#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1af5 s TYR 5 N 0.00 1.02 0.00 5.64 1.51 -1.26 -5.01 117.35 119.24 1af5 s TYR 5 Ca 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 57.07 55.83 1af5 s TYR 5 Cb 0.00 -0.69 0.00 0.00 -0.11 0.00 0.00 41.96 41.16 1af5 s TYR 5 CO 0.00 -0.07 0.00 0.09 -1.11 0.00 0.00 175.55 174.46 1af5 n ASN 6 N 3.07 0.00 0.00 2.29 4.13 -1.26 -5.04 115.26 118.45 1af5 n ASN 6 Ca -0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.10 1af5 n ASN 6 Cb 0.55 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.79 1af5 n ASN 6 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1af5 n LYS 7 N -1.60 0.00 0.15 3.52 4.01 -1.26 -4.60 118.16 118.38 1af5 n LYS 7 Ca 0.00 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.68 1af5 n LYS 7 Cb 0.00 -0.91 -0.07 0.00 -0.51 0.00 0.00 35.03 33.54 1af5 n LYS 7 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1af5 h GLU 8 N 0.00 -0.41 0.00 1.97 4.39 -2.02 -3.32 114.58 115.18 1af5 h GLU 8 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1af5 h GLU 8 Cb 0.00 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1af5 h GLU 8 CO 0.00 -0.08 -0.74 1.97 -1.16 0.00 0.00 179.01 179.01 1af5 n PHE 9 N -5.10 0.22 -0.01 4.33 -1.74 -1.26 -3.70 117.46 110.19 1af5 n PHE 9 Ca -0.09 0.06 0.20 0.00 -0.56 0.00 0.00 57.45 57.06 1af5 n PHE 9 Cb 0.27 -0.39 0.67 0.00 1.52 0.00 0.00 39.48 41.55 1af5 n PHE 9 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 1af5 h LEU 10 N 0.00 0.04 -0.70 5.98 3.38 -1.88 0.59 115.31 122.72 1af5 h LEU 10 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1af5 h LEU 10 Cb 0.63 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1af5 h LEU 10 CO 0.00 0.02 0.03 -0.07 0.09 0.00 0.00 178.44 178.51 1af5 h LEU 11 N 0.04 1.01 0.55 1.67 3.38 -1.66 -2.95 115.31 117.36 1af5 h LEU 11 Ca 0.26 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1af5 h LEU 11 Cb 0.99 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1af5 h LEU 11 CO -0.01 1.04 -0.27 0.22 0.09 0.00 0.00 178.44 179.51 1af5 h TYR 12 N 0.96 -0.69 -0.34 1.13 5.03 -0.12 -3.17 116.97 119.76 1af5 h TYR 12 Ca 0.18 -0.02 0.10 0.00 2.58 0.00 0.00 58.73 61.57 1af5 h TYR 12 Cb 0.51 0.23 -0.01 0.00 1.55 0.00 0.00 36.73 39.00 1af5 h TYR 12 CO 0.03 -0.43 0.52 1.25 -1.32 0.00 0.00 178.16 178.21 1af5 h LEU 13 N -1.11 0.00 -0.57 2.82 5.85 -1.09 0.62 115.31 121.84 1af5 h LEU 13 Ca -0.08 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.51 1af5 h LEU 13 Cb 0.57 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1af5 h LEU 13 CO 0.13 0.00 -0.33 0.00 -0.34 0.00 0.00 178.44 177.90 1af5 h ALA 14 N 1.29 0.75 0.31 1.25 0.00 -1.51 0.35 119.26 121.71 1af5 h ALA 14 Ca 0.16 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1af5 h ALA 14 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1af5 h ALA 14 CO -0.00 0.66 -0.15 0.78 0.00 0.00 0.00 179.25 180.53 1af5 h GLY 15 N 0.92 -0.44 0.16 0.00 0.00 0.25 0.13 103.07 104.09 1af5 h GLY 15 Ca 0.07 0.16 0.24 0.00 0.00 0.00 0.00 47.33 47.81 1af5 h GLY 15 CO 0.08 -0.16 0.64 -2.75 0.00 0.00 0.00 176.54 174.35 1af5 h PHE 16 N -0.48 0.32 0.30 5.60 3.04 -1.40 0.10 116.94 124.42 1af5 h PHE 16 Ca -0.04 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 1af5 h PHE 16 Cb 0.32 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.74 1af5 h PHE 16 CO 0.12 0.07 -0.14 0.28 -2.02 0.00 0.00 178.31 176.61 1af5 h VAL 17 N 0.22 0.62 0.00 1.41 2.07 -0.77 0.67 116.25 120.47 1af5 h VAL 17 Ca 0.48 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1af5 h VAL 17 Cb 1.50 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1af5 h VAL 17 CO -0.12 0.13 0.34 0.44 0.02 0.00 0.00 177.57 178.38 1af5 h ASP 18 N -0.86 0.00 0.00 0.57 3.32 0.10 -0.29 116.42 119.26 1af5 h ASP 18 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1af5 h ASP 18 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1af5 h ASP 18 CO 0.07 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.20 1af5 n GLY 19 N -1.24 0.39 2.85 2.75 0.00 0.18 -4.71 105.19 105.42 1af5 n GLY 19 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1af5 n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1af5 s ASP 20 N -1.85 4.21 -0.30 1.61 -1.08 0.23 -5.05 116.67 114.44 1af5 s ASP 20 Ca 0.00 -2.28 -0.13 0.00 -0.52 0.00 0.00 52.55 49.61 1af5 s ASP 20 Cb 0.00 -1.27 0.17 0.00 -1.46 0.00 0.00 42.92 40.35 1af5 s ASP 20 CO 0.00 -0.34 0.95 -0.83 0.52 0.00 0.00 175.17 175.47 1af5 s GLY 21 N 0.75 -0.32 -0.22 2.66 0.00 -0.14 -4.24 107.32 105.80 1af5 s GLY 21 Ca 0.13 2.85 -0.09 0.00 0.00 0.00 0.00 44.72 47.62 1af5 s GLY 21 CO -0.09 3.34 0.10 -0.56 0.00 0.00 0.00 173.10 175.89 1af5 s SER 22 N 2.60 5.70 -0.74 1.64 0.01 -0.39 -4.72 113.70 117.80 1af5 s SER 22 Ca -0.00 0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.28 1af5 s SER 22 Cb -0.08 -2.01 0.36 0.00 0.21 0.00 0.00 66.02 64.50 1af5 s SER 22 CO -0.17 0.08 1.65 -0.38 0.41 0.00 0.00 173.24 174.83 1af5 n ILE 23 N 4.18 3.62 -1.98 1.44 5.41 -1.26 -0.09 119.36 130.68 1af5 n ILE 23 Ca -0.16 -4.87 -0.38 0.00 1.00 0.00 0.00 62.75 58.34 1af5 n ILE 23 Cb 0.52 -1.31 0.02 0.00 -0.71 0.00 0.00 39.64 38.15 1af5 n ILE 23 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 1af5 s ILE 24 N -5.03 2.49 -0.06 1.39 -4.36 0.24 -4.84 121.20 111.04 1af5 s ILE 24 Ca 0.49 0.38 -0.06 0.00 -0.26 0.00 0.00 60.65 61.19 1af5 s ILE 24 Cb 0.37 -3.20 0.01 0.00 1.25 0.00 0.00 42.46 40.90 1af5 s ILE 24 CO -0.28 0.01 0.17 0.00 0.24 0.00 0.00 174.94 175.07 1af5 s ALA 25 N -1.38 -0.42 0.18 2.27 0.00 -1.26 0.33 121.76 121.49 1af5 s ALA 25 Ca 0.67 0.40 -0.20 0.00 0.00 0.00 0.00 51.96 52.82 1af5 s ALA 25 Cb -0.36 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 22.58 1af5 s ALA 25 CO 0.44 -0.10 0.58 1.14 0.00 0.00 0.00 175.76 177.81 1af5 s GLN 26 N -0.13 1.36 -0.21 0.00 -2.07 0.78 -4.96 119.66 114.44 1af5 s GLN 26 Ca -0.02 -0.69 -0.06 0.00 -1.82 0.00 0.00 55.36 52.77 1af5 s GLN 26 Cb -0.02 0.56 -0.03 0.00 -1.09 0.00 0.00 33.01 32.43 1af5 s GLN 26 CO 0.00 -0.59 0.04 -1.50 -1.32 0.00 0.00 175.29 171.92 1af5 s ILE 27 N -3.82 4.25 0.12 3.63 2.07 -1.26 0.57 121.20 126.76 1af5 s ILE 27 Ca 0.05 -0.21 0.03 0.00 -1.41 0.00 0.00 60.65 59.11 1af5 s ILE 27 Cb -0.01 -2.94 -0.04 0.00 0.13 0.00 0.00 42.46 39.60 1af5 s ILE 27 CO -0.07 0.41 0.20 -0.54 -1.91 0.00 0.00 174.94 173.03 1af5 s LYS 28 N 1.06 3.23 0.50 3.50 1.02 0.40 -4.92 119.74 124.53 1af5 s LYS 28 Ca 0.03 -0.64 -0.19 0.00 0.02 0.00 0.00 55.97 55.19 1af5 s LYS 28 Cb -0.14 -2.87 -0.08 0.00 -0.52 0.00 0.00 37.83 34.22 1af5 s LYS 28 CO 0.02 0.54 1.03 -1.25 -0.92 0.00 0.00 175.35 174.78 1af5 s PRO 29 N -2.91 3.76 0.16 -1.68 0.04 -1.26 -1.66 135.00 131.44 1af5 s PRO 29 Ca 0.33 1.30 -0.22 0.00 0.04 0.00 0.00 61.00 62.45 1af5 s PRO 29 Cb -0.11 -2.09 0.06 0.00 0.04 0.00 0.00 34.50 32.39 1af5 s PRO 29 CO 0.26 -0.46 0.57 1.21 0.04 0.00 0.00 177.00 178.62 1af5 s ASN 30 N -2.19 -0.49 0.00 6.66 2.47 -1.26 -4.74 114.94 115.40 1af5 s ASN 30 Ca 0.66 -0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.84 1af5 s ASN 30 Cb -0.15 0.58 0.00 0.00 -1.45 0.00 0.00 41.25 40.23 1af5 s ASN 30 CO 0.23 -0.97 0.00 0.00 -3.72 0.00 0.00 177.10 172.64 1af5 n GLN 31 N -0.36 -0.35 0.00 0.43 6.02 -1.26 -3.60 117.38 118.26 1af5 n GLN 31 Ca -0.16 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1af5 n GLN 31 Cb 0.64 -3.56 0.00 0.00 1.02 0.00 0.00 30.24 28.35 1af5 n GLN 31 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1af5 n SER 32 N -0.18 0.00 0.00 1.08 2.88 -1.26 -5.10 113.62 111.04 1af5 n SER 32 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1af5 n SER 32 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1af5 n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1af5 n TYR 33 N 0.00 -0.03 0.00 0.66 4.11 -1.26 -4.97 117.16 115.67 1af5 n TYR 33 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1af5 n TYR 33 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.36 1af5 n TYR 33 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 1af5 n LYS 34 N -1.55 0.00 -1.94 -3.48 3.00 -1.26 -4.67 118.16 108.26 1af5 n LYS 34 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.04 1af5 n LYS 34 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 34.98 1af5 n LYS 34 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 1af5 s PHE 35 N 0.70 1.63 0.00 5.64 2.19 -1.26 -4.74 117.98 122.15 1af5 s PHE 35 Ca 0.00 0.93 0.00 0.00 0.33 0.00 0.00 56.93 58.19 1af5 s PHE 35 Cb 0.00 -3.93 0.00 0.00 -1.31 0.00 0.00 43.02 37.78 1af5 s PHE 35 CO 0.00 -1.87 0.00 1.63 1.83 0.00 0.00 175.22 176.81 1af5 n LYS 36 N 8.92 3.45 -3.19 10.12 4.76 -1.26 -5.01 118.16 135.96 1af5 n LYS 36 Ca 0.37 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.65 1af5 n LYS 36 Cb 0.48 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.61 1af5 n LYS 36 CO 0.00 0.00 0.00 -3.38 -1.37 0.00 0.00 177.40 172.65 1af5 s HIS 37 N 0.77 -0.25 -0.30 2.13 -3.43 -1.24 -4.80 115.29 108.18 1af5 s HIS 37 Ca 0.00 -1.25 -0.13 0.00 -0.80 0.00 0.00 55.06 52.87 1af5 s HIS 37 Cb 0.00 -0.35 0.17 0.00 -1.43 0.00 0.00 32.58 30.97 1af5 s HIS 37 CO 0.00 -1.02 0.95 -1.14 -2.00 0.00 0.00 174.74 171.53 1af5 s GLN 38 N 0.79 0.31 0.50 -0.38 -0.44 -0.67 -4.64 119.66 115.12 1af5 s GLN 38 Ca 0.26 0.71 0.08 0.00 -2.50 0.00 0.00 55.36 53.91 1af5 s GLN 38 Cb -0.04 0.42 0.03 0.00 -1.64 0.00 0.00 33.01 31.78 1af5 s GLN 38 CO -0.09 -0.17 0.52 -0.48 0.50 0.00 0.00 175.29 175.57 1af5 s LEU 39 N 2.60 3.16 -0.02 3.68 2.34 -1.26 0.15 118.68 129.33 1af5 s LEU 39 Ca -0.00 -0.87 -0.01 0.00 0.06 0.00 0.00 54.13 53.31 1af5 s LEU 39 Cb -0.08 -1.78 0.02 0.00 -0.56 0.00 0.00 46.19 43.79 1af5 s LEU 39 CO -0.17 -0.98 0.05 -0.44 -1.06 0.00 0.00 176.35 173.75 1af5 s SER 40 N -4.35 -0.01 -0.19 1.48 0.01 0.19 -4.83 113.70 106.00 1af5 s SER 40 Ca 0.49 0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.85 1af5 s SER 40 Cb -0.04 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.25 1af5 s SER 40 CO 0.30 -0.07 -0.18 -0.76 0.41 0.00 0.00 173.24 172.94 1af5 s LEU 41 N 0.51 2.26 -0.06 2.44 2.01 -1.26 -0.16 118.68 124.43 1af5 s LEU 41 Ca -0.04 -0.68 0.02 0.00 0.01 0.00 0.00 54.13 53.44 1af5 s LEU 41 Cb -0.06 -1.50 0.01 0.00 0.01 0.00 0.00 46.19 44.65 1af5 s LEU 41 CO -0.02 -0.01 -0.11 -0.89 1.01 0.00 0.00 176.35 176.33 1af5 s THR 42 N 1.29 1.02 -0.03 5.49 2.01 0.15 -3.11 115.64 122.46 1af5 s THR 42 Ca 0.04 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 61.57 1af5 s THR 42 Cb -0.14 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 1af5 s THR 42 CO -0.12 0.33 0.19 0.12 -0.69 0.00 0.00 174.62 174.45 1af5 s PHE 43 N 0.60 3.57 0.10 4.92 5.36 -1.26 -0.59 117.98 130.67 1af5 s PHE 43 Ca -0.12 0.44 -0.20 0.00 -0.96 0.00 0.00 56.93 56.09 1af5 s PHE 43 Cb -0.14 -1.89 0.05 0.00 -0.34 0.00 0.00 43.02 40.70 1af5 s PHE 43 CO 0.03 0.66 0.49 -1.14 -1.46 0.00 0.00 175.22 173.80 1af5 s GLN 44 N -1.69 1.09 -0.17 10.12 0.74 0.87 -2.02 119.66 128.60 1af5 s GLN 44 Ca 0.24 -0.44 -0.08 0.00 0.05 0.00 0.00 55.36 55.13 1af5 s GLN 44 Cb -0.13 0.49 0.06 0.00 1.10 0.00 0.00 33.01 34.54 1af5 s GLN 44 CO 0.15 -0.42 0.39 0.08 -0.55 0.00 0.00 175.29 174.93 1af5 s VAL 45 N -3.16 -0.17 -0.31 1.34 1.01 -0.65 -1.27 120.40 117.20 1af5 s VAL 45 Ca -0.01 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.10 1af5 s VAL 45 Cb 0.00 -0.59 0.09 0.00 0.00 0.00 0.00 36.38 35.89 1af5 s VAL 45 CO -0.07 0.05 0.06 0.28 0.00 0.00 0.00 175.10 175.42 1af5 s THR 46 N 1.67 1.41 0.16 3.92 -1.32 -1.26 0.21 115.64 120.43 1af5 s THR 46 Ca -0.07 -1.68 0.03 0.00 -1.21 0.00 0.00 61.69 58.75 1af5 s THR 46 Cb -0.09 -2.01 -0.04 0.00 -1.51 0.00 0.00 72.50 68.84 1af5 s THR 46 CO -0.12 -0.58 0.23 -1.10 -2.21 0.00 0.00 174.62 170.84 1af5 s GLN 47 N 1.36 3.24 0.35 7.08 -1.52 -1.01 -4.90 119.66 124.27 1af5 s GLN 47 Ca 0.08 -0.70 -0.25 0.00 -1.95 0.00 0.00 55.36 52.54 1af5 s GLN 47 Cb -0.18 -2.85 -0.13 0.00 -0.22 0.00 0.00 33.01 29.63 1af5 s GLN 47 CO -0.17 0.51 0.83 1.63 -0.25 0.00 0.00 175.29 177.84 1af5 n LYS 48 N -0.49 1.00 0.14 2.91 4.76 -1.26 -2.38 118.16 122.84 1af5 n LYS 48 Ca -0.07 0.36 0.10 0.00 -2.87 0.00 0.00 58.31 55.82 1af5 n LYS 48 Cb 0.54 -1.72 0.51 0.00 -1.84 0.00 0.00 35.03 32.52 1af5 n LYS 48 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 1af5 n THR 49 N -0.30 1.16 -0.15 -0.18 5.66 -0.68 -1.13 114.28 118.65 1af5 n THR 49 Ca 0.11 0.69 -0.06 0.00 -3.05 0.00 0.00 64.05 61.74 1af5 n THR 49 Cb 0.35 -1.69 -0.00 0.00 -1.55 0.00 0.00 70.33 67.44 1af5 n THR 49 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 1af5 h GLN 50 N 0.00 -0.20 -2.85 1.09 4.20 -1.85 -3.29 115.11 112.21 1af5 h GLN 50 Ca 0.00 0.01 -0.61 0.00 0.06 0.00 0.00 58.65 58.11 1af5 h GLN 50 Cb 0.01 0.05 -0.41 0.00 0.30 0.00 0.00 27.48 27.43 1af5 h GLN 50 CO 0.00 -0.13 -0.72 -0.98 -0.67 0.00 0.00 178.83 176.33 1af5 s ARG 51 N -6.01 1.86 0.04 1.46 1.04 -0.29 -4.87 118.95 112.19 1af5 s ARG 51 Ca -0.15 -2.83 0.24 0.00 -1.04 0.00 0.00 55.73 51.96 1af5 s ARG 51 Cb 0.15 -2.69 0.37 0.00 -2.04 0.00 0.00 34.95 30.73 1af5 s ARG 51 CO 0.69 -1.31 1.31 2.89 -0.04 0.00 0.00 175.30 178.84 1af5 n ARG 52 N 2.39 0.14 0.08 3.89 -4.01 -1.24 -4.01 116.66 113.90 1af5 n ARG 52 Ca 0.22 0.03 0.17 0.00 -1.04 0.00 0.00 57.85 57.22 1af5 n ARG 52 Cb 0.39 -1.57 0.68 0.00 -3.04 0.00 0.00 32.46 28.92 1af5 n ARG 52 CO 0.00 0.00 0.00 0.11 -3.04 0.00 0.00 177.63 174.70 1af5 h TRP 53 N 0.00 0.00 -0.11 2.89 5.08 -1.90 1.32 115.95 123.22 1af5 h TRP 53 Ca 0.00 0.00 -0.19 0.00 1.08 0.00 0.00 58.89 59.78 1af5 h TRP 53 Cb 0.61 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.77 1af5 h TRP 53 CO 0.00 0.00 -0.71 0.35 -1.28 0.00 0.00 178.44 176.80 1af5 h PHE 54 N 0.00 0.69 0.00 0.12 3.57 -1.98 0.16 116.94 119.50 1af5 h PHE 54 Ca 0.17 -0.30 -0.06 0.00 3.53 0.00 0.00 57.97 61.31 1af5 h PHE 54 Cb 0.70 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1af5 h PHE 54 CO 0.00 1.07 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.77 1af5 h LEU 55 N 0.36 0.00 0.00 0.59 4.07 0.41 0.26 115.31 121.01 1af5 h LEU 55 Ca -0.03 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.79 1af5 h LEU 55 Cb 1.30 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.02 1af5 h LEU 55 CO 0.13 0.30 -0.86 1.23 -1.08 0.00 0.00 178.44 178.16 1af5 h GLY 56 N 1.81 0.00 1.23 0.83 0.00 0.16 -3.11 103.07 103.99 1af5 h GLY 56 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.11 1af5 h GLY 56 CO 0.04 0.00 -0.74 1.70 0.00 0.00 0.00 176.54 177.53 1af5 h LYS 57 N 0.00 0.76 -0.29 4.80 3.64 0.16 -2.71 116.57 122.93 1af5 h LYS 57 Ca -0.06 -0.60 0.04 0.00 -1.27 0.00 0.00 60.65 58.75 1af5 h LYS 57 Cb 1.50 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 33.41 1af5 h LYS 57 CO 0.07 1.22 0.08 -0.07 -2.27 0.00 0.00 179.45 178.47 1af5 h LEU 58 N 0.53 0.07 -0.68 5.20 3.38 -0.56 0.46 115.31 123.71 1af5 h LEU 58 Ca -0.04 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1af5 h LEU 58 Cb 1.37 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 42.10 1af5 h LEU 58 CO 0.15 0.07 0.40 0.58 0.09 0.00 0.00 178.44 179.73 1af5 h VAL 59 N 0.20 1.02 0.02 1.22 2.07 -1.55 0.38 116.25 119.60 1af5 h VAL 59 Ca 0.13 -0.26 -0.23 0.00 0.82 0.00 0.00 66.70 67.16 1af5 h VAL 59 Cb 0.12 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1af5 h VAL 59 CO -0.15 0.14 -0.98 0.44 0.02 0.00 0.00 177.57 177.04 1af5 h ASP 60 N 0.75 0.51 -0.00 0.57 3.32 -1.12 0.78 116.42 121.23 1af5 h ASP 60 Ca 0.29 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1af5 h ASP 60 Cb 0.12 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1af5 h ASP 60 CO -0.15 1.24 -0.00 -0.33 -1.72 0.00 0.00 179.24 178.27 1af5 h GLU 61 N 0.21 0.01 0.00 3.56 5.08 0.18 -3.17 114.58 120.45 1af5 h GLU 61 Ca -0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1af5 h GLU 61 Cb 1.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.87 1af5 h GLU 61 CO 0.17 0.51 0.00 0.82 -1.00 0.00 0.00 179.01 179.51 1af5 h ILE 62 N -0.49 0.00 0.00 3.13 2.04 -0.34 -3.47 117.51 118.38 1af5 h ILE 62 Ca 0.00 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1af5 h ILE 62 Cb 0.51 1.55 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1af5 h ILE 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 1af5 n GLY 63 N 0.62 1.60 3.75 5.37 0.00 0.27 -4.91 105.19 111.90 1af5 n GLY 63 Ca 0.03 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1af5 n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1af5 s VAL 64 N 0.00 4.64 -4.49 1.61 0.11 -1.24 -4.64 120.40 116.39 1af5 s VAL 64 Ca 0.00 1.66 0.00 0.00 -2.93 0.00 0.00 61.98 60.71 1af5 s VAL 64 Cb 0.00 -4.12 0.00 0.00 -1.53 0.00 0.00 36.38 30.73 1af5 s VAL 64 CO 0.00 0.40 0.00 0.61 -3.33 0.00 0.00 175.10 172.78 1af5 n GLY 65 N 2.19 0.96 3.44 6.54 0.00 -1.26 -4.83 105.19 112.23 1af5 n GLY 65 Ca -0.03 -1.97 -0.16 0.00 0.00 0.00 0.00 46.02 43.86 1af5 n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1af5 s TYR 66 N -1.46 -0.52 0.04 1.61 1.13 -1.20 -5.01 117.35 111.94 1af5 s TYR 66 Ca 0.00 0.85 -0.15 0.00 -1.41 0.00 0.00 57.07 56.36 1af5 s TYR 66 Cb 0.00 0.33 -0.06 0.00 -1.10 0.00 0.00 41.96 41.14 1af5 s TYR 66 CO 0.00 -0.57 0.45 0.08 -2.51 0.00 0.00 175.55 173.00 1af5 s VAL 67 N -1.41 4.97 -0.23 -3.49 1.01 -1.26 -0.96 120.40 119.02 1af5 s VAL 67 Ca -0.11 0.85 0.01 0.00 0.00 0.00 0.00 61.98 62.74 1af5 s VAL 67 Cb -0.01 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.67 1af5 s VAL 67 CO 0.07 0.50 -0.12 -0.60 0.00 0.00 0.00 175.10 174.95 1af5 s ARG 68 N -1.28 2.59 -0.51 2.72 3.52 0.24 -4.88 118.95 121.35 1af5 s ARG 68 Ca 0.27 -1.11 -0.27 0.00 -0.13 0.00 0.00 55.73 54.48 1af5 s ARG 68 Cb -0.17 -2.82 0.03 0.00 -1.56 0.00 0.00 34.95 30.43 1af5 s ARG 68 CO 0.16 -0.43 1.08 0.34 -0.81 0.00 0.00 175.30 175.63 1af5 s ASP 69 N 1.21 6.52 -0.52 -2.12 -1.08 -1.26 -0.62 116.67 118.81 1af5 s ASP 69 Ca -0.03 0.21 0.05 0.00 -0.52 0.00 0.00 52.55 52.26 1af5 s ASP 69 Cb -0.17 -2.51 0.37 0.00 -1.46 0.00 0.00 42.92 39.15 1af5 s ASP 69 CO -0.07 -1.25 1.01 0.54 0.52 0.00 0.00 175.17 175.92 1af5 n ARG 70 N 7.78 3.27 0.00 4.34 1.74 -0.24 -5.01 116.66 128.54 1af5 n ARG 70 Ca 0.09 -4.68 0.00 0.00 -0.77 0.00 0.00 57.85 52.48 1af5 n ARG 70 Cb 0.49 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 1af5 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1af5 n GLY 71 N -0.34 1.18 0.00 -0.13 0.00 -1.26 -3.42 105.19 101.22 1af5 n GLY 71 Ca 0.34 -0.58 0.03 0.00 0.00 0.00 0.00 46.02 45.81 1af5 n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1af5 n SER 72 N 5.85 0.00 -3.96 1.61 3.41 -1.26 -4.63 113.62 114.64 1af5 n SER 72 Ca 0.00 0.07 -0.09 0.00 -0.26 0.00 0.00 58.87 58.59 1af5 n SER 72 Cb 0.00 -0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 63.67 1af5 n SER 72 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1af5 s VAL 73 N -2.36 0.12 0.21 -3.33 1.01 -1.22 -1.69 120.40 113.14 1af5 s VAL 73 Ca 0.06 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.05 1af5 s VAL 73 Cb 0.03 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 1af5 s VAL 73 CO 0.07 -0.56 0.04 -0.44 0.00 0.00 0.00 175.10 174.22 1af5 s SER 74 N -1.73 1.24 -0.17 3.32 0.01 -1.00 -1.08 113.70 114.29 1af5 s SER 74 Ca -0.11 -1.26 -0.25 0.00 1.31 0.00 0.00 55.95 55.63 1af5 s SER 74 Cb -0.06 0.13 0.06 0.00 0.21 0.00 0.00 66.02 66.36 1af5 s SER 74 CO -0.02 -0.63 0.65 1.51 0.41 0.00 0.00 173.24 175.15 1af5 s ASP 75 N -3.24 -0.65 -0.01 2.44 1.47 0.21 -2.39 116.67 114.50 1af5 s ASP 75 Ca 0.30 1.06 -0.30 0.00 1.18 0.00 0.00 52.55 54.79 1af5 s ASP 75 Cb 0.07 1.03 -0.03 0.00 -0.34 0.00 0.00 42.92 43.65 1af5 s ASP 75 CO 0.08 -0.36 0.98 -0.47 0.68 0.00 0.00 175.17 176.08 1af5 s TYR 76 N -0.24 3.65 -0.23 2.11 6.14 0.13 0.78 117.35 129.70 1af5 s TYR 76 Ca -0.04 1.69 -0.01 0.00 0.64 0.00 0.00 57.07 59.34 1af5 s TYR 76 Cb -0.03 -3.12 0.07 0.00 0.42 0.00 0.00 41.96 39.29 1af5 s TYR 76 CO 0.04 -0.03 0.02 0.42 0.64 0.00 0.00 175.55 176.64 1af5 s ILE 77 N 1.10 0.87 0.00 3.14 1.01 -0.13 -1.64 121.20 125.56 1af5 s ILE 77 Ca 0.52 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1af5 s ILE 77 Cb -0.21 -1.36 0.00 0.00 0.01 0.00 0.00 42.46 40.90 1af5 s ILE 77 CO 0.27 -0.26 0.92 -0.11 0.00 0.00 0.00 174.94 175.75 1af5 n LEU 78 N 4.91 0.00 -0.22 2.97 7.94 -0.86 -3.27 117.00 128.47 1af5 n LEU 78 Ca -0.08 0.92 0.00 0.00 -1.11 0.00 0.00 56.01 55.73 1af5 n LEU 78 Cb 0.45 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 43.99 1af5 n LEU 78 CO 0.14 -0.42 0.00 -1.20 -1.11 0.00 0.00 177.39 174.80 1af5 n SER 79 N -1.87 -1.01 -1.40 1.96 7.64 -1.26 -4.55 113.62 113.14 1af5 n SER 79 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1af5 n SER 79 Cb 0.00 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1af5 n SER 79 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1af5 n GLU 80 N 1.45 -1.11 0.00 1.43 -0.58 -1.18 -4.62 120.64 116.03 1af5 n GLU 80 Ca 0.00 0.81 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 1af5 n GLU 80 Cb 0.00 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1af5 n GLU 80 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1af5 n ILE 81 N -0.17 0.00 0.00 -3.67 -0.00 -1.26 -3.47 119.36 110.79 1af5 n ILE 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1af5 n ILE 81 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 1af5 n ILE 81 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1af5 n LYS 82 N -0.98 0.00 0.05 0.38 4.01 -1.26 -1.56 118.16 118.80 1af5 n LYS 82 Ca 0.00 0.71 0.13 0.00 -0.51 0.00 0.00 58.31 58.64 1af5 n LYS 82 Cb 0.00 -1.39 0.35 0.00 -0.51 0.00 0.00 35.03 33.47 1af5 n LYS 82 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1af5 n PRO 83 N -2.24 0.17 0.17 1.97 -0.04 -1.23 -3.67 135.00 130.13 1af5 n PRO 83 Ca 0.00 0.09 0.04 0.00 -0.04 0.00 0.00 63.50 63.58 1af5 n PRO 83 Cb 0.00 -1.64 0.43 0.00 -0.04 0.00 0.00 33.50 32.25 1af5 n PRO 83 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1af5 h LEU 84 N 0.00 0.10 0.10 1.53 3.38 -1.57 -2.68 115.31 116.16 1af5 h LEU 84 Ca 0.00 -0.02 -0.28 0.00 0.09 0.00 0.00 57.88 57.67 1af5 h LEU 84 Cb 0.65 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1af5 h LEU 84 CO 0.00 0.30 -1.35 1.12 0.09 0.00 0.00 178.44 178.60 1af5 h HIS 85 N 0.10 0.37 -0.30 1.13 2.07 -1.36 -2.84 115.15 114.32 1af5 h HIS 85 Ca 0.02 -0.27 -0.12 0.00 -2.85 0.00 0.00 60.37 57.15 1af5 h HIS 85 Cb 0.40 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 30.35 1af5 h HIS 85 CO 0.00 1.26 -0.31 -2.95 -3.07 0.00 0.00 177.93 172.86 1af5 h ASN 86 N 0.05 0.64 0.00 3.10 7.08 -1.72 -2.78 115.58 121.96 1af5 h ASN 86 Ca -0.17 -0.25 0.00 0.00 -3.08 0.00 0.00 56.30 52.80 1af5 h ASN 86 Cb 1.96 -0.18 0.00 0.00 -2.08 0.00 0.00 38.32 38.02 1af5 h ASN 86 CO 0.17 0.91 0.00 0.33 -2.08 0.00 0.00 177.43 176.76 1af5 n PHE 87 N -4.08 0.00 -0.31 4.14 7.35 -1.02 -3.12 117.46 120.42 1af5 n PHE 87 Ca -0.01 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 1af5 n PHE 87 Cb 0.46 -0.47 0.28 0.00 0.35 0.00 0.00 39.48 40.11 1af5 n PHE 87 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1af5 h LEU 88 N 0.00 -0.29 -1.41 -2.13 3.38 -1.64 0.41 115.31 113.63 1af5 h LEU 88 Ca 0.00 0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.25 1af5 h LEU 88 Cb 0.00 0.39 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1af5 h LEU 88 CO 0.00 -0.28 0.43 0.74 0.09 0.00 0.00 178.44 179.43 1af5 h THR 89 N 0.08 1.08 0.20 0.22 2.02 -1.63 -0.31 112.91 114.57 1af5 h THR 89 Ca 0.57 -0.26 -0.31 0.00 0.77 0.00 0.00 66.41 67.17 1af5 h THR 89 Cb 1.16 0.25 0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1af5 h THR 89 CO -0.80 0.14 -1.40 -0.61 0.37 0.00 0.00 175.52 173.22 1af5 h GLN 90 N 0.76 0.43 0.39 6.66 4.15 -0.93 -3.38 115.11 123.19 1af5 h GLN 90 Ca 0.26 -0.73 -0.02 0.00 0.77 0.00 0.00 58.65 58.93 1af5 h GLN 90 Cb 0.10 0.27 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1af5 h GLN 90 CO -0.07 1.35 -0.19 1.25 -1.93 0.00 0.00 178.83 179.23 1af5 h LEU 91 N 0.12 -0.45 0.00 -2.39 6.46 -0.70 -3.38 115.31 114.97 1af5 h LEU 91 Ca -0.21 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.56 1af5 h LEU 91 Cb 2.09 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 42.14 1af5 h LEU 91 CO 0.24 -0.24 0.00 1.67 -0.62 0.00 0.00 178.44 179.50 1af5 n GLN 92 N -3.87 0.00 0.00 1.25 0.00 -0.16 -0.23 117.38 114.37 1af5 n GLN 92 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.93 1af5 n GLN 92 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.45 1af5 n GLN 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1af5 n PRO 93 N -2.85 0.00 -1.20 3.69 -0.04 -1.26 -0.39 135.00 132.94 1af5 n PRO 93 Ca 0.00 0.28 -0.14 0.00 -0.04 0.00 0.00 63.50 63.60 1af5 n PRO 93 Cb 0.00 -1.52 0.14 0.00 -0.04 0.00 0.00 33.50 32.08 1af5 n PRO 93 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1af5 n PHE 94 N -1.27 1.84 0.00 0.54 3.72 0.68 -4.97 117.46 118.00 1af5 n PHE 94 Ca 0.00 -1.98 0.00 0.00 -0.05 0.00 0.00 57.45 55.42 1af5 n PHE 94 Cb 0.02 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 37.96 1af5 n PHE 94 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1af5 n LEU 95 N -1.00 0.00 0.00 4.37 4.32 0.47 -4.74 117.00 120.43 1af5 n LEU 95 Ca 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.40 1af5 n LEU 95 Cb 0.98 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.78 1af5 n LEU 95 CO 0.34 0.00 0.00 0.29 -1.22 0.00 0.00 177.39 176.80 1af5 n LYS 96 N 0.00 0.00 0.00 3.23 4.76 -1.26 -4.01 118.16 120.88 1af5 n LYS 96 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1af5 n LYS 96 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1af5 n LYS 96 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 1af5 n LEU 97 N 0.00 0.00 0.00 -0.35 7.94 -1.26 -4.57 117.00 118.76 1af5 n LEU 97 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 1af5 n LEU 97 Cb 0.00 0.00 0.25 0.00 0.53 0.00 0.00 43.42 44.20 1af5 n LEU 97 CO 0.00 0.00 0.53 0.29 -1.11 0.00 0.00 177.39 177.10 1af5 n LYS 98 N 0.00 0.22 -0.11 1.96 5.02 -1.26 -3.79 118.16 120.20 1af5 n LYS 98 Ca 0.00 0.08 -0.02 0.00 -2.02 0.00 0.00 58.31 56.35 1af5 n LYS 98 Cb 0.00 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.53 1af5 n LYS 98 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1af5 n GLN 99 N -1.12 1.16 -0.09 1.97 3.00 -1.26 -3.09 117.38 117.95 1af5 n GLN 99 Ca 0.06 -0.29 -0.18 0.00 -0.01 0.00 0.00 57.00 56.58 1af5 n GLN 99 Cb 0.05 -1.18 -0.11 0.00 0.00 0.00 0.00 30.24 29.00 1af5 n GLN 99 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1af5 h LYS 100 N 0.14 0.00 0.00 -1.09 1.57 -1.89 -3.35 116.57 111.95 1af5 h LYS 100 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1af5 h LYS 100 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1af5 h LYS 100 CO 0.10 0.88 0.00 0.00 -0.57 0.00 0.00 179.45 179.86 1af5 n GLN 101 N -4.50 0.20 0.07 3.15 0.00 -1.18 -2.53 117.38 112.60 1af5 n GLN 101 Ca -0.25 0.22 -0.11 0.00 0.00 0.00 0.00 57.00 56.86 1af5 n GLN 101 Cb 0.58 -1.76 -0.05 0.00 0.00 0.00 0.00 30.24 29.01 1af5 n GLN 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1af5 h ALA 102 N 2.55 -0.29 0.18 2.61 0.00 -1.67 0.21 119.26 122.84 1af5 h ALA 102 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1af5 h ALA 102 Cb 0.63 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1af5 h ALA 102 CO 0.00 -0.72 -0.09 -0.97 0.00 0.00 0.00 179.25 177.48 1af5 h ASN 103 N -0.35 -0.20 -1.03 0.00 -0.00 -1.67 -1.27 115.58 111.05 1af5 h ASN 103 Ca 0.05 -0.10 0.26 0.00 -0.00 0.00 0.00 56.30 56.52 1af5 h ASN 103 Cb 0.42 0.05 -0.10 0.00 -0.00 0.00 0.00 38.32 38.69 1af5 h ASN 103 CO -0.18 -0.03 0.65 -0.07 -0.00 0.00 0.00 177.43 177.80 1af5 h LEU 104 N -0.37 0.52 0.00 0.34 3.38 -1.23 0.41 115.31 118.36 1af5 h LEU 104 Ca -0.02 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1af5 h LEU 104 Cb 0.29 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1af5 h LEU 104 CO 0.04 0.09 -0.00 0.58 0.09 0.00 0.00 178.44 179.24 1af5 h VAL 105 N 0.45 1.57 -0.90 1.22 2.07 -0.36 -2.93 116.25 117.36 1af5 h VAL 105 Ca 0.61 -1.70 0.26 0.00 0.82 0.00 0.00 66.70 66.69 1af5 h VAL 105 Cb 1.43 2.72 -0.04 0.00 -1.52 0.00 0.00 31.29 33.88 1af5 h VAL 105 CO -0.35 0.44 0.64 -0.07 0.02 0.00 0.00 177.57 178.25 1af5 h LEU 106 N -0.73 0.04 0.61 2.57 -0.00 0.15 0.39 115.31 118.34 1af5 h LEU 106 Ca -0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.86 1af5 h LEU 106 Cb 0.72 -0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.39 1af5 h LEU 106 CO 0.00 0.01 -0.29 0.11 -0.00 0.00 0.00 178.44 178.27 1af5 h LYS 107 N 0.04 -0.79 -0.78 1.13 1.57 -0.17 -3.21 116.57 114.36 1af5 h LYS 107 Ca 0.43 0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.34 1af5 h LYS 107 Cb 1.66 0.18 -0.06 0.00 0.08 0.00 0.00 32.23 34.09 1af5 h LYS 107 CO -0.03 -0.47 0.46 0.82 -0.57 0.00 0.00 179.45 179.66 1af5 h ILE 108 N -1.04 0.98 0.00 1.86 2.04 -0.82 -1.79 117.51 118.73 1af5 h ILE 108 Ca -0.08 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1af5 h ILE 108 Cb 0.68 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1af5 h ILE 108 CO 0.14 0.15 0.00 -0.38 0.00 0.00 0.00 178.15 178.06 1af5 n ILE 109 N -4.71 0.00 -4.21 -0.67 5.41 -0.24 -4.62 119.36 110.32 1af5 n ILE 109 Ca 0.11 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.74 1af5 n ILE 109 Cb 0.21 -0.23 -0.10 0.00 -0.71 0.00 0.00 39.64 38.81 1af5 n ILE 109 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1af5 s GLU 110 N -1.43 1.09 -0.39 0.38 2.02 -0.68 -4.98 118.70 114.71 1af5 s GLU 110 Ca 0.00 -1.54 -0.01 0.00 0.02 0.00 0.00 54.97 53.44 1af5 s GLU 110 Cb 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.22 1af5 s GLU 110 CO 0.00 -0.23 0.29 1.04 0.02 0.00 0.00 175.26 176.38 1af5 n GLN 111 N -0.22 -0.76 -3.34 1.61 6.02 -1.26 -4.91 117.38 114.52 1af5 n GLN 111 Ca -0.04 0.38 -0.29 0.00 -0.01 0.00 0.00 57.00 57.03 1af5 n GLN 111 Cb 0.64 -1.06 -0.06 0.00 1.02 0.00 0.00 30.24 30.77 1af5 n GLN 111 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1af5 n LEU 112 N -1.46 4.21 -0.00 1.08 -0.00 -1.26 -5.04 117.00 114.53 1af5 n LEU 112 Ca -0.15 -5.43 0.11 0.00 -0.00 0.00 0.00 56.01 50.54 1af5 n LEU 112 Cb 0.34 -0.76 -0.14 0.00 -0.00 0.00 0.00 43.42 42.86 1af5 n LEU 112 CO 0.31 2.02 -0.48 -2.65 -0.00 0.00 0.00 177.39 176.59 1af5 n PRO 113 N 0.86 0.42 -0.30 1.47 -0.02 -1.26 -5.21 135.00 130.96 1af5 n PRO 113 Ca 0.30 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1af5 n PRO 113 Cb 0.40 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 1af5 n PRO 113 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1af5 n LEU 123 N -2.00 -0.16 0.00 2.45 4.77 -1.26 -5.20 117.00 115.60 1af5 n LEU 123 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1af5 n LEU 123 Cb 0.48 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1af5 n LEU 123 CO 0.45 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.72 1af5 n GLU 124 N -0.93 0.00 -3.05 3.23 4.07 -1.26 -4.92 120.64 117.78 1af5 n GLU 124 Ca 0.00 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.79 1af5 n GLU 124 Cb 0.07 -2.62 -0.05 0.00 -0.06 0.00 0.00 31.44 28.79 1af5 n GLU 124 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1af5 s VAL 125 N -1.32 4.76 -1.37 6.31 -7.23 -1.26 -4.11 120.40 116.18 1af5 s VAL 125 Ca 0.00 0.73 -0.16 0.00 -1.81 0.00 0.00 61.98 60.74 1af5 s VAL 125 Cb 0.00 -3.67 0.02 0.00 0.56 0.00 0.00 36.38 33.29 1af5 s VAL 125 CO 0.00 -0.32 0.39 0.00 -0.31 0.00 0.00 175.10 174.85 1af5 n THR 127 N -4.73 0.00 0.03 0.00 -2.24 -1.26 -4.82 114.28 101.25 1af5 n THR 127 Ca -0.22 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.53 1af5 n THR 127 Cb 0.63 -0.01 0.22 0.00 -2.10 0.00 0.00 70.33 69.08 1af5 n THR 127 CO 0.00 0.00 0.00 -0.50 -0.57 0.00 0.00 175.07 174.00 1af5 h TRP 128 N 0.00 0.50 -0.48 4.78 4.06 -1.87 -3.23 115.95 119.71 1af5 h TRP 128 Ca 0.00 -0.10 0.09 0.00 2.06 0.00 0.00 58.89 60.93 1af5 h TRP 128 Cb 0.08 -0.13 -0.10 0.00 -1.00 0.00 0.00 29.16 28.02 1af5 h TRP 128 CO 0.00 0.66 -0.36 0.28 -3.56 0.00 0.00 178.44 175.46 1af5 h VAL 129 N 0.40 0.18 -0.74 1.49 2.07 -1.93 0.74 116.25 118.46 1af5 h VAL 129 Ca 0.06 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 1af5 h VAL 129 Cb 0.64 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1af5 h VAL 129 CO 0.05 0.00 0.26 0.44 0.02 0.00 0.00 177.57 178.33 1af5 h ASP 130 N -0.24 1.04 -0.11 0.57 3.32 -1.93 0.41 116.42 119.49 1af5 h ASP 130 Ca 0.19 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.09 1af5 h ASP 130 Cb 0.55 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1af5 h ASP 130 CO -0.60 0.95 0.20 -0.61 -1.72 0.00 0.00 179.24 177.45 1af5 h GLN 131 N 1.09 0.00 -1.93 3.56 4.15 -1.13 -0.33 115.11 120.52 1af5 h GLN 131 Ca 0.24 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 59.49 1af5 h GLN 131 Cb 0.26 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.89 1af5 h GLN 131 CO -0.01 0.00 -0.02 -0.89 -1.93 0.00 0.00 178.83 175.97 1af5 n ILE 132 N -3.43 2.61 -2.48 2.39 5.41 0.14 -4.78 119.36 119.22 1af5 n ILE 132 Ca -0.00 -1.29 -0.40 0.00 1.00 0.00 0.00 62.75 62.06 1af5 n ILE 132 Cb 0.29 -1.66 -0.02 0.00 -0.71 0.00 0.00 39.64 37.55 1af5 n ILE 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1af5 s ALA 133 N -0.13 2.95 -0.99 -1.39 0.00 -0.14 -4.75 121.76 117.31 1af5 s ALA 133 Ca 0.34 -2.67 -0.02 0.00 0.00 0.00 0.00 51.96 49.61 1af5 s ALA 133 Cb 0.19 -4.63 0.26 0.00 0.00 0.00 0.00 23.12 18.94 1af5 s ALA 133 CO -0.03 -3.69 2.07 0.00 0.00 0.00 0.00 175.76 174.12 1af5 n ALA 134 N 9.56 6.36 -1.78 0.00 0.00 -1.26 -4.63 120.51 128.76 1af5 n ALA 134 Ca 0.46 -4.26 -0.04 0.00 0.00 0.00 0.00 53.44 49.60 1af5 n ALA 134 Cb 0.47 -2.26 -0.01 0.00 0.00 0.00 0.00 19.45 17.65 1af5 n ALA 134 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1af5 n LEU 135 N 0.27 -0.92 -4.66 0.00 4.77 -1.26 -5.04 117.00 110.15 1af5 n LEU 135 Ca 0.52 0.03 -0.38 0.00 -0.03 0.00 0.00 56.01 56.15 1af5 n LEU 135 Cb 0.28 -1.02 -0.08 0.00 -2.33 0.00 0.00 43.42 40.27 1af5 n LEU 135 CO 0.53 -0.11 0.00 0.20 -1.33 0.00 0.00 177.39 176.69 1af5 s ASN 136 N -2.85 6.32 -0.15 -1.43 0.01 -1.26 -5.08 114.94 110.50 1af5 s ASN 136 Ca 0.00 0.37 -0.13 0.00 -0.71 0.00 0.00 52.86 52.39 1af5 s ASN 136 Cb 0.00 -2.19 -0.05 0.00 0.41 0.00 0.00 41.25 39.43 1af5 s ASN 136 CO 0.00 -0.03 0.27 -1.81 -1.51 0.00 0.00 177.10 174.02 1af5 s ASP 137 N 1.07 6.44 0.00 -1.22 1.11 -1.26 -4.82 116.67 117.98 1af5 s ASP 137 Ca 0.15 0.51 0.00 0.00 0.18 0.00 0.00 52.55 53.39 1af5 s ASP 137 Cb -0.14 -2.17 0.00 0.00 1.07 0.00 0.00 42.92 41.68 1af5 s ASP 137 CO 0.07 0.16 0.00 -1.20 1.18 0.00 0.00 175.17 175.38