#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xew n PRO 2 N 0.00 0.59 -3.63 0.03 -0.04 -1.26 -5.02 135.00 125.66 1xew n PRO 2 Ca 0.00 -0.24 -0.12 0.00 -0.04 0.00 0.00 63.50 63.09 1xew n PRO 2 Cb 0.00 -0.86 -0.06 0.00 -0.04 0.00 0.00 33.50 32.54 1xew n PRO 2 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1xew s TYR 3 N -1.50 -0.29 -0.29 0.54 -0.85 -1.02 -5.00 117.35 108.94 1xew s TYR 3 Ca 0.11 0.20 -0.29 0.00 -0.52 0.00 0.00 57.07 56.57 1xew s TYR 3 Cb -0.02 0.27 0.01 0.00 0.38 0.00 0.00 41.96 42.60 1xew s TYR 3 CO 0.09 -0.63 1.07 0.42 -1.52 0.00 0.00 175.55 174.98 1xew s ILE 4 N -2.84 4.57 -0.05 -3.49 1.01 -1.26 0.03 121.20 119.16 1xew s ILE 4 Ca -0.03 1.84 -0.23 0.00 0.00 0.00 0.00 60.65 62.23 1xew s ILE 4 Cb -0.00 -4.37 -0.30 0.00 0.01 0.00 0.00 42.46 37.80 1xew s ILE 4 CO -0.05 -0.37 0.90 -0.33 0.00 0.00 0.00 174.94 175.10 1xew h GLU 5 N 7.87 0.26 -2.28 2.79 5.08 -0.77 -3.42 114.58 124.12 1xew h GLU 5 Ca -0.20 -0.42 0.17 0.00 -1.00 0.00 0.00 59.36 57.91 1xew h GLU 5 Cb 1.06 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 30.36 1xew h GLU 5 CO 1.01 1.18 0.50 -1.59 -1.00 0.00 0.00 179.01 179.12 1xew s LYS 6 N -2.51 1.06 -0.05 2.33 -2.85 -1.17 -1.62 119.74 114.93 1xew s LYS 6 Ca -0.14 -0.55 0.04 0.00 -1.00 0.00 0.00 55.97 54.32 1xew s LYS 6 Cb 0.01 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.16 1xew s LYS 6 CO 0.81 -0.48 -0.17 -1.17 0.10 0.00 0.00 175.35 174.44 1xew s LEU 7 N -2.83 1.87 -0.13 2.77 2.96 -0.62 -1.12 118.68 121.60 1xew s LEU 7 Ca 0.10 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1xew s LEU 7 Cb -0.01 -0.97 -0.01 0.00 0.50 0.00 0.00 46.19 45.70 1xew s LEU 7 CO -0.01 0.13 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.36 1xew s GLU 8 N 0.19 3.22 -0.02 1.98 2.02 0.44 0.14 118.70 126.68 1xew s GLU 8 Ca -0.07 -0.77 0.07 0.00 0.02 0.00 0.00 54.97 54.22 1xew s GLU 8 Cb -0.13 -2.52 -0.02 0.00 0.10 0.00 0.00 34.13 31.57 1xew s GLU 8 CO 0.03 0.14 -0.23 -0.51 0.02 0.00 0.00 175.26 174.71 1xew s LEU 9 N 0.49 2.04 -0.24 1.80 1.02 0.65 -0.89 118.68 123.54 1xew s LEU 9 Ca -0.12 -0.43 -0.03 0.00 0.02 0.00 0.00 54.13 53.57 1xew s LEU 9 Cb -0.16 -1.21 0.13 0.00 0.02 0.00 0.00 46.19 44.97 1xew s LEU 9 CO 0.05 0.28 0.42 -0.75 0.02 0.00 0.00 176.35 176.37 1xew s LYS 10 N -0.49 0.38 -0.61 1.70 2.20 -0.41 -0.34 119.74 122.16 1xew s LYS 10 Ca 0.07 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.38 1xew s LYS 10 Cb -0.10 -0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.04 1xew s LYS 10 CO -0.00 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 174.83 1xew n GLY 11 N 5.38 0.71 3.42 5.54 0.00 0.79 0.10 105.19 121.13 1xew n GLY 11 Ca -0.04 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1xew n GLY 11 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xew s PHE 12 N -2.24 3.23 0.00 1.61 2.19 -0.03 -4.11 117.98 118.64 1xew s PHE 12 Ca 0.00 -0.75 0.00 0.00 0.33 0.00 0.00 56.93 56.51 1xew s PHE 12 Cb 0.00 -2.47 0.00 0.00 -1.31 0.00 0.00 43.02 39.24 1xew s PHE 12 CO 0.00 -0.58 0.00 1.63 1.83 0.00 0.00 175.22 178.10 1xew n LYS 13 N 5.05 0.00 0.00 10.12 5.02 -1.26 -0.94 118.16 136.15 1xew n LYS 13 Ca -0.12 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.30 1xew n LYS 13 Cb 0.47 0.00 0.63 0.00 -0.02 0.00 0.00 35.03 36.11 1xew n LYS 13 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1xew n SER 14 N 5.96 0.00 -4.60 4.39 3.41 -1.26 -4.61 113.62 116.90 1xew n SER 14 Ca 0.00 -0.03 -0.40 0.00 -0.26 0.00 0.00 58.87 58.19 1xew n SER 14 Cb 0.00 -0.30 -0.08 0.00 -0.26 0.00 0.00 64.21 63.56 1xew n SER 14 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1xew s TYR 15 N -2.61 3.25 0.00 7.33 2.02 -0.11 -5.05 117.35 122.18 1xew s TYR 15 Ca 0.23 0.47 0.00 0.00 -0.37 0.00 0.00 57.07 57.40 1xew s TYR 15 Cb 0.17 -2.67 0.00 0.00 -0.40 0.00 0.00 41.96 39.06 1xew s TYR 15 CO 0.39 -0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.50 1xew n GLY 16 N 4.58 -1.73 0.20 0.71 0.00 -1.26 -0.85 105.19 106.85 1xew n GLY 16 Ca -0.06 -1.48 0.07 0.00 0.00 0.00 0.00 46.02 44.54 1xew n GLY 16 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1xew h ASN 17 N -0.10 0.00 -3.44 1.61 2.35 -1.95 0.23 115.58 114.28 1xew h ASN 17 Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 1xew h ASN 17 Cb 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.30 1xew h ASN 17 CO 0.00 0.32 0.78 -0.75 -1.65 0.00 0.00 177.43 176.13 1xew s LYS 18 N -3.76 3.94 0.27 0.81 2.20 -1.26 -4.77 119.74 117.16 1xew s LYS 18 Ca -0.01 0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 56.13 1xew s LYS 18 Cb 0.12 -3.79 -0.13 0.00 -1.51 0.00 0.00 37.83 32.51 1xew s LYS 18 CO 0.67 -1.00 1.29 1.17 -0.36 0.00 0.00 175.35 177.13 1xew n LYS 19 N 7.00 1.87 -4.28 4.03 4.81 -1.26 -4.88 118.16 125.44 1xew n LYS 19 Ca 0.10 0.66 -0.34 0.00 -0.87 0.00 0.00 58.31 57.86 1xew n LYS 19 Cb 0.48 -2.24 -0.12 0.00 0.02 0.00 0.00 35.03 33.16 1xew n LYS 19 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1xew s VAL 20 N -0.49 3.84 -0.24 3.15 1.01 0.54 -4.95 120.40 123.25 1xew s VAL 20 Ca 0.64 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.18 1xew s VAL 20 Cb -0.66 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1xew s VAL 20 CO 0.55 0.47 0.07 -0.69 0.00 0.00 0.00 175.10 175.50 1xew s VAL 21 N 0.64 4.35 -0.36 2.92 1.01 -1.26 -0.26 120.40 127.44 1xew s VAL 21 Ca -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1xew s VAL 21 Cb -0.14 -3.03 0.08 0.00 0.00 0.00 0.00 36.38 33.29 1xew s VAL 21 CO 0.02 0.35 0.10 -0.63 0.00 0.00 0.00 175.10 174.94 1xew s ILE 22 N 1.52 3.06 0.35 2.22 1.01 0.12 -4.99 121.20 124.50 1xew s ILE 22 Ca 0.06 -1.81 -0.25 0.00 0.00 0.00 0.00 60.65 58.65 1xew s ILE 22 Cb -0.15 -2.98 -0.10 0.00 0.01 0.00 0.00 42.46 39.24 1xew s ILE 22 CO 0.04 -0.44 0.96 -2.16 0.00 0.00 0.00 174.94 173.33 1xew s PRO 23 N 1.16 4.48 0.02 2.79 0.04 -1.26 -1.58 135.00 140.65 1xew s PRO 23 Ca 0.03 1.31 0.04 0.00 0.04 0.00 0.00 61.00 62.42 1xew s PRO 23 Cb -0.21 -2.66 -0.02 0.00 0.04 0.00 0.00 34.50 31.65 1xew s PRO 23 CO -0.03 0.18 -0.12 -0.06 0.04 0.00 0.00 177.00 177.01 1xew s PHE 24 N -1.73 1.04 0.60 0.56 0.40 -0.64 -4.97 117.98 113.24 1xew s PHE 24 Ca 0.53 -0.29 -0.16 0.00 -0.60 0.00 0.00 56.93 56.40 1xew s PHE 24 Cb -0.17 -0.64 -0.03 0.00 0.51 0.00 0.00 43.02 42.69 1xew s PHE 24 CO 0.22 0.00 1.08 0.45 0.70 0.00 0.00 175.22 177.67 1xew s SER 25 N -0.82 5.61 0.53 1.36 0.15 -1.26 -4.75 113.70 114.52 1xew s SER 25 Ca 0.01 1.92 0.31 0.00 0.70 0.00 0.00 55.95 58.89 1xew s SER 25 Cb -0.06 -2.55 1.43 0.00 -1.71 0.00 0.00 66.02 63.13 1xew s SER 25 CO 0.00 -1.29 2.03 0.50 1.20 0.00 0.00 173.24 175.69 1xew h LYS 26 N 0.48 0.00 0.00 5.44 3.64 -1.96 -3.42 116.57 120.75 1xew h LYS 26 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1xew h LYS 26 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1xew h LYS 26 CO 0.56 0.10 0.00 0.41 -2.27 0.00 0.00 179.45 178.25 1xew n GLY 27 N -0.34 0.52 3.37 5.01 0.00 -1.26 -5.02 105.19 107.47 1xew n GLY 27 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1xew n GLY 27 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xew s PHE 28 N 1.45 2.96 -0.08 1.61 5.99 -1.26 -5.09 117.98 123.56 1xew s PHE 28 Ca 0.00 -0.71 0.04 0.00 0.00 0.00 0.00 56.93 56.26 1xew s PHE 28 Cb 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 43.02 40.98 1xew s PHE 28 CO 0.00 -0.37 -0.21 0.99 -0.00 0.00 0.00 175.22 175.63 1xew s THR 29 N 1.06 1.78 -0.00 0.12 2.01 -1.26 -4.75 115.64 114.60 1xew s THR 29 Ca 0.01 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.15 1xew s THR 29 Cb -0.15 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 1xew s THR 29 CO 0.00 0.50 0.03 0.00 -0.69 0.00 0.00 174.62 174.46 1xew s ALA 30 N 0.29 3.40 -0.22 7.40 0.00 -1.26 -5.04 121.76 126.33 1xew s ALA 30 Ca -0.14 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1xew s ALA 30 Cb -0.16 -1.44 0.03 0.00 0.00 0.00 0.00 23.12 21.56 1xew s ALA 30 CO 0.06 0.66 -0.14 0.42 0.00 0.00 0.00 175.76 176.76 1xew s ILE 31 N -1.13 2.24 -0.17 0.00 1.01 -1.26 -5.11 121.20 116.78 1xew s ILE 31 Ca 0.21 -1.20 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 1xew s ILE 31 Cb -0.12 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1xew s ILE 31 CO 0.12 0.28 -0.06 -0.69 0.00 0.00 0.00 174.94 174.59 1xew s VAL 32 N 1.23 3.48 0.04 2.92 1.01 -1.26 -5.08 120.40 122.74 1xew s VAL 32 Ca -0.01 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 1xew s VAL 32 Cb -0.16 -2.53 0.09 0.00 0.00 0.00 0.00 36.38 33.78 1xew s VAL 32 CO -0.09 0.47 1.00 -0.83 0.00 0.00 0.00 175.10 175.65 1xew s GLY 33 N 0.78 -0.35 0.69 4.51 0.00 -1.26 -5.06 107.32 106.63 1xew s GLY 33 Ca -0.02 0.67 -0.11 0.00 0.00 0.00 0.00 44.72 45.26 1xew s GLY 33 CO 0.02 0.19 1.08 0.00 0.00 0.00 0.00 173.10 174.39 1xew s ALA 34 N -3.03 2.91 0.15 3.20 0.00 -1.26 -4.92 121.76 118.81 1xew s ALA 34 Ca 0.09 -0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.48 1xew s ALA 34 Cb -0.00 -3.05 -0.11 0.00 0.00 0.00 0.00 23.12 19.96 1xew s ALA 34 CO -0.03 -1.05 1.78 -0.80 0.00 0.00 0.00 175.76 175.65 1xew s ASN 35 N -4.28 6.42 0.00 0.00 0.01 -1.26 -0.95 114.94 114.88 1xew s ASN 35 Ca 0.57 2.78 0.00 0.00 -0.71 0.00 0.00 52.86 55.51 1xew s ASN 35 Cb -0.11 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.97 1xew s ASN 35 CO 0.53 -0.98 0.00 0.61 -1.51 0.00 0.00 177.10 175.74 1xew n GLY 36 N 4.13 0.74 0.23 0.66 0.00 -1.26 -4.94 105.19 104.75 1xew n GLY 36 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1xew n GLY 36 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xew h SER 37 N 0.00 0.00 0.00 1.61 4.64 -1.40 -3.46 113.55 114.94 1xew h SER 37 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xew h SER 37 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xew h SER 37 CO 0.00 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 1xew n GLY 38 N 0.68 0.80 0.31 -0.77 0.00 -1.26 -5.00 105.19 99.96 1xew n GLY 38 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1xew n GLY 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xew h LYS 39 N 2.62 0.83 0.00 1.61 2.10 -1.90 -2.19 116.57 119.63 1xew h LYS 39 Ca 0.00 -0.13 -0.09 0.00 -2.00 0.00 0.00 60.65 58.44 1xew h LYS 39 Cb 0.00 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.17 1xew h LYS 39 CO 0.00 0.68 -0.41 0.66 -2.00 0.00 0.00 179.45 178.38 1xew h SER 40 N 0.81 0.00 0.00 7.07 4.64 -1.94 -1.41 113.55 122.72 1xew h SER 40 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1xew h SER 40 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1xew h SER 40 CO -0.02 0.41 0.02 0.59 -0.87 0.00 0.00 176.83 176.96 1xew n ASN 41 N -3.52 0.28 0.01 4.97 5.03 -0.83 -1.28 115.26 119.91 1xew n ASN 41 Ca -0.00 0.62 -0.14 0.00 0.87 0.00 0.00 54.58 55.93 1xew n ASN 41 Cb 0.54 -0.65 -0.02 0.00 -1.02 0.00 0.00 39.78 38.63 1xew n ASN 41 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1xew h ILE 42 N 0.00 1.32 -0.39 2.41 2.04 -1.28 0.13 117.51 121.74 1xew h ILE 42 Ca 0.00 -2.05 -0.12 0.00 1.00 0.00 0.00 64.86 63.69 1xew h ILE 42 Cb 0.04 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1xew h ILE 42 CO 0.00 0.63 -0.25 1.23 0.00 0.00 0.00 178.15 179.76 1xew h GLY 43 N 0.91 0.87 1.21 5.37 0.00 -1.32 -2.41 103.07 107.69 1xew h GLY 43 Ca -0.04 -0.77 -0.09 0.00 0.00 0.00 0.00 47.33 46.43 1xew h GLY 43 CO 0.14 0.70 -0.04 -0.55 0.00 0.00 0.00 176.54 176.80 1xew h ASP 44 N 0.69 0.93 -0.21 0.19 3.32 -1.29 -2.40 116.42 117.65 1xew h ASP 44 Ca 0.09 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 1xew h ASP 44 Cb 0.78 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1xew h ASP 44 CO 0.06 1.00 -0.04 0.00 -1.72 0.00 0.00 179.24 178.55 1xew h ALA 45 N 1.09 1.31 -0.13 3.45 0.00 -0.85 -0.41 119.26 123.72 1xew h ALA 45 Ca 0.15 -0.23 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 1xew h ALA 45 Cb 0.56 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1xew h ALA 45 CO 0.03 0.46 -0.81 0.82 0.00 0.00 0.00 179.25 179.76 1xew h ILE 46 N 0.50 1.29 -0.45 0.00 2.04 -1.09 -1.92 117.51 117.88 1xew h ILE 46 Ca 0.10 -2.02 -0.08 0.00 1.00 0.00 0.00 64.86 63.87 1xew h ILE 46 Cb 0.39 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 1xew h ILE 46 CO 0.02 0.64 -0.03 -0.07 0.00 0.00 0.00 178.15 178.70 1xew h LEU 47 N 0.51 0.72 0.05 1.44 3.38 -1.16 -2.49 115.31 117.76 1xew h LEU 47 Ca -0.06 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1xew h LEU 47 Cb 1.43 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1xew h LEU 47 CO 0.16 0.81 -0.03 0.15 0.09 0.00 0.00 178.44 179.63 1xew h PHE 48 N 0.70 -0.07 0.00 1.13 3.04 -0.97 -2.83 116.94 117.94 1xew h PHE 48 Ca 0.13 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.05 1xew h PHE 48 Cb 0.47 0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.00 1xew h PHE 48 CO 0.02 0.11 -0.13 -0.24 -2.02 0.00 0.00 178.31 176.05 1xew h VAL 49 N -0.23 0.25 -0.07 1.41 3.04 -1.28 -2.93 116.25 116.44 1xew h VAL 49 Ca -0.01 -1.16 0.00 0.00 -1.01 0.00 0.00 66.70 64.52 1xew h VAL 49 Cb 0.21 1.95 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 1xew h VAL 49 CO 0.01 0.13 0.00 0.18 -1.01 0.00 0.00 177.57 176.88 1xew n LEU 50 N -3.17 1.58 0.00 3.16 4.77 -0.94 -4.89 117.00 117.51 1xew n LEU 50 Ca 0.02 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1xew n LEU 50 Cb 0.51 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1xew n LEU 50 CO 0.34 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1xew n GLY 51 N 1.16 0.65 0.31 -0.72 0.00 -1.08 -4.39 105.19 101.12 1xew n GLY 51 Ca 0.18 -0.34 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 1xew n GLY 51 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xew h GLY 52 N 0.00 0.85 -7.45 -0.02 0.00 -1.78 -3.40 103.07 91.28 1xew h GLY 52 Ca 0.00 -0.42 -0.72 0.00 0.00 0.00 0.00 47.33 46.19 1xew h GLY 52 CO 0.00 0.40 -0.40 0.48 0.00 0.00 0.00 176.54 177.02 1xew s LEU 53 N -9.47 5.23 0.72 3.11 2.34 -1.26 -5.08 118.68 114.28 1xew s LEU 53 Ca -0.10 -1.00 -0.13 0.00 0.06 0.00 0.00 54.13 52.97 1xew s LEU 53 Cb 0.16 -2.17 0.03 0.00 -0.56 0.00 0.00 46.19 43.65 1xew s LEU 53 CO 0.78 -0.50 1.10 -0.94 -1.06 0.00 0.00 176.35 175.73 1xew s SER 54 N 1.92 4.74 0.28 1.48 1.04 -1.26 -4.94 113.70 116.96 1xew s SER 54 Ca 0.05 1.91 0.02 0.00 0.48 0.00 0.00 55.95 58.41 1xew s SER 54 Cb -0.20 -2.54 0.58 0.00 0.10 0.00 0.00 66.02 63.96 1xew s SER 54 CO 0.09 -1.88 1.82 0.00 0.98 0.00 0.00 173.24 174.26 1xew h ALA 55 N -0.62 1.52 0.00 5.32 0.00 -1.96 -3.53 119.26 120.00 1xew h ALA 55 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xew h ALA 55 Cb 1.24 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1xew h ALA 55 CO 0.52 0.16 0.15 1.17 0.00 0.00 0.00 179.25 181.26 1xew n LYS 56 N -4.66 0.00 -0.22 0.00 4.81 -1.26 -4.97 118.16 111.86 1xew n LYS 56 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1xew n LYS 56 Cb 0.39 -0.84 0.00 0.00 0.02 0.00 0.00 35.03 34.61 1xew n LYS 56 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xew n ALA 77 N 1.93 -1.00 -3.04 3.14 0.00 -1.26 -5.25 120.51 115.03 1xew n ALA 77 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1xew n ALA 77 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 19.45 19.29 1xew n ALA 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xew n LYS 78 N -0.31 3.22 -3.55 0.00 4.81 -1.26 -4.91 118.16 116.16 1xew n LYS 78 Ca 0.00 -4.81 -0.14 0.00 -0.87 0.00 0.00 58.31 52.50 1xew n LYS 78 Cb 0.00 -2.26 -0.05 0.00 0.02 0.00 0.00 35.03 32.73 1xew n LYS 78 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 1xew s TYR 79 N -3.27 -0.49 -0.11 5.64 -0.85 -1.26 -4.37 117.35 112.63 1xew s TYR 79 Ca 0.46 0.83 -0.09 0.00 -0.52 0.00 0.00 57.07 57.75 1xew s TYR 79 Cb 0.24 0.44 -0.04 0.00 0.38 0.00 0.00 41.96 42.97 1xew s TYR 79 CO -0.10 -0.46 0.19 0.00 -1.52 0.00 0.00 175.55 173.65 1xew s ALA 80 N -1.19 3.82 -0.01 9.51 0.00 -0.14 -4.60 121.76 129.15 1xew s ALA 80 Ca -0.06 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1xew s ALA 80 Cb -0.00 -2.07 -0.01 0.00 0.00 0.00 0.00 23.12 21.04 1xew s ALA 80 CO 0.05 0.53 -0.08 -2.00 0.00 0.00 0.00 175.76 174.26 1xew s GLU 81 N -0.84 0.65 -0.03 0.00 2.12 0.12 -0.51 118.70 120.20 1xew s GLU 81 Ca 0.16 -0.28 0.02 0.00 0.36 0.00 0.00 54.97 55.22 1xew s GLU 81 Cb -0.13 -0.63 0.01 0.00 0.26 0.00 0.00 34.13 33.65 1xew s GLU 81 CO 0.05 0.17 -0.06 0.08 -0.54 0.00 0.00 175.26 174.96 1xew s VAL 82 N -0.17 0.55 -0.03 3.70 1.01 -0.69 -1.29 120.40 123.48 1xew s VAL 82 Ca 0.03 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1xew s VAL 82 Cb -0.03 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 1xew s VAL 82 CO -0.00 0.20 -0.15 0.00 0.00 0.00 0.00 175.10 175.15 1xew s ALA 83 N 0.53 1.33 -0.03 5.51 0.00 -0.07 -1.58 121.76 127.44 1xew s ALA 83 Ca -0.07 -0.63 0.07 0.00 0.00 0.00 0.00 51.96 51.33 1xew s ALA 83 Cb -0.11 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1xew s ALA 83 CO 0.00 0.28 -0.24 -1.50 0.00 0.00 0.00 175.76 174.30 1xew s ILE 84 N -0.12 2.23 -0.18 0.00 2.07 -0.36 -0.42 121.20 124.41 1xew s ILE 84 Ca 0.01 -1.04 -0.01 0.00 -1.41 0.00 0.00 60.65 58.20 1xew s ILE 84 Cb -0.09 -1.79 -0.00 0.00 0.13 0.00 0.00 42.46 40.71 1xew s ILE 84 CO 0.01 0.58 -0.11 -0.31 -1.91 0.00 0.00 174.94 173.20 1xew s TYR 85 N -0.56 2.86 -0.05 3.50 2.02 -0.27 -1.53 117.35 123.33 1xew s TYR 85 Ca 0.08 -1.04 0.03 0.00 -0.37 0.00 0.00 57.07 55.77 1xew s TYR 85 Cb -0.11 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.45 1xew s TYR 85 CO -0.00 -0.52 -0.13 -0.06 -1.57 0.00 0.00 175.55 173.27 1xew s PHE 86 N 1.11 2.75 -0.12 2.71 0.08 0.76 -0.06 117.98 125.21 1xew s PHE 86 Ca 0.01 -0.12 -0.26 0.00 0.12 0.00 0.00 56.93 56.68 1xew s PHE 86 Cb -0.14 -1.64 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 1xew s PHE 86 CO -0.03 0.22 0.84 1.21 -0.10 0.00 0.00 175.22 177.36 1xew s ASN 87 N -0.77 7.04 -0.23 1.36 3.84 0.10 -0.58 114.94 125.71 1xew s ASN 87 Ca 0.12 1.28 0.10 0.00 0.21 0.00 0.00 52.86 54.57 1xew s ASN 87 Cb -0.11 -2.47 0.43 0.00 -0.55 0.00 0.00 41.25 38.55 1xew s ASN 87 CO 0.01 -0.32 1.21 -3.20 -2.79 0.00 0.00 177.10 172.01 1xew n ASN 88 N 4.70 2.45 0.21 -4.21 5.15 0.02 -2.45 115.26 121.14 1xew n ASN 88 Ca 0.04 -3.83 0.06 0.00 -0.60 0.00 0.00 54.58 50.24 1xew n ASN 88 Cb 0.50 -0.48 0.54 0.00 -0.53 0.00 0.00 39.78 39.80 1xew n ASN 88 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1xew h GLU 89 N 1.28 0.06 -0.00 1.20 5.08 -1.84 0.16 114.58 120.53 1xew h GLU 89 Ca 0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1xew h GLU 89 Cb 1.14 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1xew h GLU 89 CO 0.18 0.15 -0.04 -0.40 -1.00 0.00 0.00 179.01 177.90 1xew n ASP 90 N -4.41 0.23 -3.18 1.42 5.68 -1.26 -4.92 116.55 110.11 1xew n ASP 90 Ca -0.02 -0.54 -0.23 0.00 -0.50 0.00 0.00 54.79 53.50 1xew n ASP 90 Cb 0.18 -0.13 0.05 0.00 -1.14 0.00 0.00 41.12 40.07 1xew n ASP 90 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1xew n ARG 91 N -1.05 -6.01 0.21 0.11 5.12 0.58 -4.89 116.66 110.73 1xew n ARG 91 Ca 0.17 0.86 0.05 0.00 -1.93 0.00 0.00 57.85 57.01 1xew n ARG 91 Cb 0.23 -5.76 0.45 0.00 -1.16 0.00 0.00 32.46 26.22 1xew n ARG 91 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1xew h GLY 92 N -1.88 0.00 -4.84 -0.13 0.00 -1.92 -3.42 103.07 90.90 1xew h GLY 92 Ca -0.54 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.19 1xew h GLY 92 CO 0.56 0.00 -0.18 -1.36 0.00 0.00 0.00 176.54 175.56 1xew s PHE 93 N -4.14 3.71 0.00 5.60 0.40 -1.26 -3.98 117.98 118.31 1xew s PHE 93 Ca -0.02 1.01 -0.03 0.00 -0.60 0.00 0.00 56.93 57.28 1xew s PHE 93 Cb 0.14 -2.30 -0.14 0.00 0.51 0.00 0.00 43.02 41.22 1xew s PHE 93 CO 0.69 0.61 2.17 -0.35 0.70 0.00 0.00 175.22 179.03 1xew n PRO 94 N 1.61 1.08 -3.86 0.24 -0.04 -1.26 -4.73 135.00 128.04 1xew n PRO 94 Ca -0.12 -0.52 -0.22 0.00 -0.04 0.00 0.00 63.50 62.60 1xew n PRO 94 Cb 0.52 -1.75 -0.17 0.00 -0.04 0.00 0.00 33.50 32.06 1xew n PRO 94 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xew s ILE 95 N 1.84 0.36 -1.58 0.52 1.01 -1.26 -5.05 121.20 117.04 1xew s ILE 95 Ca 0.35 0.09 -0.10 0.00 0.00 0.00 0.00 60.65 60.99 1xew s ILE 95 Cb 0.17 -0.49 -0.06 0.00 0.01 0.00 0.00 42.46 42.09 1xew s ILE 95 CO 0.00 0.24 2.85 -0.67 0.00 0.00 0.00 174.94 177.36 1xew n ASP 96 N 4.83 8.37 -3.87 3.58 4.64 -1.26 -4.76 116.55 128.07 1xew n ASP 96 Ca -0.13 -2.66 -0.11 0.00 -1.38 0.00 0.00 54.79 50.52 1xew n ASP 96 Cb 0.50 -1.54 -0.11 0.00 -1.04 0.00 0.00 41.12 38.93 1xew n ASP 96 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1xew s GLU 97 N 1.85 0.30 0.17 -0.67 2.02 -1.26 -5.04 118.70 116.06 1xew s GLU 97 Ca 0.67 -0.20 0.18 0.00 0.02 0.00 0.00 54.97 55.63 1xew s GLU 97 Cb 0.18 0.13 0.79 0.00 0.10 0.00 0.00 34.13 35.32 1xew s GLU 97 CO -0.07 -0.06 1.54 -0.25 0.02 0.00 0.00 175.26 176.45 1xew n ASP 98 N 2.15 0.38 -3.92 -0.19 8.00 -1.26 -4.57 116.55 117.14 1xew n ASP 98 Ca -0.19 0.62 -0.14 0.00 0.71 0.00 0.00 54.79 55.79 1xew n ASP 98 Cb 0.57 -0.69 -0.14 0.00 -0.02 0.00 0.00 41.12 40.84 1xew n ASP 98 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1xew s GLU 99 N -3.23 0.26 -0.13 -1.24 2.12 -1.26 -0.80 118.70 114.42 1xew s GLU 99 Ca 0.03 -0.11 -0.00 0.00 0.36 0.00 0.00 54.97 55.25 1xew s GLU 99 Cb 0.08 -0.26 0.02 0.00 0.26 0.00 0.00 34.13 34.23 1xew s GLU 99 CO 0.27 0.06 -0.11 0.08 -0.54 0.00 0.00 175.26 175.03 1xew s VAL 100 N -0.04 1.27 -0.19 3.70 1.01 0.25 -4.88 120.40 121.52 1xew s VAL 100 Ca 0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1xew s VAL 100 Cb -0.02 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.13 1xew s VAL 100 CO -0.00 0.41 -0.14 -0.69 0.00 0.00 0.00 175.10 174.68 1xew s VAL 101 N 1.60 2.63 -0.33 2.92 1.01 -1.26 -0.17 120.40 126.80 1xew s VAL 101 Ca 0.05 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 1xew s VAL 101 Cb -0.13 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.13 1xew s VAL 101 CO -0.09 0.49 0.13 -0.63 0.00 0.00 0.00 175.10 175.00 1xew s ILE 102 N 1.27 4.09 -0.07 2.22 1.01 -0.58 -0.51 121.20 128.63 1xew s ILE 102 Ca 0.03 -0.89 0.02 0.00 0.00 0.00 0.00 60.65 59.81 1xew s ILE 102 Cb -0.14 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 1xew s ILE 102 CO -0.07 -0.10 -0.11 -0.60 0.00 0.00 0.00 174.94 174.05 1xew s ARG 103 N 1.48 2.79 -0.04 2.79 3.52 -0.19 -1.22 118.95 128.08 1xew s ARG 103 Ca 0.01 -0.64 -0.01 0.00 -0.13 0.00 0.00 55.73 54.95 1xew s ARG 103 Cb -0.19 -2.51 0.03 0.00 -1.56 0.00 0.00 34.95 30.73 1xew s ARG 103 CO 0.04 0.54 0.07 0.50 -0.81 0.00 0.00 175.30 175.64 1xew s ARG 104 N -0.50 -0.01 -0.13 5.12 3.52 -0.62 -0.53 118.95 125.81 1xew s ARG 104 Ca 0.07 0.30 0.01 0.00 -0.13 0.00 0.00 55.73 55.98 1xew s ARG 104 Cb -0.12 -0.28 0.02 0.00 -1.56 0.00 0.00 34.95 33.01 1xew s ARG 104 CO 0.02 -0.21 -0.16 1.03 -0.81 0.00 0.00 175.30 175.17 1xew s ARG 105 N 1.40 2.41 -0.18 5.12 0.52 -0.22 -1.71 118.95 126.30 1xew s ARG 105 Ca -0.05 -0.62 -0.13 0.00 -0.52 0.00 0.00 55.73 54.41 1xew s ARG 105 Cb -0.12 -2.07 -0.05 0.00 0.52 0.00 0.00 34.95 33.23 1xew s ARG 105 CO -0.04 -0.11 0.24 0.14 0.02 0.00 0.00 175.30 175.55 1xew s VAL 106 N 1.11 5.34 0.57 3.52 -7.23 0.33 -2.40 120.40 121.64 1xew s VAL 106 Ca -0.03 0.44 0.00 0.00 -1.81 0.00 0.00 61.98 60.58 1xew s VAL 106 Cb -0.14 -3.58 0.04 0.00 0.56 0.00 0.00 36.38 33.25 1xew s VAL 106 CO -0.05 0.40 0.81 -0.31 -0.31 0.00 0.00 175.10 175.64 1xew s TYR 107 N 0.47 2.85 0.27 2.82 1.51 0.39 -0.97 117.35 124.69 1xew s TYR 107 Ca 0.14 0.04 0.00 0.00 -1.01 0.00 0.00 57.07 56.24 1xew s TYR 107 Cb -0.12 -2.82 0.37 0.00 -0.11 0.00 0.00 41.96 39.28 1xew s TYR 107 CO 0.02 -0.96 1.74 -1.35 -1.11 0.00 0.00 175.55 173.89 1xew h PRO 108 N -0.03 0.63 0.00 -1.71 0.11 -1.88 -2.55 132.00 126.57 1xew h PRO 108 Ca -0.42 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.48 1xew h PRO 108 Cb 1.30 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1xew h PRO 108 CO 0.53 0.75 0.00 -0.40 -0.21 0.00 0.00 178.00 178.67 1xew n ASP 109 N -4.17 0.00 0.00 -2.05 5.75 -1.26 -4.86 116.55 109.96 1xew n ASP 109 Ca 0.01 -0.22 0.00 0.00 -0.01 0.00 0.00 54.79 54.57 1xew n ASP 109 Cb 0.36 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1xew n ASP 109 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xew n GLY 110 N 0.37 0.13 3.75 6.12 0.00 -0.96 -5.08 105.19 109.52 1xew n GLY 110 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1xew n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xew s ARG 111 N -0.96 2.33 -0.03 1.61 0.52 -1.26 -4.72 118.95 116.44 1xew s ARG 111 Ca 0.00 1.39 0.01 0.00 -0.52 0.00 0.00 55.73 56.62 1xew s ARG 111 Cb 0.00 -1.89 0.02 0.00 0.52 0.00 0.00 34.95 33.60 1xew s ARG 111 CO 0.00 -1.62 -0.04 0.45 0.02 0.00 0.00 175.30 174.11 1xew s SER 112 N -2.77 0.72 0.08 0.23 0.15 -1.26 -0.46 113.70 110.39 1xew s SER 112 Ca 0.66 -0.09 0.05 0.00 0.70 0.00 0.00 55.95 57.27 1xew s SER 112 Cb -0.21 -0.30 -0.03 0.00 -1.71 0.00 0.00 66.02 63.76 1xew s SER 112 CO 0.49 -0.04 -0.14 -0.44 1.20 0.00 0.00 173.24 174.30 1xew s SER 113 N 0.69 1.76 0.20 5.45 0.01 -1.01 -5.00 113.70 115.81 1xew s SER 113 Ca -0.08 -0.65 0.11 0.00 1.31 0.00 0.00 55.95 56.63 1xew s SER 113 Cb -0.12 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 1xew s SER 113 CO -0.00 -0.08 -0.22 -0.31 0.41 0.00 0.00 173.24 173.04 1xew s TYR 114 N -1.40 2.16 0.03 2.43 1.51 -1.25 -1.06 117.35 119.78 1xew s TYR 114 Ca -0.00 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.68 1xew s TYR 114 Cb -0.09 -1.05 -0.02 0.00 -0.11 0.00 0.00 41.96 40.69 1xew s TYR 114 CO 0.02 0.49 -0.05 -1.58 -1.11 0.00 0.00 175.55 173.32 1xew s TRP 115 N -1.94 0.45 -0.16 2.71 0.51 0.31 -1.68 118.94 119.14 1xew s TRP 115 Ca 0.21 -0.56 -0.01 0.00 -2.12 0.00 0.00 56.10 53.62 1xew s TRP 115 Cb -0.07 -0.29 0.05 0.00 -0.81 0.00 0.00 33.47 32.35 1xew s TRP 115 CO 0.10 -0.16 -0.02 -1.17 -0.51 0.00 0.00 176.95 175.19 1xew s LEU 116 N -1.63 1.42 -1.41 2.99 2.96 0.86 -1.02 118.68 122.84 1xew s LEU 116 Ca -0.12 -0.66 -0.03 0.00 -0.22 0.00 0.00 54.13 53.11 1xew s LEU 116 Cb -0.09 -0.78 0.02 0.00 0.50 0.00 0.00 46.19 45.85 1xew s LEU 116 CO -0.01 -0.22 0.61 0.59 -1.32 0.00 0.00 176.35 176.00 1xew n ASN 117 N 4.95 -1.36 0.00 3.68 3.02 0.34 -1.85 115.26 124.03 1xew n ASN 117 Ca -0.10 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 1xew n ASN 117 Cb 0.48 -3.50 0.00 0.00 -0.61 0.00 0.00 39.78 36.14 1xew n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xew n GLY 118 N -1.76 2.62 3.78 7.41 0.00 -1.26 -5.00 105.19 110.97 1xew n GLY 118 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1xew n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xew s ARG 119 N -0.15 3.27 0.43 1.61 0.52 -0.77 -5.04 118.95 118.83 1xew s ARG 119 Ca 0.00 -0.27 -0.26 0.00 -0.52 0.00 0.00 55.73 54.68 1xew s ARG 119 Cb 0.00 -3.02 -0.09 0.00 0.52 0.00 0.00 34.95 32.36 1xew s ARG 119 CO 0.00 0.71 1.46 1.03 0.02 0.00 0.00 175.30 178.53 1xew s ARG 120 N -0.87 3.80 0.07 3.54 0.52 -1.26 -0.10 118.95 124.65 1xew s ARG 120 Ca 0.13 2.50 -0.07 0.00 -0.52 0.00 0.00 55.73 57.78 1xew s ARG 120 Cb -0.12 -2.75 -0.01 0.00 0.52 0.00 0.00 34.95 32.59 1xew s ARG 120 CO 0.03 -0.76 0.14 0.00 0.02 0.00 0.00 175.30 174.73 1xew s ALA 121 N -1.17 -0.08 0.44 2.13 0.00 -0.68 -4.74 121.76 117.67 1xew s ALA 121 Ca 0.59 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.88 1xew s ALA 121 Cb -0.45 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1xew s ALA 121 CO 0.60 -0.46 0.62 0.95 0.00 0.00 0.00 175.76 177.46 1xew s THR 122 N -3.73 3.40 0.13 0.00 -4.23 -1.26 -3.84 115.64 106.12 1xew s THR 122 Ca 0.04 -0.81 -0.12 0.00 -1.18 0.00 0.00 61.69 59.62 1xew s THR 122 Cb 0.05 -3.21 -0.04 0.00 1.34 0.00 0.00 72.50 70.64 1xew s THR 122 CO -0.10 -0.11 1.48 -0.09 -0.54 0.00 0.00 174.62 175.26 1xew h ARG 123 N 0.51 0.89 -0.72 3.99 2.43 -1.97 -0.88 114.38 118.63 1xew h ARG 123 Ca -0.43 -0.43 0.01 0.00 -0.81 0.00 0.00 59.98 58.31 1xew h ARG 123 Cb 1.27 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.79 1xew h ARG 123 CO 0.51 1.08 0.48 1.03 -1.51 0.00 0.00 179.97 181.56 1xew h SER 124 N 0.70 0.83 0.14 -3.80 0.87 -1.99 0.32 113.55 110.62 1xew h SER 124 Ca 0.07 -0.02 -0.22 0.00 -1.23 0.00 0.00 61.79 60.39 1xew h SER 124 Cb 0.88 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1xew h SER 124 CO 0.08 0.60 -0.85 -0.33 -0.53 0.00 0.00 176.83 175.80 1xew h GLU 125 N 0.98 0.55 -0.24 2.24 5.08 -1.77 -2.80 114.58 118.62 1xew h GLU 125 Ca 0.26 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1xew h GLU 125 Cb -0.11 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1xew h GLU 125 CO -0.06 1.13 0.16 0.82 -1.00 0.00 0.00 179.01 180.06 1xew h ILE 126 N 0.35 1.06 -0.43 3.13 1.08 -0.45 -0.92 117.51 121.33 1xew h ILE 126 Ca -0.07 -0.11 0.07 0.00 -0.39 0.00 0.00 64.86 64.36 1xew h ILE 126 Cb 1.47 0.71 -0.06 0.00 -3.07 0.00 0.00 36.82 35.87 1xew h ILE 126 CO 0.16 0.06 0.09 -0.07 -0.69 0.00 0.00 178.15 177.70 1xew h LEU 127 N 0.32 0.02 -0.94 1.44 3.38 -0.95 0.70 115.31 119.28 1xew h LEU 127 Ca 0.09 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.15 1xew h LEU 127 Cb -0.03 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1xew h LEU 127 CO -0.02 0.05 0.62 0.44 0.09 0.00 0.00 178.44 179.61 1xew h ASP 128 N 0.23 1.04 -0.29 -0.43 3.32 -1.37 0.35 116.42 119.27 1xew h ASP 128 Ca 0.21 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1xew h ASP 128 Cb 0.26 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1xew h ASP 128 CO -0.27 0.73 0.09 0.40 -1.72 0.00 0.00 179.24 178.48 1xew h ILE 129 N 1.22 1.20 -0.34 0.35 2.04 -0.15 -2.10 117.51 119.73 1xew h ILE 129 Ca 0.36 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1xew h ILE 129 Cb -0.06 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1xew h ILE 129 CO -0.10 0.21 0.15 -0.07 0.00 0.00 0.00 178.15 178.34 1xew h LEU 130 N 0.31 0.45 -0.85 1.44 3.38 -0.03 -2.79 115.31 117.22 1xew h LEU 130 Ca 0.09 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.03 1xew h LEU 130 Cb 0.24 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 1xew h LEU 130 CO -0.00 0.47 0.48 0.74 0.09 0.00 0.00 178.44 180.22 1xew h THR 131 N 0.40 0.85 -0.16 0.22 2.02 -0.00 0.26 112.91 116.49 1xew h THR 131 Ca 0.11 -0.26 0.04 0.00 0.77 0.00 0.00 66.41 67.08 1xew h THR 131 Cb 0.15 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 1xew h THR 131 CO -0.01 0.14 0.12 0.00 0.37 0.00 0.00 175.52 176.13 1xew h ALA 132 N 1.50 2.14 -0.51 6.16 0.00 -1.14 0.07 119.26 127.47 1xew h ALA 132 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1xew h ALA 132 Cb 0.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xew h ALA 132 CO -0.29 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 178.78 1xew n ALA 133 N -2.57 2.42 -2.80 0.00 0.00 0.71 -4.84 120.51 113.43 1xew n ALA 133 Ca 0.01 -0.94 -0.11 0.00 0.00 0.00 0.00 53.44 52.40 1xew n ALA 133 Cb 0.24 -0.96 0.03 0.00 0.00 0.00 0.00 19.45 18.76 1xew n ALA 133 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1xew n MET 134 N 1.10 -3.05 -4.82 0.00 2.81 0.01 -4.87 117.12 108.31 1xew n MET 134 Ca 0.18 0.43 -0.27 0.00 -1.81 0.00 0.00 57.70 56.24 1xew n MET 134 Cb 0.47 -4.27 -0.15 0.00 -0.71 0.00 0.00 33.22 28.57 1xew n MET 134 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1xew s ILE 135 N -2.98 1.73 -0.17 2.02 1.01 -0.12 -4.99 121.20 117.70 1xew s ILE 135 Ca 0.21 -1.12 -0.22 0.00 0.00 0.00 0.00 60.65 59.52 1xew s ILE 135 Cb -0.09 -1.48 0.06 0.00 0.01 0.00 0.00 42.46 40.96 1xew s ILE 135 CO 0.26 0.32 0.58 -0.55 0.00 0.00 0.00 174.94 175.55 1xew s SER 136 N -0.94 -0.58 0.55 3.58 0.15 -1.26 -2.44 113.70 112.75 1xew s SER 136 Ca 0.08 1.01 0.30 0.00 0.70 0.00 0.00 55.95 58.04 1xew s SER 136 Cb -0.09 1.01 1.59 0.00 -1.71 0.00 0.00 66.02 66.83 1xew s SER 136 CO 0.01 -0.29 2.12 1.55 1.20 0.00 0.00 173.24 177.83 1xew h PRO 137 N 4.73 0.00 -0.28 5.44 0.13 -1.94 -1.50 132.00 138.58 1xew h PRO 137 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1xew h PRO 137 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xew h PRO 137 CO 0.20 0.08 0.00 -0.25 -0.23 0.00 0.00 178.00 177.80 1xew n ASP 138 N -3.58 2.03 -4.76 1.44 10.43 -1.26 -4.94 116.55 115.92 1xew n ASP 138 Ca -0.02 -1.84 -0.34 0.00 2.57 0.00 0.00 54.79 55.16 1xew n ASP 138 Cb 0.20 -0.18 0.05 0.00 1.84 0.00 0.00 41.12 43.03 1xew n ASP 138 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1xew s GLY 139 N -1.36 2.33 0.52 0.44 0.00 -0.57 -4.89 107.32 103.80 1xew s GLY 139 Ca 0.31 0.71 0.35 0.00 0.00 0.00 0.00 44.72 46.09 1xew s GLY 139 CO 0.24 1.08 2.05 -0.97 0.00 0.00 0.00 173.10 175.50 1xew h TYR 140 N 0.23 0.00 0.00 1.90 -1.99 -1.94 -2.80 116.97 112.36 1xew h TYR 140 Ca -0.48 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.25 1xew h TYR 140 Cb 1.27 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.00 1xew h TYR 140 CO 0.52 0.00 0.00 0.27 -0.00 0.00 0.00 178.16 178.95 1xew n ASN 141 N -2.86 0.00 -4.27 3.88 6.94 -1.26 -4.53 115.26 113.16 1xew n ASN 141 Ca -0.01 0.22 -0.37 0.00 -0.02 0.00 0.00 54.58 54.41 1xew n ASN 141 Cb 0.17 -0.39 -0.13 0.00 -2.36 0.00 0.00 39.78 37.07 1xew n ASN 141 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1xew s ILE 142 N -2.78 3.60 -0.40 1.53 1.01 -1.06 -5.04 121.20 118.06 1xew s ILE 142 Ca 0.16 -1.00 0.04 0.00 0.00 0.00 0.00 60.65 59.85 1xew s ILE 142 Cb 0.15 -2.95 0.11 0.00 0.01 0.00 0.00 42.46 39.78 1xew s ILE 142 CO 0.37 -0.02 0.13 -0.69 0.00 0.00 0.00 174.94 174.73 1xew s VAL 143 N 1.40 2.24 0.56 2.92 1.01 -1.26 -4.93 120.40 122.35 1xew s VAL 143 Ca -0.00 -2.61 0.01 0.00 0.00 0.00 0.00 61.98 59.38 1xew s VAL 143 Cb -0.18 -2.62 0.11 0.00 0.00 0.00 0.00 36.38 33.68 1xew s VAL 143 CO 0.01 -0.68 0.77 0.18 0.00 0.00 0.00 175.10 175.38 1xew n LEU 144 N 3.88 0.00 -4.73 3.92 4.77 -1.26 -4.95 117.00 118.64 1xew n LEU 144 Ca 0.04 -1.75 -0.42 0.00 -0.03 0.00 0.00 56.01 53.85 1xew n LEU 144 Cb 0.38 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1xew n LEU 144 CO 0.25 -0.85 1.08 -1.10 -1.33 0.00 0.00 177.39 175.44 1xew s GLN 145 N -4.48 4.31 0.00 3.23 -1.52 -1.26 -1.69 119.66 118.26 1xew s GLN 145 Ca 0.52 2.17 0.00 0.00 -1.95 0.00 0.00 55.36 56.10 1xew s GLN 145 Cb -0.03 -3.19 0.00 0.00 -0.22 0.00 0.00 33.01 29.57 1xew s GLN 145 CO 0.34 -0.41 0.00 0.41 -0.25 0.00 0.00 175.29 175.39 1xew n GLY 146 N 2.92 2.57 0.15 3.09 0.00 -1.26 -4.89 105.19 107.76 1xew n GLY 146 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1xew n GLY 146 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xew h ASP 147 N 0.37 0.57 -0.31 1.61 3.45 -1.69 -2.22 116.42 118.20 1xew h ASP 147 Ca 0.00 -0.50 -0.18 0.00 0.43 0.00 0.00 57.03 56.78 1xew h ASP 147 Cb 0.00 -0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 38.59 1xew h ASP 147 CO 0.00 1.33 -0.49 0.40 -1.57 0.00 0.00 179.24 178.91 1xew h ILE 148 N 0.20 1.27 -0.87 0.35 1.08 -1.91 -2.65 117.51 114.98 1xew h ILE 148 Ca -0.11 -1.67 -0.01 0.00 -0.39 0.00 0.00 64.86 62.68 1xew h ILE 148 Cb 1.74 1.54 -0.04 0.00 -3.07 0.00 0.00 36.82 36.99 1xew h ILE 148 CO 0.19 0.55 0.52 0.74 -0.69 0.00 0.00 178.15 179.46 1xew h THR 149 N 0.70 1.24 -0.46 -0.27 2.02 -1.92 -1.40 112.91 112.82 1xew h THR 149 Ca 0.03 -0.54 0.07 0.00 0.77 0.00 0.00 66.41 66.75 1xew h THR 149 Cb 1.09 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 1xew h THR 149 CO 0.11 0.26 0.10 0.50 0.37 0.00 0.00 175.52 176.85 1xew h LYS 150 N 1.20 0.23 -0.23 6.66 1.63 -1.21 -0.75 116.57 124.09 1xew h LYS 150 Ca 0.31 -0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.97 1xew h LYS 150 Cb -0.04 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 1xew h LYS 150 CO -0.06 0.15 -0.41 0.74 -3.45 0.00 0.00 179.45 176.42 1xew h PHE 151 N 0.23 0.66 -0.03 1.91 0.05 -1.10 -0.76 116.94 117.90 1xew h PHE 151 Ca 0.23 -0.19 -0.00 0.00 3.82 0.00 0.00 57.97 61.82 1xew h PHE 151 Cb 0.29 -0.14 -0.00 0.00 2.00 0.00 0.00 35.95 38.09 1xew h PHE 151 CO -0.21 0.88 0.00 0.82 -0.18 0.00 0.00 178.31 179.62 1xew h ILE 152 N 0.46 1.23 -0.01 -0.55 2.04 -0.96 -3.31 117.51 116.40 1xew h ILE 152 Ca 0.04 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1xew h ILE 152 Cb 0.91 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1xew h ILE 152 CO 0.08 0.18 -0.25 0.29 0.00 0.00 0.00 178.15 178.46 1xew n LYS 153 N -4.92 0.78 -1.52 2.37 5.02 -0.31 -4.96 118.16 114.61 1xew n LYS 153 Ca -0.07 -0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 55.36 1xew n LYS 153 Cb 0.16 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.69 1xew n LYS 153 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1xew n MET 154 N -0.73 0.90 -1.92 1.97 1.56 -0.30 -4.97 117.12 113.63 1xew n MET 154 Ca 0.12 0.32 -0.31 0.00 -0.27 0.00 0.00 57.70 57.56 1xew n MET 154 Cb 0.34 -1.72 0.01 0.00 2.15 0.00 0.00 33.22 34.00 1xew n MET 154 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1xew s SER 155 N -0.85 6.13 0.48 6.12 1.04 -1.26 -4.86 113.70 120.50 1xew s SER 155 Ca 0.63 1.51 0.17 0.00 0.48 0.00 0.00 55.95 58.74 1xew s SER 155 Cb -0.61 -2.49 1.16 0.00 0.10 0.00 0.00 66.02 64.19 1xew s SER 155 CO 0.57 -0.94 2.05 -0.65 0.98 0.00 0.00 173.24 175.26 1xew h PRO 156 N -0.12 0.00 0.20 4.02 0.11 -1.99 -1.34 132.00 132.88 1xew h PRO 156 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1xew h PRO 156 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xew h PRO 156 CO 0.61 0.13 -0.10 1.25 -0.21 0.00 0.00 178.00 179.68 1xew h LEU 157 N 0.00 -0.23 -1.10 2.35 6.46 -2.00 -1.85 115.31 118.95 1xew h LEU 157 Ca -0.00 -0.18 0.06 0.00 -0.12 0.00 0.00 57.88 57.63 1xew h LEU 157 Cb 0.24 0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.17 1xew h LEU 157 CO 0.02 0.06 0.61 -0.08 -0.62 0.00 0.00 178.44 178.43 1xew h GLU 158 N -0.53 1.07 -0.70 1.25 4.81 -1.83 0.37 114.58 119.03 1xew h GLU 158 Ca -0.03 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1xew h GLU 158 Cb 0.40 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1xew h GLU 158 CO 0.05 0.71 0.36 -0.09 -0.73 0.00 0.00 179.01 179.31 1xew h ARG 159 N 1.11 0.99 -0.15 1.92 2.43 -1.05 -0.95 114.38 118.67 1xew h ARG 159 Ca 0.40 -0.12 -0.18 0.00 -0.81 0.00 0.00 59.98 59.27 1xew h ARG 159 Cb 0.14 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1xew h ARG 159 CO -0.14 0.74 -0.63 -0.09 -1.51 0.00 0.00 179.97 178.34 1xew h ARG 160 N 0.99 0.55 -0.69 0.20 1.12 -0.51 -2.98 114.38 113.06 1xew h ARG 160 Ca 0.25 -0.39 0.04 0.00 -1.11 0.00 0.00 59.98 58.77 1xew h ARG 160 Cb 0.06 0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 30.04 1xew h ARG 160 CO -0.04 1.00 0.46 -0.07 -3.11 0.00 0.00 179.97 178.21 1xew h LEU 161 N 0.40 0.69 -1.02 3.80 3.38 -0.07 0.73 115.31 123.23 1xew h LEU 161 Ca -0.01 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1xew h LEU 161 Cb 1.19 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1xew h LEU 161 CO 0.12 0.47 0.18 -0.07 0.09 0.00 0.00 178.44 179.23 1xew h LEU 162 N 0.80 0.82 -0.38 1.67 3.38 -1.06 -1.70 115.31 118.84 1xew h LEU 162 Ca 0.28 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 1xew h LEU 162 Cb 0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1xew h LEU 162 CO -0.08 0.77 -0.37 0.40 0.09 0.00 0.00 178.44 179.25 1xew h ILE 163 N 0.86 1.27 -0.40 1.22 1.08 -1.14 -1.30 117.51 119.10 1xew h ILE 163 Ca 0.19 -1.54 0.07 0.00 -0.39 0.00 0.00 64.86 63.19 1xew h ILE 163 Cb 0.26 1.39 -0.06 0.00 -3.07 0.00 0.00 36.82 35.34 1xew h ILE 163 CO -0.01 0.51 0.03 0.44 -0.69 0.00 0.00 178.15 178.44 1xew h ASP 164 N 0.73 -0.10 -0.29 1.72 3.45 -0.20 -1.51 116.42 120.22 1xew h ASP 164 Ca 0.06 0.08 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 1xew h ASP 164 Cb 0.96 0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.86 1xew h ASP 164 CO 0.09 -0.02 0.15 0.44 -1.57 0.00 0.00 179.24 178.33 1xew h ASP 165 N 0.14 0.37 -0.72 6.45 3.45 -1.19 -2.66 116.42 122.26 1xew h ASP 165 Ca 0.20 -0.11 0.02 0.00 0.43 0.00 0.00 57.03 57.57 1xew h ASP 165 Cb 0.27 -0.10 -0.04 0.00 -0.56 0.00 0.00 39.33 38.90 1xew h ASP 165 CO -0.30 0.38 0.46 0.40 -1.57 0.00 0.00 179.24 178.61 1xew h ILE 166 N 0.34 1.13 0.00 0.35 2.04 -1.00 -3.52 117.51 116.85 1xew h ILE 166 Ca 0.10 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1xew h ILE 166 Cb 0.10 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1xew h ILE 166 CO -0.01 0.17 0.00 -1.54 0.00 0.00 0.00 178.15 176.76