#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wa4 s GLN 2 N 0.00 3.09 0.01 2.12 -0.21 -0.78 -4.93 119.66 118.95 1wa4 s GLN 2 Ca 0.00 -0.52 0.05 0.00 0.02 0.00 0.00 55.36 54.91 1wa4 s GLN 2 Cb 0.00 -2.86 -0.02 0.00 1.00 0.00 0.00 33.01 31.13 1wa4 s GLN 2 CO 0.00 0.63 -0.17 0.00 -2.12 0.00 0.00 175.29 173.63 1wa4 s ALA 3 N -1.29 1.40 -0.14 6.09 0.00 -1.26 -0.30 121.76 126.26 1wa4 s ALA 3 Ca 0.26 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 1wa4 s ALA 3 Cb -0.12 -0.32 0.05 0.00 0.00 0.00 0.00 23.12 22.73 1wa4 s ALA 3 CO 0.18 0.33 0.04 0.50 0.00 0.00 0.00 175.76 176.81 1wa4 s ARG 4 N -0.66 0.41 -0.01 0.00 3.52 0.14 -5.00 118.95 117.36 1wa4 s ARG 4 Ca 0.06 -0.12 -0.30 0.00 -0.13 0.00 0.00 55.73 55.23 1wa4 s ARG 4 Cb -0.07 -1.61 -0.05 0.00 -1.56 0.00 0.00 34.95 31.67 1wa4 s ARG 4 CO 0.00 -0.54 1.30 0.15 -0.81 0.00 0.00 175.30 175.41 1wa4 s LYS 5 N 1.99 4.33 0.74 5.12 1.02 -1.26 -0.57 119.74 131.11 1wa4 s LYS 5 Ca 0.02 1.84 -0.09 0.00 0.02 0.00 0.00 55.97 57.76 1wa4 s LYS 5 Cb -0.15 -3.52 0.06 0.00 -0.52 0.00 0.00 37.83 33.70 1wa4 s LYS 5 CO -0.07 -0.48 1.08 -0.51 -0.92 0.00 0.00 175.35 174.45 1wa4 s LEU 6 N 2.09 2.71 0.19 3.17 1.43 0.38 -4.94 118.68 123.71 1wa4 s LEU 6 Ca 0.60 0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 54.29 1wa4 s LEU 6 Cb -0.29 -3.24 0.12 0.00 0.03 0.00 0.00 46.19 42.80 1wa4 s LEU 6 CO 0.25 -1.69 1.58 0.00 0.23 0.00 0.00 176.35 176.72 1wa4 h ALA 7 N -0.77 0.78 -2.32 4.21 0.00 -1.94 -3.42 119.26 115.80 1wa4 h ALA 7 Ca -0.45 -0.41 -0.54 0.00 0.00 0.00 0.00 54.91 53.51 1wa4 h ALA 7 Cb 1.32 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.99 1wa4 h ALA 7 CO 0.63 0.65 1.26 0.28 0.00 0.00 0.00 179.25 182.07 1wa4 n VAL 8 N -4.08 0.74 -1.68 0.00 0.31 -1.26 -4.81 118.33 107.55 1wa4 n VAL 8 Ca -0.01 -0.17 -0.46 0.00 -0.01 0.00 0.00 64.34 63.70 1wa4 n VAL 8 Cb 0.48 -2.35 -0.04 0.00 -0.91 0.00 0.00 33.84 31.02 1wa4 n VAL 8 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1wa4 n ASP 9 N 7.93 3.60 0.00 4.52 -0.08 -1.26 -1.11 116.55 130.15 1wa4 n ASP 9 Ca 0.21 1.00 0.00 0.00 -1.51 0.00 0.00 54.79 54.48 1wa4 n ASP 9 Cb 0.41 -1.45 0.00 0.00 2.34 0.00 0.00 41.12 42.42 1wa4 n ASP 9 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wa4 n GLY 10 N 4.14 2.67 3.78 0.27 0.00 -1.26 -4.93 105.19 109.87 1wa4 n GLY 10 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1wa4 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wa4 s ALA 11 N -2.11 3.08 -0.03 4.61 0.00 -0.26 -4.69 121.76 122.36 1wa4 s ALA 11 Ca 0.00 0.68 -0.02 0.00 0.00 0.00 0.00 51.96 52.62 1wa4 s ALA 11 Cb 0.00 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.88 1wa4 s ALA 11 CO 0.00 -0.19 0.08 0.42 0.00 0.00 0.00 175.76 176.06 1wa4 s ILE 12 N -1.69 -0.03 -0.20 0.00 1.01 -1.16 -0.47 121.20 118.67 1wa4 s ILE 12 Ca 0.58 0.11 -0.07 0.00 0.00 0.00 0.00 60.65 61.27 1wa4 s ILE 12 Cb -0.21 -0.13 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 1wa4 s ILE 12 CO 0.27 0.04 0.05 -0.70 0.00 0.00 0.00 174.94 174.60 1wa4 s GLU 13 N 0.62 3.86 -0.07 2.79 2.12 0.26 -0.47 118.70 127.82 1wa4 s GLU 13 Ca -0.05 -0.40 0.03 0.00 0.36 0.00 0.00 54.97 54.92 1wa4 s GLU 13 Cb -0.07 -3.21 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 1wa4 s GLU 13 CO -0.02 0.16 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.65 1wa4 s PHE 14 N 0.67 2.70 -0.39 5.30 0.08 0.00 0.27 117.98 126.61 1wa4 s PHE 14 Ca 0.03 -0.31 0.01 0.00 0.12 0.00 0.00 56.93 56.78 1wa4 s PHE 14 Cb -0.13 -1.67 0.11 0.00 -0.57 0.00 0.00 43.02 40.75 1wa4 s PHE 14 CO 0.02 0.07 0.14 0.99 -0.10 0.00 0.00 175.22 176.34 1wa4 s THR 15 N -0.45 2.73 0.52 0.64 2.01 0.59 -1.01 115.64 120.66 1wa4 s THR 15 Ca 0.05 -2.35 -0.18 0.00 0.31 0.00 0.00 61.69 59.52 1wa4 s THR 15 Cb -0.12 -2.93 -0.07 0.00 0.01 0.00 0.00 72.50 69.39 1wa4 s THR 15 CO 0.02 -0.66 1.03 -2.16 -0.69 0.00 0.00 174.62 172.16 1wa4 s PRO 16 N 0.84 3.69 0.47 4.92 0.04 -1.26 -1.86 135.00 141.85 1wa4 s PRO 16 Ca 0.11 1.24 -0.20 0.00 0.04 0.00 0.00 61.00 62.19 1wa4 s PRO 16 Cb -0.21 -2.09 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 1wa4 s PRO 16 CO -0.06 -0.51 1.01 1.03 0.04 0.00 0.00 177.00 178.52 1wa4 s ARG 17 N -3.60 3.93 -0.27 4.56 0.52 -1.26 -4.76 118.95 118.06 1wa4 s ARG 17 Ca 0.65 1.29 -0.07 0.00 -0.52 0.00 0.00 55.73 57.07 1wa4 s ARG 17 Cb -0.15 -2.12 -0.01 0.00 0.52 0.00 0.00 34.95 33.19 1wa4 s ARG 17 CO 0.26 -0.31 0.08 0.08 0.02 0.00 0.00 175.30 175.43 1wa4 s VAL 18 N -2.04 4.22 -0.24 3.52 1.01 -1.26 -4.41 120.40 121.19 1wa4 s VAL 18 Ca 0.66 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 1wa4 s VAL 18 Cb -0.14 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1wa4 s VAL 18 CO 0.18 0.22 0.15 -0.36 0.00 0.00 0.00 175.10 175.29 1wa4 s PHE 19 N 1.58 3.27 -0.04 5.22 0.08 -0.59 -4.96 117.98 122.54 1wa4 s PHE 19 Ca 0.05 0.14 0.07 0.00 0.12 0.00 0.00 56.93 57.31 1wa4 s PHE 19 Cb -0.16 -2.27 -0.02 0.00 -0.57 0.00 0.00 43.02 40.00 1wa4 s PHE 19 CO 0.03 -0.01 -0.25 0.00 -0.10 0.00 0.00 175.22 174.89 1wa4 s ALA 20 N 1.20 2.19 0.00 5.36 0.00 -1.26 -0.51 121.76 128.74 1wa4 s ALA 20 Ca 0.07 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1wa4 s ALA 20 Cb -0.14 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.35 1wa4 s ALA 20 CO 0.05 0.48 0.00 -0.40 0.00 0.00 0.00 175.76 175.89 1wa4 n ASP 21 N 2.66 0.00 0.24 0.00 5.68 -0.06 -5.01 116.55 120.06 1wa4 n ASP 21 Ca -0.17 -0.78 0.17 0.00 -0.50 0.00 0.00 54.79 53.51 1wa4 n ASP 21 Cb 0.51 0.00 0.86 0.00 -1.14 0.00 0.00 41.12 41.35 1wa4 n ASP 21 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1wa4 h ASP 22 N 0.00 0.00 1.28 -1.12 3.32 -2.05 -2.44 116.42 115.42 1wa4 h ASP 22 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1wa4 h ASP 22 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1wa4 h ASP 22 CO 0.00 0.00 -0.73 0.03 -1.72 0.00 0.00 179.24 176.82 1wa4 h ARG 23 N 0.00 0.00 0.00 3.56 3.08 -2.02 -3.50 114.38 115.50 1wa4 h ARG 23 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1wa4 h ARG 23 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1wa4 h ARG 23 CO -0.00 0.09 0.00 0.41 -1.07 0.00 0.00 179.97 179.40 1wa4 n GLY 24 N 1.19 0.45 3.02 0.04 0.00 -0.92 -5.14 105.19 103.84 1wa4 n GLY 24 Ca -0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 1wa4 n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wa4 s LEU 25 N 0.00 1.98 -0.05 0.99 0.20 -1.26 -0.89 118.68 119.65 1wa4 s LEU 25 Ca 0.00 -0.37 0.00 0.00 0.69 0.00 0.00 54.13 54.45 1wa4 s LEU 25 Cb 0.00 0.30 0.02 0.00 -0.43 0.00 0.00 46.19 46.09 1wa4 s LEU 25 CO 0.00 -0.31 -0.02 -0.22 -0.29 0.00 0.00 176.35 175.51 1wa4 s LEU 26 N -1.37 1.04 0.07 -0.68 0.20 0.34 -5.00 118.68 113.28 1wa4 s LEU 26 Ca -0.15 -0.09 0.06 0.00 0.69 0.00 0.00 54.13 54.64 1wa4 s LEU 26 Cb -0.09 -0.40 -0.03 0.00 -0.43 0.00 0.00 46.19 45.25 1wa4 s LEU 26 CO -0.00 -0.11 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.15 1wa4 s ILE 27 N 1.31 1.31 -0.78 6.68 1.01 -1.26 -1.54 121.20 127.92 1wa4 s ILE 27 Ca -0.05 -1.26 0.03 0.00 0.00 0.00 0.00 60.65 59.36 1wa4 s ILE 27 Cb -0.13 -1.20 0.19 0.00 0.01 0.00 0.00 42.46 41.32 1wa4 s ILE 27 CO -0.02 -0.08 0.60 -0.76 0.00 0.00 0.00 174.94 174.68 1wa4 s LEU 28 N -1.55 5.10 0.50 2.97 2.01 -1.26 -4.98 118.68 121.47 1wa4 s LEU 28 Ca 0.02 -3.82 0.21 0.00 0.01 0.00 0.00 54.13 50.55 1wa4 s LEU 28 Cb -0.09 -1.74 1.28 0.00 0.01 0.00 0.00 46.19 45.64 1wa4 s LEU 28 CO 0.02 -0.12 2.06 -0.65 1.01 0.00 0.00 176.35 178.68 1wa4 h PRO 29 N 5.61 0.00 -5.17 1.29 0.11 -1.98 -3.40 132.00 128.46 1wa4 h PRO 29 Ca 0.15 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.65 1wa4 h PRO 29 Cb 0.77 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.56 1wa4 h PRO 29 CO 0.77 0.13 -0.86 -0.47 -0.21 0.00 0.00 178.00 177.36 1wa4 s TYR 30 N -4.51 2.10 -0.06 0.65 5.04 -1.26 -4.78 117.35 114.53 1wa4 s TYR 30 Ca -0.04 -0.79 -0.03 0.00 -2.44 0.00 0.00 57.07 53.78 1wa4 s TYR 30 Cb 0.15 -1.43 0.04 0.00 0.35 0.00 0.00 41.96 41.06 1wa4 s TYR 30 CO 0.64 -0.32 0.09 -0.65 -1.34 0.00 0.00 175.55 173.96 1wa4 s GLN 31 N 0.34 -0.04 0.15 4.97 -0.21 -1.26 -5.08 119.66 118.54 1wa4 s GLN 31 Ca -0.14 0.37 -0.19 0.00 0.02 0.00 0.00 55.36 55.42 1wa4 s GLN 31 Cb -0.16 -0.60 0.06 0.00 1.00 0.00 0.00 33.01 33.31 1wa4 s GLN 31 CO 0.06 -0.36 1.67 1.49 -2.12 0.00 0.00 175.29 176.03 1wa4 h GLU 32 N 8.42 -0.04 0.31 2.91 4.81 -1.99 -1.13 114.58 127.87 1wa4 h GLU 32 Ca -0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1wa4 h GLU 32 Cb 1.12 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1wa4 h GLU 32 CO 0.16 -0.03 -0.38 0.93 -0.73 0.00 0.00 179.01 178.97 1wa4 h GLU 33 N -0.05 -0.71 -0.61 1.92 5.08 -1.99 0.62 114.58 118.84 1wa4 h GLU 33 Ca 0.16 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.66 1wa4 h GLU 33 Cb 0.29 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.63 1wa4 h GLU 33 CO -0.36 -0.47 0.25 0.00 -1.00 0.00 0.00 179.01 177.43 1wa4 h ALA 34 N -0.28 0.80 -0.07 3.43 0.00 -1.92 -2.16 119.26 119.06 1wa4 h ALA 34 Ca -0.01 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wa4 h ALA 34 Cb 0.68 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1wa4 h ALA 34 CO -0.10 -0.16 0.03 0.35 0.00 0.00 0.00 179.25 179.37 1wa4 h PHE 35 N 0.45 0.10 -0.81 0.00 3.57 -0.99 -1.47 116.94 117.79 1wa4 h PHE 35 Ca 0.31 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.81 1wa4 h PHE 35 Cb 0.35 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.02 1wa4 h PHE 35 CO -0.15 0.20 0.53 0.28 -2.23 0.00 0.00 178.31 176.94 1wa4 h VAL 36 N -0.02 1.21 -0.45 1.41 2.07 -0.78 0.11 116.25 119.79 1wa4 h VAL 36 Ca 0.02 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1wa4 h VAL 36 Cb 0.14 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 1wa4 h VAL 36 CO -0.00 0.21 0.11 -0.08 0.02 0.00 0.00 177.57 177.83 1wa4 h GLU 37 N 1.11 0.72 -0.26 1.57 4.57 -1.35 0.34 114.58 121.28 1wa4 h GLU 37 Ca 0.30 -0.17 -0.09 0.00 -1.18 0.00 0.00 59.36 58.22 1wa4 h GLU 37 Cb -0.12 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 1wa4 h GLU 37 CO -0.06 0.72 -0.18 0.00 -1.18 0.00 0.00 179.01 178.31 1wa4 h ALA 38 N 0.97 0.37 0.01 2.92 0.00 -0.95 -3.38 119.26 119.20 1wa4 h ALA 38 Ca 0.14 -0.34 -0.34 0.00 0.00 0.00 0.00 54.91 54.37 1wa4 h ALA 38 Cb 0.32 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1wa4 h ALA 38 CO 0.00 0.29 -2.13 1.58 0.00 0.00 0.00 179.25 178.99 1wa4 n HIS 39 N -4.41 0.42 0.00 0.00 -0.00 0.35 -5.00 115.22 106.58 1wa4 n HIS 39 Ca -0.04 0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 1wa4 n HIS 39 Cb 0.39 -1.07 0.00 0.00 -0.00 0.00 0.00 29.99 29.31 1wa4 n HIS 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1wa4 n GLY 40 N 1.72 0.46 3.80 1.57 0.00 0.12 -5.05 105.19 107.81 1wa4 n GLY 40 Ca -0.28 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 1wa4 n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wa4 s GLY 41 N -1.86 -0.04 0.86 -0.02 0.00 -1.24 -4.86 107.32 100.17 1wa4 s GLY 41 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 44.72 44.26 1wa4 s GLY 41 CO 0.00 -0.15 1.16 2.56 0.00 0.00 0.00 173.10 176.67 1wa4 s PRO 42 N -3.92 1.53 0.62 2.90 0.04 -1.24 -3.97 135.00 130.96 1wa4 s PRO 42 Ca 0.12 0.21 -0.18 0.00 0.04 0.00 0.00 61.00 61.19 1wa4 s PRO 42 Cb -0.05 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 1wa4 s PRO 42 CO 0.06 -1.91 0.74 -0.11 0.04 0.00 0.00 177.00 175.81 1wa4 n LEU 43 N -3.55 2.20 -4.56 -3.56 7.94 -1.26 -4.54 117.00 109.66 1wa4 n LEU 43 Ca 0.07 0.73 -0.33 0.00 -1.11 0.00 0.00 56.01 55.37 1wa4 n LEU 43 Cb 0.60 -1.29 0.12 0.00 0.53 0.00 0.00 43.42 43.39 1wa4 n LEU 43 CO 0.57 -2.52 0.37 2.22 -1.11 0.00 0.00 177.39 176.93 1wa4 n PHE 44 N -1.92 0.01 -1.78 1.96 1.16 -1.26 -4.80 117.46 110.83 1wa4 n PHE 44 Ca 0.12 0.34 -0.41 0.00 -1.87 0.00 0.00 57.45 55.64 1wa4 n PHE 44 Cb 0.48 -1.95 -0.00 0.00 -1.61 0.00 0.00 39.48 36.40 1wa4 n PHE 44 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1wa4 n ARG 45 N -2.58 2.69 -3.01 3.97 5.12 -1.26 -4.95 116.66 116.65 1wa4 n ARG 45 Ca 0.11 0.94 -0.42 0.00 -1.93 0.00 0.00 57.85 56.55 1wa4 n ARG 45 Cb 0.52 -2.68 -0.05 0.00 -1.16 0.00 0.00 32.46 29.08 1wa4 n ARG 45 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1wa4 s VAL 46 N -1.12 4.85 -0.16 1.55 1.01 -1.26 -4.41 120.40 120.86 1wa4 s VAL 46 Ca 0.53 1.07 0.18 0.00 0.00 0.00 0.00 61.98 63.77 1wa4 s VAL 46 Cb -0.47 -4.09 -0.26 0.00 0.00 0.00 0.00 36.38 31.56 1wa4 s VAL 46 CO 0.64 -0.20 0.22 0.00 0.00 0.00 0.00 175.10 175.76 1wa4 n ALA 47 N 6.07 1.78 -3.46 5.51 0.00 -0.71 -5.01 120.51 124.69 1wa4 n ALA 47 Ca 0.02 -1.11 -0.16 0.00 0.00 0.00 0.00 53.44 52.19 1wa4 n ALA 47 Cb 0.48 -0.36 -0.07 0.00 0.00 0.00 0.00 19.45 19.50 1wa4 n ALA 47 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1wa4 s GLN 48 N -2.72 0.88 0.20 0.00 0.74 -1.18 -4.64 119.66 112.94 1wa4 s GLN 48 Ca -0.09 0.34 0.10 0.00 0.05 0.00 0.00 55.36 55.75 1wa4 s GLN 48 Cb 0.08 0.41 -0.04 0.00 1.10 0.00 0.00 33.01 34.56 1wa4 s GLN 48 CO 0.84 -0.23 -0.11 0.95 -0.55 0.00 0.00 175.29 176.20 1wa4 s THR 49 N -0.77 3.08 -0.05 -0.34 -4.23 -1.26 -1.18 115.64 110.88 1wa4 s THR 49 Ca -0.08 -1.80 0.03 0.00 -1.18 0.00 0.00 61.69 58.65 1wa4 s THR 49 Cb -0.02 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.28 1wa4 s THR 49 CO 0.06 -0.18 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.21 1wa4 s ILE 50 N -1.87 1.09 -0.26 2.99 -1.09 -0.34 -4.98 121.20 116.75 1wa4 s ILE 50 Ca 0.26 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 58.19 1wa4 s ILE 50 Cb -0.08 -0.98 0.04 0.00 -1.58 0.00 0.00 42.46 39.86 1wa4 s ILE 50 CO 0.15 0.34 -0.08 -2.28 -1.23 0.00 0.00 174.94 171.84 1wa4 s HIS 51 N 0.42 3.15 -0.09 3.97 5.65 -1.26 -0.61 115.29 126.53 1wa4 s HIS 51 Ca -0.09 -1.91 0.04 0.00 0.25 0.00 0.00 55.06 53.35 1wa4 s HIS 51 Cb -0.13 -2.01 0.00 0.00 -1.18 0.00 0.00 32.58 29.26 1wa4 s HIS 51 CO 0.02 -0.81 -0.22 0.45 -0.65 0.00 0.00 174.74 173.53 1wa4 s SER 52 N 1.23 2.85 -0.03 9.88 0.15 -0.37 -4.99 113.70 122.41 1wa4 s SER 52 Ca -0.04 -0.51 0.07 0.00 0.70 0.00 0.00 55.95 56.18 1wa4 s SER 52 Cb -0.18 -1.21 -0.02 0.00 -1.71 0.00 0.00 66.02 62.91 1wa4 s SER 52 CO -0.05 0.15 -0.24 -0.32 1.20 0.00 0.00 173.24 173.99 1wa4 s MET 53 N 0.30 2.10 0.08 5.44 1.75 -1.26 -0.60 119.30 127.11 1wa4 s MET 53 Ca -0.15 -0.86 0.06 0.00 -1.25 0.00 0.00 55.69 53.49 1wa4 s MET 53 Cb -0.17 -1.94 -0.03 0.00 2.84 0.00 0.00 34.83 35.53 1wa4 s MET 53 CO 0.07 0.47 -0.17 -1.12 -0.65 0.00 0.00 175.02 173.63 1wa4 s SER 54 N -0.44 1.99 0.70 1.11 0.01 0.00 -4.93 113.70 112.14 1wa4 s SER 54 Ca 0.05 -0.64 -0.11 0.00 1.31 0.00 0.00 55.95 56.56 1wa4 s SER 54 Cb -0.11 -0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.06 1wa4 s SER 54 CO 0.00 -0.03 1.09 -0.54 0.41 0.00 0.00 173.24 174.17 1wa4 s LYS 55 N -1.81 2.86 0.24 12.44 1.02 -1.26 -1.98 119.74 131.26 1wa4 s LYS 55 Ca 0.01 0.44 -0.31 0.00 0.02 0.00 0.00 55.97 56.13 1wa4 s LYS 55 Cb -0.10 -2.03 -0.12 0.00 -0.52 0.00 0.00 37.83 35.06 1wa4 s LYS 55 CO 0.03 -1.02 1.66 -2.13 -0.92 0.00 0.00 175.35 172.97 1wa4 n ARG 56 N -2.99 2.71 -0.32 1.68 0.63 -1.24 -2.06 116.66 115.07 1wa4 n ARG 56 Ca 0.07 0.97 0.00 0.00 -0.92 0.00 0.00 57.85 57.97 1wa4 n ARG 56 Cb 0.57 -2.79 0.00 0.00 0.45 0.00 0.00 32.46 30.69 1wa4 n ARG 56 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wa4 n GLY 57 N 3.13 1.00 3.73 5.14 0.00 0.27 -4.90 105.19 113.56 1wa4 n GLY 57 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1wa4 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wa4 s VAL 58 N -2.81 3.28 -0.15 1.61 1.01 -0.88 -0.72 120.40 121.74 1wa4 s VAL 58 Ca 0.00 0.98 0.01 0.00 0.00 0.00 0.00 61.98 62.96 1wa4 s VAL 58 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1wa4 s VAL 58 CO 0.00 0.11 -0.16 -0.69 0.00 0.00 0.00 175.10 174.35 1wa4 s VAL 59 N 0.66 2.57 -0.07 2.92 1.01 -0.21 -1.73 120.40 125.54 1wa4 s VAL 59 Ca 0.61 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1wa4 s VAL 59 Cb -0.36 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1wa4 s VAL 59 CO 0.34 0.52 -0.23 -0.13 0.00 0.00 0.00 175.10 175.60 1wa4 s ARG 60 N 0.83 2.71 0.00 2.72 0.52 -0.88 -4.45 118.95 120.40 1wa4 s ARG 60 Ca -0.05 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.29 1wa4 s ARG 60 Cb -0.15 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.07 1wa4 s ARG 60 CO -0.01 0.35 0.00 0.41 0.02 0.00 0.00 175.30 176.07 1wa4 n GLY 61 N 3.06 0.56 3.70 -3.53 0.00 -1.26 -1.99 105.19 105.73 1wa4 n GLY 61 Ca -0.18 -2.30 -0.42 0.00 0.00 0.00 0.00 46.02 43.12 1wa4 n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wa4 s ILE 62 N -0.53 4.84 -0.04 -0.61 1.01 -0.48 -4.10 121.20 121.28 1wa4 s ILE 62 Ca 0.00 2.01 0.01 0.00 0.00 0.00 0.00 60.65 62.67 1wa4 s ILE 62 Cb 0.00 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.14 1wa4 s ILE 62 CO 0.00 0.09 -0.03 -1.00 0.00 0.00 0.00 174.94 174.00 1wa4 s HIS 63 N 1.46 3.03 0.26 3.97 3.76 0.43 -0.40 115.29 127.80 1wa4 s HIS 63 Ca 0.49 0.08 -0.10 0.00 -0.15 0.00 0.00 55.06 55.38 1wa4 s HIS 63 Cb -0.20 -1.71 -0.01 0.00 1.11 0.00 0.00 32.58 31.78 1wa4 s HIS 63 CO 0.23 0.41 0.45 1.52 -0.85 0.00 0.00 174.74 176.50 1wa4 s TYR 64 N -0.93 0.52 -0.08 1.40 -0.85 -0.03 -2.09 117.35 115.29 1wa4 s TYR 64 Ca 0.15 -0.86 0.03 0.00 -0.52 0.00 0.00 57.07 55.87 1wa4 s TYR 64 Cb -0.11 0.10 -0.01 0.00 0.38 0.00 0.00 41.96 42.31 1wa4 s TYR 64 CO 0.05 -1.00 -0.19 0.99 -1.52 0.00 0.00 175.55 173.89 1wa4 s THR 65 N -3.85 2.61 0.12 -3.49 2.01 -1.26 0.70 115.64 112.47 1wa4 s THR 65 Ca 0.25 -0.85 -0.35 0.00 0.31 0.00 0.00 61.69 61.04 1wa4 s THR 65 Cb -0.00 -2.02 -0.16 0.00 0.01 0.00 0.00 72.50 70.33 1wa4 s THR 65 CO 0.11 0.56 1.31 0.52 -0.69 0.00 0.00 174.62 176.43 1wa4 n VAL 66 N 3.03 0.25 -4.02 3.82 0.31 0.21 -4.55 118.33 117.38 1wa4 n VAL 66 Ca -0.18 -0.06 -0.29 0.00 -0.01 0.00 0.00 64.34 63.80 1wa4 n VAL 66 Cb 0.52 -0.88 -0.17 0.00 -0.91 0.00 0.00 33.84 32.41 1wa4 n VAL 66 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1wa4 s THR 67 N 0.32 1.37 0.86 2.52 2.01 -1.26 -0.51 115.64 120.95 1wa4 s THR 67 Ca 0.81 -0.51 -0.11 0.00 0.31 0.00 0.00 61.69 62.19 1wa4 s THR 67 Cb -0.91 -1.31 0.11 0.00 0.01 0.00 0.00 72.50 70.41 1wa4 s THR 67 CO 0.48 0.42 1.10 -2.16 -0.69 0.00 0.00 174.62 173.78 1wa4 s PRO 68 N 1.52 1.50 0.36 4.92 0.04 -1.26 -4.61 135.00 137.46 1wa4 s PRO 68 Ca 0.04 1.19 0.14 0.00 0.04 0.00 0.00 61.00 62.41 1wa4 s PRO 68 Cb -0.13 -1.81 0.66 0.00 0.04 0.00 0.00 34.50 33.27 1wa4 s PRO 68 CO -0.09 -2.18 1.77 -1.00 0.04 0.00 0.00 177.00 175.54 1wa4 h PRO 69 N -1.52 0.00 -1.49 0.56 0.13 -1.88 -3.52 132.00 124.27 1wa4 h PRO 69 Ca -0.46 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.83 1wa4 h PRO 69 Cb 1.26 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.31 1wa4 h PRO 69 CO 0.49 0.42 -0.52 0.41 -0.23 0.00 0.00 178.00 178.57 1wa4 n GLY 70 N -0.18 -2.81 2.89 1.56 0.00 0.33 -5.03 105.19 101.95 1wa4 n GLY 70 Ca -0.01 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 1wa4 n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wa4 s THR 71 N -3.35 -0.02 -0.01 2.61 2.01 -1.26 -4.81 115.64 110.81 1wa4 s THR 71 Ca 0.00 0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.07 1wa4 s THR 71 Cb 0.00 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 72.36 1wa4 s THR 71 CO 0.00 0.03 0.10 0.00 -0.69 0.00 0.00 174.62 174.06 1wa4 s ALA 72 N 0.47 3.66 0.10 7.40 0.00 -1.26 -3.96 121.76 128.17 1wa4 s ALA 72 Ca -0.04 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1wa4 s ALA 72 Cb -0.05 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 1wa4 s ALA 72 CO -0.02 0.70 -0.08 0.15 0.00 0.00 0.00 175.76 176.51 1wa4 s LYS 73 N -1.76 0.85 -0.11 0.00 1.02 -0.65 -1.55 119.74 117.54 1wa4 s LYS 73 Ca 0.23 -1.26 -0.02 0.00 0.02 0.00 0.00 55.97 54.95 1wa4 s LYS 73 Cb -0.12 -0.36 0.04 0.00 -0.52 0.00 0.00 37.83 36.86 1wa4 s LYS 73 CO 0.15 0.03 -0.00 -0.47 -0.92 0.00 0.00 175.35 174.13 1wa4 s TYR 74 N -3.08 0.92 -0.02 3.18 5.04 -0.59 -0.19 117.35 122.61 1wa4 s TYR 74 Ca 0.09 -0.46 0.06 0.00 -2.44 0.00 0.00 57.07 54.33 1wa4 s TYR 74 Cb 0.01 -0.94 -0.02 0.00 0.35 0.00 0.00 41.96 41.37 1wa4 s TYR 74 CO -0.02 -0.44 -0.22 0.54 -1.34 0.00 0.00 175.55 174.08 1wa4 s VAL 75 N 1.89 1.71 0.11 3.14 0.11 -0.46 -1.21 120.40 125.70 1wa4 s VAL 75 Ca 0.03 -0.92 0.06 0.00 -2.93 0.00 0.00 61.98 58.22 1wa4 s VAL 75 Cb -0.14 -1.43 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 1wa4 s VAL 75 CO -0.06 0.48 -0.14 -0.72 -3.33 0.00 0.00 175.10 171.33 1wa4 s TYR 76 N -0.44 1.37 -0.36 1.54 -0.85 -0.46 0.14 117.35 118.30 1wa4 s TYR 76 Ca 0.06 -0.54 -0.13 0.00 -0.52 0.00 0.00 57.07 55.94 1wa4 s TYR 76 Cb -0.09 -0.73 -0.00 0.00 0.38 0.00 0.00 41.96 41.52 1wa4 s TYR 76 CO -0.00 0.13 0.25 0.00 -1.52 0.00 0.00 175.55 174.41 1wa4 n ALA 78 N 5.11 3.30 -3.64 0.00 0.00 0.11 -4.74 120.51 120.65 1wa4 n ALA 78 Ca -0.12 -0.40 -0.05 0.00 0.00 0.00 0.00 53.44 52.87 1wa4 n ALA 78 Cb 0.49 -1.11 -0.07 0.00 0.00 0.00 0.00 19.45 18.76 1wa4 n ALA 78 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1wa4 s ARG 79 N -2.69 0.24 1.91 0.00 3.52 -1.23 -4.92 118.95 115.78 1wa4 s ARG 79 Ca 0.19 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 56.05 1wa4 s ARG 79 Cb 0.18 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.69 1wa4 s ARG 79 CO 0.59 -0.03 0.00 0.41 -0.81 0.00 0.00 175.30 175.46 1wa4 n GLY 80 N 1.75 -0.14 3.28 8.12 0.00 -1.26 -0.86 105.19 116.08 1wa4 n GLY 80 Ca -0.11 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 1wa4 n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wa4 s LYS 81 N 0.00 0.48 0.00 1.61 2.20 -1.26 -3.15 119.74 119.62 1wa4 s LYS 81 Ca 0.00 0.48 -0.13 0.00 -0.36 0.00 0.00 55.97 55.96 1wa4 s LYS 81 Cb 0.00 0.23 0.02 0.00 -1.51 0.00 0.00 37.83 36.57 1wa4 s LYS 81 CO 0.00 -0.07 0.28 0.00 -0.36 0.00 0.00 175.35 175.20 1wa4 s ALA 82 N 0.08 -0.68 -0.46 3.13 0.00 0.03 -0.15 121.76 123.70 1wa4 s ALA 82 Ca -0.01 0.16 -0.19 0.00 0.00 0.00 0.00 51.96 51.92 1wa4 s ALA 82 Cb -0.03 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.27 1wa4 s ALA 82 CO 0.01 -0.29 0.60 1.41 0.00 0.00 0.00 175.76 177.48 1wa4 s MET 83 N -1.68 3.18 0.15 0.00 1.75 -0.44 -0.71 119.30 121.55 1wa4 s MET 83 Ca -0.11 -0.63 -0.13 0.00 -1.25 0.00 0.00 55.69 53.57 1wa4 s MET 83 Cb -0.04 -4.01 -0.07 0.00 2.84 0.00 0.00 34.83 33.55 1wa4 s MET 83 CO 0.02 -1.06 0.52 0.34 -0.65 0.00 0.00 175.02 174.19 1wa4 s ASP 84 N 2.21 6.75 -0.05 1.11 2.15 -0.32 -1.61 116.67 126.91 1wa4 s ASP 84 Ca 0.18 0.99 -0.02 0.00 0.43 0.00 0.00 52.55 54.13 1wa4 s ASP 84 Cb -0.16 -2.25 0.03 0.00 -0.30 0.00 0.00 42.92 40.24 1wa4 s ASP 84 CO 0.15 0.09 0.09 -0.63 -0.17 0.00 0.00 175.17 174.70 1wa4 s ILE 85 N -1.51 -0.14 -0.19 4.11 1.01 -0.32 -0.40 121.20 123.75 1wa4 s ILE 85 Ca 0.38 0.37 -0.12 0.00 0.00 0.00 0.00 60.65 61.29 1wa4 s ILE 85 Cb -0.14 -0.19 -0.05 0.00 0.01 0.00 0.00 42.46 42.10 1wa4 s ILE 85 CO 0.19 0.16 0.21 -0.69 0.00 0.00 0.00 174.94 174.81 1wa4 s VAL 86 N 2.03 5.35 -0.18 2.92 1.01 -0.28 -1.65 120.40 129.61 1wa4 s VAL 86 Ca 0.02 0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1wa4 s VAL 86 Cb -0.12 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 1wa4 s VAL 86 CO -0.04 0.40 -0.11 -0.63 0.00 0.00 0.00 175.10 174.72 1wa4 s ILE 87 N 0.54 2.94 -0.77 2.22 1.09 0.13 -1.22 121.20 126.13 1wa4 s ILE 87 Ca 0.12 -0.66 -0.26 0.00 -1.10 0.00 0.00 60.65 58.74 1wa4 s ILE 87 Cb -0.12 -2.28 0.03 0.00 -1.06 0.00 0.00 42.46 39.02 1wa4 s ILE 87 CO 0.01 0.48 1.38 -0.62 -0.10 0.00 0.00 174.94 176.10 1wa4 s ASP 88 N 1.05 6.09 -0.08 3.58 -1.08 0.85 -0.66 116.67 126.43 1wa4 s ASP 88 Ca -0.00 -0.52 0.19 0.00 -0.52 0.00 0.00 52.55 51.71 1wa4 s ASP 88 Cb -0.15 -2.56 0.69 0.00 -1.46 0.00 0.00 42.92 39.45 1wa4 s ASP 88 CO -0.02 -1.87 1.60 2.30 0.52 0.00 0.00 175.17 177.70 1wa4 n ILE 89 N 6.58 1.59 -2.89 4.11 -5.35 -1.26 -0.46 119.36 121.67 1wa4 n ILE 89 Ca 0.10 -1.15 -0.43 0.00 -0.27 0.00 0.00 62.75 61.00 1wa4 n ILE 89 Cb 0.50 0.24 -0.05 0.00 -1.74 0.00 0.00 39.64 38.59 1wa4 n ILE 89 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1wa4 s ARG 90 N -1.60 3.46 0.15 6.28 0.52 -1.26 -4.01 118.95 122.49 1wa4 s ARG 90 Ca 0.50 0.00 -0.31 0.00 -0.52 0.00 0.00 55.73 55.40 1wa4 s ARG 90 Cb 0.31 -3.94 -0.10 0.00 0.52 0.00 0.00 34.95 31.74 1wa4 s ARG 90 CO 0.27 -1.18 1.61 0.08 0.02 0.00 0.00 175.30 176.10 1wa4 s VAL 91 N 3.53 2.63 0.00 3.52 1.01 -0.49 -1.87 120.40 128.71 1wa4 s VAL 91 Ca 0.33 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1wa4 s VAL 91 Cb -0.11 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1wa4 s VAL 91 CO 0.24 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.97 1wa4 n GLY 92 N 3.85 2.93 3.77 4.51 0.00 -1.26 -0.90 105.19 118.08 1wa4 n GLY 92 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1wa4 n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wa4 s SER 93 N -1.30 6.20 0.59 1.61 0.15 -0.78 -4.90 113.70 115.27 1wa4 s SER 93 Ca 0.00 2.83 0.39 0.00 0.70 0.00 0.00 55.95 59.88 1wa4 s SER 93 Cb 0.00 -2.65 2.09 0.00 -1.71 0.00 0.00 66.02 63.75 1wa4 s SER 93 CO 0.00 -0.95 2.20 1.55 1.20 0.00 0.00 173.24 177.25 1wa4 h PRO 94 N 2.67 0.00 -0.01 5.44 0.13 -1.98 -1.45 132.00 136.80 1wa4 h PRO 94 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1wa4 h PRO 94 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1wa4 h PRO 94 CO 0.63 0.00 -0.18 0.25 -0.23 0.00 0.00 178.00 178.47 1wa4 n THR 95 N -2.93 2.03 -1.59 1.56 -2.24 -1.26 -5.06 114.28 104.79 1wa4 n THR 95 Ca -0.02 -2.62 -0.49 0.00 -2.27 0.00 0.00 64.05 58.65 1wa4 n THR 95 Cb 0.09 -0.24 -0.04 0.00 -2.10 0.00 0.00 70.33 68.04 1wa4 n THR 95 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1wa4 n PHE 96 N -1.30 1.44 0.00 4.78 7.35 -0.55 -1.24 117.46 127.94 1wa4 n PHE 96 Ca 0.18 0.64 0.00 0.00 -0.76 0.00 0.00 57.45 57.50 1wa4 n PHE 96 Cb 0.67 -2.31 0.00 0.00 0.35 0.00 0.00 39.48 38.19 1wa4 n PHE 96 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1wa4 n GLY 97 N 2.17 2.48 3.79 7.13 0.00 0.39 -5.02 105.19 116.14 1wa4 n GLY 97 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1wa4 n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wa4 s GLN 98 N -0.21 4.36 0.23 1.61 -0.21 -0.37 -4.84 119.66 120.22 1wa4 s GLN 98 Ca 0.00 1.39 0.11 0.00 0.02 0.00 0.00 55.36 56.87 1wa4 s GLN 98 Cb 0.00 -2.61 -0.05 0.00 1.00 0.00 0.00 33.01 31.35 1wa4 s GLN 98 CO 0.00 0.05 -0.19 1.67 -2.12 0.00 0.00 175.29 174.70 1wa4 s TRP 99 N -1.70 2.11 0.02 0.91 1.48 -1.26 -0.10 118.94 120.40 1wa4 s TRP 99 Ca 0.55 -0.40 0.04 0.00 -1.06 0.00 0.00 56.10 55.23 1wa4 s TRP 99 Cb -0.19 -0.97 -0.02 0.00 -1.16 0.00 0.00 33.47 31.14 1wa4 s TRP 99 CO 0.24 0.55 -0.12 -0.51 -4.06 0.00 0.00 176.95 173.06 1wa4 s ASP 100 N -3.20 1.40 -0.01 -2.66 1.01 -0.35 -4.85 116.67 108.01 1wa4 s ASP 100 Ca 0.25 -0.37 0.04 0.00 0.71 0.00 0.00 52.55 53.18 1wa4 s ASP 100 Cb -0.05 -0.10 -0.03 0.00 1.01 0.00 0.00 42.92 43.75 1wa4 s ASP 100 CO 0.11 0.04 -0.10 -0.94 0.21 0.00 0.00 175.17 174.50 1wa4 s SER 101 N -0.86 4.41 -0.12 0.27 1.04 -1.26 -1.12 113.70 116.05 1wa4 s SER 101 Ca 0.01 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.29 1wa4 s SER 101 Cb -0.07 -0.98 0.01 0.00 0.10 0.00 0.00 66.02 65.08 1wa4 s SER 101 CO 0.01 0.30 -0.19 -0.69 0.98 0.00 0.00 173.24 173.64 1wa4 s VAL 102 N -0.92 1.81 -0.29 5.02 1.01 0.47 -4.98 120.40 122.52 1wa4 s VAL 102 Ca 0.15 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 1wa4 s VAL 102 Cb -0.11 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1wa4 s VAL 102 CO 0.05 0.50 1.41 -0.22 0.00 0.00 0.00 175.10 176.84 1wa4 s LEU 103 N 0.86 3.85 -0.19 3.92 2.96 -1.26 -1.17 118.68 127.65 1wa4 s LEU 103 Ca -0.07 1.29 -0.09 0.00 -0.22 0.00 0.00 54.13 55.04 1wa4 s LEU 103 Cb -0.15 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 1wa4 s LEU 103 CO -0.01 -1.17 0.10 -0.04 -1.32 0.00 0.00 176.35 173.90 1wa4 s MET 104 N 4.40 4.07 0.06 1.98 -1.94 0.11 -4.76 119.30 123.23 1wa4 s MET 104 Ca 0.61 -0.29 -0.27 0.00 -1.71 0.00 0.00 55.69 54.04 1wa4 s MET 104 Cb -0.19 -3.32 0.09 0.00 2.01 0.00 0.00 34.83 33.42 1wa4 s MET 104 CO 0.26 0.27 0.92 0.16 -0.01 0.00 0.00 175.02 176.62 1wa4 s ASP 105 N 0.40 -0.28 0.47 3.03 -4.77 -1.26 -0.79 116.67 113.47 1wa4 s ASP 105 Ca 0.05 -0.18 0.26 0.00 -3.30 0.00 0.00 52.55 49.39 1wa4 s ASP 105 Cb -0.12 0.43 0.67 0.00 -1.09 0.00 0.00 42.92 42.81 1wa4 s ASP 105 CO -0.01 -0.74 1.73 1.56 0.70 0.00 0.00 175.17 178.41 1wa4 h GLN 106 N 2.00 0.00 0.10 2.11 1.08 -1.86 -2.71 115.11 115.83 1wa4 h GLN 106 Ca -0.23 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.70 1wa4 h GLN 106 Cb 1.24 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.68 1wa4 h GLN 106 CO 0.29 0.03 -1.18 0.37 -0.95 0.00 0.00 178.83 177.39 1wa4 h GLN 107 N 0.00 0.41 -2.16 1.46 5.75 -1.97 -3.39 115.11 115.22 1wa4 h GLN 107 Ca -0.00 -0.58 -0.58 0.00 -0.15 0.00 0.00 58.65 57.34 1wa4 h GLN 107 Cb 0.86 0.20 -0.40 0.00 1.07 0.00 0.00 27.48 29.20 1wa4 h GLN 107 CO 0.00 1.24 -0.89 -0.25 -2.65 0.00 0.00 178.83 176.28 1wa4 n ASP 108 N -3.67 1.51 -4.73 -0.69 8.00 -1.20 -5.05 116.55 110.72 1wa4 n ASP 108 Ca -0.10 -2.95 -0.37 0.00 0.71 0.00 0.00 54.79 52.09 1wa4 n ASP 108 Cb 0.97 -0.65 0.07 0.00 -0.02 0.00 0.00 41.12 41.48 1wa4 n ASP 108 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1wa4 s PRO 109 N -1.53 2.57 0.03 -0.24 0.02 -1.03 -4.43 135.00 130.39 1wa4 s PRO 109 Ca 0.36 2.01 0.02 0.00 0.02 0.00 0.00 61.00 63.41 1wa4 s PRO 109 Cb 0.14 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.79 1wa4 s PRO 109 CO -0.09 -1.57 -0.08 1.03 -0.33 0.00 0.00 177.00 175.96 1wa4 s ARG 110 N -3.42 0.53 0.08 5.54 0.52 -1.26 -4.16 118.95 116.77 1wa4 s ARG 110 Ca 0.81 -0.63 0.09 0.00 -0.52 0.00 0.00 55.73 55.47 1wa4 s ARG 110 Cb -0.36 -0.36 -0.03 0.00 0.52 0.00 0.00 34.95 34.71 1wa4 s ARG 110 CO 0.39 0.08 -0.21 0.00 0.02 0.00 0.00 175.30 175.58 1wa4 s ALA 111 N -1.07 2.52 -0.14 2.13 0.00 -0.18 -3.31 121.76 121.70 1wa4 s ALA 111 Ca -0.07 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.61 1wa4 s ALA 111 Cb -0.08 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.45 1wa4 s ALA 111 CO 0.00 0.57 -0.19 0.08 0.00 0.00 0.00 175.76 176.22 1wa4 s VAL 112 N -0.98 1.85 -0.20 0.00 1.01 0.12 -0.82 120.40 121.37 1wa4 s VAL 112 Ca 0.15 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 61.01 1wa4 s VAL 112 Cb -0.10 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1wa4 s VAL 112 CO 0.06 0.51 1.00 -0.47 0.00 0.00 0.00 175.10 176.20 1wa4 s TYR 113 N 1.09 3.37 -0.37 5.22 6.14 0.38 -1.35 117.35 131.83 1wa4 s TYR 113 Ca -0.02 1.44 -0.11 0.00 0.64 0.00 0.00 57.07 59.02 1wa4 s TYR 113 Cb -0.14 -3.21 0.03 0.00 0.42 0.00 0.00 41.96 39.05 1wa4 s TYR 113 CO -0.06 -0.41 0.21 -0.51 0.64 0.00 0.00 175.55 175.42 1wa4 s LEU 114 N 2.87 4.73 0.87 6.97 1.43 0.74 -2.97 118.68 133.31 1wa4 s LEU 114 Ca 0.43 -0.98 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 1wa4 s LEU 114 Cb -0.16 -2.03 0.09 0.00 0.03 0.00 0.00 46.19 44.12 1wa4 s LEU 114 CO 0.09 -0.38 0.98 -2.65 0.23 0.00 0.00 176.35 174.61 1wa4 n PRO 115 N 5.00 -0.13 -1.56 1.29 -0.02 -1.26 -1.63 135.00 136.70 1wa4 n PRO 115 Ca -0.12 0.03 -0.51 0.00 -2.02 0.00 0.00 63.50 60.88 1wa4 n PRO 115 Cb 0.46 -2.26 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 1wa4 n PRO 115 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1wa4 n VAL 116 N -3.62 0.62 0.00 -1.45 0.31 -1.25 -2.88 118.33 110.05 1wa4 n VAL 116 Ca 0.11 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1wa4 n VAL 116 Cb 0.51 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 1wa4 n VAL 116 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wa4 n GLY 117 N 2.06 2.03 3.86 2.92 0.00 -1.26 -4.76 105.19 110.05 1wa4 n GLY 117 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1wa4 n GLY 117 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wa4 s VAL 118 N -2.36 4.69 0.28 1.61 -7.23 -1.14 -4.14 120.40 112.11 1wa4 s VAL 118 Ca 0.00 0.85 -0.04 0.00 -1.81 0.00 0.00 61.98 60.98 1wa4 s VAL 118 Cb 0.00 -3.71 -0.05 0.00 0.56 0.00 0.00 36.38 33.19 1wa4 s VAL 118 CO 0.00 -0.51 0.53 -0.83 -0.31 0.00 0.00 175.10 173.98 1wa4 s GLY 119 N -2.97 1.79 -0.03 2.32 0.00 0.16 -4.73 107.32 103.87 1wa4 s GLY 119 Ca 0.54 -0.64 0.03 0.00 0.00 0.00 0.00 44.72 44.65 1wa4 s GLY 119 CO 0.29 -0.54 -0.11 -1.58 0.00 0.00 0.00 173.10 171.15 1wa4 s HIS 120 N -2.08 1.11 0.14 1.90 2.46 -0.89 -0.69 115.29 117.25 1wa4 s HIS 120 Ca 0.43 -0.28 -0.10 0.00 0.47 0.00 0.00 55.06 55.58 1wa4 s HIS 120 Cb -0.11 -0.77 -0.00 0.00 -0.13 0.00 0.00 32.58 31.57 1wa4 s HIS 120 CO 0.31 -0.10 0.28 0.00 -2.47 0.00 0.00 174.74 172.76 1wa4 s ALA 121 N 0.08 -0.15 0.08 1.58 0.00 -0.66 -0.43 121.76 122.28 1wa4 s ALA 121 Ca -0.02 -0.74 -0.26 0.00 0.00 0.00 0.00 51.96 50.94 1wa4 s ALA 121 Cb -0.08 0.76 0.08 0.00 0.00 0.00 0.00 23.12 23.88 1wa4 s ALA 121 CO 0.01 -0.62 0.76 -0.59 0.00 0.00 0.00 175.76 175.32 1wa4 s PHE 122 N -3.93 -0.41 -0.11 0.00 -0.71 -0.84 -1.18 117.98 110.80 1wa4 s PHE 122 Ca 0.13 0.22 0.02 0.00 -1.04 0.00 0.00 56.93 56.26 1wa4 s PHE 122 Cb 0.03 0.56 -0.01 0.00 -1.21 0.00 0.00 43.02 42.39 1wa4 s PHE 122 CO -0.03 -0.72 -0.18 0.54 -1.34 0.00 0.00 175.22 173.49 1wa4 s VAL 123 N -3.43 2.61 -0.15 -2.49 0.11 -0.64 -2.08 120.40 114.35 1wa4 s VAL 123 Ca 0.04 -0.82 -0.29 0.00 -2.93 0.00 0.00 61.98 57.97 1wa4 s VAL 123 Cb -0.01 -2.05 -0.00 0.00 -1.53 0.00 0.00 36.38 32.78 1wa4 s VAL 123 CO -0.10 0.54 1.01 0.00 -3.33 0.00 0.00 175.10 173.23 1wa4 s ALA 124 N 0.28 3.50 -0.87 1.54 0.00 -0.71 -1.33 121.76 124.16 1wa4 s ALA 124 Ca -0.13 0.31 0.24 0.00 0.00 0.00 0.00 51.96 52.38 1wa4 s ALA 124 Cb -0.16 -3.47 0.30 0.00 0.00 0.00 0.00 23.12 19.79 1wa4 s ALA 124 CO 0.07 -0.75 1.26 1.28 0.00 0.00 0.00 175.76 177.62 1wa4 n LEU 125 N 5.43 0.61 -4.05 0.00 4.77 0.78 -0.56 117.00 123.97 1wa4 n LEU 125 Ca 0.10 -0.03 -0.08 0.00 -0.03 0.00 0.00 56.01 55.96 1wa4 n LEU 125 Cb 0.48 -0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 41.28 1wa4 n LEU 125 CO 0.52 0.10 -0.36 -1.61 -1.33 0.00 0.00 177.39 174.71 1wa4 s GLU 126 N -3.06 0.51 0.68 3.23 2.02 -1.22 -4.82 118.70 116.04 1wa4 s GLU 126 Ca 0.09 -1.00 -0.17 0.00 0.02 0.00 0.00 54.97 53.91 1wa4 s GLU 126 Cb 0.16 0.15 0.01 0.00 0.10 0.00 0.00 34.13 34.55 1wa4 s GLU 126 CO 0.74 -0.08 1.23 -0.51 0.02 0.00 0.00 175.26 176.66 1wa4 s ASP 127 N -2.37 4.49 -1.14 -0.19 1.01 -1.26 -3.61 116.67 113.60 1wa4 s ASP 127 Ca -0.01 2.44 -0.02 0.00 0.71 0.00 0.00 52.55 55.66 1wa4 s ASP 127 Cb 0.01 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.34 1wa4 s ASP 127 CO -0.06 -2.07 0.30 0.47 0.21 0.00 0.00 175.17 174.02 1wa4 n ASP 128 N -2.28 -4.67 -4.64 0.27 8.00 -0.90 -4.79 116.55 107.54 1wa4 n ASP 128 Ca 0.14 -0.15 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1wa4 n ASP 128 Cb 0.49 -3.61 -0.04 0.00 -0.02 0.00 0.00 41.12 37.94 1wa4 n ASP 128 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1wa4 s THR 129 N -2.91 4.84 -0.16 -3.53 2.01 -0.84 -4.04 115.64 111.01 1wa4 s THR 129 Ca 0.15 1.57 -0.01 0.00 0.31 0.00 0.00 61.69 63.71 1wa4 s THR 129 Cb -0.07 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 1wa4 s THR 129 CO 0.19 -0.07 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.23 1wa4 s VAL 130 N 2.84 3.01 -0.16 3.82 1.01 -0.04 -0.82 120.40 130.07 1wa4 s VAL 130 Ca 0.35 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 1wa4 s VAL 130 Cb -0.15 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1wa4 s VAL 130 CO 0.07 0.50 -0.04 -0.36 0.00 0.00 0.00 175.10 175.28 1wa4 s PHE 131 N 0.71 3.01 -0.19 5.22 2.99 0.24 0.08 117.98 130.04 1wa4 s PHE 131 Ca -0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 56.93 56.53 1wa4 s PHE 131 Cb -0.15 -1.97 0.01 0.00 0.00 0.00 0.00 43.02 40.91 1wa4 s PHE 131 CO 0.02 -0.08 -0.16 0.45 -0.00 0.00 0.00 175.22 175.45 1wa4 s SER 132 N 0.45 3.41 0.11 1.36 0.15 -0.17 -1.24 113.70 117.77 1wa4 s SER 132 Ca -0.04 -0.59 0.10 0.00 0.70 0.00 0.00 55.95 56.13 1wa4 s SER 132 Cb -0.14 -1.54 -0.04 0.00 -1.71 0.00 0.00 66.02 62.59 1wa4 s SER 132 CO 0.03 -0.00 -0.25 -0.31 1.20 0.00 0.00 173.24 173.91 1wa4 s TYR 133 N 1.32 2.36 0.01 3.44 2.02 0.22 -1.36 117.35 125.37 1wa4 s TYR 133 Ca 0.05 -0.36 0.04 0.00 -0.37 0.00 0.00 57.07 56.43 1wa4 s TYR 133 Cb -0.13 -1.30 -0.03 0.00 -0.40 0.00 0.00 41.96 40.09 1wa4 s TYR 133 CO -0.10 0.30 -0.10 -1.64 -1.57 0.00 0.00 175.55 172.44 1wa4 s MET 134 N -1.89 2.43 0.05 -0.62 -1.94 -0.35 -1.19 119.30 115.78 1wa4 s MET 134 Ca 0.14 -0.79 0.03 0.00 -1.71 0.00 0.00 55.69 53.36 1wa4 s MET 134 Cb -0.10 -2.42 -0.03 0.00 2.01 0.00 0.00 34.83 34.30 1wa4 s MET 134 CO 0.06 0.59 -0.09 0.00 -0.01 0.00 0.00 175.02 175.56 1wa4 s ALA 135 N -0.97 0.72 -1.08 3.03 0.00 -0.33 -1.55 121.76 121.59 1wa4 s ALA 135 Ca 0.16 -0.82 0.28 0.00 0.00 0.00 0.00 51.96 51.58 1wa4 s ALA 135 Cb -0.11 0.01 1.24 0.00 0.00 0.00 0.00 23.12 24.26 1wa4 s ALA 135 CO 0.07 0.03 1.91 -1.13 0.00 0.00 0.00 175.76 176.64 1wa4 n SER 136 N 1.42 0.00 -3.84 0.00 3.41 -0.59 -1.73 113.62 112.28 1wa4 n SER 136 Ca -0.22 0.38 -0.12 0.00 -0.26 0.00 0.00 58.87 58.64 1wa4 n SER 136 Cb 0.54 -0.46 -0.13 0.00 -0.26 0.00 0.00 64.21 63.91 1wa4 n SER 136 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1wa4 s ARG 137 N -2.92 0.12 0.48 4.33 3.52 -1.26 -4.48 118.95 118.74 1wa4 s ARG 137 Ca 0.16 0.10 -0.23 0.00 -0.13 0.00 0.00 55.73 55.64 1wa4 s ARG 137 Cb 0.18 0.06 -0.07 0.00 -1.56 0.00 0.00 34.95 33.56 1wa4 s ARG 137 CO 0.49 -0.02 1.22 -1.12 -0.81 0.00 0.00 175.30 175.07 1wa4 s SER 138 N -0.01 5.91 -0.18 -2.12 0.01 -1.26 -4.56 113.70 111.50 1wa4 s SER 138 Ca -0.01 2.44 -0.29 0.00 1.31 0.00 0.00 55.95 59.40 1wa4 s SER 138 Cb -0.01 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 1wa4 s SER 138 CO 0.00 -1.10 1.42 -0.47 0.41 0.00 0.00 173.24 173.50 1wa4 s TYR 139 N -1.47 2.48 -0.20 2.43 6.14 -1.26 -5.04 117.35 120.43 1wa4 s TYR 139 Ca 0.66 0.72 0.01 0.00 0.64 0.00 0.00 57.07 59.10 1wa4 s TYR 139 Cb -0.32 -3.76 0.03 0.00 0.42 0.00 0.00 41.96 38.33 1wa4 s TYR 139 CO 0.39 -2.40 -0.16 0.08 0.64 0.00 0.00 175.55 174.09 1wa4 s VAL 140 N 4.13 2.02 0.35 3.14 1.01 -1.26 -5.00 120.40 124.79 1wa4 s VAL 140 Ca 0.62 -1.11 0.05 0.00 0.00 0.00 0.00 61.98 61.54 1wa4 s VAL 140 Cb -0.24 -1.93 0.29 0.00 0.00 0.00 0.00 36.38 34.50 1wa4 s VAL 140 CO 0.22 0.36 1.95 0.71 0.00 0.00 0.00 175.10 178.34 1wa4 h THR 141 N 6.20 1.03 0.00 3.92 1.35 -1.96 -2.44 112.91 121.02 1wa4 h THR 141 Ca -0.37 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1wa4 h THR 141 Cb 1.11 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1wa4 h THR 141 CO 0.57 0.15 0.00 1.67 -0.25 0.00 0.00 175.52 177.66 1wa4 n GLN 142 N -4.48 0.00 0.00 4.72 -0.06 -1.26 -2.41 117.38 113.89 1wa4 n GLN 142 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 1wa4 n GLN 142 Cb 0.22 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.40 1wa4 n GLN 142 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1wa4 n ASP 143 N 0.00 0.00 -4.51 1.69 8.00 -1.05 -4.68 116.55 116.01 1wa4 n ASP 143 Ca 0.00 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 1wa4 n ASP 143 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 1wa4 n ASP 143 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1wa4 s GLU 144 N -1.72 3.67 0.22 -1.24 2.56 -0.94 0.68 118.70 121.92 1wa4 s GLU 144 Ca 0.00 -0.50 0.09 0.00 0.00 0.00 0.00 54.97 54.57 1wa4 s GLU 144 Cb 0.00 -3.58 -0.05 0.00 2.00 0.00 0.00 34.13 32.51 1wa4 s GLU 144 CO 0.00 -0.27 -0.17 -0.51 -0.56 0.00 0.00 175.26 173.74 1wa4 s LEU 145 N 1.68 2.53 0.09 2.70 1.43 0.22 -4.92 118.68 122.42 1wa4 s LEU 145 Ca 0.06 -0.98 0.07 0.00 -1.03 0.00 0.00 54.13 52.26 1wa4 s LEU 145 Cb -0.16 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 1wa4 s LEU 145 CO 0.08 -0.06 -0.19 0.00 0.23 0.00 0.00 176.35 176.41 1wa4 s ALA 146 N -2.55 1.62 0.29 4.21 0.00 -1.26 -0.85 121.76 123.22 1wa4 s ALA 146 Ca 0.23 -1.17 0.07 0.00 0.00 0.00 0.00 51.96 51.10 1wa4 s ALA 146 Cb -0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 23.12 22.82 1wa4 s ALA 146 CO 0.09 0.31 -0.07 -0.51 0.00 0.00 0.00 175.76 175.59 1wa4 s LEU 147 N -1.82 2.51 -0.28 0.00 1.43 0.46 -4.34 118.68 116.64 1wa4 s LEU 147 Ca 0.04 -1.19 -0.29 0.00 -1.03 0.00 0.00 54.13 51.66 1wa4 s LEU 147 Cb -0.10 -0.69 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 1wa4 s LEU 147 CO 0.04 -0.32 1.37 -0.55 0.23 0.00 0.00 176.35 177.12 1wa4 s SER 148 N -3.46 6.62 0.35 2.29 0.15 -0.48 -1.39 113.70 117.78 1wa4 s SER 148 Ca 0.30 1.32 0.18 0.00 0.70 0.00 0.00 55.95 58.45 1wa4 s SER 148 Cb 0.03 -2.54 0.46 0.00 -1.71 0.00 0.00 66.02 62.27 1wa4 s SER 148 CO 0.12 -1.10 1.63 0.00 1.20 0.00 0.00 173.24 175.09 1wa4 h ALA 149 N 9.55 0.86 -0.08 5.45 0.00 -1.82 -3.19 119.26 130.03 1wa4 h ALA 149 Ca -0.28 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1wa4 h ALA 149 Cb 1.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1wa4 h ALA 149 CO 1.02 0.50 0.00 1.28 0.00 0.00 0.00 179.25 182.05 1wa4 n LEU 150 N -3.36 1.56 -4.65 0.00 4.32 -1.26 -4.64 117.00 108.97 1wa4 n LEU 150 Ca 0.01 -0.57 -0.58 0.00 -0.02 0.00 0.00 56.01 54.84 1wa4 n LEU 150 Cb 0.59 -0.04 -0.08 0.00 -1.62 0.00 0.00 43.42 42.27 1wa4 n LEU 150 CO 0.38 0.29 1.41 -0.67 -1.22 0.00 0.00 177.39 177.57 1wa4 n ASP 151 N 0.23 2.10 0.19 -1.43 4.64 -1.21 -4.89 116.55 116.18 1wa4 n ASP 151 Ca 0.18 0.97 0.07 0.00 -1.38 0.00 0.00 54.79 54.62 1wa4 n ASP 151 Cb 0.34 -1.11 0.57 0.00 -1.04 0.00 0.00 41.12 39.88 1wa4 n ASP 151 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1wa4 h PRO 152 N 7.81 0.14 -0.05 -0.67 0.11 -1.93 -1.71 132.00 135.69 1wa4 h PRO 152 Ca -0.41 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.71 1wa4 h PRO 152 Cb 1.33 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1wa4 h PRO 152 CO 0.98 0.12 0.06 0.00 -0.21 0.00 0.00 178.00 178.95 1wa4 h ALA 153 N 1.91 1.58 0.18 -0.75 0.00 -2.00 -3.11 119.26 117.06 1wa4 h ALA 153 Ca 0.04 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.59 1wa4 h ALA 153 Cb 0.03 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1wa4 h ALA 153 CO -0.00 -0.09 -1.79 -0.07 0.00 0.00 0.00 179.25 177.30 1wa4 h LEU 154 N 0.00 0.59 -1.29 0.00 3.38 -1.69 -3.49 115.31 112.82 1wa4 h LEU 154 Ca 0.02 -0.94 -0.42 0.00 0.09 0.00 0.00 57.88 56.63 1wa4 h LEU 154 Cb 0.15 -0.19 0.06 0.00 0.09 0.00 0.00 40.66 40.76 1wa4 h LEU 154 CO -0.00 1.80 -0.77 0.61 0.09 0.00 0.00 178.44 180.18 1wa4 n GLY 155 N 1.88 -0.43 3.78 0.83 0.00 -1.16 -4.94 105.19 105.15 1wa4 n GLY 155 Ca -0.26 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1wa4 n GLY 155 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wa4 s LEU 156 N -6.98 3.74 -1.35 0.99 1.43 -1.26 -4.91 118.68 110.34 1wa4 s LEU 156 Ca 0.36 2.11 -0.15 0.00 -1.03 0.00 0.00 54.13 55.42 1wa4 s LEU 156 Cb -0.17 -4.57 0.08 0.00 0.03 0.00 0.00 46.19 41.55 1wa4 s LEU 156 CO 0.79 -1.16 1.92 -0.81 0.23 0.00 0.00 176.35 177.32 1wa4 n PRO 157 N -1.31 3.13 0.00 1.29 -0.04 -1.26 -4.57 135.00 132.23 1wa4 n PRO 157 Ca 0.11 -3.10 0.00 0.00 -0.04 0.00 0.00 63.50 60.47 1wa4 n PRO 157 Cb 0.51 -3.31 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 1wa4 n PRO 157 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1wa4 n ILE 158 N 5.38 0.04 -3.69 0.52 -6.64 -1.26 -4.86 119.36 108.86 1wa4 n ILE 158 Ca 0.48 -0.46 -0.36 0.00 -1.77 0.00 0.00 62.75 60.65 1wa4 n ILE 158 Cb 0.42 1.10 -0.09 0.00 -1.44 0.00 0.00 39.64 39.63 1wa4 n ILE 158 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 1wa4 s ASP 159 N -0.04 6.18 -0.11 7.28 -1.08 -1.26 -4.91 116.67 122.73 1wa4 s ASP 159 Ca 0.00 0.19 0.15 0.00 -0.52 0.00 0.00 52.55 52.37 1wa4 s ASP 159 Cb 0.00 -2.10 0.26 0.00 -1.46 0.00 0.00 42.92 39.62 1wa4 s ASP 159 CO 0.00 0.12 1.15 2.30 0.52 0.00 0.00 175.17 179.26 1wa4 n ILE 160 N 3.86 1.73 0.00 4.11 -5.35 -1.26 -4.99 119.36 117.46 1wa4 n ILE 160 Ca -0.15 -1.94 0.00 0.00 -0.27 0.00 0.00 62.75 60.39 1wa4 n ILE 160 Cb 0.52 -0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 1wa4 n ILE 160 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wa4 n GLY 161 N -1.10 3.10 3.70 3.28 0.00 -1.26 -5.08 105.19 107.83 1wa4 n GLY 161 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1wa4 n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wa4 s VAL 162 N -2.87 3.08 0.15 1.61 0.11 -1.26 -5.08 120.40 116.13 1wa4 s VAL 162 Ca 0.00 -1.79 -0.32 0.00 -2.93 0.00 0.00 61.98 56.94 1wa4 s VAL 162 Cb 0.00 -2.92 -0.11 0.00 -1.53 0.00 0.00 36.38 31.81 1wa4 s VAL 162 CO 0.00 -0.23 1.79 1.21 -3.33 0.00 0.00 175.10 174.54 1wa4 n GLU 163 N -1.06 2.75 -1.72 1.54 4.07 -1.26 -4.91 120.64 120.06 1wa4 n GLU 163 Ca -0.04 1.00 -0.42 0.00 -0.06 0.00 0.00 57.16 57.64 1wa4 n GLU 163 Cb 0.61 -2.87 0.00 0.00 -0.06 0.00 0.00 31.44 29.12 1wa4 n GLU 163 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1wa4 n PRO 164 N 5.01 2.19 -3.36 5.31 -0.02 -1.26 -4.92 135.00 137.95 1wa4 n PRO 164 Ca 0.17 0.77 -0.43 0.00 -2.02 0.00 0.00 63.50 61.99 1wa4 n PRO 164 Cb 0.36 -2.43 -0.09 0.00 -0.02 0.00 0.00 33.50 31.32 1wa4 n PRO 164 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wa4 s ILE 165 N -1.13 5.13 0.01 4.25 1.01 0.10 -4.93 121.20 125.63 1wa4 s ILE 165 Ca 0.57 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1wa4 s ILE 165 Cb -0.53 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 37.92 1wa4 s ILE 165 CO 0.61 -0.41 -0.06 -0.69 0.00 0.00 0.00 174.94 174.39 1wa4 s VAL 166 N 2.01 0.47 0.67 2.92 1.01 -1.26 -1.05 120.40 125.17 1wa4 s VAL 166 Ca 0.10 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 1wa4 s VAL 166 Cb -0.18 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.78 1wa4 s VAL 166 CO 0.12 0.02 1.23 -0.94 0.00 0.00 0.00 175.10 175.53 1wa4 s SER 167 N -0.44 4.58 0.25 3.32 1.04 -1.26 -4.83 113.70 116.36 1wa4 s SER 167 Ca -0.00 2.42 -0.04 0.00 0.48 0.00 0.00 55.95 58.81 1wa4 s SER 167 Cb -0.04 -2.60 0.42 0.00 0.10 0.00 0.00 66.02 63.90 1wa4 s SER 167 CO -0.00 -2.01 1.81 0.44 0.98 0.00 0.00 173.24 174.46 1wa4 h ASP 168 N 0.23 0.68 -0.23 7.02 3.32 -2.01 0.33 116.42 125.75 1wa4 h ASP 168 Ca -0.49 0.05 0.02 0.00 0.02 0.00 0.00 57.03 56.63 1wa4 h ASP 168 Cb 1.30 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.75 1wa4 h ASP 168 CO 0.52 0.38 0.08 -0.09 -1.72 0.00 0.00 179.24 178.40 1wa4 h ARG 169 N 0.79 0.18 -0.20 3.56 2.43 -1.98 -1.41 114.38 117.75 1wa4 h ARG 169 Ca 0.41 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.47 1wa4 h ARG 169 Cb 0.40 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1wa4 h ARG 169 CO -0.26 0.12 -0.31 -0.44 -1.51 0.00 0.00 179.97 177.57 1wa4 h ASP 170 N 0.19 0.41 -0.19 -3.80 3.32 -1.83 -2.70 116.42 111.81 1wa4 h ASP 170 Ca 0.10 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 1wa4 h ASP 170 Cb 0.07 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1wa4 h ASP 170 CO -0.11 0.71 -0.14 -0.09 -1.72 0.00 0.00 179.24 177.89 1wa4 h ARG 171 N 0.35 0.59 -0.53 3.56 2.43 -0.64 -3.11 114.38 117.03 1wa4 h ARG 171 Ca 0.05 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1wa4 h ARG 171 Cb 0.73 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1wa4 h ARG 171 CO 0.06 0.71 0.00 1.33 -1.51 0.00 0.00 179.97 180.56 1wa4 n VAL 172 N -4.18 0.69 -1.72 0.20 0.24 -0.56 -4.99 118.33 108.01 1wa4 n VAL 172 Ca 0.01 -0.83 -0.42 0.00 -2.04 0.00 0.00 64.34 61.05 1wa4 n VAL 172 Cb 0.35 0.77 -0.01 0.00 -1.47 0.00 0.00 33.84 33.48 1wa4 n VAL 172 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wa4 n ALA 173 N 1.54 1.63 -1.02 2.33 0.00 -1.03 -4.97 120.51 118.99 1wa4 n ALA 173 Ca 0.21 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.71 1wa4 n ALA 173 Cb 0.61 -2.31 0.13 0.00 0.00 0.00 0.00 19.45 17.88 1wa4 n ALA 173 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1wa4 s ILE 174 N -1.01 2.75 0.72 0.00 -4.36 -1.26 -3.98 121.20 114.06 1wa4 s ILE 174 Ca 0.56 0.24 -0.11 0.00 -0.26 0.00 0.00 60.65 61.08 1wa4 s ILE 174 Cb -0.54 -2.55 0.02 0.00 1.25 0.00 0.00 42.46 40.64 1wa4 s ILE 174 CO 0.62 -0.32 1.07 0.42 0.24 0.00 0.00 174.94 176.97 1wa4 s THR 175 N -2.80 3.77 0.23 8.37 -4.23 -1.26 -1.38 115.64 118.33 1wa4 s THR 175 Ca 0.64 0.57 -0.13 0.00 -1.18 0.00 0.00 61.69 61.59 1wa4 s THR 175 Cb -0.20 -3.35 0.28 0.00 1.34 0.00 0.00 72.50 70.58 1wa4 s THR 175 CO 0.57 -0.75 1.61 0.25 -0.54 0.00 0.00 174.62 175.76 1wa4 h LEU 176 N -0.80 -0.73 -0.30 4.79 5.85 -1.95 -0.45 115.31 121.74 1wa4 h LEU 176 Ca -0.45 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1wa4 h LEU 176 Cb 1.23 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 1wa4 h LEU 176 CO 0.58 -0.25 0.16 0.00 -0.34 0.00 0.00 178.44 178.60 1wa4 h ALA 177 N 1.67 0.38 -0.10 1.25 0.00 -1.99 -1.23 119.26 119.23 1wa4 h ALA 177 Ca 0.34 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1wa4 h ALA 177 Cb 0.54 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1wa4 h ALA 177 CO -0.75 -0.09 0.00 1.49 0.00 0.00 0.00 179.25 179.91 1wa4 h GLU 178 N 0.36 0.04 -0.95 0.00 4.57 -1.86 -1.84 114.58 114.90 1wa4 h GLU 178 Ca 0.10 -0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.42 1wa4 h GLU 178 Cb 0.07 -0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.56 1wa4 h GLU 178 CO -0.02 0.03 0.57 0.00 -1.18 0.00 0.00 179.01 178.41 1wa4 h ALA 179 N 1.08 1.47 -0.33 2.92 0.00 -0.91 -1.32 119.26 122.18 1wa4 h ALA 179 Ca 0.05 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1wa4 h ALA 179 Cb 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1wa4 h ALA 179 CO -0.08 0.08 -0.01 0.37 0.00 0.00 0.00 179.25 179.61 1wa4 h GLN 180 N 0.84 0.58 -0.40 0.00 4.15 -1.05 -0.29 115.11 118.94 1wa4 h GLN 180 Ca 0.50 -0.19 0.08 0.00 0.77 0.00 0.00 58.65 59.80 1wa4 h GLN 180 Cb 0.61 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.18 1wa4 h GLN 180 CO -0.31 0.72 -0.05 0.00 -1.93 0.00 0.00 178.83 177.26 1wa4 h ARG 181 N 0.38 0.05 0.00 1.69 3.08 -0.89 -2.05 114.38 116.65 1wa4 h ARG 181 Ca 0.09 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1wa4 h ARG 181 Cb 0.47 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1wa4 h ARG 181 CO 0.02 0.03 0.00 1.04 -1.07 0.00 0.00 179.97 179.99 1wa4 n GLN 182 N -5.25 0.80 -2.22 0.04 6.02 -0.54 -4.93 117.38 111.31 1wa4 n GLN 182 Ca 0.02 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.86 1wa4 n GLN 182 Cb 0.22 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.96 1wa4 n GLN 182 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wa4 n GLY 183 N 0.65 -0.09 0.10 1.08 0.00 -0.77 -4.92 105.19 101.23 1wa4 n GLY 183 Ca 0.19 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1wa4 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wa4 n LEU 184 N -2.23 0.69 -4.86 0.99 4.77 -0.18 -4.97 117.00 111.22 1wa4 n LEU 184 Ca -0.19 -0.09 -0.32 0.00 -0.03 0.00 0.00 56.01 55.39 1wa4 n LEU 184 Cb 0.63 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1wa4 n LEU 184 CO 0.22 0.15 0.36 -0.76 -1.33 0.00 0.00 177.39 176.03 1wa4 s LEU 185 N -2.77 4.08 0.57 2.23 1.43 -1.25 -4.91 118.68 118.06 1wa4 s LEU 185 Ca 0.17 1.17 -0.20 0.00 -1.03 0.00 0.00 54.13 54.24 1wa4 s LEU 185 Cb 0.18 -3.97 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 1wa4 s LEU 185 CO 0.61 -0.18 1.18 -2.65 0.23 0.00 0.00 176.35 175.54 1wa4 n PRO 186 N -0.37 1.29 -3.23 1.29 -0.02 -1.26 -4.84 135.00 127.87 1wa4 n PRO 186 Ca 0.03 0.48 -0.39 0.00 -2.02 0.00 0.00 63.50 61.60 1wa4 n PRO 186 Cb 0.53 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 1wa4 n PRO 186 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1wa4 s ASP 187 N -1.09 7.08 0.06 2.55 2.15 -1.26 -1.40 116.67 124.76 1wa4 s ASP 187 Ca 0.74 1.29 -0.22 0.00 0.43 0.00 0.00 52.55 54.79 1wa4 s ASP 187 Cb -0.42 -2.38 -0.14 0.00 -0.30 0.00 0.00 42.92 39.68 1wa4 s ASP 187 CO 0.47 0.23 1.55 0.22 -0.17 0.00 0.00 175.17 177.47 1wa4 h TYR 188 N 4.74 0.16 0.05 -5.34 3.20 -1.25 -1.56 116.97 116.97 1wa4 h TYR 188 Ca -0.48 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.37 1wa4 h TYR 188 Cb 1.21 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 39.43 1wa4 h TYR 188 CO 0.67 0.32 -0.05 1.15 -1.64 0.00 0.00 178.16 178.62 1wa4 h THR 189 N -0.05 0.89 -0.79 1.81 2.02 -1.93 -0.63 112.91 114.23 1wa4 h THR 189 Ca 0.03 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.24 1wa4 h THR 189 Cb 0.24 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 1wa4 h THR 189 CO 0.00 0.00 0.50 0.74 0.37 0.00 0.00 175.52 177.14 1wa4 h THR 190 N -0.11 1.13 -0.16 3.16 2.02 -1.96 -1.60 112.91 115.39 1wa4 h THR 190 Ca 0.00 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1wa4 h THR 190 Cb 0.10 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 1wa4 h THR 190 CO -0.01 0.18 0.07 0.28 0.37 0.00 0.00 175.52 176.41 1wa4 h SER 191 N 0.99 0.21 -0.96 4.18 0.02 -0.96 -1.24 113.55 115.79 1wa4 h SER 191 Ca 0.31 -0.14 0.05 0.00 -0.84 0.00 0.00 61.79 61.17 1wa4 h SER 191 Cb -0.00 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.42 1wa4 h SER 191 CO -0.11 0.29 0.62 1.56 -1.14 0.00 0.00 176.83 178.05 1wa4 h GLN 192 N 0.12 1.14 -0.34 3.45 1.08 -0.82 0.30 115.11 120.04 1wa4 h GLN 192 Ca 0.05 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1wa4 h GLN 192 Cb 0.14 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.30 1wa4 h GLN 192 CO -0.01 0.75 0.08 0.93 -0.95 0.00 0.00 178.83 179.64 1wa4 h GLU 193 N 1.17 0.55 -0.61 1.46 5.08 -0.78 -0.94 114.58 120.51 1wa4 h GLU 193 Ca 0.40 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1wa4 h GLU 193 Cb 0.07 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1wa4 h GLU 193 CO -0.14 0.60 0.25 0.82 -1.00 0.00 0.00 179.01 179.53 1wa4 h ILE 194 N 0.40 1.23 -0.78 3.13 2.04 -0.85 -2.66 117.51 120.02 1wa4 h ILE 194 Ca 0.11 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 1wa4 h ILE 194 Cb 0.30 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1wa4 h ILE 194 CO 0.00 0.28 0.28 -0.08 0.00 0.00 0.00 178.15 178.63 1wa4 h GLU 195 N 0.85 1.18 -0.39 2.37 4.81 -0.60 -0.44 114.58 122.37 1wa4 h GLU 195 Ca 0.20 -0.23 -0.11 0.00 -0.13 0.00 0.00 59.36 59.09 1wa4 h GLU 195 Cb 0.20 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1wa4 h GLU 195 CO -0.02 0.98 -0.19 0.00 -0.73 0.00 0.00 179.01 179.05 1wa4 h ARG 196 N 1.14 0.75 -0.46 1.92 3.08 -1.09 -1.77 114.38 117.96 1wa4 h ARG 196 Ca 0.26 -0.29 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1wa4 h ARG 196 Cb 0.26 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1wa4 h ARG 196 CO -0.02 0.89 -0.17 0.00 -1.07 0.00 0.00 179.97 179.60 1wa4 h ARG 197 N 0.66 0.88 -0.54 0.04 2.47 -1.08 -2.77 114.38 114.03 1wa4 h ARG 197 Ca 0.10 -0.34 -0.11 0.00 -1.26 0.00 0.00 59.98 58.37 1wa4 h ARG 197 Cb 0.69 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.94 1wa4 h ARG 197 CO 0.05 0.98 -0.09 -0.07 0.56 0.00 0.00 179.97 181.41 1wa4 h LEU 198 N 0.78 0.99 -3.57 3.04 3.38 -0.71 -3.15 115.31 116.07 1wa4 h LEU 198 Ca 0.11 -0.32 -0.29 0.00 0.09 0.00 0.00 57.88 57.47 1wa4 h LEU 198 Cb 0.70 -0.27 -0.18 0.00 0.09 0.00 0.00 40.66 41.01 1wa4 h LEU 198 CO 0.05 1.09 0.16 0.35 0.09 0.00 0.00 178.44 180.19 1wa4 n THR 199 N -4.15 2.78 -2.02 0.22 -2.24 -0.70 -4.18 114.28 103.99 1wa4 n THR 199 Ca 0.02 -2.48 -0.41 0.00 -2.27 0.00 0.00 64.05 58.90 1wa4 n THR 199 Cb 0.39 -0.37 -0.02 0.00 -2.10 0.00 0.00 70.33 68.22 1wa4 n THR 199 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wa4 s ALA 200 N -3.27 3.62 0.24 6.98 0.00 -1.05 -3.65 121.76 124.64 1wa4 s ALA 200 Ca 0.49 1.32 -0.30 0.00 0.00 0.00 0.00 51.96 53.47 1wa4 s ALA 200 Cb 0.43 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 19.90 1wa4 s ALA 200 CO 0.03 -0.74 1.47 0.08 0.00 0.00 0.00 175.76 176.60 1wa4 s VAL 201 N -0.02 2.61 0.21 0.00 1.01 -1.26 -4.62 120.40 118.32 1wa4 s VAL 201 Ca 0.59 0.50 -0.31 0.00 0.00 0.00 0.00 61.98 62.77 1wa4 s VAL 201 Cb -0.42 -3.32 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 1wa4 s VAL 201 CO 0.43 0.08 1.55 -2.84 0.00 0.00 0.00 175.10 174.32 1wa4 s PRO 202 N -0.22 4.21 -0.41 2.72 0.02 -1.26 -4.99 135.00 135.07 1wa4 s PRO 202 Ca 0.61 2.39 0.04 0.00 0.02 0.00 0.00 61.00 64.05 1wa4 s PRO 202 Cb -0.42 -3.12 0.11 0.00 0.02 0.00 0.00 34.50 31.09 1wa4 s PRO 202 CO 0.42 -0.57 0.14 0.08 -0.33 0.00 0.00 177.00 176.74 1wa4 s VAL 203 N 0.70 2.24 0.27 3.83 1.01 -1.26 -5.09 120.40 122.10 1wa4 s VAL 203 Ca 0.67 -2.65 0.01 0.00 0.00 0.00 0.00 61.98 60.00 1wa4 s VAL 203 Cb -0.44 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.33 1wa4 s VAL 203 CO 0.36 -0.69 0.05 -1.54 0.00 0.00 0.00 175.10 173.28 1wa4 n SER 204 N 3.84 2.55 0.00 3.32 3.41 -1.26 -5.35 113.62 120.13 1wa4 n SER 204 Ca 0.04 -2.11 0.15 0.00 -0.26 0.00 0.00 58.87 56.69 1wa4 n SER 204 Cb 0.38 0.14 0.89 0.00 -0.26 0.00 0.00 64.21 65.36 1wa4 n SER 204 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95