#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bwb h GLU 13 N 0.00 -0.02 -7.04 1.43 4.57 -2.04 -3.47 114.58 108.02 3bwb h GLU 13 Ca 0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 3bwb h GLU 13 Cb 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 28.75 28.70 3bwb h GLU 13 CO 0.00 -0.01 0.54 -0.51 -1.18 0.00 0.00 179.01 177.85 3bwb s LEU 14 N -5.33 3.87 -0.15 1.64 2.01 -1.26 -5.03 118.68 114.43 3bwb s LEU 14 Ca -0.00 2.53 -0.12 0.00 0.01 0.00 0.00 54.13 56.55 3bwb s LEU 14 Cb 0.00 -4.32 0.04 0.00 0.01 0.00 0.00 46.19 41.92 3bwb s LEU 14 CO 0.01 -1.34 0.39 -0.51 1.01 0.00 0.00 176.35 175.90 3bwb s ILE 15 N -1.44 -0.01 0.03 -0.59 2.07 -1.26 -5.01 121.20 114.99 3bwb s ILE 15 Ca 0.70 0.03 -0.36 0.00 -1.41 0.00 0.00 60.65 59.61 3bwb s ILE 15 Cb -0.34 -0.56 -0.15 0.00 0.13 0.00 0.00 42.46 41.54 3bwb s ILE 15 CO 0.40 0.01 1.55 -1.20 -1.91 0.00 0.00 174.94 173.79 3bwb n SER 16 N 3.33 2.45 0.00 4.50 7.64 -1.26 -0.20 113.62 130.08 3bwb n SER 16 Ca -0.17 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.80 3bwb n SER 16 Cb 0.56 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 3bwb n SER 16 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bwb n GLY 17 N 3.30 2.93 2.04 0.23 0.00 0.32 -5.00 105.19 109.00 3bwb n GLY 17 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 3bwb n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwb n GLY 18 N -2.00 -0.78 3.25 -0.02 0.00 0.72 -4.79 105.19 101.58 3bwb n GLY 18 Ca 0.00 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 43.94 3bwb n GLY 18 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3bwb s TRP 19 N -2.26 2.35 0.45 1.61 0.52 -1.26 0.23 118.94 120.57 3bwb s TRP 19 Ca 0.38 -0.69 -0.21 0.00 0.02 0.00 0.00 56.10 55.60 3bwb s TRP 19 Cb -0.01 -1.54 -0.10 0.00 -1.15 0.00 0.00 33.47 30.67 3bwb s TRP 19 CO 0.27 -0.21 1.00 0.12 0.02 0.00 0.00 176.95 178.15 3bwb s PHE 20 N -0.14 3.18 -0.13 -1.98 5.36 0.11 -4.89 117.98 119.48 3bwb s PHE 20 Ca -0.03 1.61 -0.03 0.00 -0.96 0.00 0.00 56.93 57.51 3bwb s PHE 20 Cb -0.13 -2.98 0.05 0.00 -0.34 0.00 0.00 43.02 39.61 3bwb s PHE 20 CO 0.03 -0.48 0.04 0.50 -1.46 0.00 0.00 175.22 173.86 3bwb s ARG 21 N -3.09 0.37 -0.31 10.12 3.52 -1.26 -1.66 118.95 126.64 3bwb s ARG 21 Ca 0.64 -0.06 -0.19 0.00 -0.13 0.00 0.00 55.73 55.99 3bwb s ARG 21 Cb -0.14 -1.47 -0.01 0.00 -1.56 0.00 0.00 34.95 31.77 3bwb s ARG 21 CO 0.18 -0.51 0.55 -2.00 -0.81 0.00 0.00 175.30 172.71 3bwb s GLU 22 N 2.01 3.86 -0.13 5.12 2.12 -1.26 -4.95 118.70 125.47 3bwb s GLU 22 Ca 0.02 0.14 -0.11 0.00 0.36 0.00 0.00 54.97 55.38 3bwb s GLU 22 Cb -0.15 -3.73 -0.06 0.00 0.26 0.00 0.00 34.13 30.45 3bwb s GLU 22 CO -0.07 -0.52 -0.24 -1.91 -0.54 0.00 0.00 175.26 171.98 3bwb n GLU 23 N 5.72 0.37 -1.56 4.30 2.13 -1.26 -4.38 120.64 125.96 3bwb n GLU 23 Ca -0.03 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.94 3bwb n GLU 23 Cb 0.49 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 31.07 3bwb n GLU 23 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3bwb n ASN 24 N -4.00 -1.12 0.03 4.31 0.23 -1.26 -4.56 115.26 108.88 3bwb n ASN 24 Ca -0.22 1.05 0.11 0.00 -0.53 0.00 0.00 54.58 54.99 3bwb n ASN 24 Cb 0.53 -1.94 0.47 0.00 -2.08 0.00 0.00 39.78 36.76 3bwb n ASN 24 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3bwb n ASP 25 N 0.82 0.17 -0.28 0.53 4.64 -1.26 -2.69 116.55 118.49 3bwb n ASP 25 Ca 0.00 0.53 0.07 0.00 -1.38 0.00 0.00 54.79 54.01 3bwb n ASP 25 Cb 0.00 -0.57 0.22 0.00 -1.04 0.00 0.00 41.12 39.73 3bwb n ASP 25 CO 0.00 0.00 0.00 1.56 -0.82 0.00 0.00 177.20 177.94 3bwb h GLN 26 N 0.00 0.47 -4.29 -0.67 1.08 -2.00 -3.30 115.11 106.41 3bwb h GLN 26 Ca 0.00 -0.03 -0.74 0.00 -1.45 0.00 0.00 58.65 56.44 3bwb h GLN 26 Cb 0.43 -0.11 -0.26 0.00 -0.05 0.00 0.00 27.48 27.50 3bwb h GLN 26 CO 0.00 0.31 -0.35 -1.58 -0.95 0.00 0.00 178.83 176.26 3bwb s TRP 27 N -5.98 3.31 -0.10 2.96 0.52 -1.10 -5.03 118.94 113.53 3bwb s TRP 27 Ca -0.12 -1.37 -0.30 0.00 0.02 0.00 0.00 56.10 54.33 3bwb s TRP 27 Cb 0.22 -3.34 -0.04 0.00 -1.15 0.00 0.00 33.47 29.16 3bwb s TRP 27 CO 0.77 -0.91 1.47 -2.14 0.02 0.00 0.00 176.95 176.17 3bwb s PRO 28 N 1.52 4.21 0.00 4.98 0.02 -1.25 -3.69 135.00 140.79 3bwb s PRO 28 Ca 0.04 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.01 3bwb s PRO 28 Cb -0.26 -3.86 0.00 0.00 0.02 0.00 0.00 34.50 30.40 3bwb s PRO 28 CO 0.03 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 3bwb n GLY 29 N 3.88 0.71 3.13 0.52 0.00 -1.26 -5.07 105.19 107.09 3bwb n GLY 29 Ca 0.16 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 3bwb n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3bwb s GLN 30 N -3.82 0.56 0.00 1.61 0.74 -1.24 -5.25 119.66 112.26 3bwb s GLN 30 Ca 0.00 -0.54 0.00 0.00 0.05 0.00 0.00 55.36 54.87 3bwb s GLN 30 Cb 0.00 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.34 3bwb s GLN 30 CO 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 175.29 174.60 3bwb n ALA 31 N 1.09 0.00 -3.65 1.58 0.00 -1.26 -4.69 120.51 113.59 3bwb n ALA 31 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.21 3bwb n ALA 31 Cb 0.57 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.97 3bwb n ALA 31 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3bwb s SER 33 N -0.13 -0.02 -0.03 0.00 0.01 -1.26 -4.98 113.70 107.29 3bwb s SER 33 Ca 0.00 0.02 0.04 0.00 1.31 0.00 0.00 55.95 57.32 3bwb s SER 33 Cb 0.00 0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.25 3bwb s SER 33 CO 0.00 -0.01 -0.14 -0.76 0.41 0.00 0.00 173.24 172.74 3bwb s LEU 34 N -0.55 1.92 0.03 2.44 1.43 -0.66 -4.98 118.68 118.31 3bwb s LEU 34 Ca 0.09 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.61 3bwb s LEU 34 Cb -0.03 -0.76 -0.05 0.00 0.03 0.00 0.00 46.19 45.37 3bwb s LEU 34 CO -0.12 0.14 1.26 -0.60 0.23 0.00 0.00 176.35 177.26 3bwb s ARG 35 N -0.06 4.37 -0.12 1.70 3.52 -1.26 0.03 118.95 127.13 3bwb s ARG 35 Ca 0.00 1.82 -0.19 0.00 -0.13 0.00 0.00 55.73 57.23 3bwb s ARG 35 Cb -0.08 -3.43 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 3bwb s ARG 35 CO 0.01 -0.38 0.51 0.08 -0.81 0.00 0.00 175.30 174.70 3bwb s VAL 36 N 1.58 5.16 -0.22 7.11 1.01 0.13 -2.29 120.40 132.89 3bwb s VAL 36 Ca 0.60 1.01 -0.17 0.00 0.00 0.00 0.00 61.98 63.42 3bwb s VAL 36 Cb -0.30 -3.85 -0.13 0.00 0.00 0.00 0.00 36.38 32.10 3bwb s VAL 36 CO 0.27 0.29 -0.07 1.21 0.00 0.00 0.00 175.10 176.80 3bwb n GLU 37 N 3.86 0.55 -3.74 2.72 4.07 0.13 -0.52 120.64 127.71 3bwb n GLU 37 Ca -0.06 0.44 -0.13 0.00 -0.06 0.00 0.00 57.16 57.35 3bwb n GLU 37 Cb 0.51 -1.63 -0.14 0.00 -0.06 0.00 0.00 31.44 30.12 3bwb n GLU 37 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 3bwb s LYS 38 N -2.44 0.12 -0.14 5.31 2.20 -1.07 -4.09 119.74 119.63 3bwb s LYS 38 Ca -0.30 0.44 -0.27 0.00 -0.36 0.00 0.00 55.97 55.48 3bwb s LYS 38 Cb 0.08 -0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.22 3bwb s LYS 38 CO 0.49 -0.18 0.92 0.08 -0.36 0.00 0.00 175.35 176.30 3bwb s VAL 39 N 1.29 4.83 -0.17 4.02 1.01 -1.26 0.46 120.40 130.59 3bwb s VAL 39 Ca -0.08 1.84 0.19 0.00 0.00 0.00 0.00 61.98 63.92 3bwb s VAL 39 Cb -0.11 -4.22 -0.27 0.00 0.00 0.00 0.00 36.38 31.78 3bwb s VAL 39 CO -0.07 0.01 0.16 0.18 0.00 0.00 0.00 175.10 175.39 3bwb n LEU 40 N 5.13 0.02 -3.64 3.92 4.77 -0.54 -4.94 117.00 121.72 3bwb n LEU 40 Ca 0.07 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.96 3bwb n LEU 40 Cb 0.49 0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 41.91 3bwb n LEU 40 CO 0.50 0.40 0.54 -0.47 -1.33 0.00 0.00 177.39 177.04 3bwb s TYR 41 N -2.69 -0.72 -0.33 -1.77 5.04 -0.09 -4.94 117.35 111.85 3bwb s TYR 41 Ca -0.09 1.62 0.06 0.00 -2.44 0.00 0.00 57.07 56.21 3bwb s TYR 41 Cb 0.08 0.39 0.19 0.00 0.35 0.00 0.00 41.96 42.96 3bwb s TYR 41 CO 0.84 -0.35 0.57 0.34 -1.34 0.00 0.00 175.55 175.62 3bwb s ASP 42 N 0.73 -1.24 -0.20 4.32 2.15 -1.26 0.27 116.67 121.44 3bwb s ASP 42 Ca -0.02 -0.25 -0.36 0.00 0.43 0.00 0.00 52.55 52.35 3bwb s ASP 42 Cb -0.05 1.84 0.14 0.00 -0.30 0.00 0.00 42.92 44.55 3bwb s ASP 42 CO -0.08 -0.27 1.24 0.00 -0.17 0.00 0.00 175.17 175.90 3bwb s ALA 43 N 2.44 -2.11 0.77 3.66 0.00 -0.70 -4.48 121.76 121.36 3bwb s ALA 43 Ca 0.12 1.61 -0.11 0.00 0.00 0.00 0.00 51.96 53.58 3bwb s ALA 43 Cb -0.09 -0.14 0.06 0.00 0.00 0.00 0.00 23.12 22.95 3bwb s ALA 43 CO -0.20 -0.61 1.09 -1.25 0.00 0.00 0.00 175.76 174.79 3bwb s PRO 44 N -2.35 2.26 0.00 0.00 0.04 -1.26 -1.49 135.00 132.19 3bwb s PRO 44 Ca 0.10 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.24 3bwb s PRO 44 Cb -0.01 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.63 3bwb s PRO 44 CO -0.04 -1.62 0.00 0.25 0.04 0.00 0.00 177.00 175.63 3bwb n THR 45 N -3.50 0.00 0.23 1.26 -2.24 0.19 -4.78 114.28 105.44 3bwb n THR 45 Ca 0.09 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.94 3bwb n THR 45 Cb 0.53 -0.18 0.54 0.00 -2.10 0.00 0.00 70.33 69.13 3bwb n THR 45 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3bwb h LYS 46 N 0.00 0.00 0.00 -0.78 1.57 -1.99 -3.37 116.57 112.00 3bwb h LYS 46 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3bwb h LYS 46 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3bwb h LYS 46 CO 0.00 0.20 -0.29 1.19 -0.57 0.00 0.00 179.45 179.98 3bwb n PHE 47 N -4.07 0.00 -3.76 -1.35 3.72 -1.26 -5.13 117.46 105.61 3bwb n PHE 47 Ca -0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.34 3bwb n PHE 47 Cb 0.27 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.80 3bwb n PHE 47 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3bwb s GLN 48 N -0.91 1.24 -0.39 -1.08 -2.07 -1.26 -5.11 119.66 110.07 3bwb s GLN 48 Ca 0.00 -0.68 -0.22 0.00 -1.82 0.00 0.00 55.36 52.64 3bwb s GLN 48 Cb 0.00 0.42 0.01 0.00 -1.09 0.00 0.00 33.01 32.36 3bwb s GLN 48 CO 0.00 -0.57 0.71 -1.58 -1.32 0.00 0.00 175.29 172.53 3bwb s HIS 49 N -3.33 3.09 -0.05 9.60 5.65 -1.26 0.55 115.29 129.54 3bwb s HIS 49 Ca 0.12 0.29 -0.16 0.00 0.25 0.00 0.00 55.06 55.55 3bwb s HIS 49 Cb -0.02 -3.36 -0.05 0.00 -1.18 0.00 0.00 32.58 27.97 3bwb s HIS 49 CO 0.02 -0.78 0.44 -1.17 -0.65 0.00 0.00 174.74 172.61 3bwb s LEU 50 N 2.96 4.39 -0.17 8.88 2.96 -0.56 -0.38 118.68 136.76 3bwb s LEU 50 Ca 0.27 0.91 -0.04 0.00 -0.22 0.00 0.00 54.13 55.04 3bwb s LEU 50 Cb -0.13 -2.64 0.07 0.00 0.50 0.00 0.00 46.19 43.98 3bwb s LEU 50 CO 0.18 0.18 0.14 -0.89 -1.32 0.00 0.00 176.35 174.64 3bwb s THR 51 N -0.33 -0.19 -0.09 3.68 2.01 0.32 -1.71 115.64 119.33 3bwb s THR 51 Ca 0.25 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.21 3bwb s THR 51 Cb -0.16 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.77 3bwb s THR 51 CO 0.12 -0.18 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.11 3bwb s ILE 52 N 2.23 3.12 0.12 1.82 1.01 0.14 0.42 121.20 130.07 3bwb s ILE 52 Ca 0.04 -0.67 -0.18 0.00 0.00 0.00 0.00 60.65 59.84 3bwb s ILE 52 Cb -0.15 -2.27 0.04 0.00 0.01 0.00 0.00 42.46 40.09 3bwb s ILE 52 CO -0.09 0.56 0.45 0.72 0.00 0.00 0.00 174.94 176.57 3bwb s PHE 53 N -0.23 -0.29 -0.13 3.97 -0.12 -0.38 -0.92 117.98 119.88 3bwb s PHE 53 Ca 0.01 0.03 -0.20 0.00 -0.05 0.00 0.00 56.93 56.72 3bwb s PHE 53 Cb -0.13 0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 42.55 3bwb s PHE 53 CO 0.03 -0.72 0.59 -2.00 -0.05 0.00 0.00 175.22 173.06 3bwb s GLU 54 N -3.64 4.32 0.91 1.99 2.56 0.17 -0.34 118.70 124.67 3bwb s GLU 54 Ca 0.02 0.61 -0.12 0.00 0.00 0.00 0.00 54.97 55.48 3bwb s GLU 54 Cb 0.01 -3.49 0.20 0.00 2.00 0.00 0.00 34.13 32.85 3bwb s GLU 54 CO -0.11 -0.01 1.24 -1.13 -0.56 0.00 0.00 175.26 174.69 3bwb n SER 55 N 4.20 0.47 -4.68 -1.70 3.41 -0.33 -0.70 113.62 114.30 3bwb n SER 55 Ca -0.04 -1.68 -0.47 0.00 -0.26 0.00 0.00 58.87 56.43 3bwb n SER 55 Cb 0.51 -0.91 -0.04 0.00 -0.26 0.00 0.00 64.21 63.50 3bwb n SER 55 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3bwb n ASP 56 N -3.58 3.60 0.06 4.04 4.64 -0.97 -4.35 116.55 119.99 3bwb n ASP 56 Ca 0.17 0.95 0.18 0.00 -1.38 0.00 0.00 54.79 54.70 3bwb n ASP 56 Cb 0.58 -1.41 0.69 0.00 -1.04 0.00 0.00 41.12 39.95 3bwb n ASP 56 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3bwb h PRO 57 N 9.62 0.00 -0.10 -0.67 0.11 -1.93 0.14 132.00 139.18 3bwb h PRO 57 Ca -0.49 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3bwb h PRO 57 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3bwb h PRO 57 CO 0.95 0.00 -0.26 0.87 -0.21 0.00 0.00 178.00 179.35 3bwb h LYS 58 N 0.00 0.18 -7.28 1.05 1.79 -2.02 -3.44 116.57 106.85 3bwb h LYS 58 Ca 0.19 -0.06 -0.48 0.00 -2.18 0.00 0.00 60.65 58.12 3bwb h LYS 58 Cb 0.79 -0.02 0.07 0.00 -1.58 0.00 0.00 32.23 31.49 3bwb h LYS 58 CO -0.00 0.43 0.29 0.20 -1.08 0.00 0.00 179.45 179.29 3bwb s GLY 59 N -4.16 1.61 0.00 3.86 0.00 0.50 -5.02 107.32 104.11 3bwb s GLY 59 Ca -0.05 -0.51 0.24 0.00 0.00 0.00 0.00 44.72 44.40 3bwb s GLY 59 CO 0.74 -0.19 1.30 -1.55 0.00 0.00 0.00 173.10 173.40 3bwb n PRO 60 N -2.78 1.57 0.19 2.90 -0.04 -1.26 -4.50 135.00 131.08 3bwb n PRO 60 Ca 0.06 -1.21 0.06 0.00 -0.04 0.00 0.00 63.50 62.36 3bwb n PRO 60 Cb 0.57 -1.47 0.33 0.00 -0.04 0.00 0.00 33.50 32.89 3bwb n PRO 60 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3bwb h TRP 61 N 2.96 0.00 0.00 0.54 6.55 -1.96 -3.39 115.95 120.65 3bwb h TRP 61 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3bwb h TRP 61 Cb 0.76 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.06 3bwb h TRP 61 CO 0.00 0.36 0.00 0.41 -1.05 0.00 0.00 178.44 178.16 3bwb n GLY 62 N 0.30 1.87 3.71 1.49 0.00 -1.26 -2.50 105.19 108.80 3bwb n GLY 62 Ca 0.00 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 3bwb n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bwb s THR 63 N 0.00 4.51 0.00 2.61 2.01 -1.26 -1.18 115.64 122.32 3bwb s THR 63 Ca 0.00 1.80 0.00 0.00 0.31 0.00 0.00 61.69 63.80 3bwb s THR 63 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.35 3bwb s THR 63 CO 0.00 0.11 0.00 0.52 -0.69 0.00 0.00 174.62 174.56 3bwb n VAL 64 N 4.04 0.00 -3.65 3.82 0.31 0.54 -2.04 118.33 121.34 3bwb n VAL 64 Ca 0.08 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.43 3bwb n VAL 64 Cb 0.49 -0.14 -0.06 0.00 -0.91 0.00 0.00 33.84 33.22 3bwb n VAL 64 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3bwb s ALA 66 N -2.00 -2.68 -0.17 3.52 0.00 0.17 -1.25 121.76 119.34 3bwb s ALA 66 Ca 0.00 1.94 -0.02 0.00 0.00 0.00 0.00 51.96 53.88 3bwb s ALA 66 Cb 0.00 -2.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.10 3bwb s ALA 66 CO 0.00 -0.30 -0.09 -0.51 0.00 0.00 0.00 175.76 174.86 3bwb s LEU 67 N 0.95 2.80 -1.48 0.00 1.43 -0.02 -0.52 118.68 121.85 3bwb s LEU 67 Ca -0.07 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 52.56 3bwb s LEU 67 Cb -0.02 -1.67 0.07 0.00 0.03 0.00 0.00 46.19 44.59 3bwb s LEU 67 CO -0.10 0.08 0.97 0.47 0.23 0.00 0.00 176.35 178.01 3bwb n ASP 68 N 4.08 -4.50 -1.07 2.29 8.00 0.48 -1.91 116.55 123.93 3bwb n ASP 68 Ca -0.18 -0.76 -0.11 0.00 0.71 0.00 0.00 54.79 54.45 3bwb n ASP 68 Cb 0.52 -4.05 -0.02 0.00 -0.02 0.00 0.00 41.12 37.55 3bwb n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bwb n GLY 69 N -1.71 0.40 2.82 0.44 0.00 -1.26 -5.00 105.19 100.87 3bwb n GLY 69 Ca -0.01 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 3bwb n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bwb s ILE 71 N 1.62 3.03 -0.25 0.00 1.01 -1.26 -0.84 121.20 124.51 3bwb s ILE 71 Ca -0.00 0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.97 3bwb s ILE 71 Cb -0.13 -3.28 -0.11 0.00 0.01 0.00 0.00 42.46 38.95 3bwb s ILE 71 CO -0.04 -0.01 -0.32 0.00 0.00 0.00 0.00 174.94 174.58 3bwb n GLN 72 N 5.79 0.53 -4.18 2.79 1.13 -1.26 -4.89 117.38 117.29 3bwb n GLN 72 Ca 0.16 0.23 -0.18 0.00 -1.94 0.00 0.00 57.00 55.28 3bwb n GLN 72 Cb 0.40 -1.39 -0.15 0.00 0.11 0.00 0.00 30.24 29.21 3bwb n GLN 72 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3bwb s VAL 73 N -2.46 0.48 0.03 5.09 1.01 -1.26 -5.01 120.40 118.29 3bwb s VAL 73 Ca -0.35 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.47 3bwb s VAL 73 Cb 0.13 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 3bwb s VAL 73 CO 0.44 0.17 -0.08 0.42 0.00 0.00 0.00 175.10 176.05 3bwb s THR 74 N 0.31 0.56 0.46 3.92 -4.23 -1.26 -4.44 115.64 110.97 3bwb s THR 74 Ca -0.04 -0.91 0.20 0.00 -1.18 0.00 0.00 61.69 59.77 3bwb s THR 74 Cb -0.08 -0.59 0.38 0.00 1.34 0.00 0.00 72.50 73.56 3bwb s THR 74 CO -0.00 -0.26 1.92 0.44 -0.54 0.00 0.00 174.62 176.18 3bwb h ASP 75 N 4.82 0.25 0.00 3.99 3.32 -1.10 -2.01 116.42 125.70 3bwb h ASP 75 Ca -0.34 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.68 3bwb h ASP 75 Cb 1.20 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3bwb h ASP 75 CO 0.43 0.12 -0.17 0.22 -1.72 0.00 0.00 179.24 178.12 3bwb h TYR 76 N 0.26 0.16 -0.13 4.55 3.20 -1.75 -3.38 116.97 119.88 3bwb h TYR 76 Ca 0.36 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.14 3bwb h TYR 76 Cb 1.04 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.29 3bwb h TYR 76 CO -0.00 0.91 0.00 -0.40 -1.64 0.00 0.00 178.16 177.03 3bwb n ASP 77 N -4.56 2.35 -0.34 -2.11 5.75 -1.21 -4.68 116.55 111.74 3bwb n ASP 77 Ca -0.10 -1.67 0.20 0.00 -0.01 0.00 0.00 54.79 53.21 3bwb n ASP 77 Cb 0.48 -0.08 0.42 0.00 -1.03 0.00 0.00 41.12 40.91 3bwb n ASP 77 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3bwb h GLU 78 N 2.37 0.49 0.00 0.11 4.22 -1.54 -2.26 114.58 117.98 3bwb h GLU 78 Ca 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.40 3bwb h GLU 78 Cb 0.59 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3bwb h GLU 78 CO 0.00 0.33 -0.04 0.27 -2.18 0.00 0.00 179.01 177.38 3bwb h PHE 79 N 0.51 0.00 0.46 0.92 -5.15 -1.86 -3.22 116.94 108.59 3bwb h PHE 79 Ca 0.65 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.40 3bwb h PHE 79 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.54 3bwb h PHE 79 CO -0.01 0.04 -0.22 0.28 -2.00 0.00 0.00 178.31 176.41 3bwb h VAL 80 N 0.00 0.48 -0.60 0.88 2.07 -1.77 -1.35 116.25 115.95 3bwb h VAL 80 Ca -0.00 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 3bwb h VAL 80 Cb 0.10 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3bwb h VAL 80 CO 0.01 0.06 0.14 0.22 0.02 0.00 0.00 177.57 178.02 3bwb h TYR 81 N -0.88 0.97 -0.27 1.57 3.20 -1.75 -1.75 116.97 118.07 3bwb h TYR 81 Ca -0.06 -0.10 -0.17 0.00 3.14 0.00 0.00 58.73 61.53 3bwb h TYR 81 Cb 0.57 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 3bwb h TYR 81 CO 0.01 0.81 -0.52 0.45 -1.64 0.00 0.00 178.16 177.26 3bwb h HIS 82 N 0.90 0.98 -0.19 -3.82 3.86 -1.56 -2.65 115.15 112.66 3bwb h HIS 82 Ca 0.19 -0.34 -0.18 0.00 -1.16 0.00 0.00 60.37 58.88 3bwb h HIS 82 Cb 0.33 -0.19 0.01 0.00 1.06 0.00 0.00 27.41 28.62 3bwb h HIS 82 CO 0.02 1.14 -0.60 0.93 0.86 0.00 0.00 177.93 180.28 3bwb h GLU 83 N 0.61 0.75 -0.11 2.45 5.08 -1.11 -1.95 114.58 120.30 3bwb h GLU 83 Ca 0.02 -0.55 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 3bwb h GLU 83 Cb 1.11 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 3bwb h GLU 83 CO 0.11 1.17 0.02 0.28 -1.00 0.00 0.00 179.01 179.58 3bwb h VAL 84 N 0.47 1.22 0.43 3.13 2.07 -1.35 0.88 116.25 123.11 3bwb h VAL 84 Ca -0.02 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3bwb h VAL 84 Cb 1.22 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3bwb h VAL 84 CO 0.13 0.20 -0.21 -0.07 0.02 0.00 0.00 177.57 177.64 3bwb h LEU 85 N -0.05 -0.49 0.02 2.57 4.07 -1.57 -1.92 115.31 117.93 3bwb h LEU 85 Ca 0.03 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.01 3bwb h LEU 85 Cb 0.30 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 3bwb h LEU 85 CO 0.00 -0.33 -0.12 1.23 -1.08 0.00 0.00 178.44 178.14 3bwb h GLY 86 N -0.61 -0.15 0.69 0.83 0.00 -1.29 -3.26 103.07 99.28 3bwb h GLY 86 Ca -0.06 0.14 -0.34 0.00 0.00 0.00 0.00 47.33 47.07 3bwb h GLY 86 CO 0.10 -0.12 -1.93 1.42 0.00 0.00 0.00 176.54 176.01 3bwb n HIS 87 N -5.24 1.00 -0.22 5.60 8.25 0.30 -2.81 115.22 122.09 3bwb n HIS 87 Ca -0.06 0.28 -0.01 0.00 -0.26 0.00 0.00 57.72 57.67 3bwb n HIS 87 Cb 0.17 -1.15 0.21 0.00 1.12 0.00 0.00 29.99 30.33 3bwb n HIS 87 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3bwb h THR 88 N 0.03 1.21 0.02 1.59 2.02 -1.47 0.12 112.91 116.43 3bwb h THR 88 Ca -0.38 -0.50 -0.09 0.00 0.77 0.00 0.00 66.41 66.21 3bwb h THR 88 Cb 2.03 0.20 0.01 0.00 -1.74 0.00 0.00 68.15 68.65 3bwb h THR 88 CO 0.07 0.23 -0.36 0.77 0.37 0.00 0.00 175.52 176.61 3bwb h SER 89 N 1.02 0.28 -0.42 4.18 4.64 -1.70 -3.10 113.55 118.45 3bwb h SER 89 Ca 0.26 -0.83 -0.13 0.00 -0.47 0.00 0.00 61.79 60.63 3bwb h SER 89 Cb -0.01 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3bwb h SER 89 CO -0.05 1.07 -0.21 -0.07 -0.87 0.00 0.00 176.83 176.70 3bwb h LEU 90 N -0.49 0.95 -0.75 5.97 4.07 -1.40 -2.61 115.31 121.06 3bwb h LEU 90 Ca -0.05 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 57.56 3bwb h LEU 90 Cb 1.15 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.62 3bwb h LEU 90 CO 0.07 1.12 0.00 0.00 -1.08 0.00 0.00 178.44 178.55 3bwb n SER 92 N -2.31 0.44 -4.85 0.00 7.64 -0.99 -0.68 113.62 112.87 3bwb n SER 92 Ca 0.02 0.04 -0.37 0.00 1.01 0.00 0.00 58.87 59.57 3bwb n SER 92 Cb 0.24 0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.39 3bwb n SER 92 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3bwb s HIS 93 N -3.04 3.64 0.41 1.43 5.04 -0.93 -4.69 115.29 117.16 3bwb s HIS 93 Ca 0.11 0.71 0.15 0.00 -1.54 0.00 0.00 55.06 54.48 3bwb s HIS 93 Cb 0.17 -2.10 0.93 0.00 0.04 0.00 0.00 32.58 31.61 3bwb s HIS 93 CO 0.66 0.67 1.93 -1.00 -2.34 0.00 0.00 174.74 174.66 3bwb h PRO 94 N 5.01 0.00 -0.68 2.88 0.13 -1.88 -3.41 132.00 134.04 3bwb h PRO 94 Ca -0.53 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.55 3bwb h PRO 94 Cb 1.22 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.19 3bwb h PRO 94 CO 0.61 0.25 -0.34 0.21 -0.23 0.00 0.00 178.00 178.50 3bwb s LYS 95 N -4.42 0.69 -0.65 0.86 2.20 -1.26 -4.99 119.74 112.16 3bwb s LYS 95 Ca -0.03 -0.57 -0.28 0.00 -0.36 0.00 0.00 55.97 54.73 3bwb s LYS 95 Cb 0.15 -0.01 0.03 0.00 -1.51 0.00 0.00 37.83 36.49 3bwb s LYS 95 CO 0.70 -0.88 1.25 -1.25 -0.36 0.00 0.00 175.35 174.81 3bwb s PRO 96 N 1.19 3.35 -0.17 4.03 0.04 -1.26 -4.84 135.00 137.33 3bwb s PRO 96 Ca 0.24 0.03 -0.05 0.00 0.04 0.00 0.00 61.00 61.27 3bwb s PRO 96 Cb 0.03 -4.10 -0.23 0.00 0.04 0.00 0.00 34.50 30.25 3bwb s PRO 96 CO -0.08 -1.92 0.15 0.39 0.04 0.00 0.00 177.00 175.59 3bwb n GLU 97 N 8.89 0.71 -4.69 4.56 1.02 -1.26 -2.95 120.64 126.92 3bwb n GLU 97 Ca 0.06 0.24 -0.28 0.00 -0.02 0.00 0.00 57.16 57.16 3bwb n GLU 97 Cb 0.49 -1.65 -0.17 0.00 -0.02 0.00 0.00 31.44 30.10 3bwb n GLU 97 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3bwb s ARG 98 N -2.54 2.30 0.02 3.49 3.52 -1.26 -0.31 118.95 124.17 3bwb s ARG 98 Ca -0.27 -0.61 0.05 0.00 -0.13 0.00 0.00 55.73 54.78 3bwb s ARG 98 Cb 0.08 -1.87 -0.02 0.00 -1.56 0.00 0.00 34.95 31.58 3bwb s ARG 98 CO 0.70 0.02 -0.16 0.08 -0.81 0.00 0.00 175.30 175.13 3bwb s VAL 99 N 0.73 1.28 -0.05 7.11 1.01 -0.97 -0.22 120.40 129.28 3bwb s VAL 99 Ca -0.12 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 60.99 3bwb s VAL 99 Cb -0.16 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 3bwb s VAL 99 CO 0.03 0.17 -0.23 -0.22 0.00 0.00 0.00 175.10 174.84 3bwb s LEU 100 N -0.89 2.03 -0.21 3.92 2.96 -0.28 -0.28 118.68 125.93 3bwb s LEU 100 Ca 0.04 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 3bwb s LEU 100 Cb -0.07 -1.26 0.04 0.00 0.50 0.00 0.00 46.19 45.39 3bwb s LEU 100 CO 0.01 0.22 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.47 3bwb s ILE 101 N -0.13 2.12 -0.23 6.68 1.01 0.43 -0.26 121.20 130.82 3bwb s ILE 101 Ca -0.03 -1.22 -0.18 0.00 0.00 0.00 0.00 60.65 59.21 3bwb s ILE 101 Cb -0.13 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 3bwb s ILE 101 CO 0.03 0.31 0.53 -0.63 0.00 0.00 0.00 174.94 175.18 3bwb s ILE 102 N 1.21 5.08 0.00 2.92 1.09 0.32 -1.12 121.20 130.71 3bwb s ILE 102 Ca -0.01 0.94 0.00 0.00 -1.10 0.00 0.00 60.65 60.49 3bwb s ILE 102 Cb -0.16 -3.85 0.00 0.00 -1.06 0.00 0.00 42.46 37.39 3bwb s ILE 102 CO -0.10 0.12 0.00 0.61 -0.10 0.00 0.00 174.94 175.48 3bwb n GLY 103 N 4.12 0.47 2.98 6.18 0.00 0.75 -0.56 105.19 119.13 3bwb n GLY 103 Ca -0.04 -1.21 -0.18 0.00 0.00 0.00 0.00 46.02 44.58 3bwb n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwb n GLY 104 N 0.00 -0.26 0.26 -0.02 0.00 -1.25 -4.14 105.19 99.79 3bwb n GLY 104 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 3bwb n GLY 104 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3bwb h GLY 105 N -1.67 0.51 2.00 -0.02 0.00 -1.94 -2.36 103.07 99.59 3bwb h GLY 105 Ca -0.44 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3bwb h GLY 105 CO 0.45 0.30 0.00 2.09 0.00 0.00 0.00 176.54 179.37 3bwb n ASP 106 N -4.25 0.73 0.00 0.19 5.68 -1.26 -4.90 116.55 112.73 3bwb n ASP 106 Ca 0.01 0.67 0.00 0.00 -0.50 0.00 0.00 54.79 54.97 3bwb n ASP 106 Cb 0.27 -0.83 0.00 0.00 -1.14 0.00 0.00 41.12 39.43 3bwb n ASP 106 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bwb n GLY 107 N 0.13 0.72 0.14 6.12 0.00 -0.89 -3.07 105.19 108.34 3bwb n GLY 107 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3bwb n GLY 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3bwb h GLY 108 N 0.00 0.41 1.69 -0.02 0.00 -1.80 -0.28 103.07 103.08 3bwb h GLY 108 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 3bwb h GLY 108 CO 0.00 0.34 -0.46 -2.08 0.00 0.00 0.00 176.54 174.34 3bwb h VAL 109 N 0.06 1.32 -0.56 4.60 2.07 -1.88 -3.08 116.25 118.79 3bwb h VAL 109 Ca 0.04 -1.65 -0.03 0.00 0.82 0.00 0.00 66.70 65.89 3bwb h VAL 109 Cb 0.58 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 3bwb h VAL 109 CO 0.03 0.50 0.25 0.25 0.02 0.00 0.00 177.57 178.61 3bwb h LEU 110 N 0.27 0.75 -0.92 2.57 5.85 -1.84 -1.24 115.31 120.74 3bwb h LEU 110 Ca 0.02 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.68 3bwb h LEU 110 Cb 0.91 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.68 3bwb h LEU 110 CO 0.08 0.69 0.56 -0.09 -0.34 0.00 0.00 178.44 179.34 3bwb h ARG 111 N 0.76 0.93 0.09 1.25 2.43 -0.97 -1.23 114.38 117.63 3bwb h ARG 111 Ca 0.19 -0.06 -0.28 0.00 -0.81 0.00 0.00 59.98 59.02 3bwb h ARG 111 Cb 0.16 -0.21 0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3bwb h ARG 111 CO -0.02 0.62 -1.17 0.93 -1.51 0.00 0.00 179.97 178.82 3bwb h GLU 112 N 0.96 0.55 -0.72 0.20 4.39 -1.42 -3.19 114.58 115.35 3bwb h GLU 112 Ca 0.43 -0.71 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 3bwb h GLU 112 Cb 0.33 0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 3bwb h GLU 112 CO -0.23 1.30 0.35 -0.39 -1.16 0.00 0.00 179.01 178.89 3bwb h VAL 113 N 0.26 1.23 0.00 3.13 -1.51 -0.90 -2.75 116.25 115.70 3bwb h VAL 113 Ca -0.16 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 3bwb h VAL 113 Cb 1.84 0.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3bwb h VAL 113 CO 0.22 0.27 0.00 0.18 -1.23 0.00 0.00 177.57 177.01 3bwb n LEU 114 N -4.33 0.31 0.22 4.19 4.77 -0.49 -2.15 117.00 119.51 3bwb n LEU 114 Ca 0.07 0.57 0.06 0.00 -0.03 0.00 0.00 56.01 56.67 3bwb n LEU 114 Cb 0.13 -0.51 0.50 0.00 -2.33 0.00 0.00 43.42 41.21 3bwb n LEU 114 CO 0.39 -0.33 0.87 0.03 -1.33 0.00 0.00 177.39 177.01 3bwb h ARG 115 N 0.00 0.00 -6.37 3.23 3.08 -1.47 -3.44 114.38 109.41 3bwb h ARG 115 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 3bwb h ARG 115 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3bwb h ARG 115 CO 0.00 0.22 0.70 -1.01 -1.07 0.00 0.00 179.97 178.81 3bwb s HIS 116 N -4.45 3.16 0.37 3.04 3.76 -0.92 -4.93 115.29 115.33 3bwb s HIS 116 Ca -0.03 1.13 0.20 0.00 -0.15 0.00 0.00 55.06 56.20 3bwb s HIS 116 Cb 0.15 -3.49 1.08 0.00 1.11 0.00 0.00 32.58 31.43 3bwb s HIS 116 CO 0.69 -1.62 1.95 0.78 -0.85 0.00 0.00 174.74 175.68 3bwb h GLY 117 N 7.89 0.00 2.00 -2.22 0.00 -1.89 -2.94 103.07 105.91 3bwb h GLY 117 Ca -0.37 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 3bwb h GLY 117 CO 0.87 0.00 -0.33 -0.91 0.00 0.00 0.00 176.54 176.17 3bwb h THR 118 N 0.00 0.95 -2.69 4.70 1.35 -1.92 -3.43 112.91 111.88 3bwb h THR 118 Ca -0.00 -1.28 -0.57 0.00 -0.55 0.00 0.00 66.41 64.01 3bwb h THR 118 Cb 0.49 1.75 -0.03 0.00 -1.73 0.00 0.00 68.15 68.63 3bwb h THR 118 CO 0.03 0.33 1.26 -0.69 -0.25 0.00 0.00 175.52 176.20 3bwb s VAL 119 N -3.89 3.50 0.00 6.82 1.01 -1.11 -4.14 120.40 122.59 3bwb s VAL 119 Ca -0.01 0.51 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 3bwb s VAL 119 Cb 0.12 -3.70 -0.28 0.00 0.00 0.00 0.00 36.38 32.53 3bwb s VAL 119 CO 0.68 -0.45 0.85 -0.33 0.00 0.00 0.00 175.10 175.85 3bwb h GLU 120 N 12.76 0.26 -2.78 2.72 5.08 -0.91 -3.48 114.58 128.23 3bwb h GLU 120 Ca -0.33 -0.45 -0.09 0.00 -1.00 0.00 0.00 59.36 57.48 3bwb h GLU 120 Cb 1.16 0.17 -0.19 0.00 0.50 0.00 0.00 28.75 30.39 3bwb h GLU 120 CO 1.04 1.13 -0.12 -1.58 -1.00 0.00 0.00 179.01 178.48 3bwb s HIS 121 N -2.61 -0.32 -0.04 4.33 5.04 -1.04 -4.83 115.29 115.81 3bwb s HIS 121 Ca -0.09 0.47 -0.01 0.00 -1.54 0.00 0.00 55.06 53.88 3bwb s HIS 121 Cb 0.07 0.20 0.03 0.00 0.04 0.00 0.00 32.58 32.92 3bwb s HIS 121 CO 0.85 -0.49 0.02 0.00 -2.34 0.00 0.00 174.74 172.79 3bwb s ASP 123 N 1.67 6.63 -0.08 0.00 1.01 0.62 -1.79 116.67 124.73 3bwb s ASP 123 Ca -0.01 0.75 0.01 0.00 0.71 0.00 0.00 52.55 54.01 3bwb s ASP 123 Cb -0.13 -2.19 0.02 0.00 1.01 0.00 0.00 42.92 41.63 3bwb s ASP 123 CO -0.03 0.29 -0.09 -0.22 0.21 0.00 0.00 175.17 175.32 3bwb s LEU 124 N -0.70 1.41 -0.25 1.23 0.20 -0.71 -0.43 118.68 119.44 3bwb s LEU 124 Ca 0.20 -0.28 0.01 0.00 0.69 0.00 0.00 54.13 54.75 3bwb s LEU 124 Cb -0.15 -0.79 0.07 0.00 -0.43 0.00 0.00 46.19 44.89 3bwb s LEU 124 CO 0.09 -0.04 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.40 3bwb s VAL 125 N 1.13 1.48 0.12 1.68 1.01 -0.27 0.07 120.40 125.61 3bwb s VAL 125 Ca -0.06 -1.31 0.09 0.00 0.00 0.00 0.00 61.98 60.70 3bwb s VAL 125 Cb -0.14 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 3bwb s VAL 125 CO -0.02 -0.22 -0.21 -0.62 0.00 0.00 0.00 175.10 174.04 3bwb s ASP 126 N 1.40 2.68 0.01 3.32 -1.08 -0.94 -0.18 116.67 121.88 3bwb s ASP 126 Ca -0.02 -0.73 0.04 0.00 -0.52 0.00 0.00 52.55 51.31 3bwb s ASP 126 Cb -0.19 -0.15 -0.25 0.00 -1.46 0.00 0.00 42.92 40.87 3bwb s ASP 126 CO -0.08 0.06 0.89 -0.29 0.52 0.00 0.00 175.17 176.26 3bwb h ILE 127 N 3.87 1.18 -3.45 4.11 2.10 -1.86 -1.82 117.51 121.64 3bwb h ILE 127 Ca -0.46 -2.90 -0.68 0.00 1.08 0.00 0.00 64.86 61.89 3bwb h ILE 127 Cb 1.19 2.68 -0.18 0.00 -1.09 0.00 0.00 36.82 39.41 3bwb h ILE 127 CO 0.42 0.77 -0.07 -0.62 -1.08 0.00 0.00 178.15 177.57 3bwb s ASP 128 N -6.67 6.23 0.33 2.19 -1.08 -1.26 -4.47 116.67 111.94 3bwb s ASP 128 Ca -0.06 -0.70 0.17 0.00 -0.52 0.00 0.00 52.55 51.44 3bwb s ASP 128 Cb 0.08 -2.26 0.23 0.00 -1.46 0.00 0.00 42.92 39.50 3bwb s ASP 128 CO 0.83 -0.72 1.52 1.23 0.52 0.00 0.00 175.17 178.56 3bwb h GLY 129 N 9.37 0.00 1.77 2.66 0.00 -1.98 -3.29 103.07 111.60 3bwb h GLY 129 Ca -0.27 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.89 3bwb h GLY 129 CO 0.87 0.00 -0.77 0.83 0.00 0.00 0.00 176.54 177.47 3bwb h GLU 130 N 0.00 0.21 -0.95 4.80 5.08 -2.01 -2.41 114.58 119.31 3bwb h GLU 130 Ca -0.00 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3bwb h GLU 130 Cb 1.24 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3bwb h GLU 130 CO 0.05 0.88 0.00 0.28 -1.00 0.00 0.00 179.01 179.22 3bwb n VAL 131 N -3.74 0.04 0.00 3.13 0.31 -1.24 -1.61 118.33 115.21 3bwb n VAL 131 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3bwb n VAL 131 Cb 0.73 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.39 3bwb n VAL 131 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3bwb n GLU 133 N 0.70 0.00 0.12 5.55 -0.58 -0.91 -1.14 120.64 124.38 3bwb n GLU 133 Ca 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.71 3bwb n GLU 133 Cb 0.03 0.00 0.11 0.00 -0.57 0.00 0.00 31.44 31.01 3bwb n GLU 133 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3bwb h GLN 134 N 0.00 0.01 -0.38 3.49 1.08 -1.59 -2.52 115.11 115.20 3bwb h GLN 134 Ca 0.00 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.12 3bwb h GLN 134 Cb 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3bwb h GLN 134 CO 0.00 0.70 -0.05 0.77 -0.95 0.00 0.00 178.83 179.30 3bwb h SER 135 N 0.00 0.70 -0.73 1.46 0.02 -1.39 -0.65 113.55 112.96 3bwb h SER 135 Ca -0.01 -0.34 0.12 0.00 -0.84 0.00 0.00 61.79 60.73 3bwb h SER 135 Cb 1.23 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 63.53 3bwb h SER 135 CO 0.09 0.87 0.48 0.11 -1.14 0.00 0.00 176.83 177.24 3bwb h LYS 136 N 0.51 0.48 0.01 3.45 1.57 -1.78 0.11 116.57 120.91 3bwb h LYS 136 Ca 0.10 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.74 3bwb h LYS 136 Cb 0.54 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3bwb h LYS 136 CO 0.03 0.32 -0.62 0.37 -0.57 0.00 0.00 179.45 178.97 3bwb h GLN 137 N 0.49 0.02 0.00 3.15 4.15 -1.26 -3.40 115.11 118.27 3bwb h GLN 137 Ca 0.35 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.73 3bwb h GLN 137 Cb 0.68 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.38 3bwb h GLN 137 CO -0.12 1.02 -1.28 0.72 -1.93 0.00 0.00 178.83 177.24 3bwb n HIS 138 N -4.49 0.00 -3.17 3.99 8.25 -0.27 -4.54 115.22 115.00 3bwb n HIS 138 Ca -0.20 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.01 3bwb n HIS 138 Cb 0.60 -0.18 -0.05 0.00 1.12 0.00 0.00 29.99 31.47 3bwb n HIS 138 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3bwb n PHE 139 N -1.73 2.29 -0.05 4.41 3.72 0.38 -4.94 117.46 121.53 3bwb n PHE 139 Ca 0.01 -3.92 0.01 0.00 -0.05 0.00 0.00 57.45 53.49 3bwb n PHE 139 Cb 0.37 -0.47 0.31 0.00 -0.94 0.00 0.00 39.48 38.75 3bwb n PHE 139 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3bwb h PRO 140 N 3.50 0.65 0.00 -1.08 0.13 -1.76 -1.00 132.00 132.43 3bwb h PRO 140 Ca 0.13 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 65.14 3bwb h PRO 140 Cb 0.72 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 3bwb h PRO 140 CO 0.69 0.54 -0.14 1.96 -0.23 0.00 0.00 178.00 180.82 3bwb h GLN 141 N 0.64 0.00 0.09 0.86 1.08 -1.92 -1.23 115.11 114.63 3bwb h GLN 141 Ca 0.16 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 57.10 3bwb h GLN 141 Cb 0.14 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 3bwb h GLN 141 CO -0.01 0.14 -1.34 0.82 -0.95 0.00 0.00 178.83 177.48 3bwb h ILE 142 N 0.00 1.02 -0.16 2.54 2.04 -1.71 -3.40 117.51 117.83 3bwb h ILE 142 Ca -0.00 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.51 3bwb h ILE 142 Cb 0.33 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 3bwb h ILE 142 CO 0.02 0.64 0.00 -1.54 0.00 0.00 0.00 178.15 177.26 3bwb n SER 143 N -4.03 1.96 -0.28 1.72 3.41 -0.44 -3.69 113.62 112.27 3bwb n SER 143 Ca -0.26 -1.73 0.14 0.00 -0.26 0.00 0.00 58.87 56.76 3bwb n SER 143 Cb 0.84 -0.10 0.40 0.00 -0.26 0.00 0.00 64.21 65.09 3bwb n SER 143 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3bwb h ARG 144 N 2.69 0.62 0.00 4.33 3.08 -1.44 -2.55 114.38 121.11 3bwb h ARG 144 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3bwb h ARG 144 Cb 0.59 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3bwb h ARG 144 CO 0.00 0.41 0.00 0.43 -1.07 0.00 0.00 179.97 179.74 3bwb n SER 145 N -4.58 0.00 0.28 7.04 7.64 -1.26 -3.00 113.62 119.75 3bwb n SER 145 Ca 0.19 0.31 0.15 0.00 1.01 0.00 0.00 58.87 60.53 3bwb n SER 145 Cb 0.54 -0.43 0.84 0.00 -1.01 0.00 0.00 64.21 64.15 3bwb n SER 145 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3bwb h LEU 146 N 0.00 0.00 -2.14 -3.43 3.38 -1.77 -2.47 115.31 108.88 3bwb h LEU 146 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bwb h LEU 146 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3bwb h LEU 146 CO 0.00 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.60 3bwb n ALA 147 N -2.24 2.43 -1.91 1.53 0.00 -1.16 -4.74 120.51 114.42 3bwb n ALA 147 Ca -0.02 -0.96 -0.41 0.00 0.00 0.00 0.00 53.44 52.05 3bwb n ALA 147 Cb 0.19 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 3bwb n ALA 147 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bwb s ASP 148 N -1.35 6.84 0.58 0.00 -1.08 -0.93 -4.92 116.67 115.81 3bwb s ASP 148 Ca 0.39 2.51 0.27 0.00 -0.52 0.00 0.00 52.55 55.20 3bwb s ASP 148 Cb 0.22 -2.62 1.60 0.00 -1.46 0.00 0.00 42.92 40.65 3bwb s ASP 148 CO 0.30 -0.54 2.09 1.55 0.52 0.00 0.00 175.17 179.09 3bwb h PRO 149 N 4.76 0.00 -0.00 4.34 0.13 -1.93 -0.73 132.00 138.57 3bwb h PRO 149 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3bwb h PRO 149 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3bwb h PRO 149 CO 0.74 0.00 -0.13 0.54 -0.23 0.00 0.00 178.00 178.92 3bwb n ARG 150 N -3.92 0.50 -4.01 0.86 1.74 -1.26 -4.81 116.66 105.76 3bwb n ARG 150 Ca 0.02 -0.17 -0.35 0.00 -0.77 0.00 0.00 57.85 56.59 3bwb n ARG 150 Cb 0.34 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.18 3bwb n ARG 150 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bwb s ALA 151 N -2.61 3.27 -0.40 7.54 0.00 -0.28 -0.83 121.76 128.45 3bwb s ALA 151 Ca 0.25 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 51.25 3bwb s ALA 151 Cb 0.20 -1.90 0.06 0.00 0.00 0.00 0.00 23.12 21.47 3bwb s ALA 151 CO 0.51 -0.01 0.23 0.99 0.00 0.00 0.00 175.76 177.49 3bwb s THR 152 N 0.72 4.28 -0.09 0.00 2.01 -0.74 -4.73 115.64 117.10 3bwb s THR 152 Ca 0.02 -1.24 -0.17 0.00 0.31 0.00 0.00 61.69 60.61 3bwb s THR 152 Cb -0.14 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 3bwb s THR 152 CO 0.02 -0.41 0.46 -0.69 -0.69 0.00 0.00 174.62 173.30 3bwb s VAL 153 N 1.46 5.14 -0.03 3.82 1.01 -1.26 -1.74 120.40 128.79 3bwb s VAL 153 Ca 0.02 0.92 0.05 0.00 0.00 0.00 0.00 61.98 62.97 3bwb s VAL 153 Cb -0.22 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 3bwb s VAL 153 CO 0.03 0.39 -0.18 -0.13 0.00 0.00 0.00 175.10 175.21 3bwb s ARG 154 N 0.23 1.72 -0.33 2.72 0.52 0.11 -4.97 118.95 118.95 3bwb s ARG 154 Ca 0.25 -0.64 -0.12 0.00 -0.52 0.00 0.00 55.73 54.70 3bwb s ARG 154 Cb -0.15 -1.54 -0.02 0.00 0.52 0.00 0.00 34.95 33.75 3bwb s ARG 154 CO 0.11 0.30 0.22 0.08 0.02 0.00 0.00 175.30 176.03 3bwb s VAL 155 N -0.12 5.16 -2.61 3.52 1.01 -1.26 -2.21 120.40 123.88 3bwb s VAL 155 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3bwb s VAL 155 Cb -0.10 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3bwb s VAL 155 CO 0.01 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.75 3bwb n GLY 156 N 5.08 -1.53 3.68 4.51 0.00 -0.68 -4.99 105.19 111.26 3bwb n GLY 156 Ca -0.13 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 3bwb n GLY 156 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bwb s ASP 157 N -2.84 7.15 0.31 1.61 2.15 -1.26 -3.45 116.67 120.33 3bwb s ASP 157 Ca 0.00 1.64 0.11 0.00 0.43 0.00 0.00 52.55 54.73 3bwb s ASP 157 Cb 0.00 -2.56 0.49 0.00 -0.30 0.00 0.00 42.92 40.56 3bwb s ASP 157 CO 0.00 -0.53 1.69 1.23 -0.17 0.00 0.00 175.17 177.39 3bwb h GLY 158 N 8.25 0.00 0.82 2.66 0.00 -1.94 -2.45 103.07 110.41 3bwb h GLY 158 Ca -0.31 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3bwb h GLY 158 CO 0.88 0.00 0.00 1.41 0.00 0.00 0.00 176.54 178.83 3bwb h LEU 159 N 0.00 0.33 -1.03 3.11 -0.00 -1.99 -2.09 115.31 113.64 3bwb h LEU 159 Ca -0.01 -0.30 -0.04 0.00 -0.00 0.00 0.00 57.88 57.53 3bwb h LEU 159 Cb 0.93 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.48 3bwb h LEU 159 CO 0.07 0.55 0.18 0.00 -0.00 0.00 0.00 178.44 179.24 3bwb h ALA 160 N 0.79 1.22 0.25 1.53 0.00 -1.97 -2.57 119.26 118.51 3bwb h ALA 160 Ca 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3bwb h ALA 160 Cb 0.38 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3bwb h ALA 160 CO 0.01 0.55 -0.12 0.35 0.00 0.00 0.00 179.25 180.04 3bwb h PHE 161 N 0.85 -0.31 -0.06 0.00 3.57 -1.34 -2.60 116.94 117.05 3bwb h PHE 161 Ca 0.19 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 3bwb h PHE 161 Cb 0.25 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3bwb h PHE 161 CO 0.02 -0.02 -0.31 -0.39 -2.23 0.00 0.00 178.31 175.38 3bwb h VAL 162 N -0.58 1.24 -0.10 1.41 -1.51 -1.38 -1.88 116.25 113.46 3bwb h VAL 162 Ca -0.03 -1.16 -0.12 0.00 -1.23 0.00 0.00 66.70 64.16 3bwb h VAL 162 Cb 0.42 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 31.11 3bwb h VAL 162 CO 0.06 0.34 -0.46 -0.09 -1.23 0.00 0.00 177.57 176.19 3bwb h ARG 163 N 0.11 0.24 -0.07 5.19 2.43 -1.46 -2.96 114.38 117.85 3bwb h ARG 163 Ca 0.01 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3bwb h ARG 163 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3bwb h ARG 163 CO 0.04 0.65 0.00 1.04 -1.51 0.00 0.00 179.97 180.19 3bwb n GLN 164 N -3.99 1.78 -3.15 0.20 3.00 -0.93 -4.87 117.38 109.42 3bwb n GLN 164 Ca -0.02 -1.15 -0.39 0.00 -0.01 0.00 0.00 57.00 55.44 3bwb n GLN 164 Cb 0.51 -1.46 -0.05 0.00 0.00 0.00 0.00 30.24 29.24 3bwb n GLN 164 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 3bwb s THR 165 N -1.92 5.09 1.11 5.09 2.01 -0.75 -5.07 115.64 121.20 3bwb s THR 165 Ca 0.36 1.24 -0.13 0.00 0.31 0.00 0.00 61.69 63.47 3bwb s THR 165 Cb 0.20 -3.95 0.25 0.00 0.01 0.00 0.00 72.50 69.01 3bwb s THR 165 CO 0.31 0.26 1.05 -2.16 -0.69 0.00 0.00 174.62 173.39 3bwb s PRO 166 N 0.90 -0.47 0.87 4.92 0.04 -1.26 -4.85 135.00 135.15 3bwb s PRO 166 Ca 0.32 0.64 -0.11 0.00 0.04 0.00 0.00 61.00 61.90 3bwb s PRO 166 Cb -0.17 -1.62 0.11 0.00 0.04 0.00 0.00 34.50 32.87 3bwb s PRO 166 CO 0.14 -3.37 1.10 -0.51 0.04 0.00 0.00 177.00 174.40 3bwb s ASP 167 N -2.94 3.56 -1.67 6.66 1.11 -1.26 -3.89 116.67 118.24 3bwb s ASP 167 Ca 0.67 1.85 -0.11 0.00 0.18 0.00 0.00 52.55 55.14 3bwb s ASP 167 Cb -0.22 -2.45 0.11 0.00 1.07 0.00 0.00 42.92 41.43 3bwb s ASP 167 CO 0.62 -2.64 0.40 0.59 1.18 0.00 0.00 175.17 175.31 3bwb n ASN 168 N -3.91 -0.89 -0.00 0.27 3.02 -0.60 -4.84 115.26 108.30 3bwb n ASN 168 Ca 0.09 -1.18 -0.21 0.00 -0.03 0.00 0.00 54.58 53.25 3bwb n ASN 168 Cb 0.53 -2.01 -0.14 0.00 -0.61 0.00 0.00 39.78 37.55 3bwb n ASN 168 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3bwb n THR 169 N -4.35 1.76 -4.27 3.41 -1.04 0.08 -4.64 114.28 105.23 3bwb n THR 169 Ca -0.11 -0.65 -0.31 0.00 -2.04 0.00 0.00 64.05 60.94 3bwb n THR 169 Cb 0.58 -1.70 -0.09 0.00 -1.82 0.00 0.00 70.33 67.29 3bwb n THR 169 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3bwb s TYR 170 N -2.56 2.89 -0.10 -1.42 2.02 0.17 -4.84 117.35 113.51 3bwb s TYR 170 Ca -0.23 -0.06 -0.07 0.00 -0.37 0.00 0.00 57.07 56.34 3bwb s TYR 170 Cb 0.07 -1.54 -0.27 0.00 -0.40 0.00 0.00 41.96 39.82 3bwb s TYR 170 CO 0.76 0.43 0.45 -0.44 -1.57 0.00 0.00 175.55 175.18 3bwb h ASP 171 N 3.89 0.45 -4.00 2.29 3.32 -0.92 0.13 116.42 121.59 3bwb h ASP 171 Ca -0.48 -0.92 -0.40 0.00 0.02 0.00 0.00 57.03 55.25 3bwb h ASP 171 Cb 1.17 -0.15 -0.29 0.00 0.22 0.00 0.00 39.33 40.28 3bwb h ASP 171 CO 0.56 1.82 -0.78 -0.69 -1.72 0.00 0.00 179.24 178.42 3bwb s VAL 172 N -2.57 0.72 -0.19 -1.35 1.01 -1.15 -1.60 120.40 115.27 3bwb s VAL 172 Ca -0.20 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3bwb s VAL 172 Cb 0.06 -0.61 0.05 0.00 0.00 0.00 0.00 36.38 35.88 3bwb s VAL 172 CO 0.79 0.21 -0.06 -0.69 0.00 0.00 0.00 175.10 175.35 3bwb s VAL 173 N -0.14 1.34 -0.30 2.92 1.01 -0.87 -1.13 120.40 123.24 3bwb s VAL 173 Ca 0.02 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 3bwb s VAL 173 Cb -0.04 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 3bwb s VAL 173 CO -0.00 0.07 0.16 -0.63 0.00 0.00 0.00 175.10 174.70 3bwb s ILE 174 N 1.51 4.84 -0.70 2.22 1.01 0.65 -0.81 121.20 129.91 3bwb s ILE 174 Ca -0.02 -0.21 -0.16 0.00 0.00 0.00 0.00 60.65 60.26 3bwb s ILE 174 Cb -0.16 -3.40 0.16 0.00 0.01 0.00 0.00 42.46 39.07 3bwb s ILE 174 CO -0.07 0.14 0.69 -0.63 0.00 0.00 0.00 174.94 175.06 3bwb s ILE 175 N 1.67 5.29 -1.15 2.92 1.01 0.19 -0.52 121.20 130.61 3bwb s ILE 175 Ca 0.06 -1.85 -0.05 0.00 0.00 0.00 0.00 60.65 58.80 3bwb s ILE 175 Cb -0.17 -4.45 0.25 0.00 0.01 0.00 0.00 42.46 38.11 3bwb s ILE 175 CO 0.08 -1.02 1.76 -0.67 0.00 0.00 0.00 174.94 175.08 3bwb n ASP 176 N 4.95 6.47 -3.60 3.58 2.03 0.28 -2.07 116.55 128.19 3bwb n ASP 176 Ca 0.01 -3.36 -0.08 0.00 0.52 0.00 0.00 54.79 51.89 3bwb n ASP 176 Cb 0.44 -1.31 -0.05 0.00 -0.72 0.00 0.00 41.12 39.48 3bwb n ASP 176 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3bwb s THR 177 N -2.10 0.00 -1.49 5.18 -1.32 -1.26 -3.82 115.64 110.82 3bwb s THR 177 Ca 0.37 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 61.03 3bwb s THR 177 Cb 0.10 -1.00 0.51 0.00 -1.51 0.00 0.00 72.50 70.60 3bwb s THR 177 CO 0.01 0.00 1.42 0.41 -2.21 0.00 0.00 174.62 174.26 3bwb n THR 178 N 0.74 1.04 0.00 5.08 -1.04 -1.26 -4.72 114.28 114.11 3bwb n THR 178 Ca -0.07 -1.01 0.00 0.00 -2.04 0.00 0.00 64.05 60.92 3bwb n THR 178 Cb 0.58 0.48 0.00 0.00 -1.82 0.00 0.00 70.33 69.57 3bwb n THR 178 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3bwb n ASP 179 N 1.14 0.00 -0.91 8.00 5.75 -1.26 -5.12 116.55 124.15 3bwb n ASP 179 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.97 3bwb n ASP 179 Cb 0.55 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 3bwb n ASP 179 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 3bwb n PRO 180 N 0.00 0.71 -4.05 0.11 -0.02 -1.26 -5.14 135.00 125.35 3bwb n PRO 180 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 3bwb n PRO 180 Cb 0.00 -1.18 -0.03 0.00 -0.02 0.00 0.00 33.50 32.27 3bwb n PRO 180 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bwb n ALA 184 N 0.56 -2.20 -2.08 3.55 0.00 -1.26 -4.82 120.51 114.26 3bwb n ALA 184 Ca 0.00 -0.37 -0.28 0.00 0.00 0.00 0.00 53.44 52.79 3bwb n ALA 184 Cb 0.32 -1.85 -0.06 0.00 0.00 0.00 0.00 19.45 17.87 3bwb n ALA 184 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3bwb s SER 185 N -4.10 5.12 -0.14 0.00 1.04 -1.26 -4.91 113.70 109.46 3bwb s SER 185 Ca 0.16 -1.29 -0.00 0.00 0.48 0.00 0.00 55.95 55.29 3bwb s SER 185 Cb -0.07 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.46 3bwb s SER 185 CO 0.93 -2.90 -0.14 -0.75 0.98 0.00 0.00 173.24 171.37 3bwb s LYS 186 N 6.62 3.32 0.00 4.02 2.36 -1.26 -4.45 119.74 130.35 3bwb s LYS 186 Ca 0.68 -0.71 0.00 0.00 -2.55 0.00 0.00 55.97 53.39 3bwb s LYS 186 Cb -0.03 -2.64 0.00 0.00 -1.05 0.00 0.00 37.83 34.11 3bwb s LYS 186 CO 0.07 0.13 0.00 -0.11 1.55 0.00 0.00 175.35 176.99 3bwb n LEU 187 N 3.76 0.00 -0.48 5.43 -0.00 -1.26 -4.47 117.00 119.98 3bwb n LEU 187 Ca -0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.81 3bwb n LEU 187 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.93 3bwb n LEU 187 CO 0.30 0.00 0.14 2.22 -0.00 0.00 0.00 177.39 180.05 3bwb n PHE 188 N 0.00 0.00 -0.08 1.96 -0.00 -1.26 -5.03 117.46 113.04 3bwb n PHE 188 Ca 0.00 -0.12 -0.16 0.00 -0.00 0.00 0.00 57.45 57.17 3bwb n PHE 188 Cb 0.00 0.28 -0.12 0.00 -0.00 0.00 0.00 39.48 39.64 3bwb n PHE 188 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 3bwb h GLY 189 N 0.00 0.00 -0.05 4.97 0.00 -1.78 -3.23 103.07 102.98 3bwb h GLY 189 Ca -0.13 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.23 3bwb h GLY 189 CO -0.07 0.00 -0.48 0.83 0.00 0.00 0.00 176.54 176.82 3bwb h GLU 190 N -1.00 -0.53 -0.73 4.80 5.08 -1.96 0.16 114.58 120.41 3bwb h GLU 190 Ca -0.13 0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 3bwb h GLU 190 Cb 1.08 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 3bwb h GLU 190 CO -0.08 -0.35 0.19 0.00 -1.00 0.00 0.00 179.01 177.77 3bwb h ALA 191 N -0.10 0.97 -0.21 3.43 0.00 -2.00 -2.87 119.26 118.49 3bwb h ALA 191 Ca 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3bwb h ALA 191 Cb 0.66 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3bwb h ALA 191 CO -0.41 0.67 -0.01 0.35 0.00 0.00 0.00 179.25 179.84 3bwb h PHE 192 N 1.09 0.42 0.00 0.00 3.57 -1.35 -1.35 116.94 119.32 3bwb h PHE 192 Ca 0.23 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 3bwb h PHE 192 Cb 0.35 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3bwb h PHE 192 CO 0.03 0.59 -0.40 1.88 -2.23 0.00 0.00 178.31 178.17 3bwb h TYR 193 N 0.13 0.00 -0.33 0.41 0.05 -0.76 -0.24 116.97 116.23 3bwb h TYR 193 Ca 0.06 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.78 3bwb h TYR 193 Cb 0.43 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.16 3bwb h TYR 193 CO 0.04 0.40 -0.03 0.87 -1.05 0.00 0.00 178.16 178.39 3bwb h LYS 194 N 0.00 0.60 -0.26 4.88 1.79 -1.43 -2.00 116.57 120.15 3bwb h LYS 194 Ca -0.00 -0.20 0.02 0.00 -2.18 0.00 0.00 60.65 58.28 3bwb h LYS 194 Cb 0.98 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.56 3bwb h LYS 194 CO 0.05 0.74 0.12 -0.44 -1.08 0.00 0.00 179.45 178.85 3bwb h ASP 195 N 0.39 0.18 -0.81 0.86 3.32 -0.81 -2.18 116.42 117.36 3bwb h ASP 195 Ca 0.09 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.19 3bwb h ASP 195 Cb 0.49 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 3bwb h ASP 195 CO 0.02 0.14 0.52 0.58 -1.72 0.00 0.00 179.24 178.78 3bwb h VAL 196 N 0.27 1.12 -0.61 -1.35 2.07 -1.02 -1.05 116.25 115.66 3bwb h VAL 196 Ca 0.11 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 3bwb h VAL 196 Cb 0.04 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.81 3bwb h VAL 196 CO -0.08 0.18 0.22 0.25 0.02 0.00 0.00 177.57 178.17 3bwb h LEU 197 N 1.00 0.87 -0.29 2.57 5.85 -1.16 -2.96 115.31 121.18 3bwb h LEU 197 Ca 0.33 -0.19 -0.20 0.00 0.84 0.00 0.00 57.88 58.66 3bwb h LEU 197 Cb 0.03 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 3bwb h LEU 197 CO -0.12 0.82 -0.86 0.08 -0.34 0.00 0.00 178.44 178.02 3bwb h ARG 198 N 0.86 0.28 0.00 1.25 0.11 -0.85 -3.15 114.38 112.88 3bwb h ARG 198 Ca 0.20 -0.29 0.00 0.00 0.10 0.00 0.00 59.98 60.00 3bwb h ARG 198 Cb 0.24 0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.40 3bwb h ARG 198 CO -0.01 0.98 0.00 0.44 0.10 0.00 0.00 179.97 181.48 3bwb n ILE 199 N -3.72 0.57 -2.88 0.08 -5.35 -0.45 -1.56 119.36 106.05 3bwb n ILE 199 Ca -0.04 -0.01 -0.37 0.00 -0.27 0.00 0.00 62.75 62.06 3bwb n ILE 199 Cb 0.79 -0.76 -0.06 0.00 -1.74 0.00 0.00 39.64 37.86 3bwb n ILE 199 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3bwb s LEU 200 N -3.91 4.35 0.79 7.28 1.43 -1.12 -0.66 118.68 126.84 3bwb s LEU 200 Ca 0.09 1.71 -0.11 0.00 -1.03 0.00 0.00 54.13 54.79 3bwb s LEU 200 Cb 0.13 -3.87 0.07 0.00 0.03 0.00 0.00 46.19 42.55 3bwb s LEU 200 CO 0.48 -0.03 1.09 -0.54 0.23 0.00 0.00 176.35 177.58 3bwb s LYS 201 N -2.00 2.10 0.36 1.70 1.02 0.46 -3.85 119.74 119.52 3bwb s LYS 201 Ca 0.48 0.88 0.12 0.00 0.02 0.00 0.00 55.97 57.47 3bwb s LYS 201 Cb -0.18 -1.90 0.93 0.00 -0.52 0.00 0.00 37.83 36.16 3bwb s LYS 201 CO 0.23 -1.67 1.79 -1.35 -0.92 0.00 0.00 175.35 173.43 3bwb h PRO 202 N -1.14 0.55 -0.74 -1.68 0.11 -1.95 0.58 132.00 127.73 3bwb h PRO 202 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3bwb h PRO 202 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3bwb h PRO 202 CO 0.56 0.36 0.00 -0.25 -0.21 0.00 0.00 178.00 178.46 3bwb n ASP 203 N -4.68 3.37 -4.77 -2.05 8.00 -1.26 -2.98 116.55 112.18 3bwb n ASP 203 Ca 0.23 -2.44 -0.38 0.00 0.71 0.00 0.00 54.79 52.91 3bwb n ASP 203 Cb 0.70 -0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 41.22 3bwb n ASP 203 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3bwb s GLY 204 N -0.46 2.83 -0.08 0.44 0.00 0.20 -4.81 107.32 105.44 3bwb s GLY 204 Ca 0.28 0.98 0.02 0.00 0.00 0.00 0.00 44.72 46.00 3bwb s GLY 204 CO 0.09 1.48 -0.11 -0.42 0.00 0.00 0.00 173.10 174.13 3bwb s ILE 205 N -1.46 3.28 -0.15 0.90 -1.09 -0.63 -1.57 121.20 120.47 3bwb s ILE 205 Ca 0.61 -0.62 0.02 0.00 -2.23 0.00 0.00 60.65 58.42 3bwb s ILE 205 Cb -0.31 -2.33 0.01 0.00 -1.58 0.00 0.00 42.46 38.26 3bwb s ILE 205 CO 0.38 0.57 -0.20 0.00 -1.23 0.00 0.00 174.94 174.46 3bwb s ASN 208 N 0.61 1.59 0.21 0.00 3.84 0.22 0.56 114.94 121.96 3bwb s ASN 208 Ca 0.01 -0.26 -0.31 0.00 0.21 0.00 0.00 52.86 52.52 3bwb s ASN 208 Cb -0.14 -0.71 -0.10 0.00 -0.55 0.00 0.00 41.25 39.76 3bwb s ASN 208 CO 0.02 0.02 1.47 0.00 -2.79 0.00 0.00 177.10 175.82 3bwb s GLN 209 N 0.65 4.26 0.40 0.43 -2.07 -0.88 0.38 119.66 122.83 3bwb s GLN 209 Ca -0.13 2.28 0.08 0.00 -1.82 0.00 0.00 55.36 55.77 3bwb s GLN 209 Cb -0.15 -3.14 -0.03 0.00 -1.09 0.00 0.00 33.01 28.60 3bwb s GLN 209 CO 0.03 -0.47 0.29 0.20 -1.32 0.00 0.00 175.29 174.02 3bwb s GLY 210 N 0.68 2.13 0.77 2.60 0.00 0.96 -4.76 107.32 109.70 3bwb s GLY 210 Ca 0.63 -1.91 -0.02 0.00 0.00 0.00 0.00 44.72 43.42 3bwb s GLY 210 CO 0.38 -1.74 1.06 -0.54 0.00 0.00 0.00 173.10 172.25 3bwb s GLU 211 N -4.03 1.43 0.32 2.90 0.41 -1.26 -3.71 118.70 114.76 3bwb s GLU 211 Ca 0.44 -1.14 -0.28 0.00 -0.41 0.00 0.00 54.97 53.59 3bwb s GLU 211 Cb -0.02 -2.27 -0.09 0.00 -1.78 0.00 0.00 34.13 29.97 3bwb s GLU 211 CO 0.26 -1.66 1.09 0.45 -0.49 0.00 0.00 175.26 174.91 3bwb s SER 212 N -4.81 7.07 0.05 -0.19 0.15 -1.26 -3.41 113.70 111.30 3bwb s SER 212 Ca 0.69 2.21 0.22 0.00 0.70 0.00 0.00 55.95 59.77 3bwb s SER 212 Cb -0.04 -2.61 0.92 0.00 -1.71 0.00 0.00 66.02 62.58 3bwb s SER 212 CO 0.46 -0.28 1.70 2.30 1.20 0.00 0.00 173.24 178.62 3bwb n ILE 213 N 0.75 0.55 -0.05 6.45 -5.35 -1.26 -2.26 119.36 118.18 3bwb n ILE 213 Ca 0.01 0.10 -0.21 0.00 -0.27 0.00 0.00 62.75 62.37 3bwb n ILE 213 Cb 0.46 -0.78 -0.13 0.00 -1.74 0.00 0.00 39.64 37.46 3bwb n ILE 213 CO 0.00 0.00 0.00 -0.50 -1.76 0.00 0.00 176.55 174.29 3bwb h TRP 214 N 0.00 0.23 0.00 4.28 4.06 -1.92 -3.38 115.95 119.22 3bwb h TRP 214 Ca 0.00 -0.17 -0.33 0.00 2.06 0.00 0.00 58.89 60.45 3bwb h TRP 214 Cb 0.41 -0.01 -0.06 0.00 -1.00 0.00 0.00 29.16 28.50 3bwb h TRP 214 CO 0.00 1.58 -2.06 1.47 -3.56 0.00 0.00 178.44 175.87 3bwb n LEU 215 N -4.05 0.47 -3.04 -4.49 -0.00 -1.24 -4.68 117.00 99.97 3bwb n LEU 215 Ca -0.30 0.20 -0.17 0.00 -0.00 0.00 0.00 56.01 55.75 3bwb n LEU 215 Cb 0.83 0.31 -0.01 0.00 -0.00 0.00 0.00 43.42 44.56 3bwb n LEU 215 CO 0.31 0.45 -0.08 -0.67 -0.00 0.00 0.00 177.39 177.40 3bwb n ASP 216 N -2.90 -0.43 -0.07 1.45 2.03 -0.96 -4.93 116.55 110.73 3bwb n ASP 216 Ca -0.25 -3.10 -0.01 0.00 0.52 0.00 0.00 54.79 51.94 3bwb n ASP 216 Cb 1.11 0.18 0.25 0.00 -0.72 0.00 0.00 41.12 41.94 3bwb n ASP 216 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3bwb h LEU 217 N 3.38 0.64 -0.86 -2.67 5.85 -1.73 -2.89 115.31 117.02 3bwb h LEU 217 Ca 0.02 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3bwb h LEU 217 Cb 0.98 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.80 3bwb h LEU 217 CO 0.40 0.66 0.56 -0.33 -0.34 0.00 0.00 178.44 179.38 3bwb h GLU 218 N 0.67 1.15 -0.46 1.25 3.07 -1.91 -1.64 114.58 116.70 3bwb h GLU 218 Ca 0.15 -0.08 -0.11 0.00 -0.50 0.00 0.00 59.36 58.82 3bwb h GLU 218 Cb 0.29 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 3bwb h GLU 218 CO 0.00 0.77 -0.14 1.25 -1.40 0.00 0.00 179.01 179.49 3bwb h LEU 219 N 1.18 0.92 -0.56 1.33 6.46 -1.91 -2.12 115.31 120.61 3bwb h LEU 219 Ca 0.32 -0.38 0.02 0.00 -0.12 0.00 0.00 57.88 57.73 3bwb h LEU 219 Cb -0.12 -0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 39.52 3bwb h LEU 219 CO -0.07 1.09 0.34 0.40 -0.62 0.00 0.00 178.44 179.58 3bwb h ILE 220 N 0.75 1.06 -0.43 4.05 2.04 -1.27 -2.82 117.51 120.89 3bwb h ILE 220 Ca 0.11 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3bwb h ILE 220 Cb 0.70 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3bwb h ILE 220 CO 0.05 0.12 0.25 -0.33 0.00 0.00 0.00 178.15 178.24 3bwb h GLU 221 N 0.67 0.60 -0.52 2.37 5.08 -1.19 -0.02 114.58 121.57 3bwb h GLU 221 Ca 0.22 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3bwb h GLU 221 Cb 0.02 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3bwb h GLU 221 CO -0.10 0.46 0.00 1.63 -1.00 0.00 0.00 179.01 180.00 3bwb n LYS 222 N -4.72 0.23 0.00 2.33 5.02 -0.81 -1.86 118.16 118.35 3bwb n LYS 222 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3bwb n LYS 222 Cb 0.07 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 3bwb n LYS 222 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3bwb n SER 224 N 0.48 0.00 -0.05 4.39 2.88 -0.02 -0.66 113.62 120.64 3bwb n SER 224 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 3bwb n SER 224 Cb 0.07 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.62 3bwb n SER 224 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3bwb h ARG 225 N 0.00 0.68 -0.54 -1.46 2.43 -1.62 -2.73 114.38 111.14 3bwb h ARG 225 Ca 0.00 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 58.82 3bwb h ARG 225 Cb 0.00 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3bwb h ARG 225 CO 0.00 0.92 0.20 0.35 -1.51 0.00 0.00 179.97 179.93 3bwb h PHE 226 N 0.57 0.85 -0.13 2.20 3.57 -1.15 -0.31 116.94 122.54 3bwb h PHE 226 Ca 0.06 -0.07 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 3bwb h PHE 226 Cb 0.84 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3bwb h PHE 226 CO 0.04 0.70 -0.48 0.82 -2.23 0.00 0.00 178.31 177.16 3bwb h ILE 227 N 0.74 1.33 -0.40 1.41 2.04 -1.81 -1.08 117.51 119.75 3bwb h ILE 227 Ca 0.18 -1.69 -0.08 0.00 1.00 0.00 0.00 64.86 64.27 3bwb h ILE 227 Cb 0.23 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 3bwb h ILE 227 CO -0.01 0.51 -0.08 0.03 0.00 0.00 0.00 178.15 178.60 3bwb h ARG 228 N 0.27 0.75 -0.49 2.37 3.08 -1.28 -3.05 114.38 116.03 3bwb h ARG 228 Ca 0.02 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 3bwb h ARG 228 Cb 0.94 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 3bwb h ARG 228 CO 0.08 0.88 0.27 0.93 -1.07 0.00 0.00 179.97 181.06 3bwb h GLU 229 N 0.57 0.67 -0.63 0.04 4.39 -0.83 -2.60 114.58 116.19 3bwb h GLU 229 Ca 0.10 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.76 3bwb h GLU 229 Cb 0.59 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 3bwb h GLU 229 CO 0.04 0.50 0.41 1.15 -1.16 0.00 0.00 179.01 179.95 3bwb h THR 230 N 0.68 1.12 0.00 1.13 2.02 -1.11 -3.46 112.91 113.29 3bwb h THR 230 Ca 0.18 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3bwb h THR 230 Cb 0.02 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 3bwb h THR 230 CO -0.03 0.14 0.00 0.61 0.37 0.00 0.00 175.52 176.62 3bwb n GLY 231 N -1.45 0.58 3.74 2.16 0.00 -0.98 -4.93 105.19 104.32 3bwb n GLY 231 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3bwb n GLY 231 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3bwb n PHE 232 N 0.00 2.85 0.16 1.61 3.72 -1.16 -4.92 117.46 119.72 3bwb n PHE 232 Ca 0.00 0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 3bwb n PHE 232 Cb 0.00 -2.62 0.24 0.00 -0.94 0.00 0.00 39.48 36.16 3bwb n PHE 232 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3bwb h ALA 233 N 5.19 1.09 -2.44 4.37 0.00 -1.24 -3.41 119.26 122.80 3bwb h ALA 233 Ca -0.46 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 53.86 3bwb h ALA 233 Cb 1.22 -0.08 -0.21 0.00 0.00 0.00 0.00 17.79 18.72 3bwb h ALA 233 CO 0.83 0.66 -0.16 -1.54 0.00 0.00 0.00 179.25 179.04 3bwb s SER 234 N -6.83 -0.36 -0.02 0.00 1.04 -1.13 -4.92 113.70 101.47 3bwb s SER 234 Ca -0.02 0.44 0.01 0.00 0.48 0.00 0.00 55.95 56.86 3bwb s SER 234 Cb 0.13 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.79 3bwb s SER 234 CO 0.74 -0.40 -0.01 0.54 0.98 0.00 0.00 173.24 175.09 3bwb s VAL 235 N -0.87 0.22 -0.01 5.02 0.11 -1.26 -0.91 120.40 122.69 3bwb s VAL 235 Ca -0.09 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.00 3bwb s VAL 235 Cb -0.04 -0.28 -0.00 0.00 -1.53 0.00 0.00 36.38 34.53 3bwb s VAL 235 CO 0.04 0.13 -0.06 -1.10 -3.33 0.00 0.00 175.10 170.78 3bwb s GLN 236 N 0.78 0.52 -0.26 1.54 -1.52 -0.62 -4.87 119.66 115.24 3bwb s GLN 236 Ca -0.08 -0.23 -0.10 0.00 -1.95 0.00 0.00 55.36 53.00 3bwb s GLN 236 Cb -0.11 -0.51 -0.05 0.00 -0.22 0.00 0.00 33.01 32.12 3bwb s GLN 236 CO -0.01 0.14 0.16 -0.47 -0.25 0.00 0.00 175.29 174.86 3bwb s TYR 237 N -0.15 3.24 -0.21 0.91 5.04 -1.26 -0.50 117.35 124.42 3bwb s TYR 237 Ca 0.02 0.11 -0.09 0.00 -2.44 0.00 0.00 57.07 54.68 3bwb s TYR 237 Cb -0.03 -2.32 -0.04 0.00 0.35 0.00 0.00 41.96 39.93 3bwb s TYR 237 CO -0.00 -0.08 0.10 0.00 -1.34 0.00 0.00 175.55 174.22 3bwb s ALA 238 N 1.44 3.44 0.67 3.97 0.00 0.70 -4.47 121.76 127.51 3bwb s ALA 238 Ca 0.07 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.19 3bwb s ALA 238 Cb -0.15 -2.09 0.11 0.00 0.00 0.00 0.00 23.12 20.99 3bwb s ALA 238 CO 0.08 -0.07 0.92 -1.17 0.00 0.00 0.00 175.76 175.52 3bwb s LEU 239 N 0.83 3.04 -0.30 0.00 2.96 0.61 -1.03 118.68 124.78 3bwb s LEU 239 Ca 0.05 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 3bwb s LEU 239 Cb -0.13 -1.91 0.09 0.00 0.50 0.00 0.00 46.19 44.73 3bwb s LEU 239 CO 0.02 -1.67 0.03 -1.00 -1.32 0.00 0.00 176.35 172.41 3bwb s HIS 241 N -2.97 2.82 -0.28 5.38 3.76 -1.26 -4.63 115.29 118.10 3bwb s HIS 241 Ca 0.64 -2.30 0.02 0.00 -0.15 0.00 0.00 55.06 53.28 3bwb s HIS 241 Cb -0.06 -2.19 0.07 0.00 1.11 0.00 0.00 32.58 31.52 3bwb s HIS 241 CO 0.42 -0.88 -0.05 0.08 -0.85 0.00 0.00 174.74 173.47 3bwb s VAL 242 N 1.24 1.96 0.40 -0.90 1.01 -1.12 -4.94 120.40 118.05 3bwb s VAL 242 Ca 0.05 -1.69 0.09 0.00 0.00 0.00 0.00 61.98 60.43 3bwb s VAL 242 Cb -0.19 -2.22 0.19 0.00 0.00 0.00 0.00 36.38 34.16 3bwb s VAL 242 CO -0.12 -0.22 1.96 1.55 0.00 0.00 0.00 175.10 178.27 3bwb h PRO 243 N 7.79 0.29 0.00 2.72 0.13 -1.93 -3.03 132.00 137.97 3bwb h PRO 243 Ca -0.15 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3bwb h PRO 243 Cb 1.04 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3bwb h PRO 243 CO 0.46 0.35 0.00 0.25 -0.23 0.00 0.00 178.00 178.83 3bwb n THR 244 N -4.34 0.47 -2.45 1.56 -2.24 -1.26 -4.58 114.28 101.44 3bwb n THR 244 Ca -0.00 -0.22 -0.40 0.00 -2.27 0.00 0.00 64.05 61.16 3bwb n THR 244 Cb 0.21 -0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 67.83 3bwb n THR 244 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3bwb s TYR 245 N -3.08 3.52 0.16 4.78 5.04 -1.14 -4.87 117.35 121.76 3bwb s TYR 245 Ca 0.11 1.67 -0.10 0.00 -2.44 0.00 0.00 57.07 56.32 3bwb s TYR 245 Cb 0.14 -3.31 0.20 0.00 0.35 0.00 0.00 41.96 39.34 3bwb s TYR 245 CO 0.58 -0.66 1.04 -2.30 -1.34 0.00 0.00 175.55 172.86 3bwb n PRO 246 N 1.08 -0.13 0.00 4.97 -0.02 -1.26 -0.09 135.00 139.55 3bwb n PRO 246 Ca -0.01 1.03 0.11 0.00 -2.02 0.00 0.00 63.50 62.61 3bwb n PRO 246 Cb 0.45 -1.53 -0.03 0.00 -0.02 0.00 0.00 33.50 32.37 3bwb n PRO 246 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bwb n GLY 248 N 1.42 0.78 3.15 0.00 0.00 0.88 -5.02 105.19 106.40 3bwb n GLY 248 Ca 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.02 3bwb n GLY 248 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bwb s SER 249 N -2.07 -1.34 0.84 1.61 1.04 -1.26 -2.79 113.70 109.74 3bwb s SER 249 Ca 0.00 -0.48 -0.12 0.00 0.48 0.00 0.00 55.95 55.83 3bwb s SER 249 Cb 0.00 1.88 0.12 0.00 0.10 0.00 0.00 66.02 68.12 3bwb s SER 249 CO 0.00 -0.23 1.20 -0.51 0.98 0.00 0.00 173.24 174.68 3bwb s ILE 250 N 2.19 2.04 0.18 -1.02 2.07 -1.26 -4.20 121.20 121.20 3bwb s ILE 250 Ca 0.14 -0.06 0.03 0.00 -1.41 0.00 0.00 60.65 59.34 3bwb s ILE 250 Cb -0.07 -2.98 -0.01 0.00 0.13 0.00 0.00 42.46 39.53 3bwb s ILE 250 CO -0.14 0.00 0.19 0.61 -1.91 0.00 0.00 174.94 173.68 3bwb n GLY 251 N -3.40 3.18 3.12 1.50 0.00 -1.22 -4.73 105.19 103.65 3bwb n GLY 251 Ca 0.11 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 3bwb n GLY 251 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3bwb s THR 252 N -2.71 -0.01 -0.36 2.61 -1.32 -0.20 -0.03 115.64 113.62 3bwb s THR 252 Ca 0.20 0.03 -0.20 0.00 -1.21 0.00 0.00 61.69 60.51 3bwb s THR 252 Cb 0.01 -0.37 0.00 0.00 -1.51 0.00 0.00 72.50 70.63 3bwb s THR 252 CO 0.14 0.01 0.63 -0.76 -2.21 0.00 0.00 174.62 172.44 3bwb s LEU 253 N 0.41 4.26 -0.31 9.08 1.43 0.16 -0.22 118.68 133.50 3bwb s LEU 253 Ca -0.02 0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 53.09 3bwb s LEU 253 Cb -0.04 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 3bwb s LEU 253 CO -0.02 -0.59 0.21 -0.69 0.23 0.00 0.00 176.35 175.49 3bwb s VAL 254 N 2.69 5.21 0.01 -1.59 1.01 0.35 -0.61 120.40 127.46 3bwb s VAL 254 Ca 0.24 -0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.20 3bwb s VAL 254 Cb -0.15 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3bwb s VAL 254 CO 0.15 0.10 -0.22 0.00 0.00 0.00 0.00 175.10 175.13 3bwb s SER 256 N -1.03 4.32 -0.00 0.00 0.15 -0.09 -0.46 113.70 116.59 3bwb s SER 256 Ca 0.12 -0.11 -0.19 0.00 0.70 0.00 0.00 55.95 56.47 3bwb s SER 256 Cb -0.10 -1.00 -0.33 0.00 -1.71 0.00 0.00 66.02 62.88 3bwb s SER 256 CO 0.02 0.35 0.96 0.50 1.20 0.00 0.00 173.24 176.27 3bwb h LYS 257 N 5.29 0.44 -6.29 5.44 3.64 -1.55 -0.93 116.57 122.60 3bwb h LYS 257 Ca -0.48 -0.72 -0.55 0.00 -1.27 0.00 0.00 60.65 57.63 3bwb h LYS 257 Cb 1.16 0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 33.23 3bwb h LYS 257 CO 0.51 1.34 0.86 0.21 -2.27 0.00 0.00 179.45 180.10 3bwb s LYS 258 N -2.56 4.27 -0.05 1.90 2.47 -1.16 -3.68 119.74 120.92 3bwb s LYS 258 Ca -0.11 1.86 -0.30 0.00 -1.56 0.00 0.00 55.97 55.86 3bwb s LYS 258 Cb 0.03 -3.67 -0.04 0.00 -1.46 0.00 0.00 37.83 32.68 3bwb s LYS 258 CO 0.89 -0.62 1.39 0.00 0.16 0.00 0.00 175.35 177.18 3bwb s ALA 259 N 2.84 3.60 0.00 3.13 0.00 -1.26 -3.66 121.76 126.40 3bwb s ALA 259 Ca 0.61 0.77 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3bwb s ALA 259 Cb -0.28 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.22 3bwb s ALA 259 CO 0.23 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.36 3bwb n GLY 260 N 3.69 1.48 3.74 0.00 0.00 -1.26 -5.11 105.19 107.74 3bwb n GLY 260 Ca 0.14 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3bwb n GLY 260 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bwb s VAL 261 N -0.50 3.87 -0.48 1.61 -7.23 -1.24 -5.00 120.40 111.42 3bwb s VAL 261 Ca 0.00 1.67 -0.08 0.00 -1.81 0.00 0.00 61.98 61.76 3bwb s VAL 261 Cb 0.00 -4.07 0.12 0.00 0.56 0.00 0.00 36.38 33.00 3bwb s VAL 261 CO 0.00 0.32 0.35 -0.62 -0.31 0.00 0.00 175.10 174.83 3bwb s ASP 262 N -0.34 5.66 0.14 4.85 2.15 -1.26 -4.95 116.67 122.91 3bwb s ASP 262 Ca 0.48 -2.00 0.18 0.00 0.43 0.00 0.00 52.55 51.64 3bwb s ASP 262 Cb -0.29 -1.99 0.78 0.00 -0.30 0.00 0.00 42.92 41.12 3bwb s ASP 262 CO 0.35 -0.66 1.56 1.33 -0.17 0.00 0.00 175.17 177.59 3bwb n VAL 263 N 4.78 0.97 0.57 1.11 0.24 -1.26 -3.04 118.33 121.70 3bwb n VAL 263 Ca -0.06 0.28 0.11 0.00 -2.04 0.00 0.00 64.34 62.62 3bwb n VAL 263 Cb 0.41 -1.14 0.43 0.00 -1.47 0.00 0.00 33.84 32.07 3bwb n VAL 263 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3bwb n THR 264 N -1.88 0.72 -5.07 3.34 -2.24 -1.26 -4.54 114.28 103.36 3bwb n THR 264 Ca 0.02 0.13 -0.31 0.00 -2.27 0.00 0.00 64.05 61.63 3bwb n THR 264 Cb 0.18 -0.91 -0.17 0.00 -2.10 0.00 0.00 70.33 67.33 3bwb n THR 264 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3bwb s LYS 265 N -3.11 2.82 0.17 -0.78 1.02 -1.17 -4.12 119.74 114.57 3bwb s LYS 265 Ca 0.08 -0.80 -0.32 0.00 0.02 0.00 0.00 55.97 54.95 3bwb s LYS 265 Cb 0.11 -2.16 -0.12 0.00 -0.52 0.00 0.00 37.83 35.15 3bwb s LYS 265 CO 0.39 0.14 1.75 -2.30 -0.92 0.00 0.00 175.35 174.42 3bwb n PRO 266 N 3.61 2.70 -0.01 -1.68 -0.02 -1.26 -4.90 135.00 133.44 3bwb n PRO 266 Ca -0.20 0.98 -0.16 0.00 -2.02 0.00 0.00 63.50 62.10 3bwb n PRO 266 Cb 0.53 -2.84 -0.10 0.00 -0.02 0.00 0.00 33.50 31.07 3bwb n PRO 266 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3bwb h LEU 267 N 7.38 0.43 -7.70 2.45 5.85 -1.53 -3.40 115.31 118.79 3bwb h LEU 267 Ca -0.45 -0.73 -0.67 0.00 0.84 0.00 0.00 57.88 56.87 3bwb h LEU 267 Cb 1.22 -0.13 -0.38 0.00 0.37 0.00 0.00 40.66 41.74 3bwb h LEU 267 CO 0.95 1.09 -0.62 -0.13 -0.34 0.00 0.00 178.44 179.39 3bwb s ARG 268 N -3.34 1.81 0.18 1.25 0.52 0.15 -5.03 118.95 114.48 3bwb s ARG 268 Ca -0.14 -1.98 -0.31 0.00 -0.52 0.00 0.00 55.73 52.78 3bwb s ARG 268 Cb 0.03 -3.40 -0.09 0.00 0.52 0.00 0.00 34.95 32.01 3bwb s ARG 268 CO 0.79 -1.03 1.38 -1.25 0.02 0.00 0.00 175.30 175.22 3bwb s PRO 269 N 0.80 4.33 0.65 3.54 0.04 -1.26 -4.68 135.00 138.41 3bwb s PRO 269 Ca 0.11 2.14 0.38 0.00 0.04 0.00 0.00 61.00 63.67 3bwb s PRO 269 Cb -0.21 -3.19 2.12 0.00 0.04 0.00 0.00 34.50 33.26 3bwb s PRO 269 CO -0.05 -0.38 2.24 -0.24 0.04 0.00 0.00 177.00 178.61 3bwb h VAL 270 N 3.90 0.12 0.00 -0.36 3.04 -1.96 -1.52 116.25 119.47 3bwb h VAL 270 Ca -0.44 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.25 3bwb h VAL 270 Cb 1.21 0.92 -0.00 0.00 -2.01 0.00 0.00 31.29 31.41 3bwb h VAL 270 CO 0.82 0.00 -0.01 -0.33 -1.01 0.00 0.00 177.57 177.03 3bwb h GLU 271 N 0.00 0.00 -1.89 4.17 3.07 -1.96 -3.38 114.58 114.60 3bwb h GLU 271 Ca 0.01 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.43 3bwb h GLU 271 Cb 0.19 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 27.93 3bwb h GLU 271 CO -0.00 0.01 0.35 -0.25 -1.40 0.00 0.00 179.01 177.72 3bwb n ASP 272 N -3.17 6.40 -0.00 1.42 10.43 -0.58 -4.95 116.55 126.11 3bwb n ASP 272 Ca -0.02 -3.13 0.04 0.00 2.57 0.00 0.00 54.79 54.25 3bwb n ASP 272 Cb 0.18 -1.20 -0.06 0.00 1.84 0.00 0.00 41.12 41.87 3bwb n ASP 272 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 3bwb n PRO 274 N 0.85 0.77 -0.10 -0.24 -0.04 -1.26 -5.10 135.00 129.87 3bwb n PRO 274 Ca 0.44 -0.06 0.10 0.00 -0.04 0.00 0.00 63.50 63.94 3bwb n PRO 274 Cb 0.58 -1.15 0.33 0.00 -0.04 0.00 0.00 33.50 33.23 3bwb n PRO 274 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3bwb n PHE 275 N -1.70 0.27 -0.29 0.54 1.16 -1.26 -4.41 117.46 111.77 3bwb n PHE 275 Ca -0.01 -0.14 0.07 0.00 -1.87 0.00 0.00 57.45 55.51 3bwb n PHE 275 Cb 0.20 0.00 0.22 0.00 -1.61 0.00 0.00 39.48 38.29 3bwb n PHE 275 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3bwb h ALA 276 N 4.09 1.23 0.00 1.98 0.00 -1.93 -1.55 119.26 123.08 3bwb h ALA 276 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3bwb h ALA 276 Cb 0.56 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3bwb h ALA 276 CO 0.00 -0.16 0.00 1.63 0.00 0.00 0.00 179.25 180.72 3bwb n LYS 277 N -4.93 0.00 0.11 0.00 5.02 -1.26 -2.96 118.16 114.14 3bwb n LYS 277 Ca 0.17 0.09 0.13 0.00 -2.02 0.00 0.00 58.31 56.67 3bwb n LYS 277 Cb 0.46 -1.50 0.34 0.00 -0.02 0.00 0.00 35.03 34.30 3bwb n LYS 277 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3bwb h ASP 278 N 0.00 0.00 -3.80 4.39 3.32 -1.59 -3.47 116.42 115.28 3bwb h ASP 278 Ca 0.00 -0.04 -0.49 0.00 0.02 0.00 0.00 57.03 56.52 3bwb h ASP 278 Cb 0.42 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 3bwb h ASP 278 CO 0.00 0.02 0.40 -0.76 -1.72 0.00 0.00 179.24 177.18 3bwb s LEU 279 N -4.61 4.55 0.06 1.55 1.43 -1.15 -4.97 118.68 115.53 3bwb s LEU 279 Ca 0.09 2.07 0.19 0.00 -1.03 0.00 0.00 54.13 55.45 3bwb s LEU 279 Cb 0.12 -3.70 -0.14 0.00 0.03 0.00 0.00 46.19 42.50 3bwb s LEU 279 CO 0.63 -0.02 0.76 0.29 0.23 0.00 0.00 176.35 178.24 3bwb n LYS 280 N 1.17 0.63 0.06 1.70 4.01 -1.26 -4.80 118.16 119.67 3bwb n LYS 280 Ca -0.01 0.13 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 3bwb n LYS 280 Cb 0.47 -1.75 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 3bwb n LYS 280 CO 0.00 0.00 0.00 0.98 -1.11 0.00 0.00 177.40 177.27 3bwb n TYR 281 N -2.75 -0.54 -2.31 2.13 9.36 -1.26 -5.08 117.16 116.71 3bwb n TYR 281 Ca -0.09 0.10 -0.41 0.00 3.32 0.00 0.00 57.90 60.82 3bwb n TYR 281 Cb 0.77 0.15 -0.03 0.00 -0.63 0.00 0.00 39.34 39.60 3bwb n TYR 281 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 3bwb s TYR 282 N -1.76 3.35 0.37 2.98 5.04 -1.26 -5.04 117.35 121.03 3bwb s TYR 282 Ca 0.00 1.38 -0.05 0.00 -2.44 0.00 0.00 57.07 55.95 3bwb s TYR 282 Cb 0.00 -3.50 0.02 0.00 0.35 0.00 0.00 41.96 38.83 3bwb s TYR 282 CO 0.00 -1.44 0.58 -0.40 -1.34 0.00 0.00 175.55 172.95 3bwb n ASP 283 N 2.29 -1.64 0.03 4.32 5.68 -1.26 -4.86 116.55 121.11 3bwb n ASP 283 Ca 0.04 -2.88 0.02 0.00 -0.50 0.00 0.00 54.79 51.47 3bwb n ASP 283 Cb 0.44 2.95 0.36 0.00 -1.14 0.00 0.00 41.12 43.73 3bwb n ASP 283 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3bwb h SER 284 N 2.04 0.42 0.00 -1.12 0.02 -1.98 -1.22 113.55 111.71 3bwb h SER 284 Ca -0.30 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3bwb h SER 284 Cb 1.24 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3bwb h SER 284 CO 0.39 0.46 0.00 -0.62 -1.14 0.00 0.00 176.83 175.92 3bwb n GLU 285 N -4.34 0.58 0.00 3.45 -0.58 -1.26 -2.13 120.64 116.36 3bwb n GLU 285 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3bwb n GLU 285 Cb 0.20 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 3bwb n GLU 285 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 3bwb n HIS 287 N 0.64 0.00 -0.16 -0.32 -0.00 -0.46 -1.57 115.22 113.35 3bwb n HIS 287 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 3bwb n HIS 287 Cb 0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.26 3bwb n HIS 287 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 3bwb h LYS 288 N 0.00 0.82 0.00 1.57 1.57 -1.58 -3.04 116.57 115.91 3bwb h LYS 288 Ca 0.00 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 3bwb h LYS 288 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3bwb h LYS 288 CO 0.00 0.88 -0.22 0.00 -0.57 0.00 0.00 179.45 179.54 3bwb h ALA 289 N 0.91 1.39 0.00 3.86 0.00 -1.57 -3.07 119.26 120.77 3bwb h ALA 289 Ca 0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3bwb h ALA 289 Cb 0.52 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3bwb h ALA 289 CO 0.03 0.27 -0.13 0.66 0.00 0.00 0.00 179.25 180.07 3bwb h SER 290 N 0.00 0.00 0.00 0.00 4.64 -1.79 -2.70 113.55 113.71 3bwb h SER 290 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bwb h SER 290 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3bwb h SER 290 CO 0.03 0.13 -0.03 0.49 -0.87 0.00 0.00 176.83 176.58 3bwb n PHE 291 N -3.37 0.00 -2.95 4.77 3.72 -1.16 -0.29 117.46 118.18 3bwb n PHE 291 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 3bwb n PHE 291 Cb 0.33 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.81 3bwb n PHE 291 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3bwb s ALA 292 N -2.05 3.38 0.12 4.37 0.00 -1.02 -4.97 121.76 121.59 3bwb s ALA 292 Ca 0.34 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.61 3bwb s ALA 292 Cb 0.21 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 3bwb s ALA 292 CO 0.35 -1.62 0.07 -0.51 0.00 0.00 0.00 175.76 174.04 3bwb s LEU 293 N 3.19 3.66 0.69 0.00 1.43 -1.26 -4.93 118.68 121.46 3bwb s LEU 293 Ca 0.31 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 53.12 3bwb s LEU 293 Cb -0.13 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 3bwb s LEU 293 CO 0.19 0.13 0.65 -2.65 0.23 0.00 0.00 176.35 174.90 3bwb n PRO 294 N 0.19 0.42 -0.23 1.29 -0.02 -1.26 -4.61 135.00 130.78 3bwb n PRO 294 Ca -0.09 0.18 0.02 0.00 -2.02 0.00 0.00 63.50 61.60 3bwb n PRO 294 Cb 0.53 -1.92 0.14 0.00 -0.02 0.00 0.00 33.50 32.23 3bwb n PRO 294 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bwb h ARG 295 N -0.19 0.40 0.00 -0.52 3.08 -1.99 0.35 114.38 115.51 3bwb h ARG 295 Ca -0.46 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.56 3bwb h ARG 295 Cb 1.35 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 3bwb h ARG 295 CO 0.45 0.26 -0.02 0.27 -1.07 0.00 0.00 179.97 179.86 3bwb h PHE 296 N 0.41 0.00 -0.21 3.04 -5.15 -2.03 -2.10 116.94 110.89 3bwb h PHE 296 Ca 0.36 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.13 3bwb h PHE 296 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.67 3bwb h PHE 296 CO -0.18 0.02 0.00 0.00 -2.00 0.00 0.00 178.31 176.15 3bwb n ALA 297 N -2.28 2.32 0.13 12.09 0.00 -0.11 -4.76 120.51 127.90 3bwb n ALA 297 Ca -0.03 -0.90 -0.00 0.00 0.00 0.00 0.00 53.44 52.51 3bwb n ALA 297 Cb 0.11 -0.43 0.26 0.00 0.00 0.00 0.00 19.45 19.39 3bwb n ALA 297 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3bwb h ARG 298 N 2.19 0.12 -0.17 0.00 2.43 -0.29 -3.01 114.38 115.65 3bwb h ARG 298 Ca 0.00 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3bwb h ARG 298 Cb 0.63 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 3bwb h ARG 298 CO 0.00 0.53 0.20 1.12 -1.51 0.00 0.00 179.97 180.31 3bwb h HIS 299 N 0.10 0.00 -0.80 2.20 2.07 -1.84 -2.36 115.15 114.53 3bwb h HIS 299 Ca 0.01 0.00 0.10 0.00 -2.85 0.00 0.00 60.37 57.63 3bwb h HIS 299 Cb 0.81 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.71 3bwb h HIS 299 CO 0.01 0.00 0.44 0.82 -3.07 0.00 0.00 177.93 176.12 3bwb h ILE 300 N 0.00 0.87 -0.41 6.12 2.04 -1.92 -2.33 117.51 121.89 3bwb h ILE 300 Ca 0.08 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3bwb h ILE 300 Cb 0.48 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3bwb h ILE 300 CO -0.00 0.13 0.00 0.59 0.00 0.00 0.00 178.15 178.87 3bwb n ASN 301 N -4.79 3.18 0.00 1.72 3.02 -0.90 -4.82 115.26 112.68 3bwb n ASN 301 Ca 0.13 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 3bwb n ASN 301 Cb 0.29 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 3bwb n ASN 301 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23