#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxb n TYR 2 N 0.00 3.48 -3.73 3.17 4.01 -1.26 -5.02 117.16 117.82 1bxb n TYR 2 Ca 0.00 -3.20 -0.35 0.00 -0.16 0.00 0.00 57.90 54.19 1bxb n TYR 2 Cb 0.00 -0.21 -0.08 0.00 -0.31 0.00 0.00 39.34 38.74 1bxb n TYR 2 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1bxb s GLU 3 N -3.57 4.17 0.28 -0.72 0.41 -1.26 -4.75 118.70 113.27 1bxb s GLU 3 Ca 0.48 -0.23 -0.30 0.00 -0.41 0.00 0.00 54.97 54.52 1bxb s GLU 3 Cb 0.38 -3.43 -0.11 0.00 -1.78 0.00 0.00 34.13 29.20 1bxb s GLU 3 CO -0.19 0.28 1.50 -2.14 -0.49 0.00 0.00 175.26 174.22 1bxb s PRO 4 N 0.42 4.20 0.25 0.39 0.02 -1.26 -5.03 135.00 133.98 1bxb s PRO 4 Ca 0.08 2.44 0.09 0.00 0.02 0.00 0.00 61.00 63.63 1bxb s PRO 4 Cb -0.11 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.30 1bxb s PRO 4 CO -0.01 -0.51 -0.15 0.15 -0.33 0.00 0.00 177.00 176.15 1bxb s LYS 5 N -0.64 1.50 0.45 5.54 1.02 -1.26 -4.84 119.74 121.50 1bxb s LYS 5 Ca 0.60 -1.69 0.23 0.00 0.02 0.00 0.00 55.97 55.12 1bxb s LYS 5 Cb -0.45 -1.37 1.03 0.00 -0.52 0.00 0.00 37.83 36.52 1bxb s LYS 5 CO 0.47 0.21 1.89 -1.00 -0.92 0.00 0.00 175.35 176.01 1bxb h PRO 6 N 2.40 0.00 0.00 -1.68 0.13 -1.92 -1.67 132.00 129.26 1bxb h PRO 6 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1bxb h PRO 6 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1bxb h PRO 6 CO 0.62 0.24 0.00 -0.85 -0.23 0.00 0.00 178.00 177.78 1bxb n GLU 7 N -3.59 0.04 0.20 0.86 0.00 -1.26 -1.88 120.64 115.00 1bxb n GLU 7 Ca -0.01 0.24 0.09 0.00 0.00 0.00 0.00 57.16 57.48 1bxb n GLU 7 Cb 0.38 -1.56 0.31 0.00 0.00 0.00 0.00 31.44 30.57 1bxb n GLU 7 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1bxb h HIS 8 N 0.00 0.00 -5.83 -1.84 3.86 -1.70 -3.48 115.15 106.17 1bxb h HIS 8 Ca 0.00 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.82 1bxb h HIS 8 Cb 0.32 0.00 0.14 0.00 1.06 0.00 0.00 27.41 28.93 1bxb h HIS 8 CO 0.00 0.25 -0.71 0.54 0.86 0.00 0.00 177.93 178.87 1bxb n ARG 9 N -3.28 -7.46 -2.66 2.45 1.74 -0.79 -4.56 116.66 102.10 1bxb n ARG 9 Ca 0.01 0.82 -0.41 0.00 -0.77 0.00 0.00 57.85 57.50 1bxb n ARG 9 Cb 0.52 -5.85 -0.04 0.00 -1.02 0.00 0.00 32.46 26.07 1bxb n ARG 9 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1bxb s PHE 10 N -3.34 3.75 0.14 -1.55 0.08 -1.26 -0.91 117.98 114.89 1bxb s PHE 10 Ca 0.43 1.73 0.05 0.00 0.12 0.00 0.00 56.93 59.26 1bxb s PHE 10 Cb -0.19 -3.13 -0.04 0.00 -0.57 0.00 0.00 43.02 39.09 1bxb s PHE 10 CO 0.74 -0.06 -0.12 0.95 -0.10 0.00 0.00 175.22 176.63 1bxb s THR 11 N -0.07 1.25 -0.01 0.64 -4.23 -0.49 -0.35 115.64 112.38 1bxb s THR 11 Ca 0.48 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 59.07 1bxb s THR 11 Cb -0.25 -1.73 -0.00 0.00 1.34 0.00 0.00 72.50 71.85 1bxb s THR 11 CO 0.31 -0.63 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.34 1bxb s PHE 12 N -2.88 0.65 0.56 3.99 0.40 -1.03 -2.09 117.98 117.58 1bxb s PHE 12 Ca 0.14 -0.13 -0.16 0.00 -0.60 0.00 0.00 56.93 56.18 1bxb s PHE 12 Cb -0.00 -0.44 -0.06 0.00 0.51 0.00 0.00 43.02 43.03 1bxb s PHE 12 CO 0.02 -0.03 1.02 0.20 0.70 0.00 0.00 175.22 177.13 1bxb s GLY 13 N -0.06 2.06 0.41 4.36 0.00 -1.26 -1.46 107.32 111.38 1bxb s GLY 13 Ca 0.01 0.26 0.08 0.00 0.00 0.00 0.00 44.72 45.08 1bxb s GLY 13 CO -0.00 0.56 2.04 1.41 0.00 0.00 0.00 173.10 177.10 1bxb h LEU 14 N 0.61 0.45 -0.22 0.66 3.38 -1.50 -1.57 115.31 117.12 1bxb h LEU 14 Ca -0.47 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1bxb h LEU 14 Cb 1.20 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1bxb h LEU 14 CO 0.60 0.32 0.00 -2.67 0.09 0.00 0.00 178.44 176.77 1bxb n TRP 15 N -4.47 0.44 -0.01 1.13 2.14 -1.26 -1.47 117.44 113.93 1bxb n TRP 15 Ca 0.05 0.15 -0.00 0.00 2.07 0.00 0.00 57.50 59.77 1bxb n TRP 15 Cb 0.13 -0.75 -0.00 0.00 -0.81 0.00 0.00 31.31 29.88 1bxb n TRP 15 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 1bxb h THR 16 N 0.00 0.00 0.00 -1.67 1.35 -1.51 -2.93 112.91 108.15 1bxb h THR 16 Ca 0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1bxb h THR 16 Cb 0.43 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.85 1bxb h THR 16 CO 0.00 0.00 0.00 -0.37 -0.25 0.00 0.00 175.52 174.90 1bxb h VAL 17 N -0.21 0.00 -0.01 6.82 -1.51 -1.70 -2.74 116.25 116.90 1bxb h VAL 17 Ca 0.00 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1bxb h VAL 17 Cb 0.03 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 1bxb h VAL 17 CO 0.00 0.00 -0.10 0.61 -1.23 0.00 0.00 177.57 176.85 1bxb n GLY 18 N 0.11 -0.44 3.70 5.19 0.00 -0.54 -4.90 105.19 108.31 1bxb n GLY 18 Ca 0.02 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1bxb n GLY 18 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bxb n ASN 19 N -0.39 3.83 -0.50 1.61 5.15 -1.03 -4.65 115.26 119.29 1bxb n ASN 19 Ca 0.16 1.04 0.13 0.00 -0.60 0.00 0.00 54.58 55.31 1bxb n ASN 19 Cb 0.32 -1.53 0.48 0.00 -0.53 0.00 0.00 39.78 38.51 1bxb n ASN 19 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1bxb n VAL 20 N 4.10 0.07 -0.73 3.44 0.24 -1.26 -4.91 118.33 119.29 1bxb n VAL 20 Ca 0.17 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1bxb n VAL 20 Cb 0.34 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 1bxb n VAL 20 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bxb n GLY 21 N 1.16 0.56 3.75 7.63 0.00 -1.26 -0.90 105.19 116.13 1bxb n GLY 21 Ca 0.18 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 1bxb n GLY 21 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bxb s ARG 22 N -1.36 4.64 0.32 1.61 3.52 -1.26 -4.05 118.95 122.37 1bxb s ARG 22 Ca 0.00 1.28 0.05 0.00 -0.13 0.00 0.00 55.73 56.92 1bxb s ARG 22 Cb 0.00 -3.32 -0.02 0.00 -1.56 0.00 0.00 34.95 30.05 1bxb s ARG 22 CO 0.00 0.40 0.18 -0.40 -0.81 0.00 0.00 175.30 174.67 1bxb n ASP 23 N 2.17 0.38 0.03 -2.12 5.68 -1.04 -4.97 116.55 116.68 1bxb n ASP 23 Ca -0.02 -2.87 0.07 0.00 -0.50 0.00 0.00 54.79 51.47 1bxb n ASP 23 Cb 0.49 1.13 0.30 0.00 -1.14 0.00 0.00 41.12 41.90 1bxb n ASP 23 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 1bxb n PRO 24 N -0.68 0.04 -0.02 0.11 -0.02 -1.26 -2.58 135.00 130.60 1bxb n PRO 24 Ca 0.00 0.34 0.02 0.00 -2.02 0.00 0.00 63.50 61.84 1bxb n PRO 24 Cb 0.52 -1.59 0.02 0.00 -0.02 0.00 0.00 33.50 32.44 1bxb n PRO 24 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1bxb n PHE 25 N -1.67 0.00 -3.66 6.00 3.72 -1.26 -5.06 117.46 115.53 1bxb n PHE 25 Ca 0.02 -0.55 -0.15 0.00 -0.05 0.00 0.00 57.45 56.72 1bxb n PHE 25 Cb 0.14 -0.06 -0.08 0.00 -0.94 0.00 0.00 39.48 38.54 1bxb n PHE 25 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1bxb s GLY 26 N -1.25 -0.37 0.84 1.37 0.00 -1.06 -5.16 107.32 101.68 1bxb s GLY 26 Ca 0.05 0.97 -0.11 0.00 0.00 0.00 0.00 44.72 45.63 1bxb s GLY 26 CO 0.00 0.70 1.09 0.99 0.00 0.00 0.00 173.10 175.89 1bxb s ASP 27 N -0.89 3.96 0.40 1.64 1.01 -1.26 -2.50 116.67 119.03 1bxb s ASP 27 Ca -0.09 1.64 -0.27 0.00 0.71 0.00 0.00 52.55 54.53 1bxb s ASP 27 Cb -0.03 -2.33 -0.10 0.00 1.01 0.00 0.00 42.92 41.47 1bxb s ASP 27 CO 0.06 -2.35 1.48 0.00 0.21 0.00 0.00 175.17 174.57 1bxb s ALA 28 N -2.92 3.50 -0.59 5.23 0.00 -1.26 -4.36 121.76 121.35 1bxb s ALA 28 Ca 0.62 1.57 0.10 0.00 0.00 0.00 0.00 51.96 54.25 1bxb s ALA 28 Cb -0.18 -3.61 -0.09 0.00 0.00 0.00 0.00 23.12 19.24 1bxb s ALA 28 CO 0.56 -1.11 0.49 1.33 0.00 0.00 0.00 175.76 177.03 1bxb n VAL 29 N 0.29 0.00 -4.37 0.00 0.24 -0.08 -4.89 118.33 109.52 1bxb n VAL 29 Ca 0.02 -0.28 -0.19 0.00 -2.04 0.00 0.00 64.34 61.85 1bxb n VAL 29 Cb 0.40 1.03 -0.10 0.00 -1.47 0.00 0.00 33.84 33.69 1bxb n VAL 29 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1bxb s ARG 30 N -1.88 1.40 0.25 7.34 0.52 -0.49 -4.96 118.95 121.13 1bxb s ARG 30 Ca 0.05 -1.67 -0.17 0.00 -0.52 0.00 0.00 55.73 53.42 1bxb s ARG 30 Cb 0.08 -1.06 -0.08 0.00 0.52 0.00 0.00 34.95 34.41 1bxb s ARG 30 CO 0.40 0.09 0.70 -1.21 0.02 0.00 0.00 175.30 175.31 1bxb s GLU 31 N -3.70 4.13 0.22 3.54 0.41 -1.26 -4.79 118.70 117.24 1bxb s GLU 31 Ca 0.25 0.75 -0.31 0.00 -0.41 0.00 0.00 54.97 55.25 1bxb s GLU 31 Cb 0.02 -2.73 -0.10 0.00 -1.78 0.00 0.00 34.13 29.53 1bxb s GLU 31 CO 0.09 0.32 1.55 0.50 -0.49 0.00 0.00 175.26 177.23 1bxb s ARG 32 N -2.33 4.20 0.10 1.61 3.52 -1.26 -4.89 118.95 119.91 1bxb s ARG 32 Ca 0.46 2.41 0.01 0.00 -0.13 0.00 0.00 55.73 58.49 1bxb s ARG 32 Cb -0.14 -3.11 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 1bxb s ARG 32 CO 0.20 -0.57 0.24 -0.51 -0.81 0.00 0.00 175.30 173.84 1bxb s LEU 33 N 0.42 4.31 0.02 -0.88 1.43 -1.26 -5.08 118.68 117.63 1bxb s LEU 33 Ca 0.66 0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 53.68 1bxb s LEU 33 Cb -0.45 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 1bxb s LEU 33 CO 0.38 0.11 0.92 -0.62 0.23 0.00 0.00 176.35 177.37 1bxb s ASP 34 N -2.86 7.33 0.34 2.29 2.15 -1.26 -4.95 116.67 119.72 1bxb s ASP 34 Ca 0.34 1.61 0.11 0.00 0.43 0.00 0.00 52.55 55.04 1bxb s ASP 34 Cb -0.12 -2.54 0.90 0.00 -0.30 0.00 0.00 42.92 40.86 1bxb s ASP 34 CO 0.28 -0.17 1.78 -0.65 -0.17 0.00 0.00 175.17 176.23 1bxb h PRO 35 N 6.43 0.58 -0.17 4.34 0.11 -1.98 0.78 132.00 142.09 1bxb h PRO 35 Ca -0.42 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 1bxb h PRO 35 Cb 1.21 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1bxb h PRO 35 CO 0.74 0.38 -0.51 0.28 -0.21 0.00 0.00 178.00 178.68 1bxb h VAL 36 N 0.60 1.33 -0.37 3.15 2.07 -1.96 -2.17 116.25 118.89 1bxb h VAL 36 Ca 0.58 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 1bxb h VAL 36 Cb 1.14 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 1bxb h VAL 36 CO -0.35 0.54 0.08 0.22 0.02 0.00 0.00 177.57 178.07 1bxb h TYR 37 N 0.37 0.65 0.00 1.57 3.20 -1.30 -2.44 116.97 119.02 1bxb h TYR 37 Ca 0.01 -0.08 -0.12 0.00 3.14 0.00 0.00 58.73 61.68 1bxb h TYR 37 Cb 1.03 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 1bxb h TYR 37 CO 0.04 0.64 -0.55 -0.39 -1.64 0.00 0.00 178.16 176.26 1bxb h VAL 38 N 0.46 1.33 -0.51 1.81 -1.51 -1.11 -1.99 116.25 114.72 1bxb h VAL 38 Ca 0.12 -1.93 0.05 0.00 -1.23 0.00 0.00 66.70 63.70 1bxb h VAL 38 Cb 0.34 2.06 -0.05 0.00 -2.13 0.00 0.00 31.29 31.51 1bxb h VAL 38 CO 0.00 0.54 0.25 0.58 -1.23 0.00 0.00 177.57 177.71 1bxb h VAL 39 N 0.00 0.94 -0.45 7.19 2.07 -1.29 0.55 116.25 125.26 1bxb h VAL 39 Ca -0.01 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 1bxb h VAL 39 Cb 1.02 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1bxb h VAL 39 CO 0.07 0.09 -0.10 0.45 0.02 0.00 0.00 177.57 178.10 1bxb h HIS 40 N 0.49 0.87 -0.10 1.57 -0.00 -1.26 -1.87 115.15 114.85 1bxb h HIS 40 Ca 0.23 -0.16 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 1bxb h HIS 40 Cb 0.15 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 27.33 1bxb h HIS 40 CO -0.11 0.86 0.03 0.87 -0.00 0.00 0.00 177.93 179.58 1bxb h LYS 41 N 0.72 0.16 -0.89 2.45 1.79 -0.76 -1.74 116.57 118.30 1bxb h LYS 41 Ca 0.12 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.57 1bxb h LYS 41 Cb 0.58 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.17 1bxb h LYS 41 CO 0.04 0.31 0.59 -0.07 -1.08 0.00 0.00 179.45 179.23 1bxb h LEU 42 N -0.02 1.02 -0.45 2.94 3.38 -0.85 -0.09 115.31 121.24 1bxb h LEU 42 Ca 0.03 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1bxb h LEU 42 Cb 0.22 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1bxb h LEU 42 CO -0.00 0.74 0.20 0.00 0.09 0.00 0.00 178.44 179.47 1bxb h ALA 43 N 1.33 0.58 -0.48 1.53 0.00 -1.31 -1.01 119.26 119.89 1bxb h ALA 43 Ca 0.33 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1bxb h ALA 43 Cb -0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1bxb h ALA 43 CO -0.07 0.17 0.32 1.49 0.00 0.00 0.00 179.25 181.16 1bxb h GLU 44 N 0.59 0.63 0.00 0.00 4.81 -0.74 -2.67 114.58 117.20 1bxb h GLU 44 Ca 0.15 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1bxb h GLU 44 Cb 0.16 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1bxb h GLU 44 CO -0.02 0.42 0.00 -0.07 -0.73 0.00 0.00 179.01 178.61 1bxb h LEU 45 N 0.65 0.00 0.00 1.64 4.07 0.20 -3.47 115.31 118.40 1bxb h LEU 45 Ca 0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.14 1bxb h LEU 45 Cb -0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.67 1bxb h LEU 45 CO -0.04 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.93 1bxb n GLY 46 N 1.21 0.95 3.74 0.83 0.00 -0.55 -4.78 105.19 106.59 1bxb n GLY 46 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1bxb n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxb s ALA 47 N -2.00 2.26 -0.11 4.61 0.00 -0.73 -4.43 121.76 121.36 1bxb s ALA 47 Ca 0.00 0.76 0.11 0.00 0.00 0.00 0.00 51.96 52.83 1bxb s ALA 47 Cb 0.00 -3.41 -0.24 0.00 0.00 0.00 0.00 23.12 19.47 1bxb s ALA 47 CO 0.00 -1.63 0.40 0.98 0.00 0.00 0.00 175.76 175.50 1bxb n TYR 48 N -2.57 0.69 -3.78 0.00 9.36 0.53 -4.66 117.16 116.73 1bxb n TYR 48 Ca 0.12 0.22 -0.08 0.00 3.32 0.00 0.00 57.90 61.48 1bxb n TYR 48 Cb 0.51 -1.12 -0.02 0.00 -0.63 0.00 0.00 39.34 38.08 1bxb n TYR 48 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1bxb s GLY 49 N -5.38 -0.14 0.03 2.98 0.00 -1.17 -1.89 107.32 101.76 1bxb s GLY 49 Ca -0.11 -0.20 0.06 0.00 0.00 0.00 0.00 44.72 44.48 1bxb s GLY 49 CO 0.80 -0.10 -0.18 0.54 0.00 0.00 0.00 173.10 174.16 1bxb s VAL 50 N -3.89 1.42 0.36 1.40 0.11 -0.22 -2.47 120.40 117.11 1bxb s VAL 50 Ca 0.10 -1.03 0.08 0.00 -2.93 0.00 0.00 61.98 58.20 1bxb s VAL 50 Cb -0.04 -1.24 -0.05 0.00 -1.53 0.00 0.00 36.38 33.52 1bxb s VAL 50 CO 0.02 0.18 0.12 0.20 -3.33 0.00 0.00 175.10 172.29 1bxb s ASN 51 N -0.99 4.49 -0.05 3.54 0.02 -0.53 -3.82 114.94 117.59 1bxb s ASN 51 Ca 0.05 -0.90 -0.27 0.00 -1.02 0.00 0.00 52.86 50.72 1bxb s ASN 51 Cb -0.08 -0.62 0.06 0.00 0.02 0.00 0.00 41.25 40.63 1bxb s ASN 51 CO 0.01 -0.34 0.61 -1.48 0.02 0.00 0.00 177.10 175.92 1bxb s LEU 52 N -3.83 -0.36 0.65 0.60 0.05 -1.12 -1.12 118.68 113.55 1bxb s LEU 52 Ca 0.38 0.63 -0.10 0.00 0.05 0.00 0.00 54.13 55.08 1bxb s LEU 52 Cb -0.00 2.28 -0.01 0.00 -2.05 0.00 0.00 46.19 46.40 1bxb s LEU 52 CO 0.22 -0.56 1.04 -1.00 -0.55 0.00 0.00 176.35 175.50 1bxb s HIS 53 N -1.13 3.45 0.19 3.48 3.76 -1.26 -2.24 115.29 121.55 1bxb s HIS 53 Ca -0.11 1.09 -0.12 0.00 -0.15 0.00 0.00 55.06 55.77 1bxb s HIS 53 Cb -0.01 -2.86 0.17 0.00 1.11 0.00 0.00 32.58 30.99 1bxb s HIS 53 CO 0.08 -0.91 1.79 0.38 -0.85 0.00 0.00 174.74 175.23 1bxb h ASP 54 N -0.43 0.43 0.68 1.40 2.03 -1.86 -1.78 116.42 116.88 1bxb h ASP 54 Ca -0.45 0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 1bxb h ASP 54 Cb 1.23 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1bxb h ASP 54 CO 0.63 0.29 0.00 -0.62 -1.03 0.00 0.00 179.24 178.50 1bxb n GLU 55 N -4.85 0.16 0.08 4.15 1.02 -1.25 -0.87 120.64 119.08 1bxb n GLU 55 Ca 0.06 0.07 -0.03 0.00 -0.02 0.00 0.00 57.16 57.23 1bxb n GLU 55 Cb 0.15 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.25 1bxb n GLU 55 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1bxb h ASP 56 N 0.00 0.28 0.00 1.62 3.32 -1.71 -3.36 116.42 116.57 1bxb h ASP 56 Ca 0.00 -0.13 -0.31 0.00 0.02 0.00 0.00 57.03 56.61 1bxb h ASP 56 Cb 0.34 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.75 1bxb h ASP 56 CO 0.00 0.72 -2.18 -0.11 -1.72 0.00 0.00 179.24 175.95 1bxb n LEU 57 N -3.97 2.07 -3.76 1.55 7.94 -0.80 -4.93 117.00 115.10 1bxb n LEU 57 Ca -0.02 -0.08 -0.29 0.00 -1.11 0.00 0.00 56.01 54.51 1bxb n LEU 57 Cb 0.53 -0.39 -0.16 0.00 0.53 0.00 0.00 43.42 43.94 1bxb n LEU 57 CO 0.43 0.72 -0.36 -0.63 -1.11 0.00 0.00 177.39 176.44 1bxb s ILE 58 N -2.41 0.85 0.63 1.96 1.01 -0.05 -5.00 121.20 118.20 1bxb s ILE 58 Ca -0.22 -1.10 -0.19 0.00 0.00 0.00 0.00 60.65 59.15 1bxb s ILE 58 Cb 0.07 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 1bxb s ILE 58 CO 0.54 -0.44 1.31 -2.65 0.00 0.00 0.00 174.94 173.70 1bxb n PRO 59 N 4.89 1.21 -1.70 2.79 -0.02 -1.26 -3.94 135.00 136.97 1bxb n PRO 59 Ca -0.06 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.46 1bxb n PRO 59 Cb 0.44 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.34 1bxb n PRO 59 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1bxb n ARG 60 N -1.78 2.54 -0.35 -0.52 1.74 -1.26 -2.36 116.66 114.68 1bxb n ARG 60 Ca 0.15 0.92 0.00 0.00 -0.77 0.00 0.00 57.85 58.15 1bxb n ARG 60 Cb 0.47 -2.72 0.00 0.00 -1.02 0.00 0.00 32.46 29.19 1bxb n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bxb n GLY 61 N 3.53 0.71 3.68 -0.13 0.00 -1.26 -5.03 105.19 106.69 1bxb n GLY 61 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1bxb n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bxb s THR 62 N -2.53 3.12 0.35 2.61 2.01 -0.99 -4.97 115.64 115.23 1bxb s THR 62 Ca 0.00 0.46 -0.28 0.00 0.31 0.00 0.00 61.69 62.17 1bxb s THR 62 Cb 0.00 -3.29 -0.11 0.00 0.01 0.00 0.00 72.50 69.11 1bxb s THR 62 CO 0.00 -0.01 1.40 -2.16 -0.69 0.00 0.00 174.62 173.16 1bxb s PRO 63 N 3.11 4.23 0.00 4.92 0.04 -1.26 -4.79 135.00 141.25 1bxb s PRO 63 Ca 0.76 2.40 0.00 0.00 0.04 0.00 0.00 61.00 64.19 1bxb s PRO 63 Cb -0.39 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1bxb s PRO 63 CO 0.33 -0.37 0.50 -0.35 0.04 0.00 0.00 177.00 177.15 1bxb n PRO 64 N 0.69 0.70 -0.07 0.56 -0.04 -1.26 -0.54 135.00 135.05 1bxb n PRO 64 Ca 0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.39 1bxb n PRO 64 Cb 0.40 -1.20 -0.10 0.00 -0.04 0.00 0.00 33.50 32.56 1bxb n PRO 64 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1bxb n GLN 65 N -0.12 1.45 0.08 0.54 3.00 -1.26 -4.26 117.38 116.80 1bxb n GLN 65 Ca 0.00 0.02 -0.08 0.00 -0.01 0.00 0.00 57.00 56.93 1bxb n GLN 65 Cb 0.10 -1.35 -0.05 0.00 0.00 0.00 0.00 30.24 28.94 1bxb n GLN 65 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1bxb h GLU 66 N 0.00 0.08 -0.39 -1.09 4.81 -1.18 -3.20 114.58 113.60 1bxb h GLU 66 Ca -0.37 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 58.78 1bxb h GLU 66 Cb 1.78 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 31.16 1bxb h GLU 66 CO 0.00 0.96 0.20 -0.09 -0.73 0.00 0.00 179.01 179.35 1bxb h ARG 67 N 0.03 0.39 0.00 1.92 2.43 -1.56 -0.70 114.38 116.90 1bxb h ARG 67 Ca -0.03 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.01 1bxb h ARG 67 Cb 1.63 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 31.08 1bxb h ARG 67 CO 0.13 0.26 -0.51 -0.44 -1.51 0.00 0.00 179.97 177.90 1bxb h ASP 68 N 0.40 0.00 -0.25 -3.80 3.32 -1.74 -0.45 116.42 113.90 1bxb h ASP 68 Ca 0.17 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.07 1bxb h ASP 68 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1bxb h ASP 68 CO -0.11 0.51 -0.39 -0.61 -1.72 0.00 0.00 179.24 176.92 1bxb h GLN 69 N 0.00 0.80 -0.14 3.56 5.75 -1.40 -2.16 115.11 121.52 1bxb h GLN 69 Ca -0.01 -0.41 -0.04 0.00 -0.15 0.00 0.00 58.65 58.05 1bxb h GLN 69 Cb 1.00 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.55 1bxb h GLN 69 CO 0.07 1.04 -0.06 0.82 -2.65 0.00 0.00 178.83 178.05 1bxb h ILE 70 N 0.65 1.31 -0.72 2.39 2.04 -0.27 -2.56 117.51 120.36 1bxb h ILE 70 Ca 0.05 -1.09 0.03 0.00 1.00 0.00 0.00 64.86 64.86 1bxb h ILE 70 Cb 0.95 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 38.72 1bxb h ILE 70 CO 0.09 0.32 0.45 0.58 0.00 0.00 0.00 178.15 179.59 1bxb h VAL 71 N -0.04 1.10 -0.25 1.67 2.07 -1.11 -1.13 116.25 118.56 1bxb h VAL 71 Ca 0.03 -0.31 -0.16 0.00 0.82 0.00 0.00 66.70 67.08 1bxb h VAL 71 Cb 0.52 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1bxb h VAL 71 CO 0.02 0.16 -0.51 0.08 0.02 0.00 0.00 177.57 177.34 1bxb h ARG 72 N 0.89 0.70 -0.71 1.57 -0.00 -1.40 0.19 114.38 115.62 1bxb h ARG 72 Ca 0.29 -0.42 -0.03 0.00 -0.00 0.00 0.00 59.98 59.82 1bxb h ARG 72 Cb 0.01 0.04 -0.03 0.00 -0.00 0.00 0.00 29.97 29.99 1bxb h ARG 72 CO -0.11 1.04 0.32 -0.09 -0.00 0.00 0.00 179.97 181.14 1bxb h ARG 73 N 0.55 1.03 -0.41 0.08 1.12 -1.26 -1.19 114.38 114.30 1bxb h ARG 73 Ca 0.02 -0.16 -0.07 0.00 -1.11 0.00 0.00 59.98 58.66 1bxb h ARG 73 Cb 1.08 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.84 1bxb h ARG 73 CO 0.11 0.82 -0.00 0.35 -3.11 0.00 0.00 179.97 178.14 1bxb h PHE 74 N 1.00 0.79 -0.17 2.20 3.57 -0.87 -2.66 116.94 120.80 1bxb h PHE 74 Ca 0.24 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 1bxb h PHE 74 Cb 0.15 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1bxb h PHE 74 CO 0.01 0.80 -0.07 0.87 -2.23 0.00 0.00 178.31 177.68 1bxb h LYS 75 N 0.56 0.26 -0.38 1.11 1.57 -0.46 -2.22 116.57 117.01 1bxb h LYS 75 Ca 0.12 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1bxb h LYS 75 Cb 0.48 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1bxb h LYS 75 CO 0.02 0.35 0.22 -0.22 -0.57 0.00 0.00 179.45 179.26 1bxb h LYS 76 N 0.25 0.44 -0.45 3.15 3.11 -0.88 -0.86 116.57 121.35 1bxb h LYS 76 Ca 0.06 -0.03 -0.07 0.00 -2.81 0.00 0.00 60.65 57.80 1bxb h LYS 76 Cb 0.30 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.41 1bxb h LYS 76 CO 0.01 0.29 -0.01 0.00 -2.81 0.00 0.00 179.45 176.94 1bxb h ALA 77 N 1.17 1.16 -0.43 5.00 0.00 -1.17 0.98 119.26 125.95 1bxb h ALA 77 Ca 0.15 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1bxb h ALA 77 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1bxb h ALA 77 CO -0.07 0.55 -0.04 -0.07 0.00 0.00 0.00 179.25 179.62 1bxb h LEU 78 N 0.68 0.78 0.00 0.00 3.38 -1.17 -0.19 115.31 118.80 1bxb h LEU 78 Ca 0.14 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.79 1bxb h LEU 78 Cb 0.43 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1bxb h LEU 78 CO 0.02 0.92 -0.05 0.44 0.09 0.00 0.00 178.44 179.86 1bxb h ASP 79 N 0.62 -0.14 -0.75 -0.43 3.32 -0.34 0.50 116.42 119.21 1bxb h ASP 79 Ca 0.12 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.23 1bxb h ASP 79 Cb 0.54 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 1bxb h ASP 79 CO 0.03 -0.07 0.46 -0.33 -1.72 0.00 0.00 179.24 177.60 1bxb h GLU 80 N -0.09 0.84 0.00 3.56 5.08 -0.55 -3.17 114.58 120.25 1bxb h GLU 80 Ca 0.02 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.11 1bxb h GLU 80 Cb 0.11 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1bxb h GLU 80 CO -0.05 0.56 -1.64 0.25 -1.00 0.00 0.00 179.01 177.13 1bxb n THR 81 N -4.67 1.26 -0.82 1.13 -2.24 -0.11 -4.98 114.28 103.86 1bxb n THR 81 Ca 0.09 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1bxb n THR 81 Cb 0.13 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 1bxb n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bxb n GLY 82 N 1.47 0.59 3.77 3.38 0.00 0.17 -5.03 105.19 109.55 1bxb n GLY 82 Ca -0.14 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 1bxb n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxb s LEU 83 N 0.00 4.19 0.27 0.99 1.43 -1.18 -4.99 118.68 119.39 1bxb s LEU 83 Ca 0.00 2.28 0.01 0.00 -1.03 0.00 0.00 54.13 55.39 1bxb s LEU 83 Cb 0.00 -4.05 -0.04 0.00 0.03 0.00 0.00 46.19 42.13 1bxb s LEU 83 CO 0.00 -0.63 0.45 -0.54 0.23 0.00 0.00 176.35 175.86 1bxb s LYS 84 N -2.32 3.49 -0.64 1.70 -0.14 -0.79 -4.77 119.74 116.26 1bxb s LYS 84 Ca 0.57 -0.43 -0.04 0.00 -1.36 0.00 0.00 55.97 54.72 1bxb s LYS 84 Cb -0.29 -2.78 0.17 0.00 -1.68 0.00 0.00 37.83 33.25 1bxb s LYS 84 CO 0.36 0.31 0.47 0.08 -0.76 0.00 0.00 175.35 175.81 1bxb s VAL 85 N -2.07 3.86 0.01 3.17 1.01 -1.26 -1.06 120.40 124.06 1bxb s VAL 85 Ca 0.38 -2.95 0.17 0.00 0.00 0.00 0.00 61.98 59.59 1bxb s VAL 85 Cb -0.10 -3.50 0.11 0.00 0.00 0.00 0.00 36.38 32.89 1bxb s VAL 85 CO 0.32 -0.89 1.60 -0.65 0.00 0.00 0.00 175.10 175.47 1bxb h PRO 86 N 7.06 0.00 -3.28 2.72 0.11 -1.88 -3.16 132.00 133.57 1bxb h PRO 86 Ca -0.00 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.92 1bxb h PRO 86 Cb 0.96 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 31.80 1bxb h PRO 86 CO 0.72 0.43 -0.52 1.41 -0.21 0.00 0.00 178.00 179.83 1bxb s MET 87 N -3.28 0.20 0.22 1.05 -2.45 -1.26 -1.36 119.30 112.40 1bxb s MET 87 Ca 0.02 0.28 0.04 0.00 -1.25 0.00 0.00 55.69 54.77 1bxb s MET 87 Cb 0.09 0.06 -0.05 0.00 1.25 0.00 0.00 34.83 36.18 1bxb s MET 87 CO 0.71 -0.05 -0.02 0.14 1.05 0.00 0.00 175.02 176.85 1bxb s VAL 88 N 0.28 1.05 -0.24 10.11 -7.23 -1.00 -2.78 120.40 120.58 1bxb s VAL 88 Ca -0.02 -2.04 -0.26 0.00 -1.81 0.00 0.00 61.98 57.86 1bxb s VAL 88 Cb -0.03 -2.26 0.07 0.00 0.56 0.00 0.00 36.38 34.73 1bxb s VAL 88 CO -0.01 -0.39 0.73 0.28 -0.31 0.00 0.00 175.10 175.39 1bxb s THR 89 N -3.41 0.00 0.36 5.32 -1.32 -0.95 -2.03 115.64 113.61 1bxb s THR 89 Ca 0.26 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.48 1bxb s THR 89 Cb 0.05 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.95 1bxb s THR 89 CO 0.07 0.00 1.16 0.00 -2.21 0.00 0.00 174.62 173.64 1bxb s ALA 90 N 0.18 3.26 -0.60 11.08 0.00 -1.26 -2.75 121.76 131.66 1bxb s ALA 90 Ca -0.01 0.96 -0.28 0.00 0.00 0.00 0.00 51.96 52.63 1bxb s ALA 90 Cb -0.04 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.73 1bxb s ALA 90 CO 0.02 -0.41 1.34 1.21 0.00 0.00 0.00 175.76 177.92 1bxb s ASN 91 N -1.03 6.19 -0.41 0.00 3.84 -1.26 -4.85 114.94 117.43 1bxb s ASN 91 Ca 0.53 0.10 0.05 0.00 0.21 0.00 0.00 52.86 53.75 1bxb s ASN 91 Cb -0.31 -2.55 0.55 0.00 -0.55 0.00 0.00 41.25 38.39 1bxb s ASN 91 CO 0.40 -1.69 1.69 0.18 -2.79 0.00 0.00 177.10 174.89 1bxb n LEU 92 N 9.33 5.68 0.00 3.21 4.77 -1.26 -4.65 117.00 134.08 1bxb n LEU 92 Ca 0.10 -3.89 0.00 0.00 -0.03 0.00 0.00 56.01 52.18 1bxb n LEU 92 Cb 0.49 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1bxb n LEU 92 CO 0.71 1.30 -0.21 2.22 -1.33 0.00 0.00 177.39 180.08 1bxb n PHE 93 N -1.07 0.00 -0.03 -1.77 -1.74 -1.26 -4.63 117.46 106.97 1bxb n PHE 93 Ca 0.48 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 57.22 1bxb n PHE 93 Cb 1.20 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 42.08 1bxb n PHE 93 CO 0.00 0.00 0.00 0.77 -0.56 0.00 0.00 176.76 176.97 1bxb h SER 94 N 0.00 0.19 -2.02 5.98 0.02 -1.97 -3.45 113.55 112.30 1bxb h SER 94 Ca 0.00 -0.84 -0.63 0.00 -0.84 0.00 0.00 61.79 59.49 1bxb h SER 94 Cb 0.33 -0.06 0.04 0.00 0.14 0.00 0.00 62.40 62.86 1bxb h SER 94 CO 0.00 1.00 0.81 -0.67 -1.14 0.00 0.00 176.83 176.84 1bxb n ASP 95 N -4.50 2.81 0.11 3.07 -0.08 -1.26 -4.85 116.55 111.85 1bxb n ASP 95 Ca -0.10 1.06 0.20 0.00 -1.51 0.00 0.00 54.79 54.44 1bxb n ASP 95 Cb 0.52 -1.33 0.74 0.00 2.34 0.00 0.00 41.12 43.39 1bxb n ASP 95 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1bxb h PRO 96 N 6.61 0.00 -0.05 -0.67 0.11 -2.02 -1.03 132.00 134.96 1bxb h PRO 96 Ca -0.47 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1bxb h PRO 96 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1bxb h PRO 96 CO 0.89 0.00 0.04 0.00 -0.21 0.00 0.00 178.00 178.72 1bxb h ALA 97 N 1.44 1.85 -0.25 -0.75 0.00 -1.96 -2.16 119.26 117.44 1bxb h ALA 97 Ca 0.18 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1bxb h ALA 97 Cb 1.09 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1bxb h ALA 97 CO -0.00 -0.06 0.01 1.19 0.00 0.00 0.00 179.25 180.38 1bxb n PHE 98 N -4.24 0.90 0.08 0.00 3.72 -0.39 -4.46 117.46 113.08 1bxb n PHE 98 Ca -0.02 -0.33 0.03 0.00 -0.05 0.00 0.00 57.45 57.08 1bxb n PHE 98 Cb 0.14 -0.28 0.40 0.00 -0.94 0.00 0.00 39.48 38.79 1bxb n PHE 98 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1bxb h LYS 99 N 1.68 0.33 -1.54 -1.08 2.10 -1.57 -1.62 116.57 114.87 1bxb h LYS 99 Ca 0.01 -0.06 -0.62 0.00 -2.00 0.00 0.00 60.65 57.98 1bxb h LYS 99 Cb 1.15 -0.06 -0.40 0.00 -0.90 0.00 0.00 32.23 32.03 1bxb h LYS 99 CO 0.22 0.37 -0.43 -3.47 -2.00 0.00 0.00 179.45 174.14 1bxb n ASP 100 N -4.34 5.20 0.00 7.07 2.03 -1.26 -5.06 116.55 120.19 1bxb n ASP 100 Ca 0.00 -3.74 0.00 0.00 0.52 0.00 0.00 54.79 51.57 1bxb n ASP 100 Cb 0.21 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 1bxb n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1bxb n GLY 101 N -0.51 2.58 0.01 0.27 0.00 -0.61 -3.63 105.19 103.31 1bxb n GLY 101 Ca 0.42 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1bxb n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxb n ALA 102 N 1.02 0.07 0.30 4.61 0.00 -1.26 -3.85 120.51 121.40 1bxb n ALA 102 Ca 0.00 -0.12 0.18 0.00 0.00 0.00 0.00 53.44 53.50 1bxb n ALA 102 Cb 0.00 0.00 0.84 0.00 0.00 0.00 0.00 19.45 20.29 1bxb n ALA 102 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1bxb h PHE 103 N 0.00 0.00 -0.19 0.00 0.04 -1.89 -3.06 116.94 111.84 1bxb h PHE 103 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1bxb h PHE 103 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1bxb h PHE 103 CO 0.00 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 177.96 1bxb n THR 104 N -2.95 1.70 -1.98 -1.55 -2.24 -1.26 -4.44 114.28 101.56 1bxb n THR 104 Ca -0.01 -1.62 -0.41 0.00 -2.27 0.00 0.00 64.05 59.75 1bxb n THR 104 Cb 0.20 0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 1bxb n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1bxb s SER 105 N -1.77 6.55 0.54 3.42 0.15 -1.16 -4.75 113.70 116.69 1bxb s SER 105 Ca 0.29 2.83 0.32 0.00 0.70 0.00 0.00 55.95 60.10 1bxb s SER 105 Cb 0.23 -2.66 1.30 0.00 -1.71 0.00 0.00 66.02 63.18 1bxb s SER 105 CO 0.08 -0.70 1.96 1.55 1.20 0.00 0.00 173.24 177.33 1bxb h PRO 106 N 3.16 0.00 -5.67 5.44 0.13 -1.92 -3.43 132.00 129.71 1bxb h PRO 106 Ca -0.50 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.03 1bxb h PRO 106 Cb 1.23 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.26 1bxb h PRO 106 CO 0.65 0.03 0.32 0.34 -0.23 0.00 0.00 178.00 179.11 1bxb s ASP 107 N -5.77 6.68 0.50 1.44 -1.08 -1.26 -4.96 116.67 112.22 1bxb s ASP 107 Ca 0.01 0.78 0.28 0.00 -0.52 0.00 0.00 52.55 53.10 1bxb s ASP 107 Cb 0.09 -2.39 1.24 0.00 -1.46 0.00 0.00 42.92 40.40 1bxb s ASP 107 CO 0.56 -0.49 1.96 1.55 0.52 0.00 0.00 175.17 179.26 1bxb h PRO 108 N 7.91 0.00 -0.76 4.34 0.13 -2.00 -1.52 132.00 140.10 1bxb h PRO 108 Ca -0.25 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1bxb h PRO 108 Cb 1.11 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.20 1bxb h PRO 108 CO 0.84 0.14 0.43 -1.49 -0.23 0.00 0.00 178.00 177.68 1bxb h TRP 109 N 0.00 1.01 -0.05 1.56 4.06 -1.97 0.65 115.95 121.22 1bxb h TRP 109 Ca -0.00 -0.01 -0.23 0.00 2.06 0.00 0.00 58.89 60.71 1bxb h TRP 109 Cb 0.55 -0.33 0.01 0.00 -1.00 0.00 0.00 29.16 28.39 1bxb h TRP 109 CO 0.00 0.69 -0.91 0.28 -3.56 0.00 0.00 178.44 174.94 1bxb h VAL 110 N 1.05 1.33 -0.30 1.49 2.07 -1.66 -0.13 116.25 120.11 1bxb h VAL 110 Ca 0.27 -2.23 -0.02 0.00 0.82 0.00 0.00 66.70 65.54 1bxb h VAL 110 Cb -0.00 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1bxb h VAL 110 CO -0.05 0.68 0.08 0.03 0.02 0.00 0.00 177.57 178.34 1bxb h ARG 111 N 0.36 0.42 -0.26 1.57 3.08 -1.14 0.01 114.38 118.43 1bxb h ARG 111 Ca -0.08 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 1bxb h ARG 111 Cb 1.54 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.50 1bxb h ARG 111 CO 0.17 0.39 -0.20 0.00 -1.07 0.00 0.00 179.97 179.26 1bxb h ALA 112 N 1.68 0.37 -0.46 0.04 0.00 -0.58 -1.49 119.26 118.82 1bxb h ALA 112 Ca 0.10 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1bxb h ALA 112 Cb 0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1bxb h ALA 112 CO -0.01 0.31 0.24 -0.92 0.00 0.00 0.00 179.25 178.87 1bxb h TYR 113 N 0.31 0.45 -0.65 0.00 3.20 -0.62 0.15 116.97 119.80 1bxb h TYR 113 Ca 0.05 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1bxb h TYR 113 Cb 0.74 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 1bxb h TYR 113 CO 0.07 0.23 0.35 0.00 -1.64 0.00 0.00 178.16 177.18 1bxb h ALA 114 N 1.24 0.83 -0.36 1.82 0.00 -0.88 -0.11 119.26 121.80 1bxb h ALA 114 Ca 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1bxb h ALA 114 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1bxb h ALA 114 CO -0.13 0.35 0.06 1.25 0.00 0.00 0.00 179.25 180.78 1bxb h LEU 115 N 0.88 0.56 -0.00 0.00 5.85 -1.01 -2.22 115.31 119.37 1bxb h LEU 115 Ca 0.23 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1bxb h LEU 115 Cb 0.04 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1bxb h LEU 115 CO -0.04 0.67 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.61 1bxb h ARG 116 N 0.43 -0.06 -0.63 1.25 2.43 -0.62 -0.67 114.38 116.51 1bxb h ARG 116 Ca 0.11 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.42 1bxb h ARG 116 Cb 0.35 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 1bxb h ARG 116 CO 0.01 -0.04 0.43 -0.22 -1.51 0.00 0.00 179.97 178.63 1bxb h LYS 117 N -0.07 0.28 -0.04 0.20 3.64 -0.99 -0.49 116.57 119.10 1bxb h LYS 117 Ca 0.02 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 1bxb h LYS 117 Cb 0.09 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1bxb h LYS 117 CO -0.04 0.18 -0.35 0.77 -2.27 0.00 0.00 179.45 177.74 1bxb h SER 118 N 0.29 0.38 -0.84 4.20 0.02 -0.64 -2.05 113.55 114.90 1bxb h SER 118 Ca 0.30 -0.70 0.09 0.00 -0.84 0.00 0.00 61.79 60.64 1bxb h SER 118 Cb 0.79 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 63.15 1bxb h SER 118 CO -0.07 1.02 0.49 -0.07 -1.14 0.00 0.00 176.83 177.06 1bxb h LEU 119 N -0.24 0.73 -0.72 5.07 3.38 -0.31 -0.73 115.31 122.49 1bxb h LEU 119 Ca -0.03 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1bxb h LEU 119 Cb 1.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1bxb h LEU 119 CO 0.07 0.43 0.19 -0.33 0.09 0.00 0.00 178.44 178.89 1bxb h GLU 120 N 0.85 1.15 -0.16 1.13 5.08 -1.10 -0.82 114.58 120.72 1bxb h GLU 120 Ca 0.39 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 58.37 1bxb h GLU 120 Cb 0.31 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1bxb h GLU 120 CO -0.22 1.00 -0.39 1.15 -1.00 0.00 0.00 179.01 179.55 1bxb h THR 121 N 1.09 1.30 -0.38 1.13 2.02 -1.07 -1.15 112.91 115.86 1bxb h THR 121 Ca 0.23 -1.50 -0.00 0.00 0.77 0.00 0.00 66.41 65.90 1bxb h THR 121 Cb 0.36 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 1bxb h THR 121 CO 0.00 0.46 0.22 0.24 0.37 0.00 0.00 175.52 176.81 1bxb h MET 122 N 0.29 0.52 -0.46 6.66 2.86 -0.52 0.14 114.93 124.43 1bxb h MET 122 Ca 0.03 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1bxb h MET 122 Cb 0.82 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 1bxb h MET 122 CO 0.07 0.41 0.29 -0.44 1.06 0.00 0.00 176.91 178.29 1bxb h ASP 123 N 0.50 0.55 -0.48 1.22 3.32 -0.93 -1.51 116.42 119.09 1bxb h ASP 123 Ca 0.14 -0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.19 1bxb h ASP 123 Cb 0.02 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 1bxb h ASP 123 CO -0.02 0.43 0.22 0.25 -1.72 0.00 0.00 179.24 178.39 1bxb h LEU 124 N 0.62 0.29 -0.83 1.55 5.85 -1.00 -2.05 115.31 119.75 1bxb h LEU 124 Ca 0.17 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 1bxb h LEU 124 Cb -0.03 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1bxb h LEU 124 CO -0.03 0.21 0.19 1.23 -0.34 0.00 0.00 178.44 179.70 1bxb h GLY 125 N 0.43 1.15 1.01 3.75 0.00 -0.71 -2.23 103.07 106.47 1bxb h GLY 125 Ca 0.22 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 1bxb h GLY 125 CO -0.17 0.64 0.53 0.00 0.00 0.00 0.00 176.54 177.54 1bxb h ALA 126 N 1.18 1.10 -0.99 3.60 0.00 -0.68 0.12 119.26 123.60 1bxb h ALA 126 Ca 0.22 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1bxb h ALA 126 Cb 0.32 -0.35 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 1bxb h ALA 126 CO -0.00 0.55 0.62 0.93 0.00 0.00 0.00 179.25 181.35 1bxb h GLU 127 N 1.19 0.96 -0.00 0.00 5.08 -0.81 -2.74 114.58 118.25 1bxb h GLU 127 Ca 0.31 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1bxb h GLU 127 Cb -0.07 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 28.97 1bxb h GLU 127 CO -0.06 0.63 -0.47 1.28 -1.00 0.00 0.00 179.01 179.39 1bxb n LEU 128 N -4.63 0.56 0.00 1.33 4.77 -0.76 -4.95 117.00 113.32 1bxb n LEU 128 Ca 0.19 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1bxb n LEU 128 Cb 0.35 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1bxb n LEU 128 CO 0.27 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1bxb n GLY 129 N 1.48 0.73 3.77 -0.72 0.00 -0.08 -4.49 105.19 105.88 1bxb n GLY 129 Ca 0.06 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 1bxb n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxb s ALA 130 N -2.00 3.05 -0.05 4.61 0.00 0.23 -4.81 121.76 122.80 1bxb s ALA 130 Ca 0.00 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.06 1bxb s ALA 130 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1bxb s ALA 130 CO 0.00 -0.80 0.06 -0.85 0.00 0.00 0.00 175.76 174.17 1bxb n GLU 131 N -0.32 3.55 -5.21 0.00 0.28 -0.56 -4.70 120.64 113.68 1bxb n GLU 131 Ca 0.06 -0.01 -0.30 0.00 -0.16 0.00 0.00 57.16 56.76 1bxb n GLU 131 Cb 0.46 -0.79 -0.16 0.00 1.43 0.00 0.00 31.44 32.38 1bxb n GLU 131 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1bxb s ILE 132 N -1.61 1.91 -0.17 3.84 1.01 -0.47 -1.91 121.20 123.81 1bxb s ILE 132 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.63 1bxb s ILE 132 Cb 0.01 -1.59 0.02 0.00 0.01 0.00 0.00 42.46 40.91 1bxb s ILE 132 CO 0.08 0.54 -0.18 -0.47 0.00 0.00 0.00 174.94 174.91 1bxb s TYR 133 N -0.50 2.59 -0.13 3.97 6.14 -0.64 -2.37 117.35 126.41 1bxb s TYR 133 Ca 0.07 -1.51 -0.10 0.00 0.64 0.00 0.00 57.07 56.16 1bxb s TYR 133 Cb -0.10 -1.82 -0.05 0.00 0.42 0.00 0.00 41.96 40.41 1bxb s TYR 133 CO -0.00 -0.76 0.21 0.08 0.64 0.00 0.00 175.55 175.71 1bxb s VAL 134 N 1.34 5.37 -0.27 3.14 1.01 -0.86 -0.18 120.40 129.95 1bxb s VAL 134 Ca 0.05 0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.36 1bxb s VAL 134 Cb -0.13 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.76 1bxb s VAL 134 CO -0.12 0.52 0.00 -0.69 0.00 0.00 0.00 175.10 174.81 1bxb s VAL 135 N -0.37 3.35 -0.30 2.92 1.01 -0.72 -4.51 120.40 121.78 1bxb s VAL 135 Ca 0.15 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.14 1bxb s VAL 135 Cb -0.13 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 1bxb s VAL 135 CO 0.04 0.13 0.11 0.86 0.00 0.00 0.00 175.10 176.24 1bxb s TRP 136 N 1.39 3.15 -0.86 5.22 -0.00 -1.26 -1.04 118.94 125.54 1bxb s TRP 136 Ca 0.01 -0.69 -0.06 0.00 -0.00 0.00 0.00 56.10 55.35 1bxb s TRP 136 Cb -0.17 -2.30 -0.02 0.00 -0.00 0.00 0.00 33.47 30.98 1bxb s TRP 136 CO -0.01 -0.48 2.87 -0.35 -0.00 0.00 0.00 176.95 178.98 1bxb n PRO 137 N 4.93 3.25 0.23 5.86 -0.04 -1.26 -4.70 135.00 143.28 1bxb n PRO 137 Ca -0.14 -2.38 0.14 0.00 -0.04 0.00 0.00 63.50 61.07 1bxb n PRO 137 Cb 0.49 -2.39 0.77 0.00 -0.04 0.00 0.00 33.50 32.33 1bxb n PRO 137 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1bxb h GLY 138 N 5.27 0.00 -1.11 0.55 0.00 -1.92 -0.63 103.07 105.23 1bxb h GLY 138 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 1bxb h GLY 138 CO 1.11 0.00 -0.14 -2.13 0.00 0.00 0.00 176.54 175.38 1bxb n ARG 139 N -4.15 1.49 -3.07 4.80 3.00 -1.26 -3.95 116.66 113.51 1bxb n ARG 139 Ca -0.01 -1.22 -0.45 0.00 -0.00 0.00 0.00 57.85 56.18 1bxb n ARG 139 Cb 0.20 -1.30 -0.01 0.00 0.00 0.00 0.00 32.46 31.34 1bxb n ARG 139 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1bxb s GLU 140 N -1.61 3.88 0.00 -0.14 0.41 -0.25 -3.09 118.70 117.90 1bxb s GLU 140 Ca 0.17 -2.42 0.00 0.00 -0.41 0.00 0.00 54.97 52.31 1bxb s GLU 140 Cb 0.14 -4.82 0.00 0.00 -1.78 0.00 0.00 34.13 27.66 1bxb s GLU 140 CO 0.29 -1.60 0.00 0.41 -0.49 0.00 0.00 175.26 173.87 1bxb n GLY 141 N 4.26 1.64 3.37 -1.39 0.00 -1.26 -1.28 105.19 110.53 1bxb n GLY 141 Ca 0.27 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 1bxb n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bxb s ALA 142 N -1.00 -1.25 0.00 4.61 0.00 -0.61 -4.87 121.76 118.63 1bxb s ALA 142 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1bxb s ALA 142 Cb 0.00 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.61 1bxb s ALA 142 CO 0.00 -0.55 0.31 -0.85 0.00 0.00 0.00 175.76 174.67 1bxb n GLU 143 N 0.22 -0.57 -3.83 0.00 0.00 -1.26 -2.58 120.64 112.62 1bxb n GLU 143 Ca -0.18 -0.31 -0.30 0.00 0.00 0.00 0.00 57.16 56.37 1bxb n GLU 143 Cb 0.61 -0.81 -0.15 0.00 0.00 0.00 0.00 31.44 31.09 1bxb n GLU 143 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1bxb s VAL 144 N -0.01 1.18 -0.94 3.84 1.01 -1.26 -4.97 120.40 119.25 1bxb s VAL 144 Ca 0.00 -1.32 0.26 0.00 0.00 0.00 0.00 61.98 60.92 1bxb s VAL 144 Cb 0.00 -1.72 0.11 0.00 0.00 0.00 0.00 36.38 34.77 1bxb s VAL 144 CO 0.00 -0.42 1.62 1.21 0.00 0.00 0.00 175.10 177.50 1bxb n GLU 145 N 4.76 0.05 0.17 2.72 4.07 -1.26 -3.90 120.64 127.25 1bxb n GLU 145 Ca -0.05 0.02 0.12 0.00 -0.06 0.00 0.00 57.16 57.19 1bxb n GLU 145 Cb 0.43 -1.54 0.60 0.00 -0.06 0.00 0.00 31.44 30.87 1bxb n GLU 145 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1bxb h ALA 146 N 2.91 1.00 0.00 4.31 0.00 -2.05 -1.86 119.26 123.57 1bxb h ALA 146 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1bxb h ALA 146 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1bxb h ALA 146 CO 0.00 0.00 -0.54 1.79 0.00 0.00 0.00 179.25 180.50 1bxb h THR 147 N 0.00 1.38 -0.07 0.00 1.35 -2.03 -3.47 112.91 110.07 1bxb h THR 147 Ca 0.00 -1.85 -0.03 0.00 -0.55 0.00 0.00 66.41 63.98 1bxb h THR 147 Cb 0.14 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 1bxb h THR 147 CO 0.00 0.53 -0.03 0.61 -0.25 0.00 0.00 175.52 176.38 1bxb n GLY 148 N 0.03 0.51 0.22 5.82 0.00 -0.70 -4.93 105.19 106.14 1bxb n GLY 148 Ca -0.01 -0.83 0.15 0.00 0.00 0.00 0.00 46.02 45.32 1bxb n GLY 148 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1bxb h LYS 149 N 0.16 0.00 0.00 1.61 3.64 -1.90 -2.99 116.57 117.09 1bxb h LYS 149 Ca -0.03 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1bxb h LYS 149 Cb 0.11 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1bxb h LYS 149 CO 0.05 0.00 -0.01 0.00 -2.27 0.00 0.00 179.45 177.22 1bxb h ALA 150 N 2.09 1.26 0.00 5.00 0.00 -1.91 -0.14 119.26 125.56 1bxb h ALA 150 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bxb h ALA 150 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1bxb h ALA 150 CO 0.00 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1bxb h ARG 151 N 0.00 0.00 0.00 0.00 2.47 -1.95 -3.35 114.38 111.55 1bxb h ARG 151 Ca -0.00 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.61 1bxb h ARG 151 Cb 0.04 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 1bxb h ARG 151 CO 0.00 0.00 -2.07 1.63 0.56 0.00 0.00 179.97 180.09 1bxb n LYS 152 N -2.97 0.70 0.24 0.04 5.02 -0.09 -4.60 118.16 116.49 1bxb n LYS 152 Ca 0.04 -0.13 0.12 0.00 -2.02 0.00 0.00 58.31 56.31 1bxb n LYS 152 Cb 0.48 -1.50 0.53 0.00 -0.02 0.00 0.00 35.03 34.53 1bxb n LYS 152 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1bxb h VAL 153 N 0.00 0.44 -0.26 -0.18 -1.51 -1.65 -3.00 116.25 110.10 1bxb h VAL 153 Ca -0.16 -0.94 -0.13 0.00 -1.23 0.00 0.00 66.70 64.23 1bxb h VAL 153 Cb 1.34 1.68 -0.00 0.00 -2.13 0.00 0.00 31.29 32.17 1bxb h VAL 153 CO 0.01 0.17 -0.36 -0.50 -1.23 0.00 0.00 177.57 175.65 1bxb h TRP 154 N 0.00 0.86 -0.49 5.19 4.06 -1.82 -1.41 115.95 122.33 1bxb h TRP 154 Ca -0.00 -0.28 -0.11 0.00 2.06 0.00 0.00 58.89 60.56 1bxb h TRP 154 Cb 0.66 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.64 1bxb h TRP 154 CO 0.00 1.05 -0.12 -0.44 -3.56 0.00 0.00 178.44 175.37 1bxb h ASP 155 N 0.42 0.96 -0.38 -3.49 3.32 -1.86 -1.74 116.42 113.66 1bxb h ASP 155 Ca 0.03 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.72 1bxb h ASP 155 Cb 0.95 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1bxb h ASP 155 CO 0.08 1.09 0.24 -0.50 -1.72 0.00 0.00 179.24 178.44 1bxb h TRP 156 N 0.81 0.48 0.00 4.55 6.55 -1.39 -0.67 115.95 126.27 1bxb h TRP 156 Ca 0.13 0.01 -0.11 0.00 0.95 0.00 0.00 58.89 59.87 1bxb h TRP 156 Cb 0.67 -0.16 -0.02 0.00 -0.86 0.00 0.00 29.16 28.80 1bxb h TRP 156 CO 0.05 0.32 -0.50 -0.24 -1.05 0.00 0.00 178.44 177.02 1bxb h VAL 157 N 0.50 0.97 -0.04 1.49 3.04 -1.22 -2.33 116.25 118.65 1bxb h VAL 157 Ca 0.14 -2.05 -0.00 0.00 -1.01 0.00 0.00 66.70 63.78 1bxb h VAL 157 Cb -0.04 2.25 -0.00 0.00 -2.01 0.00 0.00 31.29 31.50 1bxb h VAL 157 CO -0.03 0.49 0.01 -0.09 -1.01 0.00 0.00 177.57 176.95 1bxb h ARG 158 N 0.00 0.07 -0.37 4.17 2.43 -1.12 -2.40 114.38 117.17 1bxb h ARG 158 Ca -0.01 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1bxb h ARG 158 Cb 1.21 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.70 1bxb h ARG 158 CO 0.07 0.24 0.06 1.49 -1.51 0.00 0.00 179.97 180.32 1bxb h GLU 159 N -0.12 0.18 -0.38 0.20 4.81 -0.92 -0.28 114.58 118.07 1bxb h GLU 159 Ca 0.01 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1bxb h GLU 159 Cb 0.20 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1bxb h GLU 159 CO -0.00 0.12 0.21 0.00 -0.73 0.00 0.00 179.01 178.61 1bxb h ALA 160 N 1.28 0.47 -0.01 2.92 0.00 -1.41 -1.81 119.26 120.70 1bxb h ALA 160 Ca 0.18 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.88 1bxb h ALA 160 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1bxb h ALA 160 CO -0.24 -0.13 -0.85 -0.07 0.00 0.00 0.00 179.25 177.96 1bxb h LEU 161 N 0.44 0.36 -0.47 0.00 3.38 -1.21 -0.14 115.31 117.66 1bxb h LEU 161 Ca 0.15 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1bxb h LEU 161 Cb 0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1bxb h LEU 161 CO -0.08 1.06 -0.03 0.78 0.09 0.00 0.00 178.44 180.26 1bxb h ASN 162 N 0.17 0.84 -0.60 -0.43 2.35 -1.03 -1.56 115.58 115.33 1bxb h ASN 162 Ca -0.05 -0.32 -0.02 0.00 -0.55 0.00 0.00 56.30 55.35 1bxb h ASN 162 Cb 1.47 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 39.58 1bxb h ASN 162 CO 0.14 0.97 0.28 0.15 -1.65 0.00 0.00 177.43 177.31 1bxb h PHE 163 N 0.70 0.87 -0.35 1.19 3.04 -0.82 -0.82 116.94 120.75 1bxb h PHE 163 Ca 0.13 -0.05 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1bxb h PHE 163 Cb 0.55 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 1bxb h PHE 163 CO 0.04 0.67 0.18 0.52 -2.02 0.00 0.00 178.31 177.70 1bxb h MET 164 N 0.82 0.51 -0.31 1.11 2.86 -0.94 -0.06 114.93 118.91 1bxb h MET 164 Ca 0.20 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.67 1bxb h MET 164 Cb 0.14 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1bxb h MET 164 CO -0.02 0.45 -0.25 0.00 1.06 0.00 0.00 176.91 178.14 1bxb h ALA 165 N 1.03 0.99 -0.44 6.32 0.00 -1.11 -1.94 119.26 124.11 1bxb h ALA 165 Ca 0.12 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1bxb h ALA 165 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1bxb h ALA 165 CO -0.02 0.60 -0.21 0.00 0.00 0.00 0.00 179.25 179.62 1bxb h ALA 166 N 1.19 0.80 -0.55 0.00 0.00 -0.86 -2.35 119.26 117.49 1bxb h ALA 166 Ca 0.07 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1bxb h ALA 166 Cb 0.71 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1bxb h ALA 166 CO 0.05 0.65 0.35 -0.92 0.00 0.00 0.00 179.25 179.38 1bxb h TYR 167 N 0.76 0.71 -0.69 0.00 3.20 -0.90 0.27 116.97 120.33 1bxb h TYR 167 Ca 0.10 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 1bxb h TYR 167 Cb 0.75 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 1bxb h TYR 167 CO 0.04 0.47 0.20 0.00 -1.64 0.00 0.00 178.16 177.23 1bxb h ALA 168 N 1.18 0.90 -0.29 1.82 0.00 -1.29 -0.27 119.26 121.32 1bxb h ALA 168 Ca 0.20 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1bxb h ALA 168 Cb -0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1bxb h ALA 168 CO -0.04 0.60 0.14 1.49 0.00 0.00 0.00 179.25 181.44 1bxb h GLU 169 N 1.02 0.28 -0.53 0.00 4.81 -0.93 -0.19 114.58 119.04 1bxb h GLU 169 Ca 0.22 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1bxb h GLU 169 Cb 0.33 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1bxb h GLU 169 CO -0.00 0.19 0.12 0.22 -0.73 0.00 0.00 179.01 178.80 1bxb h ASP 170 N 0.29 0.76 1.09 1.04 3.58 -0.49 -2.40 116.42 120.29 1bxb h ASP 170 Ca 0.12 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1bxb h ASP 170 Cb 0.05 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.90 1bxb h ASP 170 CO -0.09 0.75 -0.36 0.00 -2.88 0.00 0.00 179.24 176.66 1bxb n GLN 171 N -4.27 0.26 -0.80 0.28 1.13 -0.15 -4.94 117.38 108.88 1bxb n GLN 171 Ca 0.04 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 1bxb n GLN 171 Cb 0.23 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 28.86 1bxb n GLN 171 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bxb n GLY 172 N 1.34 0.55 3.77 1.08 0.00 -0.53 -5.04 105.19 106.35 1bxb n GLY 172 Ca 0.04 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 1bxb n GLY 172 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxb s TYR 173 N -2.00 3.39 -0.45 1.61 2.02 -0.20 -4.96 117.35 116.76 1bxb s TYR 173 Ca 0.00 1.65 0.03 0.00 -0.37 0.00 0.00 57.07 58.38 1bxb s TYR 173 Cb 0.00 -3.29 0.64 0.00 -0.40 0.00 0.00 41.96 38.91 1bxb s TYR 173 CO 0.00 -0.77 1.91 0.41 -1.57 0.00 0.00 175.55 175.53 1bxb n GLY 174 N 0.89 4.54 3.76 0.71 0.00 -1.26 -4.54 105.19 109.28 1bxb n GLY 174 Ca 0.01 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1bxb n GLY 174 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxb s TYR 175 N -3.25 2.89 -0.18 1.61 2.02 -1.26 -4.92 117.35 114.26 1bxb s TYR 175 Ca 0.56 1.15 -0.08 0.00 -0.37 0.00 0.00 57.07 58.34 1bxb s TYR 175 Cb 0.47 -3.85 -0.04 0.00 -0.40 0.00 0.00 41.96 38.13 1bxb s TYR 175 CO 0.10 -2.60 0.08 1.03 -1.57 0.00 0.00 175.55 172.59 1bxb s ARG 176 N -1.25 3.94 -0.09 -0.62 0.52 -0.80 -4.97 118.95 115.69 1bxb s ARG 176 Ca 0.55 -0.30 -0.16 0.00 -0.52 0.00 0.00 55.73 55.29 1bxb s ARG 176 Cb -0.43 -3.24 -0.05 0.00 0.52 0.00 0.00 34.95 31.75 1bxb s ARG 176 CO 0.52 0.34 0.42 -0.06 0.02 0.00 0.00 175.30 176.54 1bxb s PHE 177 N 0.20 3.57 -0.23 -0.53 0.40 0.68 -1.62 117.98 120.44 1bxb s PHE 177 Ca 0.05 0.87 0.02 0.00 -0.60 0.00 0.00 56.93 57.27 1bxb s PHE 177 Cb -0.12 -2.44 0.05 0.00 0.51 0.00 0.00 43.02 41.02 1bxb s PHE 177 CO -0.00 0.32 -0.13 0.00 0.70 0.00 0.00 175.22 176.11 1bxb s ALA 178 N 0.10 2.41 0.03 5.36 0.00 0.74 -0.32 121.76 130.08 1bxb s ALA 178 Ca 0.24 -1.55 -0.23 0.00 0.00 0.00 0.00 51.96 50.42 1bxb s ALA 178 Cb -0.15 -1.45 -0.06 0.00 0.00 0.00 0.00 23.12 21.46 1bxb s ALA 178 CO 0.10 -0.96 0.68 -0.51 0.00 0.00 0.00 175.76 175.06 1bxb s LEU 179 N 1.20 4.44 -0.36 0.00 1.02 -0.20 -1.75 118.68 123.03 1bxb s LEU 179 Ca -0.05 1.31 0.01 0.00 0.02 0.00 0.00 54.13 55.42 1bxb s LEU 179 Cb -0.18 -3.07 0.10 0.00 0.02 0.00 0.00 46.19 43.06 1bxb s LEU 179 CO -0.07 0.07 0.10 -0.70 0.02 0.00 0.00 176.35 175.77 1bxb s GLU 180 N -0.20 1.81 0.54 1.70 2.12 -0.21 0.41 118.70 124.86 1bxb s GLU 180 Ca 0.34 -1.78 -0.15 0.00 0.36 0.00 0.00 54.97 53.75 1bxb s GLU 180 Cb -0.19 -3.34 -0.07 0.00 0.26 0.00 0.00 34.13 30.78 1bxb s GLU 180 CO 0.20 -0.95 0.98 -1.25 -0.54 0.00 0.00 175.26 173.70 1bxb s PRO 181 N 1.04 3.84 -0.20 4.30 0.04 -1.26 -4.16 135.00 138.60 1bxb s PRO 181 Ca 0.08 0.86 -0.18 0.00 0.04 0.00 0.00 61.00 61.80 1bxb s PRO 181 Cb -0.21 -2.14 0.05 0.00 0.04 0.00 0.00 34.50 32.25 1bxb s PRO 181 CO -0.06 -0.34 0.52 0.21 0.04 0.00 0.00 177.00 177.38 1bxb s LYS 182 N -4.37 0.61 0.07 4.56 2.20 -1.19 -4.71 119.74 116.91 1bxb s LYS 182 Ca 0.57 0.73 -0.11 0.00 -0.36 0.00 0.00 55.97 56.80 1bxb s LYS 182 Cb -0.10 0.30 -0.26 0.00 -1.51 0.00 0.00 37.83 36.25 1bxb s LYS 182 CO 0.38 -0.07 1.13 -1.00 -0.36 0.00 0.00 175.35 175.43 1bxb h PRO 183 N 5.34 0.53 -3.57 4.03 0.13 -1.77 -3.38 132.00 133.30 1bxb h PRO 183 Ca -0.28 -0.72 -0.08 0.00 -0.87 0.00 0.00 66.00 64.05 1bxb h PRO 183 Cb 1.17 0.24 -0.07 0.00 0.13 0.00 0.00 31.00 32.48 1bxb h PRO 183 CO 0.18 1.32 -0.03 0.54 -0.23 0.00 0.00 178.00 179.77 1bxb s ASN 184 N -7.34 0.11 -0.01 1.44 4.22 -1.26 -0.52 114.94 111.57 1bxb s ASN 184 Ca -0.08 -1.04 -0.01 0.00 -2.14 0.00 0.00 52.86 49.60 1bxb s ASN 184 Cb 0.06 0.66 0.00 0.00 1.28 0.00 0.00 41.25 43.26 1bxb s ASN 184 CO 0.92 -1.29 0.01 1.21 -2.04 0.00 0.00 177.10 175.92 1bxb n GLU 185 N -0.45 -0.99 0.13 3.55 2.13 -1.26 -4.81 120.64 118.95 1bxb n GLU 185 Ca -0.02 1.13 0.12 0.00 0.66 0.00 0.00 57.16 59.04 1bxb n GLU 185 Cb 0.61 -1.47 0.23 0.00 0.27 0.00 0.00 31.44 31.08 1bxb n GLU 185 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1bxb h PRO 186 N 0.83 0.00 -7.03 5.31 0.13 -1.98 -3.49 132.00 125.77 1bxb h PRO 186 Ca -0.03 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.64 1bxb h PRO 186 Cb 0.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.20 1bxb h PRO 186 CO 0.00 0.00 0.36 1.03 -0.23 0.00 0.00 178.00 179.16 1bxb s ARG 187 N -3.18 4.16 0.21 0.86 1.81 -1.26 -4.97 118.95 116.57 1bxb s ARG 187 Ca 0.07 1.26 -0.13 0.00 -1.72 0.00 0.00 55.73 55.21 1bxb s ARG 187 Cb 0.10 -2.29 0.23 0.00 -0.45 0.00 0.00 34.95 32.54 1bxb s ARG 187 CO 0.67 -0.10 1.64 0.78 -0.68 0.00 0.00 175.30 177.60 1bxb h GLY 188 N 2.07 0.46 -5.33 -3.53 0.00 -1.96 -3.40 103.07 91.39 1bxb h GLY 188 Ca -0.49 0.18 -0.34 0.00 0.00 0.00 0.00 47.33 46.69 1bxb h GLY 188 CO 0.61 -0.23 -0.76 0.99 0.00 0.00 0.00 176.54 177.16 1bxb s ASP 189 N -5.23 0.69 -0.16 0.19 1.01 -1.07 -4.60 116.67 107.51 1bxb s ASP 189 Ca -0.14 -0.11 -0.14 0.00 0.71 0.00 0.00 52.55 52.87 1bxb s ASP 189 Cb 0.19 -0.08 -0.05 0.00 1.01 0.00 0.00 42.92 43.99 1bxb s ASP 189 CO 0.73 0.07 0.28 -0.63 0.21 0.00 0.00 175.17 175.84 1bxb s ILE 190 N -0.15 5.31 0.27 0.77 1.01 0.32 -1.58 121.20 127.14 1bxb s ILE 190 Ca 0.02 0.53 -0.01 0.00 0.00 0.00 0.00 60.65 61.19 1bxb s ILE 190 Cb -0.02 -3.62 0.25 0.00 0.01 0.00 0.00 42.46 39.08 1bxb s ILE 190 CO -0.00 0.39 1.81 1.88 0.00 0.00 0.00 174.94 179.02 1bxb h TYR 191 N 6.65 0.98 -2.92 3.97 0.05 -1.50 -3.28 116.97 120.92 1bxb h TYR 191 Ca -0.41 0.03 -0.78 0.00 0.05 0.00 0.00 58.73 57.62 1bxb h TYR 191 Cb 1.16 -0.30 -0.24 0.00 1.01 0.00 0.00 36.73 38.36 1bxb h TYR 191 CO 0.60 0.36 0.88 1.19 -1.05 0.00 0.00 178.16 180.14 1bxb n PHE 192 N -4.71 4.78 0.12 4.88 3.72 -1.26 -4.86 117.46 120.12 1bxb n PHE 192 Ca 0.17 -3.55 0.10 0.00 -0.05 0.00 0.00 57.45 54.12 1bxb n PHE 192 Cb 0.35 -1.84 0.02 0.00 -0.94 0.00 0.00 39.48 37.07 1bxb n PHE 192 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bxb h ALA 193 N 6.64 0.61 -2.37 4.37 0.00 -1.74 -3.15 119.26 123.62 1bxb h ALA 193 Ca 0.24 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1bxb h ALA 193 Cb 0.83 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.51 1bxb h ALA 193 CO 1.16 0.16 -0.57 0.95 0.00 0.00 0.00 179.25 180.95 1bxb s THR 194 N -3.26 0.19 0.26 0.00 -4.23 -1.26 -3.05 115.64 104.29 1bxb s THR 194 Ca 0.01 -1.53 -0.01 0.00 -1.18 0.00 0.00 61.69 58.98 1bxb s THR 194 Cb 0.09 -1.38 0.24 0.00 1.34 0.00 0.00 72.50 72.79 1bxb s THR 194 CO 0.77 -0.84 1.76 0.58 -0.54 0.00 0.00 174.62 176.35 1bxb h VAL 195 N 3.11 0.73 -0.65 2.29 2.07 -1.92 -1.76 116.25 120.12 1bxb h VAL 195 Ca -0.34 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 1bxb h VAL 195 Cb 1.16 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1bxb h VAL 195 CO 0.61 0.11 0.19 1.23 0.02 0.00 0.00 177.57 179.73 1bxb h GLY 196 N 0.61 1.10 0.89 2.17 0.00 -1.96 -0.48 103.07 105.41 1bxb h GLY 196 Ca 0.46 -0.66 0.06 0.00 0.00 0.00 0.00 47.33 47.19 1bxb h GLY 196 CO -0.36 0.62 0.57 0.23 0.00 0.00 0.00 176.54 177.60 1bxb h SER 197 N 0.95 0.87 0.07 0.19 0.87 -1.72 -0.06 113.55 114.72 1bxb h SER 197 Ca 0.21 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.51 1bxb h SER 197 Cb 0.32 -0.18 0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1bxb h SER 197 CO -0.00 0.57 -1.04 0.24 -0.53 0.00 0.00 176.83 176.07 1bxb h MET 198 N 0.99 0.65 -0.55 2.24 0.00 -0.98 -2.63 114.93 114.66 1bxb h MET 198 Ca 0.38 -0.71 0.03 0.00 0.00 0.00 0.00 59.70 59.40 1bxb h MET 198 Cb 0.19 0.20 -0.04 0.00 0.00 0.00 0.00 31.60 31.96 1bxb h MET 198 CO -0.14 1.29 0.33 -0.07 0.00 0.00 0.00 176.91 178.33 1bxb h LEU 199 N 0.36 0.53 -0.71 1.22 3.38 -0.58 -1.71 115.31 117.79 1bxb h LEU 199 Ca -0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1bxb h LEU 199 Cb 1.69 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.30 1bxb h LEU 199 CO 0.20 0.37 0.32 0.00 0.09 0.00 0.00 178.44 179.43 1bxb h ALA 200 N 1.24 0.92 -0.05 1.53 0.00 -1.05 -2.96 119.26 118.89 1bxb h ALA 200 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bxb h ALA 200 Cb 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1bxb h ALA 200 CO -0.10 0.51 0.03 0.35 0.00 0.00 0.00 179.25 180.04 1bxb h PHE 201 N 1.01 0.07 -0.89 0.00 3.57 -1.21 -3.05 116.94 116.43 1bxb h PHE 201 Ca 0.24 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.90 1bxb h PHE 201 Cb 0.15 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.80 1bxb h PHE 201 CO 0.01 0.07 0.57 0.82 -2.23 0.00 0.00 178.31 177.56 1bxb h ILE 202 N 0.05 0.81 0.00 1.41 2.04 -1.15 0.62 117.51 121.28 1bxb h ILE 202 Ca 0.02 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1bxb h ILE 202 Cb 0.02 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1bxb h ILE 202 CO -0.00 0.12 0.00 0.45 0.00 0.00 0.00 178.15 178.71 1bxb h HIS 203 N 0.64 0.00 -0.01 1.37 3.86 -1.49 -1.80 115.15 117.72 1bxb h HIS 203 Ca 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.66 1bxb h HIS 203 Cb 0.79 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.26 1bxb h HIS 203 CO -0.00 0.00 -0.29 0.25 0.86 0.00 0.00 177.93 178.75 1bxb n THR 204 N -2.41 0.00 -1.92 2.45 -2.24 0.21 -4.94 114.28 105.43 1bxb n THR 204 Ca 0.00 -0.17 -0.30 0.00 -2.27 0.00 0.00 64.05 61.31 1bxb n THR 204 Cb 0.16 0.63 0.04 0.00 -2.10 0.00 0.00 70.33 69.06 1bxb n THR 204 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1bxb s LEU 205 N -2.45 2.99 0.14 3.22 1.43 -0.68 -5.00 118.68 118.33 1bxb s LEU 205 Ca 0.24 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.39 1bxb s LEU 205 Cb 0.19 -4.00 -0.04 0.00 0.03 0.00 0.00 46.19 42.37 1bxb s LEU 205 CO 0.51 -1.23 1.47 0.44 0.23 0.00 0.00 176.35 177.78 1bxb h ASP 206 N -0.55 0.99 -2.38 2.29 3.32 -1.92 -3.34 116.42 114.83 1bxb h ASP 206 Ca -0.45 -0.47 -0.60 0.00 0.02 0.00 0.00 57.03 55.53 1bxb h ASP 206 Cb 1.24 -0.28 -0.42 0.00 0.22 0.00 0.00 39.33 40.10 1bxb h ASP 206 CO 0.63 1.26 -0.62 0.54 -1.72 0.00 0.00 179.24 179.33 1bxb n ARG 207 N -4.05 2.24 0.22 3.56 5.12 -1.26 -4.94 116.66 117.55 1bxb n ARG 207 Ca -0.03 -4.53 0.13 0.00 -1.93 0.00 0.00 57.85 51.50 1bxb n ARG 207 Cb 0.56 -2.19 0.75 0.00 -1.16 0.00 0.00 32.46 30.42 1bxb n ARG 207 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1bxb h PRO 208 N 4.45 0.00 0.00 5.56 0.11 -1.80 -1.82 132.00 138.50 1bxb h PRO 208 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1bxb h PRO 208 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1bxb h PRO 208 CO 0.78 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.62 1bxb h GLU 209 N 0.00 0.00 -0.00 1.05 9.09 -1.92 -1.69 114.58 121.11 1bxb h GLU 209 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.46 1bxb h GLU 209 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 1bxb h GLU 209 CO -0.00 0.00 -0.21 0.54 0.05 0.00 0.00 179.01 179.39 1bxb n ARG 210 N -2.77 0.15 -4.94 1.06 5.12 -0.68 -4.89 116.66 109.71 1bxb n ARG 210 Ca 0.01 -0.05 -0.33 0.00 -1.93 0.00 0.00 57.85 55.55 1bxb n ARG 210 Cb 0.26 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 29.92 1bxb n ARG 210 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1bxb s PHE 211 N -2.89 2.66 0.00 -1.55 0.40 -0.64 -0.23 117.98 115.74 1bxb s PHE 211 Ca 0.16 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 1bxb s PHE 211 Cb 0.19 -1.63 0.00 0.00 0.51 0.00 0.00 43.02 42.09 1bxb s PHE 211 CO 0.58 0.12 0.00 0.41 0.70 0.00 0.00 175.22 177.03 1bxb n GLY 212 N 2.43 4.25 3.36 4.36 0.00 0.56 -4.95 105.19 115.19 1bxb n GLY 212 Ca -0.17 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 1bxb n GLY 212 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxb s LEU 213 N 0.00 2.25 -0.64 0.99 1.43 0.17 -1.03 118.68 121.85 1bxb s LEU 213 Ca 0.00 -0.67 0.05 0.00 -1.03 0.00 0.00 54.13 52.48 1bxb s LEU 213 Cb 0.00 -1.20 0.16 0.00 0.03 0.00 0.00 46.19 45.18 1bxb s LEU 213 CO 0.00 0.20 0.43 0.21 0.23 0.00 0.00 176.35 177.42 1bxb s ASN 214 N -1.68 4.46 0.31 2.29 2.47 0.17 -2.32 114.94 120.64 1bxb s ASN 214 Ca 0.12 -3.60 -0.29 0.00 0.42 0.00 0.00 52.86 49.51 1bxb s ASN 214 Cb -0.10 -1.53 -0.10 0.00 -1.45 0.00 0.00 41.25 38.07 1bxb s ASN 214 CO 0.04 -0.12 1.23 -2.84 -3.72 0.00 0.00 177.10 171.69 1bxb s PRO 215 N -1.07 4.46 -0.11 0.43 0.02 -1.26 -4.18 135.00 133.29 1bxb s PRO 215 Ca 0.24 2.06 0.02 0.00 0.02 0.00 0.00 61.00 63.34 1bxb s PRO 215 Cb -0.09 -3.11 -0.01 0.00 0.02 0.00 0.00 34.50 31.31 1bxb s PRO 215 CO -0.13 -0.04 -0.17 -2.00 -0.33 0.00 0.00 177.00 174.33 1bxb s GLU 216 N -1.67 3.15 0.23 5.54 2.12 -1.26 -1.15 118.70 125.65 1bxb s GLU 216 Ca 0.47 -0.75 -0.09 0.00 0.36 0.00 0.00 54.97 54.97 1bxb s GLU 216 Cb -0.37 -2.49 0.37 0.00 0.26 0.00 0.00 34.13 31.90 1bxb s GLU 216 CO 0.48 0.26 1.65 0.35 -0.54 0.00 0.00 175.26 177.47 1bxb h PHE 217 N 6.51 -0.02 -0.16 5.30 3.04 -1.62 -1.84 116.94 128.14 1bxb h PHE 217 Ca -0.27 0.05 -0.13 0.00 3.98 0.00 0.00 57.97 61.61 1bxb h PHE 217 Cb 1.21 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.82 1bxb h PHE 217 CO 0.49 -0.19 -0.44 0.00 -2.02 0.00 0.00 178.31 176.14 1bxb h ALA 218 N 1.63 0.95 0.31 2.41 0.00 -1.84 -2.67 119.26 120.04 1bxb h ALA 218 Ca 0.37 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1bxb h ALA 218 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1bxb h ALA 218 CO -0.59 0.64 -0.15 0.45 0.00 0.00 0.00 179.25 179.60 1bxb h HIS 219 N 0.31 -0.38 -0.68 0.00 3.86 -1.67 0.10 115.15 116.69 1bxb h HIS 219 Ca 0.02 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 1bxb h HIS 219 Cb 0.91 0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.47 1bxb h HIS 219 CO 0.03 -0.18 0.27 0.93 0.86 0.00 0.00 177.93 179.83 1bxb h GLU 220 N -0.50 1.01 0.00 2.45 3.07 -1.50 -2.66 114.58 116.45 1bxb h GLU 220 Ca -0.04 -0.17 -0.11 0.00 -0.50 0.00 0.00 59.36 58.54 1bxb h GLU 220 Cb 0.37 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 1bxb h GLU 220 CO 0.07 0.82 -0.50 1.15 -1.40 0.00 0.00 179.01 179.15 1bxb h THR 221 N 0.99 1.30 -0.90 1.13 2.02 -1.31 -1.61 112.91 114.52 1bxb h THR 221 Ca 0.23 -1.76 0.09 0.00 0.77 0.00 0.00 66.41 65.74 1bxb h THR 221 Cb 0.20 1.97 -0.07 0.00 -1.74 0.00 0.00 68.15 68.51 1bxb h THR 221 CO -0.02 0.49 0.58 0.24 0.37 0.00 0.00 175.52 177.19 1bxb h MET 222 N 0.00 0.89 -0.02 6.66 2.86 -0.41 -0.03 114.93 124.86 1bxb h MET 222 Ca -0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1bxb h MET 222 Cb 0.93 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1bxb h MET 222 CO 0.07 0.59 0.00 0.00 1.06 0.00 0.00 176.91 178.62 1bxb n ALA 223 N -2.40 2.56 -1.00 6.32 0.00 -0.77 -1.55 120.51 123.67 1bxb n ALA 223 Ca 0.15 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1bxb n ALA 223 Cb 0.30 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1bxb n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxb n GLY 224 N 1.19 0.43 3.93 0.00 0.00 -0.03 -4.92 105.19 105.79 1bxb n GLY 224 Ca 0.18 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 1bxb n GLY 224 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxb s LEU 225 N 0.00 3.42 -0.44 0.99 1.43 -0.68 -4.98 118.68 118.43 1bxb s LEU 225 Ca 0.00 0.57 -0.18 0.00 -1.03 0.00 0.00 54.13 53.49 1bxb s LEU 225 Cb 0.00 -3.43 0.03 0.00 0.03 0.00 0.00 46.19 42.82 1bxb s LEU 225 CO 0.00 -0.88 0.50 0.21 0.23 0.00 0.00 176.35 176.41 1bxb s ASN 226 N -4.25 6.22 0.26 2.29 3.84 -1.26 -4.13 114.94 117.90 1bxb s ASN 226 Ca 0.51 -0.65 -0.04 0.00 0.21 0.00 0.00 52.86 52.89 1bxb s ASN 226 Cb -0.10 -2.25 0.31 0.00 -0.55 0.00 0.00 41.25 38.66 1bxb s ASN 226 CO 0.42 -0.66 1.83 0.15 -2.79 0.00 0.00 177.10 176.05 1bxb h PHE 227 N 8.79 1.03 -0.82 0.43 3.57 -1.91 -2.77 116.94 125.26 1bxb h PHE 227 Ca -0.26 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1bxb h PHE 227 Cb 1.11 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 1bxb h PHE 227 CO 0.66 0.79 0.52 0.28 -2.23 0.00 0.00 178.31 178.33 1bxb h VAL 228 N 1.00 1.22 -0.63 1.41 2.07 -1.92 -0.91 116.25 118.49 1bxb h VAL 228 Ca 0.23 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1bxb h VAL 228 Cb 0.20 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 1bxb h VAL 228 CO -0.02 0.22 0.31 0.45 0.02 0.00 0.00 177.57 178.55 1bxb h HIS 229 N 1.12 0.90 -0.53 1.57 3.86 -1.94 -0.78 115.15 119.35 1bxb h HIS 229 Ca 0.30 -0.04 -0.11 0.00 -1.16 0.00 0.00 60.37 59.36 1bxb h HIS 229 Cb -0.09 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.08 1bxb h HIS 229 CO -0.01 0.67 -0.11 0.00 0.86 0.00 0.00 177.93 179.34 1bxb h ALA 230 N 1.14 0.80 -0.21 2.45 0.00 -1.19 -1.73 119.26 120.51 1bxb h ALA 230 Ca 0.22 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1bxb h ALA 230 Cb 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1bxb h ALA 230 CO -0.03 0.67 -0.56 0.28 0.00 0.00 0.00 179.25 179.61 1bxb h VAL 231 N 0.89 1.31 -0.57 0.00 2.07 -1.05 -1.45 116.25 117.44 1bxb h VAL 231 Ca 0.14 -1.79 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 1bxb h VAL 231 Cb 0.67 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1bxb h VAL 231 CO 0.05 0.56 0.26 0.00 0.02 0.00 0.00 177.57 178.46 1bxb h ALA 232 N 0.89 1.38 -0.48 1.67 0.00 -0.99 0.57 119.26 122.29 1bxb h ALA 232 Ca 0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1bxb h ALA 232 Cb 1.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1bxb h ALA 232 CO 0.11 0.48 -0.05 0.37 0.00 0.00 0.00 179.25 180.16 1bxb h GLN 233 N 0.81 0.88 -0.49 0.00 4.15 -0.97 0.37 115.11 119.86 1bxb h GLN 233 Ca 0.20 -0.31 0.01 0.00 0.77 0.00 0.00 58.65 59.32 1bxb h GLN 233 Cb 0.12 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1bxb h GLN 233 CO -0.02 0.95 0.32 0.00 -1.93 0.00 0.00 178.83 178.15 1bxb h ALA 234 N 0.91 0.62 -0.27 3.38 0.00 -0.74 -1.73 119.26 121.43 1bxb h ALA 234 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1bxb h ALA 234 Cb 0.58 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1bxb h ALA 234 CO 0.03 0.07 0.11 -0.07 0.00 0.00 0.00 179.25 179.40 1bxb h LEU 235 N 0.66 0.37 -1.46 0.00 3.38 -0.75 -1.13 115.31 116.38 1bxb h LEU 235 Ca 0.18 -0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.13 1bxb h LEU 235 Cb -0.08 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 1bxb h LEU 235 CO -0.04 0.42 0.51 -0.78 0.09 0.00 0.00 178.44 178.64 1bxb h ASP 236 N 0.29 0.51 0.22 -0.43 3.58 -0.75 -0.92 116.42 118.92 1bxb h ASP 236 Ca 0.09 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.56 1bxb h ASP 236 Cb 0.16 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.13 1bxb h ASP 236 CO -0.01 0.28 -0.05 0.00 -2.88 0.00 0.00 179.24 176.58 1bxb n ALA 237 N -2.48 2.69 -2.36 -0.78 0.00 -0.67 -4.92 120.51 111.99 1bxb n ALA 237 Ca 0.14 -0.27 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 1bxb n ALA 237 Cb 0.45 -1.37 -0.00 0.00 0.00 0.00 0.00 19.45 18.53 1bxb n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bxb n GLY 238 N 1.19 -0.22 0.04 0.00 0.00 -0.35 -4.94 105.19 100.90 1bxb n GLY 238 Ca 0.18 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.99 1bxb n GLY 238 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1bxb n LYS 239 N -2.50 2.13 -2.56 1.61 4.76 -0.49 -4.92 118.16 116.18 1bxb n LYS 239 Ca -0.16 -1.96 -0.41 0.00 -2.87 0.00 0.00 58.31 52.91 1bxb n LYS 239 Cb 0.62 -1.21 -0.03 0.00 -1.84 0.00 0.00 35.03 32.57 1bxb n LYS 239 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1bxb s LEU 240 N -1.81 3.41 0.13 -0.35 2.96 -1.24 0.43 118.68 122.20 1bxb s LEU 240 Ca 0.14 -1.10 0.22 0.00 -0.22 0.00 0.00 54.13 53.18 1bxb s LEU 240 Cb 0.13 -2.56 -0.11 0.00 0.50 0.00 0.00 46.19 44.15 1bxb s LEU 240 CO 0.01 -1.62 0.87 0.49 -1.32 0.00 0.00 176.35 174.78 1bxb n PHE 241 N 9.02 0.66 -3.52 5.38 3.01 -0.98 -4.90 117.46 126.14 1bxb n PHE 241 Ca 0.22 0.19 -0.09 0.00 1.01 0.00 0.00 57.45 58.78 1bxb n PHE 241 Cb 0.50 -0.81 -0.02 0.00 -0.01 0.00 0.00 39.48 39.14 1bxb n PHE 241 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1bxb s HIS 242 N -3.41 -0.36 -0.13 1.38 2.46 -1.06 -4.74 115.29 109.44 1bxb s HIS 242 Ca -0.03 0.19 -0.09 0.00 0.47 0.00 0.00 55.06 55.60 1bxb s HIS 242 Cb 0.11 0.55 0.04 0.00 -0.13 0.00 0.00 32.58 33.15 1bxb s HIS 242 CO 0.83 -0.63 0.32 -1.50 -2.47 0.00 0.00 174.74 171.29 1bxb s ILE 243 N -3.24 -0.02 -0.26 0.89 2.07 -1.25 -3.99 121.20 115.40 1bxb s ILE 243 Ca 0.05 0.06 -0.10 0.00 -1.41 0.00 0.00 60.65 59.25 1bxb s ILE 243 Cb -0.01 -0.47 -0.05 0.00 0.13 0.00 0.00 42.46 42.06 1bxb s ILE 243 CO -0.09 0.03 0.16 -1.81 -1.91 0.00 0.00 174.94 171.32 1bxb s ASP 244 N 0.75 5.99 -0.18 4.50 1.01 -0.30 -2.16 116.67 126.28 1bxb s ASP 244 Ca -0.05 0.04 -0.03 0.00 0.71 0.00 0.00 52.55 53.22 1bxb s ASP 244 Cb -0.06 -2.09 -0.02 0.00 1.01 0.00 0.00 42.92 41.76 1bxb s ASP 244 CO -0.05 0.01 -0.05 -0.76 0.21 0.00 0.00 175.17 174.54 1bxb s LEU 245 N 1.37 3.08 0.00 1.23 1.43 0.27 -1.64 118.68 124.41 1bxb s LEU 245 Ca 0.07 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1bxb s LEU 245 Cb -0.15 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1bxb s LEU 245 CO 0.07 0.10 0.00 -0.46 0.23 0.00 0.00 176.35 176.29 1bxb n ASN 246 N 3.98 0.00 -4.21 2.29 2.04 -1.26 -2.81 115.26 115.28 1bxb n ASN 246 Ca -0.18 -0.62 -0.16 0.00 -0.44 0.00 0.00 54.58 53.19 1bxb n ASN 246 Cb 0.52 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.67 1bxb n ASN 246 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1bxb s ASP 247 N 0.15 0.94 -0.29 0.53 -1.08 -0.53 -4.40 116.67 111.99 1bxb s ASP 247 Ca 0.00 -1.42 -0.21 0.00 -0.52 0.00 0.00 52.55 50.40 1bxb s ASP 247 Cb 0.00 0.27 0.15 0.00 -1.46 0.00 0.00 42.92 41.88 1bxb s ASP 247 CO 0.00 -0.80 1.09 -1.58 0.52 0.00 0.00 175.17 174.41 1bxb s GLN 248 N -4.03 0.36 0.01 4.34 2.00 -1.26 -1.47 119.66 119.61 1bxb s GLN 248 Ca 0.38 0.50 -0.19 0.00 -2.00 0.00 0.00 55.36 54.05 1bxb s GLN 248 Cb 0.07 0.13 -0.06 0.00 0.80 0.00 0.00 33.01 33.95 1bxb s GLN 248 CO 0.14 -0.06 0.55 1.03 -0.50 0.00 0.00 175.29 176.45 1bxb s ARG 249 N 0.66 4.22 0.73 1.67 0.52 -1.26 -4.82 118.95 120.67 1bxb s ARG 249 Ca -0.01 0.66 -0.16 0.00 -0.52 0.00 0.00 55.73 55.70 1bxb s ARG 249 Cb -0.04 -3.30 0.03 0.00 0.52 0.00 0.00 34.95 32.16 1bxb s ARG 249 CO -0.11 0.49 1.24 -1.33 0.02 0.00 0.00 175.30 175.61 1bxb n MET 250 N 2.32 0.66 -3.33 3.54 2.81 -1.26 -4.16 117.12 117.70 1bxb n MET 250 Ca -0.09 0.29 -0.18 0.00 -1.81 0.00 0.00 57.70 55.91 1bxb n MET 250 Cb 0.51 -2.48 0.06 0.00 -0.71 0.00 0.00 33.22 30.61 1bxb n MET 250 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1bxb n SER 251 N -2.52 -5.04 -1.88 7.83 7.64 -0.59 -4.98 113.62 114.08 1bxb n SER 251 Ca 0.15 -0.43 -0.05 0.00 1.01 0.00 0.00 58.87 59.54 1bxb n SER 251 Cb 0.49 -4.06 0.00 0.00 -1.01 0.00 0.00 64.21 59.64 1bxb n SER 251 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1bxb n ARG 252 N -3.96 0.44 -1.53 1.43 0.00 -1.26 -5.09 116.66 106.70 1bxb n ARG 252 Ca -0.02 -1.16 -0.38 0.00 -0.00 0.00 0.00 57.85 56.29 1bxb n ARG 252 Cb 0.56 1.29 0.04 0.00 -0.00 0.00 0.00 32.46 34.34 1bxb n ARG 252 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 1bxb n PHE 253 N -0.26 -0.07 -1.80 2.89 -1.74 -1.26 -4.84 117.46 110.39 1bxb n PHE 253 Ca -0.02 0.45 -0.42 0.00 -0.56 0.00 0.00 57.45 56.89 1bxb n PHE 253 Cb 0.28 -2.03 -0.03 0.00 1.52 0.00 0.00 39.48 39.22 1bxb n PHE 253 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1bxb s ASP 254 N -1.18 6.47 -0.04 5.98 -1.08 -1.26 -4.88 116.67 120.68 1bxb s ASP 254 Ca 0.71 2.45 0.15 0.00 -0.52 0.00 0.00 52.55 55.34 1bxb s ASP 254 Cb -0.44 -2.53 -0.21 0.00 -1.46 0.00 0.00 42.92 38.28 1bxb s ASP 254 CO 0.52 -1.06 0.60 0.00 0.52 0.00 0.00 175.17 175.74 1bxb n GLN 255 N 7.46 0.64 -3.75 4.34 6.02 -1.26 -5.01 117.38 125.83 1bxb n GLN 255 Ca 0.19 0.21 -0.22 0.00 -0.01 0.00 0.00 57.00 57.17 1bxb n GLN 255 Cb 0.42 -1.74 0.02 0.00 1.02 0.00 0.00 30.24 29.96 1bxb n GLN 255 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1bxb n ASP 256 N -2.92 -1.17 -4.83 1.08 8.00 -1.25 -4.83 116.55 110.62 1bxb n ASP 256 Ca -0.17 -0.86 -0.31 0.00 0.71 0.00 0.00 54.79 54.16 1bxb n ASP 256 Cb 1.00 -3.84 0.05 0.00 -0.02 0.00 0.00 41.12 38.31 1bxb n ASP 256 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bxb s LEU 257 N -6.71 3.02 0.34 0.64 1.43 -0.54 -2.33 118.68 114.53 1bxb s LEU 257 Ca 0.02 1.47 -0.28 0.00 -1.03 0.00 0.00 54.13 54.32 1bxb s LEU 257 Cb -0.01 -4.32 -0.12 0.00 0.03 0.00 0.00 46.19 41.76 1bxb s LEU 257 CO 0.83 -1.43 1.20 -1.14 0.23 0.00 0.00 176.35 176.04 1bxb n ARG 258 N -3.11 1.88 -1.74 1.70 0.63 -1.26 -1.45 116.66 113.31 1bxb n ARG 258 Ca 0.07 0.66 -0.42 0.00 -0.92 0.00 0.00 57.85 57.24 1bxb n ARG 258 Cb 0.54 -2.19 -0.02 0.00 0.45 0.00 0.00 32.46 31.25 1bxb n ARG 258 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1bxb n PHE 259 N 0.22 2.76 -0.99 -0.14 7.35 -1.26 -2.54 117.46 122.86 1bxb n PHE 259 Ca 0.06 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 57.05 1bxb n PHE 259 Cb 0.35 -2.57 0.00 0.00 0.35 0.00 0.00 39.48 37.61 1bxb n PHE 259 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1bxb n GLY 260 N 2.03 0.74 0.08 7.13 0.00 -1.26 -4.75 105.19 109.16 1bxb n GLY 260 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 1bxb n GLY 260 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bxb h SER 261 N 0.00 0.00 0.00 1.61 4.64 -1.86 -3.39 113.55 114.56 1bxb h SER 261 Ca 0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.08 1bxb h SER 261 Cb 0.01 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.07 1bxb h SER 261 CO 0.00 0.87 -1.79 -0.62 -0.87 0.00 0.00 176.83 174.42 1bxb n GLU 262 N -3.25 0.30 -3.41 4.77 -0.58 -1.26 -4.90 120.64 112.31 1bxb n GLU 262 Ca -0.03 0.13 -0.36 0.00 -0.42 0.00 0.00 57.16 56.49 1bxb n GLU 262 Cb 0.91 -1.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.73 1bxb n GLU 262 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1bxb n ASN 263 N -3.64 4.70 0.05 1.62 3.02 -1.26 -4.93 115.26 114.83 1bxb n ASN 263 Ca -0.28 -3.29 -0.11 0.00 -0.03 0.00 0.00 54.58 50.86 1bxb n ASN 263 Cb 0.70 -1.01 -0.06 0.00 -0.61 0.00 0.00 39.78 38.80 1bxb n ASN 263 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1bxb h LEU 264 N 5.36 -0.18 -0.63 3.41 3.38 -1.91 -1.13 115.31 123.61 1bxb h LEU 264 Ca 0.18 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1bxb h LEU 264 Cb 0.72 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1bxb h LEU 264 CO 0.98 -0.10 0.28 0.50 0.09 0.00 0.00 178.44 180.20 1bxb h LYS 265 N -0.12 0.93 -0.65 1.13 3.64 -1.94 0.12 116.57 119.68 1bxb h LYS 265 Ca 0.02 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.19 1bxb h LYS 265 Cb 0.14 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1bxb h LYS 265 CO -0.06 0.76 0.15 0.00 -2.27 0.00 0.00 179.45 178.03 1bxb h ALA 266 N 1.12 0.86 -0.22 5.00 0.00 -1.95 -1.95 119.26 122.11 1bxb h ALA 266 Ca 0.21 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1bxb h ALA 266 Cb 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1bxb h ALA 266 CO -0.02 0.58 0.07 0.00 0.00 0.00 0.00 179.25 179.87 1bxb h ALA 267 N 1.06 0.24 -0.59 0.00 0.00 -1.03 -0.36 119.26 118.58 1bxb h ALA 267 Ca 0.20 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.26 1bxb h ALA 267 Cb 0.37 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 1bxb h ALA 267 CO 0.00 -0.35 -0.02 0.35 0.00 0.00 0.00 179.25 179.23 1bxb h PHE 268 N 0.17 -0.09 0.00 0.00 3.57 -0.46 -1.31 116.94 118.82 1bxb h PHE 268 Ca 0.10 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1bxb h PHE 268 Cb 0.07 0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1bxb h PHE 268 CO -0.13 -0.17 -0.30 0.74 -2.23 0.00 0.00 178.31 176.22 1bxb h PHE 269 N 0.09 0.00 -0.04 0.41 0.04 -0.98 -1.80 116.94 114.67 1bxb h PHE 269 Ca 0.30 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.05 1bxb h PHE 269 Cb 0.48 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.63 1bxb h PHE 269 CO -0.37 0.00 -0.07 1.25 -0.60 0.00 0.00 178.31 178.52 1bxb h LEU 270 N 0.00 0.12 -0.67 1.54 5.85 -0.62 -1.14 115.31 120.39 1bxb h LEU 270 Ca 0.00 -0.56 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 1bxb h LEU 270 Cb 0.93 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1bxb h LEU 270 CO 0.00 0.66 0.39 0.58 -0.34 0.00 0.00 178.44 179.73 1bxb h VAL 271 N -0.41 1.20 -0.66 1.05 2.07 -1.17 -0.22 116.25 118.11 1bxb h VAL 271 Ca 0.00 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.10 1bxb h VAL 271 Cb 0.64 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1bxb h VAL 271 CO 0.02 0.22 0.38 -0.78 0.02 0.00 0.00 177.57 177.42 1bxb h ASP 272 N 0.92 0.57 -0.37 0.57 3.58 -1.30 0.05 116.42 120.44 1bxb h ASP 272 Ca 0.24 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.65 1bxb h ASP 272 Cb 0.00 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1bxb h ASP 272 CO -0.04 0.38 -0.01 0.25 -2.88 0.00 0.00 179.24 176.94 1bxb h LEU 273 N 0.71 0.64 -0.30 2.28 5.85 -0.22 -0.39 115.31 123.88 1bxb h LEU 273 Ca 0.29 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1bxb h LEU 273 Cb 0.15 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1bxb h LEU 273 CO -0.17 0.80 0.05 -0.07 -0.34 0.00 0.00 178.44 178.71 1bxb h LEU 274 N 0.47 0.48 -0.50 2.25 3.38 -0.75 -2.53 115.31 118.10 1bxb h LEU 274 Ca 0.10 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.66 1bxb h LEU 274 Cb 0.47 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1bxb h LEU 274 CO 0.02 0.62 -0.36 -0.33 0.09 0.00 0.00 178.44 178.48 1bxb h GLU 275 N 0.32 0.84 -0.00 1.13 4.39 -0.84 -2.91 114.58 117.49 1bxb h GLU 275 Ca 0.09 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1bxb h GLU 275 Cb 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1bxb h GLU 275 CO 0.01 1.06 -0.15 -1.13 -1.16 0.00 0.00 179.01 177.63 1bxb n SER 276 N -4.06 0.65 0.01 1.42 3.41 -0.17 -3.53 113.62 111.34 1bxb n SER 276 Ca -0.02 -0.67 0.11 0.00 -0.26 0.00 0.00 58.87 58.04 1bxb n SER 276 Cb 0.52 -0.01 0.12 0.00 -0.26 0.00 0.00 64.21 64.58 1bxb n SER 276 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1bxb n SER 277 N -0.85 0.64 -1.62 4.04 7.64 -0.96 -4.96 113.62 117.55 1bxb n SER 277 Ca 0.14 -0.38 -0.12 0.00 1.01 0.00 0.00 58.87 59.52 1bxb n SER 277 Cb 0.30 0.52 0.01 0.00 -1.01 0.00 0.00 64.21 64.03 1bxb n SER 277 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bxb n GLY 278 N 1.46 -0.01 3.73 0.23 0.00 -1.20 -4.98 105.19 104.43 1bxb n GLY 278 Ca 0.04 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 1bxb n GLY 278 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bxb s TYR 279 N -2.79 3.07 -0.35 1.61 5.04 -1.15 -4.92 117.35 117.85 1bxb s TYR 279 Ca 0.12 0.88 0.03 0.00 -2.44 0.00 0.00 57.07 55.66 1bxb s TYR 279 Cb -0.05 -3.84 0.02 0.00 0.35 0.00 0.00 41.96 38.44 1bxb s TYR 279 CO 0.15 -2.89 0.55 1.04 -1.34 0.00 0.00 175.55 173.05 1bxb n GLN 280 N 3.12 0.13 -1.42 4.97 1.13 -1.26 -4.93 117.38 119.12 1bxb n GLN 280 Ca 0.10 -0.61 -0.19 0.00 -1.94 0.00 0.00 57.00 54.36 1bxb n GLN 280 Cb 0.40 -1.01 0.13 0.00 0.11 0.00 0.00 30.24 29.86 1bxb n GLN 280 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bxb n GLY 281 N 0.26 -0.97 3.76 1.08 0.00 -1.26 -5.02 105.19 103.05 1bxb n GLY 281 Ca 0.02 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 1bxb n GLY 281 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1bxb s PRO 282 N -4.83 3.70 -0.66 1.61 0.02 -1.26 -4.92 135.00 128.67 1bxb s PRO 282 Ca 0.50 2.07 -0.16 0.00 0.02 0.00 0.00 61.00 63.43 1bxb s PRO 282 Cb -0.02 -2.53 0.15 0.00 0.02 0.00 0.00 34.50 32.12 1bxb s PRO 282 CO 0.35 -0.69 0.66 1.03 -0.33 0.00 0.00 177.00 178.02 1bxb s ARG 283 N -2.54 3.21 -0.12 5.54 3.00 -0.09 -3.86 118.95 124.10 1bxb s ARG 283 Ca 0.62 -1.84 -0.17 0.00 0.00 0.00 0.00 55.73 54.34 1bxb s ARG 283 Cb -0.36 -4.37 -0.04 0.00 0.00 0.00 0.00 34.95 30.18 1bxb s ARG 283 CO 0.45 -1.39 0.43 -1.58 0.00 0.00 0.00 175.30 173.21 1bxb s HIS 284 N 1.50 3.51 -1.00 -0.53 2.46 -0.92 -1.39 115.29 118.92 1bxb s HIS 284 Ca 0.11 0.82 -0.14 0.00 0.47 0.00 0.00 55.06 56.33 1bxb s HIS 284 Cb -0.22 -2.50 0.21 0.00 -0.13 0.00 0.00 32.58 29.95 1bxb s HIS 284 CO -0.00 0.20 1.06 -0.06 -2.47 0.00 0.00 174.74 173.46 1bxb s PHE 285 N 0.54 3.72 -1.30 3.88 0.08 -0.89 0.94 117.98 124.95 1bxb s PHE 285 Ca 0.24 -2.08 -0.16 0.00 0.12 0.00 0.00 56.93 55.05 1bxb s PHE 285 Cb -0.15 -4.01 0.10 0.00 -0.57 0.00 0.00 43.02 38.38 1bxb s PHE 285 CO 0.09 -1.16 1.76 -3.47 -0.10 0.00 0.00 175.22 172.34 1bxb n ASP 286 N 4.48 4.84 -3.47 1.36 -0.08 -1.12 -4.57 116.55 117.98 1bxb n ASP 286 Ca 0.23 -2.93 -0.11 0.00 -1.51 0.00 0.00 54.79 50.47 1bxb n ASP 286 Cb 0.45 -1.68 -0.03 0.00 2.34 0.00 0.00 41.12 42.20 1bxb n ASP 286 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bxb s ALA 287 N 3.18 -0.10 0.13 -1.67 0.00 -1.26 -4.75 121.76 117.28 1bxb s ALA 287 Ca 0.49 -1.02 -0.09 0.00 0.00 0.00 0.00 51.96 51.35 1bxb s ALA 287 Cb 0.04 0.98 -0.01 0.00 0.00 0.00 0.00 23.12 24.14 1bxb s ALA 287 CO 0.03 -0.88 0.25 -3.38 0.00 0.00 0.00 175.76 171.77 1bxb s HIS 288 N -3.27 0.30 0.72 0.00 -3.43 -0.98 -4.35 115.29 104.28 1bxb s HIS 288 Ca 0.22 -0.69 -0.14 0.00 -0.80 0.00 0.00 55.06 53.66 1bxb s HIS 288 Cb -0.02 -0.06 0.03 0.00 -1.43 0.00 0.00 32.58 31.11 1bxb s HIS 288 CO 0.13 -0.65 1.13 0.00 -2.00 0.00 0.00 174.74 173.36 1bxb s ALA 289 N -3.92 2.25 0.62 -1.38 0.00 -1.26 -4.54 121.76 113.52 1bxb s ALA 289 Ca 0.12 0.57 -0.19 0.00 0.00 0.00 0.00 51.96 52.46 1bxb s ALA 289 Cb 0.04 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1bxb s ALA 289 CO -0.04 -1.66 1.28 1.28 0.00 0.00 0.00 175.76 176.62 1bxb n LEU 290 N -2.89 5.73 0.00 0.00 4.77 -1.26 -4.88 117.00 118.47 1bxb n LEU 290 Ca 0.11 0.87 0.05 0.00 -0.03 0.00 0.00 56.01 57.01 1bxb n LEU 290 Cb 0.52 -1.55 0.23 0.00 -2.33 0.00 0.00 43.42 40.29 1bxb n LEU 290 CO 0.49 -0.96 0.65 -1.14 -1.33 0.00 0.00 177.39 175.10 1bxb n ARG 291 N -1.60 0.03 -0.02 3.23 0.63 -1.26 -2.17 116.66 115.51 1bxb n ARG 291 Ca 0.14 0.29 0.13 0.00 -0.92 0.00 0.00 57.85 57.50 1bxb n ARG 291 Cb 0.47 -1.50 0.64 0.00 0.45 0.00 0.00 32.46 32.52 1bxb n ARG 291 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1bxb n THR 292 N -1.46 0.04 -4.09 5.15 -2.24 -1.26 -4.92 114.28 105.50 1bxb n THR 292 Ca 0.03 -0.13 -0.34 0.00 -2.27 0.00 0.00 64.05 61.34 1bxb n THR 292 Cb 0.11 -0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.25 1bxb n THR 292 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1bxb s GLU 293 N -1.96 3.13 0.00 -0.78 0.41 -0.92 -5.10 118.70 113.47 1bxb s GLU 293 Ca 0.38 -0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.51 1bxb s GLU 293 Cb 0.19 -2.91 0.00 0.00 -1.78 0.00 0.00 34.13 29.63 1bxb s GLU 293 CO 0.30 0.67 0.00 -0.40 -0.49 0.00 0.00 175.26 175.34 1bxb n ASP 294 N 1.35 0.00 0.19 -0.19 5.68 -1.26 -4.86 116.55 117.45 1bxb n ASP 294 Ca -0.14 -0.82 0.04 0.00 -0.50 0.00 0.00 54.79 53.37 1bxb n ASP 294 Cb 0.53 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.87 1bxb n ASP 294 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1bxb h GLU 295 N 0.00 0.00 -0.58 0.11 4.81 -2.00 -1.62 114.58 115.30 1bxb h GLU 295 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1bxb h GLU 295 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1bxb h GLU 295 CO 0.00 0.39 0.05 0.93 -0.73 0.00 0.00 179.01 179.65 1bxb h GLU 296 N 0.00 0.96 -0.12 1.92 3.07 -2.00 -2.31 114.58 116.10 1bxb h GLU 296 Ca -0.00 -0.26 -0.05 0.00 -0.50 0.00 0.00 59.36 58.54 1bxb h GLU 296 Cb 0.77 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.56 1bxb h GLU 296 CO 0.05 0.92 -0.17 0.78 -1.40 0.00 0.00 179.01 179.18 1bxb h GLY 297 N 1.01 0.20 0.94 -3.84 0.00 -1.66 -2.11 103.07 97.61 1bxb h GLY 297 Ca 0.17 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.39 1bxb h GLY 297 CO 0.02 0.12 0.25 -2.08 0.00 0.00 0.00 176.54 174.85 1bxb h VAL 298 N 0.18 1.06 0.00 4.60 2.07 -0.95 0.06 116.25 123.27 1bxb h VAL 298 Ca 0.03 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 1bxb h VAL 298 Cb 0.42 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1bxb h VAL 298 CO 0.03 0.09 -0.17 -0.50 0.02 0.00 0.00 177.57 177.04 1bxb h TRP 299 N 0.51 0.00 -0.19 1.57 4.06 -1.25 -1.56 115.95 119.09 1bxb h TRP 299 Ca 0.16 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.01 1bxb h TRP 299 Cb -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.14 1bxb h TRP 299 CO -0.06 0.17 -0.25 0.00 -3.56 0.00 0.00 178.44 174.74 1bxb h ALA 300 N 1.83 0.28 -0.34 1.49 0.00 -1.02 -0.96 119.26 120.55 1bxb h ALA 300 Ca -0.00 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 54.60 1bxb h ALA 300 Cb 0.80 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 1bxb h ALA 300 CO 0.02 0.26 -0.27 0.35 0.00 0.00 0.00 179.25 179.61 1bxb h PHE 301 N 0.16 -0.73 -0.47 0.00 3.57 -0.79 -0.22 116.94 118.46 1bxb h PHE 301 Ca 0.02 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1bxb h PHE 301 Cb 0.81 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1bxb h PHE 301 CO 0.09 -0.34 0.25 0.00 -2.23 0.00 0.00 178.31 176.08 1bxb h ALA 302 N 0.84 0.60 -0.59 2.41 0.00 -1.12 -2.05 119.26 119.35 1bxb h ALA 302 Ca 0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1bxb h ALA 302 Cb 0.50 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1bxb h ALA 302 CO -0.47 0.13 0.24 0.00 0.00 0.00 0.00 179.25 179.14 1bxb h ARG 303 N 0.62 0.89 -0.41 0.00 3.08 -1.05 -2.87 114.38 114.64 1bxb h ARG 303 Ca 0.17 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1bxb h ARG 303 Cb 0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1bxb h ARG 303 CO -0.03 0.76 0.02 0.78 -1.07 0.00 0.00 179.97 180.44 1bxb h GLY 304 N 0.82 0.69 0.36 0.04 0.00 -0.72 -1.39 103.07 102.87 1bxb h GLY 304 Ca 0.20 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.13 1bxb h GLY 304 CO -0.02 0.39 -0.35 0.00 0.00 0.00 0.00 176.54 176.56 1bxb h MET 306 N -0.56 0.70 -0.22 0.00 2.86 -1.50 -2.45 114.93 113.76 1bxb h MET 306 Ca 0.04 -0.31 -0.05 0.00 -2.06 0.00 0.00 59.70 57.31 1bxb h MET 306 Cb 0.61 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1bxb h MET 306 CO -0.22 0.91 -0.06 -0.09 1.06 0.00 0.00 176.91 178.51 1bxb h ARG 307 N 0.60 0.43 -0.80 1.72 2.43 -1.16 -1.85 114.38 115.75 1bxb h ARG 307 Ca 0.07 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1bxb h ARG 307 Cb 0.81 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.30 1bxb h ARG 307 CO 0.07 0.68 0.49 1.15 -1.51 0.00 0.00 179.97 180.85 1bxb h THR 308 N 0.16 1.22 -0.90 0.20 2.02 -1.16 -0.65 112.91 113.80 1bxb h THR 308 Ca 0.06 -0.48 0.04 0.00 0.77 0.00 0.00 66.41 66.79 1bxb h THR 308 Cb 0.52 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 66.97 1bxb h THR 308 CO 0.02 0.23 0.58 0.22 0.37 0.00 0.00 175.52 176.95 1bxb h TYR 309 N 1.10 1.09 -0.01 3.16 5.03 -1.21 -1.57 116.97 124.56 1bxb h TYR 309 Ca 0.29 0.03 -0.21 0.00 2.58 0.00 0.00 58.73 61.42 1bxb h TYR 309 Cb -0.05 -0.36 -0.00 0.00 1.55 0.00 0.00 36.73 37.86 1bxb h TYR 309 CO -0.01 0.62 -0.87 -0.07 -1.32 0.00 0.00 178.16 176.51 1bxb h LEU 310 N 1.12 0.40 -0.66 2.82 3.38 -0.69 -0.67 115.31 121.01 1bxb h LEU 310 Ca 0.36 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1bxb h LEU 310 Cb 0.02 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1bxb h LEU 310 CO -0.13 1.10 0.22 0.40 0.09 0.00 0.00 178.44 180.13 1bxb h ILE 311 N 0.18 1.25 -0.25 1.22 2.04 -0.90 -2.57 117.51 118.49 1bxb h ILE 311 Ca -0.06 -0.83 -0.15 0.00 1.00 0.00 0.00 64.86 64.82 1bxb h ILE 311 Cb 1.49 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1bxb h ILE 311 CO 0.14 0.32 -0.46 -0.07 0.00 0.00 0.00 178.15 178.09 1bxb h LEU 312 N 0.95 0.68 -0.33 1.44 3.38 -1.11 -1.55 115.31 118.78 1bxb h LEU 312 Ca 0.22 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1bxb h LEU 312 Cb 0.27 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1bxb h LEU 312 CO -0.01 1.04 0.22 0.50 0.09 0.00 0.00 178.44 180.28 1bxb h LYS 313 N 0.51 0.44 -0.50 1.13 3.64 -1.07 0.15 116.57 120.87 1bxb h LYS 313 Ca 0.03 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1bxb h LYS 313 Cb 0.99 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 1bxb h LYS 313 CO 0.09 0.30 0.12 1.49 -2.27 0.00 0.00 179.45 179.18 1bxb h GLU 314 N 0.44 0.79 -0.53 1.90 4.81 -1.30 -2.54 114.58 118.15 1bxb h GLU 314 Ca 0.12 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 59.07 1bxb h GLU 314 Cb -0.04 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1bxb h GLU 314 CO -0.03 0.77 -0.02 -0.09 -0.73 0.00 0.00 179.01 178.91 1bxb h ARG 315 N 0.68 0.92 -0.70 1.92 9.65 -1.07 -2.23 114.38 123.56 1bxb h ARG 315 Ca 0.16 -0.28 -0.04 0.00 -1.10 0.00 0.00 59.98 58.71 1bxb h ARG 315 Cb 0.33 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.79 1bxb h ARG 315 CO 0.00 0.93 0.27 0.00 2.80 0.00 0.00 179.97 183.97 1bxb h ALA 316 N 1.12 1.16 -0.44 2.80 0.00 -0.84 -0.19 119.26 122.87 1bxb h ALA 316 Ca 0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1bxb h ALA 316 Cb 0.53 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1bxb h ALA 316 CO 0.03 0.60 0.17 0.93 0.00 0.00 0.00 179.25 180.99 1bxb h GLU 317 N 1.01 0.66 -0.46 0.00 5.08 -0.99 -2.18 114.58 117.69 1bxb h GLU 317 Ca 0.23 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1bxb h GLU 317 Cb 0.21 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1bxb h GLU 317 CO -0.02 0.60 -0.06 0.00 -1.00 0.00 0.00 179.01 178.54 1bxb h ALA 318 N 1.02 1.03 -0.19 3.43 0.00 -1.10 -2.86 119.26 120.60 1bxb h ALA 318 Ca 0.15 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1bxb h ALA 318 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1bxb h ALA 318 CO -0.01 0.59 0.10 0.35 0.00 0.00 0.00 179.25 180.28 1bxb h PHE 319 N 0.73 0.27 0.00 0.00 3.57 -0.85 -2.90 116.94 117.76 1bxb h PHE 319 Ca 0.13 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1bxb h PHE 319 Cb 0.53 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1bxb h PHE 319 CO 0.03 0.25 -0.03 0.00 -2.23 0.00 0.00 178.31 176.33 1bxb h ARG 320 N 0.21 0.00 -0.34 1.11 2.47 -1.18 -2.44 114.38 114.20 1bxb h ARG 320 Ca 0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1bxb h ARG 320 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1bxb h ARG 320 CO -0.01 0.03 0.00 0.39 0.56 0.00 0.00 179.97 180.94 1bxb n GLU 321 N -3.23 2.32 -2.09 0.04 -0.58 -1.12 -4.71 120.64 111.27 1bxb n GLU 321 Ca -0.02 -2.13 -0.42 0.00 -0.42 0.00 0.00 57.16 54.18 1bxb n GLU 321 Cb 0.18 -1.44 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 1bxb n GLU 321 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1bxb s ASP 322 N -1.34 6.74 0.35 1.62 -1.08 -0.92 -4.91 116.67 117.14 1bxb s ASP 322 Ca 0.33 2.48 0.08 0.00 -0.52 0.00 0.00 52.55 54.93 1bxb s ASP 322 Cb 0.20 -2.60 0.65 0.00 -1.46 0.00 0.00 42.92 39.71 1bxb s ASP 322 CO 0.27 -0.68 1.83 1.55 0.52 0.00 0.00 175.17 178.66 1bxb h PRO 323 N 6.19 0.24 -0.12 4.34 0.13 -1.92 -1.77 132.00 139.09 1bxb h PRO 323 Ca -0.43 -0.08 -0.21 0.00 -0.87 0.00 0.00 66.00 64.41 1bxb h PRO 323 Cb 1.21 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1bxb h PRO 323 CO 0.84 0.47 -0.76 1.49 -0.23 0.00 0.00 178.00 179.82 1bxb h GLU 324 N 0.22 0.63 -0.53 0.86 4.81 -1.97 -2.01 114.58 116.58 1bxb h GLU 324 Ca 0.04 -0.51 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1bxb h GLU 324 Cb 0.55 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 1bxb h GLU 324 CO 0.04 1.13 0.32 0.28 -0.73 0.00 0.00 179.01 180.06 1bxb h VAL 325 N 0.43 1.16 -0.72 0.32 2.07 -1.85 -0.19 116.25 117.47 1bxb h VAL 325 Ca -0.04 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 1bxb h VAL 325 Cb 1.37 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1bxb h VAL 325 CO 0.15 0.16 0.30 0.11 0.02 0.00 0.00 177.57 178.31 1bxb h LYS 326 N 0.71 1.05 -0.40 1.57 1.79 -1.25 -0.76 116.57 119.27 1bxb h LYS 326 Ca 0.19 -0.17 -0.16 0.00 -2.18 0.00 0.00 60.65 58.34 1bxb h LYS 326 Cb -0.02 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.44 1bxb h LYS 326 CO -0.04 0.84 -0.36 1.49 -1.08 0.00 0.00 179.45 180.30 1bxb h GLU 327 N 1.03 0.95 -0.40 3.15 4.81 -1.04 -0.63 114.58 122.46 1bxb h GLU 327 Ca 0.24 -0.49 -0.12 0.00 -0.13 0.00 0.00 59.36 58.86 1bxb h GLU 327 Cb 0.17 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1bxb h GLU 327 CO -0.02 1.15 -0.24 -0.07 -0.73 0.00 0.00 179.01 179.09 1bxb h LEU 328 N 0.78 0.82 -0.42 1.64 3.38 -0.61 -2.74 115.31 118.16 1bxb h LEU 328 Ca 0.07 -0.31 -0.16 0.00 0.09 0.00 0.00 57.88 57.57 1bxb h LEU 328 Cb 0.95 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1bxb h LEU 328 CO 0.09 1.03 -0.77 -0.07 0.09 0.00 0.00 178.44 178.81 1bxb h LEU 329 N 0.70 0.00 -0.45 1.67 3.38 -0.93 0.38 115.31 120.05 1bxb h LEU 329 Ca 0.09 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 1bxb h LEU 329 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1bxb h LEU 329 CO 0.06 0.77 -0.45 0.00 0.09 0.00 0.00 178.44 178.91 1bxb h ALA 330 N 1.23 0.63 -0.19 1.53 0.00 -1.04 -1.34 119.26 120.07 1bxb h ALA 330 Ca -0.01 -0.48 -0.19 0.00 0.00 0.00 0.00 54.91 54.24 1bxb h ALA 330 Cb 1.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1bxb h ALA 330 CO 0.10 0.67 -0.64 0.00 0.00 0.00 0.00 179.25 179.38 1bxb h ALA 331 N 0.86 0.50 -0.70 0.00 0.00 -1.32 -2.45 119.26 116.15 1bxb h ALA 331 Ca 0.04 -0.55 0.10 0.00 0.00 0.00 0.00 54.91 54.49 1bxb h ALA 331 Cb 1.03 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1bxb h ALA 331 CO 0.10 0.70 0.33 -0.92 0.00 0.00 0.00 179.25 179.46 1bxb h TYR 332 N 0.51 0.60 -0.65 0.00 3.20 -0.72 -2.67 116.97 117.24 1bxb h TYR 332 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1bxb h TYR 332 Cb 1.23 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.34 1bxb h TYR 332 CO 0.07 0.20 0.00 0.66 -1.64 0.00 0.00 178.16 177.44 1bxb n TYR 333 N -4.89 1.39 -1.62 -3.82 4.01 -0.52 -4.98 117.16 106.73 1bxb n TYR 333 Ca 0.11 -0.60 -0.59 0.00 -0.16 0.00 0.00 57.90 56.66 1bxb n TYR 333 Cb 0.29 -0.21 -0.08 0.00 -0.31 0.00 0.00 39.34 39.03 1bxb n TYR 333 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1bxb n GLN 334 N 1.18 0.47 -3.93 -0.72 -0.06 -0.93 -4.95 117.38 108.44 1bxb n GLN 334 Ca 0.25 0.17 -0.30 0.00 -2.00 0.00 0.00 57.00 55.12 1bxb n GLN 334 Cb 0.85 -1.74 -0.16 0.00 -4.06 0.00 0.00 30.24 25.13 1bxb n GLN 334 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1bxb s GLU 335 N 1.43 1.58 -0.04 3.69 2.02 -1.26 -5.10 118.70 121.01 1bxb s GLU 335 Ca 0.94 -0.92 -0.30 0.00 0.02 0.00 0.00 54.97 54.71 1bxb s GLU 335 Cb -1.22 -2.52 -0.05 0.00 0.10 0.00 0.00 34.13 30.44 1bxb s GLU 335 CO 0.62 -0.58 1.53 0.34 0.02 0.00 0.00 175.26 177.19 1bxb s ASP 336 N 1.43 6.75 0.46 -0.19 -1.08 -1.26 -4.94 116.67 117.84 1bxb s ASP 336 Ca -0.05 2.15 0.11 0.00 -0.52 0.00 0.00 52.55 54.24 1bxb s ASP 336 Cb -0.18 -2.54 1.03 0.00 -1.46 0.00 0.00 42.92 39.76 1bxb s ASP 336 CO -0.06 -0.84 2.09 -0.65 0.52 0.00 0.00 175.17 176.22 1bxb h PRO 337 N 8.76 0.28 -0.58 4.34 0.11 -1.99 -0.12 132.00 142.81 1bxb h PRO 337 Ca -0.37 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.66 1bxb h PRO 337 Cb 1.17 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1bxb h PRO 337 CO 0.94 0.21 0.13 0.00 -0.21 0.00 0.00 178.00 179.06 1bxb h ALA 338 N 1.85 1.14 -0.13 -0.75 0.00 -2.00 -1.97 119.26 117.40 1bxb h ALA 338 Ca 0.08 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1bxb h ALA 338 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1bxb h ALA 338 CO -0.01 0.58 -0.42 0.00 0.00 0.00 0.00 179.25 179.39 1bxb h ALA 339 N 1.28 0.22 -0.29 0.00 0.00 -1.53 -3.25 119.26 115.68 1bxb h ALA 339 Ca 0.18 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 54.69 1bxb h ALA 339 Cb 0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1bxb h ALA 339 CO 0.00 0.34 0.20 -0.07 0.00 0.00 0.00 179.25 179.73 1bxb h LEU 340 N 0.12 0.07 -1.05 0.00 4.07 -0.84 -1.75 115.31 115.93 1bxb h LEU 340 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1bxb h LEU 340 Cb 1.05 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.78 1bxb h LEU 340 CO 0.09 0.05 0.00 0.00 -1.08 0.00 0.00 178.44 177.50 1bxb h ALA 341 N 1.85 1.00 -0.00 1.53 0.00 -1.39 -1.75 119.26 120.50 1bxb h ALA 341 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1bxb h ALA 341 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1bxb h ALA 341 CO -0.01 0.00 -0.40 1.28 0.00 0.00 0.00 179.25 180.12 1bxb n LEU 342 N -2.70 0.65 -4.86 0.00 4.77 -0.66 -4.94 117.00 109.27 1bxb n LEU 342 Ca 0.01 -0.07 -0.26 0.00 -0.03 0.00 0.00 56.01 55.66 1bxb n LEU 342 Cb 0.28 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1bxb n LEU 342 CO 0.24 0.14 -0.02 -0.76 -1.33 0.00 0.00 177.39 175.66 1bxb s LEU 343 N -2.83 2.78 0.00 2.23 1.43 -0.66 -4.91 118.68 116.73 1bxb s LEU 343 Ca 0.16 -1.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.04 1bxb s LEU 343 Cb 0.18 -1.26 0.00 0.00 0.03 0.00 0.00 46.19 45.15 1bxb s LEU 343 CO 0.63 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.87 1bxb n GLY 344 N -1.61 -1.22 3.73 -3.19 0.00 -1.26 -4.99 105.19 96.65 1bxb n GLY 344 Ca -0.03 -2.06 -0.40 0.00 0.00 0.00 0.00 46.02 43.52 1bxb n GLY 344 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1bxb n PRO 345 N 0.00 2.12 -1.75 1.61 -0.02 -1.26 -4.94 135.00 130.76 1bxb n PRO 345 Ca 0.00 0.75 -0.39 0.00 -2.02 0.00 0.00 63.50 61.85 1bxb n PRO 345 Cb 0.00 -2.52 0.04 0.00 -0.02 0.00 0.00 33.50 31.01 1bxb n PRO 345 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 1bxb n TYR 346 N -0.18 2.38 0.05 6.00 9.36 -1.26 -4.97 117.16 128.54 1bxb n TYR 346 Ca 0.06 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.71 1bxb n TYR 346 Cb 0.40 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.74 1bxb n TYR 346 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1bxb n SER 347 N -0.92 0.63 0.00 2.98 2.88 -1.26 -5.02 113.62 112.91 1bxb n SER 347 Ca 0.10 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1bxb n SER 347 Cb 0.44 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1bxb n SER 347 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1bxb n ARG 348 N -3.35 0.00 0.12 -1.46 3.00 -1.26 -4.73 116.66 108.98 1bxb n ARG 348 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 1bxb n ARG 348 Cb 0.10 0.00 0.15 0.00 0.00 0.00 0.00 32.46 32.71 1bxb n ARG 348 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 1bxb h GLU 349 N 0.00 0.10 -0.28 -0.14 4.11 -1.98 -0.36 114.58 116.02 1bxb h GLU 349 Ca 0.00 -0.07 -0.14 0.00 0.07 0.00 0.00 59.36 59.22 1bxb h GLU 349 Cb 0.00 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1bxb h GLU 349 CO 0.00 0.68 -0.37 0.87 0.07 0.00 0.00 179.01 180.25 1bxb h LYS 350 N 0.07 0.75 -0.66 1.06 1.57 -1.95 -1.71 116.57 115.71 1bxb h LYS 350 Ca -0.01 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1bxb h LYS 350 Cb 1.09 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 1bxb h LYS 350 CO 0.09 1.05 0.39 0.00 -0.57 0.00 0.00 179.45 180.41 1bxb h ALA 351 N 0.68 1.45 0.03 3.86 0.00 -1.86 0.17 119.26 123.59 1bxb h ALA 351 Ca 0.03 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1bxb h ALA 351 Cb 0.96 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1bxb h ALA 351 CO 0.09 0.47 -0.59 1.49 0.00 0.00 0.00 179.25 180.71 1bxb h GLU 352 N 0.90 0.35 -0.77 0.00 4.57 -1.08 -2.36 114.58 116.20 1bxb h GLU 352 Ca 0.24 -0.42 0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1bxb h GLU 352 Cb -0.03 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.65 1bxb h GLU 352 CO -0.04 1.11 0.51 0.00 -1.18 0.00 0.00 179.01 179.40 1bxb h ALA 353 N 0.26 0.99 -0.45 2.92 0.00 -1.11 -2.81 119.26 119.05 1bxb h ALA 353 Ca -0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1bxb h ALA 353 Cb 1.34 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1bxb h ALA 353 CO 0.12 0.38 0.15 1.25 0.00 0.00 0.00 179.25 181.14 1bxb h LEU 354 N 1.03 0.66 -0.88 0.00 5.85 -0.69 0.22 115.31 121.50 1bxb h LEU 354 Ca 0.29 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1bxb h LEU 354 Cb -0.10 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.76 1bxb h LEU 354 CO -0.07 0.69 0.00 0.29 -0.34 0.00 0.00 178.44 179.00 1bxb n LYS 355 N -4.55 0.17 -0.15 1.25 5.02 -0.89 -2.47 118.16 116.54 1bxb n LYS 355 Ca 0.01 0.48 0.04 0.00 -2.02 0.00 0.00 58.31 56.81 1bxb n LYS 355 Cb 0.18 -1.88 0.05 0.00 -0.02 0.00 0.00 35.03 33.36 1bxb n LYS 355 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1bxb n ARG 356 N -2.22 1.15 -1.56 1.97 1.85 -0.93 -5.06 116.66 111.85 1bxb n ARG 356 Ca 0.01 -1.59 -0.32 0.00 -1.00 0.00 0.00 57.85 54.95 1bxb n ARG 356 Cb 0.17 -0.97 0.06 0.00 -1.05 0.00 0.00 32.46 30.67 1bxb n ARG 356 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1bxb s ALA 357 N -1.24 2.44 -0.81 2.89 0.00 0.02 -4.98 121.76 120.07 1bxb s ALA 357 Ca 0.11 0.35 -0.17 0.00 0.00 0.00 0.00 51.96 52.26 1bxb s ALA 357 Cb 0.10 -3.27 0.16 0.00 0.00 0.00 0.00 23.12 20.11 1bxb s ALA 357 CO 0.01 -1.42 0.88 -2.00 0.00 0.00 0.00 175.76 173.24 1bxb s GLU 358 N -4.55 3.48 0.02 0.00 2.56 -1.26 -5.04 118.70 113.92 1bxb s GLU 358 Ca 0.63 -1.96 -0.25 0.00 0.00 0.00 0.00 54.97 53.39 1bxb s GLU 358 Cb -0.18 -4.57 -0.05 0.00 2.00 0.00 0.00 34.13 31.33 1bxb s GLU 358 CO 0.49 -1.52 0.76 -0.51 -0.56 0.00 0.00 175.26 173.92 1bxb s LEU 359 N 1.61 4.42 -1.24 2.70 1.43 -1.26 -4.95 118.68 121.40 1bxb s LEU 359 Ca 0.22 1.41 -0.08 0.00 -1.03 0.00 0.00 54.13 54.65 1bxb s LEU 359 Cb -0.11 -3.22 -0.09 0.00 0.03 0.00 0.00 46.19 42.80 1bxb s LEU 359 CO -0.06 -0.02 2.69 -0.81 0.23 0.00 0.00 176.35 178.38 1bxb n PRO 360 N 3.03 2.97 -0.22 1.29 -0.04 -1.26 -4.71 135.00 136.06 1bxb n PRO 360 Ca -0.02 -1.82 -0.07 0.00 -0.04 0.00 0.00 63.50 61.55 1bxb n PRO 360 Cb 0.50 -2.60 0.04 0.00 -0.04 0.00 0.00 33.50 31.40 1bxb n PRO 360 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1bxb h LEU 361 N 7.27 0.78 -0.97 1.53 4.07 -2.00 -2.72 115.31 123.28 1bxb h LEU 361 Ca 0.68 -0.10 -0.04 0.00 0.08 0.00 0.00 57.88 58.50 1bxb h LEU 361 Cb 0.33 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.84 1bxb h LEU 361 CO 1.53 0.66 0.29 -0.08 -1.08 0.00 0.00 178.44 179.76 1bxb h GLU 362 N 0.84 1.03 -0.56 1.13 4.57 -1.99 -0.11 114.58 119.48 1bxb h GLU 362 Ca 0.22 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 58.14 1bxb h GLU 362 Cb 0.06 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 1bxb h GLU 362 CO -0.03 0.83 0.01 0.00 -1.18 0.00 0.00 179.01 178.64 1bxb h ALA 363 N 1.30 0.97 -0.02 2.92 0.00 -1.90 -2.90 119.26 119.63 1bxb h ALA 363 Ca 0.24 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1bxb h ALA 363 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1bxb h ALA 363 CO -0.02 0.63 -0.76 0.87 0.00 0.00 0.00 179.25 179.96 1bxb h LYS 364 N 0.88 0.15 0.00 0.00 1.79 -1.10 -1.55 116.57 116.73 1bxb h LYS 364 Ca 0.16 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1bxb h LYS 364 Cb 0.50 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1bxb h LYS 364 CO 0.02 0.84 0.00 0.00 -1.08 0.00 0.00 179.45 179.23 1bxb h ARG 365 N 0.09 0.00 0.00 3.15 3.08 -0.87 -2.99 114.38 116.84 1bxb h ARG 365 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1bxb h ARG 365 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1bxb h ARG 365 CO 0.11 0.00 -0.69 0.54 -1.07 0.00 0.00 179.97 178.86 1bxb n ARG 366 N -2.85 2.40 -1.69 0.04 1.74 -1.11 -4.98 116.66 110.21 1bxb n ARG 366 Ca 0.01 -0.01 -0.44 0.00 -0.77 0.00 0.00 57.85 56.64 1bxb n ARG 366 Cb 0.28 -1.15 -0.03 0.00 -1.02 0.00 0.00 32.46 30.53 1bxb n ARG 366 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1bxb n ARG 367 N -1.36 2.36 -3.97 5.56 0.00 -0.60 -5.01 116.66 113.63 1bxb n ARG 367 Ca 0.02 0.85 -0.36 0.00 -0.00 0.00 0.00 57.85 58.36 1bxb n ARG 367 Cb 0.22 -2.63 -0.08 0.00 0.00 0.00 0.00 32.46 29.97 1bxb n ARG 367 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1bxb s GLY 368 N 0.89 2.02 0.00 5.14 0.00 -1.26 -5.00 107.32 109.10 1bxb s GLY 368 Ca 0.75 -0.71 0.28 0.00 0.00 0.00 0.00 44.72 45.05 1bxb s GLY 368 CO 0.38 -0.19 1.75 -1.72 0.00 0.00 0.00 173.10 173.32 1bxb n TYR 369 N 2.73 0.00 -3.47 1.90 4.01 -1.26 -4.94 117.16 116.12 1bxb n TYR 369 Ca -0.18 -0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.30 1bxb n TYR 369 Cb 0.53 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.58 1bxb n TYR 369 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bxb n ALA 370 N 0.16 -1.12 0.16 -0.72 0.00 -1.26 -4.88 120.51 112.86 1bxb n ALA 370 Ca 0.19 0.18 0.10 0.00 0.00 0.00 0.00 53.44 53.91 1bxb n ALA 370 Cb 0.35 -3.74 0.08 0.00 0.00 0.00 0.00 19.45 16.15 1bxb n ALA 370 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1bxb h LEU 371 N -1.51 0.00 -0.28 0.00 3.38 -1.99 -2.53 115.31 112.39 1bxb h LEU 371 Ca -0.51 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.32 1bxb h LEU 371 Cb 1.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 1bxb h LEU 371 CO 0.59 0.11 -0.39 -0.08 0.09 0.00 0.00 178.44 178.77 1bxb h GLU 372 N 0.00 0.76 -0.28 1.13 4.57 -1.99 0.17 114.58 118.95 1bxb h GLU 372 Ca -0.01 -0.44 -0.05 0.00 -1.18 0.00 0.00 59.36 57.68 1bxb h GLU 372 Cb 1.10 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1bxb h GLU 372 CO 0.01 1.07 -0.01 -0.09 -1.18 0.00 0.00 179.01 178.81 1bxb h ARG 373 N 0.51 0.50 -0.64 1.92 2.43 -1.96 -1.30 114.38 115.84 1bxb h ARG 373 Ca 0.03 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1bxb h ARG 373 Cb 0.98 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 1bxb h ARG 373 CO 0.09 0.66 0.39 1.25 -1.51 0.00 0.00 179.97 180.85 1bxb h LEU 374 N 0.28 0.77 -0.64 3.80 5.85 -1.42 -1.62 115.31 122.33 1bxb h LEU 374 Ca 0.08 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1bxb h LEU 374 Cb 0.44 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1bxb h LEU 374 CO 0.02 0.60 0.14 -0.78 -0.34 0.00 0.00 178.44 178.08 1bxb h ASP 375 N 0.87 0.99 -0.72 1.25 3.58 -0.87 -1.58 116.42 119.94 1bxb h ASP 375 Ca 0.23 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1bxb h ASP 375 Cb -0.03 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.73 1bxb h ASP 375 CO -0.04 0.97 0.37 -0.61 -2.88 0.00 0.00 179.24 177.05 1bxb h GLN 376 N 0.95 1.02 -0.73 0.28 5.75 -1.04 -1.26 115.11 120.08 1bxb h GLN 376 Ca 0.20 -0.14 0.04 0.00 -0.15 0.00 0.00 58.65 58.60 1bxb h GLN 376 Cb 0.38 -0.19 -0.05 0.00 1.07 0.00 0.00 27.48 28.70 1bxb h GLN 376 CO 0.01 0.78 0.44 -0.07 -2.65 0.00 0.00 178.83 177.34 1bxb h LEU 377 N 0.99 0.71 -0.44 -2.39 4.07 -0.97 -0.32 115.31 116.96 1bxb h LEU 377 Ca 0.25 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.21 1bxb h LEU 377 Cb 0.08 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 1bxb h LEU 377 CO -0.04 0.48 0.23 0.00 -1.08 0.00 0.00 178.44 178.04 1bxb h ALA 378 N 1.33 0.56 -0.89 1.53 0.00 -0.81 -0.90 119.26 120.08 1bxb h ALA 378 Ca 0.30 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1bxb h ALA 378 Cb 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1bxb h ALA 378 CO -0.14 0.09 0.59 0.28 0.00 0.00 0.00 179.25 180.07 1bxb h VAL 379 N 0.57 1.21 -0.07 0.00 2.07 -0.89 -0.76 116.25 118.37 1bxb h VAL 379 Ca 0.15 -0.41 -0.14 0.00 0.82 0.00 0.00 66.70 67.12 1bxb h VAL 379 Cb 0.06 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 1bxb h VAL 379 CO -0.02 0.22 -0.60 -0.33 0.02 0.00 0.00 177.57 176.85 1bxb h GLU 380 N 1.19 0.24 -0.10 1.57 5.08 -0.79 -0.45 114.58 121.32 1bxb h GLU 380 Ca 0.33 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1bxb h GLU 380 Cb -0.10 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1bxb h GLU 380 CO -0.08 0.76 0.05 1.88 -1.00 0.00 0.00 179.01 180.62 1bxb h TYR 381 N 0.18 0.13 -0.85 4.33 0.05 -0.78 0.27 116.97 120.30 1bxb h TYR 381 Ca -0.01 -0.00 0.10 0.00 0.05 0.00 0.00 58.73 58.87 1bxb h TYR 381 Cb 1.10 -0.04 -0.08 0.00 1.01 0.00 0.00 36.73 38.72 1bxb h TYR 381 CO 0.02 0.15 0.49 -0.07 -1.05 0.00 0.00 178.16 177.71 1bxb h LEU 382 N 0.07 0.70 0.00 3.88 3.38 -0.88 0.36 115.31 122.83 1bxb h LEU 382 Ca 0.03 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1bxb h LEU 382 Cb 0.06 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1bxb h LEU 382 CO -0.01 0.39 0.00 0.18 0.09 0.00 0.00 178.44 179.10 1bxb n LEU 383 N -4.73 0.00 -0.28 1.67 4.77 -0.20 -4.88 117.00 113.34 1bxb n LEU 383 Ca 0.14 0.37 -0.04 0.00 -0.03 0.00 0.00 56.01 56.46 1bxb n LEU 383 Cb 0.29 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 1bxb n LEU 383 CO 0.27 -0.02 -0.04 0.61 -1.33 0.00 0.00 177.39 176.88 1bxb n GLY 384 N 1.22 0.67 0.09 -0.72 0.00 0.12 -4.90 105.19 101.67 1bxb n GLY 384 Ca 0.11 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.46 1bxb n GLY 384 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1bxb h VAL 385 N 0.00 0.00 -3.76 1.61 2.07 -1.20 -3.45 116.25 111.52 1bxb h VAL 385 Ca -0.08 -0.57 -0.58 0.00 0.82 0.00 0.00 66.70 66.30 1bxb h VAL 385 Cb 0.26 1.27 -0.21 0.00 -1.52 0.00 0.00 31.29 31.09 1bxb h VAL 385 CO 0.11 0.00 -0.83 -0.13 0.02 0.00 0.00 177.57 176.75 1bxb s ARG 386 N -3.17 1.22 0.00 1.57 0.52 -1.16 -5.00 118.95 112.94 1bxb s ARG 386 Ca 0.07 -1.26 0.27 0.00 -0.52 0.00 0.00 55.73 54.28 1bxb s ARG 386 Cb 0.12 -1.49 1.60 0.00 0.52 0.00 0.00 34.95 35.70 1bxb s ARG 386 CO 0.69 0.34 1.95 0.41 0.02 0.00 0.00 175.30 178.72