 0.31 0.00 0.00 61.69 63.01 1ehx s THR 26 Cb -0.18 -3.68 0.46 0.00 0.01 0.00 0.00 72.50 69.11 1ehx s THR 26 CO -0.05 -0.38 1.56 -0.81 -0.69 0.00 0.00 174.62 174.24 1ehx n PRO 27 N 8.15 1.85 -0.77 4.92 -0.04 -1.26 -1.51 135.00 146.34 1ehx n PRO 27 Ca 0.21 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 1ehx n PRO 27 Cb 0.46 -1.43 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 0.50 -0.67 0.00 3.54 2.85 -1.26 0.39 115.26 120.60 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 0.39 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.41 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 0.98 3.90 8.20 0.00 -1.26 -4.78 105.19 115.06 1ehx n GLY 29 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.67 5.52 0.17 1.61 0.01 1.25 -4.94 114.94 117.89 1ehx s ASN 30 Ca 0.00 -0.39 0.08 0.00 -0.71 0.00 0.00 52.86 51.85 1ehx s ASN 30 Cb 0.00 -1.08 -0.04 0.00 0.41 0.00 0.00 41.25 40.54 1ehx s ASN 30 CO 0.00 -0.36 -0.17 0.28 -1.51 0.00 0.00 177.10 175.33 1ehx s THR 31 N -2.26 1.77 -0.05 1.60 -1.32 -1.26 -4.21 115.64 109.91 1ehx s THR 31 Ca 0.42 -1.96 0.06 0.00 -1.21 0.00 0.00 61.69 59.00 1ehx s THR 31 Cb -0.07 -1.86 -0.01 0.00 -1.51 0.00 0.00 72.50 69.05 1ehx s THR 31 CO 0.28 -0.37 -0.23 0.12 -2.21 0.00 0.00 174.62 172.21 1ehx s PHE 32 N -2.22 2.22 -0.02 9.09 5.36 -1.26 -4.26 117.98 126.89 1ehx s PHE 32 Ca 0.16 -0.63 -0.01 0.00 -0.96 0.00 0.00 56.93 55.49 1ehx s PHE 32 Cb -0.05 -1.46 -0.00 0.00 -0.34 0.00 0.00 43.02 41.17 1ehx s PHE 32 CO 0.06 -0.18 -0.03 0.09 -1.46 0.00 0.00 175.22 173.70 1ehx n ASN 33 N 2.94 0.18 0.00 6.13 3.02 0.88 -4.97 115.26 123.44 1ehx n ASN 33 Ca -0.17 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1ehx n ASN 33 Cb 0.52 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 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 1.59 0.42 3.29 7.41 0.00 -1.25 -4.96 105.19 111.70 1ehx n GLY 34 Ca -0.01 -0.86 -0.44 0.00 0.00 0.00 0.00 46.02 44.71 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 4.85 0.22 -0.61 1.01 -1.26 -1.31 121.20 122.09 1ehx s ILE 35 Ca 0.00 -1.48 -0.09 0.00 0.00 0.00 0.00 60.65 59.08 1ehx s ILE 35 Cb 0.00 -4.07 0.16 0.00 0.01 0.00 0.00 42.46 38.56 1ehx s ILE 35 CO 0.00 -0.75 1.82 0.28 0.00 0.00 0.00 174.94 176.29 1ehx h SER 36 N 8.70 0.61 -1.24 3.58 0.02 -1.97 -0.27 113.55 122.99 1ehx h SER 36 Ca -0.27 0.03 0.36 0.00 -0.84 0.00 0.00 61.79 61.07 1ehx h SER 36 Cb 1.09 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.49 1ehx h SER 36 CO 0.93 0.39 1.01 1.05 -1.14 0.00 0.00 176.83 179.08 1ehx h GLU 37 N 0.74 0.00 -2.06 3.45 9.09 -1.87 -2.94 114.58 120.99 1ehx h GLU 37 Ca 0.31 0.00 -0.47 0.00 0.05 0.00 0.00 59.36 59.25 1ehx h GLU 37 Cb 0.18 0.00 -0.33 0.00 -1.65 0.00 0.00 28.75 26.95 1ehx h GLU 37 CO -0.18 0.00 -0.83 -0.48 0.05 0.00 0.00 179.01 177.57 1ehx s LEU 38 N -7.71 0.59 -0.62 3.06 2.34 -0.13 -5.02 118.68 111.19 1ehx s LEU 38 Ca -0.04 -2.52 -0.08 0.00 0.06 0.00 0.00 54.13 51.55 1ehx s LEU 38 Cb 0.21 0.17 -0.20 0.00 -0.56 0.00 0.00 46.19 45.81 1ehx s LEU 38 CO 0.72 -0.17 1.38 0.00 -1.06 0.00 0.00 176.35 177.22 1ehx n GLN 39 N 3.17 0.00 0.00 1.48 1.13 -1.11 -4.19 117.38 117.86 1ehx n GLN 39 Ca 0.23 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 1ehx n GLN 39 Cb 0.48 -0.66 0.00 0.00 0.11 0.00 0.00 30.24 30.17 1ehx n GLN 39 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1ehx n SER 40 N 3.85 0.00 -0.09 1.08 7.64 -1.25 -0.96 113.62 123.89 1ehx n SER 40 Ca 0.42 0.00 0.26 0.00 1.01 0.00 0.00 58.87 60.56 1ehx n SER 40 Cb 0.08 0.00 0.70 0.00 -1.01 0.00 0.00 64.21 63.97 1ehx n SER 40 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1ehx h SER 41 N 0.00 0.00 -0.27 6.43 0.87 -1.95 1.03 113.55 119.66 1ehx h SER 41 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1ehx h SER 41 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1ehx h SER 41 CO 0.00 0.00 0.16 1.56 -0.53 0.00 0.00 176.83 178.02 1ehx h GLN 42 N 0.00 0.41 0.00 2.24 7.50 -1.21 -3.44 115.11 120.60 1ehx h GLN 42 Ca 0.36 -0.04 -0.04 0.00 0.50 0.00 0.00 58.65 59.43 1ehx h GLN 42 Cb 1.72 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 29.15 1ehx h GLN 42 CO -0.00 0.31 -0.03 2.48 -1.50 0.00 0.00 178.83 180.08 1ehx n TYR 43 N -4.45 0.05 -3.65 2.96 0.18 0.36 -2.98 117.16 109.62 1ehx n TYR 43 Ca 0.01 -0.16 -0.29 0.00 1.88 0.00 0.00 57.90 59.34 1ehx n TYR 43 Cb 0.10 -0.01 -0.13 0.00 -0.38 0.00 0.00 39.34 38.91 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 -1.32 0.90 0.98 -3.48 2.01 0.36 -4.89 115.64 110.20 1ehx s THR 44 Ca 0.01 -1.95 -0.12 0.00 0.31 0.00 0.00 61.69 59.93 1ehx s THR 44 Cb 0.00 -1.65 0.18 0.00 0.01 0.00 0.00 72.50 71.04 1ehx s THR 44 CO 0.00 -0.85 1.09 -0.75 -0.69 0.00 0.00 174.62 173.43 1ehx s LYS 45 N 0.96 0.55 -0.45 4.92 2.36 -1.26 -0.14 119.74 126.67 1ehx s LYS 45 Ca 0.15 0.64 0.07 0.00 -2.55 0.00 0.00 55.97 54.28 1ehx s LYS 45 Cb -0.22 -1.74 0.26 0.00 -1.05 0.00 0.00 37.83 35.09 1ehx s LYS 45 CO -0.08 -2.68 0.80 0.41 1.55 0.00 0.00 175.35 175.35 1ehx n GLY 46 N -0.93 1.23 1.92 5.54 0.00 0.52 -4.84 105.19 108.62 1ehx n GLY 46 Ca 0.06 -0.52 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 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 1.28 0.00 0.00 2.61 -1.04 -1.26 -1.24 114.28 114.64 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 0.61 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 69.05 1ehx n THR 47 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1ehx n ASN 48 N 0.22 0.00 -4.30 8.00 6.94 -1.26 -4.91 115.26 119.95 1ehx n ASN 48 Ca 0.02 0.00 -0.16 0.00 -0.02 0.00 0.00 54.58 54.42 1ehx n ASN 48 Cb 0.08 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.39 1ehx n ASN 48 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1ehx s GLU 49 N 0.00 1.29 -0.01 -3.83 2.02 -0.37 0.33 118.70 118.13 1ehx s GLU 49 Ca 0.00 -1.66 0.01 0.00 0.02 0.00 0.00 54.97 53.34 1ehx s GLU 49 Cb 0.00 -0.38 0.00 0.00 0.10 0.00 0.00 34.13 33.86 1ehx s GLU 49 CO 0.00 -0.18 -0.04 0.08 0.02 0.00 0.00 175.26 175.14 1ehx s VAL 50 N -3.62 0.34 -0.27 2.63 1.01 -0.38 0.19 120.40 120.31 1ehx s VAL 50 Ca 0.30 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1ehx s VAL 50 Cb 0.07 -0.32 0.07 0.00 0.00 0.00 0.00 36.38 36.19 1ehx s VAL 50 CO 0.09 0.12 -0.07 -0.89 0.00 0.00 0.00 175.10 174.35 1ehx s THR 51 N 0.19 2.06 0.16 3.92 2.01 0.79 0.24 115.64 125.02 1ehx s THR 51 Ca -0.02 -1.69 -0.31 0.00 0.31 0.00 0.00 61.69 59.99 1ehx s THR 51 Cb -0.05 -2.26 -0.08 0.00 0.01 0.00 0.00 72.50 70.11 1ehx s THR 51 CO -0.00 -0.15 1.35 -0.76 -0.69 0.00 0.00 174.62 174.37 1ehx s LEU 52 N 1.12 4.39 -0.38 4.42 1.43 0.15 0.13 118.68 129.95 1ehx s LEU 52 Ca -0.05 2.37 -0.12 0.00 -1.03 0.00 0.00 54.13 55.31 1ehx s LEU 52 Cb -0.20 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.45 1ehx s LEU 52 CO -0.06 -0.59 0.22 -0.76 0.23 0.00 0.00 176.35 175.39 1ehx s LEU 53 N 0.43 4.77 0.41 1.79 1.43 -1.16 -0.81 118.68 125.54 1ehx s LEU 53 Ca 0.60 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1ehx s LEU 53 Cb -0.37 -2.05 0.06 0.00 0.03 0.00 0.00 46.19 43.87 1ehx s LEU 53 CO 0.35 -0.39 0.86 0.00 0.23 0.00 0.00 176.35 177.39 1ehx h ALA 54 N 8.47 1.60 -0.11 4.21 0.00 -1.78 0.44 119.26 132.08 1ehx h ALA 54 Ca -0.26 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1ehx h ALA 54 Cb 1.11 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ehx h ALA 54 CO 0.68 -0.60 -0.15 0.66 0.00 0.00 0.00 179.25 179.83 1ehx h SER 55 N 0.00 0.33 0.46 0.00 4.64 -1.91 -0.75 113.55 116.32 1ehx h SER 55 Ca 0.00 -0.52 -0.02 0.00 -0.47 0.00 0.00 61.79 60.78 1ehx h SER 55 Cb 1.56 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1ehx h SER 55 CO 0.00 0.78 -0.22 0.22 -0.87 0.00 0.00 176.83 176.74 1ehx h TYR 56 N -0.12 -0.57 -0.99 4.77 3.20 -0.35 -2.48 116.97 120.44 1ehx h TYR 56 Ca 0.01 -0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.11 1ehx h TYR 56 Cb 0.71 0.19 -0.07 0.00 1.54 0.00 0.00 36.73 39.09 1ehx h TYR 56 CO 0.10 -0.35 0.65 1.25 -1.64 0.00 0.00 178.16 178.16 1ehx h LEU 57 N -1.05 0.37 -0.82 2.82 5.85 -1.66 0.60 115.31 121.41 1ehx h LEU 57 Ca -0.06 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1ehx h LEU 57 Cb 0.47 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1ehx h LEU 57 CO 0.10 0.11 -0.03 -1.13 -0.34 0.00 0.00 178.44 177.15 1ehx h ASN 58 N 0.35 0.83 1.54 1.25 -0.73 -1.10 -2.66 115.58 115.05 1ehx h ASN 58 Ca 0.53 -0.22 -0.03 0.00 1.87 0.00 0.00 56.30 58.45 1ehx h ASN 58 Cb 1.44 -0.22 -0.00 0.00 0.27 0.00 0.00 38.32 39.80 1ehx h ASN 58 CO -0.20 0.91 -0.12 0.71 -0.37 0.00 0.00 177.43 178.35 1ehx h THR 59 N 0.78 0.23 -2.09 -3.57 1.35 0.60 -3.35 112.91 106.86 1ehx h THR 59 Ca 0.14 -1.12 -0.59 0.00 -0.55 0.00 0.00 66.41 64.29 1ehx h THR 59 Cb 0.51 1.93 0.19 0.00 -1.73 0.00 0.00 68.15 69.05 1ehx h THR 59 CO 0.03 0.12 -1.19 0.18 -0.25 0.00 0.00 175.52 174.40 1ehx n LEU 60 N -3.16 -3.63 0.00 3.87 7.99 -0.19 -4.94 117.00 116.94 1ehx n LEU 60 Ca 0.02 0.59 0.00 0.00 -0.01 0.00 0.00 56.01 56.61 1ehx n LEU 60 Cb 0.50 -0.87 0.00 0.00 -0.11 0.00 0.00 43.42 42.95 1ehx n LEU 60 CO 0.34 -4.82 0.00 -2.65 -1.51 0.00 0.00 177.39 168.74 1ehx n PRO 61 N 1.49 0.21 0.00 3.23 -0.02 -1.26 -4.94 135.00 133.71 1ehx n PRO 61 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1ehx n PRO 61 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 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 -0.68 -0.78 -0.97 -0.52 0.28 -1.26 -4.56 120.64 112.16 1ehx n GLU 62 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ehx n GLU 62 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1ehx n GLU 62 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1ehx n ASN 63 N -2.67 -0.96 -4.33 -1.84 5.15 -1.10 -4.53 115.26 104.99 1ehx n ASN 63 Ca 0.00 -0.49 -0.29 0.00 -0.60 0.00 0.00 54.58 53.20 1ehx n ASN 63 Cb 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.11 1ehx n ASN 63 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1ehx s THR 64 N 2.89 2.04 -1.03 -0.44 -4.23 0.22 -4.90 115.64 110.19 1ehx s THR 64 Ca 0.00 -1.40 -0.15 0.00 -1.18 0.00 0.00 61.69 58.96 1ehx s THR 64 Cb 0.00 -1.76 0.17 0.00 1.34 0.00 0.00 72.50 72.25 1ehx s THR 64 CO 0.00 0.29 1.18 0.28 -0.54 0.00 0.00 174.62 175.83 1ehx s THR 65 N -0.84 5.11 -0.79 3.99 -1.32 -1.25 0.33 115.64 120.87 1ehx s THR 65 Ca 0.11 -2.29 -0.25 0.00 -1.21 0.00 0.00 61.69 58.05 1ehx s THR 65 Cb -0.10 -4.76 -0.08 0.00 -1.51 0.00 0.00 72.50 66.06 1ehx s THR 65 CO 0.03 -1.44 2.13 -0.75 -2.21 0.00 0.00 174.62 172.38 1ehx s LYS 66 N 1.47 2.20 -0.00 7.08 2.47 0.44 -4.44 119.74 128.95 1ehx s LYS 66 Ca 0.34 0.24 -0.30 0.00 -1.56 0.00 0.00 55.97 54.69 1ehx s LYS 66 Cb -0.05 -4.84 -0.03 0.00 -1.46 0.00 0.00 37.83 31.44 1ehx s LYS 66 CO -0.06 -3.65 1.01 -0.08 0.16 0.00 0.00 175.35 172.73 1ehx s THR 67 N 11.74 4.77 -0.61 3.43 -1.32 -1.26 -0.52 115.64 131.87 1ehx s THR 67 Ca 0.80 1.99 -0.13 0.00 -1.21 0.00 0.00 61.69 63.14 1ehx s THR 67 Cb -0.10 -4.28 0.15 0.00 -1.51 0.00 0.00 72.50 66.76 1ehx s THR 67 CO 0.07 0.14 0.54 -1.48 -2.21 0.00 0.00 174.62 171.69 1ehx s LEU 68 N 1.10 6.21 -0.55 9.08 2.34 0.11 -4.72 118.68 132.25 1ehx s LEU 68 Ca 0.52 -2.12 -0.16 0.00 0.06 0.00 0.00 54.13 52.43 1ehx s LEU 68 Cb -0.22 -2.15 0.13 0.00 -0.56 0.00 0.00 46.19 43.39 1ehx s LEU 68 CO 0.27 -0.72 0.54 -0.89 -1.06 0.00 0.00 176.35 174.49 1ehx s THR 69 N 1.06 5.15 -0.28 5.48 2.01 -1.26 -1.18 115.64 126.62 1ehx s THR 69 Ca 0.08 -1.43 -0.29 0.00 0.31 0.00 0.00 61.69 60.37 1ehx s THR 69 Cb -0.23 -4.37 -0.02 0.00 0.01 0.00 0.00 72.50 67.89 1ehx s THR 69 CO -0.01 -0.92 1.65 -0.36 -0.69 0.00 0.00 174.62 174.29 1ehx s PHE 70 N 1.76 2.04 -0.59 4.92 0.08 -1.17 -4.31 117.98 120.71 1ehx s PHE 70 Ca 0.05 0.58 -0.27 0.00 0.12 0.00 0.00 56.93 57.42 1ehx s PHE 70 Cb -0.29 -4.07 -0.02 0.00 -0.57 0.00 0.00 43.02 38.07 1ehx s PHE 70 CO 0.03 -2.83 1.87 0.34 -0.10 0.00 0.00 175.22 174.53 1ehx s ASP 71 N 4.78 5.28 -0.16 1.36 2.15 -0.43 -4.23 116.67 125.42 1ehx s ASP 71 Ca 0.73 0.40 0.08 0.00 0.43 0.00 0.00 52.55 54.19 1ehx s ASP 71 Cb -0.23 -2.53 0.48 0.00 -0.30 0.00 0.00 42.92 40.35 1ehx s ASP 71 CO 0.31 -2.36 1.30 0.49 -0.17 0.00 0.00 175.17 174.74 1ehx n PHE 72 N 12.71 1.35 -0.81 -5.34 3.72 -1.26 -0.08 117.46 127.74 1ehx n PHE 72 Ca 0.21 -0.56 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 1ehx n PHE 72 Cb 0.52 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 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 0.26 0.19 0.56 1.37 0.00 -1.26 -4.52 105.19 101.79 1ehx n GLY 73 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.13 0.00 0.00 1.61 0.24 -1.26 -5.02 118.33 111.77 1ehx n VAL 74 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ehx n VAL 74 Cb 0.19 -0.98 0.00 0.00 -1.47 0.00 0.00 33.84 31.58 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 3.13 1.39 0.00 7.63 0.00 -1.26 -4.79 105.19 111.29 1ehx n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.00 1.28 2.61 -1.04 -1.26 -2.65 114.28 113.22 1ehx n THR 76 Ca 0.00 1.32 0.04 0.00 -2.04 0.00 0.00 64.05 63.37 1ehx n THR 76 Cb 0.00 -2.15 0.12 0.00 -1.82 0.00 0.00 70.33 66.48 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 -1.74 1.53 -1.51 -2.82 0.00 -1.26 -4.94 118.16 107.42 1ehx n LYS 77 Ca 0.00 -0.83 -0.50 0.00 -0.00 0.00 0.00 58.31 56.98 1ehx n LYS 77 Cb 0.00 -1.19 -0.04 0.00 -0.00 0.00 0.00 35.03 33.80 1ehx n LYS 77 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1ehx n ASN 78 N 0.16 0.29 -4.51 -5.58 2.85 -1.08 -4.84 115.26 102.56 1ehx n ASN 78 Ca 0.08 1.15 -0.43 0.00 -0.11 0.00 0.00 54.58 55.27 1ehx n ASN 78 Cb 0.20 -1.09 -0.02 0.00 1.24 0.00 0.00 39.78 40.11 1ehx n ASN 78 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1ehx s PRO 79 N -0.64 3.75 -0.43 1.20 0.05 -1.26 -4.94 135.00 132.72 1ehx s PRO 79 Ca 0.72 -1.76 -0.16 0.00 0.05 0.00 0.00 61.00 59.85 1ehx s PRO 79 Cb -0.94 -5.18 0.04 0.00 0.05 0.00 0.00 34.50 28.48 1ehx s PRO 79 CO 0.55 -1.98 0.37 -1.59 0.05 0.00 0.00 177.00 174.40 1ehx s LYS 80 N 3.40 3.00 0.53 4.56 0.00 -1.26 -3.02 119.74 126.95 1ehx s LYS 80 Ca 0.42 -1.06 0.03 0.00 0.00 0.00 0.00 55.97 55.36 1ehx s LYS 80 Cb -0.02 -4.03 0.03 0.00 0.00 0.00 0.00 37.83 33.82 1ehx s LYS 80 CO -0.05 -0.87 0.74 -0.51 0.00 0.00 0.00 175.35 174.65 1ehx s LEU 81 N 1.80 3.34 -0.15 2.77 1.43 -0.33 -4.84 118.68 122.70 1ehx s LEU 81 Ca 0.07 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1ehx s LEU 81 Cb -0.20 -2.79 0.03 0.00 0.03 0.00 0.00 46.19 43.26 1ehx s LEU 81 CO 0.10 -1.08 -0.10 0.42 0.23 0.00 0.00 176.35 175.91 1ehx s THR 82 N -2.68 1.37 -0.53 5.49 -4.23 -0.07 0.06 115.64 115.04 1ehx s THR 82 Ca 0.57 -0.63 -0.12 0.00 -1.18 0.00 0.00 61.69 60.33 1ehx s THR 82 Cb -0.10 -1.39 0.13 0.00 1.34 0.00 0.00 72.50 72.48 1ehx s THR 82 CO 0.37 0.31 0.45 -0.63 -0.54 0.00 0.00 174.62 174.58 1ehx s ILE 83 N 1.55 4.72 -1.04 2.99 -1.09 0.32 -1.20 121.20 127.45 1ehx s ILE 83 Ca 0.03 -1.77 -0.23 0.00 -2.23 0.00 0.00 60.65 56.45 1ehx s ILE 83 Cb -0.14 -4.05 0.01 0.00 -1.58 0.00 0.00 42.46 36.70 1ehx s ILE 83 CO -0.09 -0.84 1.68 -0.89 -1.23 0.00 0.00 174.94 173.57 1ehx s THR 84 N 1.31 3.78 -0.24 2.92 2.01 0.97 0.17 115.64 126.56 1ehx s THR 84 Ca 0.06 -0.81 -0.17 0.00 0.31 0.00 0.00 61.69 61.07 1ehx s THR 84 Cb -0.26 -4.73 -0.03 0.00 0.01 0.00 0.00 72.50 67.49 1ehx s THR 84 CO 0.00 -1.58 0.48 0.54 -0.69 0.00 0.00 174.62 173.37 1ehx s VAL 85 N 6.89 5.11 -0.26 3.82 0.11 0.15 -1.01 120.40 135.20 1ehx s VAL 85 Ca 0.56 0.84 -0.03 0.00 -2.93 0.00 0.00 61.98 60.42 1ehx s VAL 85 Cb -0.01 -3.80 0.09 0.00 -1.53 0.00 0.00 36.38 31.12 1ehx s VAL 85 CO -0.03 0.14 0.10 -1.48 -3.33 0.00 0.00 175.10 170.50 1ehx s LEU 86 N 1.97 1.16 0.19 2.54 2.34 -0.51 0.70 118.68 127.07 1ehx s LEU 86 Ca 0.21 -1.23 0.05 0.00 0.06 0.00 0.00 54.13 53.21 1ehx s LEU 86 Cb -0.15 -0.54 0.07 0.00 -0.56 0.00 0.00 46.19 45.01 1ehx s LEU 86 CO 0.09 -0.40 1.44 1.55 -1.06 0.00 0.00 176.35 177.97 1ehx h PRO 87 N 8.28 0.13 -6.84 1.48 0.13 -1.85 -2.91 132.00 130.43 1ehx h PRO 87 Ca -0.17 -0.14 -0.53 0.00 -0.87 0.00 0.00 66.00 64.30 1ehx h PRO 87 Cb 1.05 0.04 0.07 0.00 0.13 0.00 0.00 31.00 32.28 1ehx h PRO 87 CO 0.41 0.87 0.71 -1.59 -0.23 0.00 0.00 178.00 178.17 1ehx s LYS 88 N -3.29 4.28 0.16 0.86 -2.85 -1.26 -4.76 119.74 112.88 1ehx s LYS 88 Ca -0.02 2.31 -0.11 0.00 -1.00 0.00 0.00 55.97 57.15 1ehx s LYS 88 Cb 0.11 -3.07 -0.00 0.00 -2.06 0.00 0.00 37.83 32.81 1ehx s LYS 88 CO 0.81 -0.33 0.32 0.34 0.10 0.00 0.00 175.35 176.59 1ehx s ASP 89 N -0.10 -0.01 -0.11 0.03 2.15 -1.26 -5.00 116.67 112.36 1ehx s ASP 89 Ca 0.54 -0.78 -0.09 0.00 0.43 0.00 0.00 52.55 52.64 1ehx s ASP 89 Cb -0.42 0.46 -0.04 0.00 -0.30 0.00 0.00 42.92 42.61 1ehx s ASP 89 CO 0.51 -0.91 0.20 -0.63 -0.17 0.00 0.00 175.17 174.16 1ehx s ILE 90 N -3.94 5.39 -0.23 4.11 -1.09 -1.26 -5.05 121.20 119.13 1ehx s ILE 90 Ca 0.15 0.35 -0.29 0.00 -2.23 0.00 0.00 60.65 58.62 1ehx s ILE 90 Cb 0.03 -3.49 -0.02 0.00 -1.58 0.00 0.00 42.46 37.40 1ehx s ILE 90 CO -0.01 0.57 1.63 -2.16 -1.23 0.00 0.00 174.94 173.73 1ehx s PRO 91 N -0.70 3.75 -0.02 2.79 0.04 -1.26 -4.67 135.00 134.92 1ehx s PRO 91 Ca 0.16 1.63 0.01 0.00 0.04 0.00 0.00 61.00 62.83 1ehx s PRO 91 Cb -0.13 -4.05 0.03 0.00 0.04 0.00 0.00 34.50 30.39 1ehx s PRO 91 CO 0.05 -1.35 0.44 0.41 0.04 0.00 0.00 177.00 176.59 1ehx n GLY 92 N 4.73 -0.11 2.45 0.56 0.00 -1.26 -4.98 105.19 106.58 1ehx n GLY 92 Ca 0.19 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 1ehx n GLY 92 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ehx n LEU 93 N -0.10 -2.35 0.00 0.99 -0.00 -1.26 -5.34 117.00 108.95 1ehx n LEU 93 Ca -0.09 -0.19 0.00 0.00 -0.00 0.00 0.00 56.01 55.72 1ehx n LEU 93 Cb 0.45 -1.76 0.00 0.00 -0.00 0.00 0.00 43.42 42.11 1ehx n LEU 93 CO -0.05 0.20 0.00 -1.84 -0.00 0.00 0.00 177.39 175.70