#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bdj s ASP 3 N 0.00 6.09 0.21 0.00 -1.08 -1.25 -4.97 116.67 115.66 1bdj s ASP 3 Ca 0.00 2.16 0.17 0.00 -0.52 0.00 0.00 52.55 54.35 1bdj s ASP 3 Cb 0.00 -2.58 0.01 0.00 -1.46 0.00 0.00 42.92 38.88 1bdj s ASP 3 CO 0.00 -0.97 1.21 0.11 0.52 0.00 0.00 175.17 176.04 1bdj h LYS 4 N 1.67 0.00 -0.00 4.34 1.79 -1.98 -3.31 116.57 119.08 1bdj h LYS 4 Ca -0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 1bdj h LYS 4 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1bdj h LYS 4 CO 0.59 0.36 -0.02 0.39 -1.08 0.00 0.00 179.45 179.68 1bdj n GLU 5 N -3.06 1.07 -1.63 3.15 -0.58 -1.26 -4.20 120.64 114.13 1bdj n GLU 5 Ca -0.02 -0.28 -0.50 0.00 -0.42 0.00 0.00 57.16 55.94 1bdj n GLU 5 Cb 0.74 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 30.07 1bdj n GLU 5 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1bdj n LEU 6 N -0.72 2.29 -4.70 -4.62 7.94 -1.25 -4.85 117.00 111.09 1bdj n LEU 6 Ca 0.20 1.10 -0.39 0.00 -1.11 0.00 0.00 56.01 55.82 1bdj n LEU 6 Cb 0.21 -1.29 -0.06 0.00 0.53 0.00 0.00 43.42 42.81 1bdj n LEU 6 CO 0.19 -0.70 0.24 -0.75 -1.11 0.00 0.00 177.39 175.26 1bdj s LYS 7 N 0.84 4.32 0.22 1.96 2.20 -1.26 -4.46 119.74 123.56 1bdj s LYS 7 Ca 0.83 0.54 0.09 0.00 -0.36 0.00 0.00 55.97 57.06 1bdj s LYS 7 Cb -0.84 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 31.96 1bdj s LYS 7 CO 0.44 0.05 -0.04 -0.06 -0.36 0.00 0.00 175.35 175.38 1bdj s PHE 8 N 0.95 2.69 -0.08 4.03 0.40 -0.83 -0.79 117.98 124.34 1bdj s PHE 8 Ca 0.28 -0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.39 1bdj s PHE 8 Cb -0.16 -1.26 0.03 0.00 0.51 0.00 0.00 43.02 42.14 1bdj s PHE 8 CO 0.12 0.56 -0.00 -1.17 0.70 0.00 0.00 175.22 175.42 1bdj s LEU 9 N -3.21 0.68 -0.42 -0.37 2.96 -0.81 -1.62 118.68 115.89 1bdj s LEU 9 Ca 0.28 -0.15 -0.14 0.00 -0.22 0.00 0.00 54.13 53.90 1bdj s LEU 9 Cb -0.08 -0.49 0.03 0.00 0.50 0.00 0.00 46.19 46.16 1bdj s LEU 9 CO 0.18 -0.19 0.30 -0.69 -1.32 0.00 0.00 176.35 174.63 1bdj s VAL 10 N 1.94 5.10 -0.40 1.68 1.01 0.37 -2.05 120.40 128.05 1bdj s VAL 10 Ca 0.05 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 1bdj s VAL 10 Cb -0.13 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.37 1bdj s VAL 10 CO -0.06 -0.36 0.39 -0.69 0.00 0.00 0.00 175.10 174.38 1bdj s VAL 11 N 1.64 5.14 -0.28 2.92 1.01 0.19 -0.35 120.40 130.66 1bdj s VAL 11 Ca 0.04 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 1bdj s VAL 11 Cb -0.20 -3.96 0.10 0.00 0.00 0.00 0.00 36.38 32.32 1bdj s VAL 11 CO 0.08 -0.31 0.78 -0.62 0.00 0.00 0.00 175.10 175.04 1bdj s ASP 12 N 1.77 -0.81 0.00 3.32 2.15 -0.56 -1.61 116.67 120.93 1bdj s ASP 12 Ca 0.11 1.29 0.00 0.00 0.43 0.00 0.00 52.55 54.37 1bdj s ASP 12 Cb -0.17 1.34 0.00 0.00 -0.30 0.00 0.00 42.92 43.78 1bdj s ASP 12 CO 0.12 -0.20 0.00 -0.90 -0.17 0.00 0.00 175.17 174.02 1bdj n ASP 13 N 4.13 0.00 -3.10 -0.34 5.68 -1.08 -4.09 116.55 117.75 1bdj n ASP 13 Ca -0.19 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 53.90 1bdj n ASP 13 Cb 0.58 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.52 1bdj n ASP 13 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1bdj n PHE 14 N 0.00 -1.22 -3.83 2.11 3.72 -1.26 -4.75 117.46 112.23 1bdj n PHE 14 Ca 0.00 -3.05 0.00 0.00 -0.05 0.00 0.00 57.45 54.35 1bdj n PHE 14 Cb 0.00 0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 1bdj n PHE 14 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1bdj n SER 15 N 1.66 1.42 0.03 4.37 3.41 -1.26 -5.03 113.62 118.22 1bdj n SER 15 Ca 0.19 -0.83 0.10 0.00 -0.26 0.00 0.00 58.87 58.07 1bdj n SER 15 Cb 0.55 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.93 1bdj n SER 15 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1bdj n THR 16 N 0.00 0.68 -0.32 6.66 -2.24 -1.26 -3.68 114.28 114.12 1bdj n THR 16 Ca 0.00 0.14 -0.01 0.00 -2.27 0.00 0.00 64.05 61.91 1bdj n THR 16 Cb 0.00 -0.86 0.12 0.00 -2.10 0.00 0.00 70.33 67.49 1bdj n THR 16 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 1bdj h MET 17 N 0.00 1.05 -0.15 -0.78 1.85 -1.99 -1.85 114.93 113.06 1bdj h MET 17 Ca 0.00 -0.06 -0.04 0.00 -0.61 0.00 0.00 59.70 58.98 1bdj h MET 17 Cb 0.38 -0.24 -0.00 0.00 0.43 0.00 0.00 31.60 32.17 1bdj h MET 17 CO 0.00 0.69 -0.07 0.07 -0.40 0.00 0.00 176.91 177.20 1bdj h ARG 18 N 1.08 0.32 -0.73 0.39 0.11 -1.94 0.12 114.38 113.73 1bdj h ARG 18 Ca 0.36 -0.14 -0.06 0.00 0.10 0.00 0.00 59.98 60.24 1bdj h ARG 18 Cb 0.05 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.09 1bdj h ARG 18 CO -0.13 0.64 0.23 0.00 0.10 0.00 0.00 179.97 180.81 1bdj h ARG 19 N -0.01 1.13 0.75 0.08 2.47 -1.75 -0.31 114.38 116.74 1bdj h ARG 19 Ca 0.03 -0.24 -0.04 0.00 -1.26 0.00 0.00 59.98 58.48 1bdj h ARG 19 Cb 0.55 -0.17 0.01 0.00 -1.65 0.00 0.00 29.97 28.71 1bdj h ARG 19 CO 0.02 0.96 -0.36 0.82 0.56 0.00 0.00 179.97 181.98 1bdj h ILE 20 N 1.09 0.00 -0.74 2.04 2.04 -1.26 -2.67 117.51 118.00 1bdj h ILE 20 Ca 0.24 -0.22 0.04 0.00 1.00 0.00 0.00 64.86 65.92 1bdj h ILE 20 Cb 0.30 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.33 1bdj h ILE 20 CO -0.01 0.00 0.46 0.58 0.00 0.00 0.00 178.15 179.18 1bdj h VAL 21 N -1.22 1.06 -0.98 1.67 2.07 -0.95 -0.96 116.25 116.94 1bdj h VAL 21 Ca -0.10 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1bdj h VAL 21 Cb 0.77 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 1bdj h VAL 21 CO 0.17 0.16 0.63 -0.09 0.02 0.00 0.00 177.57 178.45 1bdj h ARG 22 N 0.87 1.31 -0.11 1.57 2.43 -1.13 -1.77 114.38 117.54 1bdj h ARG 22 Ca 0.31 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1bdj h ARG 22 Cb 0.09 -0.29 -0.00 0.00 -0.42 0.00 0.00 29.97 29.35 1bdj h ARG 22 CO -0.14 0.89 -0.03 -0.91 -1.51 0.00 0.00 179.97 178.27 1bdj h ASN 23 N 1.34 0.22 0.23 -3.80 2.35 -1.01 -2.15 115.58 112.76 1bdj h ASN 23 Ca 0.36 -0.37 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1bdj h ASN 23 Cb -0.12 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1bdj h ASN 23 CO -0.07 0.54 -0.11 -0.07 -1.65 0.00 0.00 177.43 176.06 1bdj h LEU 24 N -0.11 0.00 -0.14 1.61 4.07 -1.03 -1.96 115.31 117.75 1bdj h LEU 24 Ca 0.03 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.75 1bdj h LEU 24 Cb 0.44 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.19 1bdj h LEU 24 CO 0.01 0.11 -0.97 -0.07 -1.08 0.00 0.00 178.44 176.44 1bdj h LEU 25 N 0.00 0.59 -1.51 1.67 3.38 -1.12 -2.65 115.31 115.67 1bdj h LEU 25 Ca -0.00 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 1bdj h LEU 25 Cb 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1bdj h LEU 25 CO 0.01 1.28 -0.25 0.11 0.09 0.00 0.00 178.44 179.68 1bdj h LYS 26 N 0.25 0.00 -0.09 1.13 6.56 -0.70 -1.30 116.57 122.41 1bdj h LYS 26 Ca -0.09 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.30 1bdj h LYS 26 Cb 1.61 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 33.28 1bdj h LYS 26 CO 0.17 0.25 -0.72 1.49 -2.06 0.00 0.00 179.45 178.58 1bdj h GLU 27 N 0.00 0.65 0.00 3.15 4.81 -1.32 -3.09 114.58 118.78 1bdj h GLU 27 Ca -0.00 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 1bdj h GLU 27 Cb 0.46 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1bdj h GLU 27 CO 0.03 1.19 0.00 1.28 -0.73 0.00 0.00 179.01 180.78 1bdj n LEU 28 N -4.05 0.00 0.00 1.64 4.32 -1.01 -4.86 117.00 113.04 1bdj n LEU 28 Ca -0.09 0.14 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 1bdj n LEU 28 Cb 0.72 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 1bdj n LEU 28 CO 0.51 -0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.23 1bdj n GLY 29 N 0.33 2.85 3.64 -0.72 0.00 -1.09 -5.04 105.19 105.16 1bdj n GLY 29 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1bdj n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bdj s PHE 30 N -2.50 3.03 -0.46 1.61 0.08 -0.52 -4.91 117.98 114.31 1bdj s PHE 30 Ca 0.00 1.13 0.10 0.00 0.12 0.00 0.00 56.93 58.28 1bdj s PHE 30 Cb 0.00 -3.66 -0.11 0.00 -0.57 0.00 0.00 43.02 38.68 1bdj s PHE 30 CO 0.00 -1.06 0.42 0.09 -0.10 0.00 0.00 175.22 174.57 1bdj n ASN 31 N 6.94 0.50 -4.44 1.36 3.02 -1.26 -3.22 115.26 118.16 1bdj n ASN 31 Ca 0.13 -0.72 -0.44 0.00 -0.03 0.00 0.00 54.58 53.51 1bdj n ASN 31 Cb 0.47 1.01 -0.02 0.00 -0.61 0.00 0.00 39.78 40.62 1bdj n ASN 31 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1bdj s ASN 32 N -1.95 6.70 -0.09 6.41 3.84 -1.26 -4.97 114.94 123.61 1bdj s ASN 32 Ca 0.04 -2.22 -0.02 0.00 0.21 0.00 0.00 52.86 50.86 1bdj s ASN 32 Cb 0.07 -2.38 0.03 0.00 -0.55 0.00 0.00 41.25 38.43 1bdj s ASN 32 CO 0.41 -0.98 0.02 -0.69 -2.79 0.00 0.00 177.10 173.07 1bdj s VAL 33 N 2.30 0.31 0.09 -5.21 1.01 -1.26 -1.97 120.40 115.68 1bdj s VAL 33 Ca 0.33 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.40 1bdj s VAL 33 Cb -0.05 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1bdj s VAL 33 CO -0.08 0.15 -0.03 -1.61 0.00 0.00 0.00 175.10 173.52 1bdj s GLU 34 N 1.99 2.43 0.23 2.72 2.02 -0.64 -5.00 118.70 122.46 1bdj s GLU 34 Ca 0.04 -0.88 0.10 0.00 0.02 0.00 0.00 54.97 54.24 1bdj s GLU 34 Cb -0.13 -2.48 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 1bdj s GLU 34 CO -0.06 0.53 -0.10 -1.21 0.02 0.00 0.00 175.26 174.45 1bdj s GLU 35 N -2.25 2.02 0.11 1.61 2.02 -1.26 -0.48 118.70 120.47 1bdj s GLU 35 Ca 0.24 -1.43 0.01 0.00 0.02 0.00 0.00 54.97 53.81 1bdj s GLU 35 Cb -0.11 -2.06 -0.04 0.00 0.10 0.00 0.00 34.13 32.01 1bdj s GLU 35 CO 0.17 0.39 -0.03 0.00 0.02 0.00 0.00 175.26 175.80 1bdj s ALA 36 N -2.04 0.97 -0.09 5.21 0.00 0.52 -4.87 121.76 121.46 1bdj s ALA 36 Ca 0.27 -1.39 0.21 0.00 0.00 0.00 0.00 51.96 51.06 1bdj s ALA 36 Cb -0.07 0.32 -0.26 0.00 0.00 0.00 0.00 23.12 23.11 1bdj s ALA 36 CO 0.16 -0.30 0.55 0.39 0.00 0.00 0.00 175.76 176.56 1bdj n GLU 37 N -0.06 0.65 -3.83 0.00 1.02 -1.26 -1.49 120.64 115.66 1bdj n GLU 37 Ca -0.11 -0.10 -0.02 0.00 -0.02 0.00 0.00 57.16 56.92 1bdj n GLU 37 Cb 0.62 -1.59 0.01 0.00 -0.02 0.00 0.00 31.44 30.45 1bdj n GLU 37 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1bdj s ASP 38 N -4.85 -0.04 0.30 1.62 1.47 -1.26 -2.65 116.67 111.25 1bdj s ASP 38 Ca -0.07 -0.47 0.05 0.00 1.18 0.00 0.00 52.55 53.24 1bdj s ASP 38 Cb 0.12 0.40 0.70 0.00 -0.34 0.00 0.00 42.92 43.79 1bdj s ASP 38 CO 0.87 -0.77 1.78 1.23 0.68 0.00 0.00 175.17 178.96 1bdj h GLY 39 N 2.00 1.73 0.00 2.12 0.00 -1.72 -0.48 103.07 106.72 1bdj h GLY 39 Ca -0.26 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1bdj h GLY 39 CO 0.32 -0.04 0.00 -0.62 0.00 0.00 0.00 176.54 176.20 1bdj n VAL 40 N -4.77 0.00 -0.31 4.60 0.31 -1.26 -0.95 118.33 115.94 1bdj n VAL 40 Ca 0.22 1.43 0.12 0.00 -0.01 0.00 0.00 64.34 66.10 1bdj n VAL 40 Cb 0.54 -2.43 0.25 0.00 -0.91 0.00 0.00 33.84 31.29 1bdj n VAL 40 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1bdj h ASP 41 N 0.00 -0.39 0.39 4.52 3.58 -1.92 0.21 116.42 122.81 1bdj h ASP 41 Ca 0.00 0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.69 1bdj h ASP 41 Cb 0.00 0.42 -0.03 0.00 1.72 0.00 0.00 39.33 41.44 1bdj h ASP 41 CO 0.00 -0.28 -0.46 0.00 -2.88 0.00 0.00 179.24 175.62 1bdj h ALA 42 N 1.88 -0.99 -0.92 -0.78 0.00 -1.00 -1.25 119.26 116.19 1bdj h ALA 42 Ca 0.54 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 55.49 1bdj h ALA 42 Cb 1.06 0.69 -0.11 0.00 0.00 0.00 0.00 17.79 19.43 1bdj h ALA 42 CO -0.82 -1.10 0.48 -0.07 0.00 0.00 0.00 179.25 177.74 1bdj h LEU 43 N -0.88 0.53 0.82 0.00 3.38 0.87 0.17 115.31 120.20 1bdj h LEU 43 Ca -0.04 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1bdj h LEU 43 Cb 0.80 0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.60 1bdj h LEU 43 CO -0.11 0.13 -0.39 0.78 0.09 0.00 0.00 178.44 178.94 1bdj h ASN 44 N 0.56 -0.93 -0.95 -0.43 -0.26 -1.01 -2.00 115.58 110.56 1bdj h ASN 44 Ca 0.55 0.03 0.16 0.00 -0.56 0.00 0.00 56.30 56.48 1bdj h ASN 44 Cb 0.95 0.24 -0.08 0.00 -1.06 0.00 0.00 38.32 38.36 1bdj h ASN 44 CO -0.44 -0.65 0.60 0.11 -1.06 0.00 0.00 177.43 175.99 1bdj h LYS 45 N -1.12 0.73 0.00 0.81 1.57 0.01 0.09 116.57 118.65 1bdj h LYS 45 Ca -0.11 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 1bdj h LYS 45 Cb 0.85 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1bdj h LYS 45 CO 0.18 0.48 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.22 1bdj h LEU 46 N 0.75 0.00 -2.00 2.94 3.38 -0.44 -2.51 115.31 117.43 1bdj h LEU 46 Ca 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.45 1bdj h LEU 46 Cb 0.78 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1bdj h LEU 46 CO -0.27 0.25 -0.08 1.56 0.09 0.00 0.00 178.44 180.00 1bdj h GLN 47 N 0.00 0.00 0.00 1.13 1.08 -0.22 -0.68 115.11 116.42 1bdj h GLN 47 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1bdj h GLN 47 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1bdj h GLN 47 CO 0.03 0.08 0.00 0.00 -0.95 0.00 0.00 178.83 177.99 1bdj h ALA 48 N 1.92 1.00 -0.94 3.87 0.00 -1.51 -3.48 119.26 120.12 1bdj h ALA 48 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1bdj h ALA 48 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1bdj h ALA 48 CO 0.01 0.00 -0.18 0.41 0.00 0.00 0.00 179.25 179.49 1bdj n GLY 49 N -0.68 -1.60 1.03 0.00 0.00 -0.26 -4.96 105.19 98.72 1bdj n GLY 49 Ca -0.01 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1bdj n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bdj n GLY 50 N -2.17 3.13 3.77 -0.02 0.00 -1.26 -4.98 105.19 103.66 1bdj n GLY 50 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1bdj n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bdj s TYR 51 N -2.36 2.99 0.00 1.61 2.02 -1.26 -4.41 117.35 115.94 1bdj s TYR 51 Ca 0.00 1.46 0.00 0.00 -0.37 0.00 0.00 57.07 58.16 1bdj s TYR 51 Cb 0.00 -3.60 0.00 0.00 -0.40 0.00 0.00 41.96 37.96 1bdj s TYR 51 CO 0.00 -1.78 0.27 0.41 -1.57 0.00 0.00 175.55 172.88 1bdj n GLY 52 N 0.74 -0.35 3.62 0.71 0.00 0.03 -4.94 105.19 105.00 1bdj n GLY 52 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1bdj n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1bdj s PHE 53 N -0.05 -0.94 -0.07 1.61 2.19 -0.83 -4.45 117.98 115.44 1bdj s PHE 53 Ca 0.00 2.03 0.05 0.00 0.33 0.00 0.00 56.93 59.34 1bdj s PHE 53 Cb 0.00 0.48 -0.01 0.00 -1.31 0.00 0.00 43.02 42.18 1bdj s PHE 53 CO 0.00 -0.46 -0.24 0.08 1.83 0.00 0.00 175.22 176.42 1bdj s VAL 54 N 1.12 2.03 -0.11 3.12 1.01 0.07 -1.92 120.40 125.72 1bdj s VAL 54 Ca -0.06 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.90 1bdj s VAL 54 Cb -0.05 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.61 1bdj s VAL 54 CO -0.11 0.56 -0.16 -0.63 0.00 0.00 0.00 175.10 174.75 1bdj s ILE 55 N 0.02 1.59 0.03 2.22 1.01 -0.87 -0.70 121.20 124.50 1bdj s ILE 55 Ca -0.09 -0.70 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 1bdj s ILE 55 Cb -0.15 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.89 1bdj s ILE 55 CO 0.05 0.46 0.25 -0.55 0.00 0.00 0.00 174.94 175.15 1bdj s SER 56 N 0.92 -0.06 1.11 3.58 0.15 -0.50 -0.64 113.70 118.26 1bdj s SER 56 Ca -0.07 -0.21 -0.13 0.00 0.70 0.00 0.00 55.95 56.24 1bdj s SER 56 Cb -0.15 0.31 0.18 0.00 -1.71 0.00 0.00 66.02 64.65 1bdj s SER 56 CO -0.01 -0.55 0.76 0.47 1.20 0.00 0.00 173.24 175.11 1bdj n ASP 57 N 0.80 -1.14 -0.05 5.45 8.00 -0.63 -1.09 116.55 127.88 1bdj n ASP 57 Ca -0.19 -1.05 -0.08 0.00 0.71 0.00 0.00 54.79 54.17 1bdj n ASP 57 Cb 0.58 -0.65 -0.05 0.00 -0.02 0.00 0.00 41.12 40.98 1bdj n ASP 57 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1bdj n TRP 58 N -3.76 0.00 -3.43 1.24 -0.00 -1.26 -3.79 117.44 106.43 1bdj n TRP 58 Ca 0.10 0.00 -0.44 0.00 -0.00 0.00 0.00 57.50 57.17 1bdj n TRP 58 Cb 0.38 -0.41 -0.08 0.00 -0.00 0.00 0.00 31.31 31.20 1bdj n TRP 58 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 1bdj s ASN 59 N -5.11 6.04 0.01 5.87 0.01 -1.26 -0.77 114.94 119.73 1bdj s ASN 59 Ca -0.15 -1.39 -0.04 0.00 -0.71 0.00 0.00 52.86 50.58 1bdj s ASN 59 Cb 0.04 -2.14 -0.01 0.00 0.41 0.00 0.00 41.25 39.55 1bdj s ASN 59 CO 0.25 -0.63 0.06 -0.04 -1.51 0.00 0.00 177.10 175.22 1bdj s MET 60 N 1.59 0.40 0.63 -0.60 -1.94 -1.26 -4.87 119.30 113.25 1bdj s MET 60 Ca 0.04 -0.50 -0.13 0.00 -1.71 0.00 0.00 55.69 53.38 1bdj s MET 60 Cb -0.24 0.16 -0.02 0.00 2.01 0.00 0.00 34.83 36.73 1bdj s MET 60 CO 0.05 -0.09 1.05 -1.25 -0.01 0.00 0.00 175.02 174.78 1bdj s PRO 61 N -1.43 3.27 0.00 2.03 0.04 -1.26 -3.62 135.00 134.03 1bdj s PRO 61 Ca -0.15 1.03 0.00 0.00 0.04 0.00 0.00 61.00 61.92 1bdj s PRO 61 Cb -0.09 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1bdj s PRO 61 CO 0.00 -0.84 0.00 0.09 0.04 0.00 0.00 177.00 176.30 1bdj n ASN 62 N -2.48 0.00 -3.40 6.66 3.02 -1.26 -4.60 115.26 113.19 1bdj n ASN 62 Ca 0.08 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.64 1bdj n ASN 62 Cb 0.53 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.67 1bdj n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1bdj s MET 63 N 0.00 0.42 0.94 3.52 1.75 -1.25 -4.86 119.30 119.81 1bdj s MET 63 Ca 0.00 0.95 -0.13 0.00 -1.25 0.00 0.00 55.69 55.26 1bdj s MET 63 Cb 0.00 0.56 0.16 0.00 2.84 0.00 0.00 34.83 38.39 1bdj s MET 63 CO 0.00 -0.24 1.15 0.16 -0.65 0.00 0.00 175.02 175.45 1bdj s ASP 64 N 2.73 3.26 0.43 1.11 1.47 -1.24 -2.35 116.67 122.08 1bdj s ASP 64 Ca 0.01 0.86 0.09 0.00 1.18 0.00 0.00 52.55 54.70 1bdj s ASP 64 Cb -0.10 -1.36 0.96 0.00 -0.34 0.00 0.00 42.92 42.08 1bdj s ASP 64 CO -0.18 -2.70 2.07 1.23 0.68 0.00 0.00 175.17 176.28 1bdj h GLY 65 N -1.60 0.45 1.32 2.12 0.00 -1.04 -2.23 103.07 102.09 1bdj h GLY 65 Ca -0.49 -0.17 -0.16 0.00 0.00 0.00 0.00 47.33 46.51 1bdj h GLY 65 CO 0.57 0.16 -0.45 -2.00 0.00 0.00 0.00 176.54 174.82 1bdj h LEU 66 N 0.43 0.79 -0.30 3.11 5.85 -1.84 -0.70 115.31 122.64 1bdj h LEU 66 Ca 0.13 -0.38 -0.15 0.00 0.84 0.00 0.00 57.88 58.31 1bdj h LEU 66 Cb -0.02 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 1bdj h LEU 66 CO -0.03 1.13 -0.40 -0.33 -0.34 0.00 0.00 178.44 178.47 1bdj h GLU 67 N 0.59 0.81 -0.67 1.25 4.39 -1.86 -1.63 114.58 117.45 1bdj h GLU 67 Ca 0.04 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 1bdj h GLU 67 Cb 1.01 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 1bdj h GLU 67 CO 0.10 1.09 0.38 1.25 -1.16 0.00 0.00 179.01 180.67 1bdj h LEU 68 N 0.57 0.82 0.15 1.33 5.85 -1.36 0.16 115.31 122.83 1bdj h LEU 68 Ca 0.04 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1bdj h LEU 68 Cb 0.99 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1bdj h LEU 68 CO 0.09 0.66 -0.17 0.25 -0.34 0.00 0.00 178.44 178.94 1bdj h LEU 69 N 0.91 -0.45 -0.18 2.25 5.85 -0.98 -1.36 115.31 121.35 1bdj h LEU 69 Ca 0.24 0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.04 1bdj h LEU 69 Cb 0.01 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1bdj h LEU 69 CO -0.04 -0.25 -0.07 0.11 -0.34 0.00 0.00 178.44 177.86 1bdj h LYS 70 N -0.35 -0.03 -0.83 1.25 1.57 -0.82 -1.61 116.57 115.74 1bdj h LYS 70 Ca 0.01 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.88 1bdj h LYS 70 Cb 0.34 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.60 1bdj h LYS 70 CO -0.06 -0.02 0.54 1.15 -0.57 0.00 0.00 179.45 180.49 1bdj h THR 71 N -0.03 0.97 -0.30 -0.16 2.02 -0.54 -1.81 112.91 113.06 1bdj h THR 71 Ca 0.09 -0.28 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 1bdj h THR 71 Cb 0.18 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1bdj h THR 71 CO -0.21 0.15 -0.18 0.40 0.37 0.00 0.00 175.52 176.05 1bdj h ILE 72 N 0.81 1.30 -0.59 3.11 2.04 -0.33 -2.50 117.51 121.35 1bdj h ILE 72 Ca 0.38 -1.31 -0.08 0.00 1.00 0.00 0.00 64.86 64.85 1bdj h ILE 72 Cb 0.40 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1bdj h ILE 72 CO -0.15 0.42 0.04 0.03 0.00 0.00 0.00 178.15 178.49 1bdj h ARG 73 N 0.40 1.00 0.29 2.37 2.47 -0.89 -3.18 114.38 116.85 1bdj h ARG 73 Ca 0.06 -0.28 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 1bdj h ARG 73 Cb 0.72 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 1bdj h ARG 73 CO 0.05 0.96 -0.14 0.00 0.56 0.00 0.00 179.97 181.40 1bdj h ALA 74 N 1.11 -0.39 -2.16 0.04 0.00 -1.32 -3.42 119.26 113.12 1bdj h ALA 74 Ca 0.18 -0.13 -0.56 0.00 0.00 0.00 0.00 54.91 54.39 1bdj h ALA 74 Cb 0.48 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1bdj h ALA 74 CO 0.02 -0.65 1.36 0.34 0.00 0.00 0.00 179.25 180.32 1bdj s ASP 75 N -4.96 5.94 0.47 0.00 -1.08 -0.95 -4.88 116.67 111.22 1bdj s ASP 75 Ca -0.15 2.26 0.22 0.00 -0.52 0.00 0.00 52.55 54.36 1bdj s ASP 75 Cb 0.04 -2.52 1.18 0.00 -1.46 0.00 0.00 42.92 40.16 1bdj s ASP 75 CO 0.61 -1.52 1.99 1.23 0.52 0.00 0.00 175.17 178.00 1bdj h GLY 76 N 12.90 0.00 2.00 2.66 0.00 -1.84 -1.12 103.07 117.67 1bdj h GLY 76 Ca -0.45 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1bdj h GLY 76 CO 0.95 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 177.45 1bdj h ALA 77 N 1.81 1.19 -0.18 3.60 0.00 -1.92 -3.19 119.26 120.57 1bdj h ALA 77 Ca -0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1bdj h ALA 77 Cb 0.44 -0.01 -0.32 0.00 0.00 0.00 0.00 17.79 17.90 1bdj h ALA 77 CO 0.02 0.05 -0.84 0.00 0.00 0.00 0.00 179.25 178.49 1bdj n MET 78 N -3.41 0.98 0.30 0.00 0.00 -1.06 -4.91 117.12 109.01 1bdj n MET 78 Ca -0.02 -2.36 0.19 0.00 0.00 0.00 0.00 57.70 55.51 1bdj n MET 78 Cb 0.17 -0.53 0.86 0.00 0.00 0.00 0.00 33.22 33.71 1bdj n MET 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1bdj h SER 79 N 1.55 0.00 -0.05 3.17 4.64 -1.19 -2.92 113.55 118.75 1bdj h SER 79 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1bdj h SER 79 Cb 1.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1bdj h SER 79 CO 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1bdj n ALA 80 N -2.09 2.46 -1.68 5.18 0.00 -1.26 -4.57 120.51 118.55 1bdj n ALA 80 Ca -0.01 -0.68 -0.46 0.00 0.00 0.00 0.00 53.44 52.29 1bdj n ALA 80 Cb 0.23 -0.67 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 1bdj n ALA 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1bdj n LEU 81 N 1.12 3.50 -4.72 0.00 7.94 -1.10 -4.89 117.00 118.85 1bdj n LEU 81 Ca 0.12 1.00 -0.42 0.00 -1.11 0.00 0.00 56.01 55.60 1bdj n LEU 81 Cb 0.50 -1.42 -0.03 0.00 0.53 0.00 0.00 43.42 42.99 1bdj n LEU 81 CO 0.12 -0.06 1.18 -2.16 -1.11 0.00 0.00 177.39 175.36 1bdj s PRO 82 N 3.05 4.24 -0.10 1.96 0.04 -1.26 -4.91 135.00 138.03 1bdj s PRO 82 Ca 0.87 2.29 0.01 0.00 0.04 0.00 0.00 61.00 64.22 1bdj s PRO 82 Cb -0.64 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 30.75 1bdj s PRO 82 CO 0.45 -0.56 -0.12 0.08 0.04 0.00 0.00 177.00 176.89 1bdj s VAL 83 N 1.05 1.26 -0.17 -0.36 1.01 -1.26 -0.75 120.40 121.18 1bdj s VAL 83 Ca 0.68 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 62.16 1bdj s VAL 83 Cb -0.42 -1.18 0.00 0.00 0.00 0.00 0.00 36.38 34.78 1bdj s VAL 83 CO 0.32 0.39 -0.14 -0.22 0.00 0.00 0.00 175.10 175.45 1bdj s LEU 84 N 1.06 2.48 0.03 3.92 2.96 0.12 -0.08 118.68 129.18 1bdj s LEU 84 Ca -0.06 -0.49 -0.21 0.00 -0.22 0.00 0.00 54.13 53.15 1bdj s LEU 84 Cb -0.15 -1.57 -0.06 0.00 0.50 0.00 0.00 46.19 44.91 1bdj s LEU 84 CO -0.02 0.06 0.64 -0.04 -1.32 0.00 0.00 176.35 175.67 1bdj s MET 85 N 0.98 4.35 -0.37 1.98 -1.94 -0.62 -1.40 119.30 122.28 1bdj s MET 85 Ca -0.02 0.83 0.01 0.00 -1.71 0.00 0.00 55.69 54.80 1bdj s MET 85 Cb -0.15 -3.32 0.12 0.00 2.01 0.00 0.00 34.83 33.49 1bdj s MET 85 CO -0.03 0.42 0.17 0.08 -0.01 0.00 0.00 175.02 175.66 1bdj s VAL 86 N -0.43 1.05 0.08 -6.03 1.01 -0.25 -0.83 120.40 115.01 1bdj s VAL 86 Ca 0.32 -1.94 -0.01 0.00 0.00 0.00 0.00 61.98 60.35 1bdj s VAL 86 Cb -0.19 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1bdj s VAL 86 CO 0.19 -0.80 0.00 0.28 0.00 0.00 0.00 175.10 174.78 1bdj s THR 87 N 1.01 0.18 0.21 3.92 -1.32 -0.76 -4.21 115.64 114.67 1bdj s THR 87 Ca 0.14 -1.83 0.11 0.00 -1.21 0.00 0.00 61.69 58.90 1bdj s THR 87 Cb -0.21 -1.70 -0.03 0.00 -1.51 0.00 0.00 72.50 69.05 1bdj s THR 87 CO -0.11 -0.81 1.57 0.00 -2.21 0.00 0.00 174.62 173.06 1bdj h ALA 88 N 3.04 0.86 -1.78 11.08 0.00 -1.87 -1.21 119.26 129.38 1bdj h ALA 88 Ca -0.34 -0.59 -0.58 0.00 0.00 0.00 0.00 54.91 53.40 1bdj h ALA 88 Cb 1.16 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1bdj h ALA 88 CO 0.63 0.80 1.51 0.39 0.00 0.00 0.00 179.25 182.59 1bdj n GLU 89 N -3.66 1.68 -0.14 0.00 -0.58 -1.26 -4.62 120.64 112.06 1bdj n GLU 89 Ca -0.01 0.41 0.04 0.00 -0.42 0.00 0.00 57.16 57.19 1bdj n GLU 89 Cb 0.66 -3.15 0.12 0.00 -0.57 0.00 0.00 31.44 28.50 1bdj n GLU 89 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1bdj n ALA 90 N 12.09 2.19 -1.07 0.62 0.00 -1.26 -4.82 120.51 128.24 1bdj n ALA 90 Ca 0.33 -1.23 -0.29 0.00 0.00 0.00 0.00 53.44 52.25 1bdj n ALA 90 Cb 0.43 -0.33 0.17 0.00 0.00 0.00 0.00 19.45 19.72 1bdj n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1bdj s LYS 91 N -1.19 0.65 0.22 0.00 1.02 -1.26 -4.90 119.74 114.27 1bdj s LYS 91 Ca 0.18 0.75 -0.07 0.00 0.02 0.00 0.00 55.97 56.85 1bdj s LYS 91 Cb 0.11 -1.74 0.17 0.00 -0.52 0.00 0.00 37.83 35.84 1bdj s LYS 91 CO 0.10 -2.64 1.75 -0.22 -0.92 0.00 0.00 175.35 173.42 1bdj h LYS 92 N -1.84 1.13 -0.38 1.68 3.64 -2.00 -3.03 116.57 115.77 1bdj h LYS 92 Ca -0.53 -0.24 -0.03 0.00 -1.27 0.00 0.00 60.65 58.58 1bdj h LYS 92 Cb 1.31 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1bdj h LYS 92 CO 0.54 0.96 0.13 0.93 -2.27 0.00 0.00 179.45 179.74 1bdj h GLU 93 N 1.08 0.59 -0.74 1.90 5.08 -2.00 -2.59 114.58 117.90 1bdj h GLU 93 Ca 0.23 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1bdj h GLU 93 Cb 0.31 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1bdj h GLU 93 CO -0.01 0.58 0.34 -0.91 -1.00 0.00 0.00 179.01 178.01 1bdj h ASN 94 N 0.47 0.99 -0.03 1.42 4.21 -1.91 -1.10 115.58 119.62 1bdj h ASN 94 Ca 0.12 -0.15 -0.20 0.00 1.21 0.00 0.00 56.30 57.28 1bdj h ASN 94 Cb 0.24 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.18 1bdj h ASN 94 CO -0.01 0.86 -0.71 0.40 -1.29 0.00 0.00 177.43 176.69 1bdj h ILE 95 N 1.05 1.31 -0.39 2.81 2.04 -1.52 -2.72 117.51 120.09 1bdj h ILE 95 Ca 0.25 -1.97 -0.14 0.00 1.00 0.00 0.00 64.86 64.00 1bdj h ILE 95 Cb 0.15 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1bdj h ILE 95 CO -0.03 0.62 -0.30 0.40 0.00 0.00 0.00 178.15 178.84 1bdj h ILE 96 N 0.47 1.28 -0.25 -0.67 1.08 -1.38 -2.12 117.51 115.93 1bdj h ILE 96 Ca -0.03 -1.46 0.05 0.00 -0.39 0.00 0.00 64.86 63.02 1bdj h ILE 96 Cb 1.32 1.36 -0.05 0.00 -3.07 0.00 0.00 36.82 36.37 1bdj h ILE 96 CO 0.14 0.49 -0.06 0.00 -0.69 0.00 0.00 178.15 178.02 1bdj h ALA 97 N 0.78 0.16 -0.79 1.87 0.00 -1.21 -0.40 119.26 119.68 1bdj h ALA 97 Ca 0.07 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1bdj h ALA 97 Cb 0.88 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 1bdj h ALA 97 CO 0.08 -0.47 0.50 0.00 0.00 0.00 0.00 179.25 179.36 1bdj h ALA 98 N 1.24 1.04 -0.63 0.00 0.00 -1.35 0.10 119.26 119.65 1bdj h ALA 98 Ca 0.12 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1bdj h ALA 98 Cb 0.19 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1bdj h ALA 98 CO -0.26 0.31 0.12 0.00 0.00 0.00 0.00 179.25 179.43 1bdj h ALA 99 N 1.33 0.84 -0.39 0.00 0.00 -0.68 0.10 119.26 120.46 1bdj h ALA 99 Ca 0.32 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1bdj h ALA 99 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1bdj h ALA 99 CO -0.11 0.58 -0.04 1.96 0.00 0.00 0.00 179.25 181.65 1bdj h GLN 100 N 0.95 0.71 0.00 0.00 1.08 -0.60 -3.04 115.11 114.21 1bdj h GLN 100 Ca 0.20 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 1bdj h GLN 100 Cb 0.40 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1bdj h GLN 100 CO 0.01 0.82 -0.05 0.00 -0.95 0.00 0.00 178.83 178.66 1bdj h ALA 101 N 0.86 1.03 0.00 3.87 0.00 -0.87 -3.47 119.26 120.67 1bdj h ALA 101 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bdj h ALA 101 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1bdj h ALA 101 CO 0.03 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.75 1bdj n GLY 102 N -0.08 1.54 3.77 0.00 0.00 -0.82 -4.76 105.19 104.83 1bdj n GLY 102 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1bdj n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bdj s ALA 103 N -2.00 3.26 0.17 4.61 0.00 -0.04 -4.85 121.76 122.91 1bdj s ALA 103 Ca 0.00 1.24 0.02 0.00 0.00 0.00 0.00 51.96 53.22 1bdj s ALA 103 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1bdj s ALA 103 CO 0.00 -0.83 1.38 0.77 0.00 0.00 0.00 175.76 177.08 1bdj h SER 104 N 2.67 0.27 -5.44 0.00 0.02 -0.83 -3.47 113.55 106.78 1bdj h SER 104 Ca -0.50 -0.22 0.21 0.00 -0.84 0.00 0.00 61.79 60.45 1bdj h SER 104 Cb 1.25 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 63.62 1bdj h SER 104 CO 0.63 1.01 0.57 -0.83 -1.14 0.00 0.00 176.83 177.07 1bdj s GLY 105 N -4.49 -0.23 -0.01 -3.77 0.00 -1.23 -4.99 107.32 92.60 1bdj s GLY 105 Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.88 1bdj s GLY 105 CO 0.83 0.32 -0.00 -0.47 0.00 0.00 0.00 173.10 173.77 1bdj s TYR 106 N -2.98 0.11 -0.08 1.90 5.04 -1.26 -1.58 117.35 118.50 1bdj s TYR 106 Ca 0.14 0.01 -0.01 0.00 -2.44 0.00 0.00 57.07 54.77 1bdj s TYR 106 Cb -0.00 -0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.21 1bdj s TYR 106 CO 0.01 -0.03 -0.02 0.08 -1.34 0.00 0.00 175.55 174.26 1bdj s VAL 107 N 0.25 0.53 0.13 3.14 1.01 -0.01 -4.98 120.40 120.47 1bdj s VAL 107 Ca -0.02 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 1bdj s VAL 107 Cb -0.04 -0.64 -0.07 0.00 0.00 0.00 0.00 36.38 35.63 1bdj s VAL 107 CO -0.01 0.28 0.64 -0.69 0.00 0.00 0.00 175.10 175.32 1bdj s VAL 108 N 1.78 4.64 -0.01 2.92 1.01 -1.26 -1.82 120.40 127.67 1bdj s VAL 108 Ca 0.03 1.28 -0.10 0.00 0.00 0.00 0.00 61.98 63.19 1bdj s VAL 108 Cb -0.13 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1bdj s VAL 108 CO -0.05 0.44 0.31 -0.54 0.00 0.00 0.00 175.10 175.26 1bdj s LYS 109 N -1.39 3.69 0.52 2.72 1.02 -0.46 -3.54 119.74 122.31 1bdj s LYS 109 Ca 0.34 0.12 -0.17 0.00 0.02 0.00 0.00 55.97 56.28 1bdj s LYS 109 Cb -0.19 -3.13 -0.08 0.00 -0.52 0.00 0.00 37.83 33.92 1bdj s LYS 109 CO 0.21 0.67 0.99 -1.25 -0.92 0.00 0.00 175.35 175.05 1bdj s PRO 110 N -1.43 3.89 0.31 -1.68 0.04 -1.26 -4.67 135.00 130.19 1bdj s PRO 110 Ca 0.25 0.98 0.05 0.00 0.04 0.00 0.00 61.00 62.32 1bdj s PRO 110 Cb -0.14 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.21 1bdj s PRO 110 CO 0.13 -0.32 -0.00 -0.59 0.04 0.00 0.00 177.00 176.26 1bdj s PHE 111 N -2.60 1.99 0.15 0.56 -0.12 -1.23 -5.16 117.98 111.56 1bdj s PHE 111 Ca 0.59 -0.81 0.08 0.00 -0.05 0.00 0.00 56.93 56.74 1bdj s PHE 111 Cb -0.10 -1.23 -0.04 0.00 -0.63 0.00 0.00 43.02 41.01 1bdj s PHE 111 CO 0.32 0.17 -0.06 0.95 -0.05 0.00 0.00 175.22 176.54 1bdj s THR 112 N -3.12 3.43 0.39 -4.49 -4.23 -1.26 -5.02 115.64 101.34 1bdj s THR 112 Ca 0.33 -1.44 0.16 0.00 -1.18 0.00 0.00 61.69 59.55 1bdj s THR 112 Cb 0.06 -2.68 0.37 0.00 1.34 0.00 0.00 72.50 71.60 1bdj s THR 112 CO 0.14 -0.03 1.80 0.00 -0.54 0.00 0.00 174.62 175.98 1bdj h ALA 113 N 3.08 2.12 0.06 3.99 0.00 -2.02 -0.03 119.26 126.46 1bdj h ALA 113 Ca -0.48 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.50 1bdj h ALA 113 Cb 1.19 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1bdj h ALA 113 CO 0.55 -0.47 -0.17 0.00 0.00 0.00 0.00 179.25 179.15 1bdj h ALA 114 N 1.62 -0.25 0.79 0.00 0.00 -1.99 -2.15 119.26 117.27 1bdj h ALA 114 Ca 0.55 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.41 1bdj h ALA 114 Cb 1.27 0.28 0.01 0.00 0.00 0.00 0.00 17.79 19.35 1bdj h ALA 114 CO -0.27 -0.68 -0.38 1.15 0.00 0.00 0.00 179.25 179.07 1bdj h THR 115 N -0.31 0.21 -0.94 0.00 2.02 -1.42 -2.49 112.91 109.98 1bdj h THR 115 Ca 0.04 -0.03 0.22 0.00 0.77 0.00 0.00 66.41 67.41 1bdj h THR 115 Cb 0.35 0.22 -0.07 0.00 -1.74 0.00 0.00 68.15 66.91 1bdj h THR 115 CO -0.12 0.00 0.62 0.25 0.37 0.00 0.00 175.52 176.64 1bdj h LEU 116 N -1.09 0.37 -0.48 2.58 7.12 -1.46 0.27 115.31 122.62 1bdj h LEU 116 Ca -0.11 0.05 -0.17 0.00 0.13 0.00 0.00 57.88 57.78 1bdj h LEU 116 Cb 0.82 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.92 1bdj h LEU 116 CO 0.18 0.13 -0.72 -0.33 -0.13 0.00 0.00 178.44 177.57 1bdj h GLU 117 N 0.36 0.28 0.02 1.25 5.08 -1.28 -2.12 114.58 118.16 1bdj h GLU 117 Ca 0.49 -0.23 -0.23 0.00 -1.00 0.00 0.00 59.36 58.40 1bdj h GLU 117 Cb 1.32 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1bdj h GLU 117 CO -0.18 0.88 -0.97 0.93 -1.00 0.00 0.00 179.01 178.67 1bdj h GLU 118 N 0.19 0.35 -0.32 2.33 5.08 -0.19 -1.57 114.58 120.44 1bdj h GLU 118 Ca -0.02 -0.40 -0.09 0.00 -1.00 0.00 0.00 59.36 57.84 1bdj h GLU 118 Cb 1.27 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 1bdj h GLU 118 CO 0.11 1.09 -0.20 0.87 -1.00 0.00 0.00 179.01 179.89 1bdj h LYS 119 N 0.18 0.60 0.11 2.33 1.79 -0.60 -0.32 116.57 120.66 1bdj h LYS 119 Ca -0.08 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.17 1bdj h LYS 119 Cb 1.61 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 32.22 1bdj h LYS 119 CO 0.16 0.76 -0.05 -0.07 -1.08 0.00 0.00 179.45 179.17 1bdj h LEU 120 N 0.54 -0.12 -2.75 2.94 3.38 -1.35 -2.97 115.31 114.96 1bdj h LEU 120 Ca 0.08 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 1bdj h LEU 120 Cb 0.64 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1bdj h LEU 120 CO 0.05 0.42 -0.00 0.78 0.09 0.00 0.00 178.44 179.78 1bdj h ASN 121 N -0.73 0.00 -0.00 -0.43 4.21 -1.18 -0.79 115.58 116.66 1bdj h ASN 121 Ca -0.01 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.43 1bdj h ASN 121 Cb 0.55 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.75 1bdj h ASN 121 CO 0.02 0.00 -0.25 0.50 -1.29 0.00 0.00 177.43 176.42 1bdj h LYS 122 N 0.00 0.17 -0.04 0.81 1.63 -1.06 -3.09 116.57 114.99 1bdj h LYS 122 Ca -0.00 -0.18 -0.07 0.00 -0.85 0.00 0.00 60.65 59.55 1bdj h LYS 122 Cb 0.08 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1bdj h LYS 122 CO 0.00 0.92 -0.30 0.82 -3.45 0.00 0.00 179.45 177.43 1bdj h ILE 123 N -0.50 1.23 -0.61 2.00 2.04 -1.19 -2.11 117.51 118.37 1bdj h ILE 123 Ca -0.03 -1.10 -0.06 0.00 1.00 0.00 0.00 64.86 64.66 1bdj h ILE 123 Cb 1.00 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 1bdj h ILE 123 CO 0.05 0.32 0.12 -0.26 0.00 0.00 0.00 178.15 178.38 1bdj h PHE 124 N 0.06 1.01 0.42 1.37 0.04 -1.21 -2.22 116.94 116.41 1bdj h PHE 124 Ca 0.01 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.64 1bdj h PHE 124 Cb 0.57 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 38.44 1bdj h PHE 124 CO 0.00 0.85 -0.20 0.93 -0.60 0.00 0.00 178.31 179.29 1bdj h GLU 125 N 0.92 -0.54 -1.00 1.51 3.07 -1.39 0.25 114.58 117.40 1bdj h GLU 125 Ca 0.19 0.04 0.35 0.00 -0.50 0.00 0.00 59.36 59.44 1bdj h GLU 125 Cb 0.37 0.12 -0.16 0.00 -0.84 0.00 0.00 28.75 28.24 1bdj h GLU 125 CO 0.01 -0.36 0.52 -0.22 -1.40 0.00 0.00 179.01 177.56 1bdj h LYS 126 N -1.14 0.18 0.00 2.33 3.64 -1.40 0.15 116.57 120.32 1bdj h LYS 126 Ca -0.06 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 1bdj h LYS 126 Cb 0.43 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1bdj h LYS 126 CO 0.09 0.12 -1.64 1.28 -2.27 0.00 0.00 179.45 177.03 1bdj n LEU 127 N -5.16 0.52 -0.26 5.20 4.77 -0.84 -5.01 117.00 116.23 1bdj n LEU 127 Ca 0.33 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1bdj n LEU 127 Cb 1.08 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 42.28 1bdj n LEU 127 CO 0.05 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1bdj n GLY 128 N 1.39 0.70 0.00 -0.72 0.00 0.51 -5.09 105.19 101.99 1bdj n GLY 128 Ca -0.11 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.23 1bdj n GLY 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35