#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bla n ALA 2 N 0.00 1.73 -1.76 3.17 0.00 -1.26 -4.92 120.51 117.47 1bla n ALA 2 Ca 0.00 -0.19 -0.37 0.00 0.00 0.00 0.00 53.44 52.88 1bla n ALA 2 Cb 0.00 -2.88 0.02 0.00 0.00 0.00 0.00 19.45 16.59 1bla n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bla s GLU 3 N 6.13 3.25 0.71 0.00 8.01 -1.26 -4.75 118.70 130.79 1bla s GLU 3 Ca 1.00 1.89 0.00 0.00 0.01 0.00 0.00 54.97 57.87 1bla s GLU 3 Cb -0.37 -2.14 0.00 0.00 -4.31 0.00 0.00 34.13 27.31 1bla s GLU 3 CO 0.37 -1.00 0.00 0.41 0.01 0.00 0.00 175.26 175.05 1bla n GLY 4 N 0.52 -1.80 0.00 -1.39 0.00 -1.26 -4.43 105.19 96.83 1bla n GLY 4 Ca 0.11 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1bla n GLY 4 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bla n GLU 5 N -2.48 0.00 -1.83 1.61 1.02 -1.26 -4.64 120.64 113.06 1bla n GLU 5 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 1bla n GLU 5 Cb 0.28 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.69 1bla n GLU 5 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1bla n ILE 6 N 0.00 4.93 -1.47 -3.67 -0.00 -1.26 -4.97 119.36 112.92 1bla n ILE 6 Ca 0.00 -3.86 0.05 0.00 -0.00 0.00 0.00 62.75 58.94 1bla n ILE 6 Cb 0.00 -2.24 -0.01 0.00 -0.00 0.00 0.00 39.64 37.39 1bla n ILE 6 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 1bla n THR 7 N 2.35 0.00 0.00 1.39 -2.24 -1.26 -5.00 114.28 109.51 1bla n THR 7 Ca 0.65 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.43 1bla n THR 7 Cb 0.25 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1bla n THR 7 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1bla n THR 8 N -1.60 0.00 -1.60 4.28 -1.04 -1.26 -5.04 114.28 108.03 1bla n THR 8 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1bla n THR 8 Cb 0.16 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 1bla n THR 8 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1bla n LEU 9 N -0.97 -1.76 -4.68 -4.42 4.77 -1.26 -4.70 117.00 103.98 1bla n LEU 9 Ca 0.00 2.92 -0.45 0.00 -0.03 0.00 0.00 56.01 58.45 1bla n LEU 9 Cb 0.00 -3.18 -0.03 0.00 -2.33 0.00 0.00 43.42 37.87 1bla n LEU 9 CO 0.00 -0.69 1.14 -2.65 -1.33 0.00 0.00 177.39 173.86 1bla n PRO 10 N -2.43 2.19 -2.11 3.23 -0.01 -1.26 -4.96 135.00 129.65 1bla n PRO 10 Ca 0.00 0.78 -0.03 0.00 -0.01 0.00 0.00 63.50 64.24 1bla n PRO 10 Cb 0.43 -2.51 -0.01 0.00 -0.01 0.00 0.00 33.50 31.40 1bla n PRO 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1bla n ALA 11 N 2.72 -0.12 -2.74 3.55 0.00 -1.26 -5.12 120.51 117.54 1bla n ALA 11 Ca 0.14 -0.39 -0.08 0.00 0.00 0.00 0.00 53.44 53.11 1bla n ALA 11 Cb 0.31 0.31 0.06 0.00 0.00 0.00 0.00 19.45 20.13 1bla n ALA 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1bla n LEU 12 N 0.00 -2.62 -4.75 0.00 7.94 -1.26 -5.14 117.00 111.17 1bla n LEU 12 Ca -0.00 -3.13 -0.37 0.00 -1.11 0.00 0.00 56.01 51.40 1bla n LEU 12 Cb 0.14 0.81 0.04 0.00 0.53 0.00 0.00 43.42 44.95 1bla n LEU 12 CO 0.07 1.95 0.90 -2.16 -1.11 0.00 0.00 177.39 177.03 1bla s PRO 13 N 0.57 2.99 -0.30 1.96 0.05 -1.26 -4.19 135.00 134.82 1bla s PRO 13 Ca 0.30 2.00 -0.07 0.00 0.05 0.00 0.00 61.00 63.27 1bla s PRO 13 Cb 0.23 -2.05 0.01 0.00 0.05 0.00 0.00 34.50 32.75 1bla s PRO 13 CO -0.21 -1.23 0.21 -1.91 0.05 0.00 0.00 177.00 173.91 1bla n GLU 14 N -1.40 -2.59 -0.25 4.56 4.07 -1.26 -4.85 120.64 118.92 1bla n GLU 14 Ca 0.13 2.20 0.06 0.00 -0.06 0.00 0.00 57.16 59.49 1bla n GLU 14 Cb 0.48 -4.49 0.19 0.00 -0.06 0.00 0.00 31.44 27.56 1bla n GLU 14 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1bla n ASP 15 N 0.47 2.44 -3.47 4.31 9.92 -1.26 -4.52 116.55 124.44 1bla n ASP 15 Ca 0.02 -2.07 -0.40 0.00 -0.53 0.00 0.00 54.79 51.81 1bla n ASP 15 Cb 0.25 -0.32 -0.01 0.00 -0.64 0.00 0.00 41.12 40.40 1bla n ASP 15 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bla n GLY 16 N 1.05 4.94 2.51 0.44 0.00 -1.26 -4.77 105.19 108.10 1bla n GLY 16 Ca 0.14 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 1bla n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bla n GLY 17 N 2.29 5.21 2.51 -0.02 0.00 -1.26 -4.78 105.19 109.14 1bla n GLY 17 Ca 0.65 -2.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 1bla n GLY 17 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bla n SER 18 N 1.30 7.62 0.00 1.61 7.64 -1.26 -4.68 113.62 125.85 1bla n SER 18 Ca 0.58 -3.24 0.00 0.00 1.01 0.00 0.00 58.87 57.22 1bla n SER 18 Cb 0.30 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 1bla n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bla n GLY 19 N 1.27 -1.58 0.00 0.23 0.00 -1.26 -5.11 105.19 98.74 1bla n GLY 19 Ca 0.58 0.60 0.00 0.00 0.00 0.00 0.00 46.02 47.20 1bla n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bla n ALA 20 N 0.00 0.01 -2.87 4.61 0.00 -1.26 -5.08 120.51 115.91 1bla n ALA 20 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1bla n ALA 20 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1bla n ALA 20 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1bla n PHE 21 N 0.00 -2.58 -0.72 0.00 -1.74 -1.26 -4.97 117.46 106.19 1bla n PHE 21 Ca 0.00 -2.22 -0.29 0.00 -0.56 0.00 0.00 57.45 54.38 1bla n PHE 21 Cb 0.00 1.05 0.22 0.00 1.52 0.00 0.00 39.48 42.28 1bla n PHE 21 CO 0.00 0.00 0.00 -2.14 -0.56 0.00 0.00 176.76 174.06 1bla s PRO 22 N 0.21 -0.39 -0.06 3.97 0.02 -1.26 -4.85 135.00 132.64 1bla s PRO 22 Ca 0.33 0.83 -0.33 0.00 0.02 0.00 0.00 61.00 61.84 1bla s PRO 22 Cb 0.20 -1.62 -0.11 0.00 0.02 0.00 0.00 34.50 33.00 1bla s PRO 22 CO -0.21 -3.37 1.92 -2.30 -0.33 0.00 0.00 177.00 172.72 1bla n PRO 23 N -4.66 2.37 0.00 5.54 -0.01 -1.26 -4.25 135.00 132.73 1bla n PRO 23 Ca 0.04 0.86 0.00 0.00 -0.01 0.00 0.00 63.50 64.40 1bla n PRO 23 Cb 0.55 -2.76 0.00 0.00 -0.01 0.00 0.00 33.50 31.28 1bla n PRO 23 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1bla n GLY 24 N 4.50 0.00 0.00 -1.23 0.00 -1.26 -4.98 105.19 102.22 1bla n GLY 24 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1bla n GLY 24 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bla n HIS 25 N 0.00 0.00 -0.64 1.61 8.25 -1.26 -4.78 115.22 118.40 1bla n HIS 25 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 1bla n HIS 25 Cb 0.00 0.00 0.25 0.00 1.12 0.00 0.00 29.99 31.36 1bla n HIS 25 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1bla n PHE 26 N -0.02 2.02 -0.01 4.41 3.72 -1.26 -4.11 117.46 122.21 1bla n PHE 26 Ca 0.00 -1.01 0.00 0.00 -0.05 0.00 0.00 57.45 56.40 1bla n PHE 26 Cb 0.18 -0.59 -0.12 0.00 -0.94 0.00 0.00 39.48 38.01 1bla n PHE 26 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1bla n LYS 27 N -0.05 0.64 -4.29 -1.08 5.02 -1.26 -4.70 118.16 112.44 1bla n LYS 27 Ca 0.33 0.07 -0.28 0.00 -2.02 0.00 0.00 58.31 56.42 1bla n LYS 27 Cb 1.20 -1.68 -0.10 0.00 -0.02 0.00 0.00 35.03 34.43 1bla n LYS 27 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bla s ASP 28 N -5.43 4.16 1.19 4.39 1.11 -1.26 -5.08 116.67 115.76 1bla s ASP 28 Ca -0.06 -0.55 -0.16 0.00 0.18 0.00 0.00 52.55 51.97 1bla s ASP 28 Cb 0.09 -0.68 0.24 0.00 1.07 0.00 0.00 42.92 43.64 1bla s ASP 28 CO 0.84 0.13 0.63 -2.65 1.18 0.00 0.00 175.17 175.30 1bla n PRO 29 N 0.35 -2.44 -3.74 8.23 -0.01 -1.26 -4.67 135.00 131.45 1bla n PRO 29 Ca -0.12 -0.69 -0.14 0.00 -0.01 0.00 0.00 63.50 62.54 1bla n PRO 29 Cb 0.54 -1.96 -0.14 0.00 -0.01 0.00 0.00 33.50 31.92 1bla n PRO 29 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 175.50 175.64 1bla s LYS 30 N -4.06 0.10 -0.24 -0.52 1.02 -0.88 -3.17 119.74 111.98 1bla s LYS 30 Ca 0.64 0.41 -0.22 0.00 0.02 0.00 0.00 55.97 56.81 1bla s LYS 30 Cb -0.20 -0.18 -0.01 0.00 -0.52 0.00 0.00 37.83 36.92 1bla s LYS 30 CO 0.65 -0.18 0.73 1.03 -0.92 0.00 0.00 175.35 176.66 1bla s ARG 31 N 1.30 4.15 -0.67 1.68 0.52 -1.01 -4.03 118.95 120.90 1bla s ARG 31 Ca -0.08 0.75 -0.25 0.00 -0.52 0.00 0.00 55.73 55.63 1bla s ARG 31 Cb -0.11 -3.64 0.05 0.00 0.52 0.00 0.00 34.95 31.76 1bla s ARG 31 CO -0.06 -0.45 1.08 -0.51 0.02 0.00 0.00 175.30 175.38 1bla s LEU 32 N 2.62 3.88 -0.27 2.53 1.43 -1.26 -2.20 118.68 125.40 1bla s LEU 32 Ca 0.31 -0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 52.59 1bla s LEU 32 Cb -0.15 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 1bla s LEU 32 CO 0.08 -1.56 0.36 -0.47 0.23 0.00 0.00 176.35 174.99 1bla s TYR 33 N 4.68 3.24 -0.12 0.29 5.04 -1.24 -1.81 117.35 127.43 1bla s TYR 33 Ca 0.29 0.39 -0.25 0.00 -2.44 0.00 0.00 57.07 55.06 1bla s TYR 33 Cb -0.13 -2.56 -0.02 0.00 0.35 0.00 0.00 41.96 39.60 1bla s TYR 33 CO 0.14 -0.22 0.78 0.00 -1.34 0.00 0.00 175.55 174.90 1bla h LYS 35 N 7.11 0.00 -5.91 0.00 3.11 -1.85 -2.56 116.57 116.47 1bla h LYS 35 Ca -0.34 0.00 -0.60 0.00 -2.81 0.00 0.00 60.65 56.89 1bla h LYS 35 Cb 1.16 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 32.27 1bla h LYS 35 CO 0.80 0.00 0.62 -0.80 -2.81 0.00 0.00 179.45 177.26 1bla s ASN 36 N -5.28 6.33 0.00 4.20 0.02 -1.26 -3.57 114.94 115.37 1bla s ASN 36 Ca 0.05 -0.37 0.00 0.00 -1.02 0.00 0.00 52.86 51.51 1bla s ASN 36 Cb 0.09 -2.45 0.00 0.00 0.02 0.00 0.00 41.25 38.91 1bla s ASN 36 CO 0.54 -1.30 0.00 0.61 0.02 0.00 0.00 177.10 176.98 1bla n GLY 37 N 5.14 0.76 3.12 0.66 0.00 -1.26 -4.39 105.19 109.22 1bla n GLY 37 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1bla n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bla n GLY 38 N -2.48 -1.09 2.95 -0.02 0.00 -1.14 -5.01 105.19 98.41 1bla n GLY 38 Ca 0.00 0.60 -0.13 0.00 0.00 0.00 0.00 46.02 46.49 1bla n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bla s PHE 39 N -1.50 -0.17 -0.14 1.61 0.08 -0.98 -4.68 117.98 112.20 1bla s PHE 39 Ca 0.14 0.46 -0.15 0.00 0.12 0.00 0.00 56.93 57.50 1bla s PHE 39 Cb -0.02 -0.04 -0.05 0.00 -0.57 0.00 0.00 43.02 42.34 1bla s PHE 39 CO 0.52 -0.14 0.36 -0.06 -0.10 0.00 0.00 175.22 175.79 1bla s PHE 40 N 0.88 3.49 0.51 0.36 0.40 0.47 -0.36 117.98 123.72 1bla s PHE 40 Ca -0.07 0.70 -0.23 0.00 -0.60 0.00 0.00 56.93 56.74 1bla s PHE 40 Cb -0.09 -2.41 -0.06 0.00 0.51 0.00 0.00 43.02 40.97 1bla s PHE 40 CO -0.04 0.23 1.37 -0.11 0.70 0.00 0.00 175.22 177.36 1bla n LEU 41 N 3.54 5.25 -3.53 -0.37 7.94 -0.75 -0.25 117.00 128.83 1bla n LEU 41 Ca -0.10 1.03 -0.12 0.00 -1.11 0.00 0.00 56.01 55.71 1bla n LEU 41 Cb 0.52 -1.58 -0.11 0.00 0.53 0.00 0.00 43.42 42.79 1bla n LEU 41 CO 0.41 -0.48 -0.08 -0.60 -1.11 0.00 0.00 177.39 175.52 1bla s ARG 42 N -2.69 0.26 -0.29 1.96 3.52 -0.31 -4.62 118.95 116.78 1bla s ARG 42 Ca 0.68 0.65 -0.20 0.00 -0.13 0.00 0.00 55.73 56.72 1bla s ARG 42 Cb -0.43 -0.30 -0.01 0.00 -1.56 0.00 0.00 34.95 32.64 1bla s ARG 42 CO 0.52 -0.46 0.64 0.42 -0.81 0.00 0.00 175.30 175.61 1bla s ILE 43 N 2.49 4.95 0.48 4.11 1.01 -1.26 -2.31 121.20 130.66 1bla s ILE 43 Ca 0.05 0.98 -0.19 0.00 0.00 0.00 0.00 60.65 61.50 1bla s ILE 43 Cb -0.14 -3.98 -0.09 0.00 0.01 0.00 0.00 42.46 38.26 1bla s ILE 43 CO -0.12 -0.08 0.97 -1.00 0.00 0.00 0.00 174.94 174.71 1bla s HIS 44 N 2.59 3.37 0.54 3.97 3.76 -0.94 -4.66 115.29 123.91 1bla s HIS 44 Ca 0.26 1.54 0.23 0.00 -0.15 0.00 0.00 55.06 56.93 1bla s HIS 44 Cb -0.15 -2.83 1.40 0.00 1.11 0.00 0.00 32.58 32.11 1bla s HIS 44 CO 0.11 -0.27 2.07 -1.35 -0.85 0.00 0.00 174.74 174.44 1bla h PRO 45 N 1.39 0.00 0.00 8.40 0.10 -1.90 0.30 132.00 140.28 1bla h PRO 45 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.62 1bla h PRO 45 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.28 1bla h PRO 45 CO 0.61 0.00 0.00 -0.40 0.10 0.00 0.00 178.00 178.31 1bla n ASP 46 N -4.33 0.00 0.00 -2.05 5.75 -1.26 -4.84 116.55 109.82 1bla n ASP 46 Ca 0.04 -0.71 0.00 0.00 -0.01 0.00 0.00 54.79 54.11 1bla n ASP 46 Cb 0.38 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 1bla n ASP 46 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bla n GLY 47 N 0.50 2.77 3.57 6.12 0.00 0.11 -4.95 105.19 113.30 1bla n GLY 47 Ca 0.18 -0.05 -0.55 0.00 0.00 0.00 0.00 46.02 45.59 1bla n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bla n ARG 48 N 0.00 1.03 -3.31 1.61 5.12 -1.26 -3.91 116.66 115.94 1bla n ARG 48 Ca 0.00 0.34 -0.38 0.00 -1.93 0.00 0.00 57.85 55.88 1bla n ARG 48 Cb 0.00 -2.18 -0.06 0.00 -1.16 0.00 0.00 32.46 29.06 1bla n ARG 48 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1bla s VAL 49 N 5.19 5.10 -0.07 1.55 1.01 -1.26 -2.22 120.40 129.70 1bla s VAL 49 Ca 1.05 1.01 -0.30 0.00 0.00 0.00 0.00 61.98 63.74 1bla s VAL 49 Cb -1.03 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 31.58 1bla s VAL 49 CO 0.60 0.38 0.67 1.51 0.00 0.00 0.00 175.10 178.26 1bla s ASP 50 N 0.20 -0.65 0.35 3.32 -4.77 -0.98 -4.48 116.67 109.66 1bla s ASP 50 Ca 0.27 0.76 -0.01 0.00 -3.30 0.00 0.00 52.55 50.28 1bla s ASP 50 Cb -0.16 0.61 -0.04 0.00 -1.09 0.00 0.00 42.92 42.24 1bla s ASP 50 CO 0.12 -0.58 0.57 -0.83 0.70 0.00 0.00 175.17 175.16 1bla s GLY 51 N -1.06 1.42 0.04 2.12 0.00 -0.93 -1.16 107.32 107.74 1bla s GLY 51 Ca -0.10 -0.82 -0.12 0.00 0.00 0.00 0.00 44.72 43.67 1bla s GLY 51 CO 0.09 -0.74 0.26 -1.34 0.00 0.00 0.00 173.10 171.37 1bla s VAL 52 N -2.33 0.09 -2.59 1.40 -7.23 0.66 -4.77 120.40 105.62 1bla s VAL 52 Ca 0.41 -0.73 0.27 0.00 -1.81 0.00 0.00 61.98 60.12 1bla s VAL 52 Cb -0.10 -0.88 0.48 0.00 0.56 0.00 0.00 36.38 36.44 1bla s VAL 52 CO 0.36 -0.40 1.65 0.54 -0.31 0.00 0.00 175.10 176.94 1bla n ARG 53 N 0.71 1.79 -2.69 4.82 1.74 -1.26 -0.40 116.66 121.36 1bla n ARG 53 Ca -0.19 -1.15 -0.42 0.00 -0.77 0.00 0.00 57.85 55.32 1bla n ARG 53 Cb 0.59 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.52 1bla n ARG 53 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1bla s GLU 54 N -2.00 3.41 0.00 5.56 2.02 -1.26 -4.80 118.70 121.62 1bla s GLU 54 Ca 0.36 -1.00 0.21 0.00 0.02 0.00 0.00 54.97 54.56 1bla s GLU 54 Cb 0.21 -4.77 1.06 0.00 0.10 0.00 0.00 34.13 30.73 1bla s GLU 54 CO 0.33 -2.03 1.65 0.36 0.02 0.00 0.00 175.26 175.60 1bla n LYS 55 N 8.27 0.33 -0.47 1.61 2.85 -1.26 -2.73 118.16 126.76 1bla n LYS 55 Ca 0.17 0.08 -0.02 0.00 -1.05 0.00 0.00 58.31 57.50 1bla n LYS 55 Cb 0.49 -1.50 0.15 0.00 -0.65 0.00 0.00 35.03 33.52 1bla n LYS 55 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1bla n SER 56 N -1.25 3.25 -4.31 -5.58 3.41 -1.26 -4.39 113.62 103.49 1bla n SER 56 Ca 0.10 -2.53 -0.41 0.00 -0.26 0.00 0.00 58.87 55.77 1bla n SER 56 Cb 0.15 -0.61 -0.10 0.00 -0.26 0.00 0.00 64.21 63.40 1bla n SER 56 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bla s ASP 57 N -0.26 5.75 0.00 4.04 1.01 -1.11 -4.92 116.67 121.18 1bla s ASP 57 Ca 0.26 -1.41 0.02 0.00 0.71 0.00 0.00 52.55 52.13 1bla s ASP 57 Cb 0.20 -2.03 0.11 0.00 1.01 0.00 0.00 42.92 42.21 1bla s ASP 57 CO 0.07 -0.54 0.50 -2.65 0.21 0.00 0.00 175.17 172.75 1bla n PRO 58 N 4.98 0.08 0.06 8.23 -0.02 -1.26 -1.21 135.00 145.85 1bla n PRO 58 Ca -0.11 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.50 1bla n PRO 58 Cb 0.43 -1.38 0.30 0.00 -0.02 0.00 0.00 33.50 32.84 1bla n PRO 58 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1bla n HIS 59 N -0.88 0.51 1.59 6.00 8.25 -1.26 -3.30 115.22 126.14 1bla n HIS 59 Ca 0.01 0.15 0.15 0.00 -0.26 0.00 0.00 57.72 57.77 1bla n HIS 59 Cb 0.01 -0.66 0.71 0.00 1.12 0.00 0.00 29.99 31.17 1bla n HIS 59 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1bla n ILE 60 N -1.99 0.00 -2.38 1.59 -5.35 -0.35 -4.22 119.36 106.66 1bla n ILE 60 Ca 0.05 -0.07 -0.37 0.00 -0.27 0.00 0.00 62.75 62.09 1bla n ILE 60 Cb 0.41 -0.15 -0.03 0.00 -1.74 0.00 0.00 39.64 38.12 1bla n ILE 60 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1bla s LYS 61 N -2.27 3.30 -0.02 6.28 1.02 -1.21 -4.64 119.74 122.21 1bla s LYS 61 Ca 0.36 -1.13 -0.19 0.00 0.02 0.00 0.00 55.97 55.02 1bla s LYS 61 Cb 0.21 -5.32 -0.05 0.00 -0.52 0.00 0.00 37.83 32.15 1bla s LYS 61 CO 0.42 -2.71 0.55 -0.51 -0.92 0.00 0.00 175.35 172.17 1bla s LEU 62 N 6.75 4.40 -0.40 3.17 1.43 -1.26 -2.95 118.68 129.83 1bla s LEU 62 Ca 0.56 1.08 -0.20 0.00 -1.03 0.00 0.00 54.13 54.54 1bla s LEU 62 Cb -0.01 -2.84 0.01 0.00 0.03 0.00 0.00 46.19 43.39 1bla s LEU 62 CO -0.01 0.12 0.61 -1.58 0.23 0.00 0.00 176.35 175.72 1bla s GLN 63 N -0.20 3.46 0.27 1.70 0.74 0.29 -2.08 119.66 123.84 1bla s GLN 63 Ca 0.29 -0.22 -0.05 0.00 0.05 0.00 0.00 55.36 55.44 1bla s GLN 63 Cb -0.17 -3.88 -0.05 0.00 1.10 0.00 0.00 33.01 30.00 1bla s GLN 63 CO 0.15 -0.85 0.53 -0.51 -0.55 0.00 0.00 175.29 174.06 1bla s LEU 64 N 2.69 4.09 -0.07 3.68 1.02 -1.26 -1.01 118.68 127.80 1bla s LEU 64 Ca 0.22 0.70 -0.03 0.00 0.02 0.00 0.00 54.13 55.04 1bla s LEU 64 Cb -0.15 -3.50 0.04 0.00 0.02 0.00 0.00 46.19 42.60 1bla s LEU 64 CO 0.16 -0.17 0.14 -1.58 0.02 0.00 0.00 176.35 174.93 1bla s GLN 65 N -3.45 0.04 -0.21 1.70 0.74 -0.05 -4.75 119.66 113.68 1bla s GLN 65 Ca 0.44 0.47 -0.29 0.00 0.05 0.00 0.00 55.36 56.02 1bla s GLN 65 Cb -0.11 -0.26 0.01 0.00 1.10 0.00 0.00 33.01 33.75 1bla s GLN 65 CO 0.29 -0.26 1.04 0.00 -0.55 0.00 0.00 175.29 175.82 1bla s ALA 66 N 1.87 3.65 0.00 1.58 0.00 -1.26 -0.04 121.76 127.56 1bla s ALA 66 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.17 1bla s ALA 66 Cb -0.12 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1bla s ALA 66 CO -0.05 -0.99 0.00 -1.91 0.00 0.00 0.00 175.76 172.80 1bla n GLU 67 N 6.14 0.00 -0.21 0.00 2.13 -0.96 -4.93 120.64 122.81 1bla n GLU 67 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 1bla n GLU 67 Cb 0.46 -0.02 0.00 0.00 0.27 0.00 0.00 31.44 32.15 1bla n GLU 67 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1bla n GLU 68 N -0.47 1.70 -2.69 5.31 1.02 -1.25 -4.96 120.64 119.30 1bla n GLU 68 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1bla n GLU 68 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1bla n GLU 68 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1bla s ARG 69 N 0.44 3.73 0.00 3.49 0.52 -1.26 -3.27 118.95 122.60 1bla s ARG 69 Ca 0.00 0.53 0.00 0.00 -0.52 0.00 0.00 55.73 55.74 1bla s ARG 69 Cb 0.00 -3.88 0.00 0.00 0.52 0.00 0.00 34.95 31.59 1bla s ARG 69 CO 0.00 -1.23 0.00 0.41 0.02 0.00 0.00 175.30 174.50 1bla n GLY 70 N 4.69 3.15 3.81 -3.53 0.00 -1.26 -5.02 105.19 107.03 1bla n GLY 70 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1bla n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bla s VAL 71 N -2.31 4.80 -0.06 1.61 1.01 -1.20 -2.00 120.40 122.25 1bla s VAL 71 Ca 0.00 1.15 -0.02 0.00 0.00 0.00 0.00 61.98 63.11 1bla s VAL 71 Cb 0.00 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.55 1bla s VAL 71 CO 0.00 0.55 0.11 0.68 0.00 0.00 0.00 175.10 176.44 1bla s VAL 72 N -1.04 -0.11 -0.22 2.92 -7.23 -1.25 -2.27 120.40 111.20 1bla s VAL 72 Ca 0.28 0.26 -0.17 0.00 -1.81 0.00 0.00 61.98 60.55 1bla s VAL 72 Cb -0.19 -0.20 -0.03 0.00 0.56 0.00 0.00 36.38 36.51 1bla s VAL 72 CO 0.18 0.11 0.46 -0.44 -0.31 0.00 0.00 175.10 175.09 1bla s SER 73 N 1.54 6.46 0.20 4.85 0.01 0.95 -3.62 113.70 124.08 1bla s SER 73 Ca -0.04 0.54 -0.10 0.00 1.31 0.00 0.00 55.95 57.66 1bla s SER 73 Cb -0.12 -2.26 -0.07 0.00 0.21 0.00 0.00 66.02 63.78 1bla s SER 73 CO -0.05 -0.16 0.52 -0.63 0.41 0.00 0.00 173.24 173.33 1bla s ILE 74 N 1.68 4.95 -0.04 1.44 1.01 -1.26 -0.87 121.20 128.12 1bla s ILE 74 Ca 0.21 0.49 -0.10 0.00 0.00 0.00 0.00 60.65 61.24 1bla s ILE 74 Cb -0.15 -3.64 0.02 0.00 0.01 0.00 0.00 42.46 38.70 1bla s ILE 74 CO 0.09 0.01 0.24 -0.75 0.00 0.00 0.00 174.94 174.53 1bla s LYS 75 N -2.60 0.49 -0.03 2.79 2.20 -0.18 -3.89 119.74 118.51 1bla s LYS 75 Ca 0.44 -0.08 -0.15 0.00 -0.36 0.00 0.00 55.97 55.82 1bla s LYS 75 Cb -0.12 0.22 -0.05 0.00 -1.51 0.00 0.00 37.83 36.36 1bla s LYS 75 CO 0.21 -0.11 0.39 0.20 -0.36 0.00 0.00 175.35 175.68 1bla s GLY 76 N -0.88 2.43 -0.05 5.54 0.00 -0.32 0.11 107.32 114.15 1bla s GLY 76 Ca -0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 44.72 44.36 1bla s GLY 76 CO 0.02 0.22 0.06 -2.08 0.00 0.00 0.00 173.10 171.33 1bla h VAL 77 N 3.93 0.00 -0.09 1.40 2.07 -1.86 -0.74 116.25 120.96 1bla h VAL 77 Ca -0.50 -0.49 -0.14 0.00 0.82 0.00 0.00 66.70 66.39 1bla h VAL 77 Cb 1.21 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1bla h VAL 77 CO 0.64 0.00 -0.57 -1.28 0.02 0.00 0.00 177.57 176.38 1bla h SER 78 N -0.53 0.31 1.27 0.57 0.87 -1.83 -2.92 113.55 111.30 1bla h SER 78 Ca -0.00 -0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 60.28 1bla h SER 78 Cb 0.03 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 1bla h SER 78 CO 0.01 0.82 -0.51 0.00 -0.53 0.00 0.00 176.83 176.61 1bla h ALA 79 N 1.19 0.73 -6.29 6.23 0.00 -1.83 -3.48 119.26 115.80 1bla h ALA 79 Ca -0.00 -0.47 -0.46 0.00 0.00 0.00 0.00 54.91 53.98 1bla h ALA 79 Cb 1.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1bla h ALA 79 CO 0.09 0.64 -0.86 0.09 0.00 0.00 0.00 179.25 179.21 1bla n ASN 80 N -3.32 -0.73 -3.81 0.00 3.02 -0.28 -4.90 115.26 105.24 1bla n ASN 80 Ca 0.01 -0.92 -0.12 0.00 -0.03 0.00 0.00 54.58 53.52 1bla n ASN 80 Cb 0.69 -3.55 -0.10 0.00 -0.61 0.00 0.00 39.78 36.22 1bla n ASN 80 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1bla s ARG 81 N -6.26 0.54 -0.10 3.52 0.52 -1.24 -4.51 118.95 111.42 1bla s ARG 81 Ca 0.00 -0.18 -0.17 0.00 -0.52 0.00 0.00 55.73 54.87 1bla s ARG 81 Cb -0.00 0.24 -0.05 0.00 0.52 0.00 0.00 34.95 35.66 1bla s ARG 81 CO 0.85 -0.13 0.43 0.71 0.02 0.00 0.00 175.30 177.18 1bla s TYR 82 N -1.10 3.56 0.57 -0.53 1.51 0.77 -1.17 117.35 120.95 1bla s TYR 82 Ca -0.12 0.86 -0.21 0.00 -1.01 0.00 0.00 57.07 56.60 1bla s TYR 82 Cb -0.06 -2.45 -0.04 0.00 -0.11 0.00 0.00 41.96 39.30 1bla s TYR 82 CO 0.03 0.29 1.34 -1.17 -1.11 0.00 0.00 175.55 174.93 1bla s LEU 83 N 0.19 3.78 -0.15 -1.29 2.96 -1.25 -2.27 118.68 120.66 1bla s LEU 83 Ca 0.24 2.72 -0.09 0.00 -0.22 0.00 0.00 54.13 56.78 1bla s LEU 83 Cb -0.15 -4.36 0.05 0.00 0.50 0.00 0.00 46.19 42.23 1bla s LEU 83 CO 0.10 -1.67 0.35 0.00 -1.32 0.00 0.00 176.35 173.81 1bla s ALA 84 N -1.33 -0.88 -0.22 5.97 0.00 0.83 -4.21 121.76 121.91 1bla s ALA 84 Ca 0.74 1.29 -0.13 0.00 0.00 0.00 0.00 51.96 53.87 1bla s ALA 84 Cb -0.39 -0.79 -0.05 0.00 0.00 0.00 0.00 23.12 21.89 1bla s ALA 84 CO 0.45 -0.23 0.26 1.41 0.00 0.00 0.00 175.76 177.65 1bla s MET 85 N 1.16 4.12 0.39 0.00 1.75 -1.17 -1.62 119.30 123.94 1bla s MET 85 Ca -0.08 -0.07 -0.07 0.00 -1.25 0.00 0.00 55.69 54.23 1bla s MET 85 Cb -0.08 -3.53 0.10 0.00 2.84 0.00 0.00 34.83 34.16 1bla s MET 85 CO -0.09 0.03 0.37 1.63 -0.65 0.00 0.00 175.02 176.31 1bla n LYS 86 N 4.31 -1.54 0.02 4.11 4.76 -0.79 -4.92 118.16 124.12 1bla n LYS 86 Ca -0.12 -0.59 0.02 0.00 -2.87 0.00 0.00 58.31 54.75 1bla n LYS 86 Cb 0.52 -0.53 -0.09 0.00 -1.84 0.00 0.00 35.03 33.09 1bla n LYS 86 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1bla n GLU 87 N -2.51 0.63 0.12 1.97 0.28 -1.26 -4.20 120.64 115.66 1bla n GLU 87 Ca 0.05 0.12 -0.23 0.00 -0.16 0.00 0.00 57.16 56.95 1bla n GLU 87 Cb 0.19 -1.74 -0.15 0.00 1.43 0.00 0.00 31.44 31.17 1bla n GLU 87 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 1bla h ASP 88 N 0.00 0.70 0.00 -1.84 3.04 -2.02 -3.48 116.42 112.83 1bla h ASP 88 Ca -0.16 -0.83 0.00 0.00 -3.24 0.00 0.00 57.03 52.80 1bla h ASP 88 Cb 1.48 -0.23 0.00 0.00 -1.04 0.00 0.00 39.33 39.55 1bla h ASP 88 CO 0.03 1.67 0.00 0.61 -2.04 0.00 0.00 179.24 179.51 1bla n GLY 89 N 1.73 -0.19 3.66 7.15 0.00 -1.26 -4.58 105.19 111.70 1bla n GLY 89 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1bla n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bla s ARG 90 N 0.00 4.24 -0.09 1.61 0.52 -1.26 -3.35 118.95 120.62 1bla s ARG 90 Ca 0.00 1.63 -0.15 0.00 -0.52 0.00 0.00 55.73 56.69 1bla s ARG 90 Cb 0.00 -3.75 -0.05 0.00 0.52 0.00 0.00 34.95 31.68 1bla s ARG 90 CO 0.00 -0.69 0.38 -0.51 0.02 0.00 0.00 175.30 174.50 1bla s LEU 91 N 3.42 4.35 0.00 2.53 1.02 -1.26 -1.88 118.68 126.86 1bla s LEU 91 Ca 0.54 0.77 -0.00 0.00 0.02 0.00 0.00 54.13 55.45 1bla s LEU 91 Cb -0.21 -2.53 0.00 0.00 0.02 0.00 0.00 46.19 43.47 1bla s LEU 91 CO 0.14 0.17 0.10 0.00 0.02 0.00 0.00 176.35 176.77 1bla n LEU 92 N 2.88 0.00 -3.97 1.79 -0.00 -0.64 -4.34 117.00 112.72 1bla n LEU 92 Ca -0.12 -0.57 -0.09 0.00 -0.00 0.00 0.00 56.01 55.23 1bla n LEU 92 Cb 0.52 0.50 -0.10 0.00 -0.00 0.00 0.00 43.42 44.34 1bla n LEU 92 CO 0.39 -0.13 -0.27 0.00 -0.00 0.00 0.00 177.39 177.38 1bla s ALA 93 N -1.83 0.08 0.08 1.47 0.00 -1.25 -0.12 121.76 120.19 1bla s ALA 93 Ca 0.06 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.26 1bla s ALA 93 Cb -0.00 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 1bla s ALA 93 CO 0.04 -0.29 0.17 -1.12 0.00 0.00 0.00 175.76 174.56 1bla s SER 94 N -2.12 0.16 0.30 0.00 0.01 -0.96 -4.79 113.70 106.29 1bla s SER 94 Ca -0.05 -0.68 0.09 0.00 1.31 0.00 0.00 55.95 56.62 1bla s SER 94 Cb -0.01 0.32 0.46 0.00 0.21 0.00 0.00 66.02 67.00 1bla s SER 94 CO -0.05 -0.71 1.68 0.11 0.41 0.00 0.00 173.24 174.68 1bla h LYS 95 N 2.79 0.08 -5.57 12.44 1.57 -1.89 0.22 116.57 126.21 1bla h LYS 95 Ca -0.34 -0.04 -0.59 0.00 -1.87 0.00 0.00 60.65 57.80 1bla h LYS 95 Cb 1.19 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.41 1bla h LYS 95 CO 0.57 0.57 -0.12 -1.12 -0.57 0.00 0.00 179.45 178.79 1bla s SER 96 N -6.88 6.57 0.77 0.86 0.01 -1.26 -4.68 113.70 109.08 1bla s SER 96 Ca -0.03 0.67 -0.11 0.00 1.31 0.00 0.00 55.95 57.80 1bla s SER 96 Cb 0.13 -2.27 0.05 0.00 0.21 0.00 0.00 66.02 64.14 1bla s SER 96 CO 0.76 -0.09 1.08 0.54 0.41 0.00 0.00 173.24 175.94 1bla s VAL 97 N 1.22 3.43 0.03 3.43 0.11 -1.26 -4.83 120.40 122.53 1bla s VAL 97 Ca 0.23 0.46 0.00 0.00 -2.93 0.00 0.00 61.98 59.75 1bla s VAL 97 Cb -0.15 -3.15 -0.00 0.00 -1.53 0.00 0.00 36.38 31.55 1bla s VAL 97 CO 0.09 -0.61 0.04 0.35 -3.33 0.00 0.00 175.10 171.64 1bla n THR 98 N -3.37 0.00 0.43 5.04 -2.24 -1.26 -5.03 114.28 107.85 1bla n THR 98 Ca 0.07 -0.19 0.13 0.00 -2.27 0.00 0.00 64.05 61.80 1bla n THR 98 Cb 0.55 0.11 0.32 0.00 -2.10 0.00 0.00 70.33 69.20 1bla n THR 98 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1bla h ASP 99 N 0.19 0.00 -0.30 3.42 5.19 -2.00 -3.00 116.42 119.92 1bla h ASP 99 Ca -0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1bla h ASP 99 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 1bla h ASP 99 CO 0.03 0.00 0.00 -0.62 -3.12 0.00 0.00 179.24 175.53 1bla n GLU 100 N -2.66 1.92 0.00 3.56 1.02 -1.26 -3.73 120.64 119.49 1bla n GLU 100 Ca 0.05 -1.40 0.13 0.00 -0.02 0.00 0.00 57.16 55.91 1bla n GLU 100 Cb 0.46 -1.38 0.36 0.00 -0.02 0.00 0.00 31.44 30.86 1bla n GLU 100 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bla s PHE 102 N -2.19 3.52 -0.23 0.00 0.08 -1.24 -4.22 117.98 113.70 1bla s PHE 102 Ca 0.31 0.69 -0.03 0.00 0.12 0.00 0.00 56.93 58.02 1bla s PHE 102 Cb 0.20 -2.18 0.12 0.00 -0.57 0.00 0.00 43.02 40.59 1bla s PHE 102 CO 0.40 -0.07 0.34 -0.06 -0.10 0.00 0.00 175.22 175.73 1bla s PHE 103 N -2.47 -0.70 -0.11 0.36 0.40 -1.24 -3.99 117.98 110.23 1bla s PHE 103 Ca 0.45 0.73 -0.30 0.00 -0.60 0.00 0.00 56.93 57.21 1bla s PHE 103 Cb -0.10 -0.05 -0.08 0.00 0.51 0.00 0.00 43.02 43.30 1bla s PHE 103 CO 0.38 -0.68 2.09 1.19 0.70 0.00 0.00 175.22 178.90 1bla n PHE 104 N 5.36 2.20 -3.23 0.36 3.72 0.06 -3.94 117.46 121.99 1bla n PHE 104 Ca -0.04 -0.20 -0.37 0.00 -0.05 0.00 0.00 57.45 56.79 1bla n PHE 104 Cb 0.50 -2.74 -0.06 0.00 -0.94 0.00 0.00 39.48 36.24 1bla n PHE 104 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1bla s GLU 105 N 5.38 4.17 -0.12 -1.08 2.12 -0.85 -0.53 118.70 127.78 1bla s GLU 105 Ca 0.96 0.72 -0.05 0.00 0.36 0.00 0.00 54.97 56.96 1bla s GLU 105 Cb -0.44 -3.02 0.06 0.00 0.26 0.00 0.00 34.13 30.99 1bla s GLU 105 CO 0.40 0.50 0.25 0.50 -0.54 0.00 0.00 175.26 176.38 1bla s ARG 106 N -1.67 0.14 -0.15 4.30 3.52 -0.49 -4.92 118.95 119.68 1bla s ARG 106 Ca 0.37 0.71 -0.19 0.00 -0.13 0.00 0.00 55.73 56.48 1bla s ARG 106 Cb -0.17 -0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.12 1bla s ARG 106 CO 0.20 -0.27 0.55 -1.17 -0.81 0.00 0.00 175.30 173.80 1bla s LEU 107 N 2.26 4.22 0.00 -0.88 2.96 -1.26 -1.34 118.68 124.63 1bla s LEU 107 Ca 0.00 0.82 -0.01 0.00 -0.22 0.00 0.00 54.13 54.72 1bla s LEU 107 Cb -0.12 -2.79 0.05 0.00 0.50 0.00 0.00 46.19 43.84 1bla s LEU 107 CO -0.08 -0.12 0.35 -0.62 -1.32 0.00 0.00 176.35 174.55 1bla n GLU 108 N 4.30 0.17 -1.53 1.98 1.02 -1.03 -4.95 120.64 120.59 1bla n GLU 108 Ca -0.04 -0.81 -0.29 0.00 -0.02 0.00 0.00 57.16 56.00 1bla n GLU 108 Cb 0.51 -0.27 -0.04 0.00 -0.02 0.00 0.00 31.44 31.62 1bla n GLU 108 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1bla n SER 109 N -3.05 6.65 -0.98 1.62 2.88 -1.26 -4.04 113.62 115.44 1bla n SER 109 Ca 0.05 -3.31 -0.02 0.00 -1.33 0.00 0.00 58.87 54.27 1bla n SER 109 Cb 0.19 -1.20 -0.02 0.00 -0.75 0.00 0.00 64.21 62.43 1bla n SER 109 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1bla n ASN 110 N 0.61 -0.10 0.00 -3.46 3.02 -1.26 -4.95 115.26 109.12 1bla n ASN 110 Ca 0.49 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.23 1bla n ASN 110 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1bla n ASN 110 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bla n ASN 111 N 0.14 0.00 -4.83 6.41 4.13 -1.26 -4.91 115.26 114.95 1bla n ASN 111 Ca -0.09 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.79 1bla n ASN 111 Cb 0.79 -2.47 -0.06 0.00 -1.54 0.00 0.00 39.78 36.51 1bla n ASN 111 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1bla s TYR 112 N -1.04 3.65 0.43 3.10 2.02 -1.26 -4.91 117.35 119.35 1bla s TYR 112 Ca 0.00 0.81 0.03 0.00 -0.37 0.00 0.00 57.07 57.54 1bla s TYR 112 Cb 0.00 -2.21 0.00 0.00 -0.40 0.00 0.00 41.96 39.35 1bla s TYR 112 CO 0.00 0.60 0.63 -0.80 -1.57 0.00 0.00 175.55 174.41 1bla s ASN 113 N -0.81 5.78 -0.13 2.29 0.01 -0.48 -2.47 114.94 119.13 1bla s ASN 113 Ca 0.20 0.08 -0.04 0.00 -0.71 0.00 0.00 52.86 52.39 1bla s ASN 113 Cb -0.15 -1.31 0.06 0.00 0.41 0.00 0.00 41.25 40.27 1bla s ASN 113 CO 0.09 -0.70 0.19 0.42 -1.51 0.00 0.00 177.10 175.60 1bla s THR 114 N -2.47 -0.29 -0.39 1.60 -4.23 -0.45 -1.90 115.64 107.50 1bla s THR 114 Ca 0.49 0.17 -0.18 0.00 -1.18 0.00 0.00 61.69 60.99 1bla s THR 114 Cb -0.10 -0.45 0.01 0.00 1.34 0.00 0.00 72.50 73.30 1bla s THR 114 CO 0.36 0.01 0.49 -0.31 -0.54 0.00 0.00 174.62 174.63 1bla s TYR 115 N 2.31 3.16 0.00 3.99 2.02 -1.26 -1.39 117.35 126.18 1bla s TYR 115 Ca 0.04 -0.11 -0.08 0.00 -0.37 0.00 0.00 57.07 56.55 1bla s TYR 115 Cb -0.13 -2.97 -0.05 0.00 -0.40 0.00 0.00 41.96 38.41 1bla s TYR 115 CO -0.08 -0.65 0.28 0.50 -1.57 0.00 0.00 175.55 174.03 1bla s ARG 116 N 2.33 3.62 0.69 -0.62 3.52 0.31 -2.51 118.95 126.29 1bla s ARG 116 Ca 0.16 -0.01 -0.14 0.00 -0.13 0.00 0.00 55.73 55.61 1bla s ARG 116 Cb -0.16 -3.09 0.02 0.00 -1.56 0.00 0.00 34.95 30.16 1bla s ARG 116 CO 0.14 0.65 1.13 0.45 -0.81 0.00 0.00 175.30 176.86 1bla s SER 117 N -1.59 4.84 0.00 -2.12 0.15 -1.02 -0.76 113.70 113.20 1bla s SER 117 Ca 0.27 2.05 0.00 0.00 0.70 0.00 0.00 55.95 58.96 1bla s SER 117 Cb -0.13 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1bla s SER 117 CO 0.15 -1.81 0.00 -1.14 1.20 0.00 0.00 173.24 171.64 1bla n ARG 118 N -2.62 0.00 0.02 5.44 0.63 -1.26 -2.95 116.66 115.93 1bla n ARG 118 Ca 0.11 0.06 0.01 0.00 -0.92 0.00 0.00 57.85 57.10 1bla n ARG 118 Cb 0.52 -0.35 0.04 0.00 0.45 0.00 0.00 32.46 33.12 1bla n ARG 118 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1bla n LYS 119 N -1.61 0.01 -3.13 -0.14 3.00 -1.26 -1.89 118.16 113.14 1bla n LYS 119 Ca 0.00 0.30 -0.19 0.00 -0.00 0.00 0.00 58.31 58.42 1bla n LYS 119 Cb 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 35.03 33.22 1bla n LYS 119 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1bla n TYR 120 N -1.35 -0.46 0.14 5.64 4.01 -1.26 -4.92 117.16 118.96 1bla n TYR 120 Ca -0.00 -3.47 0.01 0.00 -0.16 0.00 0.00 57.90 54.27 1bla n TYR 120 Cb 0.25 -0.11 0.06 0.00 -0.31 0.00 0.00 39.34 39.23 1bla n TYR 120 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1bla n THR 121 N 0.74 0.00 0.77 -0.72 -2.24 -0.79 -1.38 114.28 110.66 1bla n THR 121 Ca 0.21 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.05 1bla n THR 121 Cb 0.62 -0.92 0.17 0.00 -2.10 0.00 0.00 70.33 68.09 1bla n THR 121 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1bla n SER 122 N -0.96 2.07 -3.69 3.42 7.64 -1.26 -4.83 113.62 116.01 1bla n SER 122 Ca 0.01 -2.03 -0.13 0.00 1.01 0.00 0.00 58.87 57.74 1bla n SER 122 Cb 0.01 -0.27 -0.09 0.00 -1.01 0.00 0.00 64.21 62.85 1bla n SER 122 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1bla s TRP 123 N -1.53 -0.63 0.39 1.43 0.51 -0.48 -4.94 118.94 113.69 1bla s TRP 123 Ca 0.25 1.48 0.08 0.00 -2.12 0.00 0.00 56.10 55.78 1bla s TRP 123 Cb 0.13 0.24 -0.01 0.00 -0.81 0.00 0.00 33.47 33.03 1bla s TRP 123 CO 0.16 -0.31 0.45 0.71 -0.51 0.00 0.00 176.95 177.45 1bla s TYR 124 N 0.51 2.85 -0.12 -1.98 1.51 -1.26 -2.43 117.35 116.42 1bla s TYR 124 Ca -0.02 -0.38 -0.20 0.00 -1.01 0.00 0.00 57.07 55.47 1bla s TYR 124 Cb -0.04 -2.15 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 1bla s TYR 124 CO -0.02 -0.15 0.55 0.08 -1.11 0.00 0.00 175.55 174.89 1bla s VAL 125 N -2.35 5.13 -0.20 0.71 1.01 -1.05 -4.76 120.40 118.90 1bla s VAL 125 Ca 0.49 1.10 -0.19 0.00 0.00 0.00 0.00 61.98 63.38 1bla s VAL 125 Cb -0.07 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.47 1bla s VAL 125 CO 0.30 0.28 0.53 0.00 0.00 0.00 0.00 175.10 176.21 1bla s ALA 126 N 0.87 -1.31 0.65 5.51 0.00 -1.26 -4.63 121.76 121.58 1bla s ALA 126 Ca 0.29 1.48 0.01 0.00 0.00 0.00 0.00 51.96 53.75 1bla s ALA 126 Cb -0.16 -0.85 0.09 0.00 0.00 0.00 0.00 23.12 22.20 1bla s ALA 126 CO 0.12 -0.25 0.90 -0.51 0.00 0.00 0.00 175.76 176.02 1bla s LEU 127 N 0.25 3.09 0.00 0.00 1.43 -1.26 -3.05 118.68 119.14 1bla s LEU 127 Ca -0.00 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1bla s LEU 127 Cb -0.04 -2.18 0.03 0.00 0.03 0.00 0.00 46.19 44.04 1bla s LEU 127 CO 0.01 -1.58 0.22 0.29 0.23 0.00 0.00 176.35 175.52 1bla n LYS 128 N -2.60 0.50 0.06 1.70 5.02 0.63 -4.52 118.16 118.95 1bla n LYS 128 Ca 0.13 -0.63 0.11 0.00 -2.02 0.00 0.00 58.31 55.91 1bla n LYS 128 Cb 0.60 -0.14 -0.00 0.00 -0.02 0.00 0.00 35.03 35.47 1bla n LYS 128 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1bla n ARG 129 N -1.41 0.49 -0.09 1.97 1.85 -1.26 -3.79 116.66 114.42 1bla n ARG 129 Ca 0.04 0.03 0.10 0.00 -1.00 0.00 0.00 57.85 57.02 1bla n ARG 129 Cb 0.13 -1.70 0.35 0.00 -1.05 0.00 0.00 32.46 30.20 1bla n ARG 129 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1bla n THR 130 N -2.35 0.24 -0.46 8.89 5.66 -1.26 -4.86 114.28 120.14 1bla n THR 130 Ca 0.00 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.65 1bla n THR 130 Cb 0.51 0.34 0.00 0.00 -1.55 0.00 0.00 70.33 69.63 1bla n THR 130 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bla n GLY 131 N 1.11 0.73 3.93 1.09 0.00 -1.25 -5.04 105.19 105.76 1bla n GLY 131 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1bla n GLY 131 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bla s GLN 132 N -0.54 2.38 -0.25 1.61 -1.52 -1.26 -2.19 119.66 117.89 1bla s GLN 132 Ca 0.00 -0.20 -0.21 0.00 -1.95 0.00 0.00 55.36 53.00 1bla s GLN 132 Cb 0.00 -2.20 -0.02 0.00 -0.22 0.00 0.00 33.01 30.57 1bla s GLN 132 CO 0.00 -1.10 0.65 1.52 -0.25 0.00 0.00 175.29 176.11 1bla s TYR 133 N -3.18 3.29 0.20 0.91 1.13 -1.26 -0.27 117.35 118.17 1bla s TYR 133 Ca 0.59 0.86 -0.30 0.00 -1.41 0.00 0.00 57.07 56.81 1bla s TYR 133 Cb -0.11 -2.86 -0.09 0.00 -1.10 0.00 0.00 41.96 37.81 1bla s TYR 133 CO 0.45 -0.32 1.30 0.21 -2.51 0.00 0.00 175.55 174.67 1bla s LYS 134 N 2.50 4.40 0.35 -3.49 2.20 -1.17 -4.78 119.74 119.75 1bla s LYS 134 Ca 0.27 2.04 -0.28 0.00 -0.36 0.00 0.00 55.97 57.64 1bla s LYS 134 Cb -0.15 -3.20 -0.12 0.00 -1.51 0.00 0.00 37.83 32.85 1bla s LYS 134 CO 0.08 -0.23 1.35 -0.11 -0.36 0.00 0.00 175.35 176.09 1bla n LEU 135 N 2.55 3.88 0.00 5.43 7.94 -1.26 -4.79 117.00 130.75 1bla n LEU 135 Ca 0.06 1.21 0.04 0.00 -1.11 0.00 0.00 56.01 56.21 1bla n LEU 135 Cb 0.43 -1.52 0.23 0.00 0.53 0.00 0.00 43.42 43.09 1bla n LEU 135 CO 0.58 -0.30 0.45 0.61 -1.11 0.00 0.00 177.39 177.62 1bla n GLY 136 N 0.77 -0.27 0.09 -3.96 0.00 -1.21 -1.64 105.19 98.96 1bla n GLY 136 Ca 0.04 -0.05 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 1bla n GLY 136 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bla n SER 137 N -0.96 0.57 0.00 1.61 3.41 -1.26 -4.03 113.62 112.96 1bla n SER 137 Ca 0.06 0.27 0.12 0.00 -0.26 0.00 0.00 58.87 59.06 1bla n SER 137 Cb 0.03 0.38 0.25 0.00 -0.26 0.00 0.00 64.21 64.60 1bla n SER 137 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bla n LYS 138 N -2.90 0.00 -1.71 4.33 5.02 -0.65 -4.90 118.16 117.36 1bla n LYS 138 Ca -0.20 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.77 1bla n LYS 138 Cb 1.03 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.58 1bla n LYS 138 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1bla s THR 139 N -3.00 3.61 -4.97 -0.18 -4.23 -1.16 -5.00 115.64 100.71 1bla s THR 139 Ca 0.11 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.27 1bla s THR 139 Cb 0.17 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1bla s THR 139 CO 0.70 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 1bla n GLY 140 N -1.12 -2.94 3.43 3.99 0.00 -1.26 -4.73 105.19 102.56 1bla n GLY 140 Ca 0.09 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 1bla n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bla s PRO 141 N -2.00 -1.59 0.00 1.61 0.02 -1.26 -3.40 135.00 128.37 1bla s PRO 141 Ca 0.00 0.65 0.00 0.00 0.02 0.00 0.00 61.00 61.67 1bla s PRO 141 Cb 0.00 -1.49 0.00 0.00 0.02 0.00 0.00 34.50 33.03 1bla s PRO 141 CO 0.00 -4.12 0.00 0.41 -0.33 0.00 0.00 177.00 172.96 1bla n GLY 142 N 1.06 1.57 3.72 0.52 0.00 -1.26 -4.95 105.19 105.85 1bla n GLY 142 Ca 0.05 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1bla n GLY 142 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bla s GLN 143 N 0.00 4.54 0.00 1.61 -0.21 -1.22 -4.90 119.66 119.48 1bla s GLN 143 Ca 0.00 1.67 0.20 0.00 0.02 0.00 0.00 55.36 57.25 1bla s GLN 143 Cb 0.00 -3.34 0.95 0.00 1.00 0.00 0.00 33.01 31.62 1bla s GLN 143 CO 0.00 -0.05 1.64 1.63 -2.12 0.00 0.00 175.29 176.39 1bla n LYS 144 N 3.20 1.38 0.00 2.91 5.02 -1.26 -3.83 118.16 125.58 1bla n LYS 144 Ca 0.05 -0.57 0.04 0.00 -2.02 0.00 0.00 58.31 55.81 1bla n LYS 144 Cb 0.47 -1.35 0.22 0.00 -0.02 0.00 0.00 35.03 34.35 1bla n LYS 144 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bla n ALA 145 N -0.22 1.69 1.09 7.82 0.00 -1.26 -1.05 120.51 128.59 1bla n ALA 145 Ca 0.15 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.67 1bla n ALA 145 Cb 0.21 -1.13 0.17 0.00 0.00 0.00 0.00 19.45 18.70 1bla n ALA 145 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1bla n ILE 146 N -1.12 0.00 -2.63 0.00 -5.35 -1.25 -4.46 119.36 104.55 1bla n ILE 146 Ca 0.05 -0.11 -0.42 0.00 -0.27 0.00 0.00 62.75 62.00 1bla n ILE 146 Cb 0.04 0.68 -0.03 0.00 -1.74 0.00 0.00 39.64 38.60 1bla n ILE 146 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1bla s LEU 147 N -2.69 3.80 0.42 7.28 1.43 -0.21 -4.21 118.68 124.50 1bla s LEU 147 Ca 0.17 -1.63 0.02 0.00 -1.03 0.00 0.00 54.13 51.66 1bla s LEU 147 Cb 0.18 -2.54 -0.01 0.00 0.03 0.00 0.00 46.19 43.85 1bla s LEU 147 CO 0.63 -1.41 0.62 -0.36 0.23 0.00 0.00 176.35 176.07 1bla s PHE 148 N 4.51 3.21 -0.40 0.29 0.40 -0.80 -3.10 117.98 122.10 1bla s PHE 148 Ca 0.44 0.14 0.08 0.00 -0.60 0.00 0.00 56.93 56.99 1bla s PHE 148 Cb -0.01 -2.23 0.25 0.00 0.51 0.00 0.00 43.02 41.54 1bla s PHE 148 CO -0.09 -0.27 0.51 -0.11 0.70 0.00 0.00 175.22 175.97 1bla n LEU 149 N -1.98 0.21 -4.58 -0.37 7.94 -0.71 -1.38 117.00 116.13 1bla n LEU 149 Ca 0.01 -4.69 -0.41 0.00 -1.11 0.00 0.00 56.01 49.81 1bla n LEU 149 Cb 0.58 0.61 -0.03 0.00 0.53 0.00 0.00 43.42 45.10 1bla n LEU 149 CO 0.46 2.06 1.85 -2.84 -1.11 0.00 0.00 177.39 177.81 1bla s PRO 150 N -1.14 2.79 -0.25 1.96 0.02 -1.26 -3.68 135.00 133.45 1bla s PRO 150 Ca 0.35 1.67 -0.13 0.00 0.02 0.00 0.00 61.00 62.91 1bla s PRO 150 Cb 0.16 -4.42 -0.04 0.00 0.02 0.00 0.00 34.50 30.22 1bla s PRO 150 CO -0.11 -2.49 0.27 -1.64 -0.33 0.00 0.00 177.00 172.70 1bla s MET 151 N 6.92 4.05 0.22 5.54 -1.94 -0.93 -4.87 119.30 128.27 1bla s MET 151 Ca 0.95 -0.10 -0.30 0.00 -1.71 0.00 0.00 55.69 54.53 1bla s MET 151 Cb -0.25 -3.60 -0.09 0.00 2.01 0.00 0.00 34.83 32.90 1bla s MET 151 CO 0.31 -0.11 1.27 0.45 -0.01 0.00 0.00 175.02 176.94 1bla s SER 152 N 1.37 6.94 -1.07 3.03 0.15 -1.26 -2.40 113.70 120.46 1bla s SER 152 Ca 0.12 2.39 -0.06 0.00 0.70 0.00 0.00 55.95 59.09 1bla s SER 152 Cb -0.15 -2.61 -0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1bla s SER 152 CO 0.08 -0.47 2.79 0.00 1.20 0.00 0.00 173.24 176.83 1bla n ALA 153 N 2.32 6.91 -1.00 5.45 0.00 -1.19 -4.74 120.51 128.25 1bla n ALA 153 Ca 0.05 -3.44 0.00 0.00 0.00 0.00 0.00 53.44 50.05 1bla n ALA 153 Cb 0.43 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 17.12 1bla n ALA 153 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bla n LYS 154 N 2.19 0.00 0.00 0.00 5.02 -1.26 -4.92 118.16 119.19 1bla n LYS 154 Ca 0.62 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.96 1bla n LYS 154 Cb 0.39 -0.91 0.27 0.00 -0.02 0.00 0.00 35.03 34.77 1bla n LYS 154 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31