#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bw5 s ASP 8 N 0.00 6.51 0.52 6.55 2.15 -1.26 -4.89 116.67 126.25 2bw5 s ASP 8 Ca 0.00 2.53 0.18 0.00 0.43 0.00 0.00 52.55 55.69 2bw5 s ASP 8 Cb 0.00 -2.53 1.32 0.00 -0.30 0.00 0.00 42.92 41.41 2bw5 s ASP 8 CO 0.00 -1.02 2.15 0.40 -0.17 0.00 0.00 175.17 176.52 2bw5 h ILE 9 N 5.63 0.94 0.00 4.11 2.04 -2.05 -1.36 117.51 126.82 2bw5 h ILE 9 Ca -0.46 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.31 2bw5 h ILE 9 Cb 1.22 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2bw5 h ILE 9 CO 0.94 0.02 0.00 -1.54 0.00 0.00 0.00 178.15 177.58 2bw5 n SER 10 N -4.39 0.14 -0.05 1.72 3.41 -1.26 -1.76 113.62 111.42 2bw5 n SER 10 Ca -0.03 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.24 2bw5 n SER 10 Cb 0.11 -0.56 0.41 0.00 -0.26 0.00 0.00 64.21 63.91 2bw5 n SER 10 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2bw5 n THR 11 N -1.65 0.00 -2.88 6.66 -2.24 -0.51 -4.94 114.28 108.72 2bw5 n THR 11 Ca 0.03 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.47 2bw5 n THR 11 Cb 0.18 0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.41 2bw5 n THR 11 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2bw5 s LEU 12 N -2.84 3.89 0.60 3.22 1.43 -0.72 -5.04 118.68 119.22 2bw5 s LEU 12 Ca 0.17 1.31 -0.19 0.00 -1.03 0.00 0.00 54.13 54.38 2bw5 s LEU 12 Cb 0.18 -4.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 2bw5 s LEU 12 CO 0.60 -0.36 1.25 -2.65 0.23 0.00 0.00 176.35 175.42 2bw5 n PRO 13 N -0.95 1.28 -4.68 1.29 -0.02 -1.26 -4.80 135.00 125.86 2bw5 n PRO 13 Ca 0.04 0.49 -0.34 0.00 -2.02 0.00 0.00 63.50 61.67 2bw5 n PRO 13 Cb 0.54 -2.47 -0.12 0.00 -0.02 0.00 0.00 33.50 31.43 2bw5 n PRO 13 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2bw5 s ARG 14 N -3.07 2.76 -0.03 -0.52 0.52 -1.26 -1.19 118.95 116.16 2bw5 s ARG 14 Ca 0.77 -0.58 0.02 0.00 -0.52 0.00 0.00 55.73 55.42 2bw5 s ARG 14 Cb -0.40 -2.56 0.01 0.00 0.52 0.00 0.00 34.95 32.52 2bw5 s ARG 14 CO 0.45 0.62 -0.06 0.54 0.02 0.00 0.00 175.30 176.86 2bw5 s VAL 15 N -0.69 0.59 -0.21 3.52 0.11 -0.62 -4.98 120.40 118.12 2bw5 s VAL 15 Ca 0.10 -0.23 -0.13 0.00 -2.93 0.00 0.00 61.98 58.79 2bw5 s VAL 15 Cb -0.11 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 2bw5 s VAL 15 CO 0.01 0.20 0.28 -0.75 -3.33 0.00 0.00 175.10 171.51 2bw5 s LYS 16 N 0.39 4.15 0.03 1.54 2.47 -1.26 -0.33 119.74 126.72 2bw5 s LYS 16 Ca -0.05 -0.02 -0.14 0.00 -1.56 0.00 0.00 55.97 54.20 2bw5 s LYS 16 Cb -0.09 -3.51 -0.06 0.00 -1.46 0.00 0.00 37.83 32.71 2bw5 s LYS 16 CO 0.00 0.07 0.43 0.08 0.16 0.00 0.00 175.35 176.09 2bw5 s VAL 17 N 1.01 5.00 -0.30 4.02 1.01 -0.24 -4.94 120.40 125.97 2bw5 s VAL 17 Ca 0.14 0.82 -0.06 0.00 0.00 0.00 0.00 61.98 62.88 2bw5 s VAL 17 Cb -0.14 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2bw5 s VAL 17 CO 0.05 0.52 0.07 -1.81 0.00 0.00 0.00 175.10 173.93 2bw5 s ASP 18 N -1.21 5.08 0.75 3.32 1.01 -1.26 -4.65 116.67 119.71 2bw5 s ASP 18 Ca 0.26 -0.87 -0.11 0.00 0.71 0.00 0.00 52.55 52.54 2bw5 s ASP 18 Cb -0.16 -1.85 0.04 0.00 1.01 0.00 0.00 42.92 41.96 2bw5 s ASP 18 CO 0.15 -0.23 1.08 -0.76 0.21 0.00 0.00 175.17 175.62 2bw5 s LEU 19 N 1.44 2.97 0.21 1.23 1.43 -1.26 -4.80 118.68 119.90 2bw5 s LEU 19 Ca 0.01 1.63 0.06 0.00 -1.03 0.00 0.00 54.13 54.80 2bw5 s LEU 19 Cb -0.18 -4.39 -0.05 0.00 0.03 0.00 0.00 46.19 41.61 2bw5 s LEU 19 CO 0.02 -1.77 -0.11 0.68 0.23 0.00 0.00 176.35 175.40 2bw5 s VAL 20 N -3.01 1.51 0.20 -1.59 -7.23 -1.26 -4.98 120.40 104.04 2bw5 s VAL 20 Ca 0.60 -2.14 -0.30 0.00 -1.81 0.00 0.00 61.98 58.32 2bw5 s VAL 20 Cb -0.15 -2.09 -0.08 0.00 0.56 0.00 0.00 36.38 34.61 2bw5 s VAL 20 CO 0.55 -0.56 1.03 -0.54 -0.31 0.00 0.00 175.10 175.28 2bw5 s LYS 21 N -3.71 4.69 0.62 4.82 1.02 -1.26 -4.61 119.74 121.32 2bw5 s LYS 21 Ca 0.23 1.62 -0.19 0.00 0.02 0.00 0.00 55.97 57.65 2bw5 s LYS 21 Cb 0.01 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 2bw5 s LYS 21 CO 0.06 0.25 1.28 -0.35 -0.92 0.00 0.00 175.35 175.67 2bw5 n PRO 22 N 1.98 1.22 -0.07 -1.68 -0.04 -1.26 -2.17 135.00 132.99 2bw5 n PRO 22 Ca 0.01 0.47 0.11 0.00 -0.04 0.00 0.00 63.50 64.04 2bw5 n PRO 22 Cb 0.47 -2.51 0.40 0.00 -0.04 0.00 0.00 33.50 31.82 2bw5 n PRO 22 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2bw5 n PRO 23 N -1.63 1.65 -1.45 0.54 -0.04 -1.26 -5.04 135.00 127.77 2bw5 n PRO 23 Ca 0.15 -0.98 -0.30 0.00 -0.04 0.00 0.00 63.50 62.33 2bw5 n PRO 23 Cb 0.47 -1.39 0.09 0.00 -0.04 0.00 0.00 33.50 32.64 2bw5 n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2bw5 s PHE 24 N -1.82 2.75 -0.02 0.54 0.08 -0.92 -0.89 117.98 117.69 2bw5 s PHE 24 Ca 0.32 1.26 0.02 0.00 0.12 0.00 0.00 56.93 58.65 2bw5 s PHE 24 Cb 0.17 -3.08 0.00 0.00 -0.57 0.00 0.00 43.02 39.54 2bw5 s PHE 24 CO 0.26 -1.81 -0.07 0.08 -0.10 0.00 0.00 175.22 173.57 2bw5 s VAL 25 N -3.07 0.62 0.21 -0.44 1.01 -1.26 -4.65 120.40 112.82 2bw5 s VAL 25 Ca 0.61 -0.29 -0.32 0.00 0.00 0.00 0.00 61.98 61.98 2bw5 s VAL 25 Cb -0.15 -0.55 -0.13 0.00 0.00 0.00 0.00 36.38 35.55 2bw5 s VAL 25 CO 0.55 0.19 1.63 0.00 0.00 0.00 0.00 175.10 177.48 2bw5 n HIS 26 N 3.20 2.58 -1.55 5.22 1.44 -1.26 -4.91 115.22 119.93 2bw5 n HIS 26 Ca -0.17 0.17 -0.46 0.00 -2.01 0.00 0.00 57.72 55.26 2bw5 n HIS 26 Cb 0.55 -2.61 -0.02 0.00 0.12 0.00 0.00 29.99 28.03 2bw5 n HIS 26 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2bw5 n ALA 27 N 3.32 -0.85 -3.69 1.59 0.00 -1.26 -4.96 120.51 114.67 2bw5 n ALA 27 Ca 0.15 0.42 -0.09 0.00 0.00 0.00 0.00 53.44 53.91 2bw5 n ALA 27 Cb 0.33 -1.95 0.01 0.00 0.00 0.00 0.00 19.45 17.84 2bw5 n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2bw5 s HIS 28 N -0.83 0.18 -0.11 0.00 -3.43 -1.26 -5.05 115.29 104.79 2bw5 s HIS 28 Ca 0.63 -0.76 -0.02 0.00 -0.80 0.00 0.00 55.06 54.12 2bw5 s HIS 28 Cb -0.78 0.68 -0.03 0.00 -1.43 0.00 0.00 32.58 31.02 2bw5 s HIS 28 CO 0.57 -1.44 -0.05 -0.51 -2.00 0.00 0.00 174.74 171.32 2bw5 s ASP 29 N -3.06 4.79 0.00 7.38 1.01 -1.26 -5.03 116.67 120.50 2bw5 s ASP 29 Ca 0.17 -0.05 -0.24 0.00 0.71 0.00 0.00 52.55 53.13 2bw5 s ASP 29 Cb -0.05 -1.51 -0.15 0.00 1.01 0.00 0.00 42.92 42.22 2bw5 s ASP 29 CO 0.12 0.27 1.11 1.56 0.21 0.00 0.00 175.17 178.43 2bw5 h GLN 30 N 5.95 -0.59 -5.92 8.23 4.20 -1.97 -3.42 115.11 121.57 2bw5 h GLN 30 Ca -0.40 0.04 -0.57 0.00 0.06 0.00 0.00 58.65 57.78 2bw5 h GLN 30 Cb 1.19 0.14 -0.07 0.00 0.30 0.00 0.00 27.48 29.03 2bw5 h GLN 30 CO 0.58 -0.29 0.12 0.08 -0.67 0.00 0.00 178.83 178.64 2bw5 s VAL 31 N -4.47 5.03 0.02 -0.54 1.01 -1.26 -3.59 120.40 116.61 2bw5 s VAL 31 Ca -0.13 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.92 2bw5 s VAL 31 Cb 0.02 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 2bw5 s VAL 31 CO 0.46 0.20 1.79 0.00 0.00 0.00 0.00 175.10 177.56 2bw5 s ALA 32 N 1.18 3.63 -2.23 5.51 0.00 -0.05 -4.88 121.76 124.93 2bw5 s ALA 32 Ca 0.35 1.20 0.26 0.00 0.00 0.00 0.00 51.96 53.77 2bw5 s ALA 32 Cb -0.17 -3.78 0.74 0.00 0.00 0.00 0.00 23.12 19.91 2bw5 s ALA 32 CO 0.15 -1.39 1.56 1.63 0.00 0.00 0.00 175.76 177.71 2bw5 n LYS 33 N 6.84 1.38 -4.41 0.00 5.02 -1.26 -4.91 118.16 120.82 2bw5 n LYS 33 Ca 0.18 -0.90 -0.21 0.00 -2.02 0.00 0.00 58.31 55.36 2bw5 n LYS 33 Cb 0.41 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.85 2bw5 n LYS 33 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2bw5 s THR 34 N -2.24 0.58 0.22 -0.18 -4.23 -1.26 -5.17 115.64 103.37 2bw5 s THR 34 Ca 0.30 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.77 2bw5 s THR 34 Cb 0.20 -2.51 0.05 0.00 1.34 0.00 0.00 72.50 71.58 2bw5 s THR 34 CO 0.42 0.00 0.23 0.61 -0.54 0.00 0.00 174.62 175.35 2bw5 n GLY 35 N -0.70 -2.02 3.68 3.99 0.00 -1.26 -4.97 105.19 103.90 2bw5 n GLY 35 Ca -0.02 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 2bw5 n GLY 35 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bw5 n PRO 36 N -1.94 1.26 -4.16 1.61 -0.04 -1.26 -5.01 135.00 125.46 2bw5 n PRO 36 Ca 0.03 0.47 -0.10 0.00 -0.04 0.00 0.00 63.50 63.86 2bw5 n PRO 36 Cb 0.12 -2.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.10 2bw5 n PRO 36 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2bw5 s ARG 37 N -2.85 0.81 -0.36 0.54 0.52 -1.26 -4.41 118.95 111.94 2bw5 s ARG 37 Ca 0.75 -1.31 -0.20 0.00 -0.52 0.00 0.00 55.73 54.44 2bw5 s ARG 37 Cb -0.42 -0.19 0.00 0.00 0.52 0.00 0.00 34.95 34.86 2bw5 s ARG 37 CO 0.47 -0.02 0.63 0.08 0.02 0.00 0.00 175.30 176.49 2bw5 s VAL 38 N -3.56 4.89 -0.35 3.52 1.01 -0.34 -1.18 120.40 124.39 2bw5 s VAL 38 Ca 0.11 0.56 -0.13 0.00 0.00 0.00 0.00 61.98 62.52 2bw5 s VAL 38 Cb 0.05 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 2bw5 s VAL 38 CO -0.05 -0.32 0.25 -0.69 0.00 0.00 0.00 175.10 174.29 2bw5 s VAL 39 N 2.71 5.26 -0.16 2.92 1.01 0.13 -1.59 120.40 130.68 2bw5 s VAL 39 Ca 0.24 -0.31 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 2bw5 s VAL 39 Cb -0.14 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2bw5 s VAL 39 CO 0.15 -0.07 0.35 -1.61 0.00 0.00 0.00 175.10 173.92 2bw5 s GLU 40 N 1.71 4.25 0.10 2.72 2.02 0.55 -1.01 118.70 129.04 2bw5 s GLU 40 Ca 0.06 0.17 0.07 0.00 0.02 0.00 0.00 54.97 55.29 2bw5 s GLU 40 Cb -0.18 -3.46 -0.03 0.00 0.10 0.00 0.00 34.13 30.56 2bw5 s GLU 40 CO 0.10 0.15 -0.18 -0.06 0.02 0.00 0.00 175.26 175.29 2bw5 s PHE 41 N 0.71 1.60 -0.04 1.61 0.40 -0.36 -1.08 117.98 120.82 2bw5 s PHE 41 Ca 0.19 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 56.11 2bw5 s PHE 41 Cb -0.14 -0.87 0.00 0.00 0.51 0.00 0.00 43.02 42.52 2bw5 s PHE 41 CO 0.06 0.17 -0.14 0.99 0.70 0.00 0.00 175.22 177.00 2bw5 s THR 42 N -1.32 1.17 0.00 0.64 2.01 -1.26 -0.83 115.64 116.05 2bw5 s THR 42 Ca 0.05 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.50 2bw5 s THR 42 Cb -0.09 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.39 2bw5 s THR 42 CO 0.04 0.35 -0.08 -0.04 -0.69 0.00 0.00 174.62 174.20 2bw5 s MET 43 N 0.14 0.61 -0.19 4.92 -1.94 -0.46 -4.92 119.30 117.45 2bw5 s MET 43 Ca -0.04 -0.36 -0.03 0.00 -1.71 0.00 0.00 55.69 53.56 2bw5 s MET 43 Cb -0.11 -0.56 -0.01 0.00 2.01 0.00 0.00 34.83 36.16 2bw5 s MET 43 CO 0.02 0.15 -0.07 0.99 -0.01 0.00 0.00 175.02 176.09 2bw5 s THR 44 N -0.36 3.24 0.25 2.05 2.01 -1.26 -1.30 115.64 120.27 2bw5 s THR 44 Ca 0.01 -0.55 -0.30 0.00 0.31 0.00 0.00 61.69 61.16 2bw5 s THR 44 Cb -0.04 -2.44 -0.09 0.00 0.01 0.00 0.00 72.50 69.94 2bw5 s THR 44 CO -0.00 0.46 1.24 -0.63 -0.69 0.00 0.00 174.62 175.00 2bw5 s ILE 45 N 1.14 3.20 -0.15 1.82 1.01 0.09 -0.43 121.20 127.88 2bw5 s ILE 45 Ca 0.01 1.09 -0.02 0.00 0.00 0.00 0.00 60.65 61.74 2bw5 s ILE 45 Cb -0.14 -3.70 0.05 0.00 0.01 0.00 0.00 42.46 38.68 2bw5 s ILE 45 CO -0.02 0.21 0.01 -1.61 0.00 0.00 0.00 174.94 173.53 2bw5 s GLU 46 N -0.88 0.79 -0.10 2.79 2.02 -0.18 -4.44 118.70 118.70 2bw5 s GLU 46 Ca 0.51 -0.28 -0.28 0.00 0.02 0.00 0.00 54.97 54.94 2bw5 s GLU 46 Cb -0.36 -1.74 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 2bw5 s GLU 46 CO 0.42 -0.50 0.94 -1.21 0.02 0.00 0.00 175.26 174.94 2bw5 s GLU 47 N 1.85 4.42 -0.02 1.61 2.02 -1.26 -1.50 118.70 125.82 2bw5 s GLU 47 Ca 0.01 1.27 -0.22 0.00 0.02 0.00 0.00 54.97 56.06 2bw5 s GLU 47 Cb -0.15 -3.53 0.04 0.00 0.10 0.00 0.00 34.13 30.59 2bw5 s GLU 47 CO -0.07 -0.24 0.47 -1.59 0.02 0.00 0.00 175.26 173.84 2bw5 s LYS 48 N 1.78 0.86 0.23 1.61 -2.85 -0.70 -4.98 119.74 115.68 2bw5 s LYS 48 Ca 0.46 -0.05 -0.30 0.00 -1.00 0.00 0.00 55.97 55.09 2bw5 s LYS 48 Cb -0.18 0.39 -0.09 0.00 -2.06 0.00 0.00 37.83 35.89 2bw5 s LYS 48 CO 0.18 -0.26 1.18 0.15 0.10 0.00 0.00 175.35 176.70 2bw5 s LYS 49 N -1.45 4.52 -0.01 1.78 1.02 -1.26 -0.23 119.74 124.11 2bw5 s LYS 49 Ca -0.11 1.89 0.03 0.00 0.02 0.00 0.00 55.97 57.79 2bw5 s LYS 49 Cb -0.03 -3.21 -0.01 0.00 -0.52 0.00 0.00 37.83 34.07 2bw5 s LYS 49 CO 0.05 -0.01 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.88 2bw5 s LEU 50 N -0.76 1.97 -0.19 3.17 1.43 -0.34 -4.89 118.68 119.07 2bw5 s LEU 50 Ca 0.50 -0.17 -0.18 0.00 -1.03 0.00 0.00 54.13 53.24 2bw5 s LEU 50 Cb -0.33 -0.50 -0.03 0.00 0.03 0.00 0.00 46.19 45.36 2bw5 s LEU 50 CO 0.40 0.11 0.50 -0.69 0.23 0.00 0.00 176.35 176.89 2bw5 s VAL 51 N -0.14 5.13 -0.74 -1.59 1.01 -1.26 -0.64 120.40 122.17 2bw5 s VAL 51 Ca 0.02 0.93 0.10 0.00 0.00 0.00 0.00 61.98 63.03 2bw5 s VAL 51 Cb -0.05 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2bw5 s VAL 51 CO -0.00 0.21 0.55 2.30 0.00 0.00 0.00 175.10 178.15 2bw5 n ILE 52 N 4.40 0.00 -4.08 2.22 -5.35 -0.16 -4.82 119.36 111.57 2bw5 n ILE 52 Ca -0.05 -0.35 -0.12 0.00 -0.27 0.00 0.00 62.75 61.95 2bw5 n ILE 52 Cb 0.51 1.07 -0.06 0.00 -1.74 0.00 0.00 39.64 39.42 2bw5 n ILE 52 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2bw5 s ASP 53 N -1.55 0.43 0.47 7.28 1.47 -1.26 -1.09 116.67 122.42 2bw5 s ASP 53 Ca 0.07 -1.27 0.30 0.00 1.18 0.00 0.00 52.55 52.82 2bw5 s ASP 53 Cb 0.08 0.58 1.11 0.00 -0.34 0.00 0.00 42.92 44.35 2bw5 s ASP 53 CO 0.30 -1.16 1.87 0.03 0.68 0.00 0.00 175.17 176.89 2bw5 h ARG 54 N 2.25 0.00 0.00 2.11 2.47 -1.96 -2.70 114.38 116.55 2bw5 h ARG 54 Ca -0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 2bw5 h ARG 54 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.57 2bw5 h ARG 54 CO 0.40 0.00 0.00 0.93 0.56 0.00 0.00 179.97 181.86 2bw5 h GLU 55 N 0.00 0.00 0.00 0.04 3.07 -2.02 -3.47 114.58 112.20 2bw5 h GLU 55 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2bw5 h GLU 55 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 2bw5 h GLU 55 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 2bw5 n GLY 56 N 0.73 0.83 3.69 -3.84 0.00 -1.02 -5.03 105.19 100.54 2bw5 n GLY 56 Ca 0.04 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 2bw5 n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2bw5 n THR 57 N -2.35 0.32 -5.03 2.61 -1.04 -1.26 -4.85 114.28 102.69 2bw5 n THR 57 Ca 0.00 -0.06 -0.32 0.00 -2.04 0.00 0.00 64.05 61.63 2bw5 n THR 57 Cb 0.00 -2.05 -0.15 0.00 -1.82 0.00 0.00 70.33 66.30 2bw5 n THR 57 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2bw5 s GLU 58 N 2.55 2.97 0.35 -2.82 2.12 -1.26 -0.99 118.70 121.62 2bw5 s GLU 58 Ca 0.82 -0.79 0.09 0.00 0.36 0.00 0.00 54.97 55.44 2bw5 s GLU 58 Cb -0.51 -2.40 -0.07 0.00 0.26 0.00 0.00 34.13 31.41 2bw5 s GLU 58 CO 0.38 0.30 -0.07 0.96 -0.54 0.00 0.00 175.26 176.29 2bw5 s ILE 59 N 0.07 2.10 -0.66 -3.70 -4.36 0.19 -4.94 121.20 109.90 2bw5 s ILE 59 Ca -0.08 -2.16 -0.17 0.00 -0.26 0.00 0.00 60.65 57.98 2bw5 s ILE 59 Cb -0.15 -2.68 0.14 0.00 1.25 0.00 0.00 42.46 41.02 2bw5 s ILE 59 CO 0.05 -0.18 0.70 -1.00 0.24 0.00 0.00 174.94 174.75 2bw5 s HIS 60 N -2.69 3.26 0.45 1.37 3.76 -1.26 -1.20 115.29 118.98 2bw5 s HIS 60 Ca 0.33 -1.34 -0.13 0.00 -0.15 0.00 0.00 55.06 53.77 2bw5 s HIS 60 Cb 0.04 -3.93 -0.07 0.00 1.11 0.00 0.00 32.58 29.73 2bw5 s HIS 60 CO 0.16 -1.16 0.86 0.00 -0.85 0.00 0.00 174.74 173.75 2bw5 s ALA 61 N 1.78 3.23 -0.20 -1.40 0.00 0.68 -4.92 121.76 120.95 2bw5 s ALA 61 Ca 0.12 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.04 2bw5 s ALA 61 Cb -0.21 -2.87 0.03 0.00 0.00 0.00 0.00 23.12 20.07 2bw5 s ALA 61 CO 0.00 -0.11 -0.14 -1.64 0.00 0.00 0.00 175.76 173.87 2bw5 s MET 62 N -3.96 2.44 0.11 0.00 -1.94 -0.31 -1.72 119.30 113.92 2bw5 s MET 62 Ca 0.54 -0.89 0.08 0.00 -1.71 0.00 0.00 55.69 53.72 2bw5 s MET 62 Cb -0.10 -2.51 -0.04 0.00 2.01 0.00 0.00 34.83 34.20 2bw5 s MET 62 CO 0.32 -0.35 -0.20 0.95 -0.01 0.00 0.00 175.02 175.73 2bw5 s THR 63 N 1.32 1.72 -0.29 2.05 -4.23 -0.56 -1.84 115.64 113.80 2bw5 s THR 63 Ca 0.00 -1.62 -0.17 0.00 -1.18 0.00 0.00 61.69 58.73 2bw5 s THR 63 Cb -0.15 -1.61 -0.02 0.00 1.34 0.00 0.00 72.50 72.06 2bw5 s THR 63 CO -0.10 -0.12 0.46 -0.36 -0.54 0.00 0.00 174.62 173.96 2bw5 s PHE 64 N -1.37 3.23 -1.07 3.99 0.08 -1.26 -1.01 117.98 120.57 2bw5 s PHE 64 Ca 0.08 0.39 0.00 0.00 0.12 0.00 0.00 56.93 57.52 2bw5 s PHE 64 Cb -0.09 -2.73 0.00 0.00 -0.57 0.00 0.00 43.02 39.63 2bw5 s PHE 64 CO 0.05 -0.35 0.00 0.09 -0.10 0.00 0.00 175.22 174.91 2bw5 n ASN 65 N 5.53 -4.44 0.00 1.36 4.13 0.43 -3.35 115.26 118.92 2bw5 n ASN 65 Ca -0.06 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.45 2bw5 n ASN 65 Cb 0.50 -2.83 0.00 0.00 -1.54 0.00 0.00 39.78 35.91 2bw5 n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bw5 n GLY 66 N -1.45 0.73 3.38 7.41 0.00 -1.26 -4.98 105.19 109.02 2bw5 n GLY 66 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 2bw5 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bw5 s SER 67 N -2.98 2.93 -0.18 1.61 1.04 -1.21 -5.02 113.70 109.88 2bw5 s SER 67 Ca 0.00 -0.94 0.01 0.00 0.48 0.00 0.00 55.95 55.50 2bw5 s SER 67 Cb 0.00 -0.19 0.02 0.00 0.10 0.00 0.00 66.02 65.95 2bw5 s SER 67 CO 0.00 -0.04 -0.18 -0.69 0.98 0.00 0.00 173.24 173.31 2bw5 s VAL 68 N -2.38 1.99 1.07 5.02 1.01 -1.26 -3.07 120.40 122.79 2bw5 s VAL 68 Ca 0.21 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 61.11 2bw5 s VAL 68 Cb -0.04 -1.84 0.23 0.00 0.00 0.00 0.00 36.38 34.73 2bw5 s VAL 68 CO 0.09 0.48 1.07 -2.16 0.00 0.00 0.00 175.10 174.57 2bw5 s PRO 69 N 1.30 -0.19 0.96 2.72 0.04 -1.26 -2.04 135.00 136.54 2bw5 s PRO 69 Ca 0.04 0.58 -0.10 0.00 0.04 0.00 0.00 61.00 61.56 2bw5 s PRO 69 Cb -0.14 -1.66 0.17 0.00 0.04 0.00 0.00 34.50 32.91 2bw5 s PRO 69 CO -0.12 -3.17 1.11 0.41 0.04 0.00 0.00 177.00 175.28 2bw5 n GLY 70 N -0.41 -0.64 3.75 0.56 0.00 -0.02 -4.73 105.19 103.70 2bw5 n GLY 70 Ca 0.04 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 2bw5 n GLY 70 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bw5 s PRO 71 N -4.58 2.57 -0.10 1.61 0.04 -1.26 -4.44 135.00 128.83 2bw5 s PRO 71 Ca 0.67 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 63.06 2bw5 s PRO 71 Cb -0.23 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 2bw5 s PRO 71 CO 0.59 -1.48 1.11 -1.17 0.04 0.00 0.00 177.00 176.09 2bw5 s LEU 72 N -4.79 4.24 -0.01 -3.56 2.96 -1.26 -4.18 118.68 112.07 2bw5 s LEU 72 Ca 0.72 1.65 -0.11 0.00 -0.22 0.00 0.00 54.13 56.17 2bw5 s LEU 72 Cb -0.26 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.82 2bw5 s LEU 72 CO 0.41 -0.55 0.33 -0.04 -1.32 0.00 0.00 176.35 175.18 2bw5 s MET 73 N 2.32 3.75 -0.07 1.98 -1.94 -0.92 -4.51 119.30 119.91 2bw5 s MET 73 Ca 0.52 0.21 0.01 0.00 -1.71 0.00 0.00 55.69 54.71 2bw5 s MET 73 Cb -0.21 -3.16 0.02 0.00 2.01 0.00 0.00 34.83 33.48 2bw5 s MET 73 CO 0.18 0.69 -0.09 0.08 -0.01 0.00 0.00 175.02 175.87 2bw5 s VAL 74 N -1.14 0.95 0.36 -6.03 1.01 -1.26 -0.17 120.40 114.11 2bw5 s VAL 74 Ca 0.24 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.94 2bw5 s VAL 74 Cb -0.15 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 2bw5 s VAL 74 CO 0.12 0.33 0.22 1.33 0.00 0.00 0.00 175.10 177.10 2bw5 n VAL 75 N 4.17 0.00 -4.23 2.92 0.24 -0.17 -4.99 118.33 116.27 2bw5 n VAL 75 Ca -0.20 -2.37 -0.24 0.00 -2.04 0.00 0.00 64.34 59.48 2bw5 n VAL 75 Cb 0.51 1.05 -0.07 0.00 -1.47 0.00 0.00 33.84 33.87 2bw5 n VAL 75 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2bw5 s HIS 76 N -3.23 2.83 0.18 6.34 3.76 -1.26 -0.95 115.29 122.97 2bw5 s HIS 76 Ca 0.32 -0.17 -0.33 0.00 -0.15 0.00 0.00 55.06 54.72 2bw5 s HIS 76 Cb 0.02 -1.29 -0.14 0.00 1.11 0.00 0.00 32.58 32.28 2bw5 s HIS 76 CO 0.22 0.57 1.51 -1.91 -0.85 0.00 0.00 174.74 174.28 2bw5 n GLU 77 N -0.75 2.05 -0.99 1.40 2.13 0.32 -1.44 120.64 123.35 2bw5 n GLU 77 Ca -0.08 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.48 2bw5 n GLU 77 Cb 0.58 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.83 2bw5 n GLU 77 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2bw5 n ASN 78 N 2.96 -3.95 -4.70 4.31 5.03 0.21 -4.75 115.26 114.37 2bw5 n ASN 78 Ca 0.15 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.30 2bw5 n ASN 78 Cb 0.29 -1.62 0.14 0.00 -1.02 0.00 0.00 39.78 37.57 2bw5 n ASN 78 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2bw5 s ASP 79 N -2.03 3.37 -0.16 6.41 1.01 -0.52 -4.67 116.67 120.07 2bw5 s ASP 79 Ca 0.00 1.81 -0.07 0.00 0.71 0.00 0.00 52.55 55.00 2bw5 s ASP 79 Cb 0.00 -2.42 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 2bw5 s ASP 79 CO 0.00 -2.75 0.07 -0.31 0.21 0.00 0.00 175.17 172.39 2bw5 s TYR 80 N -2.79 3.31 -0.24 4.23 1.51 -0.32 -1.08 117.35 121.97 2bw5 s TYR 80 Ca 0.64 0.18 -0.15 0.00 -1.01 0.00 0.00 57.07 56.73 2bw5 s TYR 80 Cb -0.20 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.58 2bw5 s TYR 80 CO 0.58 0.29 0.38 0.08 -1.11 0.00 0.00 175.55 175.77 2bw5 s VAL 81 N 0.03 5.18 -0.27 0.71 1.01 0.20 -0.69 120.40 126.57 2bw5 s VAL 81 Ca 0.06 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.68 2bw5 s VAL 81 Cb -0.12 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.61 2bw5 s VAL 81 CO 0.01 0.20 -0.07 -0.70 0.00 0.00 0.00 175.10 174.53 2bw5 s GLU 82 N 1.75 2.34 -0.19 2.72 2.12 -0.18 -1.11 118.70 126.15 2bw5 s GLU 82 Ca 0.17 -1.30 -0.04 0.00 0.36 0.00 0.00 54.97 54.16 2bw5 s GLU 82 Cb -0.15 -2.98 -0.02 0.00 0.26 0.00 0.00 34.13 31.24 2bw5 s GLU 82 CO 0.09 -0.57 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.03 2bw5 s LEU 83 N 1.16 3.05 -0.32 2.70 2.96 0.11 -1.22 118.68 127.13 2bw5 s LEU 83 Ca -0.07 -0.27 -0.20 0.00 -0.22 0.00 0.00 54.13 53.37 2bw5 s LEU 83 Cb -0.20 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.73 2bw5 s LEU 83 CO -0.04 0.06 0.59 -0.60 -1.32 0.00 0.00 176.35 175.05 2bw5 s ARG 84 N 0.99 3.83 -0.21 1.98 3.52 -0.01 -1.24 118.95 127.81 2bw5 s ARG 84 Ca 0.00 0.17 -0.04 0.00 -0.13 0.00 0.00 55.73 55.73 2bw5 s ARG 84 Cb -0.15 -3.75 -0.01 0.00 -1.56 0.00 0.00 34.95 29.48 2bw5 s ARG 84 CO 0.01 -0.58 -0.03 -1.17 -0.81 0.00 0.00 175.30 172.72 2bw5 s LEU 85 N 2.54 3.02 -0.12 -0.88 2.96 0.15 -1.35 118.68 125.00 2bw5 s LEU 85 Ca 0.23 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.83 2bw5 s LEU 85 Cb -0.15 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 2bw5 s LEU 85 CO 0.12 0.02 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.39 2bw5 s ILE 86 N 1.27 2.92 -0.52 6.68 1.01 -0.42 -1.52 121.20 130.63 2bw5 s ILE 86 Ca 0.03 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 2bw5 s ILE 86 Cb -0.14 -2.21 0.13 0.00 0.01 0.00 0.00 42.46 40.25 2bw5 s ILE 86 CO -0.01 0.53 0.30 0.21 0.00 0.00 0.00 174.94 175.98 2bw5 s ASN 87 N 0.33 5.06 0.74 3.58 3.84 -0.21 -0.73 114.94 127.54 2bw5 s ASN 87 Ca -0.12 -2.56 -0.15 0.00 0.21 0.00 0.00 52.86 50.25 2bw5 s ASN 87 Cb -0.16 -1.79 0.04 0.00 -0.55 0.00 0.00 41.25 38.79 2bw5 s ASN 87 CO 0.06 -0.40 1.20 -2.16 -2.79 0.00 0.00 177.10 173.01 2bw5 s PRO 88 N 0.36 2.10 0.00 0.43 0.04 -1.26 -0.32 135.00 136.35 2bw5 s PRO 88 Ca 0.14 1.72 0.12 0.00 0.04 0.00 0.00 61.00 63.02 2bw5 s PRO 88 Cb -0.22 -1.83 0.56 0.00 0.04 0.00 0.00 34.50 33.05 2bw5 s PRO 88 CO -0.04 -1.86 1.37 -0.40 0.04 0.00 0.00 177.00 176.11 2bw5 n ASP 89 N -2.81 0.00 0.12 6.66 5.68 -1.26 -1.61 116.55 123.32 2bw5 n ASP 89 Ca 0.13 0.37 0.13 0.00 -0.50 0.00 0.00 54.79 54.92 2bw5 n ASP 89 Cb 0.50 -0.43 0.43 0.00 -1.14 0.00 0.00 41.12 40.49 2bw5 n ASP 89 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2bw5 n THR 90 N -1.43 0.68 -1.82 2.12 -2.24 -1.26 -4.80 114.28 105.53 2bw5 n THR 90 Ca 0.04 -0.12 -0.30 0.00 -2.27 0.00 0.00 64.05 61.40 2bw5 n THR 90 Cb 0.13 -0.78 0.05 0.00 -2.10 0.00 0.00 70.33 67.63 2bw5 n THR 90 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2bw5 s ASN 91 N -4.48 5.31 -0.17 3.42 0.01 -0.63 -4.99 114.94 113.40 2bw5 s ASN 91 Ca 0.08 1.18 0.10 0.00 -0.71 0.00 0.00 52.86 53.51 2bw5 s ASN 91 Cb 0.11 -1.98 -0.18 0.00 0.41 0.00 0.00 41.25 39.62 2bw5 s ASN 91 CO 0.53 -1.43 -0.02 0.41 -1.51 0.00 0.00 177.10 175.08 2bw5 n THR 92 N -3.07 1.12 -4.21 1.60 -1.04 -1.26 -4.76 114.28 102.66 2bw5 n THR 92 Ca 0.07 -0.60 -0.23 0.00 -2.04 0.00 0.00 64.05 61.25 2bw5 n THR 92 Cb 0.57 -0.79 -0.06 0.00 -1.82 0.00 0.00 70.33 68.23 2bw5 n THR 92 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2bw5 s LEU 93 N -5.51 3.49 0.23 -4.42 1.43 -1.26 -4.84 118.68 107.81 2bw5 s LEU 93 Ca -0.14 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 2bw5 s LEU 93 Cb 0.05 -2.02 -0.09 0.00 0.03 0.00 0.00 46.19 44.17 2bw5 s LEU 93 CO 0.59 -0.01 1.25 -0.22 0.23 0.00 0.00 176.35 178.19 2bw5 s LEU 94 N -3.73 4.45 0.16 1.79 0.20 -1.26 -4.00 118.68 116.28 2bw5 s LEU 94 Ca 0.32 2.39 -0.02 0.00 0.69 0.00 0.00 54.13 57.51 2bw5 s LEU 94 Cb -0.07 -3.62 -0.04 0.00 -0.43 0.00 0.00 46.19 42.03 2bw5 s LEU 94 CO 0.22 -0.43 0.11 -1.00 -0.29 0.00 0.00 176.35 174.96 2bw5 s HIS 95 N -0.35 0.90 0.00 5.38 3.76 -0.91 -4.90 115.29 119.17 2bw5 s HIS 95 Ca 0.52 -1.22 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 2bw5 s HIS 95 Cb -0.35 -0.45 0.00 0.00 1.11 0.00 0.00 32.58 32.89 2bw5 s HIS 95 CO 0.41 -0.59 0.00 0.27 -0.85 0.00 0.00 174.74 173.98 2bw5 n ASN 96 N -0.17 0.00 -3.75 1.40 6.94 -1.26 -0.77 115.26 117.66 2bw5 n ASN 96 Ca -0.03 -0.69 -0.12 0.00 -0.02 0.00 0.00 54.58 53.72 2bw5 n ASN 96 Cb 0.64 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.95 2bw5 n ASN 96 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2bw5 s ILE 97 N -2.78 -0.02 -0.23 1.53 2.07 -1.26 -4.15 121.20 116.36 2bw5 s ILE 97 Ca 0.00 0.06 -0.00 0.00 -1.41 0.00 0.00 60.65 59.30 2bw5 s ILE 97 Cb 0.00 -0.44 0.03 0.00 0.13 0.00 0.00 42.46 42.18 2bw5 s ILE 97 CO 0.00 0.02 -0.10 -0.62 -1.91 0.00 0.00 174.94 172.33 2bw5 s ASP 98 N 0.69 4.05 -0.27 4.50 -1.08 0.43 -1.55 116.67 123.43 2bw5 s ASP 98 Ca -0.04 -0.88 -0.18 0.00 -0.52 0.00 0.00 52.55 50.93 2bw5 s ASP 98 Cb -0.06 -1.60 -0.03 0.00 -1.46 0.00 0.00 42.92 39.78 2bw5 s ASP 98 CO -0.04 -0.10 0.50 -0.36 0.52 0.00 0.00 175.17 175.69 2bw5 s PHE 99 N 1.29 3.25 -0.15 -5.34 0.08 0.00 -1.26 117.98 115.85 2bw5 s PHE 99 Ca 0.00 0.56 0.28 0.00 0.12 0.00 0.00 56.93 57.89 2bw5 s PHE 99 Cb -0.16 -2.74 1.28 0.00 -0.57 0.00 0.00 43.02 40.83 2bw5 s PHE 99 CO -0.07 -0.31 1.84 0.45 -0.10 0.00 0.00 175.22 177.03 2bw5 h HIS 100 N 8.09 0.00 0.00 0.36 3.86 -1.37 -1.85 115.15 124.24 2bw5 h HIS 100 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 2bw5 h HIS 100 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 2bw5 h HIS 100 CO 0.75 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.54 2bw5 h ALA 101 N 2.12 1.00 -2.07 2.45 0.00 -1.91 -3.47 119.26 117.38 2bw5 h ALA 101 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 2bw5 h ALA 101 Cb 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2bw5 h ALA 101 CO 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 179.25 178.89 2bw5 s ALA 102 N -3.42 3.99 -0.17 0.00 0.00 -0.70 -4.49 121.76 116.98 2bw5 s ALA 102 Ca 0.04 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.75 2bw5 s ALA 102 Cb 0.08 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.45 2bw5 s ALA 102 CO 0.55 0.10 -0.19 0.99 0.00 0.00 0.00 175.76 177.22 2bw5 s THR 103 N -2.10 1.96 0.00 0.00 2.01 -1.26 -4.69 115.64 111.55 2bw5 s THR 103 Ca 0.39 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.51 2bw5 s THR 103 Cb -0.09 -1.77 0.00 0.00 0.01 0.00 0.00 72.50 70.64 2bw5 s THR 103 CO 0.31 0.52 0.00 0.61 -0.69 0.00 0.00 174.62 175.37 2bw5 n GLY 104 N 4.59 2.70 4.05 4.40 0.00 -1.26 -4.94 105.19 114.73 2bw5 n GLY 104 Ca -0.20 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 2bw5 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bw5 n ALA 105 N 0.64 -1.80 -3.75 4.61 0.00 -1.26 -0.55 120.51 118.39 2bw5 n ALA 105 Ca 0.00 -0.21 -0.26 0.00 0.00 0.00 0.00 53.44 52.97 2bw5 n ALA 105 Cb 0.00 -2.00 0.05 0.00 0.00 0.00 0.00 19.45 17.50 2bw5 n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2bw5 n LEU 106 N -4.42 -3.00 -0.24 0.00 4.77 -1.26 -1.15 117.00 111.70 2bw5 n LEU 106 Ca -0.21 -0.69 -0.03 0.00 -0.03 0.00 0.00 56.01 55.06 2bw5 n LEU 106 Cb 0.63 -2.78 -0.01 0.00 -2.33 0.00 0.00 43.42 38.93 2bw5 n LEU 106 CO 0.79 0.53 -0.03 0.61 -1.33 0.00 0.00 177.39 177.96 2bw5 n GLY 107 N -1.77 0.55 0.00 -0.72 0.00 0.28 -2.18 105.19 101.35 2bw5 n GLY 107 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2bw5 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bw5 n GLY 108 N -1.47 1.97 0.29 -0.02 0.00 -0.30 -0.82 105.19 104.84 2bw5 n GLY 108 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.00 2bw5 n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bw5 h GLY 109 N 0.00 0.61 2.00 -0.02 0.00 -0.69 -1.58 103.07 103.39 2bw5 h GLY 109 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2bw5 h GLY 109 CO 0.00 0.30 0.00 0.00 0.00 0.00 0.00 176.54 176.84 2bw5 h ALA 110 N 1.56 1.00 -0.01 3.60 0.00 -1.64 -3.17 119.26 120.61 2bw5 h ALA 110 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2bw5 h ALA 110 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2bw5 h ALA 110 CO -0.01 0.00 -0.42 1.28 0.00 0.00 0.00 179.25 180.11 2bw5 n LEU 111 N -2.37 1.23 -0.11 0.00 4.77 -0.62 -4.68 117.00 115.22 2bw5 n LEU 111 Ca 0.02 -0.68 0.09 0.00 -0.03 0.00 0.00 56.01 55.41 2bw5 n LEU 111 Cb 0.24 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.46 2bw5 n LEU 111 CO 0.21 0.25 0.54 0.35 -1.33 0.00 0.00 177.39 177.41 2bw5 n THR 112 N -0.54 1.72 -2.10 -5.08 -2.24 -1.05 -4.96 114.28 100.03 2bw5 n THR 112 Ca 0.05 -2.07 -0.43 0.00 -2.27 0.00 0.00 64.05 59.34 2bw5 n THR 112 Cb 0.27 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.31 2bw5 n THR 112 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2bw5 s GLN 113 N -2.62 3.90 -0.14 -0.78 -0.21 -1.26 -4.23 119.66 114.32 2bw5 s GLN 113 Ca 0.29 1.79 0.00 0.00 0.02 0.00 0.00 55.36 57.46 2bw5 s GLN 113 Cb 0.25 -4.01 0.02 0.00 1.00 0.00 0.00 33.01 30.27 2bw5 s GLN 113 CO 0.03 -1.17 -0.12 0.14 -2.12 0.00 0.00 175.29 172.04 2bw5 s VAL 114 N 4.88 1.42 0.71 1.09 -7.23 0.05 -4.99 120.40 116.32 2bw5 s VAL 114 Ca 0.71 -0.54 -0.11 0.00 -1.81 0.00 0.00 61.98 60.24 2bw5 s VAL 114 Cb -0.27 -1.35 0.02 0.00 0.56 0.00 0.00 36.38 35.34 2bw5 s VAL 114 CO 0.28 0.43 1.07 0.20 -0.31 0.00 0.00 175.10 176.78 2bw5 s ASN 115 N 1.53 5.17 0.18 4.85 0.01 -1.26 -2.14 114.94 123.28 2bw5 s ASN 115 Ca 0.04 1.70 -0.33 0.00 -0.71 0.00 0.00 52.86 53.56 2bw5 s ASN 115 Cb -0.13 -2.51 -0.15 0.00 0.41 0.00 0.00 41.25 38.88 2bw5 s ASN 115 CO -0.10 -1.58 1.31 -2.65 -1.51 0.00 0.00 177.10 172.57 2bw5 n PRO 116 N -3.13 1.53 -0.34 -0.60 -0.02 -1.26 -1.56 135.00 129.63 2bw5 n PRO 116 Ca 0.08 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2bw5 n PRO 116 Cb 0.53 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2bw5 n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bw5 n GLY 117 N 2.30 0.68 3.59 -1.23 0.00 0.56 -4.74 105.19 106.36 2bw5 n GLY 117 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 2bw5 n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bw5 s GLU 118 N -0.66 2.07 0.18 1.61 2.02 -0.60 -4.88 118.70 118.44 2bw5 s GLU 118 Ca 0.00 -1.58 -0.01 0.00 0.02 0.00 0.00 54.97 53.41 2bw5 s GLU 118 Cb 0.00 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 2bw5 s GLU 118 CO 0.00 0.32 0.10 -1.83 0.02 0.00 0.00 175.26 173.87 2bw5 s GLU 119 N -3.63 1.13 0.08 1.61 -1.05 -1.26 -1.04 118.70 114.54 2bw5 s GLU 119 Ca 0.31 -1.58 -0.19 0.00 -0.15 0.00 0.00 54.97 53.37 2bw5 s GLU 119 Cb -0.05 0.22 0.04 0.00 -0.44 0.00 0.00 34.13 33.90 2bw5 s GLU 119 CO 0.18 -0.34 0.45 -0.08 0.95 0.00 0.00 175.26 176.42 2bw5 s THR 120 N -4.09 0.05 -0.11 1.83 -1.32 -0.57 -5.00 115.64 106.43 2bw5 s THR 120 Ca 0.34 -0.41 0.01 0.00 -1.21 0.00 0.00 61.69 60.42 2bw5 s THR 120 Cb 0.07 -1.04 0.02 0.00 -1.51 0.00 0.00 72.50 70.04 2bw5 s THR 120 CO 0.09 -0.23 -0.13 -0.89 -2.21 0.00 0.00 174.62 171.25 2bw5 s THR 121 N -3.05 1.35 -0.05 5.08 2.01 -1.26 -0.68 115.64 119.05 2bw5 s THR 121 Ca -0.02 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.45 2bw5 s THR 121 Cb 0.00 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 2bw5 s THR 121 CO -0.06 0.41 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.99 2bw5 s LEU 122 N 1.12 3.19 -0.03 4.42 2.96 -0.37 -4.95 118.68 125.01 2bw5 s LEU 122 Ca -0.05 -0.04 0.05 0.00 -0.22 0.00 0.00 54.13 53.87 2bw5 s LEU 122 Cb -0.14 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 2bw5 s LEU 122 CO -0.03 0.34 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.57 2bw5 s ARG 123 N -0.97 1.66 0.04 1.98 3.52 -1.26 -0.71 118.95 123.21 2bw5 s ARG 123 Ca 0.14 -0.64 -0.03 0.00 -0.13 0.00 0.00 55.73 55.06 2bw5 s ARG 123 Cb -0.11 -1.52 -0.02 0.00 -1.56 0.00 0.00 34.95 31.74 2bw5 s ARG 123 CO 0.03 0.32 0.04 -0.59 -0.81 0.00 0.00 175.30 174.29 2bw5 s PHE 124 N -0.20 0.28 -0.14 5.12 -0.12 -0.27 -4.98 117.98 117.68 2bw5 s PHE 124 Ca 0.01 -0.63 -0.21 0.00 -0.05 0.00 0.00 56.93 56.05 2bw5 s PHE 124 Cb -0.09 -0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.06 2bw5 s PHE 124 CO 0.01 -0.33 0.62 0.21 -0.05 0.00 0.00 175.22 175.67 2bw5 s LYS 125 N -2.65 4.31 -1.26 1.99 2.20 -1.26 -0.62 119.74 122.45 2bw5 s LYS 125 Ca -0.05 0.66 -0.15 0.00 -0.36 0.00 0.00 55.97 56.07 2bw5 s LYS 125 Cb -0.01 -3.51 0.13 0.00 -1.51 0.00 0.00 37.83 32.93 2bw5 s LYS 125 CO -0.05 -0.06 1.61 0.00 -0.36 0.00 0.00 175.35 176.49 2bw5 n ALA 126 N 4.36 3.95 0.79 3.13 0.00 -0.24 -4.73 120.51 127.77 2bw5 n ALA 126 Ca -0.03 -4.10 0.13 0.00 0.00 0.00 0.00 53.44 49.45 2bw5 n ALA 126 Cb 0.51 -3.26 0.50 0.00 0.00 0.00 0.00 19.45 17.19 2bw5 n ALA 126 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2bw5 n THR 127 N 5.15 0.34 -4.76 0.00 -2.24 -1.26 -0.62 114.28 110.89 2bw5 n THR 127 Ca 0.42 -0.16 -0.26 0.00 -2.27 0.00 0.00 64.05 61.77 2bw5 n THR 127 Cb 0.43 -0.55 -0.17 0.00 -2.10 0.00 0.00 70.33 67.95 2bw5 n THR 127 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2bw5 s LYS 128 N -3.06 2.02 0.24 -0.78 1.02 -1.26 -4.78 119.74 113.15 2bw5 s LYS 128 Ca 0.12 -0.54 -0.24 0.00 0.02 0.00 0.00 55.97 55.33 2bw5 s LYS 128 Cb 0.15 -1.63 -0.09 0.00 -0.52 0.00 0.00 37.83 35.75 2bw5 s LYS 128 CO 0.57 0.09 0.83 -1.25 -0.92 0.00 0.00 175.35 174.66 2bw5 s PRO 129 N 0.52 4.48 0.00 -1.68 0.04 -1.26 -4.79 135.00 132.31 2bw5 s PRO 129 Ca -0.14 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.03 2bw5 s PRO 129 Cb -0.16 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.41 2bw5 s PRO 129 CO 0.05 0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.90 2bw5 n GLY 130 N 0.92 0.59 3.86 0.56 0.00 0.27 -2.80 105.19 108.59 2bw5 n GLY 130 Ca -0.02 -1.50 -0.37 0.00 0.00 0.00 0.00 46.02 44.13 2bw5 n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bw5 s VAL 131 N -1.73 5.28 0.01 1.61 -7.23 0.32 -0.02 120.40 118.64 2bw5 s VAL 131 Ca 0.00 0.48 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 2bw5 s VAL 131 Cb 0.00 -3.55 -0.01 0.00 0.56 0.00 0.00 36.38 33.38 2bw5 s VAL 131 CO 0.00 0.58 -0.03 -0.36 -0.31 0.00 0.00 175.10 174.98 2bw5 s PHE 132 N -1.08 0.24 0.43 2.82 0.40 0.25 -4.39 117.98 116.65 2bw5 s PHE 132 Ca 0.20 -0.31 -0.24 0.00 -0.60 0.00 0.00 56.93 55.99 2bw5 s PHE 132 Cb -0.14 -0.16 -0.08 0.00 0.51 0.00 0.00 43.02 43.14 2bw5 s PHE 132 CO 0.09 -0.10 1.14 0.08 0.70 0.00 0.00 175.22 177.13 2bw5 s VAL 133 N -0.83 3.27 0.11 -0.44 1.01 -1.26 -0.64 120.40 121.62 2bw5 s VAL 133 Ca -0.08 0.99 0.09 0.00 0.00 0.00 0.00 61.98 62.98 2bw5 s VAL 133 Cb -0.06 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2bw5 s VAL 133 CO -0.00 0.02 -0.23 -0.72 0.00 0.00 0.00 175.10 174.17 2bw5 s TYR 134 N -1.54 1.95 0.06 5.22 -0.85 -0.83 -1.00 117.35 120.36 2bw5 s TYR 134 Ca 0.60 -0.41 -0.26 0.00 -0.52 0.00 0.00 57.07 56.48 2bw5 s TYR 134 Cb -0.27 -1.06 0.08 0.00 0.38 0.00 0.00 41.96 41.08 2bw5 s TYR 134 CO 0.34 0.24 0.67 -3.38 -1.52 0.00 0.00 175.55 171.90 2bw5 s HIS 135 N -1.13 -0.56 0.52 -3.49 -3.43 -0.38 -0.89 115.29 105.93 2bw5 s HIS 135 Ca 0.09 0.60 -0.21 0.00 -0.80 0.00 0.00 55.06 54.74 2bw5 s HIS 135 Cb -0.10 0.50 -0.06 0.00 -1.43 0.00 0.00 32.58 31.49 2bw5 s HIS 135 CO 0.05 -0.72 1.16 0.00 -2.00 0.00 0.00 174.74 173.22 2bw5 n ALA 137 N -1.05 -0.97 -2.55 0.00 0.00 -1.26 -4.48 120.51 110.19 2bw5 n ALA 137 Ca 0.10 -1.61 -0.42 0.00 0.00 0.00 0.00 53.44 51.51 2bw5 n ALA 137 Cb 0.50 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 2bw5 n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2bw5 s PRO 138 N 0.46 4.45 0.05 0.00 0.02 -1.26 -4.88 135.00 133.85 2bw5 s PRO 138 Ca 0.32 1.59 -0.37 0.00 0.02 0.00 0.00 61.00 62.56 2bw5 s PRO 138 Cb 0.23 -3.45 -0.17 0.00 0.02 0.00 0.00 34.50 31.13 2bw5 s PRO 138 CO -0.22 -0.24 1.32 -1.91 -0.33 0.00 0.00 177.00 175.62 2bw5 n GLU 139 N 4.32 0.98 -0.27 5.54 2.13 -1.26 -0.92 120.64 131.16 2bw5 n GLU 139 Ca 0.08 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.26 2bw5 n GLU 139 Cb 0.48 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 30.21 2bw5 n GLU 139 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bw5 n GLY 140 N 2.46 1.97 2.66 8.31 0.00 -1.26 -4.81 105.19 114.52 2bw5 n GLY 140 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 2bw5 n GLY 140 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2bw5 n MET 141 N -2.00 1.48 0.31 1.61 0.00 -0.09 -4.99 117.12 113.44 2bw5 n MET 141 Ca 0.00 -2.75 -0.16 0.00 0.00 0.00 0.00 57.70 54.78 2bw5 n MET 141 Cb 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 33.22 32.21 2bw5 n MET 141 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2bw5 h VAL 142 N 5.27 0.39 0.00 3.17 2.07 -1.84 -2.75 116.25 122.56 2bw5 h VAL 142 Ca -0.24 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 2bw5 h VAL 142 Cb 1.32 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2bw5 h VAL 142 CO 0.07 0.03 -0.31 1.55 0.02 0.00 0.00 177.57 178.92 2bw5 h PRO 143 N -0.90 0.00 -0.25 1.57 0.13 -1.93 -2.14 132.00 128.47 2bw5 h PRO 143 Ca -0.08 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.06 2bw5 h PRO 143 Cb 0.64 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 2bw5 h PRO 143 CO 0.13 0.31 0.16 2.35 -0.23 0.00 0.00 178.00 180.72 2bw5 h TRP 144 N 0.00 0.30 -0.33 1.56 7.01 -1.94 -0.13 115.95 122.41 2bw5 h TRP 144 Ca -0.00 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 2bw5 h TRP 144 Cb 0.58 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 2bw5 h TRP 144 CO 0.00 0.18 0.06 0.45 -2.79 0.00 0.00 178.44 176.35 2bw5 h HIS 145 N 0.32 0.58 -0.22 2.65 3.86 -1.14 -1.86 115.15 119.33 2bw5 h HIS 145 Ca 0.10 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2bw5 h HIS 145 Cb -0.02 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 2bw5 h HIS 145 CO -0.07 0.61 0.08 0.28 0.86 0.00 0.00 177.93 179.69 2bw5 h VAL 146 N 0.38 1.17 -0.01 2.45 2.07 -1.28 -2.40 116.25 118.64 2bw5 h VAL 146 Ca 0.10 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2bw5 h VAL 146 Cb 0.33 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2bw5 h VAL 146 CO 0.00 0.17 0.00 0.35 0.02 0.00 0.00 177.57 178.12 2bw5 n THR 147 N -4.80 0.01 1.14 2.57 -2.24 -0.07 -1.85 114.28 109.04 2bw5 n THR 147 Ca -0.03 -0.03 0.11 0.00 -2.27 0.00 0.00 64.05 61.83 2bw5 n THR 147 Cb 0.13 -0.34 0.36 0.00 -2.10 0.00 0.00 70.33 68.39 2bw5 n THR 147 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2bw5 n SER 148 N -0.81 1.93 0.00 3.42 7.64 -0.70 -4.55 113.62 120.55 2bw5 n SER 148 Ca 0.20 -1.73 0.00 0.00 1.01 0.00 0.00 58.87 58.35 2bw5 n SER 148 Cb 0.12 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 2bw5 n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bw5 n GLY 149 N 1.20 1.02 2.83 0.23 0.00 -0.77 -1.17 105.19 108.54 2bw5 n GLY 149 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2bw5 n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2bw5 n MET 150 N -1.55 4.11 -3.52 1.61 0.00 -0.76 -4.53 117.12 112.48 2bw5 n MET 150 Ca 0.00 -3.87 -0.16 0.00 0.00 0.00 0.00 57.70 53.67 2bw5 n MET 150 Cb 0.00 -2.74 -0.05 0.00 0.00 0.00 0.00 33.22 30.43 2bw5 n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2bw5 s ASN 151 N -0.10 -0.58 0.00 6.12 2.20 -1.26 -1.79 114.94 119.53 2bw5 s ASN 151 Ca 0.39 0.42 0.00 0.00 -0.94 0.00 0.00 52.86 52.74 2bw5 s ASN 151 Cb 0.10 0.54 0.00 0.00 -2.00 0.00 0.00 41.25 39.89 2bw5 s ASN 151 CO 0.01 -0.71 0.00 0.61 -2.94 0.00 0.00 177.10 174.07 2bw5 n GLY 152 N 0.52 3.92 3.30 0.45 0.00 -0.07 -0.84 105.19 112.48 2bw5 n GLY 152 Ca -0.18 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 2bw5 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bw5 s ALA 153 N -1.26 -0.76 -0.03 4.61 0.00 -1.26 -1.96 121.76 121.09 2bw5 s ALA 153 Ca 0.00 -0.20 0.04 0.00 0.00 0.00 0.00 51.96 51.80 2bw5 s ALA 153 Cb 0.00 0.67 -0.00 0.00 0.00 0.00 0.00 23.12 23.78 2bw5 s ALA 153 CO 0.00 -0.63 -0.14 -1.50 0.00 0.00 0.00 175.76 173.50 2bw5 s ILE 154 N -3.82 1.14 -0.21 0.00 2.07 0.19 -2.17 121.20 118.40 2bw5 s ILE 154 Ca 0.04 -0.58 -0.06 0.00 -1.41 0.00 0.00 60.65 58.64 2bw5 s ILE 154 Cb 0.02 -0.98 -0.03 0.00 0.13 0.00 0.00 42.46 41.60 2bw5 s ILE 154 CO -0.11 0.33 0.03 -0.32 -1.91 0.00 0.00 174.94 172.96 2bw5 s MET 155 N -0.02 3.67 -0.47 3.50 -2.45 0.76 -0.58 119.30 123.69 2bw5 s MET 155 Ca -0.01 -0.49 -0.08 0.00 -1.25 0.00 0.00 55.69 53.86 2bw5 s MET 155 Cb -0.09 -3.17 0.12 0.00 1.25 0.00 0.00 34.83 32.94 2bw5 s MET 155 CO 0.01 -0.03 0.33 0.08 1.05 0.00 0.00 175.02 176.47 2bw5 s VAL 156 N 1.14 4.08 0.39 10.11 1.01 0.97 -1.00 120.40 137.10 2bw5 s VAL 156 Ca 0.03 -1.87 -0.24 0.00 0.00 0.00 0.00 61.98 59.91 2bw5 s VAL 156 Cb -0.14 -3.70 -0.10 0.00 0.00 0.00 0.00 36.38 32.44 2bw5 s VAL 156 CO 0.02 -0.77 1.00 -0.76 0.00 0.00 0.00 175.10 174.59 2bw5 s LEU 157 N 1.27 4.13 0.57 3.92 1.43 -0.12 -0.57 118.68 129.32 2bw5 s LEU 157 Ca 0.07 1.91 -0.20 0.00 -1.03 0.00 0.00 54.13 54.88 2bw5 s LEU 157 Cb -0.25 -4.24 -0.05 0.00 0.03 0.00 0.00 46.19 41.68 2bw5 s LEU 157 CO -0.01 -0.38 1.17 -2.65 0.23 0.00 0.00 176.35 174.70 2bw5 n PRO 158 N -0.09 1.26 0.26 1.29 -0.02 -1.26 -0.52 135.00 135.92 2bw5 n PRO 158 Ca 0.05 0.48 0.08 0.00 -2.02 0.00 0.00 63.50 62.09 2bw5 n PRO 158 Cb 0.51 -2.37 0.64 0.00 -0.02 0.00 0.00 33.50 32.26 2bw5 n PRO 158 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bw5 h ARG 159 N 0.93 0.00 -0.81 -0.52 3.08 -1.88 -1.17 114.38 114.02 2bw5 h ARG 159 Ca -0.49 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.29 2bw5 h ARG 159 Cb 1.34 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.23 2bw5 h ARG 159 CO 0.54 0.05 0.34 -3.47 -1.07 0.00 0.00 179.97 176.36 2bw5 n ASP 160 N -4.36 4.64 -0.57 7.04 4.64 -1.26 -0.87 116.55 125.81 2bw5 n ASP 160 Ca -0.03 -3.26 0.06 0.00 -1.38 0.00 0.00 54.79 50.18 2bw5 n ASP 160 Cb 0.13 -0.76 -0.01 0.00 -1.04 0.00 0.00 41.12 39.44 2bw5 n ASP 160 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2bw5 n GLY 161 N -0.29 -1.94 3.80 0.27 0.00 -0.44 -4.81 105.19 101.78 2bw5 n GLY 161 Ca 0.44 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 2bw5 n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bw5 s LEU 162 N 0.00 3.73 0.05 0.99 1.43 -1.26 -4.51 118.68 119.11 2bw5 s LEU 162 Ca 0.00 1.87 0.03 0.00 -1.03 0.00 0.00 54.13 55.00 2bw5 s LEU 162 Cb 0.00 -4.55 -0.03 0.00 0.03 0.00 0.00 46.19 41.65 2bw5 s LEU 162 CO 0.00 -0.88 -0.10 -0.54 0.23 0.00 0.00 176.35 175.06 2bw5 s LYS 163 N -3.54 0.64 0.71 1.70 -0.14 -1.26 -1.33 119.74 116.52 2bw5 s LYS 163 Ca 0.66 -0.83 -0.09 0.00 -1.36 0.00 0.00 55.97 54.34 2bw5 s LYS 163 Cb -0.16 -0.50 0.16 0.00 -1.68 0.00 0.00 37.83 35.65 2bw5 s LYS 163 CO 0.26 0.10 0.97 -0.40 -0.76 0.00 0.00 175.35 175.52 2bw5 n ASP 164 N 1.40 0.36 0.14 2.83 5.68 0.32 -4.77 116.55 122.51 2bw5 n ASP 164 Ca -0.22 -1.53 0.11 0.00 -0.50 0.00 0.00 54.79 52.65 2bw5 n ASP 164 Cb 0.54 -0.71 0.53 0.00 -1.14 0.00 0.00 41.12 40.34 2bw5 n ASP 164 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2bw5 n GLU 165 N -2.99 0.15 -0.03 0.11 0.00 -1.26 -1.62 120.64 115.01 2bw5 n GLU 165 Ca 0.13 0.55 0.10 0.00 0.00 0.00 0.00 57.16 57.94 2bw5 n GLU 165 Cb 0.46 -1.90 0.10 0.00 0.00 0.00 0.00 31.44 30.09 2bw5 n GLU 165 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2bw5 n LYS 166 N -2.21 1.92 -0.62 3.44 5.02 -1.26 -4.99 118.16 119.46 2bw5 n LYS 166 Ca -0.00 -1.79 0.00 0.00 -2.02 0.00 0.00 58.31 54.50 2bw5 n LYS 166 Cb 0.11 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 2bw5 n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2bw5 n GLY 167 N 1.17 0.75 3.86 0.72 0.00 -0.64 -5.06 105.19 105.99 2bw5 n GLY 167 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2bw5 n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bw5 s GLN 168 N -0.38 3.88 0.55 1.61 1.11 -1.26 -4.77 119.66 120.41 2bw5 s GLN 168 Ca 0.00 0.62 -0.20 0.00 0.01 0.00 0.00 55.36 55.78 2bw5 s GLN 168 Cb 0.00 -2.36 -0.05 0.00 -1.01 0.00 0.00 33.01 29.59 2bw5 s GLN 168 CO 0.00 -0.01 1.22 -1.25 0.01 0.00 0.00 175.29 175.26 2bw5 s PRO 169 N -3.60 3.20 -0.16 2.91 0.04 -1.26 -0.52 135.00 135.62 2bw5 s PRO 169 Ca 0.53 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2bw5 s PRO 169 Cb -0.10 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.36 2bw5 s PRO 169 CO 0.26 -1.04 -0.15 -0.51 0.04 0.00 0.00 177.00 175.61 2bw5 s LEU 170 N -3.72 1.78 -0.14 -3.56 1.43 -0.44 -4.68 118.68 109.35 2bw5 s LEU 170 Ca 0.73 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2bw5 s LEU 170 Cb -0.32 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 44.68 2bw5 s LEU 170 CO 0.36 -0.05 -0.18 -0.89 0.23 0.00 0.00 176.35 175.82 2bw5 s THR 171 N 1.45 1.79 0.30 5.49 2.01 -1.26 -3.98 115.64 121.44 2bw5 s THR 171 Ca 0.05 -0.80 -0.13 0.00 0.31 0.00 0.00 61.69 61.12 2bw5 s THR 171 Cb -0.13 -1.63 -0.08 0.00 0.01 0.00 0.00 72.50 70.67 2bw5 s THR 171 CO -0.11 0.50 0.68 -0.72 -0.69 0.00 0.00 174.62 174.28 2bw5 s TYR 172 N 1.14 3.39 -0.06 4.92 -0.85 -1.26 -4.84 117.35 119.79 2bw5 s TYR 172 Ca -0.01 1.10 0.04 0.00 -0.52 0.00 0.00 57.07 57.68 2bw5 s TYR 172 Cb -0.14 -2.44 -0.25 0.00 0.38 0.00 0.00 41.96 39.51 2bw5 s TYR 172 CO -0.07 0.14 0.62 -0.44 -1.52 0.00 0.00 175.55 174.28 2bw5 h ASP 173 N 2.28 0.20 -4.92 -0.18 3.32 -0.99 -3.48 116.42 112.65 2bw5 h ASP 173 Ca -0.48 -0.40 -0.19 0.00 0.02 0.00 0.00 57.03 55.98 2bw5 h ASP 173 Cb 1.17 -0.07 -0.21 0.00 0.22 0.00 0.00 39.33 40.45 2bw5 h ASP 173 CO 0.66 1.36 -0.71 -0.54 -1.72 0.00 0.00 179.24 178.29 2bw5 s LYS 174 N -2.59 0.35 0.00 3.56 1.02 -0.94 -5.01 119.74 116.13 2bw5 s LYS 174 Ca -0.11 -0.63 0.03 0.00 0.02 0.00 0.00 55.97 55.28 2bw5 s LYS 174 Cb 0.07 0.03 -0.01 0.00 -0.52 0.00 0.00 37.83 37.40 2bw5 s LYS 174 CO 0.81 -0.03 -0.09 -1.50 -0.92 0.00 0.00 175.35 173.62 2bw5 s ILE 175 N -1.43 0.72 0.09 2.17 2.07 -1.26 -1.26 121.20 122.30 2bw5 s ILE 175 Ca -0.15 -0.51 0.06 0.00 -1.41 0.00 0.00 60.65 58.65 2bw5 s ILE 175 Cb -0.10 -0.63 -0.03 0.00 0.13 0.00 0.00 42.46 41.83 2bw5 s ILE 175 CO -0.01 0.12 -0.17 -0.31 -1.91 0.00 0.00 174.94 172.66 2bw5 s TYR 176 N -0.39 1.47 -0.27 3.50 2.02 -0.44 -4.51 117.35 118.72 2bw5 s TYR 176 Ca 0.02 -0.46 0.01 0.00 -0.37 0.00 0.00 57.07 56.26 2bw5 s TYR 176 Cb -0.04 -0.80 0.05 0.00 -0.40 0.00 0.00 41.96 40.76 2bw5 s TYR 176 CO -0.00 0.13 -0.07 -0.47 -1.57 0.00 0.00 175.55 173.57 2bw5 s TYR 177 N -1.41 3.21 -0.40 2.71 5.04 -0.07 -0.81 117.35 125.60 2bw5 s TYR 177 Ca 0.03 -2.01 -0.16 0.00 -2.44 0.00 0.00 57.07 52.50 2bw5 s TYR 177 Cb -0.09 -2.01 0.02 0.00 0.35 0.00 0.00 41.96 40.23 2bw5 s TYR 177 CO 0.03 -0.83 0.34 0.08 -1.34 0.00 0.00 175.55 173.83 2bw5 s VAL 178 N 1.20 5.21 -0.18 3.14 1.01 0.28 -4.23 120.40 126.83 2bw5 s VAL 178 Ca -0.06 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 2bw5 s VAL 178 Cb -0.19 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2bw5 s VAL 178 CO -0.04 -0.31 0.37 -0.83 0.00 0.00 0.00 175.10 174.29 2bw5 s GLY 179 N 1.72 2.17 -0.20 4.51 0.00 -1.26 -1.78 107.32 112.47 2bw5 s GLY 179 Ca 0.07 -0.46 -0.07 0.00 0.00 0.00 0.00 44.72 44.27 2bw5 s GLY 179 CO 0.11 0.68 0.04 1.85 0.00 0.00 0.00 173.10 175.78 2bw5 s GLU 180 N 0.94 3.78 -0.17 2.90 2.12 -0.63 -1.89 118.70 125.75 2bw5 s GLU 180 Ca 0.19 -0.44 0.01 0.00 0.36 0.00 0.00 54.97 55.10 2bw5 s GLU 180 Cb -0.14 -3.19 0.02 0.00 0.26 0.00 0.00 34.13 31.07 2bw5 s GLU 180 CO 0.07 0.08 -0.20 -1.14 -0.54 0.00 0.00 175.26 173.53 2bw5 s GLN 181 N 0.87 2.95 -0.21 4.30 2.00 0.13 -4.50 119.66 125.21 2bw5 s GLN 181 Ca 0.03 -0.82 -0.23 0.00 -2.00 0.00 0.00 55.36 52.33 2bw5 s GLN 181 Cb -0.14 -2.50 -0.01 0.00 0.80 0.00 0.00 33.01 31.16 2bw5 s GLN 181 CO 0.02 -0.15 0.76 0.16 -0.50 0.00 0.00 175.29 175.58 2bw5 s ASP 182 N 1.16 6.80 0.14 6.67 -4.77 -1.26 -1.18 116.67 124.22 2bw5 s ASP 182 Ca 0.01 0.99 0.05 0.00 -3.30 0.00 0.00 52.55 50.31 2bw5 s ASP 182 Cb -0.14 -2.41 -0.04 0.00 -1.09 0.00 0.00 42.92 39.24 2bw5 s ASP 182 CO -0.10 -0.41 0.04 -0.36 0.70 0.00 0.00 175.17 175.05 2bw5 s PHE 183 N 2.39 3.01 -0.52 2.11 0.08 -0.28 -4.73 117.98 120.04 2bw5 s PHE 183 Ca 0.33 -0.05 0.06 0.00 0.12 0.00 0.00 56.93 57.40 2bw5 s PHE 183 Cb -0.16 -1.49 0.23 0.00 -0.57 0.00 0.00 43.02 41.04 2bw5 s PHE 183 CO 0.10 0.51 0.59 0.66 -0.10 0.00 0.00 175.22 176.97 2bw5 n TYR 184 N 0.09 1.54 -2.47 0.36 4.02 -1.26 -1.01 117.16 118.42 2bw5 n TYR 184 Ca -0.10 -3.85 -0.43 0.00 -0.01 0.00 0.00 57.90 53.52 2bw5 n TYR 184 Cb 0.54 -0.39 -0.02 0.00 -0.02 0.00 0.00 39.34 39.44 2bw5 n TYR 184 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2bw5 s VAL 185 N -1.59 4.31 0.41 -0.72 1.01 -1.26 -4.69 120.40 117.87 2bw5 s VAL 185 Ca 0.36 1.61 -0.27 0.00 0.00 0.00 0.00 61.98 63.68 2bw5 s VAL 185 Cb 0.13 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 2bw5 s VAL 185 CO -0.09 -0.06 1.45 -2.84 0.00 0.00 0.00 175.10 173.56 2bw5 s PRO 186 N 2.76 3.91 0.03 2.72 0.02 -1.26 -4.88 135.00 138.30 2bw5 s PRO 186 Ca 0.54 2.48 0.09 0.00 0.02 0.00 0.00 61.00 64.13 2bw5 s PRO 186 Cb -0.23 -2.81 -0.03 0.00 0.02 0.00 0.00 34.50 31.45 2bw5 s PRO 186 CO 0.18 -0.66 -0.26 0.15 -0.33 0.00 0.00 177.00 176.08 2bw5 s LYS 187 N -2.26 1.88 1.08 5.54 1.02 -1.26 -0.79 119.74 124.94 2bw5 s LYS 187 Ca 0.57 -1.07 -0.18 0.00 0.02 0.00 0.00 55.97 55.31 2bw5 s LYS 187 Cb -0.45 -2.00 0.25 0.00 -0.52 0.00 0.00 37.83 35.11 2bw5 s LYS 187 CO 0.59 0.52 1.26 0.16 -0.92 0.00 0.00 175.35 176.96 2bw5 s ASP 188 N -1.11 2.07 0.46 2.83 1.47 -0.17 -4.88 116.67 117.34 2bw5 s ASP 188 Ca 0.11 0.32 0.22 0.00 1.18 0.00 0.00 52.55 54.39 2bw5 s ASP 188 Cb -0.10 -0.37 1.11 0.00 -0.34 0.00 0.00 42.92 43.22 2bw5 s ASP 188 CO 0.01 -3.39 1.94 -0.08 0.68 0.00 0.00 175.17 174.34 2bw5 h GLU 189 N -2.09 0.00 0.00 2.11 4.81 -2.01 -0.91 114.58 116.49 2bw5 h GLU 189 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2bw5 h GLU 189 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2bw5 h GLU 189 CO 0.33 0.22 0.00 0.00 -0.73 0.00 0.00 179.01 178.82 2bw5 n ALA 190 N -2.32 2.09 -0.14 2.92 0.00 -1.26 -4.93 120.51 116.87 2bw5 n ALA 190 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2bw5 n ALA 190 Cb 0.33 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2bw5 n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bw5 n GLY 191 N 0.94 0.73 3.85 0.00 0.00 -0.35 -5.09 105.19 105.28 2bw5 n GLY 191 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2bw5 n GLY 191 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bw5 s ASN 192 N -2.56 6.75 0.34 1.61 0.02 -1.26 -4.77 114.94 115.06 2bw5 s ASN 192 Ca 0.00 1.08 -0.28 0.00 -1.02 0.00 0.00 52.86 52.64 2bw5 s ASN 192 Cb 0.00 -2.29 -0.10 0.00 0.02 0.00 0.00 41.25 38.88 2bw5 s ASN 192 CO 0.00 -0.04 1.27 -0.31 0.02 0.00 0.00 177.10 178.04 2bw5 s TYR 193 N -1.72 3.11 0.21 2.20 2.02 -1.26 -1.00 117.35 120.91 2bw5 s TYR 193 Ca 0.46 1.47 -0.09 0.00 -0.37 0.00 0.00 57.07 58.53 2bw5 s TYR 193 Cb -0.13 -3.60 -0.07 0.00 -0.40 0.00 0.00 41.96 37.76 2bw5 s TYR 193 CO 0.20 -1.65 0.52 0.15 -1.57 0.00 0.00 175.55 173.20 2bw5 s LYS 194 N -1.82 3.78 0.37 -0.62 1.02 0.03 -4.85 119.74 117.65 2bw5 s LYS 194 Ca 0.49 0.23 0.08 0.00 0.02 0.00 0.00 55.97 56.79 2bw5 s LYS 194 Cb -0.38 -2.70 -0.05 0.00 -0.52 0.00 0.00 37.83 34.19 2bw5 s LYS 194 CO 0.50 0.35 0.15 0.15 -0.92 0.00 0.00 175.35 175.58 2bw5 s LYS 195 N -2.74 2.27 0.07 1.68 1.02 -1.26 -4.67 119.74 116.11 2bw5 s LYS 195 Ca 0.46 -1.70 0.01 0.00 0.02 0.00 0.00 55.97 54.75 2bw5 s LYS 195 Cb -0.12 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 35.09 2bw5 s LYS 195 CO 0.21 0.01 -0.06 0.71 -0.92 0.00 0.00 175.35 175.31 2bw5 s TYR 196 N -2.51 0.70 -0.08 3.18 1.51 -1.26 -5.07 117.35 113.81 2bw5 s TYR 196 Ca 0.39 -0.84 0.13 0.00 -1.01 0.00 0.00 57.07 55.75 2bw5 s TYR 196 Cb 0.00 -0.43 -0.24 0.00 -0.11 0.00 0.00 41.96 41.19 2bw5 s TYR 196 CO 0.22 -0.20 0.50 0.39 -1.11 0.00 0.00 175.55 175.36 2bw5 n GLU 197 N 0.44 0.65 -4.16 -0.62 1.02 -1.26 -4.95 120.64 111.77 2bw5 n GLU 197 Ca -0.16 0.22 -0.10 0.00 -0.02 0.00 0.00 57.16 57.10 2bw5 n GLU 197 Cb 0.59 -1.72 -0.10 0.00 -0.02 0.00 0.00 31.44 30.19 2bw5 n GLU 197 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2bw5 s THR 198 N -2.57 0.28 0.29 2.62 -4.23 -1.26 -5.04 115.64 105.73 2bw5 s THR 198 Ca -0.07 -1.91 -0.02 0.00 -1.18 0.00 0.00 61.69 58.52 2bw5 s THR 198 Cb 0.07 -1.93 0.23 0.00 1.34 0.00 0.00 72.50 72.22 2bw5 s THR 198 CO 0.82 -0.60 1.92 -0.65 -0.54 0.00 0.00 174.62 175.57 2bw5 h PRO 199 N 2.90 1.04 -0.59 3.99 0.11 -1.98 -2.03 132.00 135.42 2bw5 h PRO 199 Ca -0.35 -0.10 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 2bw5 h PRO 199 Cb 1.19 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 2bw5 h PRO 199 CO 0.62 0.74 0.16 0.78 -0.21 0.00 0.00 178.00 180.09 2bw5 h GLY 200 N 1.08 1.01 2.00 -0.55 0.00 -2.00 -0.25 103.07 104.36 2bw5 h GLY 200 Ca 0.27 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 2bw5 h GLY 200 CO -0.05 0.58 -0.25 0.83 0.00 0.00 0.00 176.54 177.65 2bw5 h GLU 201 N 0.85 0.00 0.00 4.80 5.08 -1.91 -3.04 114.58 120.36 2bw5 h GLU 201 Ca 0.19 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.40 2bw5 h GLU 201 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2bw5 h GLU 201 CO -0.00 0.25 -0.72 0.00 -1.00 0.00 0.00 179.01 177.54 2bw5 h ALA 202 N 1.75 0.61 -0.16 3.43 0.00 -0.90 -3.42 119.26 120.58 2bw5 h ALA 202 Ca -0.00 -0.66 0.03 0.00 0.00 0.00 0.00 54.91 54.28 2bw5 h ALA 202 Cb 0.47 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2bw5 h ALA 202 CO 0.03 0.90 -0.00 -0.92 0.00 0.00 0.00 179.25 179.26 2bw5 h TYR 203 N 0.00 -0.01 -0.84 0.00 3.20 -0.93 0.61 116.97 119.00 2bw5 h TYR 203 Ca -0.01 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2bw5 h TYR 203 Cb 1.46 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.72 2bw5 h TYR 203 CO 0.00 -0.02 0.43 0.93 -1.64 0.00 0.00 178.16 177.85 2bw5 h GLU 204 N 0.05 1.19 -1.00 1.82 4.39 -1.80 -0.24 114.58 118.99 2bw5 h GLU 204 Ca 0.07 -0.16 0.04 0.00 0.34 0.00 0.00 59.36 59.65 2bw5 h GLU 204 Cb 0.09 -0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 28.46 2bw5 h GLU 204 CO -0.12 0.89 0.65 -0.44 -1.16 0.00 0.00 179.01 178.83 2bw5 h ASP 205 N 1.18 1.08 -0.15 1.42 5.19 -1.67 0.53 116.42 124.01 2bw5 h ASP 205 Ca 0.29 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.61 2bw5 h ASP 205 Cb 0.08 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.34 2bw5 h ASP 205 CO -0.04 0.74 -0.23 0.00 -3.12 0.00 0.00 179.24 176.59 2bw5 h ALA 206 N 1.42 0.23 -0.54 3.45 0.00 -0.05 -1.97 119.26 121.79 2bw5 h ALA 206 Ca 0.40 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2bw5 h ALA 206 Cb 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2bw5 h ALA 206 CO -0.13 0.19 0.36 0.28 0.00 0.00 0.00 179.25 179.95 2bw5 h VAL 207 N 0.03 1.14 -0.39 0.00 2.07 -0.68 0.07 116.25 118.49 2bw5 h VAL 207 Ca 0.01 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.28 2bw5 h VAL 207 Cb 0.80 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2bw5 h VAL 207 CO 0.05 0.14 0.22 0.50 0.02 0.00 0.00 177.57 178.50 2bw5 h LYS 208 N 0.74 0.43 -0.41 1.57 3.64 -0.91 -0.73 116.57 120.89 2bw5 h LYS 208 Ca 0.20 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2bw5 h LYS 208 Cb -0.07 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2bw5 h LYS 208 CO -0.04 0.28 0.21 0.00 -2.27 0.00 0.00 179.45 177.63 2bw5 h ALA 209 N 1.18 0.53 -0.83 5.00 0.00 -1.02 -2.71 119.26 121.41 2bw5 h ALA 209 Ca 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2bw5 h ALA 209 Cb 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2bw5 h ALA 209 CO -0.09 0.08 0.50 0.52 0.00 0.00 0.00 179.25 180.26 2bw5 h MET 210 N 0.53 1.13 0.00 0.00 2.86 -0.73 -2.69 114.93 116.03 2bw5 h MET 210 Ca 0.14 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2bw5 h MET 210 Cb 0.09 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.51 2bw5 h MET 210 CO -0.02 0.80 0.00 0.00 1.06 0.00 0.00 176.91 178.75 2bw5 h ARG 211 N 1.14 0.00 0.00 1.72 3.08 -0.81 0.64 114.38 120.16 2bw5 h ARG 211 Ca 0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.35 2bw5 h ARG 211 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2bw5 h ARG 211 CO -0.06 0.00 0.00 1.79 -1.07 0.00 0.00 179.97 180.63 2bw5 h THR 212 N 0.00 0.00 0.00 2.04 1.35 -1.36 -3.46 112.91 111.48 2bw5 h THR 212 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 2bw5 h THR 212 Cb 0.25 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2bw5 h THR 212 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 2bw5 n LEU 213 N -2.83 0.82 -4.28 3.87 4.77 0.22 -4.97 117.00 114.60 2bw5 n LEU 213 Ca 0.01 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.61 2bw5 n LEU 213 Cb 0.25 -2.00 -0.12 0.00 -2.33 0.00 0.00 43.42 39.22 2bw5 n LEU 213 CO 0.24 -0.76 -0.25 -0.89 -1.33 0.00 0.00 177.39 174.40 2bw5 s THR 214 N -1.24 3.82 0.51 -5.08 2.01 -1.26 -5.08 115.64 109.32 2bw5 s THR 214 Ca 0.00 -1.12 -0.22 0.00 0.31 0.00 0.00 61.69 60.67 2bw5 s THR 214 Cb 0.00 -3.16 -0.06 0.00 0.01 0.00 0.00 72.50 69.29 2bw5 s THR 214 CO 0.00 -0.18 1.25 -2.84 -0.69 0.00 0.00 174.62 172.16 2bw5 s PRO 215 N 1.41 3.41 0.10 4.92 0.02 -1.26 -4.89 135.00 138.71 2bw5 s PRO 215 Ca -0.02 1.97 0.13 0.00 0.02 0.00 0.00 61.00 63.10 2bw5 s PRO 215 Cb -0.19 -2.29 -0.13 0.00 0.02 0.00 0.00 34.50 31.90 2bw5 s PRO 215 CO 0.03 -0.89 1.03 1.79 -0.33 0.00 0.00 177.00 178.63 2bw5 h THR 216 N 1.58 0.95 -3.43 0.99 1.35 -1.42 -3.47 112.91 109.46 2bw5 h THR 216 Ca -0.50 -2.55 -0.16 0.00 -0.55 0.00 0.00 66.41 62.64 2bw5 h THR 216 Cb 1.27 2.40 -0.23 0.00 -1.73 0.00 0.00 68.15 69.86 2bw5 h THR 216 CO 0.58 0.54 -0.51 -1.00 -0.25 0.00 0.00 175.52 174.89 2bw5 s HIS 217 N -2.80 -0.07 -0.14 4.73 3.76 -1.19 -4.91 115.29 114.68 2bw5 s HIS 217 Ca -0.01 0.15 -0.04 0.00 -0.15 0.00 0.00 55.06 55.01 2bw5 s HIS 217 Cb 0.09 0.00 0.05 0.00 1.11 0.00 0.00 32.58 33.83 2bw5 s HIS 217 CO 0.80 -0.19 0.07 0.42 -0.85 0.00 0.00 174.74 174.99 2bw5 s ILE 218 N -0.68 -0.01 0.15 0.60 1.01 -0.55 -1.13 121.20 120.60 2bw5 s ILE 218 Ca -0.08 -0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.58 2bw5 s ILE 218 Cb -0.05 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.87 2bw5 s ILE 218 CO 0.01 -0.14 -0.12 0.68 0.00 0.00 0.00 174.94 175.37 2bw5 s VAL 219 N 2.11 1.32 -0.14 2.92 -7.23 -0.33 -0.69 120.40 118.36 2bw5 s VAL 219 Ca 0.03 -1.94 -0.06 0.00 -1.81 0.00 0.00 61.98 58.20 2bw5 s VAL 219 Cb -0.15 -1.74 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 2bw5 s VAL 219 CO -0.07 -0.59 0.09 -0.36 -0.31 0.00 0.00 175.10 173.86 2bw5 s PHE 220 N -2.78 3.39 -1.48 2.82 0.08 -1.26 -0.69 117.98 118.06 2bw5 s PHE 220 Ca 0.14 0.32 -0.01 0.00 0.12 0.00 0.00 56.93 57.50 2bw5 s PHE 220 Cb -0.01 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 2bw5 s PHE 220 CO 0.03 0.49 0.10 -1.71 -0.10 0.00 0.00 175.22 174.02 2bw5 n ASN 221 N 2.56 -5.15 0.00 1.36 5.15 -0.79 -3.32 115.26 115.07 2bw5 n ASN 221 Ca -0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 2bw5 n ASN 221 Cb 0.54 -4.29 0.00 0.00 -0.53 0.00 0.00 39.78 35.50 2bw5 n ASN 221 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bw5 n GLY 222 N -1.02 0.91 3.50 8.20 0.00 -0.86 -4.77 105.19 111.14 2bw5 n GLY 222 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 2bw5 n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bw5 s ALA 223 N -2.33 -1.75 0.10 4.61 0.00 -1.21 -4.69 121.76 116.49 2bw5 s ALA 223 Ca 0.00 1.08 -0.36 0.00 0.00 0.00 0.00 51.96 52.68 2bw5 s ALA 223 Cb 0.00 0.21 -0.15 0.00 0.00 0.00 0.00 23.12 23.17 2bw5 s ALA 223 CO 0.00 -0.52 1.46 0.28 0.00 0.00 0.00 175.76 176.98 2bw5 n VAL 224 N 0.35 0.03 -0.98 0.00 0.31 -0.25 -2.11 118.33 115.68 2bw5 n VAL 224 Ca -0.16 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2bw5 n VAL 224 Cb 0.60 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 2bw5 n VAL 224 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bw5 n GLY 225 N 2.98 0.78 0.31 2.92 0.00 -1.26 -4.84 105.19 106.07 2bw5 n GLY 225 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 2bw5 n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bw5 h ALA 226 N 0.00 1.75 -1.06 4.61 0.00 -1.63 -2.71 119.26 120.22 2bw5 h ALA 226 Ca 0.00 -0.03 -0.73 0.00 0.00 0.00 0.00 54.91 54.16 2bw5 h ALA 226 Cb 0.02 -0.15 -0.30 0.00 0.00 0.00 0.00 17.79 17.36 2bw5 h ALA 226 CO 0.00 0.22 0.75 1.28 0.00 0.00 0.00 179.25 181.51 2bw5 n LEU 227 N -4.48 7.12 -4.17 0.00 4.77 -1.26 -4.68 117.00 114.31 2bw5 n LEU 227 Ca 0.03 -4.80 -0.11 0.00 -0.03 0.00 0.00 56.01 51.09 2bw5 n LEU 227 Cb 0.08 -0.96 -0.10 0.00 -2.33 0.00 0.00 43.42 40.12 2bw5 n LEU 227 CO 0.35 1.79 -0.21 0.42 -1.33 0.00 0.00 177.39 178.41 2bw5 s THR 228 N -5.09 0.02 0.00 -5.08 -4.23 -1.02 -0.78 115.64 99.46 2bw5 s THR 228 Ca 0.53 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 2bw5 s THR 228 Cb 0.44 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.90 2bw5 s THR 228 CO -0.31 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 2bw5 n GLY 229 N -0.25 3.15 0.13 3.99 0.00 -1.26 -1.46 105.19 109.48 2bw5 n GLY 229 Ca 0.00 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.95 2bw5 n GLY 229 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bw5 n ASP 230 N 5.48 0.55 -0.86 1.61 8.00 -1.26 -1.88 116.55 128.19 2bw5 n ASP 230 Ca 0.00 0.69 0.08 0.00 0.71 0.00 0.00 54.79 56.27 2bw5 n ASP 230 Cb 0.00 -0.78 0.24 0.00 -0.02 0.00 0.00 41.12 40.56 2bw5 n ASP 230 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2bw5 n HIS 231 N -2.16 0.86 -1.71 1.24 8.25 -0.54 -5.02 115.22 116.15 2bw5 n HIS 231 Ca 0.01 -0.79 -0.40 0.00 -0.26 0.00 0.00 57.72 56.28 2bw5 n HIS 231 Cb 0.13 -0.25 0.03 0.00 1.12 0.00 0.00 29.99 31.02 2bw5 n HIS 231 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2bw5 n ALA 232 N -0.24 1.26 -1.46 -1.41 0.00 -0.79 -3.73 120.51 114.14 2bw5 n ALA 232 Ca 0.19 0.18 -0.34 0.00 0.00 0.00 0.00 53.44 53.47 2bw5 n ALA 232 Cb 0.79 -2.28 0.07 0.00 0.00 0.00 0.00 19.45 18.04 2bw5 n ALA 232 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bw5 s LEU 233 N -2.34 3.39 0.11 0.00 1.43 -0.22 -4.84 118.68 116.21 2bw5 s LEU 233 Ca 0.67 2.27 0.04 0.00 -1.03 0.00 0.00 54.13 56.08 2bw5 s LEU 233 Cb -0.46 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.14 2bw5 s LEU 233 CO 0.54 -1.99 -0.11 0.42 0.23 0.00 0.00 176.35 175.43 2bw5 s THR 234 N -2.00 1.07 0.26 5.49 -4.23 -1.26 -0.64 115.64 114.34 2bw5 s THR 234 Ca 0.73 -1.70 -0.21 0.00 -1.18 0.00 0.00 61.69 59.33 2bw5 s THR 234 Cb -0.27 -1.45 0.03 0.00 1.34 0.00 0.00 72.50 72.15 2bw5 s THR 234 CO 0.42 -0.53 0.77 0.00 -0.54 0.00 0.00 174.62 174.73 2bw5 s ALA 235 N -2.43 -1.27 0.15 3.99 0.00 -1.01 -4.94 121.76 116.26 2bw5 s ALA 235 Ca 0.07 -0.26 0.11 0.00 0.00 0.00 0.00 51.96 51.88 2bw5 s ALA 235 Cb -0.03 0.81 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 2bw5 s ALA 235 CO 0.01 -1.04 -0.25 0.00 0.00 0.00 0.00 175.76 174.49 2bw5 s ALA 236 N -3.72 2.48 0.21 0.00 0.00 -1.26 -1.40 121.76 118.07 2bw5 s ALA 236 Ca 0.12 -1.53 -0.32 0.00 0.00 0.00 0.00 51.96 50.23 2bw5 s ALA 236 Cb -0.05 -0.40 -0.14 0.00 0.00 0.00 0.00 23.12 22.53 2bw5 s ALA 236 CO 0.06 0.50 1.42 0.28 0.00 0.00 0.00 175.76 178.02 2bw5 n VAL 237 N 0.63 0.67 -0.14 0.00 0.31 0.34 -1.34 118.33 118.80 2bw5 n VAL 237 Ca -0.15 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 2bw5 n VAL 237 Cb 0.54 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 2bw5 n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bw5 n GLY 238 N 2.46 1.57 3.76 2.92 0.00 0.68 -5.00 105.19 111.58 2bw5 n GLY 238 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2bw5 n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bw5 s GLU 239 N -0.40 4.67 -0.25 1.61 2.12 -0.45 -4.77 118.70 121.23 2bw5 s GLU 239 Ca 0.00 1.68 -0.15 0.00 0.36 0.00 0.00 54.97 56.86 2bw5 s GLU 239 Cb 0.00 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 2bw5 s GLU 239 CO 0.00 0.28 0.37 1.03 -0.54 0.00 0.00 175.26 176.40 2bw5 s ARG 240 N -1.47 4.06 -0.07 4.30 0.52 -1.26 -1.76 118.95 123.27 2bw5 s ARG 240 Ca 0.45 0.07 0.04 0.00 -0.52 0.00 0.00 55.73 55.76 2bw5 s ARG 240 Cb -0.29 -3.62 0.00 0.00 0.52 0.00 0.00 34.95 31.56 2bw5 s ARG 240 CO 0.37 -0.21 -0.19 0.08 0.02 0.00 0.00 175.30 175.37 2bw5 s VAL 241 N 1.86 1.62 -0.21 3.52 1.01 0.14 -0.22 120.40 128.12 2bw5 s VAL 241 Ca 0.16 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 2bw5 s VAL 241 Cb -0.15 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2bw5 s VAL 241 CO 0.09 0.46 0.09 -0.22 0.00 0.00 0.00 175.10 175.52 2bw5 s LEU 242 N 0.26 3.82 -0.31 3.92 2.96 -0.39 -1.19 118.68 127.75 2bw5 s LEU 242 Ca -0.11 0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.79 2bw5 s LEU 242 Cb -0.15 -1.99 0.03 0.00 0.50 0.00 0.00 46.19 44.58 2bw5 s LEU 242 CO 0.05 0.11 0.06 -0.69 -1.32 0.00 0.00 176.35 174.55 2bw5 s VAL 243 N 0.78 3.55 0.02 1.68 1.01 0.24 -1.33 120.40 126.36 2bw5 s VAL 243 Ca 0.05 -1.08 -0.22 0.00 0.00 0.00 0.00 61.98 60.73 2bw5 s VAL 243 Cb -0.13 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 2bw5 s VAL 243 CO 0.02 -0.06 0.66 -0.69 0.00 0.00 0.00 175.10 175.03 2bw5 s VAL 244 N 1.38 4.83 -0.04 2.92 1.01 0.01 -1.59 120.40 128.92 2bw5 s VAL 244 Ca -0.01 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.37 2bw5 s VAL 244 Cb -0.19 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.21 2bw5 s VAL 244 CO 0.01 0.40 -0.00 -2.28 0.00 0.00 0.00 175.10 173.23 2bw5 s HIS 245 N -0.17 0.43 0.19 5.22 5.04 -0.22 -0.56 115.29 125.22 2bw5 s HIS 245 Ca 0.34 -0.04 0.10 0.00 -1.54 0.00 0.00 55.06 53.92 2bw5 s HIS 245 Cb -0.19 -0.53 -0.04 0.00 0.04 0.00 0.00 32.58 31.86 2bw5 s HIS 245 CO 0.20 -0.18 -0.21 -1.54 -2.34 0.00 0.00 174.74 170.66 2bw5 s SER 246 N 1.26 3.16 -0.25 9.88 1.04 -0.74 -0.74 113.70 127.31 2bw5 s SER 246 Ca -0.06 -0.88 -0.02 0.00 0.48 0.00 0.00 55.95 55.47 2bw5 s SER 246 Cb -0.13 -0.22 0.13 0.00 0.10 0.00 0.00 66.02 65.90 2bw5 s SER 246 CO -0.02 0.05 0.35 -1.58 0.98 0.00 0.00 173.24 173.03 2bw5 s GLN 247 N -2.81 0.34 0.08 4.02 -0.44 -0.83 -1.61 119.66 118.41 2bw5 s GLN 247 Ca 0.20 0.37 0.26 0.00 -2.50 0.00 0.00 55.36 53.69 2bw5 s GLN 247 Cb -0.07 -0.57 1.03 0.00 -1.64 0.00 0.00 33.01 31.77 2bw5 s GLN 247 CO 0.09 -0.74 1.82 0.00 0.50 0.00 0.00 175.29 176.96 2bw5 n ALA 248 N 5.35 2.21 0.00 1.58 0.00 -1.26 -0.19 120.51 128.21 2bw5 n ALA 248 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2bw5 n ALA 248 Cb 0.50 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2bw5 n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2bw5 n ASN 249 N -1.79 0.46 -4.00 0.00 5.15 -1.26 -3.05 115.26 110.76 2bw5 n ASN 249 Ca 0.06 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.94 2bw5 n ASN 249 Cb 0.35 0.08 -0.11 0.00 -0.53 0.00 0.00 39.78 39.57 2bw5 n ASN 249 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2bw5 s ARG 250 N -0.35 0.36 0.67 1.20 0.52 -1.26 -4.73 118.95 115.36 2bw5 s ARG 250 Ca 0.00 -0.68 -0.17 0.00 -0.52 0.00 0.00 55.73 54.36 2bw5 s ARG 250 Cb 0.00 0.06 0.00 0.00 0.52 0.00 0.00 34.95 35.53 2bw5 s ARG 250 CO 0.00 -0.04 1.27 -0.51 0.02 0.00 0.00 175.30 176.04 2bw5 s ASP 251 N -1.58 4.48 0.13 0.23 1.01 -1.26 -3.12 116.67 116.57 2bw5 s ASP 251 Ca -0.13 2.54 -0.01 0.00 0.71 0.00 0.00 52.55 55.66 2bw5 s ASP 251 Cb -0.09 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.19 2bw5 s ASP 251 CO -0.01 -2.08 0.05 0.28 0.21 0.00 0.00 175.17 173.61 2bw5 s THR 252 N -1.57 0.18 -0.43 -1.27 -1.32 -0.34 -4.81 115.64 106.09 2bw5 s THR 252 Ca 0.80 -1.92 0.05 0.00 -1.21 0.00 0.00 61.69 59.41 2bw5 s THR 252 Cb -0.35 -2.03 0.19 0.00 -1.51 0.00 0.00 72.50 68.79 2bw5 s THR 252 CO 0.41 -0.49 0.39 -2.11 -2.21 0.00 0.00 174.62 170.61 2bw5 n ARG 253 N -0.11 0.41 -2.13 7.08 1.85 -1.26 -1.38 116.66 121.13 2bw5 n ARG 253 Ca -0.06 -3.28 -0.35 0.00 -1.00 0.00 0.00 57.85 53.16 2bw5 n ARG 253 Cb 0.64 -1.62 0.02 0.00 -1.05 0.00 0.00 32.46 30.44 2bw5 n ARG 253 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 2bw5 s PRO 254 N -0.31 3.17 -0.21 2.89 0.02 -1.14 -0.73 135.00 138.70 2bw5 s PRO 254 Ca 0.33 1.66 -0.13 0.00 0.02 0.00 0.00 61.00 62.89 2bw5 s PRO 254 Cb 0.06 -1.97 0.06 0.00 0.02 0.00 0.00 34.50 32.67 2bw5 s PRO 254 CO -0.18 -1.01 0.51 -1.58 -0.33 0.00 0.00 177.00 174.41 2bw5 s HIS 255 N -1.77 -0.72 -0.45 6.54 2.46 -0.24 -2.95 115.29 118.16 2bw5 s HIS 255 Ca 0.74 1.54 -0.18 0.00 0.47 0.00 0.00 55.06 57.63 2bw5 s HIS 255 Cb -0.26 0.35 0.04 0.00 -0.13 0.00 0.00 32.58 32.58 2bw5 s HIS 255 CO 0.30 -0.38 0.49 -1.17 -2.47 0.00 0.00 174.74 171.51 2bw5 s LEU 256 N 1.24 4.96 -0.24 8.88 2.96 -1.26 -1.11 118.68 134.11 2bw5 s LEU 256 Ca -0.08 -0.79 -0.29 0.00 -0.22 0.00 0.00 54.13 52.76 2bw5 s LEU 256 Cb -0.06 -2.40 -0.01 0.00 0.50 0.00 0.00 46.19 44.22 2bw5 s LEU 256 CO -0.12 -0.67 1.38 -0.63 -1.32 0.00 0.00 176.35 174.99 2bw5 s ILE 257 N 2.23 4.05 0.00 6.68 1.01 0.13 -1.20 121.20 134.09 2bw5 s ILE 257 Ca 0.12 1.21 0.00 0.00 0.00 0.00 0.00 60.65 61.99 2bw5 s ILE 257 Cb -0.18 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.31 2bw5 s ILE 257 CO 0.13 -0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.35 2bw5 n GLY 258 N 4.21 0.56 0.00 6.18 0.00 -1.26 -3.72 105.19 111.15 2bw5 n GLY 258 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2bw5 n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bw5 n GLY 259 N -2.00 5.59 3.54 -0.02 0.00 -0.34 -5.02 105.19 106.94 2bw5 n GLY 259 Ca 0.00 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 2bw5 n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bw5 s HIS 260 N 0.34 0.49 -0.51 1.61 0.09 -1.26 -4.72 115.29 111.33 2bw5 s HIS 260 Ca 0.00 -0.83 -0.18 0.00 -0.00 0.00 0.00 55.06 54.05 2bw5 s HIS 260 Cb 0.00 0.09 0.07 0.00 -0.00 0.00 0.00 32.58 32.74 2bw5 s HIS 260 CO 0.00 -0.96 0.56 0.20 -0.00 0.00 0.00 174.74 174.54 2bw5 s GLY 261 N -3.05 1.88 0.22 -2.22 0.00 -0.15 -4.74 107.32 99.26 2bw5 s GLY 261 Ca 0.25 -1.99 -0.07 0.00 0.00 0.00 0.00 44.72 42.91 2bw5 s GLY 261 CO 0.10 1.34 1.80 -0.55 0.00 0.00 0.00 173.10 175.80 2bw5 h ASP 262 N 8.95 1.11 -3.32 1.64 3.32 -1.28 0.27 116.42 127.10 2bw5 h ASP 262 Ca -0.28 -0.15 -0.40 0.00 0.02 0.00 0.00 57.03 56.21 2bw5 h ASP 262 Cb 1.10 -0.29 -0.37 0.00 0.22 0.00 0.00 39.33 39.99 2bw5 h ASP 262 CO 0.97 0.95 -0.76 -0.31 -1.72 0.00 0.00 179.24 178.37 2bw5 s TYR 263 N -5.62 0.47 -0.06 4.55 2.02 -0.93 -1.79 117.35 115.98 2bw5 s TYR 263 Ca -0.12 -0.04 0.02 0.00 -0.37 0.00 0.00 57.07 56.55 2bw5 s TYR 263 Cb 0.16 -0.65 0.02 0.00 -0.40 0.00 0.00 41.96 41.08 2bw5 s TYR 263 CO 0.84 -0.25 -0.10 0.08 -1.57 0.00 0.00 175.55 174.54 2bw5 s VAL 264 N 1.80 0.96 -0.89 0.71 1.01 0.40 -0.54 120.40 123.85 2bw5 s VAL 264 Ca 0.02 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 2bw5 s VAL 264 Cb -0.13 -0.90 0.23 0.00 0.00 0.00 0.00 36.38 35.58 2bw5 s VAL 264 CO -0.04 0.32 0.83 0.26 0.00 0.00 0.00 175.10 176.47 2bw5 s TRP 265 N 0.77 3.87 0.28 5.22 0.51 0.07 -0.60 118.94 129.07 2bw5 s TRP 265 Ca -0.13 -2.28 -0.02 0.00 -2.12 0.00 0.00 56.10 51.55 2bw5 s TRP 265 Cb -0.15 -3.75 0.41 0.00 -0.81 0.00 0.00 33.47 29.17 2bw5 s TRP 265 CO 0.02 -0.96 1.86 0.00 -0.51 0.00 0.00 176.95 177.37 2bw5 h ALA 266 N 7.35 1.26 -0.68 0.98 0.00 -1.89 -0.93 119.26 125.35 2bw5 h ALA 266 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2bw5 h ALA 266 Cb 0.98 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2bw5 h ALA 266 CO 0.82 0.54 0.00 0.25 0.00 0.00 0.00 179.25 180.86 2bw5 n THR 267 N -4.31 1.06 -0.78 0.00 -2.24 -1.26 -4.10 114.28 102.65 2bw5 n THR 267 Ca 0.05 -1.02 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 2bw5 n THR 267 Cb 0.17 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2bw5 n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bw5 n GLY 268 N 1.46 0.60 3.18 3.38 0.00 -0.45 -4.76 105.19 108.60 2bw5 n GLY 268 Ca 0.23 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2bw5 n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bw5 s LYS 269 N -0.35 2.72 0.12 1.61 -0.14 -1.26 -0.52 119.74 121.91 2bw5 s LYS 269 Ca 0.00 -1.05 0.23 0.00 -1.36 0.00 0.00 55.97 53.78 2bw5 s LYS 269 Cb 0.00 -2.98 0.90 0.00 -1.68 0.00 0.00 37.83 34.07 2bw5 s LYS 269 CO 0.00 -0.44 1.71 1.19 -0.76 0.00 0.00 175.35 177.05 2bw5 n PHE 270 N 4.63 0.42 0.54 3.18 3.72 -1.12 -2.17 117.46 126.66 2bw5 n PHE 270 Ca -0.16 0.14 0.10 0.00 -0.05 0.00 0.00 57.45 57.49 2bw5 n PHE 270 Cb 0.46 -0.73 0.43 0.00 -0.94 0.00 0.00 39.48 38.69 2bw5 n PHE 270 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2bw5 n ARG 271 N -1.86 0.10 -3.41 -1.08 1.74 -1.26 -4.73 116.66 106.16 2bw5 n ARG 271 Ca 0.04 0.28 -0.34 0.00 -0.77 0.00 0.00 57.85 57.07 2bw5 n ARG 271 Cb 0.28 -1.67 -0.06 0.00 -1.02 0.00 0.00 32.46 29.99 2bw5 n ARG 271 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2bw5 s ASN 272 N -3.63 6.71 0.42 0.55 0.01 -0.92 -5.06 114.94 113.01 2bw5 s ASN 272 Ca 0.07 0.97 -0.26 0.00 -0.71 0.00 0.00 52.86 52.94 2bw5 s ASN 272 Cb 0.11 -2.25 -0.08 0.00 0.41 0.00 0.00 41.25 39.44 2bw5 s ASN 272 CO 0.38 0.02 1.31 -2.16 -1.51 0.00 0.00 177.10 175.14 2bw5 s PRO 273 N -2.38 3.91 0.65 -0.60 0.04 -1.26 -4.98 135.00 130.37 2bw5 s PRO 273 Ca 0.42 2.17 -0.15 0.00 0.04 0.00 0.00 61.00 63.48 2bw5 s PRO 273 Cb -0.13 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.68 2bw5 s PRO 273 CO 0.20 -0.55 1.09 -1.25 0.04 0.00 0.00 177.00 176.53 2bw5 s PRO 274 N -2.30 2.96 0.12 0.56 0.04 -1.26 -4.95 135.00 130.17 2bw5 s PRO 274 Ca 0.58 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 2bw5 s PRO 274 Cb -0.38 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 2bw5 s PRO 274 CO 0.49 -1.11 1.06 -0.51 0.04 0.00 0.00 177.00 176.97 2bw5 s ASP 275 N -2.81 7.32 0.06 6.66 1.01 0.23 -4.77 116.67 124.37 2bw5 s ASP 275 Ca 0.65 1.94 -0.05 0.00 0.71 0.00 0.00 52.55 55.80 2bw5 s ASP 275 Cb -0.18 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.11 2bw5 s ASP 275 CO 0.42 -0.21 0.29 -0.76 0.21 0.00 0.00 175.17 175.12 2bw5 s LEU 276 N 0.11 4.34 -1.41 1.23 1.43 -1.26 -0.45 118.68 122.67 2bw5 s LEU 276 Ca 0.50 0.52 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 2bw5 s LEU 276 Cb -0.27 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.02 2bw5 s LEU 276 CO 0.32 0.17 0.00 0.47 0.23 0.00 0.00 176.35 177.54 2bw5 n ASP 277 N 0.63 -4.70 -4.77 2.29 8.00 -0.74 -4.93 116.55 112.34 2bw5 n ASP 277 Ca -0.07 0.10 -0.41 0.00 0.71 0.00 0.00 54.79 55.12 2bw5 n ASP 277 Cb 0.52 -3.75 -0.02 0.00 -0.02 0.00 0.00 41.12 37.86 2bw5 n ASP 277 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2bw5 s GLN 278 N -4.33 4.32 -0.10 -1.24 -1.52 0.06 -4.82 119.66 112.02 2bw5 s GLN 278 Ca 0.00 2.27 -0.25 0.00 -1.95 0.00 0.00 55.36 55.43 2bw5 s GLN 278 Cb 0.00 -3.06 -0.28 0.00 -0.22 0.00 0.00 33.01 29.45 2bw5 s GLN 278 CO 0.00 -0.25 0.81 1.05 -0.25 0.00 0.00 175.29 176.65 2bw5 h GLU 279 N 3.43 0.14 -3.24 2.91 4.11 -1.91 -0.38 114.58 119.64 2bw5 h GLU 279 Ca -0.49 -0.25 -0.12 0.00 0.07 0.00 0.00 59.36 58.58 2bw5 h GLU 279 Cb 1.23 0.09 -0.19 0.00 0.50 0.00 0.00 28.75 30.38 2bw5 h GLU 279 CO 0.66 1.12 -0.33 0.99 0.07 0.00 0.00 179.01 181.52 2bw5 s THR 280 N -2.32 0.07 0.08 -1.06 2.01 -1.26 -4.35 115.64 108.81 2bw5 s THR 280 Ca -0.17 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.19 2bw5 s THR 280 Cb -0.01 -0.68 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 2bw5 s THR 280 CO 0.75 -0.34 0.05 -1.66 -0.69 0.00 0.00 174.62 172.74 2bw5 s TRP 281 N -1.72 0.48 -0.30 4.92 -2.14 -1.15 -5.00 118.94 114.02 2bw5 s TRP 281 Ca -0.11 -0.96 -0.06 0.00 2.66 0.00 0.00 56.10 57.62 2bw5 s TRP 281 Cb -0.04 -0.30 0.02 0.00 -3.10 0.00 0.00 33.47 30.04 2bw5 s TRP 281 CO 0.01 -0.46 0.08 -1.17 -2.66 0.00 0.00 176.95 172.75 2bw5 s LEU 282 N -2.93 3.93 -0.44 -4.66 1.98 -1.26 -2.89 118.68 112.41 2bw5 s LEU 282 Ca 0.10 -0.83 -0.18 0.00 -2.89 0.00 0.00 54.13 50.33 2bw5 s LEU 282 Cb 0.07 -1.87 0.03 0.00 0.66 0.00 0.00 46.19 45.08 2bw5 s LEU 282 CO -0.08 -0.22 0.50 -0.63 -1.89 0.00 0.00 176.35 174.03 2bw5 s ILE 283 N 1.46 5.01 0.53 6.68 1.01 -0.48 -4.58 121.20 130.84 2bw5 s ILE 283 Ca 0.01 -0.32 -0.20 0.00 0.00 0.00 0.00 60.65 60.14 2bw5 s ILE 283 Cb -0.18 -4.11 -0.06 0.00 0.01 0.00 0.00 42.46 38.12 2bw5 s ILE 283 CO 0.02 -0.52 1.17 -2.84 0.00 0.00 0.00 174.94 172.77 2bw5 s PRO 284 N 2.32 3.37 0.20 2.79 0.02 -1.26 -1.20 135.00 141.24 2bw5 s PRO 284 Ca 0.14 1.75 -0.32 0.00 0.02 0.00 0.00 61.00 62.59 2bw5 s PRO 284 Cb -0.17 -2.12 -0.14 0.00 0.02 0.00 0.00 34.50 32.09 2bw5 s PRO 284 CO 0.14 -0.87 1.36 0.41 -0.33 0.00 0.00 177.00 177.71 2bw5 n GLY 285 N 0.36 0.61 1.13 0.52 0.00 -1.18 -1.92 105.19 104.70 2bw5 n GLY 285 Ca 0.11 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.67 2bw5 n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bw5 n GLY 286 N 2.30 0.65 3.06 -0.02 0.00 0.74 -4.78 105.19 107.14 2bw5 n GLY 286 Ca 0.14 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 2bw5 n GLY 286 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bw5 s THR 287 N -2.00 0.17 -0.04 2.61 2.01 -0.81 -4.75 115.64 112.84 2bw5 s THR 287 Ca 0.00 -1.44 0.03 0.00 0.31 0.00 0.00 61.69 60.59 2bw5 s THR 287 Cb 0.00 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 2bw5 s THR 287 CO 0.00 -0.79 -0.11 0.00 -0.69 0.00 0.00 174.62 173.02 2bw5 s ALA 288 N -3.01 2.80 0.38 7.40 0.00 -1.26 -1.97 121.76 126.10 2bw5 s ALA 288 Ca -0.02 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.03 2bw5 s ALA 288 Cb 0.01 -1.04 -0.07 0.00 0.00 0.00 0.00 23.12 22.02 2bw5 s ALA 288 CO -0.07 0.57 0.00 0.20 0.00 0.00 0.00 175.76 176.47 2bw5 s GLY 289 N -0.94 2.35 -0.06 0.00 0.00 0.08 -3.08 107.32 105.67 2bw5 s GLY 289 Ca 0.13 -2.22 -0.05 0.00 0.00 0.00 0.00 44.72 42.58 2bw5 s GLY 289 CO 0.02 -2.02 0.16 0.00 0.00 0.00 0.00 173.10 171.26 2bw5 s ALA 290 N -2.83 -0.37 -0.05 3.20 0.00 -0.66 -1.06 121.76 119.99 2bw5 s ALA 290 Ca 0.35 0.48 0.03 0.00 0.00 0.00 0.00 51.96 52.82 2bw5 s ALA 290 Cb 0.09 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.92 2bw5 s ALA 290 CO 0.17 -0.09 -0.13 0.00 0.00 0.00 0.00 175.76 175.72 2bw5 s ALA 291 N 0.26 1.23 -0.15 0.00 0.00 -0.62 -0.75 121.76 121.73 2bw5 s ALA 291 Ca -0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.46 2bw5 s ALA 291 Cb -0.03 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 2bw5 s ALA 291 CO -0.01 0.16 -0.05 0.12 0.00 0.00 0.00 175.76 175.98 2bw5 s PHE 292 N 0.39 2.99 -0.01 0.00 2.19 0.30 -0.59 117.98 123.25 2bw5 s PHE 292 Ca -0.09 -0.34 -0.01 0.00 0.33 0.00 0.00 56.93 56.82 2bw5 s PHE 292 Cb -0.13 -1.93 0.00 0.00 -1.31 0.00 0.00 43.02 39.66 2bw5 s PHE 292 CO 0.02 -0.04 0.03 -0.47 1.83 0.00 0.00 175.22 176.59 2bw5 s TYR 293 N 0.30 -0.03 -0.30 10.12 5.04 -0.34 -0.85 117.35 131.29 2bw5 s TYR 293 Ca -0.05 0.08 -0.10 0.00 -2.44 0.00 0.00 57.07 54.57 2bw5 s TYR 293 Cb -0.14 0.00 -0.02 0.00 0.35 0.00 0.00 41.96 42.15 2bw5 s TYR 293 CO 0.03 -0.02 0.16 0.99 -1.34 0.00 0.00 175.55 175.37 2bw5 s THR 294 N 0.05 4.75 0.31 4.34 2.01 -1.26 -0.68 115.64 125.15 2bw5 s THR 294 Ca -0.00 -0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 2bw5 s THR 294 Cb -0.01 -3.37 -0.10 0.00 0.01 0.00 0.00 72.50 69.03 2bw5 s THR 294 CO -0.00 0.12 1.33 -0.36 -0.69 0.00 0.00 174.62 175.02 2bw5 s PHE 295 N 1.65 3.06 0.00 4.92 0.08 -0.72 -4.88 117.98 122.09 2bw5 s PHE 295 Ca 0.05 1.34 0.00 0.00 0.12 0.00 0.00 56.93 58.44 2bw5 s PHE 295 Cb -0.17 -3.70 0.00 0.00 -0.57 0.00 0.00 43.02 38.59 2bw5 s PHE 295 CO 0.07 -1.99 0.00 0.54 -0.10 0.00 0.00 175.22 173.74 2bw5 n ARG 296 N 1.18 4.89 -4.06 0.44 1.74 -1.26 -0.23 116.66 119.36 2bw5 n ARG 296 Ca 0.02 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.96 2bw5 n ARG 296 Cb 0.42 -0.63 -0.14 0.00 -1.02 0.00 0.00 32.46 31.09 2bw5 n ARG 296 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2bw5 s GLN 297 N -1.25 0.33 0.87 5.56 -1.52 -1.26 -4.66 119.66 117.72 2bw5 s GLN 297 Ca 0.00 -0.26 -0.12 0.00 -1.95 0.00 0.00 55.36 53.03 2bw5 s GLN 297 Cb 0.00 -0.25 0.14 0.00 -0.22 0.00 0.00 33.01 32.68 2bw5 s GLN 297 CO 0.00 0.06 1.22 -1.25 -0.25 0.00 0.00 175.29 175.07 2bw5 s PRO 298 N -0.41 1.32 0.00 2.91 0.04 -1.26 -4.81 135.00 132.79 2bw5 s PRO 298 Ca -0.02 -0.28 0.00 0.00 0.04 0.00 0.00 61.00 60.74 2bw5 s PRO 298 Cb -0.03 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2bw5 s PRO 298 CO -0.00 -1.95 0.00 0.41 0.04 0.00 0.00 177.00 175.50 2bw5 n GLY 299 N -3.46 -0.47 3.76 0.56 0.00 0.09 -4.92 105.19 100.76 2bw5 n GLY 299 Ca 0.12 -2.21 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 2bw5 n GLY 299 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bw5 s VAL 300 N 0.00 4.86 0.12 1.61 1.01 -1.26 -1.03 120.40 125.72 2bw5 s VAL 300 Ca 0.00 1.30 0.11 0.00 0.00 0.00 0.00 61.98 63.39 2bw5 s VAL 300 Cb 0.00 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2bw5 s VAL 300 CO 0.00 0.42 -0.27 -0.31 0.00 0.00 0.00 175.10 174.95 2bw5 s TYR 301 N -0.27 2.32 0.14 5.22 1.51 -0.27 -4.99 117.35 121.01 2bw5 s TYR 301 Ca 0.32 -0.38 0.05 0.00 -1.01 0.00 0.00 57.07 56.05 2bw5 s TYR 301 Cb -0.19 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 2bw5 s TYR 301 CO 0.18 0.33 0.10 0.00 -1.11 0.00 0.00 175.55 175.06 2bw5 s ALA 302 N -1.05 3.53 -0.14 3.71 0.00 -1.24 -1.03 121.76 125.54 2bw5 s ALA 302 Ca 0.14 -1.16 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 2bw5 s ALA 302 Cb -0.10 -1.35 0.03 0.00 0.00 0.00 0.00 23.12 21.70 2bw5 s ALA 302 CO 0.06 0.58 -0.09 -0.47 0.00 0.00 0.00 175.76 175.85 2bw5 s TYR 303 N -1.62 1.74 0.08 0.00 5.04 0.21 0.17 117.35 122.97 2bw5 s TYR 303 Ca 0.30 -0.98 0.01 0.00 -2.44 0.00 0.00 57.07 53.96 2bw5 s TYR 303 Cb -0.11 -1.36 -0.04 0.00 0.35 0.00 0.00 41.96 40.81 2bw5 s TYR 303 CO 0.22 -0.59 -0.06 0.14 -1.34 0.00 0.00 175.55 173.92 2bw5 s VAL 304 N 1.62 0.59 -0.12 3.14 -7.23 -0.27 -0.78 120.40 117.36 2bw5 s VAL 304 Ca 0.04 -1.76 -0.29 0.00 -1.81 0.00 0.00 61.98 58.15 2bw5 s VAL 304 Cb -0.13 -1.46 -0.02 0.00 0.56 0.00 0.00 36.38 35.33 2bw5 s VAL 304 CO -0.09 -0.80 1.27 0.21 -0.31 0.00 0.00 175.10 175.38 2bw5 s ASN 305 N -2.76 6.96 -0.09 4.85 3.84 -0.79 -1.08 114.94 125.88 2bw5 s ASN 305 Ca 0.07 1.78 0.03 0.00 0.21 0.00 0.00 52.86 54.95 2bw5 s ASN 305 Cb 0.03 -2.54 0.22 0.00 -0.55 0.00 0.00 41.25 38.41 2bw5 s ASN 305 CO -0.05 -0.71 0.98 1.57 -2.79 0.00 0.00 177.10 176.10 2bw5 n HIS 306 N 6.14 0.68 -2.67 0.43 -0.00 0.09 -3.89 115.22 116.02 2bw5 n HIS 306 Ca 0.13 -0.41 -0.42 0.00 -0.00 0.00 0.00 57.72 57.02 2bw5 n HIS 306 Cb 0.45 -0.29 -0.03 0.00 -0.00 0.00 0.00 29.99 30.12 2bw5 n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2bw5 s ASN 307 N -0.06 6.23 0.59 0.26 3.84 -1.26 -4.92 114.94 119.62 2bw5 s ASN 307 Ca 0.16 -0.48 0.36 0.00 0.21 0.00 0.00 52.86 53.10 2bw5 s ASN 307 Cb 0.12 -2.51 1.79 0.00 -0.55 0.00 0.00 41.25 40.10 2bw5 s ASN 307 CO 0.04 -1.61 2.16 -0.07 -2.79 0.00 0.00 177.10 174.83 2bw5 h LEU 308 N 12.18 0.00 -0.19 3.21 3.38 -1.99 0.19 115.31 132.08 2bw5 h LEU 308 Ca -0.27 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 2bw5 h LEU 308 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2bw5 h LEU 308 CO 1.22 0.04 -0.03 0.40 0.09 0.00 0.00 178.44 180.15 2bw5 h ILE 309 N 0.00 1.28 -1.00 1.22 2.04 -1.91 -0.04 117.51 119.09 2bw5 h ILE 309 Ca -0.00 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 64.91 2bw5 h ILE 309 Cb 0.26 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 2bw5 h ILE 309 CO 0.00 0.29 0.66 -0.33 0.00 0.00 0.00 178.15 178.78 2bw5 h GLU 310 N 0.09 1.27 0.74 2.37 5.08 -1.36 0.46 114.58 123.24 2bw5 h GLU 310 Ca 0.05 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2bw5 h GLU 310 Cb 0.46 -0.29 0.01 0.00 0.50 0.00 0.00 28.75 29.43 2bw5 h GLU 310 CO 0.02 0.84 -0.36 0.00 -1.00 0.00 0.00 179.01 178.51 2bw5 h ALA 311 N 1.40 -0.99 0.00 3.43 0.00 -1.01 -1.20 119.26 120.89 2bw5 h ALA 311 Ca 0.38 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2bw5 h ALA 311 Cb -0.07 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2bw5 h ALA 311 CO -0.10 -0.97 -1.54 1.19 0.00 0.00 0.00 179.25 177.82 2bw5 n PHE 312 N -5.46 0.03 -0.10 0.00 3.72 -0.04 -1.98 117.46 113.64 2bw5 n PHE 312 Ca -0.13 0.01 -0.12 0.00 -0.05 0.00 0.00 57.45 57.16 2bw5 n PHE 312 Cb 0.40 -0.32 -0.11 0.00 -0.94 0.00 0.00 39.48 38.51 2bw5 n PHE 312 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2bw5 n GLU 313 N -1.96 0.84 0.00 -1.08 -0.58 0.09 -4.73 120.64 113.22 2bw5 n GLU 313 Ca -0.01 0.07 0.09 0.00 -0.42 0.00 0.00 57.16 56.89 2bw5 n GLU 313 Cb 0.47 -1.43 -0.10 0.00 -0.57 0.00 0.00 31.44 29.81 2bw5 n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2bw5 n LEU 314 N -2.91 0.91 0.00 -4.62 4.77 -0.85 -5.02 117.00 109.28 2bw5 n LEU 314 Ca -0.34 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 2bw5 n LEU 314 Cb 0.97 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.06 2bw5 n LEU 314 CO 0.28 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2bw5 n GLY 315 N 1.43 1.10 2.48 -0.72 0.00 -0.77 -1.48 105.19 107.23 2bw5 n GLY 315 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2bw5 n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bw5 n ALA 316 N -0.01 6.83 -3.56 4.61 0.00 0.13 -4.04 120.51 124.48 2bw5 n ALA 316 Ca 0.00 -4.02 -0.12 0.00 0.00 0.00 0.00 53.44 49.29 2bw5 n ALA 316 Cb 0.00 -2.87 -0.12 0.00 0.00 0.00 0.00 19.45 16.46 2bw5 n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bw5 s ALA 317 N -0.62 -0.63 0.40 0.00 0.00 -1.25 -1.88 121.76 117.79 2bw5 s ALA 317 Ca 0.55 0.98 0.04 0.00 0.00 0.00 0.00 51.96 53.53 2bw5 s ALA 317 Cb 0.18 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 2bw5 s ALA 317 CO -0.09 -0.18 0.14 0.20 0.00 0.00 0.00 175.76 175.83 2bw5 s GLY 318 N 0.95 2.56 0.08 0.00 0.00 0.04 -4.51 107.32 106.45 2bw5 s GLY 318 Ca -0.07 -1.32 0.06 0.00 0.00 0.00 0.00 44.72 43.40 2bw5 s GLY 318 CO -0.06 -1.80 -0.17 0.30 0.00 0.00 0.00 173.10 171.36 2bw5 s HIS 319 N -3.24 1.46 0.02 1.90 3.76 0.04 -0.61 115.29 118.62 2bw5 s HIS 319 Ca 0.25 -0.43 0.02 0.00 -0.15 0.00 0.00 55.06 54.75 2bw5 s HIS 319 Cb 0.03 -0.82 -0.04 0.00 1.11 0.00 0.00 32.58 32.86 2bw5 s HIS 319 CO 0.15 0.11 0.00 -0.06 -0.85 0.00 0.00 174.74 174.10 2bw5 s PHE 320 N -1.17 3.07 -0.23 1.40 0.08 -0.19 -1.06 117.98 119.87 2bw5 s PHE 320 Ca 0.02 0.06 -0.03 0.00 0.12 0.00 0.00 56.93 57.10 2bw5 s PHE 320 Cb -0.10 -1.64 0.01 0.00 -0.57 0.00 0.00 43.02 40.72 2bw5 s PHE 320 CO 0.03 0.47 -0.06 0.15 -0.10 0.00 0.00 175.22 175.71 2bw5 s LYS 321 N -1.72 3.08 -0.12 0.44 1.02 0.19 -1.11 119.74 121.52 2bw5 s LYS 321 Ca 0.21 -0.82 0.01 0.00 0.02 0.00 0.00 55.97 55.40 2bw5 s LYS 321 Cb -0.12 -2.99 -0.01 0.00 -0.52 0.00 0.00 37.83 34.20 2bw5 s LYS 321 CO 0.12 -0.31 -0.17 0.08 -0.92 0.00 0.00 175.35 174.16 2bw5 s VAL 322 N 1.40 2.73 0.04 3.17 1.01 -0.20 -2.42 120.40 126.13 2bw5 s VAL 322 Ca 0.03 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 2bw5 s VAL 322 Cb -0.15 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 2bw5 s VAL 322 CO -0.04 0.54 0.30 -0.89 0.00 0.00 0.00 175.10 175.00 2bw5 s THR 323 N 0.33 5.26 -4.67 3.92 2.01 -0.49 -0.73 115.64 121.26 2bw5 s THR 323 Ca -0.13 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2bw5 s THR 323 Cb -0.17 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.76 2bw5 s THR 323 CO 0.07 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 2bw5 n GLY 324 N 0.93 0.95 3.82 4.40 0.00 -1.26 -0.50 105.19 113.54 2bw5 n GLY 324 Ca -0.09 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 2bw5 n GLY 324 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2bw5 s GLU 325 N -1.87 4.03 0.15 1.61 1.03 -1.26 -4.66 118.70 117.73 2bw5 s GLU 325 Ca 0.00 0.53 -0.30 0.00 0.03 0.00 0.00 54.97 55.23 2bw5 s GLU 325 Cb 0.00 -3.23 -0.07 0.00 -0.80 0.00 0.00 34.13 30.03 2bw5 s GLU 325 CO 0.00 0.66 0.99 -0.46 -1.33 0.00 0.00 175.26 175.13 2bw5 s TRP 326 N -1.06 3.79 -0.43 4.83 -0.11 -1.26 -4.30 118.94 120.40 2bw5 s TRP 326 Ca 0.26 1.77 -0.11 0.00 1.22 0.00 0.00 56.10 59.24 2bw5 s TRP 326 Cb -0.18 -3.10 0.08 0.00 -1.50 0.00 0.00 33.47 28.77 2bw5 s TRP 326 CO 0.15 0.04 0.29 1.21 -4.62 0.00 0.00 176.95 174.03 2bw5 s ASN 327 N -0.27 5.75 0.34 5.86 3.84 -1.26 -4.95 114.94 124.25 2bw5 s ASN 327 Ca 0.46 -1.48 0.26 0.00 0.21 0.00 0.00 52.86 52.31 2bw5 s ASN 327 Cb -0.25 -2.03 0.87 0.00 -0.55 0.00 0.00 41.25 39.29 2bw5 s ASN 327 CO 0.32 -0.57 1.77 0.44 -2.79 0.00 0.00 177.10 176.26 2bw5 h ASP 328 N 8.48 0.00 -0.48 -4.21 3.32 -1.97 -2.54 116.42 119.02 2bw5 h ASP 328 Ca -0.24 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.70 2bw5 h ASP 328 Cb 1.09 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 2bw5 h ASP 328 CO 0.79 0.00 -0.13 -0.78 -1.72 0.00 0.00 179.24 177.40 2bw5 h ASP 329 N 0.00 0.94 0.23 6.45 3.58 -2.02 -3.22 116.42 122.38 2bw5 h ASP 329 Ca 0.00 -0.37 -0.19 0.00 0.42 0.00 0.00 57.03 56.89 2bw5 h ASP 329 Cb 0.64 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.44 2bw5 h ASP 329 CO 0.00 1.09 -0.77 0.25 -2.88 0.00 0.00 179.24 176.93 2bw5 h LEU 330 N 0.78 0.54 -7.00 2.28 5.85 -1.90 -3.45 115.31 112.40 2bw5 h LEU 330 Ca 0.12 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 2bw5 h LEU 330 Cb 0.68 -0.16 -0.21 0.00 0.37 0.00 0.00 40.66 41.34 2bw5 h LEU 330 CO 0.05 1.12 0.11 -0.32 -0.34 0.00 0.00 178.44 179.06 2bw5 s MET 331 N -3.58 0.79 0.03 1.25 1.75 -1.01 -5.14 119.30 113.40 2bw5 s MET 331 Ca -0.06 1.05 -0.18 0.00 -1.25 0.00 0.00 55.69 55.26 2bw5 s MET 331 Cb 0.10 0.32 0.03 0.00 2.84 0.00 0.00 34.83 38.13 2bw5 s MET 331 CO 0.85 -0.11 0.40 -0.08 -0.65 0.00 0.00 175.02 175.42 2bw5 s THR 332 N 0.76 0.06 -0.45 10.11 -1.32 -1.25 -4.06 115.64 119.48 2bw5 s THR 332 Ca -0.03 -0.47 -0.27 0.00 -1.21 0.00 0.00 61.69 59.72 2bw5 s THR 332 Cb -0.05 -0.91 0.03 0.00 -1.51 0.00 0.00 72.50 70.06 2bw5 s THR 332 CO -0.06 -0.26 1.00 -0.55 -2.21 0.00 0.00 174.62 172.54 2bw5 s SER 333 N -1.88 6.57 -0.02 8.08 0.15 -1.26 -4.92 113.70 120.42 2bw5 s SER 333 Ca -0.07 0.30 -0.24 0.00 0.70 0.00 0.00 55.95 56.65 2bw5 s SER 333 Cb -0.01 -2.49 -0.20 0.00 -1.71 0.00 0.00 66.02 61.61 2bw5 s SER 333 CO -0.01 -1.09 1.18 0.58 1.20 0.00 0.00 173.24 175.10 2bw5 h VAL 334 N 6.09 1.46 -3.35 4.45 2.07 -2.01 -3.42 116.25 121.54 2bw5 h VAL 334 Ca -0.24 -1.56 -0.54 0.00 0.82 0.00 0.00 66.70 65.19 2bw5 h VAL 334 Cb 1.07 2.37 -0.38 0.00 -1.52 0.00 0.00 31.29 32.83 2bw5 h VAL 334 CO 1.05 0.43 -0.78 -0.69 0.02 0.00 0.00 177.57 177.60 2bw5 s VAL 335 N -3.74 0.99 0.67 2.57 1.01 -1.26 -5.13 120.40 115.51 2bw5 s VAL 335 Ca -0.15 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 2bw5 s VAL 335 Cb 0.02 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.17 2bw5 s VAL 335 CO 0.72 0.05 1.14 -0.54 0.00 0.00 0.00 175.10 176.48 2bw5 s LYS 336 N 1.68 2.62 -0.02 2.72 1.02 -1.26 -4.88 119.74 121.62 2bw5 s LYS 336 Ca -0.00 1.53 -0.38 0.00 0.02 0.00 0.00 55.97 57.14 2bw5 s LYS 336 Cb -0.16 -1.92 -0.17 0.00 -0.52 0.00 0.00 37.83 35.07 2bw5 s LYS 336 CO -0.07 -1.41 1.41 -2.30 -0.92 0.00 0.00 175.35 172.05 2bw5 n PRO 337 N -2.42 0.98 -3.45 -1.68 -0.02 -1.26 -4.94 135.00 122.21 2bw5 n PRO 337 Ca 0.11 0.36 -0.12 0.00 -2.02 0.00 0.00 63.50 61.83 2bw5 n PRO 337 Cb 0.51 -1.99 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 2bw5 n PRO 337 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bw5 s ALA 338 N 1.17 -1.52 -0.28 3.55 0.00 -1.26 -5.12 121.76 118.30 2bw5 s ALA 338 Ca 0.89 0.45 -0.32 0.00 0.00 0.00 0.00 51.96 52.97 2bw5 s ALA 338 Cb -1.03 0.84 -0.09 0.00 0.00 0.00 0.00 23.12 22.84 2bw5 s ALA 338 CO 0.53 -0.74 2.18 0.43 0.00 0.00 0.00 175.76 178.16 2bw5 n SER 339 N -0.32 2.66 0.00 0.00 7.64 -1.26 -5.26 113.62 117.08 2bw5 n SER 339 Ca -0.17 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2bw5 n SER 339 Cb 0.65 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 2bw5 n SER 339 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26