#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwl s PHE 2 N 0.00 3.16 0.16 7.33 0.08 -1.26 -0.54 117.98 126.91 1bwl s PHE 2 Ca 0.00 0.48 -0.31 0.00 0.12 0.00 0.00 56.93 57.22 1bwl s PHE 2 Cb 0.00 -2.73 -0.09 0.00 -0.57 0.00 0.00 43.02 39.63 1bwl s PHE 2 CO 0.00 -0.83 1.51 0.08 -0.10 0.00 0.00 175.22 175.88 1bwl s VAL 3 N -2.93 2.82 0.00 -0.44 1.01 -0.32 -4.57 120.40 115.97 1bwl s VAL 3 Ca 0.54 0.60 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1bwl s VAL 3 Cb -0.10 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1bwl s VAL 3 CO 0.43 0.05 0.53 0.29 0.00 0.00 0.00 175.10 176.40 1bwl n LYS 4 N 3.85 0.00 -1.75 2.72 4.76 -1.26 -4.10 118.16 122.38 1bwl n LYS 4 Ca 0.13 0.05 -0.33 0.00 -2.87 0.00 0.00 58.31 55.29 1bwl n LYS 4 Cb 0.40 -1.03 -0.02 0.00 -1.84 0.00 0.00 35.03 32.53 1bwl n LYS 4 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1bwl n ASP 5 N -0.66 7.03 -4.31 4.39 8.00 -1.26 -4.90 116.55 124.84 1bwl n ASP 5 Ca 0.00 -3.37 -0.34 0.00 0.71 0.00 0.00 54.79 51.79 1bwl n ASP 5 Cb 0.00 -1.21 -0.14 0.00 -0.02 0.00 0.00 41.12 39.74 1bwl n ASP 5 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1bwl s PHE 6 N -2.35 2.86 -0.74 1.24 5.36 -1.26 -5.07 117.98 118.04 1bwl s PHE 6 Ca 0.55 -0.91 -0.13 0.00 -0.96 0.00 0.00 56.93 55.47 1bwl s PHE 6 Cb 0.35 -1.96 0.19 0.00 -0.34 0.00 0.00 43.02 41.26 1bwl s PHE 6 CO -0.24 -0.44 0.67 0.15 -1.46 0.00 0.00 175.22 173.90 1bwl s LYS 7 N 0.94 3.35 0.96 10.12 3.01 -1.26 -5.02 119.74 131.84 1bwl s LYS 7 Ca -0.02 -2.28 -0.11 0.00 -1.01 0.00 0.00 55.97 52.55 1bwl s LYS 7 Cb -0.15 -4.33 0.14 0.00 -1.01 0.00 0.00 37.83 32.47 1bwl s LYS 7 CO -0.01 -1.29 0.91 -0.35 0.51 0.00 0.00 175.35 175.13 1bwl n PRO 8 N 4.25 -0.68 -3.72 -1.68 -0.04 -1.26 -5.00 135.00 126.87 1bwl n PRO 8 Ca 0.06 -0.14 -0.16 0.00 -0.04 0.00 0.00 63.50 63.22 1bwl n PRO 8 Cb 0.45 -2.20 -0.16 0.00 -0.04 0.00 0.00 33.50 31.54 1bwl n PRO 8 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1bwl s GLN 9 N -4.33 -0.00 0.11 0.54 0.74 -1.26 -4.99 119.66 110.47 1bwl s GLN 9 Ca 0.64 0.36 -0.31 0.00 0.05 0.00 0.00 55.36 56.10 1bwl s GLN 9 Cb -0.22 -0.30 -0.09 0.00 1.10 0.00 0.00 33.01 33.50 1bwl s GLN 9 CO 0.61 -0.24 1.63 0.00 -0.55 0.00 0.00 175.29 176.75 1bwl s ALA 10 N 1.62 3.72 -0.25 1.58 0.00 -1.26 -4.10 121.76 123.07 1bwl s ALA 10 Ca -0.03 1.28 0.16 0.00 0.00 0.00 0.00 51.96 53.37 1bwl s ALA 10 Cb -0.12 -3.67 0.50 0.00 0.00 0.00 0.00 23.12 19.83 1bwl s ALA 10 CO -0.04 -0.99 1.40 1.28 0.00 0.00 0.00 175.76 177.40 1bwl n LEU 11 N 5.01 3.75 0.22 0.00 4.32 0.05 -4.61 117.00 125.74 1bwl n LEU 11 Ca 0.15 -2.92 0.11 0.00 -0.02 0.00 0.00 56.01 53.33 1bwl n LEU 11 Cb 0.40 -0.51 0.42 0.00 -1.62 0.00 0.00 43.42 42.11 1bwl n LEU 11 CO 0.62 0.68 0.81 1.23 -1.22 0.00 0.00 177.39 179.51 1bwl h GLY 12 N 1.78 0.00 -3.50 -0.72 0.00 -1.59 -3.14 103.07 95.90 1bwl h GLY 12 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 1bwl h GLY 12 CO 0.20 0.00 0.51 2.09 0.00 0.00 0.00 176.54 179.34 1bwl n ASP 13 N -3.28 4.60 -4.22 0.19 5.75 -1.26 -4.77 116.55 113.56 1bwl n ASP 13 Ca 0.01 -3.21 -0.26 0.00 -0.01 0.00 0.00 54.79 51.32 1bwl n ASP 13 Cb 0.45 -0.83 -0.08 0.00 -1.03 0.00 0.00 41.12 39.63 1bwl n ASP 13 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1bwl s THR 14 N -2.66 0.72 -1.27 2.12 -4.23 -1.19 -5.03 115.64 104.11 1bwl s THR 14 Ca 0.42 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.16 1bwl s THR 14 Cb 0.34 -2.37 0.33 0.00 1.34 0.00 0.00 72.50 72.14 1bwl s THR 14 CO 0.05 0.00 1.75 0.59 -0.54 0.00 0.00 174.62 176.47 1bwl n ASN 15 N -1.25 0.00 0.26 3.99 3.02 -1.26 -3.18 115.26 116.85 1bwl n ASN 15 Ca -0.07 0.15 0.12 0.00 -0.03 0.00 0.00 54.58 54.75 1bwl n ASN 15 Cb 0.65 -0.36 0.72 0.00 -0.61 0.00 0.00 39.78 40.18 1bwl n ASN 15 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1bwl h LEU 16 N 0.00 0.00 -3.39 3.41 5.85 -1.86 -2.48 115.31 116.83 1bwl h LEU 16 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1bwl h LEU 16 Cb 0.28 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1bwl h LEU 16 CO 0.00 0.10 0.02 0.49 -0.34 0.00 0.00 178.44 178.71 1bwl n PHE 17 N -3.84 1.41 -3.75 1.25 3.72 -1.19 0.11 117.46 115.17 1bwl n PHE 17 Ca -0.02 -0.88 -0.37 0.00 -0.05 0.00 0.00 57.45 56.12 1bwl n PHE 17 Cb 0.20 -0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 38.27 1bwl n PHE 17 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1bwl s LYS 18 N -2.84 3.62 0.88 -1.08 -0.14 -0.94 -4.69 119.74 114.54 1bwl s LYS 18 Ca 0.47 0.05 -0.10 0.00 -1.36 0.00 0.00 55.97 55.03 1bwl s LYS 18 Cb 0.38 -3.21 0.12 0.00 -1.68 0.00 0.00 37.83 33.44 1bwl s LYS 18 CO 0.11 0.74 1.12 -2.14 -0.76 0.00 0.00 175.35 174.42 1bwl s PRO 19 N -1.01 1.35 -0.12 -1.68 0.02 -1.25 -4.09 135.00 128.22 1bwl s PRO 19 Ca 0.18 1.39 -0.30 0.00 0.02 0.00 0.00 61.00 62.29 1bwl s PRO 19 Cb -0.14 -1.78 0.08 0.00 0.02 0.00 0.00 34.50 32.69 1bwl s PRO 19 CO 0.07 -2.35 0.76 -1.50 -0.33 0.00 0.00 177.00 173.65 1bwl s ILE 20 N -2.73 0.00 -0.32 2.83 2.07 -1.03 -4.95 121.20 117.07 1bwl s ILE 20 Ca 0.65 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.79 1bwl s ILE 20 Cb -0.21 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.38 1bwl s ILE 20 CO 0.58 0.00 0.16 -0.75 -1.91 0.00 0.00 174.94 173.02 1bwl s LYS 21 N -0.86 3.27 -0.29 3.50 2.20 -1.26 -1.47 119.74 124.83 1bwl s LYS 21 Ca -0.07 -0.77 -0.06 0.00 -0.36 0.00 0.00 55.97 54.72 1bwl s LYS 21 Cb -0.01 -3.60 0.01 0.00 -1.51 0.00 0.00 37.83 32.72 1bwl s LYS 21 CO 0.06 -0.46 0.06 0.42 -0.36 0.00 0.00 175.35 175.08 1bwl s ILE 22 N 1.61 3.78 0.00 5.43 -1.09 0.15 -4.93 121.20 126.15 1bwl s ILE 22 Ca 0.04 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 1bwl s ILE 22 Cb -0.17 -2.96 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 1bwl s ILE 22 CO 0.06 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.46 1bwl n GLY 23 N 4.83 2.64 0.00 6.18 0.00 -1.26 -0.45 105.19 117.13 1bwl n GLY 23 Ca -0.15 0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.01 1bwl n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bwl n ASN 24 N 10.10 0.80 -4.74 1.61 5.03 -1.26 -4.99 115.26 121.80 1bwl n ASN 24 Ca 0.00 -0.84 -0.41 0.00 0.87 0.00 0.00 54.58 54.20 1bwl n ASN 24 Cb 0.00 1.04 -0.05 0.00 -1.02 0.00 0.00 39.78 39.75 1bwl n ASN 24 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1bwl s ASN 25 N -2.63 7.49 -0.46 6.41 0.02 0.41 -5.03 114.94 121.15 1bwl s ASN 25 Ca 0.06 1.78 -0.05 0.00 -1.02 0.00 0.00 52.86 53.62 1bwl s ASN 25 Cb 0.12 -2.57 0.12 0.00 0.02 0.00 0.00 41.25 38.94 1bwl s ASN 25 CO 0.68 0.02 0.28 -1.61 0.02 0.00 0.00 177.10 176.49 1bwl s GLU 26 N -0.36 2.23 0.32 -0.60 2.02 -1.26 0.30 118.70 121.34 1bwl s GLU 26 Ca 0.44 -1.89 -0.24 0.00 0.02 0.00 0.00 54.97 53.29 1bwl s GLU 26 Cb -0.24 -3.71 -0.10 0.00 0.10 0.00 0.00 34.13 30.18 1bwl s GLU 26 CO 0.29 -1.12 0.91 -0.51 0.02 0.00 0.00 175.26 174.85 1bwl s LEU 27 N 1.06 4.28 0.00 1.80 1.43 -0.54 -4.76 118.68 121.94 1bwl s LEU 27 Ca 0.09 1.75 0.27 0.00 -1.03 0.00 0.00 54.13 55.21 1bwl s LEU 27 Cb -0.23 -4.02 0.92 0.00 0.03 0.00 0.00 46.19 42.89 1bwl s LEU 27 CO -0.03 -0.09 1.68 0.18 0.23 0.00 0.00 176.35 178.31 1bwl n LEU 28 N 0.41 0.67 -3.80 1.79 4.32 -0.83 -2.46 117.00 117.11 1bwl n LEU 28 Ca 0.02 -0.07 -0.06 0.00 -0.02 0.00 0.00 56.01 55.88 1bwl n LEU 28 Cb 0.51 -0.19 -0.02 0.00 -1.62 0.00 0.00 43.42 42.10 1bwl n LEU 28 CO 0.43 0.13 0.55 -1.38 -1.22 0.00 0.00 177.39 175.91 1bwl s HIS 29 N -2.60 -0.18 -0.26 -1.77 -3.43 -1.26 -3.94 115.29 101.85 1bwl s HIS 29 Ca 0.23 -0.21 0.12 0.00 -0.80 0.00 0.00 55.06 54.40 1bwl s HIS 29 Cb 0.19 0.68 0.54 0.00 -1.43 0.00 0.00 32.58 32.57 1bwl s HIS 29 CO 0.53 -1.08 1.50 0.54 -2.00 0.00 0.00 174.74 174.24 1bwl n ARG 30 N -0.46 2.46 -3.50 -0.38 1.74 0.30 -4.82 116.66 112.00 1bwl n ARG 30 Ca -0.05 -3.02 -0.42 0.00 -0.77 0.00 0.00 57.85 53.58 1bwl n ARG 30 Cb 0.60 -1.88 -0.09 0.00 -1.02 0.00 0.00 32.46 30.07 1bwl n ARG 30 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bwl s ALA 31 N -3.06 3.42 0.24 7.54 0.00 -1.26 -1.19 121.76 127.45 1bwl s ALA 31 Ca 0.45 -2.20 0.05 0.00 0.00 0.00 0.00 51.96 50.27 1bwl s ALA 31 Cb 0.39 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 1bwl s ALA 31 CO 0.05 -1.72 0.33 0.14 0.00 0.00 0.00 175.76 174.55 1bwl s VAL 32 N 1.51 5.12 -0.44 0.00 -7.23 0.53 -4.69 120.40 115.20 1bwl s VAL 32 Ca 0.04 -1.04 -0.20 0.00 -1.81 0.00 0.00 61.98 58.97 1bwl s VAL 32 Cb -0.24 -3.77 0.02 0.00 0.56 0.00 0.00 36.38 32.95 1bwl s VAL 32 CO 0.03 -0.32 0.59 -0.63 -0.31 0.00 0.00 175.10 174.47 1bwl s ILE 33 N -1.99 4.90 0.93 -0.62 1.01 -1.09 -1.60 121.20 122.74 1bwl s ILE 33 Ca 0.34 -0.04 -0.12 0.00 0.00 0.00 0.00 60.65 60.83 1bwl s ILE 33 Cb -0.09 -4.17 0.15 0.00 0.01 0.00 0.00 42.46 38.36 1bwl s ILE 33 CO 0.28 -0.56 1.11 -2.16 0.00 0.00 0.00 174.94 173.61 1bwl s PRO 34 N 2.63 1.00 0.18 2.79 0.04 -1.26 -1.49 135.00 138.88 1bwl s PRO 34 Ca 0.19 0.48 -0.31 0.00 0.04 0.00 0.00 61.00 61.40 1bwl s PRO 34 Cb -0.15 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 1bwl s PRO 34 CO 0.17 -2.34 1.47 -1.25 0.04 0.00 0.00 177.00 175.10 1bwl s PRO 35 N -5.11 4.27 -0.16 0.56 0.04 -1.21 -4.63 135.00 128.76 1bwl s PRO 35 Ca 0.64 2.25 -0.04 0.00 0.04 0.00 0.00 61.00 63.89 1bwl s PRO 35 Cb -0.16 -3.17 0.06 0.00 0.04 0.00 0.00 34.50 31.27 1bwl s PRO 35 CO 0.55 -0.49 0.08 -0.51 0.04 0.00 0.00 177.00 176.68 1bwl s LEU 36 N 0.60 0.43 0.08 -3.56 1.43 -1.26 -4.90 118.68 111.51 1bwl s LEU 36 Ca 0.65 -0.57 -0.31 0.00 -1.03 0.00 0.00 54.13 52.87 1bwl s LEU 36 Cb -0.41 -0.28 -0.06 0.00 0.03 0.00 0.00 46.19 45.47 1bwl s LEU 36 CO 0.35 -0.33 1.22 -0.89 0.23 0.00 0.00 176.35 176.93 1bwl s THR 37 N 2.11 3.89 0.00 5.49 2.01 -1.26 -4.27 115.64 123.60 1bwl s THR 37 Ca 0.02 1.38 0.00 0.00 0.31 0.00 0.00 61.69 63.40 1bwl s THR 37 Cb -0.16 -3.88 0.00 0.00 0.01 0.00 0.00 72.50 68.47 1bwl s THR 37 CO -0.08 0.12 0.33 0.54 -0.69 0.00 0.00 174.62 174.84 1bwl n ARG 38 N 3.74 0.12 -3.94 4.92 5.12 -1.26 -4.83 116.66 120.52 1bwl n ARG 38 Ca 0.09 -0.33 -0.31 0.00 -1.93 0.00 0.00 57.85 55.36 1bwl n ARG 38 Cb 0.46 -0.82 0.02 0.00 -1.16 0.00 0.00 32.46 30.96 1bwl n ARG 38 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1bwl n MET 39 N -0.11 -5.35 -0.22 5.56 2.81 -1.26 -3.98 117.12 114.57 1bwl n MET 39 Ca 0.00 0.58 0.09 0.00 -1.81 0.00 0.00 57.70 56.56 1bwl n MET 39 Cb 0.05 -5.46 0.21 0.00 -0.71 0.00 0.00 33.22 27.31 1bwl n MET 39 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1bwl n ARG 40 N -4.67 2.49 -2.64 0.03 3.00 -1.18 -4.58 116.66 109.11 1bwl n ARG 40 Ca 0.05 -2.22 -0.39 0.00 -0.01 0.00 0.00 57.85 55.28 1bwl n ARG 40 Cb 0.52 -1.43 -0.05 0.00 0.00 0.00 0.00 32.46 31.50 1bwl n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bwl s ALA 41 N -1.14 3.28 0.20 7.54 0.00 -0.17 -3.68 121.76 127.79 1bwl s ALA 41 Ca 0.35 0.70 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 1bwl s ALA 41 Cb 0.19 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.98 1bwl s ALA 41 CO 0.26 0.01 1.08 -0.51 0.00 0.00 0.00 175.76 176.60 1bwl s LEU 42 N -1.73 4.51 -0.07 0.00 1.43 0.35 -4.18 118.68 118.99 1bwl s LEU 42 Ca 0.47 2.10 0.03 0.00 -1.03 0.00 0.00 54.13 55.70 1bwl s LEU 42 Cb -0.25 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.34 1bwl s LEU 42 CO 0.32 -0.17 -0.17 -2.28 0.23 0.00 0.00 176.35 174.28 1bwl s HIS 43 N -0.46 2.66 0.75 0.29 5.65 -1.26 -1.33 115.29 121.58 1bwl s HIS 43 Ca 0.48 -0.44 -0.11 0.00 0.25 0.00 0.00 55.06 55.23 1bwl s HIS 43 Cb -0.29 -1.68 0.05 0.00 -1.18 0.00 0.00 32.58 29.47 1bwl s HIS 43 CO 0.35 -0.03 1.12 -1.25 -0.65 0.00 0.00 174.74 174.29 1bwl s PRO 44 N -0.29 2.44 0.00 2.88 0.05 -1.26 -5.00 135.00 133.82 1bwl s PRO 44 Ca 0.01 0.26 0.00 0.00 0.05 0.00 0.00 61.00 61.33 1bwl s PRO 44 Cb -0.13 -2.00 0.00 0.00 0.05 0.00 0.00 34.50 32.42 1bwl s PRO 44 CO 0.03 -1.28 0.00 0.41 0.05 0.00 0.00 177.00 176.20 1bwl n GLY 45 N -3.13 0.62 4.01 0.56 0.00 -1.26 -4.45 105.19 101.54 1bwl n GLY 45 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1bwl n GLY 45 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bwl n ASN 46 N 0.00 -1.38 -4.78 1.61 4.13 -0.77 -4.73 115.26 109.34 1bwl n ASN 46 Ca 0.00 -1.12 -0.39 0.00 1.68 0.00 0.00 54.58 54.75 1bwl n ASN 46 Cb 0.00 -2.55 -0.06 0.00 -1.54 0.00 0.00 39.78 35.63 1bwl n ASN 46 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1bwl s ILE 47 N -3.92 4.81 0.38 2.41 -1.09 -0.44 -1.43 121.20 121.92 1bwl s ILE 47 Ca 0.15 1.28 -0.27 0.00 -2.23 0.00 0.00 60.65 59.58 1bwl s ILE 47 Cb -0.07 -3.94 -0.10 0.00 -1.58 0.00 0.00 42.46 36.77 1bwl s ILE 47 CO 0.92 0.47 1.37 -2.84 -1.23 0.00 0.00 174.94 173.63 1bwl s PRO 48 N -0.53 4.08 -0.24 2.79 0.02 -1.26 0.13 135.00 140.00 1bwl s PRO 48 Ca 0.31 2.32 -0.35 0.00 0.02 0.00 0.00 61.00 63.30 1bwl s PRO 48 Cb -0.19 -2.89 -0.12 0.00 0.02 0.00 0.00 34.50 31.32 1bwl s PRO 48 CO 0.19 -0.45 1.99 -1.71 -0.33 0.00 0.00 177.00 176.68 1bwl n ASN 49 N 0.37 2.72 0.02 2.53 2.85 -1.24 -4.65 115.26 117.86 1bwl n ASN 49 Ca 0.02 0.73 0.12 0.00 -0.11 0.00 0.00 54.58 55.34 1bwl n ASN 49 Cb 0.42 -1.29 0.49 0.00 1.24 0.00 0.00 39.78 40.64 1bwl n ASN 49 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1bwl n ARG 50 N 7.11 0.04 -0.10 1.20 1.74 -1.26 -2.21 116.66 123.19 1bwl n ARG 50 Ca 0.31 0.13 -0.12 0.00 -0.77 0.00 0.00 57.85 57.40 1bwl n ARG 50 Cb 0.24 -1.56 -0.15 0.00 -1.02 0.00 0.00 32.46 29.98 1bwl n ARG 50 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1bwl n ASP 51 N -1.64 0.68 0.00 0.55 8.00 -1.26 -4.79 116.55 118.09 1bwl n ASP 51 Ca 0.05 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1bwl n ASP 51 Cb 0.29 0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.85 1bwl n ASP 51 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1bwl n TRP 52 N -2.94 0.00 0.14 1.24 8.01 -1.24 -4.85 117.44 117.80 1bwl n TRP 52 Ca -0.35 0.00 -0.15 0.00 -1.31 0.00 0.00 57.50 55.69 1bwl n TRP 52 Cb 1.10 0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 30.33 1bwl n TRP 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1bwl h ALA 53 N 0.00 -0.75 -0.53 6.99 0.00 -1.75 -1.86 119.26 121.37 1bwl h ALA 53 Ca 0.00 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1bwl h ALA 53 Cb 0.00 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1bwl h ALA 53 CO 0.00 -0.98 0.27 0.28 0.00 0.00 0.00 179.25 178.82 1bwl h VAL 54 N -0.68 0.96 -0.00 0.00 2.07 -1.90 -2.18 116.25 114.51 1bwl h VAL 54 Ca 0.01 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1bwl h VAL 54 Cb 0.68 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1bwl h VAL 54 CO -0.20 0.10 -0.06 -0.08 0.02 0.00 0.00 177.57 177.34 1bwl h GLU 55 N 0.52 -0.10 -0.02 1.57 4.57 -1.86 0.22 114.58 119.48 1bwl h GLU 55 Ca 0.23 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.45 1bwl h GLU 55 Cb 0.14 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 1bwl h GLU 55 CO -0.16 -0.07 -0.22 -0.92 -1.18 0.00 0.00 179.01 176.46 1bwl h TYR 56 N -0.11 -0.58 -0.24 0.92 3.20 -1.09 -0.51 116.97 118.57 1bwl h TYR 56 Ca 0.03 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1bwl h TYR 56 Cb 0.14 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1bwl h TYR 56 CO -0.13 -0.31 0.02 1.88 -1.64 0.00 0.00 178.16 177.98 1bwl h TYR 57 N -0.34 0.45 -0.63 -3.82 0.05 -1.30 -2.98 116.97 108.40 1bwl h TYR 57 Ca 0.07 -0.07 0.11 0.00 0.05 0.00 0.00 58.73 58.88 1bwl h TYR 57 Cb 0.43 -0.12 -0.08 0.00 1.01 0.00 0.00 36.73 37.97 1bwl h TYR 57 CO -0.27 0.56 0.21 1.15 -1.05 0.00 0.00 178.16 178.76 1bwl h THR 58 N 0.20 0.72 -0.23 -2.88 2.02 -0.33 0.12 112.91 112.52 1bwl h THR 58 Ca 0.07 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1bwl h THR 58 Cb 0.38 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1bwl h THR 58 CO 0.01 0.07 0.12 1.56 0.37 0.00 0.00 175.52 177.65 1bwl h GLN 59 N 0.37 0.31 0.00 6.66 4.20 -1.05 -1.74 115.11 123.87 1bwl h GLN 59 Ca 0.33 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1bwl h GLN 59 Cb 0.44 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1bwl h GLN 59 CO -0.35 0.23 -0.55 0.00 -0.67 0.00 0.00 178.83 177.49 1bwl h ARG 60 N 0.31 0.00 -0.75 1.46 3.08 -0.99 -3.31 114.38 114.18 1bwl h ARG 60 Ca 0.08 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1bwl h ARG 60 Cb 0.01 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 1bwl h ARG 60 CO -0.01 0.00 0.08 0.00 -1.07 0.00 0.00 179.97 178.97 1bwl n ALA 61 N -2.13 3.73 -0.08 0.04 0.00 0.27 -4.54 120.51 117.79 1bwl n ALA 61 Ca 0.02 -1.52 -0.14 0.00 0.00 0.00 0.00 53.44 51.80 1bwl n ALA 61 Cb 0.54 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 1bwl n ALA 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1bwl h GLN 62 N 2.55 0.77 -6.34 0.00 3.07 -1.62 -3.42 115.11 110.12 1bwl h GLN 62 Ca 0.08 -0.45 -0.58 0.00 0.09 0.00 0.00 58.65 57.79 1bwl h GLN 62 Cb 1.72 0.04 -0.08 0.00 0.08 0.00 0.00 27.48 29.24 1bwl h GLN 62 CO 0.44 1.08 0.75 0.50 0.09 0.00 0.00 178.83 181.69 1bwl s ARG 63 N -4.21 3.80 0.23 0.06 6.06 -1.26 -5.00 118.95 118.62 1bwl s ARG 63 Ca -0.12 0.61 -0.30 0.00 -2.50 0.00 0.00 55.73 53.42 1bwl s ARG 63 Cb 0.09 -3.84 -0.15 0.00 0.06 0.00 0.00 34.95 31.11 1bwl s ARG 63 CO 0.86 -1.12 1.01 -2.30 -2.50 0.00 0.00 175.30 171.25 1bwl n PRO 64 N 7.20 1.09 -0.89 5.12 -0.02 -1.26 -3.14 135.00 143.09 1bwl n PRO 64 Ca 0.09 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1bwl n PRO 64 Cb 0.48 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1bwl n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bwl n GLY 65 N 1.65 0.47 3.77 -1.23 0.00 0.75 -4.35 105.19 106.24 1bwl n GLY 65 Ca 0.13 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 1bwl n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bwl s THR 66 N -2.00 4.77 -0.25 2.61 2.01 -1.19 -1.96 115.64 119.63 1bwl s THR 66 Ca 0.00 1.41 -0.15 0.00 0.31 0.00 0.00 61.69 63.27 1bwl s THR 66 Cb 0.00 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 1bwl s THR 66 CO 0.00 0.43 0.36 -0.32 -0.69 0.00 0.00 174.62 174.40 1bwl s MET 67 N -0.39 4.05 -0.17 4.92 1.75 -1.26 0.42 119.30 128.63 1bwl s MET 67 Ca 0.34 0.05 -0.04 0.00 -1.25 0.00 0.00 55.69 54.78 1bwl s MET 67 Cb -0.20 -3.62 -0.03 0.00 2.84 0.00 0.00 34.83 33.83 1bwl s MET 67 CO 0.20 -0.20 -0.03 0.42 -0.65 0.00 0.00 175.02 174.77 1bwl s ILE 68 N 1.82 3.90 -0.32 10.11 1.01 0.59 -2.68 121.20 135.63 1bwl s ILE 68 Ca 0.15 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 1bwl s ILE 68 Cb -0.15 -2.72 0.03 0.00 0.01 0.00 0.00 42.46 39.63 1bwl s ILE 68 CO 0.09 0.48 0.09 -0.63 0.00 0.00 0.00 174.94 174.97 1bwl s ILE 69 N 0.51 3.75 1.11 2.92 1.01 -0.56 -0.19 121.20 129.76 1bwl s ILE 69 Ca -0.03 -1.03 -0.14 0.00 0.00 0.00 0.00 60.65 59.45 1bwl s ILE 69 Cb -0.14 -3.07 0.20 0.00 0.01 0.00 0.00 42.46 39.46 1bwl s ILE 69 CO 0.03 -0.09 0.68 0.35 0.00 0.00 0.00 174.94 175.90 1bwl n THR 70 N 4.81 0.00 -1.56 2.92 -2.24 0.27 -3.32 114.28 115.16 1bwl n THR 70 Ca -0.13 -0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 60.98 1bwl n THR 70 Cb 0.45 -0.85 0.08 0.00 -2.10 0.00 0.00 70.33 67.91 1bwl n THR 70 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1bwl s GLU 71 N -4.07 2.37 0.44 -0.78 -1.05 -1.26 -4.01 118.70 110.34 1bwl s GLU 71 Ca 0.64 1.65 -0.25 0.00 -0.15 0.00 0.00 54.97 56.85 1bwl s GLU 71 Cb -0.21 -1.87 -0.09 0.00 -0.44 0.00 0.00 34.13 31.52 1bwl s GLU 71 CO 0.65 -1.63 1.40 0.41 0.95 0.00 0.00 175.26 177.04 1bwl n GLY 72 N 0.12 0.93 2.95 -3.83 0.00 -1.26 -4.30 105.19 99.80 1bwl n GLY 72 Ca 0.12 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 1bwl n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwl s ALA 73 N -1.19 0.93 0.22 4.61 0.00 -0.45 -4.50 121.76 121.38 1bwl s ALA 73 Ca 0.61 -0.21 -0.31 0.00 0.00 0.00 0.00 51.96 52.05 1bwl s ALA 73 Cb -0.46 -0.49 -0.10 0.00 0.00 0.00 0.00 23.12 22.07 1bwl s ALA 73 CO 0.58 0.03 1.49 -0.06 0.00 0.00 0.00 175.76 177.80 1bwl s PHE 74 N 0.82 3.01 -0.86 0.00 0.08 -0.84 -0.36 117.98 119.83 1bwl s PHE 74 Ca -0.12 0.88 0.27 0.00 0.12 0.00 0.00 56.93 58.07 1bwl s PHE 74 Cb -0.15 -3.87 1.02 0.00 -0.57 0.00 0.00 43.02 39.45 1bwl s PHE 74 CO 0.01 -2.98 1.84 0.44 -0.10 0.00 0.00 175.22 174.44 1bwl n ILE 75 N 2.88 0.32 -3.63 0.64 -5.35 -1.18 -1.92 119.36 111.13 1bwl n ILE 75 Ca 0.09 -0.12 -0.03 0.00 -0.27 0.00 0.00 62.75 62.42 1bwl n ILE 75 Cb 0.39 -0.57 -0.01 0.00 -1.74 0.00 0.00 39.64 37.71 1bwl n ILE 75 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1bwl s SER 76 N -3.74 -0.18 0.32 7.28 1.04 -1.26 -4.50 113.70 112.66 1bwl s SER 76 Ca 0.12 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.43 1bwl s SER 76 Cb 0.15 0.30 0.61 0.00 0.10 0.00 0.00 66.02 67.19 1bwl s SER 76 CO 0.55 -0.53 1.89 -0.65 0.98 0.00 0.00 173.24 175.49 1bwl h PRO 77 N 2.00 0.90 0.00 4.02 0.11 -1.97 -0.78 132.00 136.28 1bwl h PRO 77 Ca -0.22 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1bwl h PRO 77 Cb 1.21 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1bwl h PRO 77 CO 0.27 0.60 -0.13 0.94 -0.21 0.00 0.00 178.00 179.46 1bwl n GLN 78 N -4.53 0.16 0.07 1.05 -0.06 -1.26 -3.11 117.38 109.70 1bwl n GLN 78 Ca 0.15 0.11 0.12 0.00 -2.00 0.00 0.00 57.00 55.38 1bwl n GLN 78 Cb 0.29 -1.67 0.21 0.00 -4.06 0.00 0.00 30.24 25.01 1bwl n GLN 78 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1bwl n ALA 79 N -1.68 2.82 -1.95 1.69 0.00 -0.33 -4.90 120.51 116.16 1bwl n ALA 79 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1bwl n ALA 79 Cb 0.39 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1bwl n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bwl n GLY 80 N 1.33 1.80 0.00 0.00 0.00 -1.01 -1.75 105.19 105.57 1bwl n GLY 80 Ca 0.04 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1bwl n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwl n GLY 81 N 5.00 0.00 3.10 -0.02 0.00 -1.26 -4.78 105.19 107.23 1bwl n GLY 81 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1bwl n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bwl s TYR 82 N 0.00 2.76 0.44 1.61 2.02 -1.26 -3.52 117.35 119.40 1bwl s TYR 82 Ca 0.00 -1.67 0.11 0.00 -0.37 0.00 0.00 57.07 55.14 1bwl s TYR 82 Cb 0.00 -1.89 1.00 0.00 -0.40 0.00 0.00 41.96 40.67 1bwl s TYR 82 CO 0.00 -0.80 2.04 -0.44 -1.57 0.00 0.00 175.55 174.78 1bwl h ASP 83 N 7.94 0.35 -0.45 2.29 3.32 -1.99 -3.12 116.42 124.75 1bwl h ASP 83 Ca -0.42 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.57 1bwl h ASP 83 Cb 1.13 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 1bwl h ASP 83 CO 0.61 0.24 0.05 0.59 -1.72 0.00 0.00 179.24 179.01 1bwl n ASN 84 N -4.48 4.53 -4.84 6.45 3.02 -1.26 -4.18 115.26 114.50 1bwl n ASN 84 Ca 0.05 -3.09 -0.35 0.00 -0.03 0.00 0.00 54.58 51.16 1bwl n ASN 84 Cb 0.19 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.67 1bwl n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bwl s ALA 85 N -2.88 3.76 0.63 5.41 0.00 -1.18 -1.00 121.76 126.50 1bwl s ALA 85 Ca 0.49 -0.75 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 1bwl s ALA 85 Cb 0.39 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 1bwl s ALA 85 CO 0.11 0.67 1.04 -1.25 0.00 0.00 0.00 175.76 176.33 1bwl s PRO 86 N -1.42 3.36 0.47 0.00 0.04 -1.26 -4.68 135.00 131.51 1bwl s PRO 86 Ca 0.20 0.91 0.06 0.00 0.04 0.00 0.00 61.00 62.20 1bwl s PRO 86 Cb -0.12 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1bwl s PRO 86 CO 0.10 -0.76 0.24 0.20 0.04 0.00 0.00 177.00 176.81 1bwl s GLY 87 N -3.73 2.46 0.00 0.56 0.00 -0.52 -1.99 107.32 104.10 1bwl s GLY 87 Ca 0.58 -1.51 0.14 0.00 0.00 0.00 0.00 44.72 43.93 1bwl s GLY 87 CO 0.50 -1.96 1.06 1.55 0.00 0.00 0.00 173.10 174.24 1bwl n VAL 88 N -1.44 0.00 0.31 1.40 3.14 -0.81 -4.80 118.33 116.13 1bwl n VAL 88 Ca -0.04 -0.54 0.07 0.00 -2.96 0.00 0.00 64.34 60.87 1bwl n VAL 88 Cb 0.65 0.73 -0.10 0.00 -1.06 0.00 0.00 33.84 34.06 1bwl n VAL 88 CO 0.00 0.00 0.00 -2.67 -6.46 0.00 0.00 176.83 167.70 1bwl n TRP 89 N 0.27 0.00 -4.44 1.45 2.14 -1.26 -4.65 117.44 110.95 1bwl n TRP 89 Ca -0.03 0.00 -0.25 0.00 2.07 0.00 0.00 57.50 59.29 1bwl n TRP 89 Cb 0.93 -0.19 -0.09 0.00 -0.81 0.00 0.00 31.31 31.14 1bwl n TRP 89 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 1bwl s SER 90 N -3.13 3.91 0.08 -0.67 1.04 -1.26 -5.03 113.70 108.64 1bwl s SER 90 Ca -0.01 -1.06 -0.25 0.00 0.48 0.00 0.00 55.95 55.12 1bwl s SER 90 Cb 0.10 -0.44 -0.16 0.00 0.10 0.00 0.00 66.02 65.63 1bwl s SER 90 CO 0.62 -0.15 1.69 -0.33 0.98 0.00 0.00 173.24 176.04 1bwl h GLU 91 N 1.99 -0.12 -0.68 4.02 5.08 -1.97 0.35 114.58 123.24 1bwl h GLU 91 Ca -0.42 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.11 1bwl h GLU 91 Cb 1.25 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 1bwl h GLU 91 CO 0.66 -0.05 0.47 1.49 -1.00 0.00 0.00 179.01 180.59 1bwl h GLU 92 N -0.16 0.19 0.03 2.33 4.81 -1.98 0.37 114.58 120.18 1bwl h GLU 92 Ca -0.01 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1bwl h GLU 92 Cb 0.13 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.47 1bwl h GLU 92 CO 0.02 0.13 -0.22 1.96 -0.73 0.00 0.00 179.01 180.17 1bwl h GLN 93 N 0.20 0.09 -0.26 1.92 4.20 -1.67 -3.34 115.11 116.25 1bwl h GLN 93 Ca 0.33 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1bwl h GLN 93 Cb 1.02 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 1bwl h GLN 93 CO -0.06 1.03 0.04 0.52 -0.67 0.00 0.00 178.83 179.68 1bwl h MET 94 N -0.77 0.37 -0.65 1.46 2.86 0.93 -2.03 114.93 117.10 1bwl h MET 94 Ca -0.04 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1bwl h MET 94 Cb 1.13 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 1bwl h MET 94 CO 0.04 0.37 0.37 0.28 1.06 0.00 0.00 176.91 179.03 1bwl h VAL 95 N 0.37 1.20 0.00 -2.22 2.07 -0.45 -0.75 116.25 116.46 1bwl h VAL 95 Ca 0.09 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1bwl h VAL 95 Cb 0.19 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1bwl h VAL 95 CO 0.00 0.21 -0.40 -0.33 0.02 0.00 0.00 177.57 177.07 1bwl h GLU 96 N 0.88 0.00 -0.00 1.57 4.39 -1.61 -3.08 114.58 116.72 1bwl h GLU 96 Ca 0.23 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.76 1bwl h GLU 96 Cb 0.01 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1bwl h GLU 96 CO -0.04 0.40 -0.80 -1.49 -1.16 0.00 0.00 179.01 175.91 1bwl h TRP 97 N 0.00 0.07 -0.41 4.33 4.06 -0.66 -3.02 115.95 120.32 1bwl h TRP 97 Ca -0.00 -0.04 -0.15 0.00 2.06 0.00 0.00 58.89 60.76 1bwl h TRP 97 Cb 1.07 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 1bwl h TRP 97 CO 0.00 0.83 -0.33 1.15 -3.56 0.00 0.00 178.44 176.52 1bwl h THR 98 N 0.03 1.27 -0.15 1.49 2.02 -1.08 -0.22 112.91 116.27 1bwl h THR 98 Ca -0.02 -1.51 0.03 0.00 0.77 0.00 0.00 66.41 65.69 1bwl h THR 98 Cb 1.41 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 1bwl h THR 98 CO 0.11 0.51 -0.05 0.11 0.37 0.00 0.00 175.52 176.56 1bwl h LYS 99 N 0.78 -0.03 0.22 6.66 1.57 -1.55 -0.97 116.57 123.26 1bwl h LYS 99 Ca 0.07 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1bwl h LYS 99 Cb 0.93 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 1bwl h LYS 99 CO 0.09 -0.02 -0.34 0.82 -0.57 0.00 0.00 179.45 179.43 1bwl h ILE 100 N -0.03 0.29 -0.99 1.86 2.04 -1.39 -2.23 117.51 117.07 1bwl h ILE 100 Ca 0.08 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.09 1bwl h ILE 100 Cb 0.14 0.29 -0.10 0.00 -0.74 0.00 0.00 36.82 36.42 1bwl h ILE 100 CO -0.17 0.00 0.60 -0.26 0.00 0.00 0.00 178.15 178.32 1bwl h PHE 101 N -0.63 1.08 -0.34 1.37 0.04 -0.77 -1.97 116.94 115.72 1bwl h PHE 101 Ca 0.01 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 1bwl h PHE 101 Cb 0.61 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 1bwl h PHE 101 CO -0.25 0.33 0.11 -0.91 -0.60 0.00 0.00 178.31 176.98 1bwl h ASN 102 N 0.85 0.49 -0.81 2.17 -0.26 -0.69 -2.07 115.58 115.27 1bwl h ASN 102 Ca 0.53 -0.20 -0.04 0.00 -0.56 0.00 0.00 56.30 56.03 1bwl h ASN 102 Cb 0.69 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.79 1bwl h ASN 102 CO -0.33 0.56 0.34 0.00 -1.06 0.00 0.00 177.43 176.93 1bwl h ALA 103 N 0.95 1.07 -0.45 -0.83 0.00 -0.79 0.22 119.26 119.44 1bwl h ALA 103 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1bwl h ALA 103 Cb 0.24 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1bwl h ALA 103 CO -0.00 0.67 0.12 0.82 0.00 0.00 0.00 179.25 180.85 1bwl h ILE 104 N 1.17 1.23 -0.51 0.00 2.04 -1.40 -2.53 117.51 117.51 1bwl h ILE 104 Ca 0.27 -0.79 -0.08 0.00 1.00 0.00 0.00 64.86 65.26 1bwl h ILE 104 Cb 0.20 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1bwl h ILE 104 CO -0.02 0.28 -0.02 0.45 0.00 0.00 0.00 178.15 178.83 1bwl h HIS 105 N 0.59 0.94 0.00 1.37 3.86 -0.83 -2.11 115.15 118.96 1bwl h HIS 105 Ca 0.14 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1bwl h HIS 105 Cb 0.30 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1bwl h HIS 105 CO 0.02 0.87 -0.01 1.05 0.86 0.00 0.00 177.93 180.72 1bwl h GLU 106 N 0.80 0.00 -0.62 2.45 4.11 -0.27 0.36 114.58 121.41 1bwl h GLU 106 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 1bwl h GLU 106 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1bwl h GLU 106 CO 0.03 0.01 0.00 1.63 0.07 0.00 0.00 179.01 180.74 1bwl n LYS 107 N -4.00 3.07 -3.72 1.06 4.76 -0.84 -4.95 118.16 113.53 1bwl n LYS 107 Ca -0.03 -2.28 -0.26 0.00 -2.87 0.00 0.00 58.31 52.87 1bwl n LYS 107 Cb 0.09 -1.72 0.06 0.00 -1.84 0.00 0.00 35.03 31.62 1bwl n LYS 107 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1bwl n LYS 108 N 0.94 -6.82 -4.56 1.97 5.02 0.13 -4.35 118.16 110.48 1bwl n LYS 108 Ca 0.21 0.73 -0.26 0.00 -2.02 0.00 0.00 58.31 56.97 1bwl n LYS 108 Cb 0.70 -5.70 -0.10 0.00 -0.02 0.00 0.00 35.03 29.91 1bwl n LYS 108 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1bwl s SER 109 N -3.41 3.23 0.29 4.39 0.01 -0.91 -0.18 113.70 117.11 1bwl s SER 109 Ca 0.56 -1.42 0.09 0.00 1.31 0.00 0.00 55.95 56.49 1bwl s SER 109 Cb -0.26 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.80 1bwl s SER 109 CO 0.77 -0.59 0.02 -0.36 0.41 0.00 0.00 173.24 173.50 1bwl s PHE 110 N -3.00 2.66 -0.08 2.43 0.08 0.17 -4.02 117.98 116.23 1bwl s PHE 110 Ca 0.32 -0.28 -0.03 0.00 0.12 0.00 0.00 56.93 57.06 1bwl s PHE 110 Cb 0.08 -1.31 0.04 0.00 -0.57 0.00 0.00 43.02 41.27 1bwl s PHE 110 CO 0.15 0.55 0.14 0.54 -0.10 0.00 0.00 175.22 176.51 1bwl s VAL 111 N -2.38 -0.21 -0.12 -0.44 0.11 -1.26 -0.30 120.40 115.81 1bwl s VAL 111 Ca 0.33 0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 1bwl s VAL 111 Cb -0.05 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 1bwl s VAL 111 CO 0.20 0.14 -0.12 0.26 -3.33 0.00 0.00 175.10 172.26 1bwl s TRP 112 N 2.13 2.82 -0.19 1.54 0.52 0.74 -1.08 118.94 125.42 1bwl s TRP 112 Ca 0.02 -0.51 -0.16 0.00 0.02 0.00 0.00 56.10 55.47 1bwl s TRP 112 Cb -0.12 -1.82 -0.04 0.00 -1.15 0.00 0.00 33.47 30.34 1bwl s TRP 112 CO -0.05 -0.11 0.38 0.08 0.02 0.00 0.00 176.95 177.26 1bwl s VAL 113 N 0.14 5.22 -0.13 4.03 1.01 -0.58 -0.57 120.40 129.52 1bwl s VAL 113 Ca -0.06 0.68 -0.28 0.00 0.00 0.00 0.00 61.98 62.32 1bwl s VAL 113 Cb -0.15 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1bwl s VAL 113 CO 0.05 0.28 0.95 -1.58 0.00 0.00 0.00 175.10 174.80 1bwl s GLN 114 N 1.10 4.38 -0.14 2.72 0.74 -1.26 -0.47 119.66 126.73 1bwl s GLN 114 Ca 0.19 1.27 -0.23 0.00 0.05 0.00 0.00 55.36 56.63 1bwl s GLN 114 Cb -0.14 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.38 1bwl s GLN 114 CO 0.07 -0.33 0.72 -0.51 -0.55 0.00 0.00 175.29 174.70 1bwl s LEU 115 N 2.10 4.22 -0.03 3.68 1.43 0.72 -1.35 118.68 129.45 1bwl s LEU 115 Ca 0.45 1.09 0.05 0.00 -1.03 0.00 0.00 54.13 54.69 1bwl s LEU 115 Cb -0.18 -3.08 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 1bwl s LEU 115 CO 0.15 -0.25 -0.18 0.86 0.23 0.00 0.00 176.35 177.17 1bwl s TRP 116 N 1.54 2.60 -0.13 0.29 -0.00 0.52 -2.61 118.94 121.15 1bwl s TRP 116 Ca 0.35 -0.24 -0.04 0.00 -0.00 0.00 0.00 56.10 56.18 1bwl s TRP 116 Cb -0.17 -1.58 0.06 0.00 -0.00 0.00 0.00 33.47 31.79 1bwl s TRP 116 CO 0.14 0.14 0.18 0.08 -0.00 0.00 0.00 176.95 177.49 1bwl s VAL 117 N -0.72 -0.28 0.15 5.86 1.01 -1.26 -3.11 120.40 122.05 1bwl s VAL 117 Ca 0.11 0.15 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 1bwl s VAL 117 Cb -0.10 -0.45 -0.13 0.00 0.00 0.00 0.00 36.38 35.69 1bwl s VAL 117 CO 0.01 -0.01 1.38 -0.07 0.00 0.00 0.00 175.10 176.41 1bwl h LEU 118 N 8.35 0.61 0.00 3.92 3.38 -1.64 -2.25 115.31 127.68 1bwl h LEU 118 Ca -0.15 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1bwl h LEU 118 Cb 1.13 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1bwl h LEU 118 CO 0.20 1.18 0.00 0.61 0.09 0.00 0.00 178.44 180.52 1bwl n GLY 119 N 0.67 3.23 0.00 0.83 0.00 -1.26 -2.01 105.19 106.65 1bwl n GLY 119 Ca -0.06 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1bwl n GLY 119 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1bwl n TRP 120 N 13.78 0.00 1.07 1.61 2.14 -1.12 -3.00 117.44 131.92 1bwl n TRP 120 Ca 0.00 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.70 1bwl n TRP 120 Cb 0.00 -0.10 0.34 0.00 -0.81 0.00 0.00 31.31 30.74 1bwl n TRP 120 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1bwl n ALA 121 N -1.10 3.28 -1.92 -1.67 0.00 -0.85 -4.83 120.51 113.41 1bwl n ALA 121 Ca 0.15 -0.32 -0.32 0.00 0.00 0.00 0.00 53.44 52.95 1bwl n ALA 121 Cb 0.12 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 1bwl n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bwl s ALA 122 N -2.88 3.13 -0.16 0.00 0.00 -1.16 -5.01 121.76 115.67 1bwl s ALA 122 Ca 0.15 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 1bwl s ALA 122 Cb 0.18 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 1bwl s ALA 122 CO 0.63 -0.13 1.12 -0.06 0.00 0.00 0.00 175.76 177.33 1bwl s PHE 123 N -2.50 3.20 0.45 0.00 0.08 -1.23 -4.92 117.98 113.06 1bwl s PHE 123 Ca 0.58 1.32 0.16 0.00 0.12 0.00 0.00 56.93 59.10 1bwl s PHE 123 Cb -0.10 -3.35 1.07 0.00 -0.57 0.00 0.00 43.02 40.08 1bwl s PHE 123 CO 0.29 -0.92 2.02 -1.35 -0.10 0.00 0.00 175.22 175.15 1bwl h PRO 124 N 7.61 0.00 0.02 0.24 0.11 -1.91 -2.90 132.00 135.17 1bwl h PRO 124 Ca -0.25 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 1bwl h PRO 124 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1bwl h PRO 124 CO 0.94 0.16 -0.01 0.38 -0.21 0.00 0.00 178.00 179.26 1bwl h ASP 125 N 0.00 -0.02 -0.30 -2.05 2.03 -1.92 0.17 116.42 114.34 1bwl h ASP 125 Ca -0.00 -0.19 0.04 0.00 -0.73 0.00 0.00 57.03 56.14 1bwl h ASP 125 Cb 0.29 0.01 -0.04 0.00 -0.83 0.00 0.00 39.33 38.76 1bwl h ASP 125 CO 0.02 0.18 0.07 0.78 -1.03 0.00 0.00 179.24 179.26 1bwl h ASN 126 N -0.23 0.04 -0.53 4.15 2.35 -1.83 0.39 115.58 119.92 1bwl h ASN 126 Ca -0.00 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1bwl h ASN 126 Cb 0.22 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1bwl h ASN 126 CO 0.00 0.06 0.23 -0.07 -1.65 0.00 0.00 177.43 176.00 1bwl h LEU 127 N 0.19 0.72 -1.44 1.61 3.38 -1.49 -2.12 115.31 116.16 1bwl h LEU 127 Ca 0.14 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1bwl h LEU 127 Cb 0.13 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1bwl h LEU 127 CO -0.17 0.67 -0.25 0.00 0.09 0.00 0.00 178.44 178.79 1bwl h ALA 128 N 1.07 1.54 0.99 1.53 0.00 -0.19 0.95 119.26 125.16 1bwl h ALA 128 Ca 0.18 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1bwl h ALA 128 Cb 0.17 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1bwl h ALA 128 CO -0.02 0.34 -0.48 -0.09 0.00 0.00 0.00 179.25 179.01 1bwl h ARG 129 N 0.04 -1.28 -0.37 0.00 2.43 0.39 -2.58 114.38 113.01 1bwl h ARG 129 Ca 0.01 0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1bwl h ARG 129 Cb 0.46 0.29 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1bwl h ARG 129 CO 0.03 -0.85 0.00 -0.25 -1.51 0.00 0.00 179.97 177.39 1bwl n ASP 130 N -5.66 0.37 -1.86 -3.80 8.00 -0.93 -4.83 116.55 107.84 1bwl n ASP 130 Ca -0.17 -1.57 -0.15 0.00 0.71 0.00 0.00 54.79 53.62 1bwl n ASP 130 Cb 0.53 -0.18 0.01 0.00 -0.02 0.00 0.00 41.12 41.45 1bwl n ASP 130 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bwl n GLY 131 N 0.20 -0.20 3.92 0.44 0.00 -0.67 -5.03 105.19 103.85 1bwl n GLY 131 Ca 0.00 -0.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 1bwl n GLY 131 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bwl s LEU 132 N -4.43 3.80 0.73 0.99 1.43 0.32 -4.97 118.68 116.55 1bwl s LEU 132 Ca 0.08 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1bwl s LEU 132 Cb -0.04 -2.50 0.08 0.00 0.03 0.00 0.00 46.19 43.76 1bwl s LEU 132 CO 0.10 -0.39 1.04 -0.13 0.23 0.00 0.00 176.35 177.20 1bwl s ARG 133 N -4.09 2.03 -0.73 1.70 0.52 -1.26 -3.97 118.95 113.15 1bwl s ARG 133 Ca 0.43 -0.34 0.03 0.00 -0.52 0.00 0.00 55.73 55.33 1bwl s ARG 133 Cb -0.08 -2.16 0.18 0.00 0.52 0.00 0.00 34.95 33.41 1bwl s ARG 133 CO 0.29 -1.35 0.54 -0.47 0.02 0.00 0.00 175.30 174.33 1bwl s TYR 134 N -3.29 3.61 0.74 -0.53 5.04 -1.26 -4.86 117.35 116.80 1bwl s TYR 134 Ca 0.62 -3.22 -0.11 0.00 -2.44 0.00 0.00 57.07 51.92 1bwl s TYR 134 Cb -0.10 -2.88 0.03 0.00 0.35 0.00 0.00 41.96 39.36 1bwl s TYR 134 CO 0.45 -0.63 1.08 -0.51 -1.34 0.00 0.00 175.55 174.60 1bwl s ASP 135 N -0.91 5.05 0.00 4.32 1.01 -1.26 -0.98 116.67 123.89 1bwl s ASP 135 Ca 0.24 1.47 0.00 0.00 0.71 0.00 0.00 52.55 54.97 1bwl s ASP 135 Cb -0.08 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.56 1bwl s ASP 135 CO -0.13 -1.64 0.00 -0.24 0.21 0.00 0.00 175.17 173.37 1bwl n SER 136 N -3.24 0.00 0.24 0.27 2.88 -1.06 -2.79 113.62 109.92 1bwl n SER 136 Ca 0.07 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.46 1bwl n SER 136 Cb 0.55 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.93 1bwl n SER 136 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwl h ALA 137 N 0.00 -0.63 -0.87 -1.46 0.00 -1.85 -2.97 119.26 111.48 1bwl h ALA 137 Ca 0.00 -0.12 -0.59 0.00 0.00 0.00 0.00 54.91 54.20 1bwl h ALA 137 Cb 0.00 0.33 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1bwl h ALA 137 CO 0.00 -0.87 -0.39 -1.12 0.00 0.00 0.00 179.25 176.87 1bwl s SER 138 N -4.65 4.52 0.00 0.00 0.01 -1.25 -4.19 113.70 108.14 1bwl s SER 138 Ca -0.16 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 55.86 1bwl s SER 138 Cb 0.05 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1bwl s SER 138 CO 0.64 -0.88 0.50 -0.90 0.41 0.00 0.00 173.24 173.00 1bwl n ASP 139 N -1.53 0.60 -0.37 2.44 5.75 -1.26 -4.46 116.55 117.72 1bwl n ASP 139 Ca -0.04 -1.23 0.03 0.00 -0.01 0.00 0.00 54.79 53.54 1bwl n ASP 139 Cb 0.65 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.82 1bwl n ASP 139 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1bwl n ASN 140 N -0.12 2.34 -3.93 -1.12 6.94 -1.26 -4.89 115.26 113.22 1bwl n ASN 140 Ca 0.00 -1.83 -0.19 0.00 -0.02 0.00 0.00 54.58 52.54 1bwl n ASN 140 Cb 0.32 -0.11 -0.16 0.00 -2.36 0.00 0.00 39.78 37.47 1bwl n ASN 140 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1bwl s VAL 141 N -0.90 0.59 0.38 3.53 1.01 -1.26 -5.16 120.40 118.58 1bwl s VAL 141 Ca 0.13 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.99 1bwl s VAL 141 Cb 0.07 -0.57 -0.07 0.00 0.00 0.00 0.00 36.38 35.81 1bwl s VAL 141 CO 0.10 0.22 0.00 -0.36 0.00 0.00 0.00 175.10 175.05 1bwl s PHE 142 N 0.58 2.50 -0.01 5.22 0.08 -1.26 -4.91 117.98 120.19 1bwl s PHE 142 Ca -0.08 -0.57 -0.18 0.00 0.12 0.00 0.00 56.93 56.22 1bwl s PHE 142 Cb -0.11 -1.64 -0.10 0.00 -0.57 0.00 0.00 43.02 40.60 1bwl s PHE 142 CO 0.00 0.46 0.84 1.98 -0.10 0.00 0.00 175.22 178.40 1bwl h MET 143 N 1.80 -0.62 0.00 0.44 4.05 -1.91 -3.49 114.93 115.20 1bwl h MET 143 Ca -0.43 0.04 -0.12 0.00 -0.28 0.00 0.00 59.70 58.92 1bwl h MET 143 Cb 1.25 0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 32.17 1bwl h MET 143 CO 0.74 -0.41 0.06 -0.40 0.23 0.00 0.00 176.91 177.13 1bwl n ASP 144 N -4.70 -1.47 0.15 1.39 5.68 -1.26 -4.78 116.55 111.57 1bwl n ASP 144 Ca -0.08 -2.37 -0.12 0.00 -0.50 0.00 0.00 54.79 51.72 1bwl n ASP 144 Cb 0.25 2.55 -0.07 0.00 -1.14 0.00 0.00 41.12 42.71 1bwl n ASP 144 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bwl h ALA 145 N 1.96 -0.96 -0.26 2.12 0.00 -2.00 -2.04 119.26 118.09 1bwl h ALA 145 Ca -0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1bwl h ALA 145 Cb 0.96 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1bwl h ALA 145 CO 0.31 -1.00 0.12 1.05 0.00 0.00 0.00 179.25 179.73 1bwl h GLU 146 N -0.61 0.36 -0.06 0.00 4.11 -1.99 -1.45 114.58 114.94 1bwl h GLU 146 Ca -0.03 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.32 1bwl h GLU 146 Cb 0.56 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1bwl h GLU 146 CO -0.10 0.29 -0.19 1.96 0.07 0.00 0.00 179.01 181.04 1bwl h GLN 147 N 0.36 0.09 0.00 1.06 1.08 -1.91 0.54 115.11 116.33 1bwl h GLN 147 Ca 0.09 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.14 1bwl h GLN 147 Cb 0.06 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1bwl h GLN 147 CO -0.01 0.29 -1.05 1.05 -0.95 0.00 0.00 178.83 178.16 1bwl h GLU 148 N 0.09 0.00 0.12 1.46 4.11 -0.59 -2.54 114.58 117.23 1bwl h GLU 148 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 1bwl h GLU 148 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1bwl h GLU 148 CO 0.03 0.35 -0.06 0.00 0.07 0.00 0.00 179.01 179.40 1bwl h ALA 149 N 1.49 -0.16 -0.09 1.06 0.00 -0.61 -2.12 119.26 118.82 1bwl h ALA 149 Ca -0.09 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1bwl h ALA 149 Cb 1.47 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1bwl h ALA 149 CO 0.05 -0.43 -0.05 0.87 0.00 0.00 0.00 179.25 179.69 1bwl h LYS 150 N -0.47 -0.04 -0.60 0.00 1.57 -1.02 -0.82 116.57 115.19 1bwl h LYS 150 Ca -0.02 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.86 1bwl h LYS 150 Cb 0.38 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 1bwl h LYS 150 CO 0.03 -0.03 0.20 0.00 -0.57 0.00 0.00 179.45 179.08 1bwl h ALA 151 N 1.05 0.76 0.03 3.86 0.00 -1.43 -1.84 119.26 121.69 1bwl h ALA 151 Ca 0.05 0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.83 1bwl h ALA 151 Cb 0.12 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1bwl h ALA 151 CO -0.12 -0.22 -1.00 -0.22 0.00 0.00 0.00 179.25 177.69 1bwl h LYS 152 N 0.37 0.34 -0.41 0.00 1.63 -1.07 0.11 116.57 117.53 1bwl h LYS 152 Ca 0.31 -0.41 0.04 0.00 -0.85 0.00 0.00 60.65 59.74 1bwl h LYS 152 Cb 0.40 0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 32.11 1bwl h LYS 152 CO -0.33 1.10 0.19 -0.22 -3.45 0.00 0.00 179.45 176.75 1bwl h LYS 153 N 0.17 0.37 -0.07 1.90 1.63 -0.93 -0.26 116.57 119.39 1bwl h LYS 153 Ca -0.09 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1bwl h LYS 153 Cb 1.65 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 33.20 1bwl h LYS 153 CO 0.17 0.25 0.00 0.00 -3.45 0.00 0.00 179.45 176.41 1bwl n ALA 154 N -2.32 2.57 -3.97 5.00 0.00 -0.71 -4.93 120.51 116.14 1bwl n ALA 154 Ca 0.02 -0.29 -0.40 0.00 0.00 0.00 0.00 53.44 52.77 1bwl n ALA 154 Cb 0.12 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 18.39 1bwl n ALA 154 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1bwl n ASN 155 N -0.30 -3.86 -3.23 0.00 5.15 -0.11 -4.93 115.26 107.98 1bwl n ASN 155 Ca 0.14 -1.20 -0.25 0.00 -0.60 0.00 0.00 54.58 52.68 1bwl n ASN 155 Cb 0.18 -2.26 -0.07 0.00 -0.53 0.00 0.00 39.78 37.09 1bwl n ASN 155 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1bwl n ASN 156 N -2.42 0.22 -4.61 1.20 4.05 0.29 -5.02 115.26 108.97 1bwl n ASN 156 Ca -0.13 -2.67 -0.37 0.00 0.45 0.00 0.00 54.58 51.86 1bwl n ASN 156 Cb 0.59 -0.63 0.07 0.00 1.23 0.00 0.00 39.78 41.04 1bwl n ASN 156 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1bwl n PRO 157 N 1.59 0.69 -1.96 1.20 -0.04 -1.26 -4.67 135.00 130.54 1bwl n PRO 157 Ca 0.23 0.28 -0.42 0.00 -0.04 0.00 0.00 63.50 63.55 1bwl n PRO 157 Cb 0.52 -2.19 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 1bwl n PRO 157 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1bwl s GLN 158 N -3.06 4.22 -0.18 0.54 0.74 -1.26 -4.35 119.66 116.32 1bwl s GLN 158 Ca 0.75 2.32 -0.02 0.00 0.05 0.00 0.00 55.36 58.46 1bwl s GLN 158 Cb -0.38 -3.26 -0.01 0.00 1.10 0.00 0.00 33.01 30.46 1bwl s GLN 158 CO 0.48 -0.61 -0.09 -1.58 -0.55 0.00 0.00 175.29 172.94 1bwl s HIS 159 N 1.46 2.89 -0.33 1.67 5.65 -0.16 -4.73 115.29 121.74 1bwl s HIS 159 Ca 0.70 -0.83 -0.28 0.00 0.25 0.00 0.00 55.06 54.89 1bwl s HIS 159 Cb -0.42 -1.97 0.02 0.00 -1.18 0.00 0.00 32.58 29.02 1bwl s HIS 159 CO 0.31 -0.40 1.05 -1.12 -0.65 0.00 0.00 174.74 173.93 1bwl s SER 160 N 0.93 6.89 0.33 9.88 0.01 -1.26 -2.57 113.70 127.90 1bwl s SER 160 Ca -0.02 0.98 -0.28 0.00 1.31 0.00 0.00 55.95 57.94 1bwl s SER 160 Cb -0.15 -2.53 -0.13 0.00 0.21 0.00 0.00 66.02 63.43 1bwl s SER 160 CO -0.00 -0.88 1.20 0.18 0.41 0.00 0.00 173.24 174.16 1bwl n LEU 161 N 6.86 3.06 -4.96 2.44 4.77 -1.12 -5.01 117.00 123.04 1bwl n LEU 161 Ca 0.11 1.19 -0.24 0.00 -0.03 0.00 0.00 56.01 57.05 1bwl n LEU 161 Cb 0.47 -1.43 0.07 0.00 -2.33 0.00 0.00 43.42 40.20 1bwl n LEU 161 CO 0.59 -0.77 0.52 0.42 -1.33 0.00 0.00 177.39 176.83 1bwl s THR 162 N -1.09 2.39 0.28 -5.08 -4.23 -1.26 -4.91 115.64 101.73 1bwl s THR 162 Ca 0.57 -0.45 0.33 0.00 -1.18 0.00 0.00 61.69 60.95 1bwl s THR 162 Cb -0.60 -2.94 0.36 0.00 1.34 0.00 0.00 72.50 70.66 1bwl s THR 162 CO 0.61 0.00 2.05 0.11 -0.54 0.00 0.00 174.62 176.85 1bwl h LYS 163 N -0.38 0.00 0.02 3.99 1.57 -1.99 -1.83 116.57 117.95 1bwl h LYS 163 Ca -0.42 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.13 1bwl h LYS 163 Cb 1.30 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.58 1bwl h LYS 163 CO 0.53 0.06 -1.09 -0.44 -0.57 0.00 0.00 179.45 177.94 1bwl h ASP 164 N 0.00 0.05 1.23 0.86 3.32 -1.99 -2.63 116.42 117.26 1bwl h ASP 164 Ca -0.00 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 56.86 1bwl h ASP 164 Cb 0.42 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1bwl h ASP 164 CO 0.01 1.05 -0.63 -0.33 -1.72 0.00 0.00 179.24 177.62 1bwl h GLU 165 N 0.01 0.00 -0.36 3.56 5.08 -1.86 -2.10 114.58 118.91 1bwl h GLU 165 Ca -0.05 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 1bwl h GLU 165 Cb 1.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.06 1bwl h GLU 165 CO 0.13 0.63 -0.42 0.82 -1.00 0.00 0.00 179.01 179.17 1bwl h ILE 166 N 0.00 1.27 -0.53 3.13 2.04 -1.30 -2.19 117.51 119.94 1bwl h ILE 166 Ca -0.01 -1.59 -0.08 0.00 1.00 0.00 0.00 64.86 64.18 1bwl h ILE 166 Cb 1.41 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 1bwl h ILE 166 CO 0.08 0.53 0.02 0.11 0.00 0.00 0.00 178.15 178.89 1bwl h LYS 167 N 0.72 0.88 -0.43 2.37 1.57 -1.38 -2.70 116.57 117.61 1bwl h LYS 167 Ca 0.05 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.53 1bwl h LYS 167 Cb 1.00 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1bwl h LYS 167 CO 0.10 0.87 0.03 0.37 -0.57 0.00 0.00 179.45 180.25 1bwl h GLN 168 N 0.82 0.68 0.00 3.15 5.75 -1.14 -1.40 115.11 122.97 1bwl h GLN 168 Ca 0.16 -0.15 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 1bwl h GLN 168 Cb 0.46 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 1bwl h GLN 168 CO 0.02 0.67 -0.40 1.88 -2.65 0.00 0.00 178.83 178.35 1bwl h TYR 169 N 0.64 0.00 -0.00 3.99 0.05 -1.09 -1.23 116.97 119.33 1bwl h TYR 169 Ca 0.14 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.75 1bwl h TYR 169 Cb 0.35 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 1bwl h TYR 169 CO 0.02 0.40 -0.76 0.82 -1.05 0.00 0.00 178.16 177.58 1bwl h ILE 170 N 0.00 1.52 0.06 -2.88 2.04 -1.03 -1.41 117.51 115.81 1bwl h ILE 170 Ca -0.00 -2.55 -0.00 0.00 1.00 0.00 0.00 64.86 63.31 1bwl h ILE 170 Cb 0.80 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 1bwl h ILE 170 CO 0.05 0.73 -0.03 0.11 0.00 0.00 0.00 178.15 179.01 1bwl h LYS 171 N 0.03 -0.08 -0.28 2.37 6.56 -0.77 -2.68 116.57 121.72 1bwl h LYS 171 Ca -0.01 0.01 0.07 0.00 -1.06 0.00 0.00 60.65 59.65 1bwl h LYS 171 Cb 1.34 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 33.01 1bwl h LYS 171 CO 0.10 0.31 0.20 0.93 -2.06 0.00 0.00 179.45 178.93 1bwl h GLU 172 N -0.49 0.07 0.11 3.15 5.08 -1.15 -2.15 114.58 119.20 1bwl h GLU 172 Ca -0.01 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1bwl h GLU 172 Cb 0.43 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1bwl h GLU 172 CO 0.01 0.05 -0.05 1.88 -1.00 0.00 0.00 179.01 179.90 1bwl h TYR 173 N 0.08 -0.14 -0.29 4.33 0.05 -1.05 -2.21 116.97 117.73 1bwl h TYR 173 Ca 0.13 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.97 1bwl h TYR 173 Cb 0.42 0.05 -0.06 0.00 1.01 0.00 0.00 36.73 38.15 1bwl h TYR 173 CO -0.00 0.22 -0.09 0.28 -1.05 0.00 0.00 178.16 177.53 1bwl h VAL 174 N -0.53 0.68 -0.35 -2.88 2.07 -1.07 -0.42 116.25 113.74 1bwl h VAL 174 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1bwl h VAL 174 Cb 0.43 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1bwl h VAL 174 CO 0.03 0.00 0.20 -0.61 0.02 0.00 0.00 177.57 177.21 1bwl h GLN 175 N -0.02 0.48 -0.78 1.57 5.75 -1.47 0.91 115.11 121.54 1bwl h GLN 175 Ca 0.14 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 1bwl h GLN 175 Cb 0.24 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.66 1bwl h GLN 175 CO -0.31 0.37 0.38 0.00 -2.65 0.00 0.00 178.83 176.62 1bwl h ALA 176 N 1.07 1.19 -0.54 3.38 0.00 -1.07 -0.65 119.26 122.64 1bwl h ALA 176 Ca 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1bwl h ALA 176 Cb 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1bwl h ALA 176 CO -0.02 0.62 0.17 0.00 0.00 0.00 0.00 179.25 180.02 1bwl h ALA 177 N 1.30 0.71 -0.41 0.00 0.00 -0.49 -1.42 119.26 118.96 1bwl h ALA 177 Ca 0.27 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1bwl h ALA 177 Cb 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1bwl h ALA 177 CO -0.04 0.37 0.10 0.87 0.00 0.00 0.00 179.25 180.56 1bwl h LYS 178 N 0.76 0.65 0.00 0.00 1.57 -0.23 -1.70 116.57 117.62 1bwl h LYS 178 Ca 0.18 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1bwl h LYS 178 Cb 0.28 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1bwl h LYS 178 CO -0.01 0.67 -0.23 -0.91 -0.57 0.00 0.00 179.45 178.41 1bwl h ASN 179 N 0.52 0.00 -0.01 0.86 -0.26 -1.05 0.86 115.58 116.51 1bwl h ASN 179 Ca 0.13 0.00 -0.26 0.00 -0.56 0.00 0.00 56.30 55.61 1bwl h ASN 179 Cb 0.31 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.60 1bwl h ASN 179 CO 0.00 0.23 -1.00 0.28 -1.06 0.00 0.00 177.43 175.88 1bwl h SER 180 N 0.00 0.89 -0.07 5.81 0.02 -1.04 -1.91 113.55 117.25 1bwl h SER 180 Ca -0.00 -0.74 -0.07 0.00 -0.84 0.00 0.00 61.79 60.14 1bwl h SER 180 Cb 0.61 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1bwl h SER 180 CO 0.03 1.51 -0.23 0.40 -1.14 0.00 0.00 176.83 177.39 1bwl h ILE 181 N 0.36 1.42 -0.62 3.27 1.08 -0.94 0.01 117.51 122.09 1bwl h ILE 181 Ca -0.12 -1.61 0.09 0.00 -0.39 0.00 0.00 64.86 62.83 1bwl h ILE 181 Cb 1.66 2.27 -0.04 0.00 -3.07 0.00 0.00 36.82 37.64 1bwl h ILE 181 CO 0.20 0.46 0.41 0.00 -0.69 0.00 0.00 178.15 178.53 1bwl h ALA 182 N 0.45 1.92 0.00 1.87 0.00 0.66 0.64 119.26 124.80 1bwl h ALA 182 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1bwl h ALA 182 Cb 0.86 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1bwl h ALA 182 CO 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1bwl n ALA 183 N -2.50 2.39 0.00 0.00 0.00 -0.72 -4.89 120.51 114.79 1bwl n ALA 183 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1bwl n ALA 183 Cb 0.32 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1bwl n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bwl n GLY 184 N 1.29 1.28 3.80 0.00 0.00 0.22 -4.59 105.19 107.19 1bwl n GLY 184 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1bwl n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwl s ALA 185 N -2.00 2.95 -1.64 4.61 0.00 -0.02 -4.94 121.76 120.71 1bwl s ALA 185 Ca 0.00 0.58 0.29 0.00 0.00 0.00 0.00 51.96 52.84 1bwl s ALA 185 Cb 0.00 -3.24 1.58 0.00 0.00 0.00 0.00 23.12 21.46 1bwl s ALA 185 CO 0.00 -0.20 2.05 -0.25 0.00 0.00 0.00 175.76 177.35 1bwl n ASP 186 N -0.72 0.00 0.00 0.00 8.00 -0.24 -4.55 116.55 119.03 1bwl n ASP 186 Ca 0.08 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.15 1bwl n ASP 186 Cb 0.52 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1bwl n ASP 186 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bwl n GLY 187 N 1.06 1.64 3.41 0.44 0.00 -1.24 -4.78 105.19 105.72 1bwl n GLY 187 Ca 0.17 -1.33 -0.22 0.00 0.00 0.00 0.00 46.02 44.63 1bwl n GLY 187 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bwl s VAL 188 N -1.93 2.18 -0.07 1.61 -7.23 -0.64 -1.53 120.40 112.79 1bwl s VAL 188 Ca 0.00 -2.25 0.05 0.00 -1.81 0.00 0.00 61.98 57.97 1bwl s VAL 188 Cb 0.00 -2.15 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 1bwl s VAL 188 CO 0.00 -0.41 -0.23 -0.70 -0.31 0.00 0.00 175.10 173.45 1bwl s GLU 189 N -3.36 2.56 -0.32 4.82 2.12 0.38 -2.17 118.70 122.73 1bwl s GLU 189 Ca 0.25 -0.84 -0.21 0.00 0.36 0.00 0.00 54.97 54.53 1bwl s GLU 189 Cb -0.04 -2.09 -0.01 0.00 0.26 0.00 0.00 34.13 32.25 1bwl s GLU 189 CO 0.11 0.29 0.65 0.42 -0.54 0.00 0.00 175.26 176.20 1bwl s ILE 190 N 0.04 4.90 -0.57 -3.70 1.01 0.04 -0.20 121.20 122.72 1bwl s ILE 190 Ca -0.08 0.85 -0.27 0.00 0.00 0.00 0.00 60.65 61.14 1bwl s ILE 190 Cb -0.15 -4.04 0.03 0.00 0.01 0.00 0.00 42.46 38.32 1bwl s ILE 190 CO 0.05 -0.20 1.11 0.21 0.00 0.00 0.00 174.94 176.11 1bwl s ASN 191 N 1.67 6.42 -0.23 3.58 3.84 -1.07 -1.54 114.94 127.61 1bwl s ASN 191 Ca 0.26 -0.04 0.13 0.00 0.21 0.00 0.00 52.86 53.43 1bwl s ASN 191 Cb -0.15 -2.51 0.46 0.00 -0.55 0.00 0.00 41.25 38.50 1bwl s ASN 191 CO 0.13 -1.39 1.18 -0.24 -2.79 0.00 0.00 177.10 173.99 1bwl n SER 192 N 8.10 3.00 -0.20 -4.21 2.88 -0.82 -4.67 113.62 117.70 1bwl n SER 192 Ca 0.06 -3.23 0.00 0.00 -1.33 0.00 0.00 58.87 54.37 1bwl n SER 192 Cb 0.48 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1bwl n SER 192 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bwl n ALA 193 N -0.65 0.00 -1.75 -1.46 0.00 -1.18 -4.20 120.51 111.28 1bwl n ALA 193 Ca 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.64 1bwl n ALA 193 Cb 0.89 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.33 1bwl n ALA 193 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1bwl n HIS 194 N 0.00 -0.55 -0.96 0.00 8.25 -1.26 -2.05 115.22 118.65 1bwl n HIS 194 Ca 0.00 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1bwl n HIS 194 Cb 0.00 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 30.65 1bwl n HIS 194 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bwl n GLY 195 N -0.39 0.80 3.69 -1.41 0.00 -1.26 -4.47 105.19 102.15 1bwl n GLY 195 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1bwl n GLY 195 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bwl s TYR 196 N -3.31 1.11 0.07 1.61 2.02 -0.87 -4.33 117.35 113.65 1bwl s TYR 196 Ca 0.00 0.55 -0.14 0.00 -0.37 0.00 0.00 57.07 57.11 1bwl s TYR 196 Cb 0.00 -3.56 -0.03 0.00 -0.40 0.00 0.00 41.96 37.97 1bwl s TYR 196 CO 0.00 -3.36 0.88 -0.11 -1.57 0.00 0.00 175.55 171.39 1bwl n LEU 197 N -4.39 -0.47 -0.22 -1.29 7.94 -0.85 -0.87 117.00 116.86 1bwl n LEU 197 Ca 0.12 0.98 0.02 0.00 -1.11 0.00 0.00 56.01 56.02 1bwl n LEU 197 Cb 0.59 -0.20 0.13 0.00 0.53 0.00 0.00 43.42 44.47 1bwl n LEU 197 CO 0.48 -0.74 0.99 -0.07 -1.11 0.00 0.00 177.39 176.94 1bwl h LEU 198 N 0.00 0.21 -0.68 -1.96 3.38 -1.83 -0.00 115.31 114.43 1bwl h LEU 198 Ca 0.07 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1bwl h LEU 198 Cb 0.18 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1bwl h LEU 198 CO -0.41 0.11 0.24 -1.13 0.09 0.00 0.00 178.44 177.33 1bwl h ASN 199 N 0.40 0.97 0.00 -0.43 -0.00 -1.40 -1.85 115.58 113.28 1bwl h ASN 199 Ca 0.34 -0.19 0.00 0.00 -0.00 0.00 0.00 56.30 56.45 1bwl h ASN 199 Cb 0.47 -0.25 0.00 0.00 -0.00 0.00 0.00 38.32 38.54 1bwl h ASN 199 CO -0.35 0.91 0.15 1.56 -0.00 0.00 0.00 177.43 179.69 1bwl h GLN 200 N 0.99 0.00 0.04 6.67 4.20 0.97 0.10 115.11 128.08 1bwl h GLN 200 Ca 0.22 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.57 1bwl h GLN 200 Cb 0.26 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 1bwl h GLN 200 CO -0.01 0.00 -2.17 1.19 -0.67 0.00 0.00 178.83 177.17 1bwl n PHE 201 N -2.85 0.60 -0.19 2.96 3.01 -0.76 -3.40 117.46 116.82 1bwl n PHE 201 Ca -0.02 0.15 -0.07 0.00 1.01 0.00 0.00 57.45 58.52 1bwl n PHE 201 Cb 0.20 -1.09 0.03 0.00 -0.01 0.00 0.00 39.48 38.61 1bwl n PHE 201 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1bwl h LEU 202 N 0.02 0.69 -9.34 4.37 3.38 -0.17 -3.42 115.31 110.84 1bwl h LEU 202 Ca -0.47 -0.08 -0.55 0.00 0.09 0.00 0.00 57.88 56.87 1bwl h LEU 202 Cb 2.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.59 1bwl h LEU 202 CO 0.02 0.57 0.70 -0.62 0.09 0.00 0.00 178.44 179.20 1bwl s ASP 203 N -5.84 7.03 0.51 -0.43 -1.08 0.02 -4.76 116.67 112.12 1bwl s ASP 203 Ca -0.13 1.87 0.16 0.00 -0.52 0.00 0.00 52.55 53.93 1bwl s ASP 203 Cb 0.12 -2.56 1.24 0.00 -1.46 0.00 0.00 42.92 40.26 1bwl s ASP 203 CO 0.76 -0.58 2.13 1.55 0.52 0.00 0.00 175.17 179.55 1bwl h PRO 204 N 7.42 0.06 -0.16 4.34 0.13 -1.84 0.23 132.00 142.17 1bwl h PRO 204 Ca -0.35 -0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.60 1bwl h PRO 204 Cb 1.17 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.29 1bwl h PRO 204 CO 0.87 0.04 -0.57 1.25 -0.23 0.00 0.00 178.00 179.36 1bwl h HIS 205 N 0.06 0.88 0.00 1.56 -0.00 -1.94 -3.30 115.15 112.41 1bwl h HIS 205 Ca 0.04 -0.36 -0.17 0.00 -0.00 0.00 0.00 60.37 59.87 1bwl h HIS 205 Cb 0.09 -0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.33 1bwl h HIS 205 CO -0.00 1.16 -1.16 0.66 -0.00 0.00 0.00 177.93 178.60 1bwl h SER 206 N 0.34 0.00 -3.09 3.26 4.64 -1.72 -3.43 113.55 113.55 1bwl h SER 206 Ca -0.03 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.54 1bwl h SER 206 Cb 1.20 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.05 1bwl h SER 206 CO 0.12 0.66 -0.17 0.21 -0.87 0.00 0.00 176.83 176.79 1bwl s ASN 207 N -6.12 6.21 -0.27 4.97 3.84 0.78 -3.84 114.94 120.51 1bwl s ASN 207 Ca -0.01 -1.78 0.10 0.00 0.21 0.00 0.00 52.86 51.39 1bwl s ASN 207 Cb 0.08 -2.22 0.50 0.00 -0.55 0.00 0.00 41.25 39.07 1bwl s ASN 207 CO 0.80 -0.88 1.45 0.35 -2.79 0.00 0.00 177.10 176.02 1bwl n THR 208 N 5.25 2.50 -1.09 -5.21 -2.24 -1.26 -4.67 114.28 107.56 1bwl n THR 208 Ca -0.13 -2.66 -0.30 0.00 -2.27 0.00 0.00 64.05 58.70 1bwl n THR 208 Cb 0.41 -0.31 0.15 0.00 -2.10 0.00 0.00 70.33 68.47 1bwl n THR 208 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1bwl s ARG 209 N -3.19 1.12 0.00 -0.78 0.52 -1.26 -4.97 118.95 110.38 1bwl s ARG 209 Ca 0.44 0.95 0.00 0.00 -0.52 0.00 0.00 55.73 56.59 1bwl s ARG 209 Cb 0.40 -1.78 0.00 0.00 0.52 0.00 0.00 34.95 34.08 1bwl s ARG 209 CO 0.01 -2.37 0.12 0.25 0.02 0.00 0.00 175.30 173.32 1bwl n THR 210 N -3.99 0.00 -1.32 0.02 -2.24 -1.26 -3.60 114.28 101.89 1bwl n THR 210 Ca 0.07 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1bwl n THR 210 Cb 0.54 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1bwl n THR 210 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bwl n ASP 211 N -0.70 0.00 0.00 3.42 5.68 -1.26 -4.80 116.55 118.89 1bwl n ASP 211 Ca 0.00 -0.75 0.00 0.00 -0.50 0.00 0.00 54.79 53.54 1bwl n ASP 211 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1bwl n ASP 211 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1bwl n GLU 212 N -0.75 0.00 -0.01 0.11 2.13 -1.26 -0.43 120.64 120.43 1bwl n GLU 212 Ca 0.00 0.07 0.03 0.00 0.66 0.00 0.00 57.16 57.92 1bwl n GLU 212 Cb 0.00 -1.51 0.03 0.00 0.27 0.00 0.00 31.44 30.23 1bwl n GLU 212 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1bwl n TYR 213 N -1.04 0.03 -3.96 4.31 4.01 -1.26 -4.64 117.16 114.60 1bwl n TYR 213 Ca 0.00 -0.06 -0.09 0.00 -0.16 0.00 0.00 57.90 57.59 1bwl n TYR 213 Cb 0.01 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 1bwl n TYR 213 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1bwl s GLY 214 N -0.53 0.46 0.00 2.72 0.00 0.42 -3.93 107.32 106.46 1bwl s GLY 214 Ca 0.07 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1bwl s GLY 214 CO 0.07 -0.88 0.00 0.61 0.00 0.00 0.00 173.10 172.90 1bwl n GLY 215 N -0.18 0.43 3.53 0.20 0.00 -1.24 -4.34 105.19 103.60 1bwl n GLY 215 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 1bwl n GLY 215 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bwl s SER 216 N -2.79 -0.32 0.31 1.61 1.04 -1.26 -4.98 113.70 107.32 1bwl s SER 216 Ca 0.00 0.05 0.06 0.00 0.48 0.00 0.00 55.95 56.54 1bwl s SER 216 Cb 0.00 0.32 0.72 0.00 0.10 0.00 0.00 66.02 67.16 1bwl s SER 216 CO 0.00 -0.50 1.81 0.40 0.98 0.00 0.00 173.24 175.92 1bwl h ILE 217 N 2.07 0.77 -0.17 -1.02 2.04 -1.97 0.11 117.51 119.34 1bwl h ILE 217 Ca -0.19 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1bwl h ILE 217 Cb 1.22 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1bwl h ILE 217 CO 0.29 0.15 0.01 -0.33 0.00 0.00 0.00 178.15 178.27 1bwl h GLU 218 N 0.80 0.30 -0.37 2.37 3.07 -1.96 -2.61 114.58 116.17 1bwl h GLU 218 Ca 0.54 -0.09 -0.15 0.00 -0.50 0.00 0.00 59.36 59.16 1bwl h GLU 218 Cb 0.80 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.67 1bwl h GLU 218 CO -0.32 0.49 -0.37 -0.91 -1.40 0.00 0.00 179.01 176.50 1bwl h ASN 219 N 0.06 0.94 -0.59 1.42 4.21 -1.52 -2.61 115.58 117.49 1bwl h ASN 219 Ca 0.05 -0.42 -0.08 0.00 1.21 0.00 0.00 56.30 57.06 1bwl h ASN 219 Cb 0.35 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 37.27 1bwl h ASN 219 CO 0.01 1.20 0.04 0.03 -1.29 0.00 0.00 177.43 177.42 1bwl h ARG 220 N 0.72 1.01 0.00 0.81 3.08 -0.86 -2.62 114.38 116.53 1bwl h ARG 220 Ca 0.06 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1bwl h ARG 220 Cb 0.95 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.90 1bwl h ARG 220 CO 0.09 0.98 0.00 0.00 -1.07 0.00 0.00 179.97 179.97 1bwl n ALA 221 N -2.46 2.48 0.01 0.04 0.00 -0.99 -3.60 120.51 116.00 1bwl n ALA 221 Ca 0.03 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.18 1bwl n ALA 221 Cb 0.32 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.24 1bwl n ALA 221 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1bwl h ARG 222 N 0.00 0.05 -0.35 0.00 2.43 -1.06 -2.61 114.38 112.83 1bwl h ARG 222 Ca 0.00 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1bwl h ARG 222 Cb 0.08 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1bwl h ARG 222 CO 0.00 0.19 0.15 0.35 -1.51 0.00 0.00 179.97 179.16 1bwl h PHE 223 N -0.11 0.28 -0.22 2.20 3.04 -1.78 -1.24 116.94 119.11 1bwl h PHE 223 Ca 0.01 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.00 1bwl h PHE 223 Cb 0.16 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.57 1bwl h PHE 223 CO -0.02 0.14 0.05 1.15 -2.02 0.00 0.00 178.31 177.61 1bwl h THR 224 N 0.32 0.90 -0.11 4.41 2.02 -1.82 -2.48 112.91 116.15 1bwl h THR 224 Ca 0.15 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.21 1bwl h THR 224 Cb 0.09 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1bwl h THR 224 CO -0.12 0.02 -0.26 -0.07 0.37 0.00 0.00 175.52 175.46 1bwl h LEU 225 N 0.14 0.19 -1.23 2.58 3.38 -1.28 -2.54 115.31 116.56 1bwl h LEU 225 Ca 0.10 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1bwl h LEU 225 Cb 0.09 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1bwl h LEU 225 CO -0.13 0.46 0.00 -0.33 0.09 0.00 0.00 178.44 178.53 1bwl h GLU 226 N 0.18 0.00 0.11 1.13 5.08 -0.78 -0.34 114.58 119.97 1bwl h GLU 226 Ca 0.03 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.16 1bwl h GLU 226 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1bwl h GLU 226 CO 0.04 0.00 -1.15 0.28 -1.00 0.00 0.00 179.01 177.18 1bwl h VAL 227 N 0.00 1.21 -0.39 3.13 2.07 -1.22 -2.45 116.25 118.60 1bwl h VAL 227 Ca 0.00 -2.43 0.04 0.00 0.82 0.00 0.00 66.70 65.13 1bwl h VAL 227 Cb 0.53 2.87 -0.04 0.00 -1.52 0.00 0.00 31.29 33.13 1bwl h VAL 227 CO 0.00 0.68 0.17 0.58 0.02 0.00 0.00 177.57 179.02 1bwl h VAL 228 N -0.40 0.93 0.00 2.57 2.07 -1.30 0.40 116.25 120.52 1bwl h VAL 228 Ca -0.24 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 1bwl h VAL 228 Cb 1.66 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1bwl h VAL 228 CO 0.07 0.06 -0.33 0.44 0.02 0.00 0.00 177.57 177.84 1bwl h ASP 229 N 0.35 0.00 0.11 0.57 3.32 -1.16 -0.86 116.42 118.74 1bwl h ASP 229 Ca 0.17 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.04 1bwl h ASP 229 Cb 0.12 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.69 1bwl h ASP 229 CO -0.15 0.33 -0.79 0.00 -1.72 0.00 0.00 179.24 176.91 1bwl h ALA 230 N 1.67 -0.05 -0.03 3.45 0.00 -0.76 -3.18 119.26 120.37 1bwl h ALA 230 Ca -0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 54.91 54.13 1bwl h ALA 230 Cb 0.63 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1bwl h ALA 230 CO 0.04 0.39 -0.49 -0.07 0.00 0.00 0.00 179.25 179.13 1bwl h LEU 231 N -0.26 0.07 -1.07 0.00 3.38 -0.14 -2.44 115.31 114.86 1bwl h LEU 231 Ca -0.13 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1bwl h LEU 231 Cb 1.58 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 1bwl h LEU 231 CO 0.15 0.55 -0.14 0.58 0.09 0.00 0.00 178.44 179.67 1bwl h VAL 232 N 0.05 1.23 0.00 1.22 2.07 -1.25 -1.25 116.25 118.32 1bwl h VAL 232 Ca -0.00 -1.05 -0.14 0.00 0.82 0.00 0.00 66.70 66.33 1bwl h VAL 232 Cb 0.88 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1bwl h VAL 232 CO 0.07 0.34 -0.67 1.05 0.02 0.00 0.00 177.57 178.38 1bwl h GLU 233 N 0.46 0.00 0.11 1.57 -0.00 -1.46 -1.90 114.58 113.35 1bwl h GLU 233 Ca 0.08 0.00 -0.19 0.00 -0.00 0.00 0.00 59.36 59.25 1bwl h GLU 233 Cb 0.52 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.28 1bwl h GLU 233 CO 0.03 0.67 -0.93 0.00 -0.00 0.00 0.00 179.01 178.79 1bwl h ALA 234 N 1.33 0.02 0.00 1.06 0.00 -1.07 -3.42 119.26 117.18 1bwl h ALA 234 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1bwl h ALA 234 Cb 1.40 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1bwl h ALA 234 CO 0.09 0.49 0.00 0.44 0.00 0.00 0.00 179.25 180.27 1bwl n ILE 235 N -4.14 0.15 0.00 0.00 -5.35 -0.51 -5.03 119.36 104.48 1bwl n ILE 235 Ca -0.18 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 1bwl n ILE 235 Cb 0.80 1.11 0.00 0.00 -1.74 0.00 0.00 39.64 39.81 1bwl n ILE 235 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bwl n GLY 236 N -0.07 -0.30 0.38 3.28 0.00 -0.72 -4.62 105.19 103.14 1bwl n GLY 236 Ca 0.00 -1.38 0.19 0.00 0.00 0.00 0.00 46.02 44.83 1bwl n GLY 236 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1bwl h HIS 237 N 0.00 0.10 -0.09 1.61 2.07 -1.86 -1.64 115.15 115.34 1bwl h HIS 237 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1bwl h HIS 237 Cb 0.00 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 29.95 1bwl h HIS 237 CO 0.00 0.04 0.00 -0.85 -3.07 0.00 0.00 177.93 174.05 1bwl n GLU 238 N -4.40 1.37 -0.25 5.12 0.00 -1.26 -2.29 120.64 118.93 1bwl n GLU 238 Ca 0.10 -0.38 0.03 0.00 0.00 0.00 0.00 57.16 56.92 1bwl n GLU 238 Cb 0.58 -1.34 0.05 0.00 0.00 0.00 0.00 31.44 30.72 1bwl n GLU 238 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1bwl n LYS 239 N -0.07 0.70 -3.83 3.44 5.02 -0.62 -4.06 118.16 118.75 1bwl n LYS 239 Ca 0.03 -1.52 -0.23 0.00 -2.02 0.00 0.00 58.31 54.58 1bwl n LYS 239 Cb 0.23 -0.88 -0.17 0.00 -0.02 0.00 0.00 35.03 34.18 1bwl n LYS 239 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1bwl s VAL 240 N -1.06 0.44 0.14 -0.18 1.01 -0.97 -1.62 120.40 118.17 1bwl s VAL 240 Ca 0.11 0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.25 1bwl s VAL 240 Cb 0.09 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1bwl s VAL 240 CO 0.01 0.26 -0.22 -0.83 0.00 0.00 0.00 175.10 174.32 1bwl s GLY 241 N 1.81 1.46 -0.07 4.51 0.00 -0.92 -1.90 107.32 112.21 1bwl s GLY 241 Ca 0.03 -1.44 0.04 0.00 0.00 0.00 0.00 44.72 43.34 1bwl s GLY 241 CO -0.05 -1.46 -0.18 -2.27 0.00 0.00 0.00 173.10 169.14 1bwl s LEU 242 N -2.29 2.48 -0.15 0.66 2.96 -1.17 -0.78 118.68 120.39 1bwl s LEU 242 Ca 0.14 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1bwl s LEU 242 Cb -0.09 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 1bwl s LEU 242 CO 0.06 0.27 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.67 1bwl s ARG 243 N -0.31 3.46 0.16 1.98 3.52 -0.59 -0.09 118.95 127.09 1bwl s ARG 243 Ca 0.02 -0.63 0.07 0.00 -0.13 0.00 0.00 55.73 55.05 1bwl s ARG 243 Cb -0.13 -2.77 -0.04 0.00 -1.56 0.00 0.00 34.95 30.45 1bwl s ARG 243 CO 0.03 0.15 -0.14 -0.51 -0.81 0.00 0.00 175.30 174.02 1bwl s LEU 244 N 0.54 2.49 -0.41 -0.88 1.02 -0.74 -1.94 118.68 118.76 1bwl s LEU 244 Ca -0.06 -0.93 0.06 0.00 0.02 0.00 0.00 54.13 53.22 1bwl s LEU 244 Cb -0.15 -0.60 0.21 0.00 0.02 0.00 0.00 46.19 45.67 1bwl s LEU 244 CO 0.03 -0.17 0.43 -1.54 0.02 0.00 0.00 176.35 175.12 1bwl n SER 245 N 0.05 -0.03 -0.36 2.29 3.41 -1.26 -2.11 113.62 115.61 1bwl n SER 245 Ca -0.12 -2.55 -0.06 0.00 -0.26 0.00 0.00 58.87 55.88 1bwl n SER 245 Cb 0.59 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 1bwl n SER 245 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1bwl h PRO 246 N 4.89 -0.05 -0.60 4.33 0.11 -1.97 -2.08 132.00 136.63 1bwl h PRO 246 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1bwl h PRO 246 Cb 0.89 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1bwl h PRO 246 CO 0.43 -0.03 0.00 0.66 -0.21 0.00 0.00 178.00 178.84 1bwl n TYR 247 N -5.38 0.91 -1.89 0.65 4.01 -1.26 -4.44 117.16 109.76 1bwl n TYR 247 Ca 0.05 -0.42 -0.38 0.00 -0.16 0.00 0.00 57.90 57.00 1bwl n TYR 247 Cb 0.34 -0.06 0.04 0.00 -0.31 0.00 0.00 39.34 39.34 1bwl n TYR 247 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1bwl s GLY 248 N -0.94 2.84 0.00 2.72 0.00 -0.78 -4.47 107.32 106.68 1bwl s GLY 248 Ca 0.40 1.20 0.00 0.00 0.00 0.00 0.00 44.72 46.32 1bwl s GLY 248 CO 0.25 1.67 0.00 3.33 0.00 0.00 0.00 173.10 178.35 1bwl n VAL 249 N -1.18 0.00 -1.54 1.40 0.24 -1.11 -3.42 118.33 112.73 1bwl n VAL 249 Ca 0.11 -0.33 -0.39 0.00 -2.04 0.00 0.00 64.34 61.69 1bwl n VAL 249 Cb 0.47 0.87 0.03 0.00 -1.47 0.00 0.00 33.84 33.74 1bwl n VAL 249 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1bwl n PHE 250 N -0.96 0.18 -1.77 6.34 7.35 -1.16 -2.22 117.46 125.21 1bwl n PHE 250 Ca 0.00 0.49 -0.19 0.00 -0.76 0.00 0.00 57.45 56.98 1bwl n PHE 250 Cb 0.00 -2.07 -0.07 0.00 0.35 0.00 0.00 39.48 37.69 1bwl n PHE 250 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1bwl n ASN 251 N 0.24 -5.24 -1.31 -2.13 3.02 -1.26 -3.31 115.26 105.26 1bwl n ASN 251 Ca 0.12 0.37 -0.04 0.00 -0.03 0.00 0.00 54.58 54.99 1bwl n ASN 251 Cb 0.45 -4.59 0.02 0.00 -0.61 0.00 0.00 39.78 35.04 1bwl n ASN 251 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1bwl n SER 252 N -1.40 -2.53 -4.93 6.41 7.64 -1.03 -4.85 113.62 112.93 1bwl n SER 252 Ca -0.20 -0.12 -0.28 0.00 1.01 0.00 0.00 58.87 59.28 1bwl n SER 252 Cb 0.65 -1.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.35 1bwl n SER 252 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1bwl s MET 253 N -4.85 3.47 0.04 1.43 -1.94 -0.94 -4.76 119.30 111.76 1bwl s MET 253 Ca 0.07 -0.47 -0.33 0.00 -1.71 0.00 0.00 55.69 53.24 1bwl s MET 253 Cb -0.03 -2.95 -0.19 0.00 2.01 0.00 0.00 34.83 33.68 1bwl s MET 253 CO 0.15 0.51 1.42 0.77 -0.01 0.00 0.00 175.02 177.86 1bwl h SER 254 N 2.35 -0.96 0.00 3.03 0.02 -1.88 -3.41 113.55 112.71 1bwl h SER 254 Ca -0.47 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1bwl h SER 254 Cb 1.18 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1bwl h SER 254 CO 0.70 -0.63 0.00 0.61 -1.14 0.00 0.00 176.83 176.38 1bwl n GLY 255 N -1.27 -1.36 0.00 -3.77 0.00 -1.22 -3.98 105.19 93.59 1bwl n GLY 255 Ca -0.15 -1.28 0.02 0.00 0.00 0.00 0.00 46.02 44.61 1bwl n GLY 255 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bwl n GLY 256 N 0.00 -0.22 0.08 -0.02 0.00 -1.26 -1.19 105.19 102.58 1bwl n GLY 256 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1bwl n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwl n ALA 257 N -1.11 2.69 -2.68 4.61 0.00 -1.26 -4.60 120.51 118.17 1bwl n ALA 257 Ca 0.02 -0.17 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 1bwl n ALA 257 Cb 0.02 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 1bwl n ALA 257 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1bwl s GLU 258 N -3.14 3.24 0.61 0.00 2.56 -0.33 -4.91 118.70 116.73 1bwl s GLU 258 Ca 0.08 -0.53 0.30 0.00 0.00 0.00 0.00 54.97 54.82 1bwl s GLU 258 Cb 0.13 -4.05 1.65 0.00 2.00 0.00 0.00 34.13 33.85 1bwl s GLU 258 CO 0.68 -1.29 2.01 1.79 -0.56 0.00 0.00 175.26 177.89 1bwl h THR 259 N 5.93 0.30 -0.50 -1.70 1.35 -1.86 -0.06 112.91 116.37 1bwl h THR 259 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1bwl h THR 259 Cb 1.09 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1bwl h THR 259 CO 1.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.88 1bwl n GLY 260 N -1.37 2.10 0.35 5.82 0.00 -1.26 -4.56 105.19 106.26 1bwl n GLY 260 Ca 0.02 -0.68 0.02 0.00 0.00 0.00 0.00 46.02 45.38 1bwl n GLY 260 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1bwl h ILE 261 N 3.91 1.05 -0.49 -0.61 6.09 -1.29 -1.80 117.51 124.37 1bwl h ILE 261 Ca 0.00 -0.36 -0.13 0.00 -1.37 0.00 0.00 64.86 63.00 1bwl h ILE 261 Cb 0.92 -0.11 -0.01 0.00 0.47 0.00 0.00 36.82 38.09 1bwl h ILE 261 CO 0.00 0.19 -0.19 0.58 -3.07 0.00 0.00 178.15 175.66 1bwl h VAL 262 N 1.06 1.27 -0.41 2.19 2.07 -1.80 -2.76 116.25 117.87 1bwl h VAL 262 Ca 0.41 -1.35 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 1bwl h VAL 262 Cb 0.20 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1bwl h VAL 262 CO -0.18 0.47 0.04 0.00 0.02 0.00 0.00 177.57 177.91 1bwl h ALA 263 N 0.93 1.29 -0.71 1.67 0.00 -1.70 -0.27 119.26 120.46 1bwl h ALA 263 Ca 0.12 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1bwl h ALA 263 Cb 0.76 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1bwl h ALA 263 CO 0.06 0.48 0.17 0.37 0.00 0.00 0.00 179.25 180.33 1bwl h GLN 264 N 0.62 1.15 0.03 0.00 5.75 -1.10 -2.35 115.11 119.21 1bwl h GLN 264 Ca 0.13 -0.28 -0.25 0.00 -0.15 0.00 0.00 58.65 58.10 1bwl h GLN 264 Cb 0.33 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.71 1bwl h GLN 264 CO 0.01 1.01 -1.25 1.88 -2.65 0.00 0.00 178.83 177.82 1bwl h TYR 265 N 1.08 0.12 0.00 3.99 0.05 -1.22 -3.18 116.97 117.82 1bwl h TYR 265 Ca 0.22 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.86 1bwl h TYR 265 Cb 0.38 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 1bwl h TYR 265 CO 0.03 1.09 -0.24 0.00 -1.05 0.00 0.00 178.16 177.99 1bwl h ALA 266 N 0.88 1.36 -0.34 3.88 0.00 -0.97 -1.91 119.26 122.16 1bwl h ALA 266 Ca -0.12 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 1bwl h ALA 266 Cb 1.88 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 1bwl h ALA 266 CO 0.13 0.30 -0.39 -0.92 0.00 0.00 0.00 179.25 178.37 1bwl h TYR 267 N 0.00 1.05 -0.35 0.00 3.20 -1.42 -0.46 116.97 118.99 1bwl h TYR 267 Ca -0.00 -0.33 -0.03 0.00 3.14 0.00 0.00 58.73 61.51 1bwl h TYR 267 Cb 0.50 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1bwl h TYR 267 CO 0.00 1.14 0.09 0.28 -1.64 0.00 0.00 178.16 178.03 1bwl h VAL 268 N 0.66 1.22 -0.07 1.81 2.07 -1.40 -2.73 116.25 117.82 1bwl h VAL 268 Ca 0.05 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1bwl h VAL 268 Cb 0.99 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1bwl h VAL 268 CO 0.09 0.25 0.04 0.00 0.02 0.00 0.00 177.57 177.98 1bwl h ALA 269 N 0.93 0.09 -0.94 1.67 0.00 -1.29 -1.60 119.26 118.11 1bwl h ALA 269 Ca 0.11 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.17 1bwl h ALA 269 Cb 0.29 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1bwl h ALA 269 CO 0.00 -0.39 0.60 0.78 0.00 0.00 0.00 179.25 180.24 1bwl h GLY 270 N 0.05 1.27 1.77 0.00 0.00 -1.01 -0.64 103.07 104.51 1bwl h GLY 270 Ca 0.02 -0.28 -0.23 0.00 0.00 0.00 0.00 47.33 46.85 1bwl h GLY 270 CO -0.00 0.01 -1.02 0.83 0.00 0.00 0.00 176.54 176.35 1bwl h GLU 271 N 0.61 0.19 -0.03 4.80 4.39 -1.15 -1.47 114.58 121.92 1bwl h GLU 271 Ca 0.50 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 1bwl h GLU 271 Cb 0.96 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1bwl h GLU 271 CO -0.25 1.06 0.00 -0.07 -1.16 0.00 0.00 179.01 178.59 1bwl h LEU 272 N 0.08 0.04 -1.51 1.33 4.07 -0.21 -2.31 115.31 116.80 1bwl h LEU 272 Ca -0.07 -0.26 -0.04 0.00 0.08 0.00 0.00 57.88 57.59 1bwl h LEU 272 Cb 1.71 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 43.44 1bwl h LEU 272 CO 0.16 0.30 -0.20 -0.08 -1.08 0.00 0.00 178.44 177.54 1bwl h GLU 273 N -0.21 0.00 0.87 1.13 4.57 -1.23 -1.03 114.58 118.68 1bwl h GLU 273 Ca 0.01 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1bwl h GLU 273 Cb 0.27 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1bwl h GLU 273 CO 0.00 0.20 -0.42 -0.22 -1.18 0.00 0.00 179.01 177.39 1bwl h LYS 274 N 0.00 -1.13 -0.69 1.92 3.64 -0.95 -2.15 116.57 117.21 1bwl h LYS 274 Ca -0.00 0.08 0.14 0.00 -1.27 0.00 0.00 60.65 59.60 1bwl h LYS 274 Cb 0.55 0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 32.58 1bwl h LYS 274 CO 0.03 -0.75 0.47 0.00 -2.27 0.00 0.00 179.45 176.92 1bwl h ARG 275 N -1.17 0.33 -0.79 1.90 3.08 -1.04 0.80 114.38 117.50 1bwl h ARG 275 Ca -0.12 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 59.97 1bwl h ARG 275 Cb 0.90 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.82 1bwl h ARG 275 CO 0.20 0.22 0.48 0.00 -1.07 0.00 0.00 179.97 179.79 1bwl h ALA 276 N 1.67 1.07 -0.18 0.04 0.00 -0.59 -0.26 119.26 121.01 1bwl h ALA 276 Ca 0.34 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1bwl h ALA 276 Cb 0.84 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1bwl h ALA 276 CO -0.09 0.21 -0.31 0.87 0.00 0.00 0.00 179.25 179.93 1bwl h LYS 277 N 0.88 0.35 -0.96 0.00 1.57 -0.27 -1.58 116.57 116.58 1bwl h LYS 277 Ca 0.34 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1bwl h LYS 277 Cb 0.15 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1bwl h LYS 277 CO -0.17 0.63 0.00 0.00 -0.57 0.00 0.00 179.45 179.34 1bwl n ALA 278 N -2.48 2.36 0.00 3.86 0.00 -0.19 -4.81 120.51 119.25 1bwl n ALA 278 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1bwl n ALA 278 Cb 0.42 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1bwl n ALA 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bwl n GLY 279 N 0.19 2.31 2.46 0.00 0.00 -0.59 -4.95 105.19 104.60 1bwl n GLY 279 Ca 0.00 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1bwl n GLY 279 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bwl n LYS 280 N 0.00 3.08 -2.92 1.61 4.01 -0.70 -4.89 118.16 118.35 1bwl n LYS 280 Ca 0.00 -2.00 -0.42 0.00 -0.51 0.00 0.00 58.31 55.38 1bwl n LYS 280 Cb 0.00 -2.74 -0.05 0.00 -0.51 0.00 0.00 35.03 31.73 1bwl n LYS 280 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1bwl s ARG 281 N 2.72 3.91 0.52 1.97 3.52 -1.26 -3.95 118.95 126.39 1bwl s ARG 281 Ca 0.59 0.55 -0.21 0.00 -0.13 0.00 0.00 55.73 56.53 1bwl s ARG 281 Cb 0.15 -3.75 -0.08 0.00 -1.56 0.00 0.00 34.95 29.71 1bwl s ARG 281 CO -0.05 -0.75 0.91 1.28 -0.81 0.00 0.00 175.30 175.89 1bwl n LEU 282 N 6.33 2.79 -0.33 -0.88 4.77 -1.26 -4.45 117.00 123.97 1bwl n LEU 282 Ca 0.04 0.89 0.18 0.00 -0.03 0.00 0.00 56.01 57.09 1bwl n LEU 282 Cb 0.48 -1.34 0.42 0.00 -2.33 0.00 0.00 43.42 40.64 1bwl n LEU 282 CO 0.52 -1.89 1.20 0.00 -1.33 0.00 0.00 177.39 175.89 1bwl h ALA 283 N 0.89 1.93 -2.42 -1.18 0.00 -1.06 -3.46 119.26 113.97 1bwl h ALA 283 Ca -0.46 0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.66 1bwl h ALA 283 Cb 1.36 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1bwl h ALA 283 CO 0.53 -0.33 0.52 1.97 0.00 0.00 0.00 179.25 181.94 1bwl n PHE 284 N -4.72 -1.24 -3.71 0.00 -1.74 -1.26 -4.39 117.46 100.41 1bwl n PHE 284 Ca 0.24 -1.10 -0.23 0.00 -0.56 0.00 0.00 57.45 55.81 1bwl n PHE 284 Cb 0.72 0.53 -0.18 0.00 1.52 0.00 0.00 39.48 42.08 1bwl n PHE 284 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1bwl s VAL 285 N -2.12 0.15 -0.04 1.97 1.01 -1.09 -3.02 120.40 117.24 1bwl s VAL 285 Ca 0.20 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.18 1bwl s VAL 285 Cb -0.02 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 1bwl s VAL 285 CO 0.05 0.11 0.34 -2.28 0.00 0.00 0.00 175.10 173.32 1bwl s HIS 286 N 2.06 3.67 -0.14 5.22 2.46 0.88 -1.25 115.29 128.18 1bwl s HIS 286 Ca 0.04 0.86 -0.03 0.00 0.47 0.00 0.00 55.06 56.40 1bwl s HIS 286 Cb -0.13 -2.23 0.05 0.00 -0.13 0.00 0.00 32.58 30.13 1bwl s HIS 286 CO -0.05 0.61 0.03 -0.51 -2.47 0.00 0.00 174.74 172.35 1bwl s LEU 287 N -0.85 0.80 0.02 8.88 1.43 0.75 -1.80 118.68 127.90 1bwl s LEU 287 Ca 0.21 -0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 52.53 1bwl s LEU 287 Cb -0.15 -0.47 -0.05 0.00 0.03 0.00 0.00 46.19 45.55 1bwl s LEU 287 CO 0.10 -0.27 1.24 -0.69 0.23 0.00 0.00 176.35 176.96 1bwl s VAL 288 N 1.95 4.03 0.42 -1.59 1.01 -0.90 -2.02 120.40 123.31 1bwl s VAL 288 Ca 0.02 1.42 -0.22 0.00 0.00 0.00 0.00 61.98 63.20 1bwl s VAL 288 Cb -0.15 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 1bwl s VAL 288 CO -0.07 0.06 1.01 -1.61 0.00 0.00 0.00 175.10 174.48 1bwl s GLU 289 N 1.63 4.12 0.38 2.72 0.41 0.85 -4.62 118.70 124.19 1bwl s GLU 289 Ca 0.59 1.34 0.28 0.00 -0.41 0.00 0.00 54.97 56.76 1bwl s GLU 289 Cb -0.29 -2.34 1.25 0.00 -1.78 0.00 0.00 34.13 30.98 1bwl s GLU 289 CO 0.26 -0.15 1.83 -1.00 -0.49 0.00 0.00 175.26 175.71 1bwl h PRO 290 N 2.14 0.00 -0.89 0.39 0.13 -1.90 -2.67 132.00 129.20 1bwl h PRO 290 Ca -0.49 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.86 1bwl h PRO 290 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 1bwl h PRO 290 CO 0.61 0.00 0.37 0.00 -0.23 0.00 0.00 178.00 178.75 1bwl h ARG 291 N 0.00 0.36 -4.86 0.86 3.08 -1.83 -1.39 114.38 110.61 1bwl h ARG 291 Ca 0.00 -0.02 -0.67 0.00 0.07 0.00 0.00 59.98 59.36 1bwl h ARG 291 Cb 0.29 -0.08 -0.36 0.00 0.08 0.00 0.00 29.97 29.90 1bwl h ARG 291 CO 0.00 0.24 -0.78 0.08 -1.07 0.00 0.00 179.97 178.44 1bwl s VAL 292 N -5.90 2.33 -0.99 2.04 1.01 -1.01 -2.92 120.40 114.97 1bwl s VAL 292 Ca -0.12 -1.55 0.23 0.00 0.00 0.00 0.00 61.98 60.54 1bwl s VAL 292 Cb 0.25 -2.35 -0.10 0.00 0.00 0.00 0.00 36.38 34.19 1bwl s VAL 292 CO 0.78 -0.02 1.18 0.35 0.00 0.00 0.00 175.10 177.39 1bwl n THR 293 N 4.48 0.01 -3.46 3.92 -2.24 0.19 -4.69 114.28 112.49 1bwl n THR 293 Ca -0.14 -0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.52 1bwl n THR 293 Cb 0.43 0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 69.13 1bwl n THR 293 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1bwl s ASN 294 N -3.03 0.42 0.53 3.42 3.84 -1.26 -2.74 114.94 116.12 1bwl s ASN 294 Ca 0.09 0.28 0.28 0.00 0.21 0.00 0.00 52.86 53.73 1bwl s ASN 294 Cb 0.17 0.94 1.42 0.00 -0.55 0.00 0.00 41.25 43.23 1bwl s ASN 294 CO 0.78 -0.29 1.93 1.55 -2.79 0.00 0.00 177.10 178.28 1bwl h PRO 295 N 8.22 0.03 -0.85 0.43 0.13 -1.95 -1.87 132.00 136.14 1bwl h PRO 295 Ca -0.18 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.93 1bwl h PRO 295 Cb 1.14 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1bwl h PRO 295 CO 0.24 0.02 0.02 1.19 -0.23 0.00 0.00 178.00 179.24 1bwl n PHE 296 N -4.33 0.88 -4.66 1.56 3.72 -1.26 -4.79 117.46 108.58 1bwl n PHE 296 Ca 0.15 -0.36 -0.33 0.00 -0.05 0.00 0.00 57.45 56.85 1bwl n PHE 296 Cb 0.80 -0.29 -0.12 0.00 -0.94 0.00 0.00 39.48 38.93 1bwl n PHE 296 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1bwl s LEU 297 N -1.13 3.03 0.71 4.37 1.43 -0.71 -5.09 118.68 121.29 1bwl s LEU 297 Ca 0.22 -0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 53.04 1bwl s LEU 297 Cb 0.17 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1bwl s LEU 297 CO 0.06 0.30 0.52 0.41 0.23 0.00 0.00 176.35 177.87 1bwl n THR 298 N 2.67 1.78 -1.68 5.49 -1.04 -1.26 -4.74 114.28 115.50 1bwl n THR 298 Ca -0.18 -0.40 -0.47 0.00 -2.04 0.00 0.00 64.05 60.96 1bwl n THR 298 Cb 0.53 -0.73 -0.04 0.00 -1.82 0.00 0.00 70.33 68.27 1bwl n THR 298 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1bwl n GLU 299 N -0.67 2.24 0.00 -2.82 4.71 -1.26 -0.54 120.64 122.30 1bwl n GLU 299 Ca 0.10 0.82 0.00 0.00 -0.01 0.00 0.00 57.16 58.07 1bwl n GLU 299 Cb 0.50 -2.65 0.00 0.00 -1.01 0.00 0.00 31.44 28.28 1bwl n GLU 299 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1bwl n GLY 300 N 4.10 2.87 3.68 0.62 0.00 -1.26 -5.06 105.19 110.15 1bwl n GLY 300 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1bwl n GLY 300 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bwl s GLU 301 N -0.52 4.16 0.00 1.61 2.02 0.30 -4.23 118.70 122.04 1bwl s GLU 301 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 54.97 54.98 1bwl s GLU 301 Cb 0.00 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.73 1bwl s GLU 301 CO 0.00 0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.77 1bwl n GLY 302 N 3.88 1.22 3.70 -1.39 0.00 -1.26 -4.57 105.19 106.77 1bwl n GLY 302 Ca -0.12 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 1bwl n GLY 302 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bwl s GLU 303 N -2.02 4.34 -0.36 1.61 2.12 -1.15 -0.63 118.70 122.61 1bwl s GLU 303 Ca 0.00 0.68 -0.07 0.00 0.36 0.00 0.00 54.97 55.94 1bwl s GLU 303 Cb 0.00 -3.49 0.05 0.00 0.26 0.00 0.00 34.13 30.95 1bwl s GLU 303 CO 0.00 -0.01 0.15 -0.47 -0.54 0.00 0.00 175.26 174.38 1bwl s TYR 304 N 1.13 3.29 -0.30 5.30 5.04 -0.52 -4.93 117.35 126.35 1bwl s TYR 304 Ca 0.32 -1.49 0.23 0.00 -2.44 0.00 0.00 57.07 53.68 1bwl s TYR 304 Cb -0.16 -2.49 0.00 0.00 0.35 0.00 0.00 41.96 39.66 1bwl s TYR 304 CO 0.13 -0.77 1.01 0.39 -1.34 0.00 0.00 175.55 174.97 1bwl n GLU 305 N 4.83 0.54 0.00 4.97 4.71 -1.26 -4.01 120.64 130.41 1bwl n GLU 305 Ca -0.11 0.07 0.10 0.00 -0.01 0.00 0.00 57.16 57.20 1bwl n GLU 305 Cb 0.44 -1.75 0.53 0.00 -1.01 0.00 0.00 31.44 29.65 1bwl n GLU 305 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1bwl n GLY 306 N 1.23 -0.77 3.21 0.62 0.00 -1.26 -4.78 105.19 103.44 1bwl n GLY 306 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 1bwl n GLY 306 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bwl s GLY 307 N -2.30 0.39 0.07 -0.02 0.00 -1.26 -5.10 107.32 99.10 1bwl s GLY 307 Ca 0.23 -0.92 -0.07 0.00 0.00 0.00 0.00 44.72 43.97 1bwl s GLY 307 CO 0.26 -0.98 0.13 -0.45 0.00 0.00 0.00 173.10 172.05 1bwl s SER 308 N -2.93 0.20 0.18 1.64 0.15 -1.26 -4.93 113.70 106.75 1bwl s SER 308 Ca 0.11 -0.67 0.22 0.00 0.70 0.00 0.00 55.95 56.31 1bwl s SER 308 Cb 0.05 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.61 1bwl s SER 308 CO -0.06 -0.64 0.98 0.59 1.20 0.00 0.00 173.24 175.30 1bwl n ASN 309 N 0.21 0.76 -0.55 5.45 3.02 -1.26 -4.45 115.26 118.44 1bwl n ASN 309 Ca -0.16 0.29 0.43 0.00 -0.03 0.00 0.00 54.58 55.12 1bwl n ASN 309 Cb 0.61 0.61 0.69 0.00 -0.61 0.00 0.00 39.78 41.08 1bwl n ASN 309 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1bwl n ASP 310 N -2.64 0.10 0.19 6.41 8.00 -1.26 -1.51 116.55 125.84 1bwl n ASP 310 Ca -0.01 1.12 0.15 0.00 0.71 0.00 0.00 54.79 56.76 1bwl n ASP 310 Cb 0.56 -0.55 0.76 0.00 -0.02 0.00 0.00 41.12 41.86 1bwl n ASP 310 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1bwl h PHE 311 N 0.00 0.00 -0.67 1.24 -0.00 -2.03 -2.23 116.94 113.25 1bwl h PHE 311 Ca 0.85 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 58.78 1bwl h PHE 311 Cb 3.06 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 38.98 1bwl h PHE 311 CO -0.00 0.00 0.29 0.28 -0.00 0.00 0.00 178.31 178.87 1bwl h VAL 312 N 0.00 1.23 0.00 0.88 2.07 -1.63 -2.58 116.25 116.22 1bwl h VAL 312 Ca 0.09 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1bwl h VAL 312 Cb 0.40 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1bwl h VAL 312 CO -0.00 0.28 -0.01 1.88 0.02 0.00 0.00 177.57 179.74 1bwl h TYR 313 N 0.97 0.00 0.00 1.57 -1.99 -1.61 0.18 116.97 116.09 1bwl h TYR 313 Ca 0.23 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.85 1bwl h TYR 313 Cb 0.16 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.87 1bwl h TYR 313 CO 0.01 0.01 -0.51 0.77 -0.00 0.00 0.00 178.16 178.44 1bwl h SER 314 N 0.00 0.00 0.00 3.88 0.02 -1.57 -3.40 113.55 112.48 1bwl h SER 314 Ca -0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1bwl h SER 314 Cb 0.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1bwl h SER 314 CO 0.00 0.51 -1.41 -0.38 -1.14 0.00 0.00 176.83 174.41 1bwl n ILE 315 N -3.31 1.33 -2.91 3.27 5.41 -0.39 -4.96 119.36 117.80 1bwl n ILE 315 Ca 0.01 -0.02 -0.41 0.00 1.00 0.00 0.00 62.75 63.33 1bwl n ILE 315 Cb 0.69 -2.01 -0.04 0.00 -0.71 0.00 0.00 39.64 37.57 1bwl n ILE 315 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 176.55 177.41 1bwl s TRP 316 N -2.57 3.64 -0.63 1.39 -0.11 0.51 -4.82 118.94 116.34 1bwl s TRP 316 Ca -0.26 1.46 0.14 0.00 1.22 0.00 0.00 56.10 58.65 1bwl s TRP 316 Cb 0.07 -2.92 0.42 0.00 -1.50 0.00 0.00 33.47 29.54 1bwl s TRP 316 CO 0.35 0.08 1.35 1.63 -4.62 0.00 0.00 176.95 175.75 1bwl n LYS 317 N 3.65 2.96 -1.13 5.86 4.76 -1.26 -4.41 118.16 128.58 1bwl n LYS 317 Ca 0.01 -2.42 -0.00 0.00 -2.87 0.00 0.00 58.31 53.03 1bwl n LYS 317 Cb 0.51 -1.54 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 1bwl n LYS 317 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bwl n GLY 318 N 0.14 2.17 3.77 0.72 0.00 -1.26 -5.06 105.19 105.66 1bwl n GLY 318 Ca 0.16 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 1bwl n GLY 318 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bwl s PRO 319 N -2.03 4.35 -0.08 1.61 0.02 -1.26 -4.96 135.00 132.65 1bwl s PRO 319 Ca 0.01 2.22 -0.01 0.00 0.02 0.00 0.00 61.00 63.24 1bwl s PRO 319 Cb -0.00 -3.08 0.03 0.00 0.02 0.00 0.00 34.50 31.47 1bwl s PRO 319 CO 0.00 -0.21 -0.02 0.54 -0.33 0.00 0.00 177.00 176.98 1bwl s VAL 320 N -1.00 0.56 -0.04 3.83 0.11 -0.67 -2.68 120.40 120.51 1bwl s VAL 320 Ca 0.50 -0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 59.36 1bwl s VAL 320 Cb -0.40 -0.66 -0.05 0.00 -1.53 0.00 0.00 36.38 33.74 1bwl s VAL 320 CO 0.52 0.28 0.49 -0.63 -3.33 0.00 0.00 175.10 172.42 1bwl s ILE 321 N 1.71 5.03 -0.10 7.04 1.01 -0.38 -1.98 121.20 133.53 1bwl s ILE 321 Ca 0.02 1.00 0.04 0.00 0.00 0.00 0.00 60.65 61.71 1bwl s ILE 321 Cb -0.13 -3.81 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1bwl s ILE 321 CO -0.05 0.45 -0.23 -0.13 0.00 0.00 0.00 174.94 174.98 1bwl s ARG 322 N -0.24 2.97 -0.05 2.79 0.52 0.14 -0.18 118.95 124.88 1bwl s ARG 322 Ca 0.26 -0.85 0.05 0.00 -0.52 0.00 0.00 55.73 54.67 1bwl s ARG 322 Cb -0.17 -2.27 -0.00 0.00 0.52 0.00 0.00 34.95 33.03 1bwl s ARG 322 CO 0.13 0.14 -0.21 0.00 0.02 0.00 0.00 175.30 175.39 1bwl s ALA 323 N 0.43 1.82 0.00 2.13 0.00 -0.85 0.46 121.76 125.74 1bwl s ALA 323 Ca -0.17 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1bwl s ALA 323 Cb -0.17 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1bwl s ALA 323 CO 0.07 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1bwl n GLY 324 N 3.14 0.34 3.74 0.00 0.00 -1.25 -0.11 105.19 111.04 1bwl n GLY 324 Ca -0.18 0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1bwl n GLY 324 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bwl n ASN 325 N 0.00 -1.81 -0.08 1.61 5.15 -1.26 -4.76 115.26 114.11 1bwl n ASN 325 Ca 0.00 -0.81 -0.12 0.00 -0.60 0.00 0.00 54.58 53.05 1bwl n ASN 325 Cb 0.00 -4.03 -0.15 0.00 -0.53 0.00 0.00 39.78 35.07 1bwl n ASN 325 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1bwl n PHE 326 N -4.35 0.37 -0.29 1.20 3.72 -1.26 -4.49 117.46 112.35 1bwl n PHE 326 Ca -0.24 0.11 0.12 0.00 -0.05 0.00 0.00 57.45 57.39 1bwl n PHE 326 Cb 0.65 -1.06 0.27 0.00 -0.94 0.00 0.00 39.48 38.40 1bwl n PHE 326 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bwl h ALA 327 N 0.73 1.24 -0.47 4.37 0.00 -1.92 -0.53 119.26 122.68 1bwl h ALA 327 Ca -0.48 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1bwl h ALA 327 Cb 2.11 0.27 0.00 0.00 0.00 0.00 0.00 17.79 20.17 1bwl h ALA 327 CO 0.03 -0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.14 1bwl n LEU 328 N -5.18 2.96 -3.19 0.00 4.77 -1.26 -4.43 117.00 110.66 1bwl n LEU 328 Ca 0.20 -1.49 -0.22 0.00 -0.03 0.00 0.00 56.01 54.47 1bwl n LEU 328 Cb 0.63 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 1bwl n LEU 328 CO 0.09 0.62 -0.25 1.41 -1.33 0.00 0.00 177.39 177.93 1bwl n HIS 329 N 0.82 0.09 0.03 -1.77 8.25 -0.21 -4.93 115.22 117.50 1bwl n HIS 329 Ca 0.17 -3.68 0.01 0.00 -0.26 0.00 0.00 57.72 53.96 1bwl n HIS 329 Cb 0.52 -0.39 0.35 0.00 1.12 0.00 0.00 29.99 31.59 1bwl n HIS 329 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1bwl h PRO 330 N 3.65 0.45 0.00 -0.41 0.13 -1.78 -0.80 132.00 133.25 1bwl h PRO 330 Ca 0.09 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1bwl h PRO 330 Cb 0.89 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 1bwl h PRO 330 CO 0.50 0.46 -0.11 1.05 -0.23 0.00 0.00 178.00 179.67 1bwl h GLU 331 N 0.44 0.00 0.00 0.86 9.09 -1.92 0.42 114.58 123.48 1bwl h GLU 331 Ca 0.10 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.51 1bwl h GLU 331 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1bwl h GLU 331 CO 0.00 0.11 -0.00 0.28 0.05 0.00 0.00 179.01 179.46 1bwl h VAL 332 N 0.00 1.68 -0.94 -1.06 2.07 -1.54 -3.27 116.25 113.18 1bwl h VAL 332 Ca -0.00 -2.09 0.12 0.00 0.82 0.00 0.00 66.70 65.54 1bwl h VAL 332 Cb 0.26 3.09 -0.07 0.00 -1.52 0.00 0.00 31.29 33.04 1bwl h VAL 332 CO 0.01 0.54 0.60 0.58 0.02 0.00 0.00 177.57 179.32 1bwl h VAL 333 N -0.91 0.92 -0.21 2.57 2.07 -1.00 -1.12 116.25 118.58 1bwl h VAL 333 Ca -0.00 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.27 1bwl h VAL 333 Cb 0.88 -0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 1bwl h VAL 333 CO 0.00 0.16 -0.29 -0.09 0.02 0.00 0.00 177.57 177.38 1bwl h ARG 334 N 0.89 -0.31 0.10 1.57 2.43 -1.02 0.15 114.38 118.20 1bwl h ARG 334 Ca 0.46 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.65 1bwl h ARG 334 Cb 0.52 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1bwl h ARG 334 CO -0.22 -0.20 -0.05 0.93 -1.51 0.00 0.00 179.97 178.92 1bwl h GLU 335 N -0.32 -0.13 -0.85 0.20 4.39 -1.37 -3.18 114.58 113.33 1bwl h GLU 335 Ca 0.12 0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.96 1bwl h GLU 335 Cb 0.51 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.10 1bwl h GLU 335 CO -0.39 0.08 0.46 0.93 -1.16 0.00 0.00 179.01 178.94 1bwl h GLU 336 N -0.33 0.67 0.00 2.33 4.39 -0.81 -1.72 114.58 119.12 1bwl h GLU 336 Ca -0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1bwl h GLU 336 Cb 0.27 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1bwl h GLU 336 CO 0.02 0.45 0.00 1.33 -1.16 0.00 0.00 179.01 179.65 1bwl n VAL 337 N -4.82 0.02 0.29 3.13 0.24 0.50 -3.16 118.33 114.53 1bwl n VAL 337 Ca 0.16 0.01 0.14 0.00 -2.04 0.00 0.00 64.34 62.61 1bwl n VAL 337 Cb 0.38 -0.51 0.89 0.00 -1.47 0.00 0.00 33.84 33.12 1bwl n VAL 337 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1bwl h LYS 338 N 0.00 0.00 -6.96 7.34 1.57 -1.28 -3.40 116.57 113.84 1bwl h LYS 338 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1bwl h LYS 338 Cb 0.37 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.75 1bwl h LYS 338 CO 0.00 0.00 0.56 0.34 -0.57 0.00 0.00 179.45 179.78 1bwl s ASP 339 N -6.24 6.31 0.43 0.86 2.15 -1.19 -4.95 116.67 114.04 1bwl s ASP 339 Ca -0.05 2.51 0.24 0.00 0.43 0.00 0.00 52.55 55.68 1bwl s ASP 339 Cb 0.15 -2.63 0.57 0.00 -0.30 0.00 0.00 42.92 40.72 1bwl s ASP 339 CO 0.56 -0.84 1.68 0.07 -0.17 0.00 0.00 175.17 176.48 1bwl h LYS 340 N 2.53 0.00 -1.14 4.34 2.10 -1.91 -3.36 116.57 119.13 1bwl h LYS 340 Ca -0.49 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 57.57 1bwl h LYS 340 Cb 1.25 0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 32.17 1bwl h LYS 340 CO 0.62 0.12 -0.57 2.89 -2.00 0.00 0.00 179.45 180.52 1bwl n ARG 341 N -3.16 3.44 -4.45 0.07 1.85 -1.26 -5.02 116.66 108.12 1bwl n ARG 341 Ca 0.02 -4.21 -0.29 0.00 -1.00 0.00 0.00 57.85 52.38 1bwl n ARG 341 Cb 0.51 -2.27 -0.17 0.00 -1.05 0.00 0.00 32.46 29.49 1bwl n ARG 341 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1bwl s THR 342 N -5.01 1.53 0.08 8.89 2.01 -1.26 -1.67 115.64 120.21 1bwl s THR 342 Ca 0.51 -0.66 0.05 0.00 0.31 0.00 0.00 61.69 61.90 1bwl s THR 342 Cb 0.41 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1bwl s THR 342 CO -0.08 0.45 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.53 1bwl s LEU 343 N 1.00 3.43 -0.19 4.42 1.02 -0.84 -4.85 118.68 122.66 1bwl s LEU 343 Ca -0.06 -0.18 -0.04 0.00 0.02 0.00 0.00 54.13 53.88 1bwl s LEU 343 Cb -0.15 -2.14 -0.02 0.00 0.02 0.00 0.00 46.19 43.91 1bwl s LEU 343 CO -0.02 0.19 -0.04 -0.63 0.02 0.00 0.00 176.35 175.87 1bwl s ILE 344 N -1.27 3.55 -0.28 -0.59 -1.09 -0.33 0.23 121.20 121.42 1bwl s ILE 344 Ca 0.25 -0.45 -0.15 0.00 -2.23 0.00 0.00 60.65 58.06 1bwl s ILE 344 Cb -0.12 -2.59 -0.03 0.00 -1.58 0.00 0.00 42.46 38.15 1bwl s ILE 344 CO 0.17 0.45 0.39 -0.83 -1.23 0.00 0.00 174.94 173.89 1bwl s GLY 345 N 1.03 1.88 -0.26 6.18 0.00 0.17 -0.34 107.32 115.98 1bwl s GLY 345 Ca 0.01 -0.85 -0.09 0.00 0.00 0.00 0.00 44.72 43.80 1bwl s GLY 345 CO 0.00 1.02 0.11 -0.19 0.00 0.00 0.00 173.10 174.05 1bwl s TYR 346 N 2.11 3.13 0.00 1.90 2.02 -0.63 -3.94 117.35 121.95 1bwl s TYR 346 Ca 0.15 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 1bwl s TYR 346 Cb -0.16 -2.29 0.00 0.00 -0.40 0.00 0.00 41.96 39.12 1bwl s TYR 346 CO 0.10 -0.28 0.00 0.41 -1.57 0.00 0.00 175.55 174.21 1bwl n GLY 347 N 4.96 -0.36 0.39 0.71 0.00 -1.26 -4.13 105.19 105.51 1bwl n GLY 347 Ca -0.15 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.08 1bwl n GLY 347 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bwl h ARG 348 N 0.00 0.00 -0.01 1.61 3.08 -1.99 0.15 114.38 117.22 1bwl h ARG 348 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bwl h ARG 348 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1bwl h ARG 348 CO 0.00 0.00 -0.04 1.19 -1.07 0.00 0.00 179.97 180.05 1bwl n PHE 349 N -4.36 0.00 1.01 3.04 3.72 -1.26 -3.11 117.46 116.50 1bwl n PHE 349 Ca 0.11 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.62 1bwl n PHE 349 Cb 0.65 -0.02 0.03 0.00 -0.94 0.00 0.00 39.48 39.20 1bwl n PHE 349 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1bwl n PHE 350 N -0.10 0.00 -0.06 1.38 -0.00 0.51 -2.58 117.46 116.61 1bwl n PHE 350 Ca 0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.54 1bwl n PHE 350 Cb 0.33 -0.09 -0.09 0.00 -0.00 0.00 0.00 39.48 39.63 1bwl n PHE 350 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 1bwl h ILE 351 N 0.17 1.19 0.00 -2.13 2.04 -1.46 -3.36 117.51 113.96 1bwl h ILE 351 Ca 0.00 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 63.99 1bwl h ILE 351 Cb 0.51 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 1bwl h ILE 351 CO 0.00 0.40 -0.03 0.77 0.00 0.00 0.00 178.15 179.29 1bwl h SER 352 N -0.99 0.00 -3.67 1.72 4.64 -1.71 -3.42 113.55 110.12 1bwl h SER 352 Ca -0.00 -0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.69 1bwl h SER 352 Cb 0.66 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.35 1bwl h SER 352 CO 0.00 0.00 -0.71 0.20 -0.87 0.00 0.00 176.83 175.45 1bwl s ASN 353 N -5.71 4.14 0.30 4.97 0.01 -1.06 -4.60 114.94 112.99 1bwl s ASN 353 Ca 0.08 -2.39 0.24 0.00 -0.71 0.00 0.00 52.86 50.08 1bwl s ASN 353 Cb 0.07 -1.27 1.07 0.00 0.41 0.00 0.00 41.25 41.53 1bwl s ASN 353 CO 0.65 -0.32 1.73 1.55 -1.51 0.00 0.00 177.10 179.21 1bwl h PRO 354 N 7.18 0.00 -0.44 -0.60 0.13 -1.81 -2.34 132.00 134.12 1bwl h PRO 354 Ca -0.06 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.78 1bwl h PRO 354 Cb 0.96 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.90 1bwl h PRO 354 CO 0.53 0.00 -0.32 -0.40 -0.23 0.00 0.00 178.00 177.59 1bwl n ASP 355 N -2.32 3.43 -0.11 1.44 5.75 -1.26 -4.34 116.55 119.14 1bwl n ASP 355 Ca 0.01 -3.81 -0.05 0.00 -0.01 0.00 0.00 54.79 50.93 1bwl n ASP 355 Cb 0.19 -0.56 0.02 0.00 -1.03 0.00 0.00 41.12 39.75 1bwl n ASP 355 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1bwl h LEU 356 N 1.43 -0.23 -0.52 -2.12 5.85 -1.74 -2.85 115.31 115.13 1bwl h LEU 356 Ca 0.25 0.10 0.08 0.00 0.84 0.00 0.00 57.88 59.15 1bwl h LEU 356 Cb 1.40 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 42.52 1bwl h LEU 356 CO 0.51 -0.07 -0.43 0.58 -0.34 0.00 0.00 178.44 178.69 1bwl h VAL 357 N 0.06 0.10 -0.58 1.05 2.07 -1.87 0.27 116.25 117.34 1bwl h VAL 357 Ca 0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 1bwl h VAL 357 Cb 0.27 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1bwl h VAL 357 CO -0.34 0.00 0.32 0.44 0.02 0.00 0.00 177.57 178.01 1bwl h ASP 358 N -0.26 0.70 0.07 0.57 3.32 -1.93 0.92 116.42 119.81 1bwl h ASP 358 Ca 0.17 -0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 1bwl h ASP 358 Cb 0.57 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1bwl h ASP 358 CO -0.65 0.56 -0.35 0.03 -1.72 0.00 0.00 179.24 177.12 1bwl h ARG 359 N 0.80 0.39 -0.29 3.56 3.08 -0.77 -1.31 114.38 119.84 1bwl h ARG 359 Ca 0.21 -0.17 -0.18 0.00 0.07 0.00 0.00 59.98 59.90 1bwl h ARG 359 Cb 0.01 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1bwl h ARG 359 CO -0.03 0.69 -0.53 -0.07 -1.07 0.00 0.00 179.97 178.95 1bwl h LEU 360 N 0.33 0.96 -0.17 3.04 4.07 0.53 0.49 115.31 124.57 1bwl h LEU 360 Ca 0.04 -0.51 -0.02 0.00 0.08 0.00 0.00 57.88 57.47 1bwl h LEU 360 Cb 0.77 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 1bwl h LEU 360 CO 0.06 1.30 0.02 -0.08 -1.08 0.00 0.00 178.44 178.67 1bwl h GLU 361 N 0.67 0.28 -0.20 1.13 4.81 -0.65 0.17 114.58 120.78 1bwl h GLU 361 Ca 0.02 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1bwl h GLU 361 Cb 1.14 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1bwl h GLU 361 CO 0.12 0.46 0.00 1.63 -0.73 0.00 0.00 179.01 180.49 1bwl n LYS 362 N -4.77 1.95 -3.68 1.92 5.02 -0.51 -2.03 118.16 116.05 1bwl n LYS 362 Ca -0.05 -1.42 -0.24 0.00 -2.02 0.00 0.00 58.31 54.57 1bwl n LYS 362 Cb 0.19 -1.43 0.06 0.00 -0.02 0.00 0.00 35.03 33.82 1bwl n LYS 362 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bwl n GLY 363 N 1.24 -0.47 3.90 0.72 0.00 -0.04 -4.56 105.19 105.98 1bwl n GLY 363 Ca 0.17 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 1bwl n GLY 363 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bwl s LEU 364 N -7.08 4.17 0.60 0.99 1.43 -0.05 -4.51 118.68 114.23 1bwl s LEU 364 Ca 0.45 0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 54.02 1bwl s LEU 364 Cb -0.21 -3.42 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 1bwl s LEU 364 CO 0.77 -0.07 0.83 -0.81 0.23 0.00 0.00 176.35 177.30 1bwl n PRO 365 N -0.43 0.74 -3.96 1.29 -0.04 -1.26 -4.76 135.00 126.58 1bwl n PRO 365 Ca -0.02 0.29 -0.28 0.00 -0.04 0.00 0.00 63.50 63.46 1bwl n PRO 365 Cb 0.53 -2.03 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 1bwl n PRO 365 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bwl s LEU 366 N -1.30 4.26 -0.06 1.53 1.02 -1.26 -5.00 118.68 117.87 1bwl s LEU 366 Ca 0.74 0.16 -0.22 0.00 0.02 0.00 0.00 54.13 54.82 1bwl s LEU 366 Cb -0.42 -2.85 -0.04 0.00 0.02 0.00 0.00 46.19 42.91 1bwl s LEU 366 CO 0.49 0.09 0.66 0.20 0.02 0.00 0.00 176.35 177.81 1bwl s ASN 367 N -2.97 6.95 0.36 2.29 0.01 -1.26 -1.17 114.94 119.15 1bwl s ASN 367 Ca 0.34 1.14 -0.28 0.00 -0.71 0.00 0.00 52.86 53.35 1bwl s ASN 367 Cb -0.12 -2.39 -0.10 0.00 0.41 0.00 0.00 41.25 39.05 1bwl s ASN 367 CO 0.27 -0.07 1.40 -0.54 -1.51 0.00 0.00 177.10 176.65 1bwl s LYS 368 N 0.64 4.18 0.10 -0.60 1.02 0.30 -4.77 119.74 120.61 1bwl s LYS 368 Ca 0.35 2.40 -0.07 0.00 0.02 0.00 0.00 55.97 58.67 1bwl s LYS 368 Cb -0.17 -2.98 -0.06 0.00 -0.52 0.00 0.00 37.83 34.10 1bwl s LYS 368 CO 0.17 -0.41 0.38 1.52 -0.92 0.00 0.00 175.35 176.09 1bwl s TYR 369 N -1.14 3.54 -0.53 3.18 -0.85 -1.26 -4.80 117.35 115.48 1bwl s TYR 369 Ca 0.52 0.67 -0.17 0.00 -0.52 0.00 0.00 57.07 57.57 1bwl s TYR 369 Cb -0.43 -2.08 0.11 0.00 0.38 0.00 0.00 41.96 39.94 1bwl s TYR 369 CO 0.58 0.49 0.52 0.34 -1.52 0.00 0.00 175.55 175.96 1bwl s ASP 370 N -2.03 6.18 0.57 -0.18 2.15 -1.26 -4.92 116.67 117.18 1bwl s ASP 370 Ca 0.36 -1.57 0.29 0.00 0.43 0.00 0.00 52.55 52.05 1bwl s ASP 370 Cb -0.13 -2.23 1.47 0.00 -0.30 0.00 0.00 42.92 41.73 1bwl s ASP 370 CO 0.20 -0.86 1.91 0.08 -0.17 0.00 0.00 175.17 176.33 1bwl h ARG 371 N 8.92 0.00 0.00 4.34 -0.00 -2.01 -2.38 114.38 123.25 1bwl h ARG 371 Ca -0.29 0.00 -0.10 0.00 -0.00 0.00 0.00 59.98 59.59 1bwl h ARG 371 Cb 1.10 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.06 1bwl h ARG 371 CO 1.01 0.00 -0.47 -0.44 -0.00 0.00 0.00 179.97 180.08 1bwl h ASP 372 N 0.00 0.00 -0.18 0.08 3.32 -2.01 -3.24 116.42 114.39 1bwl h ASP 372 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1bwl h ASP 372 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1bwl h ASP 372 CO -0.00 0.47 0.00 0.35 -1.72 0.00 0.00 179.24 178.33 1bwl n THR 373 N -3.56 0.21 -0.24 0.35 -2.24 -0.90 -4.45 114.28 103.45 1bwl n THR 373 Ca -0.00 -0.55 0.02 0.00 -2.27 0.00 0.00 64.05 61.24 1bwl n THR 373 Cb 0.57 1.09 0.10 0.00 -2.10 0.00 0.00 70.33 69.99 1bwl n THR 373 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1bwl h PHE 374 N 4.14 -0.29 -1.99 4.78 -1.00 -1.64 -2.75 116.94 118.20 1bwl h PHE 374 Ca 0.00 0.06 -0.61 0.00 2.81 0.00 0.00 57.97 60.23 1bwl h PHE 374 Cb 0.89 0.24 -0.41 0.00 3.61 0.00 0.00 35.95 40.29 1bwl h PHE 374 CO 0.10 -0.28 -0.53 0.66 -1.61 0.00 0.00 178.31 176.65 1bwl n TYR 375 N -5.44 3.72 -4.53 -0.55 4.01 -1.26 -4.42 117.16 108.70 1bwl n TYR 375 Ca 0.10 -3.54 -0.30 0.00 -0.16 0.00 0.00 57.90 54.00 1bwl n TYR 375 Cb 0.39 -0.40 -0.12 0.00 -0.31 0.00 0.00 39.34 38.90 1bwl n TYR 375 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1bwl s GLN 376 N -3.57 1.89 -0.97 -0.72 -1.52 -1.04 -4.94 119.66 108.79 1bwl s GLN 376 Ca 0.48 -1.09 -0.18 0.00 -1.95 0.00 0.00 55.36 52.62 1bwl s GLN 376 Cb 0.33 -2.12 0.14 0.00 -0.22 0.00 0.00 33.01 31.14 1bwl s GLN 376 CO -0.17 0.51 1.17 1.41 -0.25 0.00 0.00 175.29 177.96 1bwl s MET 377 N -1.72 3.68 0.15 2.91 -2.45 -1.26 -4.65 119.30 115.96 1bwl s MET 377 Ca 0.15 -1.92 -0.25 0.00 -1.25 0.00 0.00 55.69 52.43 1bwl s MET 377 Cb -0.10 -4.93 0.06 0.00 1.25 0.00 0.00 34.83 31.11 1bwl s MET 377 CO 0.07 -1.76 0.89 -1.54 1.05 0.00 0.00 175.02 173.73 1bwl s SER 378 N 3.46 -0.24 -0.06 1.11 1.04 -1.26 -5.01 113.70 112.73 1bwl s SER 378 Ca 0.34 -0.35 0.18 0.00 0.48 0.00 0.00 55.95 56.60 1bwl s SER 378 Cb -0.05 0.52 -0.23 0.00 0.10 0.00 0.00 66.02 66.36 1bwl s SER 378 CO -0.08 -0.93 0.45 0.00 0.98 0.00 0.00 173.24 173.65 1bwl n ALA 379 N -0.43 1.95 -1.85 5.32 0.00 -1.26 -4.70 120.51 119.54 1bwl n ALA 379 Ca -0.07 -0.85 -0.41 0.00 0.00 0.00 0.00 53.44 52.11 1bwl n ALA 379 Cb 0.61 -0.61 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1bwl n ALA 379 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1bwl s HIS 380 N -2.88 3.06 -0.14 0.00 5.65 -1.26 -0.65 115.29 119.07 1bwl s HIS 380 Ca -0.07 1.21 0.00 0.00 0.25 0.00 0.00 55.06 56.45 1bwl s HIS 380 Cb 0.09 -3.74 0.00 0.00 -1.18 0.00 0.00 32.58 27.75 1bwl s HIS 380 CO 0.84 -2.24 0.00 0.41 -0.65 0.00 0.00 174.74 173.10 1bwl n GLY 381 N 1.66 0.43 1.05 1.59 0.00 -1.26 -4.81 105.19 103.84 1bwl n GLY 381 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1bwl n GLY 381 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bwl n TYR 382 N -2.65 0.00 0.15 1.61 9.36 0.18 -4.72 117.16 121.09 1bwl n TYR 382 Ca -0.01 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.26 1bwl n TYR 382 Cb 0.20 0.05 0.10 0.00 -0.63 0.00 0.00 39.34 39.06 1bwl n TYR 382 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52 1bwl n ILE 383 N -2.41 0.49 -0.44 2.97 -5.35 -0.39 -4.62 119.36 109.61 1bwl n ILE 383 Ca 0.00 -0.75 0.09 0.00 -0.27 0.00 0.00 62.75 61.83 1bwl n ILE 383 Cb 0.00 0.87 0.29 0.00 -1.74 0.00 0.00 39.64 39.06 1bwl n ILE 383 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1bwl n ASP 384 N 0.60 3.94 -4.75 7.28 5.75 -1.24 -4.94 116.55 123.19 1bwl n ASP 384 Ca 0.09 -2.20 -0.41 0.00 -0.01 0.00 0.00 54.79 52.27 1bwl n ASP 384 Cb 0.36 -0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 39.96 1bwl n ASP 384 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1bwl s TYR 385 N -1.37 3.36 0.39 2.11 2.02 -1.26 -4.94 117.35 117.67 1bwl s TYR 385 Ca 0.43 1.47 -0.05 0.00 -0.37 0.00 0.00 57.07 58.55 1bwl s TYR 385 Cb 0.25 -3.47 -0.05 0.00 -0.40 0.00 0.00 41.96 38.29 1bwl s TYR 385 CO 0.25 -1.25 0.68 -1.25 -1.57 0.00 0.00 175.55 172.40 1bwl s PRO 386 N -0.93 3.61 0.94 -1.71 0.04 -1.26 -4.85 135.00 130.84 1bwl s PRO 386 Ca 0.50 0.13 -0.15 0.00 0.04 0.00 0.00 61.00 61.52 1bwl s PRO 386 Cb -0.35 -2.50 0.17 0.00 0.04 0.00 0.00 34.50 31.86 1bwl s PRO 386 CO 0.42 0.01 1.22 0.95 0.04 0.00 0.00 177.00 179.64 1bwl s THR 387 N -2.41 1.95 0.16 1.26 -4.23 -1.26 -4.74 115.64 106.37 1bwl s THR 387 Ca 0.46 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.81 1bwl s THR 387 Cb -0.10 -2.89 0.07 0.00 1.34 0.00 0.00 72.50 70.92 1bwl s THR 387 CO 0.36 0.00 1.69 0.22 -0.54 0.00 0.00 174.62 176.35 1bwl h TYR 388 N -1.58 -0.07 -0.41 3.99 3.20 -1.95 -1.56 116.97 118.60 1bwl h TYR 388 Ca -0.46 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.52 1bwl h TYR 388 Cb 1.29 0.09 -0.09 0.00 1.54 0.00 0.00 36.73 39.56 1bwl h TYR 388 CO -0.59 -0.10 -0.22 0.93 -1.64 0.00 0.00 178.16 176.54 1bwl h GLU 389 N 0.07 -0.14 -0.50 1.82 4.39 -1.99 -1.47 114.58 116.76 1bwl h GLU 389 Ca 0.18 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.84 1bwl h GLU 389 Cb 0.27 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1bwl h GLU 389 CO -0.33 -0.09 0.10 0.93 -1.16 0.00 0.00 179.01 178.46 1bwl h GLU 390 N -0.14 0.77 -0.05 2.33 5.08 -1.81 -0.81 114.58 119.95 1bwl h GLU 390 Ca 0.20 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1bwl h GLU 390 Cb 0.45 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1bwl h GLU 390 CO -0.50 0.71 -0.34 0.00 -1.00 0.00 0.00 179.01 177.88 1bwl h ALA 391 N 1.37 1.35 -0.14 3.43 0.00 -0.66 0.21 119.26 124.83 1bwl h ALA 391 Ca 0.16 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 1bwl h ALA 391 Cb 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1bwl h ALA 391 CO 0.00 0.47 -0.69 -0.07 0.00 0.00 0.00 179.25 178.96 1bwl h LEU 392 N 0.08 0.71 -0.78 0.00 3.38 -0.67 0.21 115.31 118.25 1bwl h LEU 392 Ca 0.01 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 1bwl h LEU 392 Cb 0.64 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1bwl h LEU 392 CO 0.05 1.20 -0.46 0.11 0.09 0.00 0.00 178.44 179.43 1bwl h LYS 393 N 0.43 0.00 0.00 1.13 1.57 -0.56 -2.54 116.57 116.60 1bwl h LYS 393 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1bwl h LYS 393 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1bwl h LYS 393 CO 0.13 0.46 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.13 1bwl h LEU 394 N 0.00 0.00 -1.47 2.94 3.38 -0.28 -3.48 115.31 116.40 1bwl h LEU 394 Ca -0.00 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1bwl h LEU 394 Cb 1.02 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.80 1bwl h LEU 394 CO 0.06 0.00 -0.14 0.61 0.09 0.00 0.00 178.44 179.06 1bwl n GLY 395 N 1.13 0.47 2.15 0.83 0.00 0.52 -4.86 105.19 105.43 1bwl n GLY 395 Ca 0.03 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 1bwl n GLY 395 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1bwl n TRP 396 N -2.26 0.11 -2.61 1.61 7.02 0.08 -4.39 117.44 117.01 1bwl n TRP 396 Ca -0.03 -1.20 -0.02 0.00 -1.02 0.00 0.00 57.50 55.24 1bwl n TRP 396 Cb 0.52 -1.34 0.00 0.00 -2.42 0.00 0.00 31.31 28.08 1bwl n TRP 396 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1bwl n ASP 397 N 2.71 -7.38 0.00 -0.99 8.00 -1.26 -4.56 116.55 113.08 1bwl n ASP 397 Ca 0.34 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.95 1bwl n ASP 397 Cb 0.65 -4.90 0.00 0.00 -0.02 0.00 0.00 41.12 36.86 1bwl n ASP 397 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1bwl n LYS 398 N 0.42 0.00 0.00 -1.24 0.00 -1.26 -5.07 118.16 111.01 1bwl n LYS 398 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 58.31 58.47 1bwl n LYS 398 Cb 0.09 0.00 0.47 0.00 0.00 0.00 0.00 35.03 35.59 1bwl n LYS 398 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83