#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3me8 n LEU 3 N 0.00 3.26 0.00 1.04 4.77 -1.26 -1.94 117.00 122.87 3me8 n LEU 3 Ca 0.00 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 3me8 n LEU 3 Cb 0.00 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 39.64 3me8 n LEU 3 CO 0.00 -0.48 0.00 0.61 -1.33 0.00 0.00 177.39 176.19 3me8 n GLY 4 N 1.70 2.25 3.77 -0.72 0.00 0.13 -4.98 105.19 107.33 3me8 n GLY 4 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3me8 n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3me8 s THR 5 N -2.40 2.56 -0.21 2.61 2.01 -0.82 -4.69 115.64 114.70 3me8 s THR 5 Ca 0.00 0.57 -0.18 0.00 0.31 0.00 0.00 61.69 62.38 3me8 s THR 5 Cb 0.00 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 3me8 s THR 5 CO 0.00 0.14 0.52 -0.31 -0.69 0.00 0.00 174.62 174.28 3me8 s TYR 6 N -1.13 3.36 0.07 4.92 2.02 -1.26 -0.20 117.35 125.13 3me8 s TYR 6 Ca 0.50 0.77 -0.31 0.00 -0.37 0.00 0.00 57.07 57.66 3me8 s TYR 6 Cb -0.41 -2.68 -0.07 0.00 -0.40 0.00 0.00 41.96 38.40 3me8 s TYR 6 CO 0.55 -0.12 1.37 0.08 -1.57 0.00 0.00 175.55 175.86 3me8 s VAL 7 N 1.72 3.54 0.15 0.71 1.01 -0.25 -4.93 120.40 122.36 3me8 s VAL 7 Ca 0.24 1.05 -0.34 0.00 0.00 0.00 0.00 61.98 62.93 3me8 s VAL 7 Cb -0.15 -3.68 -0.14 0.00 0.00 0.00 0.00 36.38 32.41 3me8 s VAL 7 CO 0.10 0.05 1.54 -2.65 0.00 0.00 0.00 175.10 174.14 3me8 n PRO 8 N 4.48 2.01 0.24 2.72 -0.02 -1.26 -4.87 135.00 138.30 3me8 n PRO 8 Ca 0.12 0.73 0.12 0.00 -2.02 0.00 0.00 63.50 62.44 3me8 n PRO 8 Cb 0.43 -2.47 0.53 0.00 -0.02 0.00 0.00 33.50 31.97 3me8 n PRO 8 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3me8 h GLY 9 N 5.70 0.00 -0.40 -1.23 0.00 -1.95 -3.18 103.07 102.00 3me8 h GLY 9 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3me8 h GLY 9 CO 0.87 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.50 3me8 n ASP 10 N -3.34 1.11 -4.68 0.19 5.75 -1.26 -1.49 116.55 112.83 3me8 n ASP 10 Ca 0.00 -1.66 -0.42 0.00 -0.01 0.00 0.00 54.79 52.70 3me8 n ASP 10 Cb 0.39 -0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.37 3me8 n ASP 10 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3me8 s ILE 11 N -1.84 2.80 -0.22 2.12 1.01 -1.20 -4.83 121.20 119.04 3me8 s ILE 11 Ca 0.29 0.07 -0.14 0.00 0.00 0.00 0.00 60.65 60.87 3me8 s ILE 11 Cb 0.15 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 3me8 s ILE 11 CO 0.23 -0.00 0.30 -0.89 0.00 0.00 0.00 174.94 174.57 3me8 s THR 12 N 3.53 5.26 0.27 2.92 2.01 -1.26 -1.09 115.64 127.29 3me8 s THR 12 Ca 0.84 0.50 0.11 0.00 0.31 0.00 0.00 61.69 63.44 3me8 s THR 12 Cb -0.44 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 3me8 s THR 12 CO 0.38 0.29 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.75 3me8 s LEU 13 N 1.19 2.92 -0.09 4.42 1.43 0.80 -1.49 118.68 127.85 3me8 s LEU 13 Ca 0.14 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 3me8 s LEU 13 Cb -0.14 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.67 3me8 s LEU 13 CO 0.06 0.02 -0.08 -0.69 0.23 0.00 0.00 176.35 175.89 3me8 s VAL 14 N -2.41 0.98 0.89 -1.59 1.01 0.35 -1.17 120.40 118.46 3me8 s VAL 14 Ca 0.31 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 3me8 s VAL 14 Cb -0.06 -0.98 0.18 0.00 0.00 0.00 0.00 36.38 35.52 3me8 s VAL 14 CO 0.18 0.35 1.23 1.51 0.00 0.00 0.00 175.10 178.36 3me8 s ASP 15 N 1.33 3.50 0.00 3.32 1.47 -0.34 -0.84 116.67 125.11 3me8 s ASP 15 Ca -0.02 0.11 0.15 0.00 1.18 0.00 0.00 52.55 53.96 3me8 s ASP 15 Cb -0.14 -0.26 0.71 0.00 -0.34 0.00 0.00 42.92 42.89 3me8 s ASP 15 CO -0.04 -2.46 1.43 -1.54 0.68 0.00 0.00 175.17 173.24 3me8 n SER 16 N -3.49 0.00 -0.58 2.11 3.41 -0.25 -1.16 113.62 113.66 3me8 n SER 16 Ca 0.15 0.22 0.12 0.00 -0.26 0.00 0.00 58.87 59.09 3me8 n SER 16 Cb 0.60 -0.36 0.10 0.00 -0.26 0.00 0.00 64.21 64.29 3me8 n SER 16 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3me8 n TYR 17 N -1.36 0.00 -0.59 7.33 4.01 -1.26 -4.52 117.16 120.77 3me8 n TYR 17 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 3me8 n TYR 17 Cb 0.14 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3me8 n TYR 17 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3me8 n GLY 18 N 1.38 0.73 3.68 2.72 0.00 -0.31 -5.03 105.19 108.36 3me8 n GLY 18 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3me8 n GLY 18 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3me8 s ASN 19 N -2.27 6.85 -0.14 1.61 0.01 -1.26 -4.80 114.94 114.95 3me8 s ASN 19 Ca 0.00 2.05 -0.15 0.00 -0.71 0.00 0.00 52.86 54.05 3me8 s ASN 19 Cb 0.00 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 39.06 3me8 s ASN 19 CO 0.00 -0.75 0.34 -1.61 -1.51 0.00 0.00 177.10 173.58 3me8 s GLU 20 N 2.80 4.23 0.06 -0.60 2.02 -1.26 -1.20 118.70 124.75 3me8 s GLU 20 Ca 0.63 0.20 -0.14 0.00 0.02 0.00 0.00 54.97 55.69 3me8 s GLU 20 Cb -0.30 -3.41 0.02 0.00 0.10 0.00 0.00 34.13 30.55 3me8 s GLU 20 CO 0.25 0.27 0.32 -0.59 0.02 0.00 0.00 175.26 175.53 3me8 s PHE 21 N 0.35 -0.12 0.31 1.61 -0.71 -0.31 -5.00 117.98 114.11 3me8 s PHE 21 Ca 0.19 -0.05 -0.01 0.00 -1.04 0.00 0.00 56.93 56.02 3me8 s PHE 21 Cb -0.14 0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 3me8 s PHE 21 CO 0.06 -0.54 0.53 -0.65 -1.34 0.00 0.00 175.22 173.28 3me8 s GLN 22 N -2.83 3.52 0.33 1.99 -0.21 -1.26 -0.14 119.66 121.06 3me8 s GLN 22 Ca -0.03 -0.25 0.01 0.00 0.02 0.00 0.00 55.36 55.11 3me8 s GLN 22 Cb 0.00 -2.68 0.56 0.00 1.00 0.00 0.00 33.01 31.90 3me8 s GLN 22 CO -0.05 0.19 1.98 1.25 -2.12 0.00 0.00 175.29 176.54 3me8 h LEU 23 N 1.14 0.82 -2.62 2.90 5.85 -0.82 -0.63 115.31 121.95 3me8 h LEU 23 Ca -0.49 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3me8 h LEU 23 Cb 1.21 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3me8 h LEU 23 CO 0.63 0.58 0.04 0.07 -0.34 0.00 0.00 178.44 179.42 3me8 h LYS 24 N 0.97 0.00 0.00 1.25 2.10 -1.55 -0.82 116.57 118.52 3me8 h LYS 24 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 3me8 h LYS 24 Cb -0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 3me8 h LYS 24 CO -0.07 0.00 0.00 -0.91 -2.00 0.00 0.00 179.45 176.47 3me8 h ASN 25 N 0.00 0.00 0.01 7.07 -0.26 -1.39 -1.81 115.58 119.20 3me8 h ASN 25 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3me8 h ASN 25 Cb 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.33 3me8 h ASN 25 CO 0.00 0.00 -0.05 0.18 -1.06 0.00 0.00 177.43 176.50 3me8 n LEU 26 N -2.87 1.80 -4.71 1.61 4.77 -0.31 -4.99 117.00 112.30 3me8 n LEU 26 Ca -0.01 -0.59 -0.37 0.00 -0.03 0.00 0.00 56.01 55.00 3me8 n LEU 26 Cb 0.13 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.27 3me8 n LEU 26 CO 0.20 0.30 0.85 0.29 -1.33 0.00 0.00 177.39 177.70 3me8 n LYS 27 N 0.33 1.16 0.00 3.23 5.02 -0.68 -3.95 118.16 123.27 3me8 n LYS 27 Ca 0.17 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 3me8 n LYS 27 Cb 0.41 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 3me8 n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3me8 n GLY 28 N 0.97 0.98 3.10 0.72 0.00 -0.38 -5.05 105.19 105.53 3me8 n GLY 28 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 3me8 n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3me8 s LYS 29 N -0.35 0.64 0.72 1.61 1.02 -1.25 -4.89 119.74 117.24 3me8 s LYS 29 Ca 0.00 -1.02 -0.16 0.00 0.02 0.00 0.00 55.97 54.81 3me8 s LYS 29 Cb 0.00 -0.18 0.03 0.00 -0.52 0.00 0.00 37.83 37.16 3me8 s LYS 29 CO 0.00 0.00 1.25 -2.30 -0.92 0.00 0.00 175.35 173.38 3me8 n PRO 30 N 0.75 0.71 -4.48 -1.68 -0.02 -1.26 -3.75 135.00 125.27 3me8 n PRO 30 Ca -0.18 0.31 -0.28 0.00 -2.02 0.00 0.00 63.50 61.32 3me8 n PRO 30 Cb 0.58 -2.49 -0.17 0.00 -0.02 0.00 0.00 33.50 31.40 3me8 n PRO 30 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3me8 s ILE 31 N -1.70 1.51 -0.38 4.25 1.01 -0.42 -0.78 121.20 124.68 3me8 s ILE 31 Ca 0.79 -0.65 -0.15 0.00 0.00 0.00 0.00 60.65 60.64 3me8 s ILE 31 Cb -0.34 -1.38 0.01 0.00 0.01 0.00 0.00 42.46 40.76 3me8 s ILE 31 CO 0.45 0.44 0.32 -0.63 0.00 0.00 0.00 174.94 175.52 3me8 s ILE 32 N 0.96 5.21 -0.23 2.92 1.01 0.20 -0.58 121.20 130.70 3me8 s ILE 32 Ca -0.07 -0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 3me8 s ILE 32 Cb -0.15 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 3me8 s ILE 32 CO -0.01 -0.23 0.05 -0.22 0.00 0.00 0.00 174.94 174.53 3me8 s LEU 33 N 1.84 3.45 -0.45 2.97 2.96 0.95 -0.70 118.68 129.69 3me8 s LEU 33 Ca 0.08 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 3me8 s LEU 33 Cb -0.18 -1.91 0.12 0.00 0.50 0.00 0.00 46.19 44.73 3me8 s LEU 33 CO 0.11 0.02 0.19 -0.55 -1.32 0.00 0.00 176.35 174.80 3me8 s SER 34 N 1.28 4.37 0.08 3.68 0.15 0.38 -0.46 113.70 123.19 3me8 s SER 34 Ca 0.05 -2.67 -0.31 0.00 0.70 0.00 0.00 55.95 53.72 3me8 s SER 34 Cb -0.15 -1.55 -0.07 0.00 -1.71 0.00 0.00 66.02 62.55 3me8 s SER 34 CO 0.03 -0.29 1.28 -2.84 1.20 0.00 0.00 173.24 172.62 3me8 s PRO 35 N 0.20 4.38 0.22 5.44 0.02 -1.26 -0.92 135.00 143.08 3me8 s PRO 35 Ca 0.15 1.90 -0.03 0.00 0.02 0.00 0.00 61.00 63.04 3me8 s PRO 35 Cb -0.23 -3.31 -0.03 0.00 0.02 0.00 0.00 34.50 30.94 3me8 s PRO 35 CO -0.03 -0.34 0.21 0.96 -0.33 0.00 0.00 177.00 177.46 3me8 s ILE 36 N 1.12 0.00 -0.01 2.83 -4.36 0.49 -4.82 121.20 116.45 3me8 s ILE 36 Ca 0.61 -1.88 0.01 0.00 -0.26 0.00 0.00 60.65 59.13 3me8 s ILE 36 Cb -0.32 -2.45 -0.04 0.00 1.25 0.00 0.00 42.46 40.90 3me8 s ILE 36 CO 0.29 0.00 0.01 -0.31 0.24 0.00 0.00 174.94 175.17 3me8 s TYR 37 N -4.07 3.10 -0.25 1.37 1.51 -1.26 -0.60 117.35 117.14 3me8 s TYR 37 Ca 0.36 0.10 0.20 0.00 -1.01 0.00 0.00 57.07 56.73 3me8 s TYR 37 Cb 0.05 -1.69 0.07 0.00 -0.11 0.00 0.00 41.96 40.28 3me8 s TYR 37 CO 0.12 0.47 1.21 1.79 -1.11 0.00 0.00 175.55 178.04 3me8 h THR 38 N 3.57 0.24 -3.59 -0.71 1.35 -1.96 -3.44 112.91 108.36 3me8 h THR 38 Ca -0.49 -1.39 -0.62 0.00 -0.55 0.00 0.00 66.41 63.36 3me8 h THR 38 Cb 1.18 1.88 -0.14 0.00 -1.73 0.00 0.00 68.15 69.33 3me8 h THR 38 CO 0.57 0.13 -0.49 -1.00 -0.25 0.00 0.00 175.52 174.49 3me8 s HIS 39 N -3.17 3.31 -0.03 4.73 3.76 -1.26 -5.01 115.29 117.61 3me8 s HIS 39 Ca 0.02 0.24 -0.00 0.00 -0.15 0.00 0.00 55.06 55.16 3me8 s HIS 39 Cb 0.08 -2.29 0.03 0.00 1.11 0.00 0.00 32.58 31.51 3me8 s HIS 39 CO 0.76 0.05 0.02 0.00 -0.85 0.00 0.00 174.74 174.72 3me8 n ARG 41 N 4.52 4.23 0.00 0.00 1.74 -1.26 -4.97 116.66 120.92 3me8 n ARG 41 Ca -0.20 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 3me8 n ARG 41 Cb 0.50 -0.75 0.00 0.00 -1.02 0.00 0.00 32.46 31.20 3me8 n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3me8 n ALA 42 N -0.71 0.00 -2.26 7.54 0.00 -1.26 -4.90 120.51 118.91 3me8 n ALA 42 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 3me8 n ALA 42 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 3me8 n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3me8 n ALA 43 N -3.00 5.25 -2.10 0.00 0.00 -1.26 -4.97 120.51 114.43 3me8 n ALA 43 Ca 0.00 -4.21 -0.42 0.00 0.00 0.00 0.00 53.44 48.81 3me8 n ALA 43 Cb 0.00 -3.11 -0.03 0.00 0.00 0.00 0.00 19.45 16.31 3me8 n ALA 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3me8 h PRO 45 N 7.46 0.00 -6.40 0.00 0.13 -1.91 -3.47 132.00 127.80 3me8 h PRO 45 Ca -0.41 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.24 3me8 h PRO 45 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3me8 h PRO 45 CO 0.90 0.00 -0.90 1.28 -0.23 0.00 0.00 178.00 179.05 3me8 n LEU 46 N -2.31 -2.41 -0.21 1.56 4.77 -1.26 -4.89 117.00 112.25 3me8 n LEU 46 Ca 0.05 -1.00 -0.08 0.00 -0.03 0.00 0.00 56.01 54.95 3me8 n LEU 46 Cb 0.41 -2.29 0.03 0.00 -2.33 0.00 0.00 43.42 39.24 3me8 n LEU 46 CO 0.29 0.45 0.91 0.40 -1.33 0.00 0.00 177.39 178.11 3me8 h ILE 47 N -1.88 1.25 -0.49 -0.08 2.04 -1.96 -3.07 117.51 113.33 3me8 h ILE 47 Ca -0.64 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 64.28 3me8 h ILE 47 Cb 1.37 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 3me8 h ILE 47 CO 0.58 0.35 0.26 0.74 0.00 0.00 0.00 178.15 180.08 3me8 h THR 48 N 0.88 1.18 -0.66 -0.27 2.02 -1.98 0.12 112.91 114.19 3me8 h THR 48 Ca 0.19 -0.46 0.10 0.00 0.77 0.00 0.00 66.41 67.01 3me8 h THR 48 Cb 0.37 0.59 -0.08 0.00 -1.74 0.00 0.00 68.15 67.29 3me8 h THR 48 CO 0.00 0.19 0.27 0.50 0.37 0.00 0.00 175.52 176.86 3me8 h LYS 49 N 0.65 0.45 -0.30 6.66 3.64 -1.94 0.49 116.57 126.22 3me8 h LYS 49 Ca 0.17 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.34 3me8 h LYS 49 Cb 0.07 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3me8 h LYS 49 CO -0.03 0.30 -0.52 0.77 -2.27 0.00 0.00 179.45 177.70 3me8 h SER 50 N 0.46 0.97 -0.41 4.20 0.02 -1.33 -3.14 113.55 114.32 3me8 h SER 50 Ca 0.34 -0.51 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 3me8 h SER 50 Cb 0.42 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 3me8 h SER 50 CO -0.32 1.31 0.18 -0.07 -1.14 0.00 0.00 176.83 176.79 3me8 h LEU 51 N 0.68 0.59 -2.62 5.07 3.38 -0.18 -2.11 115.31 120.12 3me8 h LEU 51 Ca 0.02 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3me8 h LEU 51 Cb 1.13 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3me8 h LEU 51 CO 0.12 0.54 -0.01 -0.07 0.09 0.00 0.00 178.44 179.11 3me8 h LEU 52 N 0.65 0.00 0.00 1.67 3.38 -0.86 -0.29 115.31 119.85 3me8 h LEU 52 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3me8 h LEU 52 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3me8 h LEU 52 CO -0.02 0.01 -1.07 0.29 0.09 0.00 0.00 178.44 177.74 3me8 n LYS 53 N -3.35 0.59 -0.13 1.13 5.02 -0.81 -4.46 118.16 116.14 3me8 n LYS 53 Ca -0.03 0.09 -0.28 0.00 -2.02 0.00 0.00 58.31 56.08 3me8 n LYS 53 Cb 0.11 -1.79 -0.09 0.00 -0.02 0.00 0.00 35.03 33.23 3me8 n LYS 53 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3me8 n VAL 54 N -2.60 1.53 -0.21 -0.18 0.31 -0.74 -4.68 118.33 111.76 3me8 n VAL 54 Ca -0.00 -0.32 -0.01 0.00 -0.01 0.00 0.00 64.34 64.00 3me8 n VAL 54 Cb 0.54 -1.93 0.06 0.00 -0.91 0.00 0.00 33.84 31.60 3me8 n VAL 54 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3me8 h ILE 55 N -1.00 0.37 0.00 2.52 1.08 -1.31 -0.99 117.51 118.18 3me8 h ILE 55 Ca -0.63 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 63.83 3me8 h ILE 55 Cb 1.55 0.37 -0.00 0.00 -3.07 0.00 0.00 36.82 35.66 3me8 h ILE 55 CO -0.38 0.00 -0.04 1.55 -0.69 0.00 0.00 178.15 178.59 3me8 h PRO 56 N -0.01 0.00 0.00 2.37 0.13 -1.79 -1.38 132.00 131.32 3me8 h PRO 56 Ca 0.30 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.29 3me8 h PRO 56 Cb 0.46 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 3me8 h PRO 56 CO -0.64 0.04 -0.66 0.87 -0.23 0.00 0.00 178.00 177.38 3me8 h LYS 57 N 0.00 0.00 -0.05 0.86 1.79 -1.45 -3.31 116.57 114.41 3me8 h LYS 57 Ca -0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 3me8 h LYS 57 Cb 0.21 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 3me8 h LYS 57 CO 0.01 0.66 -0.77 -0.07 -1.08 0.00 0.00 179.45 178.19 3me8 h LEU 58 N 0.00 0.43 0.00 2.94 3.38 -1.14 -3.50 115.31 117.42 3me8 h LEU 58 Ca -0.01 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3me8 h LEU 58 Cb 1.34 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3me8 h LEU 58 CO 0.09 1.05 0.00 0.61 0.09 0.00 0.00 178.44 180.27 3me8 n GLY 59 N 0.64 -0.57 3.32 0.83 0.00 -1.18 -5.10 105.19 103.13 3me8 n GLY 59 Ca -0.04 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 3me8 n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3me8 s THR 60 N -3.00 3.75 0.36 2.61 2.01 -1.26 -4.53 115.64 115.58 3me8 s THR 60 Ca 0.00 -0.68 -0.28 0.00 0.31 0.00 0.00 61.69 61.04 3me8 s THR 60 Cb 0.00 -2.89 -0.11 0.00 0.01 0.00 0.00 72.50 69.51 3me8 s THR 60 CO 0.00 0.16 1.45 -2.65 -0.69 0.00 0.00 174.62 172.89 3me8 n PRO 61 N 4.83 2.53 0.00 4.92 -0.02 -1.26 -1.22 135.00 144.78 3me8 n PRO 61 Ca -0.15 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3me8 n PRO 61 Cb 0.48 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 3me8 n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3me8 n GLY 62 N 0.73 2.52 0.89 -1.23 0.00 0.79 -4.27 105.19 104.62 3me8 n GLY 62 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 3me8 n GLY 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3me8 n LYS 63 N -2.00 0.09 0.11 1.61 4.76 -0.58 -4.84 118.16 117.32 3me8 n LYS 63 Ca 0.00 0.04 0.04 0.00 -2.87 0.00 0.00 58.31 55.51 3me8 n LYS 63 Cb 0.00 -0.65 0.01 0.00 -1.84 0.00 0.00 35.03 32.54 3me8 n LYS 63 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 3me8 h ASP 64 N -0.17 0.00 -4.59 4.39 3.32 -1.47 -3.48 116.42 114.42 3me8 h ASP 64 Ca -0.01 0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.24 3me8 h ASP 64 Cb 0.26 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.65 3me8 h ASP 64 CO -0.01 0.42 0.68 0.72 -1.72 0.00 0.00 179.24 179.33 3me8 s PHE 65 N -3.02 -0.20 0.07 4.55 -0.12 -1.25 -4.37 117.98 113.64 3me8 s PHE 65 Ca 0.02 0.10 -0.06 0.00 -0.05 0.00 0.00 56.93 56.94 3me8 s PHE 65 Cb 0.08 0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 42.95 3me8 s PHE 65 CO 0.76 -0.37 0.32 -1.58 -0.05 0.00 0.00 175.22 174.29 3me8 s TRP 66 N -2.73 3.54 -0.15 3.49 0.52 0.04 -0.15 118.94 123.51 3me8 s TRP 66 Ca 0.08 0.56 0.01 0.00 0.02 0.00 0.00 56.10 56.77 3me8 s TRP 66 Cb -0.01 -1.99 0.00 0.00 -1.15 0.00 0.00 33.47 30.33 3me8 s TRP 66 CO -0.06 0.54 -0.19 0.08 0.02 0.00 0.00 176.95 177.34 3me8 s VAL 67 N -1.46 2.36 -0.24 4.03 1.01 -0.74 -0.63 120.40 124.73 3me8 s VAL 67 Ca 0.34 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3me8 s VAL 67 Cb -0.13 -1.97 0.06 0.00 0.00 0.00 0.00 36.38 34.34 3me8 s VAL 67 CO 0.21 0.53 -0.06 -0.63 0.00 0.00 0.00 175.10 175.15 3me8 s ILE 68 N 0.80 1.63 -0.23 2.22 -1.09 0.12 -0.70 121.20 123.95 3me8 s ILE 68 Ca -0.06 -1.29 -0.21 0.00 -2.23 0.00 0.00 60.65 56.85 3me8 s ILE 68 Cb -0.15 -1.87 -0.02 0.00 -1.58 0.00 0.00 42.46 38.83 3me8 s ILE 68 CO -0.01 -0.09 0.68 -0.89 -1.23 0.00 0.00 174.94 173.39 3me8 s THR 69 N 1.35 4.96 -0.18 2.92 2.01 0.13 -0.47 115.64 126.36 3me8 s THR 69 Ca -0.06 1.25 0.01 0.00 0.31 0.00 0.00 61.69 63.20 3me8 s THR 69 Cb -0.19 -3.98 0.03 0.00 0.01 0.00 0.00 72.50 68.37 3me8 s THR 69 CO -0.06 0.04 -0.13 0.12 -0.69 0.00 0.00 174.62 173.90 3me8 s PHE 70 N 2.35 2.40 0.00 4.92 5.36 -0.10 -0.57 117.98 132.34 3me8 s PHE 70 Ca 0.29 -1.49 -0.30 0.00 -0.96 0.00 0.00 56.93 54.47 3me8 s PHE 70 Cb -0.16 -1.66 -0.03 0.00 -0.34 0.00 0.00 43.02 40.83 3me8 s PHE 70 CO 0.09 -0.73 1.04 -0.08 -1.46 0.00 0.00 175.22 174.08 3me8 s THR 71 N 1.41 4.67 -0.84 0.12 -1.32 -0.68 -0.38 115.64 118.62 3me8 s THR 71 Ca 0.01 1.92 0.15 0.00 -1.21 0.00 0.00 61.69 62.57 3me8 s THR 71 Cb -0.15 -4.23 0.53 0.00 -1.51 0.00 0.00 72.50 67.14 3me8 s THR 71 CO -0.10 0.13 1.44 2.22 -2.21 0.00 0.00 174.62 176.11 3me8 n PHE 72 N 4.04 0.97 -2.70 9.09 -1.74 0.23 -4.42 117.46 122.92 3me8 n PHE 72 Ca 0.07 -0.64 -0.43 0.00 -0.56 0.00 0.00 57.45 55.89 3me8 n PHE 72 Cb 0.50 -0.18 -0.03 0.00 1.52 0.00 0.00 39.48 41.29 3me8 n PHE 72 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 3me8 s ASP 73 N -1.21 6.75 0.59 5.98 -1.08 -1.26 -4.93 116.67 121.52 3me8 s ASP 73 Ca 0.39 0.71 0.40 0.00 -0.52 0.00 0.00 52.55 53.53 3me8 s ASP 73 Cb 0.26 -2.51 2.17 0.00 -1.46 0.00 0.00 42.92 41.37 3me8 s ASP 73 CO 0.18 -0.95 2.22 1.55 0.52 0.00 0.00 175.17 178.69 3me8 h PRO 74 N 8.51 0.00 0.00 4.34 0.13 -1.99 -1.70 132.00 141.29 3me8 h PRO 74 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3me8 h PRO 74 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3me8 h PRO 74 CO 1.03 0.00 -0.58 1.63 -0.23 0.00 0.00 178.00 179.85 3me8 n LYS 75 N -2.91 0.19 -2.15 0.86 5.02 -1.26 -4.90 118.16 113.02 3me8 n LYS 75 Ca -0.03 0.05 -0.41 0.00 -2.02 0.00 0.00 58.31 55.90 3me8 n LYS 75 Cb 0.07 -1.62 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 3me8 n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3me8 s ASP 76 N -3.78 6.82 0.54 4.39 1.11 -0.64 -5.03 116.67 120.07 3me8 s ASP 76 Ca 0.08 2.52 0.05 0.00 0.18 0.00 0.00 52.55 55.38 3me8 s ASP 76 Cb 0.15 -2.62 0.03 0.00 1.07 0.00 0.00 42.92 41.55 3me8 s ASP 76 CO 0.71 -0.57 0.35 0.42 1.18 0.00 0.00 175.17 177.26 3me8 s THR 77 N -0.15 1.61 0.29 -1.27 -4.23 -1.26 -4.98 115.64 105.65 3me8 s THR 77 Ca 0.56 -1.56 -0.00 0.00 -1.18 0.00 0.00 61.69 59.50 3me8 s THR 77 Cb -0.38 -2.17 0.28 0.00 1.34 0.00 0.00 72.50 71.56 3me8 s THR 77 CO 0.42 0.00 1.91 0.25 -0.54 0.00 0.00 174.62 176.66 3me8 h LEU 78 N 0.84 0.96 -1.27 4.79 5.85 -1.95 -1.28 115.31 123.25 3me8 h LEU 78 Ca -0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3me8 h LEU 78 Cb 1.30 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 3me8 h LEU 78 CO 0.60 0.62 0.47 -0.08 -0.34 0.00 0.00 178.44 179.71 3me8 h GLU 79 N 1.09 0.96 -0.35 1.25 4.81 -1.96 -1.38 114.58 119.00 3me8 h GLU 79 Ca 0.40 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.44 3me8 h GLU 79 Cb 0.17 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3me8 h GLU 79 CO -0.15 0.64 -0.28 -0.44 -0.73 0.00 0.00 179.01 178.06 3me8 h ASP 80 N 0.99 0.85 0.53 1.04 3.32 -1.63 -2.03 116.42 119.49 3me8 h ASP 80 Ca 0.26 -0.45 -0.17 0.00 0.02 0.00 0.00 57.03 56.70 3me8 h ASP 80 Cb -0.10 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 3me8 h ASP 80 CO -0.06 1.11 -0.74 0.16 -1.72 0.00 0.00 179.24 178.00 3me8 h ILE 81 N 0.59 1.46 -0.38 0.35 3.07 -1.30 -1.79 117.51 119.50 3me8 h ILE 81 Ca 0.06 -2.35 -0.03 0.00 1.55 0.00 0.00 64.86 64.10 3me8 h ILE 81 Cb 0.85 2.26 -0.02 0.00 -0.27 0.00 0.00 36.82 39.64 3me8 h ILE 81 CO 0.07 0.68 0.12 0.50 -1.05 0.00 0.00 178.15 178.48 3me8 h LYS 82 N 0.11 0.59 -0.54 0.16 3.64 -1.23 0.52 116.57 119.82 3me8 h LYS 82 Ca -0.02 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 3me8 h LYS 82 Cb 1.30 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 3me8 h LYS 82 CO 0.11 0.60 0.30 -0.09 -2.27 0.00 0.00 179.45 178.10 3me8 h ARG 83 N 0.47 0.75 -0.27 1.90 2.43 -1.30 -1.58 114.38 116.79 3me8 h ARG 83 Ca 0.12 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3me8 h ARG 83 Cb 0.25 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3me8 h ARG 83 CO -0.00 0.58 0.12 0.35 -1.51 0.00 0.00 179.97 179.50 3me8 h PHE 84 N 0.73 0.39 -0.39 2.20 3.57 -1.15 -0.05 116.94 122.24 3me8 h PHE 84 Ca 0.19 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.74 3me8 h PHE 84 Cb 0.04 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 3me8 h PHE 84 CO -0.02 0.37 0.02 0.37 -2.23 0.00 0.00 178.31 176.83 3me8 h GLN 85 N 0.29 0.13 -0.42 1.11 4.15 -0.70 -1.79 115.11 117.88 3me8 h GLN 85 Ca 0.09 -0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.36 3me8 h GLN 85 Cb 0.14 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 3me8 h GLN 85 CO -0.01 0.09 -0.29 0.87 -1.93 0.00 0.00 178.83 177.55 3me8 h LYS 86 N 0.13 0.92 -0.99 1.69 1.79 -1.08 -1.38 116.57 117.65 3me8 h LYS 86 Ca 0.19 -0.42 0.06 0.00 -2.18 0.00 0.00 60.65 58.30 3me8 h LYS 86 Cb 0.25 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.82 3me8 h LYS 86 CO -0.29 1.08 0.64 1.49 -1.08 0.00 0.00 179.45 181.29 3me8 h GLU 87 N 0.77 1.13 -0.02 3.15 4.81 -0.64 -2.70 114.58 121.09 3me8 h GLU 87 Ca 0.09 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3me8 h GLU 87 Cb 0.86 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3me8 h GLU 87 CO 0.08 0.75 -0.15 0.66 -0.73 0.00 0.00 179.01 179.61 3me8 n TYR 88 N -4.49 0.00 -1.77 0.92 4.02 -0.71 -4.95 117.16 110.17 3me8 n TYR 88 Ca 0.15 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.91 3me8 n TYR 88 Cb 0.18 -0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 39.44 3me8 n TYR 88 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3me8 n GLY 89 N 1.32 0.70 3.73 2.72 0.00 -0.57 -4.98 105.19 108.11 3me8 n GLY 89 Ca 0.14 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 3me8 n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3me8 s ILE 90 N -2.57 3.41 0.33 -0.61 1.01 -0.88 -4.94 121.20 116.94 3me8 s ILE 90 Ca 0.00 1.15 0.17 0.00 0.00 0.00 0.00 60.65 61.96 3me8 s ILE 90 Cb 0.00 -3.73 0.13 0.00 0.01 0.00 0.00 42.46 38.87 3me8 s ILE 90 CO 0.00 0.16 1.84 -2.24 0.00 0.00 0.00 174.94 174.70 3me8 h ASP 91 N 5.55 0.00 -0.01 3.58 3.04 -1.90 -3.45 116.42 123.23 3me8 h ASP 91 Ca -0.44 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.35 3me8 h ASP 91 Cb 1.21 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.50 3me8 h ASP 91 CO 0.77 0.34 -0.00 0.61 -2.04 0.00 0.00 179.24 178.92 3me8 n GLY 92 N -0.30 0.46 0.00 7.15 0.00 0.38 -4.92 105.19 107.96 3me8 n GLY 92 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3me8 n GLY 92 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3me8 n LYS 93 N -2.65 0.00 0.17 1.61 5.02 -1.26 -4.73 118.16 116.31 3me8 n LYS 93 Ca -0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 3me8 n LYS 93 Cb 0.05 0.00 0.28 0.00 -0.02 0.00 0.00 35.03 35.33 3me8 n LYS 93 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3me8 h GLY 94 N 0.00 0.00 -6.93 0.72 0.00 -1.92 -3.41 103.07 91.54 3me8 h GLY 94 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 3me8 h GLY 94 CO 0.00 0.00 -0.76 0.86 0.00 0.00 0.00 176.54 176.64 3me8 s TRP 95 N -3.74 3.01 0.15 5.60 -0.11 -1.26 -1.80 118.94 120.80 3me8 s TRP 95 Ca -0.01 -1.50 0.07 0.00 1.22 0.00 0.00 56.10 55.88 3me8 s TRP 95 Cb 0.12 -2.04 -0.04 0.00 -1.50 0.00 0.00 33.47 30.01 3me8 s TRP 95 CO 0.73 -0.72 -0.04 0.15 -4.62 0.00 0.00 176.95 172.45 3me8 s LYS 96 N 1.34 2.30 -0.18 5.86 1.02 0.12 -0.47 119.74 129.72 3me8 s LYS 96 Ca 0.01 -1.10 -0.02 0.00 0.02 0.00 0.00 55.97 54.89 3me8 s LYS 96 Cb -0.16 -2.33 -0.01 0.00 -0.52 0.00 0.00 37.83 34.82 3me8 s LYS 96 CO -0.06 0.47 -0.10 0.08 -0.92 0.00 0.00 175.35 174.83 3me8 s VAL 97 N -1.58 3.06 0.10 3.17 1.01 -1.26 -0.69 120.40 124.20 3me8 s VAL 97 Ca 0.26 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3me8 s VAL 97 Cb -0.10 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3me8 s VAL 97 CO 0.17 0.47 -0.08 0.68 0.00 0.00 0.00 175.10 176.35 3me8 s VAL 98 N 1.08 0.78 0.26 2.92 -7.23 0.26 -1.09 120.40 117.39 3me8 s VAL 98 Ca 0.00 -1.81 0.08 0.00 -1.81 0.00 0.00 61.98 58.44 3me8 s VAL 98 Cb -0.15 -1.53 -0.05 0.00 0.56 0.00 0.00 36.38 35.21 3me8 s VAL 98 CO -0.02 -0.75 -0.10 -1.59 -0.31 0.00 0.00 175.10 172.33 3me8 s LYS 99 N -3.40 1.53 0.38 4.82 -2.85 -0.02 -1.68 119.74 118.52 3me8 s LYS 99 Ca 0.09 -1.74 -0.27 0.00 -1.00 0.00 0.00 55.97 53.05 3me8 s LYS 99 Cb 0.02 -1.27 -0.09 0.00 -2.06 0.00 0.00 37.83 34.43 3me8 s LYS 99 CO -0.03 0.13 1.23 0.00 0.10 0.00 0.00 175.35 176.78 3me8 s ALA 100 N -2.90 3.28 0.11 0.59 0.00 -1.26 -0.50 121.76 121.08 3me8 s ALA 100 Ca 0.28 1.09 -0.15 0.00 0.00 0.00 0.00 51.96 53.18 3me8 s ALA 100 Cb 0.01 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 3me8 s ALA 100 CO 0.11 -0.59 1.47 -0.22 0.00 0.00 0.00 175.76 176.53 3me8 h LYS 101 N 2.92 0.72 -4.96 0.00 3.64 -1.56 -3.44 116.57 113.88 3me8 h LYS 101 Ca -0.49 -0.32 -0.36 0.00 -1.27 0.00 0.00 60.65 58.21 3me8 h LYS 101 Cb 1.23 -0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.89 3me8 h LYS 101 CO 0.64 0.93 -0.63 0.95 -2.27 0.00 0.00 179.45 179.06 3me8 s THR 102 N -4.58 0.78 0.25 1.00 -4.23 -1.26 -5.04 115.64 102.56 3me8 s THR 102 Ca -0.12 -2.01 -0.03 0.00 -1.18 0.00 0.00 61.69 58.35 3me8 s THR 102 Cb 0.09 -2.48 0.22 0.00 1.34 0.00 0.00 72.50 71.67 3me8 s THR 102 CO 0.82 -0.18 1.76 0.28 -0.54 0.00 0.00 174.62 176.76 3me8 h SER 103 N 2.43 0.45 -0.73 3.99 0.02 -1.98 -2.07 113.55 115.68 3me8 h SER 103 Ca -0.38 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 3me8 h SER 103 Cb 1.23 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 3me8 h SER 103 CO 0.63 0.21 0.38 -0.08 -1.14 0.00 0.00 176.83 176.83 3me8 h GLU 104 N 0.58 1.05 -0.61 3.45 4.81 -1.99 -1.36 114.58 120.51 3me8 h GLU 104 Ca 0.42 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 3me8 h GLU 104 Cb 0.56 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 3me8 h GLU 104 CO -0.34 0.79 0.35 -0.44 -0.73 0.00 0.00 179.01 178.64 3me8 h ASP 105 N 1.05 0.75 -0.12 1.04 3.32 -1.73 0.38 116.42 121.10 3me8 h ASP 105 Ca 0.26 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3me8 h ASP 105 Cb 0.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3me8 h ASP 105 CO -0.04 0.60 0.07 0.25 -1.72 0.00 0.00 179.24 178.41 3me8 h LEU 106 N 0.83 0.15 -0.31 1.55 5.85 -0.80 -2.12 115.31 120.44 3me8 h LEU 106 Ca 0.22 -0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.75 3me8 h LEU 106 Cb 0.01 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3me8 h LEU 106 CO -0.04 0.17 -0.60 -0.26 -0.34 0.00 0.00 178.44 177.37 3me8 h PHE 107 N 0.11 0.00 -0.77 1.25 0.04 -1.13 -1.29 116.94 115.15 3me8 h PHE 107 Ca 0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3me8 h PHE 107 Cb 0.05 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 3me8 h PHE 107 CO -0.05 0.60 0.43 0.87 -0.60 0.00 0.00 178.31 179.56 3me8 h LYS 108 N 0.00 1.07 -0.09 1.51 1.57 -0.80 1.00 116.57 120.83 3me8 h LYS 108 Ca -0.01 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3me8 h LYS 108 Cb 1.33 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 3me8 h LYS 108 CO 0.08 0.78 -0.05 1.25 -0.57 0.00 0.00 179.45 180.95 3me8 h LEU 109 N 1.06 0.20 -1.08 2.94 5.85 -1.11 -1.64 115.31 121.54 3me8 h LEU 109 Ca 0.27 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.59 3me8 h LEU 109 Cb 0.02 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3me8 h LEU 109 CO -0.05 0.57 0.62 -0.07 -0.34 0.00 0.00 178.44 179.18 3me8 h LEU 110 N -0.18 1.06 -0.29 2.25 3.38 -1.14 -2.20 115.31 118.19 3me8 h LEU 110 Ca 0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3me8 h LEU 110 Cb 0.50 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3me8 h LEU 110 CO 0.01 0.76 0.15 -0.78 0.09 0.00 0.00 178.44 178.68 3me8 h ASP 111 N 1.25 0.37 -0.72 -0.43 3.58 -0.74 -0.51 116.42 119.21 3me8 h ASP 111 Ca 0.36 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.67 3me8 h ASP 111 Cb -0.10 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 40.83 3me8 h ASP 111 CO -0.09 0.36 0.32 0.00 -2.88 0.00 0.00 179.24 176.94 3me8 h ALA 112 N 1.02 1.16 -0.06 -0.78 0.00 -0.91 -1.76 119.26 117.93 3me8 h ALA 112 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3me8 h ALA 112 Cb 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3me8 h ALA 112 CO -0.02 0.61 0.00 0.44 0.00 0.00 0.00 179.25 180.29 3me8 n ILE 113 N -4.30 0.07 -2.94 0.00 -5.35 -0.86 -3.52 119.36 102.45 3me8 n ILE 113 Ca 0.07 -0.26 -0.14 0.00 -0.27 0.00 0.00 62.75 62.15 3me8 n ILE 113 Cb 0.17 0.39 0.03 0.00 -1.74 0.00 0.00 39.64 38.49 3me8 n ILE 113 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3me8 n ASP 114 N 0.14 -4.46 -4.77 7.28 2.03 -0.66 -4.26 116.55 111.85 3me8 n ASP 114 Ca 0.18 -0.25 -0.39 0.00 0.52 0.00 0.00 54.79 54.86 3me8 n ASP 114 Cb 0.33 -3.19 -0.06 0.00 -0.72 0.00 0.00 41.12 37.48 3me8 n ASP 114 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3me8 s PHE 115 N -3.06 3.87 0.44 -0.67 0.40 -0.26 -4.94 117.98 113.76 3me8 s PHE 115 Ca 0.27 1.75 -0.25 0.00 -0.60 0.00 0.00 56.93 58.10 3me8 s PHE 115 Cb -0.12 -2.86 -0.09 0.00 0.51 0.00 0.00 43.02 40.46 3me8 s PHE 115 CO 0.33 0.41 1.30 -2.13 0.70 0.00 0.00 175.22 175.84 3me8 n ARG 116 N 1.24 1.95 -2.71 0.44 0.63 -1.26 -4.63 116.66 112.32 3me8 n ARG 116 Ca -0.02 0.70 -0.42 0.00 -0.92 0.00 0.00 57.85 57.18 3me8 n ARG 116 Cb 0.49 -2.45 -0.03 0.00 0.45 0.00 0.00 32.46 30.92 3me8 n ARG 116 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3me8 s PHE 117 N -1.21 2.50 0.00 -0.14 0.08 -1.26 -5.07 117.98 112.88 3me8 s PHE 117 Ca 0.62 -0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.40 3me8 s PHE 117 Cb -0.48 -4.44 0.00 0.00 -0.57 0.00 0.00 43.02 37.53 3me8 s PHE 117 CO 0.57 -1.82 0.00 -1.33 -0.10 0.00 0.00 175.22 172.54 3me8 n MET 118 N 8.45 0.00 -2.80 0.44 2.81 -1.26 -5.27 117.12 119.49 3me8 n MET 118 Ca -0.00 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 3me8 n MET 118 Cb 0.47 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.94 3me8 n MET 118 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 3me8 s ILE 125 N 2.46 4.51 0.00 2.02 2.07 -1.26 -5.22 121.20 125.79 3me8 s ILE 125 Ca 0.00 0.98 0.00 0.00 -1.41 0.00 0.00 60.65 60.22 3me8 s ILE 125 Cb 0.00 -4.40 0.00 0.00 0.13 0.00 0.00 42.46 38.19 3me8 s ILE 125 CO 0.00 -0.71 0.00 0.00 -1.91 0.00 0.00 174.94 172.32 3me8 n HIS 126 N 7.02 0.00 -1.94 3.50 1.44 -1.26 -4.38 115.22 119.60 3me8 n HIS 126 Ca 0.07 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.40 3me8 n HIS 126 Cb 0.48 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.61 3me8 n HIS 126 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 3me8 s PRO 127 N -1.50 3.47 -0.55 -1.40 0.02 -1.26 -4.90 135.00 128.88 3me8 s PRO 127 Ca 0.00 2.13 0.07 0.00 0.02 0.00 0.00 61.00 63.21 3me8 s PRO 127 Cb 0.00 -2.41 0.27 0.00 0.02 0.00 0.00 34.50 32.38 3me8 s PRO 127 CO 0.00 -0.89 0.71 -1.71 -0.33 0.00 0.00 177.00 174.78 3me8 n ASN 128 N -0.64 2.67 -3.96 2.53 4.05 -1.26 -4.94 115.26 113.71 3me8 n ASN 128 Ca 0.08 -3.24 -0.12 0.00 0.45 0.00 0.00 54.58 51.75 3me8 n ASN 128 Cb 0.45 -0.65 -0.13 0.00 1.23 0.00 0.00 39.78 40.69 3me8 n ASN 128 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 3me8 s VAL 129 N -2.36 0.21 -0.06 3.44 0.11 -1.26 -1.29 120.40 119.19 3me8 s VAL 129 Ca 0.40 -0.53 0.05 0.00 -2.93 0.00 0.00 61.98 58.97 3me8 s VAL 129 Cb 0.18 -0.26 -0.02 0.00 -1.53 0.00 0.00 36.38 34.76 3me8 s VAL 129 CO -0.06 -0.21 -0.22 -0.69 -3.33 0.00 0.00 175.10 170.60 3me8 s VAL 130 N -0.74 2.36 -0.14 2.04 1.01 0.20 -4.27 120.40 120.86 3me8 s VAL 130 Ca -0.07 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 3me8 s VAL 130 Cb -0.05 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 3me8 s VAL 130 CO -0.00 0.57 -0.06 -0.69 0.00 0.00 0.00 175.10 174.92 3me8 s VAL 131 N -0.27 3.75 -0.19 2.92 1.01 0.40 -0.61 120.40 127.41 3me8 s VAL 131 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 3me8 s VAL 131 Cb -0.13 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 3me8 s VAL 131 CO 0.03 0.52 -0.06 -0.69 0.00 0.00 0.00 175.10 174.90 3me8 s VAL 132 N 0.17 3.45 0.04 2.92 1.01 -0.34 -0.04 120.40 127.61 3me8 s VAL 132 Ca -0.03 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.49 3me8 s VAL 132 Cb -0.14 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 3me8 s VAL 132 CO 0.03 0.46 0.01 -0.76 0.00 0.00 0.00 175.10 174.84 3me8 s LEU 133 N 1.00 3.55 1.04 3.92 1.43 0.25 -0.66 118.68 129.21 3me8 s LEU 133 Ca 0.00 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 3me8 s LEU 133 Cb -0.15 -2.15 0.21 0.00 0.03 0.00 0.00 46.19 44.14 3me8 s LEU 133 CO 0.00 0.23 1.08 -0.94 0.23 0.00 0.00 176.35 176.95 3me8 s SER 134 N -1.92 2.23 0.28 2.29 1.04 0.36 -1.30 113.70 116.69 3me8 s SER 134 Ca 0.23 1.33 0.19 0.00 0.48 0.00 0.00 55.95 58.18 3me8 s SER 134 Cb -0.12 -2.02 1.04 0.00 0.10 0.00 0.00 66.02 65.02 3me8 s SER 134 CO 0.15 -3.39 1.59 -2.65 0.98 0.00 0.00 173.24 169.91 3me8 n PRO 135 N -4.36 0.13 -0.52 4.02 -0.02 -1.25 -0.91 135.00 132.09 3me8 n PRO 135 Ca 0.05 0.61 0.08 0.00 -2.02 0.00 0.00 63.50 62.23 3me8 n PRO 135 Cb 0.56 -1.91 0.30 0.00 -0.02 0.00 0.00 33.50 32.44 3me8 n PRO 135 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3me8 n GLU 136 N -2.17 3.49 -1.17 -0.52 -0.58 -1.26 -1.25 120.64 117.17 3me8 n GLU 136 Ca -0.01 -2.75 -0.06 0.00 -0.42 0.00 0.00 57.16 53.92 3me8 n GLU 136 Cb 0.04 -1.80 -0.03 0.00 -0.57 0.00 0.00 31.44 29.08 3me8 n GLU 136 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3me8 n LEU 137 N 0.59 -0.37 -4.74 -4.62 4.77 -0.09 -4.85 117.00 107.69 3me8 n LEU 137 Ca 0.22 0.15 -0.40 0.00 -0.03 0.00 0.00 56.01 55.95 3me8 n LEU 137 Cb 0.83 -1.28 -0.05 0.00 -2.33 0.00 0.00 43.42 40.59 3me8 n LEU 137 CO 0.20 -0.37 0.55 -1.58 -1.33 0.00 0.00 177.39 174.86 3me8 s GLN 138 N -2.28 4.58 -0.06 3.23 0.74 -1.26 -1.09 119.66 123.52 3me8 s GLN 138 Ca 0.00 1.23 -0.30 0.00 0.05 0.00 0.00 55.36 56.34 3me8 s GLN 138 Cb 0.00 -3.38 -0.04 0.00 1.10 0.00 0.00 33.01 30.69 3me8 s GLN 138 CO 0.00 0.23 1.42 0.42 -0.55 0.00 0.00 175.29 176.81 3me8 s ILE 139 N 0.05 3.86 -0.02 -2.34 1.01 0.72 -0.48 121.20 124.00 3me8 s ILE 139 Ca 0.43 1.14 0.05 0.00 0.00 0.00 0.00 60.65 62.26 3me8 s ILE 139 Cb -0.22 -3.74 -0.07 0.00 0.01 0.00 0.00 42.46 38.45 3me8 s ILE 139 CO 0.26 -0.05 0.08 0.29 0.00 0.00 0.00 174.94 175.51 3me8 n LYS 140 N 6.13 1.23 -3.49 2.79 4.76 0.17 -0.70 118.16 129.06 3me8 n LYS 140 Ca 0.14 -0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.43 3me8 n LYS 140 Cb 0.44 -1.12 -0.04 0.00 -1.84 0.00 0.00 35.03 32.47 3me8 n LYS 140 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3me8 s ASP 141 N -2.93 -0.52 -0.11 4.39 2.15 -1.04 -4.85 116.67 113.77 3me8 s ASP 141 Ca -0.02 0.25 0.03 0.00 0.43 0.00 0.00 52.55 53.24 3me8 s ASP 141 Cb 0.03 0.49 0.01 0.00 -0.30 0.00 0.00 42.92 43.14 3me8 s ASP 141 CO 0.20 -0.70 -0.19 -0.31 -0.17 0.00 0.00 175.17 174.01 3me8 s TYR 142 N -2.53 2.21 -0.26 -5.34 1.51 -1.26 -1.20 117.35 110.48 3me8 s TYR 142 Ca -0.02 -1.01 -0.05 0.00 -1.01 0.00 0.00 57.07 54.99 3me8 s TYR 142 Cb -0.01 -1.54 0.01 0.00 -0.11 0.00 0.00 41.96 40.31 3me8 s TYR 142 CO -0.04 -0.47 0.01 0.42 -1.11 0.00 0.00 175.55 174.36 3me8 s ILE 143 N 0.75 3.54 -0.71 2.71 1.01 0.22 -4.97 121.20 123.75 3me8 s ILE 143 Ca -0.11 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 59.67 3me8 s ILE 143 Cb -0.16 -2.76 0.16 0.00 0.01 0.00 0.00 42.46 39.71 3me8 s ILE 143 CO 0.02 0.21 0.72 -0.31 0.00 0.00 0.00 174.94 175.58 3me8 s TYR 144 N 1.45 3.39 0.00 3.97 2.02 -1.26 -0.63 117.35 126.29 3me8 s TYR 144 Ca 0.03 -1.51 0.00 0.00 -0.37 0.00 0.00 57.07 55.21 3me8 s TYR 144 Cb -0.16 -3.91 0.00 0.00 -0.40 0.00 0.00 41.96 37.49 3me8 s TYR 144 CO -0.01 -1.12 0.00 0.41 -1.57 0.00 0.00 175.55 173.26 3me8 n GLY 145 N 4.77 0.74 3.14 0.71 0.00 -0.41 -5.00 105.19 109.14 3me8 n GLY 145 Ca 0.02 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 3me8 n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3me8 s VAL 146 N -1.06 2.29 -0.48 1.61 1.01 -1.26 -4.97 120.40 117.54 3me8 s VAL 146 Ca 0.00 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.01 3me8 s VAL 146 Cb 0.00 -2.06 0.22 0.00 0.00 0.00 0.00 36.38 34.54 3me8 s VAL 146 CO 0.00 0.39 0.76 -3.20 0.00 0.00 0.00 175.10 173.05 3me8 n ASN 147 N 4.61 -2.54 -2.51 3.32 4.05 -1.26 -4.84 115.26 116.09 3me8 n ASN 147 Ca -0.19 -3.05 -0.19 0.00 0.45 0.00 0.00 54.58 51.60 3me8 n ASN 147 Cb 0.48 1.34 -0.00 0.00 1.23 0.00 0.00 39.78 42.83 3me8 n ASN 147 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 3me8 n TYR 148 N 2.11 -1.24 -2.22 1.20 4.01 -1.26 -4.85 117.16 114.91 3me8 n TYR 148 Ca 0.15 0.07 -0.41 0.00 -0.16 0.00 0.00 57.90 57.55 3me8 n TYR 148 Cb 0.59 -3.72 0.00 0.00 -0.31 0.00 0.00 39.34 35.90 3me8 n TYR 148 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3me8 n ASN 149 N -2.03 6.53 -0.20 7.72 6.94 -1.26 -4.75 115.26 128.20 3me8 n ASN 149 Ca -0.20 -3.15 -0.07 0.00 -0.02 0.00 0.00 54.58 51.14 3me8 n ASN 149 Cb 0.66 -1.41 0.03 0.00 -2.36 0.00 0.00 39.78 36.70 3me8 n ASN 149 CO 0.00 0.00 0.00 1.88 -1.03 0.00 0.00 177.26 178.11 3me8 h TYR 150 N 5.18 0.76 -0.66 -2.53 0.05 -1.97 -2.76 116.97 115.03 3me8 h TYR 150 Ca 0.52 -0.00 -0.06 0.00 0.05 0.00 0.00 58.73 59.24 3me8 h TYR 150 Cb 0.48 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 3me8 h TYR 150 CO 1.40 0.52 0.18 1.25 -1.05 0.00 0.00 178.16 180.46 3me8 h LEU 151 N 0.77 0.99 -0.94 3.88 6.46 -1.99 0.06 115.31 124.54 3me8 h LEU 151 Ca 0.21 -0.23 0.07 0.00 -0.12 0.00 0.00 57.88 57.81 3me8 h LEU 151 Cb -0.01 -0.26 -0.07 0.00 -0.73 0.00 0.00 40.66 39.59 3me8 h LEU 151 CO -0.04 0.96 0.59 -0.08 -0.62 0.00 0.00 178.44 179.25 3me8 h GLU 152 N 0.97 1.03 -0.24 1.25 4.81 -1.90 0.09 114.58 120.59 3me8 h GLU 152 Ca 0.21 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.21 3me8 h GLU 152 Cb 0.34 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3me8 h GLU 152 CO -0.00 0.68 -0.49 0.74 -0.73 0.00 0.00 179.01 179.21 3me8 h PHE 153 N 1.06 0.96 -0.42 0.92 0.04 -1.16 -0.61 116.94 117.73 3me8 h PHE 153 Ca 0.42 -0.35 0.05 0.00 2.80 0.00 0.00 57.97 60.89 3me8 h PHE 153 Cb 0.22 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 38.14 3me8 h PHE 153 CO -0.02 1.15 0.15 0.28 -0.60 0.00 0.00 178.31 179.27 3me8 h VAL 154 N 0.50 0.87 -0.70 -0.55 2.07 -0.62 0.05 116.25 117.87 3me8 h VAL 154 Ca 0.01 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 3me8 h VAL 154 Cb 1.10 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3me8 h VAL 154 CO 0.11 0.06 0.31 -1.13 0.02 0.00 0.00 177.57 176.94 3me8 h ASN 155 N 0.32 0.95 -0.73 0.57 -1.24 -0.86 -0.42 115.58 114.16 3me8 h ASN 155 Ca 0.19 -0.15 -0.03 0.00 0.71 0.00 0.00 56.30 57.02 3me8 h ASN 155 Cb 0.18 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 38.95 3me8 h ASN 155 CO -0.20 0.84 0.33 0.00 -1.29 0.00 0.00 177.43 177.11 3me8 h ALA 156 N 1.14 0.95 -0.42 1.57 0.00 -0.64 0.29 119.26 122.15 3me8 h ALA 156 Ca 0.24 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3me8 h ALA 156 Cb 0.17 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3me8 h ALA 156 CO -0.02 0.54 -0.08 -0.07 0.00 0.00 0.00 179.25 179.61 3me8 h LEU 157 N 1.04 0.71 -0.46 0.00 3.38 -0.67 0.14 115.31 119.46 3me8 h LEU 157 Ca 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3me8 h LEU 157 Cb 0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3me8 h LEU 157 CO -0.03 0.83 0.25 0.03 0.09 0.00 0.00 178.44 179.61 3me8 h ARG 158 N 0.67 0.64 -0.54 1.13 3.08 -0.61 -0.44 114.38 118.31 3me8 h ARG 158 Ca 0.12 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3me8 h ARG 158 Cb 0.53 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 3me8 h ARG 158 CO 0.03 0.51 0.23 -0.07 -1.07 0.00 0.00 179.97 179.61 3me8 h LEU 159 N 0.61 0.74 -1.13 3.04 3.38 -0.55 -0.88 115.31 120.52 3me8 h LEU 159 Ca 0.16 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3me8 h LEU 159 Cb 0.06 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 3me8 h LEU 159 CO -0.03 0.69 0.59 0.00 0.09 0.00 0.00 178.44 179.78 3me8 h ALA 160 N 1.08 1.40 -0.00 1.53 0.00 -0.41 -2.31 119.26 120.54 3me8 h ALA 160 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3me8 h ALA 160 Cb 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3me8 h ALA 160 CO -0.02 0.53 -0.00 0.54 0.00 0.00 0.00 179.25 180.30 3me8 n ARG 161 N -4.42 1.20 -2.06 0.00 1.74 -0.20 -4.21 116.66 108.71 3me8 n ARG 161 Ca 0.11 -0.31 -0.06 0.00 -0.77 0.00 0.00 57.85 56.82 3me8 n ARG 161 Cb 0.07 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.01 3me8 n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3me8 n GLY 162 N 1.06 0.16 0.58 -0.13 0.00 -0.87 -5.07 105.19 100.92 3me8 n GLY 162 Ca 0.22 -0.63 0.07 0.00 0.00 0.00 0.00 46.02 45.69 3me8 n GLY 162 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50