#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wa5 n GLN 8 N 0.00 0.00 0.00 0.54 1.13 -1.26 -4.74 117.38 113.05 1wa5 n GLN 8 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1wa5 n GLN 8 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1wa5 n GLN 8 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1wa5 n VAL 9 N -0.46 0.00 -4.41 5.09 0.31 -1.26 -5.03 118.33 112.58 1wa5 n VAL 9 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.09 1wa5 n VAL 9 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 1wa5 n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wa5 s GLN 10 N 0.00 1.49 0.00 5.55 -2.07 -1.26 -0.47 119.66 122.91 1wa5 s GLN 10 Ca 0.00 -1.58 0.01 0.00 -1.82 0.00 0.00 55.36 51.97 1wa5 s GLN 10 Cb 0.00 -1.65 -0.00 0.00 -1.09 0.00 0.00 33.01 30.27 1wa5 s GLN 10 CO 0.00 0.33 -0.03 -0.06 -1.32 0.00 0.00 175.29 174.21 1wa5 s PHE 11 N -2.11 0.31 -0.37 9.60 0.08 0.05 -4.96 117.98 120.58 1wa5 s PHE 11 Ca 0.22 -0.11 -0.25 0.00 0.12 0.00 0.00 56.93 56.92 1wa5 s PHE 11 Cb -0.06 -0.20 0.01 0.00 -0.57 0.00 0.00 43.02 42.21 1wa5 s PHE 11 CO 0.10 -0.02 0.88 0.21 -0.10 0.00 0.00 175.22 176.30 1wa5 s LYS 12 N -0.25 3.80 -0.17 0.44 2.20 -1.26 -0.63 119.74 123.87 1wa5 s LYS 12 Ca -0.00 0.48 -0.01 0.00 -0.36 0.00 0.00 55.97 56.08 1wa5 s LYS 12 Cb -0.02 -3.81 -0.00 0.00 -1.51 0.00 0.00 37.83 32.49 1wa5 s LYS 12 CO -0.00 -0.92 -0.13 -1.17 -0.36 0.00 0.00 175.35 172.76 1wa5 s LEU 13 N 3.36 2.56 -0.19 5.43 0.20 -0.59 -0.48 118.68 128.98 1wa5 s LEU 13 Ca 0.36 -0.46 -0.08 0.00 0.69 0.00 0.00 54.13 54.64 1wa5 s LEU 13 Cb -0.12 -1.60 -0.04 0.00 -0.43 0.00 0.00 46.19 43.99 1wa5 s LEU 13 CO 0.18 0.06 0.09 0.68 -0.29 0.00 0.00 176.35 177.07 1wa5 s VAL 14 N 0.97 5.02 -0.31 1.68 -7.23 -0.96 -0.28 120.40 119.29 1wa5 s VAL 14 Ca -0.02 0.05 -0.07 0.00 -1.81 0.00 0.00 61.98 60.13 1wa5 s VAL 14 Cb -0.15 -3.27 0.01 0.00 0.56 0.00 0.00 36.38 33.53 1wa5 s VAL 14 CO -0.02 0.46 0.10 -0.22 -0.31 0.00 0.00 175.10 175.11 1wa5 s LEU 15 N 0.34 4.03 0.28 1.32 2.96 -0.36 -1.53 118.68 125.72 1wa5 s LEU 15 Ca 0.05 -0.79 0.05 0.00 -0.22 0.00 0.00 54.13 53.23 1wa5 s LEU 15 Cb -0.12 -1.90 -0.06 0.00 0.50 0.00 0.00 46.19 44.61 1wa5 s LEU 15 CO -0.01 -0.23 -0.02 0.68 -1.32 0.00 0.00 176.35 175.45 1wa5 s VAL 16 N 1.50 1.41 0.00 1.68 -7.23 -0.55 -2.41 120.40 114.80 1wa5 s VAL 16 Ca 0.02 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.12 1wa5 s VAL 16 Cb -0.18 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.26 1wa5 s VAL 16 CO 0.03 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 1wa5 n GLY 17 N -0.57 3.42 3.47 2.32 0.00 -1.26 -0.17 105.19 112.40 1wa5 n GLY 17 Ca -0.05 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 1wa5 n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wa5 n ASP 18 N 0.00 -1.33 -4.77 1.61 9.92 -1.26 -3.95 116.55 116.77 1wa5 n ASP 18 Ca 0.00 0.45 -0.40 0.00 -0.53 0.00 0.00 54.79 54.31 1wa5 n ASP 18 Cb 0.00 -1.25 0.01 0.00 -0.64 0.00 0.00 41.12 39.23 1wa5 n ASP 18 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1wa5 s GLY 19 N -1.86 2.94 -0.04 0.44 0.00 -1.22 -2.93 107.32 104.65 1wa5 s GLY 19 Ca 0.62 1.53 0.00 0.00 0.00 0.00 0.00 44.72 46.87 1wa5 s GLY 19 CO 0.62 2.18 0.00 0.61 0.00 0.00 0.00 173.10 176.51 1wa5 n GLY 20 N 0.51 0.38 0.00 0.20 0.00 -1.26 -4.91 105.19 100.12 1wa5 n GLY 20 Ca 0.03 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1wa5 n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wa5 n THR 21 N -2.72 0.07 0.00 2.61 -2.24 -1.15 -4.91 114.28 105.94 1wa5 n THR 21 Ca -0.00 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1wa5 n THR 21 Cb 0.15 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 1wa5 n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wa5 n GLY 22 N 1.35 1.19 0.11 3.38 0.00 -1.26 -4.60 105.19 105.36 1wa5 n GLY 22 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1wa5 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wa5 h LYS 23 N 1.48 -0.08 -0.49 1.61 1.57 -1.91 0.44 116.57 119.20 1wa5 h LYS 23 Ca 0.00 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1wa5 h LYS 23 Cb 0.00 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1wa5 h LYS 23 CO 0.00 -0.05 -0.08 1.15 -0.57 0.00 0.00 179.45 179.89 1wa5 h THR 24 N -0.08 1.27 -0.58 -0.16 2.02 -1.96 -2.02 112.91 111.41 1wa5 h THR 24 Ca 0.05 -1.21 0.03 0.00 0.77 0.00 0.00 66.41 66.05 1wa5 h THR 24 Cb 0.15 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 1wa5 h THR 24 CO -0.11 0.42 0.34 0.74 0.37 0.00 0.00 175.52 177.28 1wa5 h THR 25 N 0.77 1.05 -0.06 3.16 2.02 -1.87 0.47 112.91 118.45 1wa5 h THR 25 Ca 0.13 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 67.09 1wa5 h THR 25 Cb 0.63 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1wa5 h THR 25 CO 0.04 0.12 -0.01 0.15 0.37 0.00 0.00 175.52 176.19 1wa5 h PHE 26 N 0.67 -0.03 -0.44 3.16 3.57 -0.74 -0.35 116.94 122.78 1wa5 h PHE 26 Ca 0.24 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 1wa5 h PHE 26 Cb 0.04 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1wa5 h PHE 26 CO -0.06 -0.02 0.13 0.28 -2.23 0.00 0.00 178.31 176.41 1wa5 h VAL 27 N 0.00 1.22 -0.38 1.41 2.07 -1.00 -2.36 116.25 117.22 1wa5 h VAL 27 Ca 0.03 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 1wa5 h VAL 27 Cb 0.04 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1wa5 h VAL 27 CO -0.06 0.26 -0.02 0.11 0.02 0.00 0.00 177.57 177.88 1wa5 h LYS 28 N 0.57 0.61 -0.76 1.57 1.79 -0.72 0.32 116.57 119.95 1wa5 h LYS 28 Ca 0.14 -0.15 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1wa5 h LYS 28 Cb 0.27 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.81 1wa5 h LYS 28 CO -0.00 0.65 0.38 -0.09 -1.08 0.00 0.00 179.45 179.31 1wa5 h ARG 29 N 0.58 1.09 -0.27 3.15 2.43 -0.86 0.44 114.38 120.94 1wa5 h ARG 29 Ca 0.12 -0.15 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 1wa5 h ARG 29 Cb 0.40 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1wa5 h ARG 29 CO 0.02 0.84 -0.51 0.45 -1.51 0.00 0.00 179.97 179.26 1wa5 h HIS 30 N 1.07 0.95 0.10 2.20 3.86 -0.83 0.25 115.15 122.74 1wa5 h HIS 30 Ca 0.26 -0.32 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1wa5 h HIS 30 Cb 0.10 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1wa5 h HIS 30 CO 0.01 1.11 -0.05 1.25 0.86 0.00 0.00 177.93 181.11 1wa5 h LEU 31 N 0.60 -0.11 0.00 2.43 5.85 -0.62 -3.40 115.31 120.05 1wa5 h LEU 31 Ca 0.02 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 1wa5 h LEU 31 Cb 1.08 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 1wa5 h LEU 31 CO 0.11 0.36 -1.35 0.35 -0.34 0.00 0.00 178.44 177.57 1wa5 n THR 32 N -4.93 0.07 0.00 1.05 -2.24 0.12 -5.02 114.28 103.33 1wa5 n THR 32 Ca -0.09 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1wa5 n THR 32 Cb 0.25 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1wa5 n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wa5 n GLY 33 N 2.18 1.17 3.84 3.38 0.00 0.08 -5.03 105.19 110.81 1wa5 n GLY 33 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1wa5 n GLY 33 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wa5 s GLU 34 N -0.76 4.06 -0.22 1.61 2.12 -1.26 -4.89 118.70 119.36 1wa5 s GLU 34 Ca 0.00 0.94 -0.07 0.00 0.36 0.00 0.00 54.97 56.20 1wa5 s GLU 34 Cb 0.00 -2.22 -0.03 0.00 0.26 0.00 0.00 34.13 32.14 1wa5 s GLU 34 CO 0.00 -0.09 0.05 0.12 -0.54 0.00 0.00 175.26 174.80 1wa5 s PHE 35 N -2.33 3.10 -0.27 5.30 5.36 -1.26 -3.57 117.98 124.31 1wa5 s PHE 35 Ca 0.59 -0.33 -0.23 0.00 -0.96 0.00 0.00 56.93 56.01 1wa5 s PHE 35 Cb -0.10 -2.17 -0.01 0.00 -0.34 0.00 0.00 43.02 40.41 1wa5 s PHE 35 CO 0.22 -0.23 0.74 -2.00 -1.46 0.00 0.00 175.22 172.49 1wa5 s GLU 36 N 1.22 4.08 0.02 10.12 2.56 -1.26 -4.95 118.70 130.49 1wa5 s GLU 36 Ca 0.04 0.68 0.08 0.00 0.00 0.00 0.00 54.97 55.77 1wa5 s GLU 36 Cb -0.14 -3.67 -0.23 0.00 2.00 0.00 0.00 34.13 32.08 1wa5 s GLU 36 CO 0.03 -0.53 0.91 0.87 -0.56 0.00 0.00 175.26 175.98 1wa5 h LYS 37 N 7.90 0.04 -6.79 4.30 1.57 -2.02 -3.47 116.57 118.09 1wa5 h LYS 37 Ca -0.25 -0.06 -0.50 0.00 -1.87 0.00 0.00 60.65 57.97 1wa5 h LYS 37 Cb 1.10 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1wa5 h LYS 37 CO 0.84 0.77 0.08 0.15 -0.57 0.00 0.00 179.45 180.72 1wa5 s LYS 38 N -2.64 3.76 -0.40 3.15 1.02 -1.26 -5.05 119.74 118.32 1wa5 s LYS 38 Ca -0.03 0.41 -0.12 0.00 0.02 0.00 0.00 55.97 56.24 1wa5 s LYS 38 Cb 0.09 -2.43 0.03 0.00 -0.52 0.00 0.00 37.83 35.00 1wa5 s LYS 38 CO 0.83 0.00 0.25 -0.47 -0.92 0.00 0.00 175.35 175.04 1wa5 s TYR 39 N -2.33 3.25 -0.35 3.18 5.04 -1.26 -5.02 117.35 119.87 1wa5 s TYR 39 Ca 0.50 -0.91 0.03 0.00 -2.44 0.00 0.00 57.07 54.25 1wa5 s TYR 39 Cb -0.10 -2.57 0.10 0.00 0.35 0.00 0.00 41.96 39.74 1wa5 s TYR 39 CO 0.31 -0.66 0.07 0.08 -1.34 0.00 0.00 175.55 174.01 1wa5 s VAL 40 N 1.58 2.06 0.22 3.14 1.01 -1.26 -5.10 120.40 122.06 1wa5 s VAL 40 Ca 0.03 -2.25 -0.30 0.00 0.00 0.00 0.00 61.98 59.46 1wa5 s VAL 40 Cb -0.20 -2.52 -0.15 0.00 0.00 0.00 0.00 36.38 33.51 1wa5 s VAL 40 CO 0.07 -0.63 1.01 0.00 0.00 0.00 0.00 175.10 175.56 1wa5 n ALA 41 N 4.28 -0.86 -1.77 5.51 0.00 -1.26 -4.93 120.51 121.47 1wa5 n ALA 41 Ca 0.03 0.43 -0.38 0.00 0.00 0.00 0.00 53.44 53.52 1wa5 n ALA 41 Cb 0.41 -1.96 -0.06 0.00 0.00 0.00 0.00 19.45 17.84 1wa5 n ALA 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wa5 s THR 42 N -0.67 4.04 -0.49 0.00 2.01 -1.26 -5.01 115.64 114.25 1wa5 s THR 42 Ca 0.66 1.80 -0.13 0.00 0.31 0.00 0.00 61.69 64.33 1wa5 s THR 42 Cb -0.80 -4.05 0.11 0.00 0.01 0.00 0.00 72.50 67.77 1wa5 s THR 42 CO 0.56 0.24 0.40 -0.76 -0.69 0.00 0.00 174.62 174.37 1wa5 s LEU 43 N -1.84 5.80 0.00 4.42 1.43 -1.26 -4.56 118.68 122.66 1wa5 s LEU 43 Ca 0.48 -1.71 0.00 0.00 -1.03 0.00 0.00 54.13 51.87 1wa5 s LEU 43 Cb -0.22 -2.11 0.00 0.00 0.03 0.00 0.00 46.19 43.89 1wa5 s LEU 43 CO 0.28 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 176.74 1wa5 n GLY 44 N 5.09 1.85 3.31 -3.19 0.00 0.99 -4.75 105.19 108.47 1wa5 n GLY 44 Ca -0.11 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1wa5 n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wa5 s VAL 45 N 0.00 0.06 -0.07 1.61 0.11 -1.26 -0.10 120.40 120.75 1wa5 s VAL 45 Ca 0.00 -0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 58.53 1wa5 s VAL 45 Cb 0.00 -0.96 0.03 0.00 -1.53 0.00 0.00 36.38 33.91 1wa5 s VAL 45 CO 0.00 -0.29 -0.02 -1.61 -3.33 0.00 0.00 175.10 169.85 1wa5 s GLU 46 N -2.59 0.79 -0.27 1.54 2.02 -0.13 -4.98 118.70 115.08 1wa5 s GLU 46 Ca -0.05 0.00 -0.12 0.00 0.02 0.00 0.00 54.97 54.83 1wa5 s GLU 46 Cb -0.01 -1.02 -0.05 0.00 0.10 0.00 0.00 34.13 33.16 1wa5 s GLU 46 CO -0.03 -0.24 0.24 0.08 0.02 0.00 0.00 175.26 175.33 1wa5 s VAL 47 N 1.65 5.28 -0.11 2.63 1.01 -1.26 -0.20 120.40 129.40 1wa5 s VAL 47 Ca 0.01 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.31 1wa5 s VAL 47 Cb -0.13 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1wa5 s VAL 47 CO -0.04 0.24 -0.20 -1.00 0.00 0.00 0.00 175.10 174.10 1wa5 s HIS 48 N 1.75 2.32 -0.06 5.22 3.76 0.16 -4.94 115.29 123.51 1wa5 s HIS 48 Ca 0.10 -1.07 -0.22 0.00 -0.15 0.00 0.00 55.06 53.72 1wa5 s HIS 48 Cb -0.16 -1.60 -0.04 0.00 1.11 0.00 0.00 32.58 31.89 1wa5 s HIS 48 CO 0.10 -0.49 0.66 -1.25 -0.85 0.00 0.00 174.74 172.91 1wa5 s PRO 49 N 0.72 4.41 -0.16 8.40 0.04 -1.26 0.37 135.00 147.52 1wa5 s PRO 49 Ca -0.11 0.80 0.01 0.00 0.04 0.00 0.00 61.00 61.75 1wa5 s PRO 49 Cb -0.16 -3.43 0.01 0.00 0.04 0.00 0.00 34.50 30.96 1wa5 s PRO 49 CO 0.02 0.12 -0.19 -0.51 0.04 0.00 0.00 177.00 176.47 1wa5 s LEU 50 N 0.63 2.20 -0.13 -3.56 1.43 0.13 -4.95 118.68 114.43 1wa5 s LEU 50 Ca 0.35 -0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1wa5 s LEU 50 Cb -0.17 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1wa5 s LEU 50 CO 0.17 0.04 -0.02 -0.69 0.23 0.00 0.00 176.35 176.08 1wa5 s VAL 51 N 1.08 4.12 -0.05 -1.59 1.01 -1.26 -0.39 120.40 123.31 1wa5 s VAL 51 Ca -0.00 -0.30 0.06 0.00 0.00 0.00 0.00 61.98 61.74 1wa5 s VAL 51 Cb -0.14 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 1wa5 s VAL 51 CO -0.07 0.54 -0.25 -0.36 0.00 0.00 0.00 175.10 174.96 1wa5 s PHE 52 N -0.18 2.38 -0.42 5.22 0.40 0.44 -4.97 117.98 120.85 1wa5 s PHE 52 Ca 0.04 -0.68 -0.15 0.00 -0.60 0.00 0.00 56.93 55.54 1wa5 s PHE 52 Cb -0.13 -1.56 0.03 0.00 0.51 0.00 0.00 43.02 41.87 1wa5 s PHE 52 CO 0.02 -0.20 0.33 -1.01 0.70 0.00 0.00 175.22 175.07 1wa5 s HIS 53 N -0.20 3.23 0.49 0.36 3.76 -1.26 -0.29 115.29 121.38 1wa5 s HIS 53 Ca -0.02 -0.60 0.06 0.00 -0.15 0.00 0.00 55.06 54.35 1wa5 s HIS 53 Cb -0.13 -2.69 0.01 0.00 1.11 0.00 0.00 32.58 30.87 1wa5 s HIS 53 CO 0.03 -0.63 0.36 0.95 -0.85 0.00 0.00 174.74 174.60 1wa5 s THR 54 N 1.74 1.99 -1.79 1.30 -4.23 -0.40 -4.67 115.64 109.59 1wa5 s THR 54 Ca 0.06 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1wa5 s THR 54 Cb -0.19 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.16 1wa5 s THR 54 CO 0.10 0.00 0.77 -0.46 -0.54 0.00 0.00 174.62 174.49 1wa5 n ASN 55 N -1.63 0.18 -0.14 3.99 0.23 -0.76 -1.74 115.26 115.39 1wa5 n ASN 55 Ca -0.00 -1.72 0.01 0.00 -0.53 0.00 0.00 54.58 52.33 1wa5 n ASN 55 Cb 0.64 -0.09 0.01 0.00 -2.08 0.00 0.00 39.78 38.26 1wa5 n ASN 55 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1wa5 n ARG 56 N -0.38 0.66 0.00 -3.83 5.12 -1.26 -4.95 116.66 112.02 1wa5 n ARG 56 Ca 0.00 -1.03 0.00 0.00 -1.93 0.00 0.00 57.85 54.89 1wa5 n ARG 56 Cb 0.04 -0.69 0.00 0.00 -1.16 0.00 0.00 32.46 30.65 1wa5 n ARG 56 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wa5 n GLY 57 N -0.24 1.00 3.71 -0.13 0.00 -0.71 -4.99 105.19 103.83 1wa5 n GLY 57 Ca 0.02 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 1wa5 n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wa5 s PRO 58 N -1.30 4.45 -0.08 1.61 0.04 -1.26 -1.27 135.00 137.19 1wa5 s PRO 58 Ca 0.00 1.65 0.05 0.00 0.04 0.00 0.00 61.00 62.74 1wa5 s PRO 58 Cb 0.00 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 1wa5 s PRO 58 CO 0.00 -0.24 -0.24 0.42 0.04 0.00 0.00 177.00 176.98 1wa5 s ILE 59 N 1.30 2.14 -0.11 0.56 -1.09 0.60 -4.44 121.20 120.15 1wa5 s ILE 59 Ca 0.56 -1.02 0.01 0.00 -2.23 0.00 0.00 60.65 57.98 1wa5 s ILE 59 Cb -0.26 -1.80 -0.01 0.00 -1.58 0.00 0.00 42.46 38.81 1wa5 s ILE 59 CO 0.27 0.56 -0.16 -0.75 -1.23 0.00 0.00 174.94 173.64 1wa5 s LYS 60 N 0.04 3.19 -0.24 2.79 2.20 0.39 -0.42 119.74 127.69 1wa5 s LYS 60 Ca -0.10 -0.73 -0.04 0.00 -0.36 0.00 0.00 55.97 54.74 1wa5 s LYS 60 Cb -0.15 -2.52 -0.00 0.00 -1.51 0.00 0.00 37.83 33.65 1wa5 s LYS 60 CO 0.06 0.26 -0.02 -0.06 -0.36 0.00 0.00 175.35 175.23 1wa5 s PHE 61 N 0.21 3.01 -0.66 4.03 0.08 0.48 -0.77 117.98 124.36 1wa5 s PHE 61 Ca -0.10 -1.01 -0.21 0.00 0.12 0.00 0.00 56.93 55.73 1wa5 s PHE 61 Cb -0.16 -2.13 0.09 0.00 -0.57 0.00 0.00 43.02 40.25 1wa5 s PHE 61 CO 0.06 -0.57 0.90 -0.80 -0.10 0.00 0.00 175.22 174.71 1wa5 s ASN 62 N 1.47 6.21 -0.33 1.36 0.01 0.20 0.17 114.94 124.02 1wa5 s ASN 62 Ca 0.04 -1.21 -0.27 0.00 -0.71 0.00 0.00 52.86 50.72 1wa5 s ASN 62 Cb -0.15 -2.38 0.01 0.00 0.41 0.00 0.00 41.25 39.14 1wa5 s ASN 62 CO -0.02 -1.32 0.97 -0.69 -1.51 0.00 0.00 177.10 174.53 1wa5 s VAL 63 N 3.54 4.60 -0.67 1.60 1.01 0.16 -1.54 120.40 129.10 1wa5 s VAL 63 Ca 0.20 1.47 -0.19 0.00 0.00 0.00 0.00 61.98 63.46 1wa5 s VAL 63 Cb -0.18 -4.33 0.11 0.00 0.00 0.00 0.00 36.38 31.98 1wa5 s VAL 63 CO 0.07 -0.44 0.81 0.26 0.00 0.00 0.00 175.10 175.81 1wa5 s TRP 64 N 3.44 3.01 -0.72 5.22 0.52 0.61 0.40 118.94 131.43 1wa5 s TRP 64 Ca 0.40 -1.03 -0.25 0.00 0.02 0.00 0.00 56.10 55.24 1wa5 s TRP 64 Cb -0.13 -4.09 0.04 0.00 -1.15 0.00 0.00 33.47 28.15 1wa5 s TRP 64 CO 0.15 -1.36 1.17 0.34 0.02 0.00 0.00 176.95 177.27 1wa5 s ASP 65 N 3.53 6.17 0.48 2.95 2.15 0.72 -1.22 116.67 131.45 1wa5 s ASP 65 Ca 0.17 -0.65 -0.04 0.00 0.43 0.00 0.00 52.55 52.46 1wa5 s ASP 65 Cb -0.19 -2.51 -0.02 0.00 -0.30 0.00 0.00 42.92 39.89 1wa5 s ASP 65 CO 0.04 -1.70 0.76 0.42 -0.17 0.00 0.00 175.17 174.52 1wa5 s THR 66 N 5.15 4.56 0.10 1.71 -4.23 -1.01 -0.96 115.64 120.96 1wa5 s THR 66 Ca 0.31 -0.03 -0.30 0.00 -1.18 0.00 0.00 61.69 60.49 1wa5 s THR 66 Cb -0.11 -3.73 -0.06 0.00 1.34 0.00 0.00 72.50 69.95 1wa5 s THR 66 CO 0.13 -0.66 0.99 0.00 -0.54 0.00 0.00 174.62 174.54 1wa5 s ALA 67 N -2.71 3.25 -0.19 3.99 0.00 0.85 -4.88 121.76 122.08 1wa5 s ALA 67 Ca 0.48 0.61 0.22 0.00 0.00 0.00 0.00 51.96 53.26 1wa5 s ALA 67 Cb -0.10 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 1wa5 s ALA 67 CO 0.43 -0.09 0.91 0.41 0.00 0.00 0.00 175.76 177.41 1wa5 n GLY 68 N 2.36 -1.35 3.67 0.00 0.00 -1.25 -4.66 105.19 103.96 1wa5 n GLY 68 Ca 0.03 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 1wa5 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wa5 s GLN 69 N -3.33 4.30 0.18 1.61 -1.52 -1.26 -3.44 119.66 116.20 1wa5 s GLN 69 Ca -0.02 1.62 -0.22 0.00 -1.95 0.00 0.00 55.36 54.79 1wa5 s GLN 69 Cb 0.10 -3.65 0.09 0.00 -0.22 0.00 0.00 33.01 29.34 1wa5 s GLN 69 CO 0.81 -0.56 1.59 1.49 -0.25 0.00 0.00 175.29 178.37 1wa5 h GLU 70 N 7.73 -0.20 -0.29 2.91 4.22 -1.99 -0.07 114.58 126.89 1wa5 h GLU 70 Ca -0.30 0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.24 1wa5 h GLU 70 Cb 1.13 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1wa5 h GLU 70 CO 0.92 -0.13 0.30 0.87 -2.18 0.00 0.00 179.01 178.79 1wa5 h LYS 71 N -0.20 0.00 -0.46 1.92 1.57 -1.99 0.71 116.57 118.12 1wa5 h LYS 71 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1wa5 h LYS 71 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1wa5 h LYS 71 CO -0.63 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 179.44 1wa5 n PHE 72 N -3.86 0.76 -0.14 -1.35 3.72 -0.17 -4.70 117.46 111.72 1wa5 n PHE 72 Ca 0.04 -0.56 0.27 0.00 -0.05 0.00 0.00 57.45 57.16 1wa5 n PHE 72 Cb 0.45 -0.08 0.72 0.00 -0.94 0.00 0.00 39.48 39.63 1wa5 n PHE 72 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1wa5 h GLY 73 N 2.74 0.00 0.00 1.37 0.00 0.49 0.28 103.07 107.95 1wa5 h GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wa5 h GLY 73 CO 0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.21 1wa5 n GLY 74 N -1.68 3.09 0.13 4.60 0.00 -1.26 -1.44 105.19 108.63 1wa5 n GLY 74 Ca 0.17 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1wa5 n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wa5 n LEU 75 N 0.00 0.70 0.00 0.99 4.77 -1.26 -4.95 117.00 117.24 1wa5 n LEU 75 Ca 0.00 0.66 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1wa5 n LEU 75 Cb 0.00 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 1wa5 n LEU 75 CO 0.00 -0.53 0.00 0.54 -1.33 0.00 0.00 177.39 176.07 1wa5 n ARG 76 N -2.26 0.00 0.00 3.23 1.74 -0.52 -0.33 116.66 118.52 1wa5 n ARG 76 Ca 0.02 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.13 1wa5 n ARG 76 Cb 0.25 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 31.82 1wa5 n ARG 76 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1wa5 n ASP 77 N 4.30 0.00 0.28 0.55 5.75 -1.26 -0.92 116.55 125.26 1wa5 n ASP 77 Ca 0.00 0.17 0.16 0.00 -0.01 0.00 0.00 54.79 55.11 1wa5 n ASP 77 Cb 0.00 -0.25 0.82 0.00 -1.03 0.00 0.00 41.12 40.65 1wa5 n ASP 77 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1wa5 h GLY 78 N 0.83 0.00 2.00 6.12 0.00 -1.07 -1.27 103.07 109.68 1wa5 h GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1wa5 h GLY 78 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 176.54 175.57 1wa5 h TYR 79 N 0.00 0.00 0.00 5.60 0.05 -1.20 -3.31 116.97 118.11 1wa5 h TYR 79 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1wa5 h TYR 79 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 1wa5 h TYR 79 CO 0.00 0.00 0.00 0.66 -1.05 0.00 0.00 178.16 177.77 1wa5 n TYR 80 N -2.48 0.72 -1.66 4.88 4.01 -0.48 -4.83 117.16 117.31 1wa5 n TYR 80 Ca 0.03 0.21 -0.48 0.00 -0.16 0.00 0.00 57.90 57.50 1wa5 n TYR 80 Cb 0.33 -0.84 -0.05 0.00 -0.31 0.00 0.00 39.34 38.47 1wa5 n TYR 80 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1wa5 n ILE 81 N -2.09 0.11 -1.87 -0.72 5.41 -1.25 -1.69 119.36 117.25 1wa5 n ILE 81 Ca 0.06 -0.02 -0.19 0.00 1.00 0.00 0.00 62.75 63.59 1wa5 n ILE 81 Cb 0.41 -1.46 -0.06 0.00 -0.71 0.00 0.00 39.64 37.82 1wa5 n ILE 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wa5 n GLN 82 N 3.87 -1.43 -2.54 0.38 6.02 -1.26 -4.98 117.38 117.44 1wa5 n GLN 82 Ca 0.18 1.10 -0.38 0.00 -0.01 0.00 0.00 57.00 57.89 1wa5 n GLN 82 Cb 0.27 -5.52 -0.04 0.00 1.02 0.00 0.00 30.24 25.96 1wa5 n GLN 82 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wa5 s ALA 83 N -2.82 3.18 -0.73 -1.58 0.00 -0.68 -4.74 121.76 114.38 1wa5 s ALA 83 Ca 0.00 0.74 0.18 0.00 0.00 0.00 0.00 51.96 52.89 1wa5 s ALA 83 Cb 0.00 -3.28 -0.22 0.00 0.00 0.00 0.00 23.12 19.62 1wa5 s ALA 83 CO 0.00 -0.18 0.72 1.04 0.00 0.00 0.00 175.76 177.34 1wa5 n GLN 84 N 0.32 0.87 -3.80 0.00 6.02 0.37 -4.97 117.38 116.18 1wa5 n GLN 84 Ca 0.03 -0.03 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 1wa5 n GLN 84 Cb 0.48 -1.38 -0.01 0.00 1.02 0.00 0.00 30.24 30.35 1wa5 n GLN 84 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wa5 s ALA 86 N -3.45 -1.03 -0.08 0.00 0.00 -0.85 -2.27 121.76 114.08 1wa5 s ALA 86 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.02 1wa5 s ALA 86 Cb -0.03 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1wa5 s ALA 86 CO 0.04 -0.74 -0.04 0.42 0.00 0.00 0.00 175.76 175.44 1wa5 s ILE 87 N -3.83 0.68 -0.23 0.00 1.01 -0.58 -1.39 121.20 116.86 1wa5 s ILE 87 Ca 0.06 -0.11 -0.08 0.00 0.00 0.00 0.00 60.65 60.51 1wa5 s ILE 87 Cb -0.00 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1wa5 s ILE 87 CO -0.07 0.29 0.10 -0.63 0.00 0.00 0.00 174.94 174.63 1wa5 s ILE 88 N 1.53 4.76 0.12 2.92 1.01 0.04 -1.49 121.20 130.09 1wa5 s ILE 88 Ca -0.01 -0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.69 1wa5 s ILE 88 Cb -0.13 -3.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 1wa5 s ILE 88 CO -0.04 0.36 -0.09 -0.32 0.00 0.00 0.00 174.94 174.86 1wa5 s MET 89 N 1.16 2.15 0.22 2.79 1.75 0.76 -0.77 119.30 127.36 1wa5 s MET 89 Ca 0.05 -1.07 -0.04 0.00 -1.25 0.00 0.00 55.69 53.38 1wa5 s MET 89 Cb -0.14 -2.29 -0.03 0.00 2.84 0.00 0.00 34.83 35.21 1wa5 s MET 89 CO 0.04 0.49 0.25 -0.59 -0.65 0.00 0.00 175.02 174.56 1wa5 s PHE 90 N -1.36 0.95 -0.23 4.11 -0.12 -0.67 -4.01 117.98 116.65 1wa5 s PHE 90 Ca 0.23 -1.19 -0.04 0.00 -0.05 0.00 0.00 56.93 55.87 1wa5 s PHE 90 Cb -0.10 -0.33 -0.01 0.00 -0.63 0.00 0.00 43.02 41.95 1wa5 s PHE 90 CO 0.15 -0.77 -0.03 0.34 -0.05 0.00 0.00 175.22 174.86 1wa5 s ASP 91 N -3.13 4.43 0.43 1.98 -1.08 -1.26 -1.11 116.67 116.93 1wa5 s ASP 91 Ca 0.34 -0.40 0.30 0.00 -0.52 0.00 0.00 52.55 52.27 1wa5 s ASP 91 Cb 0.04 -1.76 1.56 0.00 -1.46 0.00 0.00 42.92 41.30 1wa5 s ASP 91 CO 0.12 -0.03 1.90 0.58 0.52 0.00 0.00 175.17 178.26 1wa5 h VAL 92 N 5.71 0.00 -0.12 1.11 2.07 -1.47 0.19 116.25 123.73 1wa5 h VAL 92 Ca -0.41 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1wa5 h VAL 92 Cb 1.16 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1wa5 h VAL 92 CO 0.60 0.00 0.00 0.35 0.02 0.00 0.00 177.57 178.54 1wa5 n THR 93 N -2.55 0.14 -3.78 2.57 -2.24 -1.26 -1.03 114.28 106.12 1wa5 n THR 93 Ca -0.02 -0.45 -0.30 0.00 -2.27 0.00 0.00 64.05 61.02 1wa5 n THR 93 Cb 0.07 0.90 -0.15 0.00 -2.10 0.00 0.00 70.33 69.06 1wa5 n THR 93 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1wa5 s SER 94 N -1.82 4.12 0.40 3.42 0.15 0.05 -4.62 113.70 115.40 1wa5 s SER 94 Ca 0.34 -1.81 0.16 0.00 0.70 0.00 0.00 55.95 55.33 1wa5 s SER 94 Cb 0.20 -1.01 1.02 0.00 -1.71 0.00 0.00 66.02 64.53 1wa5 s SER 94 CO 0.31 -0.40 1.84 -0.09 1.20 0.00 0.00 173.24 176.10 1wa5 h ARG 95 N 7.89 0.46 0.00 5.44 2.43 -1.85 -0.94 114.38 127.81 1wa5 h ARG 95 Ca -0.11 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1wa5 h ARG 95 Cb 1.01 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1wa5 h ARG 95 CO 0.48 0.30 -0.20 -0.24 -1.51 0.00 0.00 179.97 178.80 1wa5 h VAL 96 N 0.47 1.10 0.00 0.20 3.04 -1.94 -2.20 116.25 116.92 1wa5 h VAL 96 Ca 0.50 -0.71 -0.10 0.00 -1.01 0.00 0.00 66.70 65.38 1wa5 h VAL 96 Cb 1.14 1.39 -0.01 0.00 -2.01 0.00 0.00 31.29 31.80 1wa5 h VAL 96 CO -0.22 0.20 -0.49 0.71 -1.01 0.00 0.00 177.57 176.77 1wa5 h THR 97 N 0.00 1.34 0.03 3.17 1.35 -1.47 -2.32 112.91 115.01 1wa5 h THR 97 Ca -0.00 -1.67 -0.22 0.00 -0.55 0.00 0.00 66.41 63.96 1wa5 h THR 97 Cb 0.37 1.90 -0.02 0.00 -1.73 0.00 0.00 68.15 68.67 1wa5 h THR 97 CO 0.03 0.48 -1.04 0.22 -0.25 0.00 0.00 175.52 174.95 1wa5 h TYR 98 N 0.00 0.13 0.00 4.73 3.20 -1.52 -3.09 116.97 120.42 1wa5 h TYR 98 Ca -0.00 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 61.73 1wa5 h TYR 98 Cb 0.87 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1wa5 h TYR 98 CO 0.00 1.06 -0.20 -0.22 -1.64 0.00 0.00 178.16 177.15 1wa5 h LYS 99 N 0.02 0.00 0.00 1.82 3.64 -1.08 -2.09 116.57 118.88 1wa5 h LYS 99 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1wa5 h LYS 99 Cb 1.79 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 1wa5 h LYS 99 CO 0.15 0.20 -0.32 0.09 -2.27 0.00 0.00 179.45 177.29 1wa5 n ASN 100 N -3.58 0.43 -0.35 4.20 5.03 -0.90 -4.24 115.26 115.84 1wa5 n ASN 100 Ca -0.01 0.14 0.13 0.00 0.87 0.00 0.00 54.58 55.71 1wa5 n ASN 100 Cb 0.34 -0.11 0.33 0.00 -1.02 0.00 0.00 39.78 39.32 1wa5 n ASN 100 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1wa5 h VAL 101 N 0.00 0.70 -0.23 2.41 2.07 -1.30 -0.21 116.25 119.69 1wa5 h VAL 101 Ca 0.00 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1wa5 h VAL 101 Cb 0.58 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1wa5 h VAL 101 CO 0.00 0.14 -0.02 -0.65 0.02 0.00 0.00 177.57 177.06 1wa5 h PRO 102 N 0.76 0.34 -0.29 1.57 0.11 -1.78 -0.70 132.00 132.00 1wa5 h PRO 102 Ca 0.58 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.58 1wa5 h PRO 102 Cb 0.91 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1wa5 h PRO 102 CO -0.38 0.38 -0.00 -0.91 -0.21 0.00 0.00 178.00 176.88 1wa5 h ASN 103 N 0.33 0.51 -0.51 -2.05 2.35 -1.32 0.11 115.58 115.00 1wa5 h ASN 103 Ca 0.07 -0.31 -0.06 0.00 -0.55 0.00 0.00 56.30 55.45 1wa5 h ASN 103 Cb 0.26 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1wa5 h ASN 103 CO 0.01 0.69 0.08 -0.50 -1.65 0.00 0.00 177.43 176.06 1wa5 h TRP 104 N 0.31 0.90 -0.15 1.19 4.06 -1.18 -2.32 115.95 118.76 1wa5 h TRP 104 Ca 0.08 -0.13 -0.00 0.00 2.06 0.00 0.00 58.89 60.90 1wa5 h TRP 104 Cb 0.43 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 1wa5 h TRP 104 CO 0.04 0.82 0.07 1.25 -3.56 0.00 0.00 178.44 177.06 1wa5 h HIS 105 N 0.72 0.21 -0.22 0.49 2.76 -1.03 -2.02 115.15 116.06 1wa5 h HIS 105 Ca 0.15 -0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.37 1wa5 h HIS 105 Cb 0.40 -0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.24 1wa5 h HIS 105 CO 0.03 0.24 -0.13 -0.09 -1.30 0.00 0.00 177.93 176.68 1wa5 h ARG 106 N 0.12 -0.11 -0.57 5.26 2.43 -0.70 -0.97 114.38 119.83 1wa5 h ARG 106 Ca 0.05 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1wa5 h ARG 106 Cb 0.11 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 1wa5 h ARG 106 CO -0.01 -0.07 0.29 -0.44 -1.51 0.00 0.00 179.97 178.23 1wa5 h ASP 107 N -0.11 0.71 -0.19 -3.80 3.32 -1.32 -2.22 116.42 112.80 1wa5 h ASP 107 Ca 0.12 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1wa5 h ASP 107 Cb 0.30 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1wa5 h ASP 107 CO -0.29 0.59 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.73 1wa5 h LEU 108 N 0.80 0.35 -1.19 1.55 3.38 -0.69 -3.14 115.31 116.35 1wa5 h LEU 108 Ca 0.20 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1wa5 h LEU 108 Cb 0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1wa5 h LEU 108 CO -0.03 0.60 -0.32 -0.37 0.09 0.00 0.00 178.44 178.41 1wa5 h VAL 109 N 0.09 0.88 -0.16 1.22 -1.51 -1.00 0.25 116.25 116.02 1wa5 h VAL 109 Ca 0.05 -1.27 -0.06 0.00 -1.23 0.00 0.00 66.70 64.19 1wa5 h VAL 109 Cb 0.43 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.34 1wa5 h VAL 109 CO 0.01 0.31 -0.18 0.03 -1.23 0.00 0.00 177.57 176.51 1wa5 h ARG 110 N 0.00 0.27 0.06 5.19 3.08 -1.39 -3.22 114.38 118.37 1wa5 h ARG 110 Ca -0.00 -0.07 -0.31 0.00 0.07 0.00 0.00 59.98 59.66 1wa5 h ARG 110 Cb 0.74 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 1wa5 h ARG 110 CO 0.04 0.45 -1.71 0.28 -1.07 0.00 0.00 179.97 177.96 1wa5 n VAL 111 N -4.22 1.66 -3.82 2.04 0.31 -0.95 -4.83 118.33 108.52 1wa5 n VAL 111 Ca -0.01 -0.36 -0.36 0.00 -0.01 0.00 0.00 64.34 63.60 1wa5 n VAL 111 Cb 0.32 -1.87 -0.13 0.00 -0.91 0.00 0.00 33.84 31.24 1wa5 n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wa5 n GLU 113 N 4.83 0.00 -2.36 0.00 2.13 -1.26 -4.17 120.64 119.82 1wa5 n GLU 113 Ca -0.16 0.46 -0.15 0.00 0.66 0.00 0.00 57.16 57.97 1wa5 n GLU 113 Cb 0.49 -1.20 0.03 0.00 0.27 0.00 0.00 31.44 31.03 1wa5 n GLU 113 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1wa5 n ASN 114 N -1.46 3.62 -4.83 4.31 4.05 -1.26 -4.95 115.26 114.74 1wa5 n ASN 114 Ca 0.00 -3.12 -0.32 0.00 0.45 0.00 0.00 54.58 51.59 1wa5 n ASN 114 Cb 0.00 -0.41 -0.01 0.00 1.23 0.00 0.00 39.78 40.59 1wa5 n ASN 114 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1wa5 s ILE 115 N -4.34 4.23 0.20 -1.44 -4.36 -1.26 -5.00 121.20 109.23 1wa5 s ILE 115 Ca 0.42 1.06 -0.30 0.00 -0.26 0.00 0.00 60.65 61.57 1wa5 s ILE 115 Cb 0.38 -3.58 -0.08 0.00 1.25 0.00 0.00 42.46 40.43 1wa5 s ILE 115 CO -0.00 -0.62 1.15 -2.16 0.24 0.00 0.00 174.94 173.54 1wa5 s PRO 116 N -4.09 4.55 -0.03 0.37 0.04 -1.26 -4.94 135.00 129.64 1wa5 s PRO 116 Ca 0.61 1.81 0.02 0.00 0.04 0.00 0.00 61.00 63.47 1wa5 s PRO 116 Cb -0.12 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 31.18 1wa5 s PRO 116 CO 0.34 0.02 -0.07 0.42 0.04 0.00 0.00 177.00 177.75 1wa5 s ILE 117 N -0.32 0.64 -0.14 0.56 1.01 -1.26 -2.01 121.20 119.69 1wa5 s ILE 117 Ca 0.50 -0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 1wa5 s ILE 117 Cb -0.31 -0.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.53 1wa5 s ILE 117 CO 0.37 0.22 -0.06 -0.69 0.00 0.00 0.00 174.94 174.78 1wa5 s VAL 118 N 0.47 3.72 -0.27 2.92 1.01 -0.49 -2.34 120.40 125.43 1wa5 s VAL 118 Ca -0.07 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 1wa5 s VAL 118 Cb -0.11 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1wa5 s VAL 118 CO 0.00 0.52 0.20 -0.22 0.00 0.00 0.00 175.10 175.60 1wa5 s LEU 119 N 0.17 4.05 -0.17 3.92 2.96 0.13 -0.78 118.68 128.95 1wa5 s LEU 119 Ca -0.03 0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1wa5 s LEU 119 Cb -0.14 -2.14 -0.01 0.00 0.50 0.00 0.00 46.19 44.41 1wa5 s LEU 119 CO 0.03 -0.03 -0.12 0.00 -1.32 0.00 0.00 176.35 174.91 1wa5 s GLY 121 N 0.90 1.93 0.62 0.00 0.00 -0.20 -1.67 107.32 108.90 1wa5 s GLY 121 Ca -0.03 -2.21 -0.04 0.00 0.00 0.00 0.00 44.72 42.45 1wa5 s GLY 121 CO -0.01 1.33 0.90 0.21 0.00 0.00 0.00 173.10 175.54 1wa5 s ASN 122 N 3.22 5.16 -0.88 1.64 2.47 -0.26 -0.73 114.94 125.54 1wa5 s ASN 122 Ca 0.08 0.36 -0.04 0.00 0.42 0.00 0.00 52.86 53.68 1wa5 s ASN 122 Cb -0.25 -1.18 0.00 0.00 -1.45 0.00 0.00 41.25 38.37 1wa5 s ASN 122 CO 0.06 -1.31 0.51 0.29 -3.72 0.00 0.00 177.10 172.94 1wa5 n LYS 123 N -2.64 -3.74 0.00 0.43 5.02 -0.97 -1.24 118.16 115.02 1wa5 n LYS 123 Ca 0.07 0.53 0.10 0.00 -2.02 0.00 0.00 58.31 56.98 1wa5 n LYS 123 Cb 0.59 -4.60 0.53 0.00 -0.02 0.00 0.00 35.03 31.53 1wa5 n LYS 123 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1wa5 n VAL 124 N -4.01 0.28 1.18 -0.18 0.24 -1.15 -2.14 118.33 112.56 1wa5 n VAL 124 Ca -0.04 0.07 0.14 0.00 -2.04 0.00 0.00 64.34 62.48 1wa5 n VAL 124 Cb 0.56 -0.74 0.68 0.00 -1.47 0.00 0.00 33.84 32.86 1wa5 n VAL 124 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1wa5 n ASP 125 N -1.20 0.00 -4.77 -1.34 5.75 -1.26 -4.78 116.55 108.95 1wa5 n ASP 125 Ca 0.11 0.20 -0.38 0.00 -0.01 0.00 0.00 54.79 54.72 1wa5 n ASP 125 Cb 0.13 -0.40 -0.06 0.00 -1.03 0.00 0.00 41.12 39.76 1wa5 n ASP 125 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1wa5 s ILE 126 N -2.80 5.14 0.12 2.12 1.01 -0.91 -5.03 121.20 120.85 1wa5 s ILE 126 Ca 0.20 0.85 -0.23 0.00 0.00 0.00 0.00 60.65 61.47 1wa5 s ILE 126 Cb 0.19 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1wa5 s ILE 126 CO 0.49 0.44 1.67 0.50 0.00 0.00 0.00 174.94 178.03 1wa5 h LYS 127 N 5.92 -0.24 -5.09 2.79 1.63 -1.89 -3.36 116.57 116.33 1wa5 h LYS 127 Ca -0.45 0.02 -0.69 0.00 -0.85 0.00 0.00 60.65 58.68 1wa5 h LYS 127 Cb 1.19 0.05 -0.17 0.00 -0.60 0.00 0.00 32.23 32.71 1wa5 h LYS 127 CO 0.70 -0.16 0.97 0.16 -3.45 0.00 0.00 179.45 177.68 1wa5 s ASP 128 N -5.00 6.68 0.02 4.20 -4.77 -1.26 -4.96 116.67 111.57 1wa5 s ASP 128 Ca -0.15 -2.13 -0.30 0.00 -3.30 0.00 0.00 52.55 46.67 1wa5 s ASP 128 Cb 0.09 -2.42 -0.05 0.00 -1.09 0.00 0.00 42.92 39.46 1wa5 s ASP 128 CO 0.67 -1.06 1.17 -0.13 0.70 0.00 0.00 175.17 176.52 1wa5 s ARG 129 N 2.74 4.43 -0.18 2.11 0.52 -1.26 -4.62 118.95 122.68 1wa5 s ARG 129 Ca 0.35 1.70 0.10 0.00 -0.52 0.00 0.00 55.73 57.36 1wa5 s ARG 129 Cb -0.04 -3.42 -0.18 0.00 0.52 0.00 0.00 34.95 31.83 1wa5 s ARG 129 CO -0.08 -0.28 -0.04 1.63 0.02 0.00 0.00 175.30 176.55 1wa5 n LYS 130 N 4.25 0.98 -3.16 3.54 4.76 -0.20 -4.76 118.16 123.58 1wa5 n LYS 130 Ca 0.09 0.04 -0.46 0.00 -2.87 0.00 0.00 58.31 55.12 1wa5 n LYS 130 Cb 0.47 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 32.20 1wa5 n LYS 130 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1wa5 s VAL 131 N -2.41 5.16 0.71 -0.18 1.01 -0.57 -4.90 120.40 119.22 1wa5 s VAL 131 Ca -0.16 -1.85 -0.11 0.00 0.00 0.00 0.00 61.98 59.86 1wa5 s VAL 131 Cb 0.06 -4.56 0.02 0.00 0.00 0.00 0.00 36.38 31.89 1wa5 s VAL 131 CO 0.61 -1.19 1.08 -0.54 0.00 0.00 0.00 175.10 175.06 1wa5 s LYS 132 N 1.52 2.81 0.25 2.72 -0.14 -1.26 -4.88 119.74 120.77 1wa5 s LYS 132 Ca 0.20 0.60 -0.02 0.00 -1.36 0.00 0.00 55.97 55.39 1wa5 s LYS 132 Cb -0.12 -2.00 0.50 0.00 -1.68 0.00 0.00 37.83 34.52 1wa5 s LYS 132 CO -0.05 -1.10 1.75 0.00 -0.76 0.00 0.00 175.35 175.18 1wa5 h ALA 133 N -0.71 1.18 0.02 5.17 0.00 -1.96 -1.81 119.26 121.15 1wa5 h ALA 133 Ca -0.45 0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1wa5 h ALA 133 Cb 1.24 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 1wa5 h ALA 133 CO 0.62 -0.14 -0.38 -0.22 0.00 0.00 0.00 179.25 179.13 1wa5 h LYS 134 N 0.55 -0.53 -0.99 0.00 3.64 -2.01 -2.34 116.57 114.88 1wa5 h LYS 134 Ca 0.44 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 60.00 1wa5 h LYS 134 Cb 0.63 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.48 1wa5 h LYS 134 CO -0.38 -0.35 0.62 0.77 -2.27 0.00 0.00 179.45 177.84 1wa5 h SER 135 N -0.55 0.85 -2.25 4.20 0.02 -1.71 -3.39 113.55 110.72 1wa5 h SER 135 Ca 0.05 0.06 -0.53 0.00 -0.84 0.00 0.00 61.79 60.54 1wa5 h SER 135 Cb 0.62 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1wa5 h SER 135 CO -0.29 0.40 1.33 -0.63 -1.14 0.00 0.00 176.83 176.50 1wa5 s ILE 136 N -5.88 3.40 0.00 3.27 1.01 -0.88 -4.63 121.20 117.49 1wa5 s ILE 136 Ca -0.11 0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.85 1wa5 s ILE 136 Cb 0.23 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1wa5 s ILE 136 CO 0.80 -0.70 0.00 1.33 0.00 0.00 0.00 174.94 176.37 1wa5 n VAL 137 N 7.31 0.00 -0.14 2.92 0.24 -1.26 -4.87 118.33 122.52 1wa5 n VAL 137 Ca 0.22 0.00 0.14 0.00 -2.04 0.00 0.00 64.34 62.66 1wa5 n VAL 137 Cb 0.50 1.45 0.50 0.00 -1.47 0.00 0.00 33.84 34.82 1wa5 n VAL 137 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 1wa5 h PHE 138 N 0.00 0.49 0.00 6.34 3.57 -1.97 -0.18 116.94 125.18 1wa5 h PHE 138 Ca 0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1wa5 h PHE 138 Cb 0.28 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 1wa5 h PHE 138 CO 0.00 0.20 -0.06 1.12 -2.23 0.00 0.00 178.31 177.34 1wa5 h HIS 139 N 0.43 0.00 0.10 0.41 2.07 -1.89 -1.61 115.15 114.66 1wa5 h HIS 139 Ca 0.34 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.72 1wa5 h HIS 139 Cb 0.74 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.73 1wa5 h HIS 139 CO -0.00 0.06 -0.65 0.00 -3.07 0.00 0.00 177.93 174.27 1wa5 h ARG 140 N 0.00 0.20 0.00 5.12 2.47 -1.31 -0.00 114.38 120.86 1wa5 h ARG 140 Ca -0.00 -0.35 -0.00 0.00 -1.26 0.00 0.00 59.98 58.37 1wa5 h ARG 140 Cb 0.24 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.69 1wa5 h ARG 140 CO 0.01 1.17 -0.01 -0.22 0.56 0.00 0.00 179.97 181.47 1wa5 h LYS 141 N -0.56 0.00 0.00 0.04 3.64 -1.31 -3.18 116.57 115.20 1wa5 h LYS 141 Ca -0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1wa5 h LYS 141 Cb 1.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 1wa5 h LYS 141 CO 0.09 0.01 0.00 1.63 -2.27 0.00 0.00 179.45 178.91 1wa5 n LYS 142 N -3.13 0.91 -3.58 1.90 4.76 -0.64 -5.04 118.16 113.35 1wa5 n LYS 142 Ca -0.01 -0.89 -0.21 0.00 -2.87 0.00 0.00 58.31 54.34 1wa5 n LYS 142 Cb 0.21 -0.90 0.05 0.00 -1.84 0.00 0.00 35.03 32.55 1wa5 n LYS 142 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1wa5 n ASN 143 N -0.22 -2.64 -4.67 4.39 3.02 -0.14 -5.02 115.26 109.99 1wa5 n ASN 143 Ca 0.00 -0.79 -0.24 0.00 -0.03 0.00 0.00 54.58 53.52 1wa5 n ASN 143 Cb 0.18 -4.36 -0.07 0.00 -0.61 0.00 0.00 39.78 34.92 1wa5 n ASN 143 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wa5 s LEU 144 N -6.40 3.30 -0.01 3.41 1.43 -0.47 -4.91 118.68 115.04 1wa5 s LEU 144 Ca 0.13 -0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 52.50 1wa5 s LEU 144 Cb -0.03 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 1wa5 s LEU 144 CO 0.79 0.02 0.56 -1.58 0.23 0.00 0.00 176.35 176.37 1wa5 s GLN 145 N -3.48 4.26 -0.01 1.70 2.00 -0.99 -4.71 119.66 118.44 1wa5 s GLN 145 Ca 0.30 0.66 0.06 0.00 -2.00 0.00 0.00 55.36 54.39 1wa5 s GLN 145 Cb -0.07 -3.33 -0.03 0.00 0.80 0.00 0.00 33.01 30.38 1wa5 s GLN 145 CO 0.20 0.41 -0.18 -0.47 -0.50 0.00 0.00 175.29 174.75 1wa5 s TYR 146 N -0.30 2.57 -0.08 1.67 5.04 -1.26 0.18 117.35 125.16 1wa5 s TYR 146 Ca 0.29 -0.25 -0.07 0.00 -2.44 0.00 0.00 57.07 54.60 1wa5 s TYR 146 Cb -0.18 -1.54 0.03 0.00 0.35 0.00 0.00 41.96 40.62 1wa5 s TYR 146 CO 0.16 0.17 0.21 0.71 -1.34 0.00 0.00 175.55 175.46 1wa5 s TYR 147 N -0.79 -0.24 0.13 4.97 2.02 -0.58 -4.97 117.35 117.90 1wa5 s TYR 147 Ca 0.12 0.59 -0.28 0.00 -0.37 0.00 0.00 57.07 57.14 1wa5 s TYR 147 Cb -0.10 0.06 -0.07 0.00 -0.40 0.00 0.00 41.96 41.45 1wa5 s TYR 147 CO 0.02 -0.13 0.86 -0.51 -1.57 0.00 0.00 175.55 174.22 1wa5 s ASP 148 N 0.35 7.43 0.18 2.29 1.01 -1.26 -1.04 116.67 125.64 1wa5 s ASP 148 Ca -0.02 1.70 -0.04 0.00 0.71 0.00 0.00 52.55 54.90 1wa5 s ASP 148 Cb -0.03 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1wa5 s ASP 148 CO -0.01 0.07 0.19 0.27 0.21 0.00 0.00 175.17 175.89 1wa5 s ILE 149 N -0.54 0.04 -0.21 0.77 -4.36 0.09 -4.63 121.20 112.36 1wa5 s ILE 149 Ca 0.41 -1.77 -0.04 0.00 -0.26 0.00 0.00 60.65 58.99 1wa5 s ILE 149 Cb -0.23 -2.20 0.11 0.00 1.25 0.00 0.00 42.46 41.38 1wa5 s ILE 149 CO 0.28 -0.19 0.28 -0.55 0.24 0.00 0.00 174.94 175.00 1wa5 s SER 150 N -3.07 0.91 0.52 4.36 0.15 -0.99 -2.28 113.70 113.29 1wa5 s SER 150 Ca 0.28 -0.01 0.28 0.00 0.70 0.00 0.00 55.95 57.20 1wa5 s SER 150 Cb 0.05 0.66 1.40 0.00 -1.71 0.00 0.00 66.02 66.43 1wa5 s SER 150 CO 0.06 -0.31 2.04 0.00 1.20 0.00 0.00 173.24 176.23 1wa5 h ALA 151 N 8.26 1.20 0.10 5.45 0.00 -1.95 0.37 119.26 132.70 1wa5 h ALA 151 Ca -0.18 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1wa5 h ALA 151 Cb 1.15 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1wa5 h ALA 151 CO 0.27 0.16 -0.63 -0.22 0.00 0.00 0.00 179.25 178.82 1wa5 h LYS 152 N 0.00 0.22 -0.01 0.00 1.63 -1.96 -3.36 116.57 113.09 1wa5 h LYS 152 Ca -0.00 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 1wa5 h LYS 152 Cb 0.40 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 1wa5 h LYS 152 CO 0.02 1.18 -0.51 -1.13 -3.45 0.00 0.00 179.45 175.55 1wa5 n SER 153 N -4.25 1.30 -0.33 4.20 3.41 -1.18 -4.95 113.62 111.83 1wa5 n SER 153 Ca -0.13 -1.04 -0.04 0.00 -0.26 0.00 0.00 58.87 57.39 1wa5 n SER 153 Cb 0.74 0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 65.10 1wa5 n SER 153 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1wa5 n ASN 154 N -0.71 -4.11 -4.69 4.04 4.13 0.13 -4.97 115.26 109.07 1wa5 n ASN 154 Ca 0.09 0.11 -0.42 0.00 1.68 0.00 0.00 54.58 56.03 1wa5 n ASN 154 Cb 0.39 -1.99 -0.03 0.00 -1.54 0.00 0.00 39.78 36.61 1wa5 n ASN 154 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1wa5 s TYR 155 N -1.96 2.23 -1.81 3.10 5.04 -1.15 -1.78 117.35 121.02 1wa5 s TYR 155 Ca 0.00 0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.68 1wa5 s TYR 155 Cb 0.00 -4.14 0.00 0.00 0.35 0.00 0.00 41.96 38.17 1wa5 s TYR 155 CO 0.00 -4.67 0.00 0.09 -1.34 0.00 0.00 175.55 169.63 1wa5 n ASN 156 N 5.58 -4.55 -0.31 4.32 5.03 -1.26 -2.34 115.26 121.74 1wa5 n ASN 156 Ca 0.17 0.42 0.09 0.00 0.87 0.00 0.00 54.58 56.13 1wa5 n ASN 156 Cb 0.38 -4.08 0.19 0.00 -1.02 0.00 0.00 39.78 35.24 1wa5 n ASN 156 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 1wa5 n PHE 157 N -2.14 0.43 0.70 3.10 -0.00 -0.73 -1.85 117.46 116.98 1wa5 n PHE 157 Ca -0.17 1.05 0.11 0.00 -0.00 0.00 0.00 57.45 58.44 1wa5 n PHE 157 Cb 0.56 -1.07 -0.07 0.00 -0.00 0.00 0.00 39.48 38.90 1wa5 n PHE 157 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1wa5 n GLU 158 N -5.33 0.19 -0.30 -4.13 1.02 -1.26 -4.55 120.64 106.28 1wa5 n GLU 158 Ca 0.17 -0.04 0.14 0.00 -0.02 0.00 0.00 57.16 57.41 1wa5 n GLU 158 Cb 0.55 -1.53 0.31 0.00 -0.02 0.00 0.00 31.44 30.75 1wa5 n GLU 158 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1wa5 h LYS 159 N 0.00 0.27 -0.19 3.49 1.79 -1.76 -0.21 116.57 119.97 1wa5 h LYS 159 Ca 0.00 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1wa5 h LYS 159 Cb 0.65 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1wa5 h LYS 159 CO 0.00 0.18 0.11 -1.35 -1.08 0.00 0.00 179.45 177.31 1wa5 h PRO 160 N 0.28 0.26 -0.22 3.15 0.11 -1.80 -1.48 132.00 132.30 1wa5 h PRO 160 Ca 0.57 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.53 1wa5 h PRO 160 Cb 1.15 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1wa5 h PRO 160 CO -0.61 0.22 -0.38 0.74 -0.21 0.00 0.00 178.00 177.76 1wa5 h PHE 161 N 0.22 0.58 -0.22 0.65 0.04 -1.65 -2.23 116.94 114.34 1wa5 h PHE 161 Ca 0.07 -0.16 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 1wa5 h PHE 161 Cb 0.03 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 1wa5 h PHE 161 CO -0.05 0.81 0.08 1.25 -0.60 0.00 0.00 178.31 179.80 1wa5 h LEU 162 N 0.41 0.31 -0.33 1.54 5.85 -0.87 0.41 115.31 122.64 1wa5 h LEU 162 Ca 0.04 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1wa5 h LEU 162 Cb 0.86 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1wa5 h LEU 162 CO 0.07 0.40 0.16 -0.25 -0.34 0.00 0.00 178.44 178.48 1wa5 h TRP 163 N 0.20 0.47 -0.85 1.25 7.01 -1.25 -1.08 115.95 121.70 1wa5 h TRP 163 Ca 0.07 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 1wa5 h TRP 163 Cb 0.19 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.07 1wa5 h TRP 163 CO -0.01 0.41 0.49 -0.07 -2.79 0.00 0.00 178.44 176.47 1wa5 h LEU 164 N 0.39 1.05 -0.75 0.65 3.38 -1.29 -0.40 115.31 118.33 1wa5 h LEU 164 Ca 0.11 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1wa5 h LEU 164 Cb 0.12 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1wa5 h LEU 164 CO -0.01 0.83 0.31 0.00 0.09 0.00 0.00 178.44 179.65 1wa5 h ALA 165 N 1.26 0.97 -0.39 1.53 0.00 -0.57 0.26 119.26 122.32 1wa5 h ALA 165 Ca 0.30 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1wa5 h ALA 165 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1wa5 h ALA 165 CO -0.05 0.59 -0.20 0.00 0.00 0.00 0.00 179.25 179.59 1wa5 h ARG 166 N 1.07 0.82 -0.49 0.00 3.08 -0.90 0.12 114.38 118.09 1wa5 h ARG 166 Ca 0.25 -0.36 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 1wa5 h ARG 166 Cb 0.20 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1wa5 h ARG 166 CO -0.02 1.00 -0.13 -0.22 -1.07 0.00 0.00 179.97 179.53 1wa5 h LYS 167 N 0.63 0.92 -0.04 0.04 1.63 -0.85 0.59 116.57 119.49 1wa5 h LYS 167 Ca 0.09 -0.33 -0.20 0.00 -0.85 0.00 0.00 60.65 59.36 1wa5 h LYS 167 Cb 0.75 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 32.34 1wa5 h LYS 167 CO 0.06 0.99 -0.74 -0.07 -3.45 0.00 0.00 179.45 176.23 1wa5 h LEU 168 N 0.82 0.72 0.00 5.20 3.38 -0.36 -3.18 115.31 121.89 1wa5 h LEU 168 Ca 0.13 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1wa5 h LEU 168 Cb 0.66 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1wa5 h LEU 168 CO 0.05 1.33 -0.18 -0.38 0.09 0.00 0.00 178.44 179.35 1wa5 n ILE 169 N -4.07 0.28 -3.23 1.22 2.08 0.02 -4.93 119.36 110.72 1wa5 n ILE 169 Ca -0.10 -0.15 -0.18 0.00 0.56 0.00 0.00 62.75 62.88 1wa5 n ILE 169 Cb 0.73 -0.36 0.05 0.00 -0.75 0.00 0.00 39.64 39.31 1wa5 n ILE 169 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1wa5 n GLY 170 N 1.40 -0.22 2.71 7.39 0.00 0.19 -5.00 105.19 111.65 1wa5 n GLY 170 Ca 0.06 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1wa5 n GLY 170 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wa5 s ASP 171 N -3.13 3.50 0.64 1.61 -1.08 -0.04 -5.00 116.67 113.17 1wa5 s ASP 171 Ca 0.40 -1.25 0.41 0.00 -0.52 0.00 0.00 52.55 51.59 1wa5 s ASP 171 Cb -0.18 -0.68 2.18 0.00 -1.46 0.00 0.00 42.92 42.78 1wa5 s ASP 171 CO 0.50 -0.37 2.30 -0.65 0.52 0.00 0.00 175.17 177.46 1wa5 h PRO 172 N 8.20 0.00 -0.01 4.34 0.11 -1.95 -2.44 132.00 140.25 1wa5 h PRO 172 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1wa5 h PRO 172 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1wa5 h PRO 172 CO 0.41 0.01 -0.32 0.09 -0.21 0.00 0.00 178.00 177.98 1wa5 n ASN 173 N -3.20 1.00 -4.68 -2.05 4.13 -1.26 -4.94 115.26 104.26 1wa5 n ASN 173 Ca -0.02 -0.83 -0.45 0.00 1.68 0.00 0.00 54.58 54.96 1wa5 n ASN 173 Cb 0.11 0.19 -0.03 0.00 -1.54 0.00 0.00 39.78 38.52 1wa5 n ASN 173 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1wa5 n LEU 174 N -0.77 3.23 -4.20 3.41 7.94 -0.92 -4.99 117.00 120.71 1wa5 n LEU 174 Ca 0.11 1.14 -0.20 0.00 -1.11 0.00 0.00 56.01 55.95 1wa5 n LEU 174 Cb 0.35 -1.44 -0.12 0.00 0.53 0.00 0.00 43.42 42.74 1wa5 n LEU 174 CO 0.28 -0.40 -0.47 -1.61 -1.11 0.00 0.00 177.39 174.08 1wa5 s GLU 175 N -0.28 0.89 0.00 1.96 0.41 -1.26 -4.95 118.70 115.48 1wa5 s GLU 175 Ca 0.69 -1.01 0.28 0.00 -0.41 0.00 0.00 54.97 54.51 1wa5 s GLU 175 Cb -0.64 -0.95 0.99 0.00 -1.78 0.00 0.00 34.13 31.75 1wa5 s GLU 175 CO 0.48 0.21 1.71 1.19 -0.49 0.00 0.00 175.26 178.37