#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wj4 n THR 4 N 0.00 0.28 0.05 5.18 -1.04 -1.26 -3.91 114.28 113.58 2wj4 n THR 4 Ca 0.00 -0.32 0.03 0.00 -2.04 0.00 0.00 64.05 61.72 2wj4 n THR 4 Cb 0.00 0.18 0.05 0.00 -1.82 0.00 0.00 70.33 68.74 2wj4 n THR 4 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2wj4 n TYR 5 N 0.18 0.13 -3.04 -1.42 0.53 -1.26 -5.01 117.16 107.27 2wj4 n TYR 5 Ca 0.11 -0.28 -0.40 0.00 -1.02 0.00 0.00 57.90 56.31 2wj4 n TYR 5 Cb 0.23 -0.02 -0.05 0.00 -1.03 0.00 0.00 39.34 38.47 2wj4 n TYR 5 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 2wj4 s LEU 6 N -0.77 4.37 0.35 7.72 2.96 -1.25 -1.52 118.68 130.53 2wj4 s LEU 6 Ca 0.10 1.28 0.03 0.00 -0.22 0.00 0.00 54.13 55.32 2wj4 s LEU 6 Cb 0.06 -3.12 -0.04 0.00 0.50 0.00 0.00 46.19 43.58 2wj4 s LEU 6 CO 0.08 -0.05 0.12 -1.00 -1.32 0.00 0.00 176.35 174.18 2wj4 s HIS 7 N 0.41 1.76 -0.03 5.38 3.76 0.14 -4.98 115.29 121.73 2wj4 s HIS 7 Ca 0.37 -1.23 -0.04 0.00 -0.15 0.00 0.00 55.06 54.02 2wj4 s HIS 7 Cb -0.19 -1.08 0.01 0.00 1.11 0.00 0.00 32.58 32.43 2wj4 s HIS 7 CO 0.20 -0.30 0.10 -2.00 -0.85 0.00 0.00 174.74 171.89 2wj4 s GLU 8 N -3.80 0.18 0.04 1.40 2.12 -1.26 -1.28 118.70 116.10 2wj4 s GLU 8 Ca 0.31 0.02 -0.16 0.00 0.36 0.00 0.00 54.97 55.49 2wj4 s GLU 8 Cb 0.05 0.08 0.03 0.00 0.26 0.00 0.00 34.13 34.55 2wj4 s GLU 8 CO 0.16 -0.03 0.37 -0.08 -0.54 0.00 0.00 175.26 175.14 2wj4 s THR 9 N -0.25 0.07 0.01 -1.70 -1.32 -0.27 -4.97 115.64 107.21 2wj4 s THR 9 Ca -0.03 -0.54 -0.30 0.00 -1.21 0.00 0.00 61.69 59.61 2wj4 s THR 9 Cb -0.02 -0.94 -0.04 0.00 -1.51 0.00 0.00 72.50 69.99 2wj4 s THR 9 CO 0.00 -0.30 1.05 -0.22 -2.21 0.00 0.00 174.62 172.94 2wj4 s LEU 10 N -2.01 4.36 -0.27 9.08 2.96 -1.26 0.04 118.68 131.59 2wj4 s LEU 10 Ca -0.05 1.76 -0.01 0.00 -0.22 0.00 0.00 54.13 55.61 2wj4 s LEU 10 Cb -0.01 -3.57 0.08 0.00 0.50 0.00 0.00 46.19 43.19 2wj4 s LEU 10 CO -0.03 -0.33 0.06 -0.69 -1.32 0.00 0.00 176.35 174.04 2wj4 s VAL 11 N 1.08 0.90 0.00 1.68 1.01 0.23 -4.93 120.40 120.38 2wj4 s VAL 11 Ca 0.54 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2wj4 s VAL 11 Cb -0.23 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.61 2wj4 s VAL 11 CO 0.28 -0.46 0.00 0.49 0.00 0.00 0.00 175.10 175.40 2wj4 n PHE 12 N 4.86 0.00 0.90 5.22 3.72 -1.26 -1.72 117.46 129.19 2wj4 n PHE 12 Ca -0.05 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.47 2wj4 n PHE 12 Cb 0.44 0.00 0.30 0.00 -0.94 0.00 0.00 39.48 39.27 2wj4 n PHE 12 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2wj4 n ASP 13 N 7.62 0.46 -4.26 4.37 8.00 -1.26 -4.93 116.55 126.55 2wj4 n ASP 13 Ca 0.00 -0.03 -0.27 0.00 0.71 0.00 0.00 54.79 55.20 2wj4 n ASP 13 Cb 0.00 0.09 -0.14 0.00 -0.02 0.00 0.00 41.12 41.05 2wj4 n ASP 13 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2wj4 s ASN 14 N -3.28 2.57 -0.21 -2.24 -0.87 -0.70 -5.09 114.94 105.13 2wj4 s ASN 14 Ca 0.10 -0.50 -0.28 0.00 -1.57 0.00 0.00 52.86 50.61 2wj4 s ASN 14 Cb 0.17 -0.23 0.00 0.00 -0.02 0.00 0.00 41.25 41.17 2wj4 s ASN 14 CO 0.67 0.20 0.99 -0.54 -2.57 0.00 0.00 177.10 175.85 2wj4 s LYS 15 N -1.05 4.28 -0.06 -0.60 1.02 -1.26 0.76 119.74 122.83 2wj4 s LYS 15 Ca 0.08 1.28 0.04 0.00 0.02 0.00 0.00 55.97 57.40 2wj4 s LYS 15 Cb -0.09 -3.62 -0.02 0.00 -0.52 0.00 0.00 37.83 33.58 2wj4 s LYS 15 CO 0.01 -0.55 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.20 2wj4 s LEU 16 N 2.91 2.47 0.44 3.17 1.43 0.11 -4.88 118.68 124.32 2wj4 s LEU 16 Ca 0.43 -0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 53.14 2wj4 s LEU 16 Cb -0.16 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 2wj4 s LEU 16 CO 0.08 0.29 0.74 -0.94 0.23 0.00 0.00 176.35 176.75 2wj4 s SER 17 N -0.39 6.33 0.02 2.29 1.04 -1.26 -1.11 113.70 120.62 2wj4 s SER 17 Ca 0.04 0.91 -0.28 0.00 0.48 0.00 0.00 55.95 57.10 2wj4 s SER 17 Cb -0.12 -2.24 0.07 0.00 0.10 0.00 0.00 66.02 63.83 2wj4 s SER 17 CO 0.02 -0.48 0.65 -0.72 0.98 0.00 0.00 173.24 173.68 2wj4 s TYR 18 N -2.57 -0.61 0.08 5.02 1.13 -0.41 -1.42 117.35 118.57 2wj4 s TYR 18 Ca 0.47 0.84 -0.16 0.00 -1.41 0.00 0.00 57.07 56.81 2wj4 s TYR 18 Cb -0.10 0.46 -0.06 0.00 -1.10 0.00 0.00 41.96 41.15 2wj4 s TYR 18 CO 0.40 -0.69 0.52 0.42 -2.51 0.00 0.00 175.55 173.69 2wj4 s ILE 19 N -2.08 4.86 -0.28 -3.49 -1.09 0.68 0.28 121.20 120.08 2wj4 s ILE 19 Ca -0.07 0.98 -0.01 0.00 -2.23 0.00 0.00 60.65 59.32 2wj4 s ILE 19 Cb -0.00 -3.79 0.17 0.00 -1.58 0.00 0.00 42.46 37.26 2wj4 s ILE 19 CO 0.02 0.45 0.52 -0.62 -1.23 0.00 0.00 174.94 174.09 2wj4 s ASP 20 N -1.32 -0.84 0.00 3.58 2.15 -0.58 -0.98 116.67 118.68 2wj4 s ASP 20 Ca 0.31 0.58 0.20 0.00 0.43 0.00 0.00 52.55 54.06 2wj4 s ASP 20 Cb -0.17 1.80 0.90 0.00 -0.30 0.00 0.00 42.92 45.15 2wj4 s ASP 20 CO 0.18 -0.28 1.64 -0.46 -0.17 0.00 0.00 175.17 176.08 2wj4 n ASN 21 N 5.41 0.00 -2.37 -0.34 6.94 -1.02 -4.75 115.26 119.13 2wj4 n ASN 21 Ca -0.01 0.36 -0.13 0.00 -0.02 0.00 0.00 54.58 54.77 2wj4 n ASN 21 Cb 0.51 -0.44 -0.01 0.00 -2.36 0.00 0.00 39.78 37.48 2wj4 n ASN 21 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wj4 n GLN 22 N -1.44 -2.11 -1.82 -3.83 6.02 -1.26 -4.88 117.38 108.05 2wj4 n GLN 22 Ca 0.06 0.65 -0.42 0.00 -0.01 0.00 0.00 57.00 57.29 2wj4 n GLN 22 Cb 0.21 -5.24 -0.03 0.00 1.02 0.00 0.00 30.24 26.20 2wj4 n GLN 22 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2wj4 s ARG 23 N -4.92 4.17 -0.56 -1.09 6.06 -1.26 -4.93 118.95 116.41 2wj4 s ARG 23 Ca 0.00 2.47 -0.25 0.00 -2.50 0.00 0.00 55.73 55.46 2wj4 s ARG 23 Cb 0.00 -3.46 0.04 0.00 0.06 0.00 0.00 34.95 31.59 2wj4 s ARG 23 CO 0.00 -0.76 0.99 0.34 -2.50 0.00 0.00 175.30 173.37 2wj4 s ASP 24 N 2.18 6.35 0.36 -2.12 2.15 -1.26 -4.48 116.67 119.85 2wj4 s ASP 24 Ca 0.76 -0.30 -0.17 0.00 0.43 0.00 0.00 52.55 53.27 2wj4 s ASP 24 Cb -0.44 -2.46 0.05 0.00 -0.30 0.00 0.00 42.92 39.78 2wj4 s ASP 24 CO 0.34 -1.28 0.81 0.28 -0.17 0.00 0.00 175.17 175.14 2wj4 s THR 25 N 4.13 0.00 0.42 1.71 -1.32 -1.26 -5.07 115.64 114.25 2wj4 s THR 25 Ca 0.32 -0.96 -0.22 0.00 -1.21 0.00 0.00 61.69 59.61 2wj4 s THR 25 Cb -0.12 -2.82 -0.09 0.00 -1.51 0.00 0.00 72.50 67.96 2wj4 s THR 25 CO 0.20 0.00 1.01 -1.81 -2.21 0.00 0.00 174.62 171.80 2wj4 s ASP 26 N -3.09 6.77 1.11 8.08 1.01 -1.26 -4.96 116.67 124.33 2wj4 s ASP 26 Ca 0.16 1.89 -0.16 0.00 0.71 0.00 0.00 52.55 55.15 2wj4 s ASP 26 Cb -0.05 -2.57 0.24 0.00 1.01 0.00 0.00 42.92 41.56 2wj4 s ASP 26 CO 0.11 -0.48 1.09 -0.83 0.21 0.00 0.00 175.17 175.27 2wj4 s GLY 27 N -1.85 1.57 0.50 0.21 0.00 -1.26 -4.79 107.32 101.70 2wj4 s GLY 27 Ca 0.61 -0.65 -0.10 0.00 0.00 0.00 0.00 44.72 44.58 2wj4 s GLY 27 CO 0.21 0.11 0.87 2.56 0.00 0.00 0.00 173.10 176.85 2wj4 s PRO 28 N -5.15 3.67 0.37 2.90 0.04 -1.26 -4.78 135.00 130.79 2wj4 s PRO 28 Ca 0.68 0.52 -0.27 0.00 0.04 0.00 0.00 61.00 61.97 2wj4 s PRO 28 Cb -0.15 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 32.03 2wj4 s PRO 28 CO 0.57 -0.27 1.19 0.00 0.04 0.00 0.00 177.00 178.54 2wj4 s ALA 29 N -2.74 3.26 -0.32 8.56 0.00 -0.74 -4.66 121.76 125.12 2wj4 s ALA 29 Ca 0.52 1.02 -0.15 0.00 0.00 0.00 0.00 51.96 53.35 2wj4 s ALA 29 Cb -0.10 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 2wj4 s ALA 29 CO 0.42 -0.50 0.38 0.42 0.00 0.00 0.00 175.76 176.47 2wj4 s ILE 30 N -1.32 5.15 -0.42 0.00 1.01 0.39 -0.12 121.20 125.90 2wj4 s ILE 30 Ca 0.53 0.27 -0.10 0.00 0.00 0.00 0.00 60.65 61.35 2wj4 s ILE 30 Cb -0.33 -3.79 0.07 0.00 0.01 0.00 0.00 42.46 38.42 2wj4 s ILE 30 CO 0.42 -0.01 0.27 -0.22 0.00 0.00 0.00 174.94 175.39 2wj4 s LEU 31 N 2.08 5.13 -0.23 2.97 2.96 -0.61 -1.33 118.68 129.65 2wj4 s LEU 31 Ca 0.14 -1.37 -0.16 0.00 -0.22 0.00 0.00 54.13 52.51 2wj4 s LEU 31 Cb -0.16 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 2wj4 s LEU 31 CO 0.11 -0.52 0.44 -0.76 -1.32 0.00 0.00 176.35 174.30 2wj4 s LEU 32 N 1.48 4.10 -0.31 -0.68 1.43 0.02 -0.10 118.68 124.63 2wj4 s LEU 32 Ca 0.03 0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 53.57 2wj4 s LEU 32 Cb -0.22 -2.55 0.04 0.00 0.03 0.00 0.00 46.19 43.48 2wj4 s LEU 32 CO 0.04 -0.16 0.05 -0.76 0.23 0.00 0.00 176.35 175.75 2wj4 s LEU 33 N 1.75 3.99 0.65 1.79 1.43 0.08 -4.02 118.68 124.35 2wj4 s LEU 33 Ca 0.19 -1.08 -0.16 0.00 -1.03 0.00 0.00 54.13 52.05 2wj4 s LEU 33 Cb -0.15 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.26 2wj4 s LEU 33 CO 0.09 -0.26 1.16 -2.84 0.23 0.00 0.00 176.35 174.72 2wj4 s PRO 34 N 1.37 2.71 0.00 1.29 0.02 -1.26 -1.68 135.00 137.45 2wj4 s PRO 34 Ca -0.02 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.61 2wj4 s PRO 34 Cb -0.19 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.41 2wj4 s PRO 34 CO 0.01 -1.36 0.00 0.41 -0.33 0.00 0.00 177.00 175.73 2wj4 n GLY 35 N 0.02 -1.94 3.73 0.52 0.00 -1.22 -4.22 105.19 102.09 2wj4 n GLY 35 Ca 0.12 -1.47 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 2wj4 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wj4 s TRP 36 N -0.33 3.73 -0.94 1.61 0.52 -1.26 -4.25 118.94 118.03 2wj4 s TRP 36 Ca 0.00 1.55 -0.01 0.00 0.02 0.00 0.00 56.10 57.66 2wj4 s TRP 36 Cb 0.00 -2.91 0.00 0.00 -1.15 0.00 0.00 33.47 29.41 2wj4 s TRP 36 CO 0.00 0.20 0.11 0.00 0.02 0.00 0.00 176.95 177.28 2wj4 s HIS 38 N -2.68 1.10 0.07 0.00 -3.43 -1.26 -4.84 115.29 104.25 2wj4 s HIS 38 Ca 0.06 -1.33 0.01 0.00 -0.80 0.00 0.00 55.06 52.99 2wj4 s HIS 38 Cb -0.02 -0.05 -0.00 0.00 -1.43 0.00 0.00 32.58 31.07 2wj4 s HIS 38 CO 0.07 -1.20 0.04 -0.40 -2.00 0.00 0.00 174.74 171.25 2wj4 n ASP 39 N -1.59 0.38 -0.23 7.38 5.68 -1.26 -4.79 116.55 122.12 2wj4 n ASP 39 Ca 0.01 -1.40 0.32 0.00 -0.50 0.00 0.00 54.79 53.21 2wj4 n ASP 39 Cb 0.61 0.25 0.71 0.00 -1.14 0.00 0.00 41.12 41.55 2wj4 n ASP 39 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 2wj4 h HIS 40 N 1.16 0.00 -1.06 2.11 2.07 -1.90 -0.96 115.15 116.56 2wj4 h HIS 40 Ca -0.05 0.00 0.28 0.00 -2.85 0.00 0.00 60.37 57.75 2wj4 h HIS 40 Cb 0.22 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 30.12 2wj4 h HIS 40 CO 0.00 0.00 0.70 0.00 -3.07 0.00 0.00 177.93 175.56 2wj4 h ARG 41 N 0.00 0.29 -0.18 5.12 3.08 -1.99 0.19 114.38 120.89 2wj4 h ARG 41 Ca 0.49 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.57 2wj4 h ARG 41 Cb 2.18 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 32.15 2wj4 h ARG 41 CO -0.01 0.19 0.27 -0.24 -1.07 0.00 0.00 179.97 179.11 2wj4 h VAL 42 N 0.30 0.32 -0.18 2.04 3.04 -1.58 -2.45 116.25 117.74 2wj4 h VAL 42 Ca 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.27 2wj4 h VAL 42 Cb 1.67 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2wj4 h VAL 42 CO -0.23 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.11 2wj4 n TYR 43 N -3.55 0.20 0.01 3.17 0.53 0.66 -4.38 117.16 113.82 2wj4 n TYR 43 Ca 0.02 -0.10 0.08 0.00 -1.02 0.00 0.00 57.90 56.87 2wj4 n TYR 43 Cb 0.38 0.00 0.49 0.00 -1.03 0.00 0.00 39.34 39.18 2wj4 n TYR 43 CO 0.00 0.00 0.00 1.57 -1.02 0.00 0.00 176.86 177.41 2wj4 h LYS 44 N 4.38 0.40 0.20 -0.72 2.10 -1.44 0.16 116.57 121.65 2wj4 h LYS 44 Ca 0.00 -0.02 -0.30 0.00 -2.00 0.00 0.00 60.65 58.32 2wj4 h LYS 44 Cb 0.94 -0.09 0.03 0.00 -0.90 0.00 0.00 32.23 32.22 2wj4 h LYS 44 CO 0.00 0.26 -1.30 1.88 -2.00 0.00 0.00 179.45 178.29 2wj4 h TYR 45 N 0.41 0.93 -0.37 0.07 -1.99 -1.82 -3.13 116.97 111.06 2wj4 h TYR 45 Ca 0.17 -0.65 -0.02 0.00 2.00 0.00 0.00 58.73 60.23 2wj4 h TYR 45 Cb 0.18 -0.05 -0.02 0.00 2.00 0.00 0.00 36.73 38.84 2wj4 h TYR 45 CO -0.00 1.50 0.14 1.25 -0.00 0.00 0.00 178.16 181.05 2wj4 h LEU 46 N 0.10 0.52 -0.80 3.88 5.85 -1.44 -2.45 115.31 120.96 2wj4 h LEU 46 Ca -0.22 -0.18 0.13 0.00 0.84 0.00 0.00 57.88 58.45 2wj4 h LEU 46 Cb 2.01 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 42.82 2wj4 h LEU 46 CO 0.25 0.56 0.40 0.40 -0.34 0.00 0.00 178.44 179.70 2wj4 h ILE 47 N 0.45 0.74 -0.81 4.05 2.04 -0.81 -0.20 117.51 122.98 2wj4 h ILE 47 Ca 0.12 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2wj4 h ILE 47 Cb 0.21 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 2wj4 h ILE 47 CO -0.01 0.11 0.50 1.56 0.00 0.00 0.00 178.15 180.31 2wj4 h GLN 48 N 0.59 1.08 -0.46 2.37 4.20 -1.40 0.10 115.11 121.59 2wj4 h GLN 48 Ca 0.43 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 59.02 2wj4 h GLN 48 Cb 0.58 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2wj4 h GLN 48 CO -0.35 0.75 0.16 0.93 -0.67 0.00 0.00 178.83 179.65 2wj4 h GLU 49 N 1.10 0.67 0.00 1.46 4.39 -0.61 -3.24 114.58 118.35 2wj4 h GLU 49 Ca 0.29 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2wj4 h GLU 49 Cb -0.07 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 2wj4 h GLU 49 CO -0.06 0.58 -1.13 1.28 -1.16 0.00 0.00 179.01 178.51 2wj4 n LEU 50 N -4.34 0.81 -0.04 1.33 4.77 -0.81 -4.71 117.00 114.01 2wj4 n LEU 50 Ca 0.03 -0.42 -0.08 0.00 -0.03 0.00 0.00 56.01 55.51 2wj4 n LEU 50 Cb 0.17 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 2wj4 n LEU 50 CO 0.38 0.20 0.87 -0.78 -1.33 0.00 0.00 177.39 176.73 2wj4 h ASP 51 N 0.00 -0.05 -0.53 -1.43 3.58 -0.84 -2.51 116.42 114.64 2wj4 h ASP 51 Ca 0.00 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.52 2wj4 h ASP 51 Cb 0.56 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.66 2wj4 h ASP 51 CO 0.00 0.00 0.35 0.00 -2.88 0.00 0.00 179.24 176.71 2wj4 h ALA 52 N 1.17 1.72 -0.00 -0.78 0.00 -1.84 -3.31 119.26 116.22 2wj4 h ALA 52 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wj4 h ALA 52 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2wj4 h ALA 52 CO -0.15 0.23 -0.15 -0.25 0.00 0.00 0.00 179.25 178.92 2wj4 n ASP 53 N -4.47 1.00 -3.96 0.00 8.00 -0.98 -5.02 116.55 111.12 2wj4 n ASP 53 Ca 0.06 -1.00 -0.09 0.00 0.71 0.00 0.00 54.79 54.47 2wj4 n ASP 53 Cb 0.13 0.48 -0.10 0.00 -0.02 0.00 0.00 41.12 41.61 2wj4 n ASP 53 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2wj4 s PHE 54 N -1.10 0.25 -0.08 1.24 0.08 -0.99 -4.88 117.98 112.51 2wj4 s PHE 54 Ca 0.06 -0.59 -0.29 0.00 0.12 0.00 0.00 56.93 56.23 2wj4 s PHE 54 Cb 0.06 -0.18 -0.02 0.00 -0.57 0.00 0.00 43.02 42.31 2wj4 s PHE 54 CO 0.18 -0.35 0.98 0.50 -0.10 0.00 0.00 175.22 176.43 2wj4 s ARG 55 N -2.68 4.45 -0.17 0.44 3.52 -1.26 -4.67 118.95 118.57 2wj4 s ARG 55 Ca -0.04 1.35 0.01 0.00 -0.13 0.00 0.00 55.73 56.92 2wj4 s ARG 55 Cb -0.01 -3.52 0.02 0.00 -1.56 0.00 0.00 34.95 29.88 2wj4 s ARG 55 CO -0.05 -0.24 -0.18 0.08 -0.81 0.00 0.00 175.30 174.09 2wj4 s VAL 56 N 1.75 1.92 -0.08 7.11 1.01 -1.26 -0.47 120.40 130.39 2wj4 s VAL 56 Ca 0.48 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.65 2wj4 s VAL 56 Cb -0.19 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 2wj4 s VAL 56 CO 0.20 0.52 -0.22 -0.63 0.00 0.00 0.00 175.10 174.97 2wj4 s ILE 57 N 1.34 2.32 -0.28 2.22 -1.09 -0.44 -2.42 121.20 122.86 2wj4 s ILE 57 Ca 0.05 -0.96 -0.01 0.00 -2.23 0.00 0.00 60.65 57.50 2wj4 s ILE 57 Cb -0.13 -1.88 0.09 0.00 -1.58 0.00 0.00 42.46 38.96 2wj4 s ILE 57 CO -0.12 0.56 0.07 -0.69 -1.23 0.00 0.00 174.94 173.53 2wj4 s VAL 58 N -0.06 0.88 0.24 2.92 1.01 -0.15 -0.80 120.40 124.44 2wj4 s VAL 58 Ca -0.06 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 60.42 2wj4 s VAL 58 Cb -0.14 -1.55 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 2wj4 s VAL 58 CO 0.05 -0.52 0.97 -2.16 0.00 0.00 0.00 175.10 173.44 2wj4 s PRO 59 N 1.64 4.81 -0.14 2.72 0.04 -1.26 -0.23 135.00 142.59 2wj4 s PRO 59 Ca 0.06 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 62.53 2wj4 s PRO 59 Cb -0.17 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 2wj4 s PRO 59 CO -0.19 0.45 0.22 -0.80 0.04 0.00 0.00 177.00 176.71 2wj4 s ASN 60 N -1.06 6.40 0.95 6.66 0.01 -0.51 -4.49 114.94 122.89 2wj4 s ASN 60 Ca 0.42 0.46 -0.12 0.00 -0.71 0.00 0.00 52.86 52.91 2wj4 s ASN 60 Cb -0.27 -2.13 0.16 0.00 0.41 0.00 0.00 41.25 39.42 2wj4 s ASN 60 CO 0.33 0.23 1.09 0.26 -1.51 0.00 0.00 177.10 177.50 2wj4 s TRP 61 N -0.11 2.16 0.15 2.20 0.23 -1.26 -4.46 118.94 117.84 2wj4 s TRP 61 Ca 0.14 1.20 -0.34 0.00 -2.03 0.00 0.00 56.10 55.07 2wj4 s TRP 61 Cb -0.13 -3.19 -0.15 0.00 0.03 0.00 0.00 33.47 30.04 2wj4 s TRP 61 CO 0.03 -2.66 1.42 0.54 0.96 0.00 0.00 176.95 177.24 2wj4 n ARG 62 N -4.06 1.70 -0.93 4.98 1.74 -1.26 -0.88 116.66 117.96 2wj4 n ARG 62 Ca 0.06 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 2wj4 n ARG 62 Cb 0.56 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.71 2wj4 n ARG 62 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wj4 n GLY 63 N 2.74 0.84 3.76 -0.13 0.00 -1.26 -4.95 105.19 106.19 2wj4 n GLY 63 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2wj4 n GLY 63 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wj4 s HIS 64 N -3.51 3.17 -5.00 1.61 3.76 -0.06 -1.42 115.29 113.84 2wj4 s HIS 64 Ca 0.00 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 54.99 2wj4 s HIS 64 Cb 0.00 -1.63 0.00 0.00 1.11 0.00 0.00 32.58 32.06 2wj4 s HIS 64 CO 0.00 0.52 0.00 0.41 -0.85 0.00 0.00 174.74 174.82 2wj4 n GLY 65 N 0.62 0.40 0.27 -2.22 0.00 -1.26 -4.62 105.19 98.38 2wj4 n GLY 65 Ca -0.10 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.31 2wj4 n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wj4 h LEU 66 N 0.00 0.00 -6.94 0.99 3.38 -1.98 -3.27 115.31 107.49 2wj4 h LEU 66 Ca 0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 2wj4 h LEU 66 Cb 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.34 2wj4 h LEU 66 CO 0.00 0.10 -0.69 -0.55 0.09 0.00 0.00 178.44 177.39 2wj4 s SER 67 N -6.23 3.86 0.71 -0.43 0.15 -1.26 -5.05 113.70 105.45 2wj4 s SER 67 Ca -0.03 -3.43 -0.16 0.00 0.70 0.00 0.00 55.95 53.03 2wj4 s SER 67 Cb 0.14 -1.28 0.01 0.00 -1.71 0.00 0.00 66.02 63.17 2wj4 s SER 67 CO 0.59 -0.14 1.06 -2.65 1.20 0.00 0.00 173.24 173.29 2wj4 n PRO 68 N 2.50 0.63 -3.80 5.44 -0.02 -1.24 -4.88 135.00 133.63 2wj4 n PRO 68 Ca 0.19 0.27 -0.12 0.00 -2.02 0.00 0.00 63.50 61.82 2wj4 n PRO 68 Cb 0.37 -2.30 -0.09 0.00 -0.02 0.00 0.00 33.50 31.46 2wj4 n PRO 68 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2wj4 s SER 69 N -1.60 -0.11 0.30 2.55 1.04 -0.51 -5.00 113.70 110.38 2wj4 s SER 69 Ca 0.76 -0.04 -0.29 0.00 0.48 0.00 0.00 55.95 56.86 2wj4 s SER 69 Cb -0.35 0.27 -0.10 0.00 0.10 0.00 0.00 66.02 65.94 2wj4 s SER 69 CO 0.48 -0.43 1.43 -1.61 0.98 0.00 0.00 173.24 174.09 2wj4 s GLU 70 N -1.40 4.24 0.13 4.02 2.02 -1.26 -4.29 118.70 122.17 2wj4 s GLU 70 Ca -0.14 2.36 -0.02 0.00 0.02 0.00 0.00 54.97 57.19 2wj4 s GLU 70 Cb -0.06 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 2wj4 s GLU 70 CO 0.03 -0.40 0.09 0.14 0.02 0.00 0.00 175.26 175.14 2wj4 s VAL 71 N -0.55 0.10 0.87 2.63 -7.23 -1.26 -4.95 120.40 110.01 2wj4 s VAL 71 Ca 0.55 -1.83 -0.11 0.00 -1.81 0.00 0.00 61.98 58.79 2wj4 s VAL 71 Cb -0.43 -1.99 0.11 0.00 0.56 0.00 0.00 36.38 34.63 2wj4 s VAL 71 CO 0.51 -0.46 1.11 -2.84 -0.31 0.00 0.00 175.10 173.11 2wj4 s PRO 72 N -4.03 1.45 0.38 4.82 0.02 -1.26 -4.94 135.00 131.44 2wj4 s PRO 72 Ca 0.22 1.27 -0.28 0.00 0.02 0.00 0.00 61.00 62.24 2wj4 s PRO 72 Cb 0.07 -1.80 -0.11 0.00 0.02 0.00 0.00 34.50 32.68 2wj4 s PRO 72 CO 0.01 -2.24 1.48 -0.51 -0.33 0.00 0.00 177.00 175.42 2wj4 s ASP 73 N -3.05 6.30 0.21 2.53 1.01 -1.26 -5.01 116.67 117.40 2wj4 s ASP 73 Ca 0.64 3.04 -0.19 0.00 0.71 0.00 0.00 52.55 56.75 2wj4 s ASP 73 Cb -0.20 -2.67 0.03 0.00 1.01 0.00 0.00 42.92 41.10 2wj4 s ASP 73 CO 0.57 -0.90 0.58 0.72 0.21 0.00 0.00 175.17 176.35 2wj4 s PHE 74 N -1.13 -0.20 0.00 4.23 -0.71 -1.26 -5.16 117.98 113.75 2wj4 s PHE 74 Ca 0.53 -0.15 0.00 0.00 -1.04 0.00 0.00 56.93 56.28 2wj4 s PHE 74 Cb -0.46 0.49 0.00 0.00 -1.21 0.00 0.00 43.02 41.84 2wj4 s PHE 74 CO 0.63 -0.98 0.00 0.41 -1.34 0.00 0.00 175.22 173.94 2wj4 n GLY 75 N -0.38 5.45 0.18 1.99 0.00 -1.26 -4.97 105.19 106.21 2wj4 n GLY 75 Ca -0.10 -1.72 0.03 0.00 0.00 0.00 0.00 46.02 44.23 2wj4 n GLY 75 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2wj4 h TYR 76 N 0.35 0.00 -0.43 1.61 -0.00 -1.95 -2.08 116.97 114.46 2wj4 h TYR 76 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.73 58.76 2wj4 h TYR 76 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 36.69 2wj4 h TYR 76 CO 0.00 0.41 0.22 1.96 -0.00 0.00 0.00 178.16 180.76 2wj4 h GLN 77 N 0.00 0.43 -0.48 0.10 7.50 -1.97 -0.42 115.11 120.28 2wj4 h GLN 77 Ca -0.00 -0.03 -0.08 0.00 0.50 0.00 0.00 58.65 59.04 2wj4 h GLN 77 Cb 0.79 -0.10 -0.02 0.00 0.05 0.00 0.00 27.48 28.20 2wj4 h GLN 77 CO 0.05 0.29 -0.01 0.93 -1.50 0.00 0.00 178.83 178.59 2wj4 h GLU 78 N 0.45 0.80 -0.55 1.46 3.07 -1.83 -2.51 114.58 115.46 2wj4 h GLU 78 Ca 0.18 -0.22 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 2wj4 h GLU 78 Cb 0.08 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 2wj4 h GLU 78 CO -0.12 0.82 0.20 1.96 -1.40 0.00 0.00 179.01 180.46 2wj4 h GLN 79 N 0.75 0.84 -0.35 2.33 4.20 -0.87 -0.62 115.11 121.38 2wj4 h GLN 79 Ca 0.14 -0.16 0.06 0.00 0.06 0.00 0.00 58.65 58.75 2wj4 h GLN 79 Cb 0.47 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.07 2wj4 h GLN 79 CO 0.02 0.74 0.02 0.28 -0.67 0.00 0.00 178.83 179.23 2wj4 h VAL 80 N 0.76 0.77 -0.36 -0.54 2.07 -0.93 -0.72 116.25 117.30 2wj4 h VAL 80 Ca 0.18 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 2wj4 h VAL 80 Cb 0.23 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2wj4 h VAL 80 CO -0.01 0.02 0.10 0.11 0.02 0.00 0.00 177.57 177.82 2wj4 h LYS 81 N 0.13 0.57 -0.60 1.57 1.57 -1.22 -1.76 116.57 116.82 2wj4 h LYS 81 Ca 0.17 -0.13 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 2wj4 h LYS 81 Cb 0.22 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 2wj4 h LYS 81 CO -0.26 0.60 0.33 -0.44 -0.57 0.00 0.00 179.45 179.10 2wj4 h ASP 82 N 0.43 0.49 -0.07 0.86 3.32 -0.99 0.14 116.42 120.61 2wj4 h ASP 82 Ca 0.12 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 2wj4 h ASP 82 Cb 0.27 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 2wj4 h ASP 82 CO -0.00 0.33 0.04 0.00 -1.72 0.00 0.00 179.24 177.89 2wj4 h ALA 83 N 1.30 0.09 -0.69 3.45 0.00 -0.88 -1.55 119.26 120.98 2wj4 h ALA 83 Ca 0.26 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2wj4 h ALA 83 Cb 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2wj4 h ALA 83 CO -0.16 -0.37 0.34 -0.07 0.00 0.00 0.00 179.25 179.00 2wj4 h LEU 84 N 0.01 0.89 -1.06 0.00 3.38 -0.99 -1.33 115.31 116.20 2wj4 h LEU 84 Ca 0.02 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.88 2wj4 h LEU 84 Cb 0.09 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 2wj4 h LEU 84 CO -0.00 0.76 0.63 -0.08 0.09 0.00 0.00 178.44 179.84 2wj4 h GLU 85 N 0.95 1.25 -0.55 1.13 4.57 -0.56 0.29 114.58 121.67 2wj4 h GLU 85 Ca 0.24 -0.08 -0.08 0.00 -1.18 0.00 0.00 59.36 58.26 2wj4 h GLU 85 Cb 0.10 -0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 28.38 2wj4 h GLU 85 CO -0.03 0.83 0.04 0.82 -1.18 0.00 0.00 179.01 179.48 2wj4 h ILE 86 N 1.29 1.26 -0.55 2.32 2.04 -0.66 -1.16 117.51 122.04 2wj4 h ILE 86 Ca 0.35 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 2wj4 h ILE 86 Cb -0.14 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2wj4 h ILE 86 CO -0.08 0.38 0.23 -0.07 0.00 0.00 0.00 178.15 178.61 2wj4 h LEU 87 N 0.83 0.75 0.61 1.44 3.38 -0.28 -0.50 115.31 121.54 2wj4 h LEU 87 Ca 0.16 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2wj4 h LEU 87 Cb 0.49 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2wj4 h LEU 87 CO 0.02 0.71 -0.30 0.44 0.09 0.00 0.00 178.44 179.40 2wj4 h ASP 88 N 0.75 -0.72 -0.98 -0.43 3.32 -0.37 0.13 116.42 118.12 2wj4 h ASP 88 Ca 0.19 0.03 0.23 0.00 0.02 0.00 0.00 57.03 57.50 2wj4 h ASP 88 Cb 0.18 0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.84 2wj4 h ASP 88 CO -0.02 -0.51 0.64 1.56 -1.72 0.00 0.00 179.24 179.19 2wj4 h GLN 89 N -0.83 0.43 -0.00 3.56 4.20 -1.11 0.12 115.11 121.48 2wj4 h GLN 89 Ca -0.08 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2wj4 h GLN 89 Cb 0.64 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2wj4 h GLN 89 CO 0.13 0.29 -0.18 1.28 -0.67 0.00 0.00 178.83 179.67 2wj4 n LEU 90 N -4.59 0.62 -0.97 1.46 4.77 -0.21 -4.92 117.00 113.17 2wj4 n LEU 90 Ca 0.23 -0.05 -0.11 0.00 -0.03 0.00 0.00 56.01 56.04 2wj4 n LEU 90 Cb 0.77 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.64 2wj4 n LEU 90 CO 0.27 0.12 -0.12 0.61 -1.33 0.00 0.00 177.39 176.94 2wj4 n GLY 91 N 1.33 0.87 3.71 -0.72 0.00 0.40 -4.99 105.19 105.79 2wj4 n GLY 91 Ca 0.13 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 2wj4 n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wj4 s VAL 92 N -2.45 4.92 0.00 1.61 1.01 -0.13 -4.98 120.40 120.37 2wj4 s VAL 92 Ca 0.00 1.88 0.00 0.00 0.00 0.00 0.00 61.98 63.86 2wj4 s VAL 92 Cb 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2wj4 s VAL 92 CO 0.00 0.18 0.00 -0.62 0.00 0.00 0.00 175.10 174.66 2wj4 n GLU 93 N 3.93 0.00 -3.12 2.72 1.02 -1.26 -4.61 120.64 119.32 2wj4 n GLU 93 Ca 0.04 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.79 2wj4 n GLU 93 Cb 0.51 -0.08 -0.06 0.00 -0.02 0.00 0.00 31.44 31.79 2wj4 n GLU 93 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2wj4 s THR 94 N 0.00 4.69 -0.02 2.62 2.01 -1.26 -4.85 115.64 118.83 2wj4 s THR 94 Ca 0.00 1.43 -0.12 0.00 0.31 0.00 0.00 61.69 63.31 2wj4 s THR 94 Cb 0.00 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.51 2wj4 s THR 94 CO 0.00 0.47 0.25 0.72 -0.69 0.00 0.00 174.62 175.37 2wj4 s PHE 95 N -0.67 -0.12 -0.49 4.92 -0.12 -0.39 -1.79 117.98 119.32 2wj4 s PHE 95 Ca 0.33 0.18 -0.13 0.00 -0.05 0.00 0.00 56.93 57.26 2wj4 s PHE 95 Cb -0.20 0.05 0.11 0.00 -0.63 0.00 0.00 43.02 42.35 2wj4 s PHE 95 CO 0.21 -0.34 0.40 -1.17 -0.05 0.00 0.00 175.22 174.28 2wj4 s LEU 96 N -1.22 5.82 0.20 -1.99 2.96 0.83 -4.35 118.68 120.94 2wj4 s LEU 96 Ca -0.13 -1.75 -0.30 0.00 -0.22 0.00 0.00 54.13 51.73 2wj4 s LEU 96 Cb -0.06 -2.11 -0.08 0.00 0.50 0.00 0.00 46.19 44.44 2wj4 s LEU 96 CO 0.03 -0.73 1.14 -2.16 -1.32 0.00 0.00 176.35 173.30 2wj4 s PRO 97 N 1.49 4.56 -0.17 0.98 0.04 -1.26 -1.57 135.00 139.08 2wj4 s PRO 97 Ca 0.04 1.80 -0.00 0.00 0.04 0.00 0.00 61.00 62.88 2wj4 s PRO 97 Cb -0.27 -3.24 0.04 0.00 0.04 0.00 0.00 34.50 31.07 2wj4 s PRO 97 CO 0.02 0.04 -0.06 0.08 0.04 0.00 0.00 177.00 177.12 2wj4 s VAL 98 N -0.38 1.18 0.15 -0.36 1.01 0.86 -1.92 120.40 120.93 2wj4 s VAL 98 Ca 0.50 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.84 2wj4 s VAL 98 Cb -0.31 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2wj4 s VAL 98 CO 0.37 0.13 0.12 -0.94 0.00 0.00 0.00 175.10 174.79 2wj4 s SER 99 N 1.60 5.51 -0.19 3.32 1.04 0.19 -0.74 113.70 124.42 2wj4 s SER 99 Ca 0.00 -0.11 -0.05 0.00 0.48 0.00 0.00 55.95 56.28 2wj4 s SER 99 Cb -0.15 -1.45 -0.03 0.00 0.10 0.00 0.00 66.02 64.49 2wj4 s SER 99 CO -0.08 0.09 0.01 -2.28 0.98 0.00 0.00 173.24 171.96 2wj4 s HIS 100 N -1.67 3.07 0.00 5.02 2.46 -0.67 -0.57 115.29 122.93 2wj4 s HIS 100 Ca 0.30 -0.34 0.00 0.00 0.47 0.00 0.00 55.06 55.50 2wj4 s HIS 100 Cb -0.11 -2.07 0.00 0.00 -0.13 0.00 0.00 32.58 30.27 2wj4 s HIS 100 CO 0.23 -0.15 0.00 0.45 -2.47 0.00 0.00 174.74 172.80 2wj4 n SER 101 N 4.05 0.00 0.00 9.88 2.88 0.51 -1.38 113.62 129.56 2wj4 n SER 101 Ca -0.17 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.48 2wj4 n SER 101 Cb 0.52 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.60 2wj4 n SER 101 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2wj4 n HIS 102 N 14.00 0.00 0.32 0.66 -0.00 -1.26 -1.15 115.22 127.79 2wj4 n HIS 102 Ca 0.00 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 57.89 2wj4 n HIS 102 Cb 0.00 -0.05 0.92 0.00 -0.00 0.00 0.00 29.99 30.86 2wj4 n HIS 102 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 2wj4 h GLY 103 N 3.41 0.00 1.82 -1.41 0.00 -1.40 -3.03 103.07 102.46 2wj4 h GLY 103 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2wj4 h GLY 103 CO 0.00 0.00 0.03 -1.33 0.00 0.00 0.00 176.54 175.24 2wj4 h GLY 104 N 0.00 0.25 1.32 4.60 0.00 -1.31 -1.54 103.07 106.39 2wj4 h GLY 104 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 2wj4 h GLY 104 CO 0.00 0.11 0.10 1.49 0.00 0.00 0.00 176.54 178.24 2wj4 h TRP 105 N 0.23 0.88 -0.21 5.60 4.06 -1.78 -0.63 115.95 124.09 2wj4 h TRP 105 Ca 0.06 -0.09 -0.04 0.00 2.06 0.00 0.00 58.89 60.88 2wj4 h TRP 105 Cb 0.12 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.02 2wj4 h TRP 105 CO 0.00 0.76 -0.01 0.28 -3.56 0.00 0.00 178.44 175.91 2wj4 h VAL 106 N 0.81 1.26 -0.30 1.49 2.07 -1.52 -2.89 116.25 117.16 2wj4 h VAL 106 Ca 0.17 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.80 2wj4 h VAL 106 Cb 0.35 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 2wj4 h VAL 106 CO 0.00 0.28 0.10 0.25 0.02 0.00 0.00 177.57 178.22 2wj4 h LEU 107 N 0.14 0.10 -0.46 2.57 6.46 -0.88 0.11 115.31 123.34 2wj4 h LEU 107 Ca 0.06 0.03 -0.16 0.00 -0.12 0.00 0.00 57.88 57.69 2wj4 h LEU 107 Cb 0.43 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 2wj4 h LEU 107 CO 0.01 0.09 -0.48 0.58 -0.62 0.00 0.00 178.44 178.03 2wj4 h VAL 108 N 0.22 1.29 -0.15 1.05 2.07 -1.21 -0.36 116.25 119.16 2wj4 h VAL 108 Ca 0.13 -1.67 -0.15 0.00 0.82 0.00 0.00 66.70 65.83 2wj4 h VAL 108 Cb 0.11 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2wj4 h VAL 108 CO -0.15 0.54 -0.53 -0.08 0.02 0.00 0.00 177.57 177.38 2wj4 h GLU 109 N 0.59 0.44 -0.65 1.57 4.57 -1.35 -2.78 114.58 116.96 2wj4 h GLU 109 Ca 0.03 -0.26 -0.05 0.00 -1.18 0.00 0.00 59.36 57.90 2wj4 h GLU 109 Cb 1.04 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.63 2wj4 h GLU 109 CO 0.10 0.86 0.22 1.25 -1.18 0.00 0.00 179.01 180.26 2wj4 h LEU 110 N 0.34 0.92 -0.59 1.64 5.85 -0.52 0.33 115.31 123.29 2wj4 h LEU 110 Ca 0.01 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.57 2wj4 h LEU 110 Cb 1.04 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 2wj4 h LEU 110 CO 0.09 0.87 0.35 -0.07 -0.34 0.00 0.00 178.44 179.34 2wj4 h LEU 111 N 0.93 0.56 -0.18 2.25 3.38 -0.99 0.13 115.31 121.39 2wj4 h LEU 111 Ca 0.21 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2wj4 h LEU 111 Cb 0.26 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2wj4 h LEU 111 CO -0.01 0.39 0.06 -0.08 0.09 0.00 0.00 178.44 178.89 2wj4 h GLU 112 N 0.69 0.27 -0.15 1.13 4.57 -1.20 -1.14 114.58 118.75 2wj4 h GLU 112 Ca 0.24 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.29 2wj4 h GLU 112 Cb 0.04 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2wj4 h GLU 112 CO -0.11 0.37 -0.19 0.37 -1.18 0.00 0.00 179.01 178.27 2wj4 h GLN 113 N 0.12 0.40 0.00 1.92 5.75 -0.61 -3.23 115.11 119.47 2wj4 h GLN 113 Ca 0.06 -0.22 -0.17 0.00 -0.15 0.00 0.00 58.65 58.16 2wj4 h GLN 113 Cb 0.20 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 2wj4 h GLN 113 CO -0.00 0.80 -0.85 0.00 -2.65 0.00 0.00 178.83 176.13 2wj4 h ALA 114 N 0.60 0.49 -0.27 3.38 0.00 -0.85 -3.51 119.26 119.10 2wj4 h ALA 114 Ca 0.02 -0.76 0.03 0.00 0.00 0.00 0.00 54.91 54.20 2wj4 h ALA 114 Cb 0.74 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2wj4 h ALA 114 CO 0.04 1.02 -0.08 0.41 0.00 0.00 0.00 179.25 180.64 2wj4 n GLY 115 N 1.31 -2.31 0.17 0.00 0.00 -0.43 -4.24 105.19 99.69 2wj4 n GLY 115 Ca 0.00 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 44.71 2wj4 n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wj4 h PRO 116 N -0.11 0.00 0.03 1.61 0.13 -1.78 -0.01 132.00 131.88 2wj4 h PRO 116 Ca -0.01 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.06 2wj4 h PRO 116 Cb 0.11 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.24 2wj4 h PRO 116 CO 0.00 0.00 -0.26 0.93 -0.23 0.00 0.00 178.00 178.44 2wj4 h GLU 117 N 0.00 0.12 -0.05 0.86 5.08 -1.96 -2.87 114.58 115.76 2wj4 h GLU 117 Ca 0.00 -0.17 -0.23 0.00 -1.00 0.00 0.00 59.36 57.96 2wj4 h GLU 117 Cb 0.40 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.72 2wj4 h GLU 117 CO 0.00 1.02 -0.91 -0.09 -1.00 0.00 0.00 179.01 178.04 2wj4 h ARG 118 N -0.70 0.60 -2.63 2.33 2.43 -1.70 -3.40 114.38 111.30 2wj4 h ARG 118 Ca -0.04 -0.58 -0.60 0.00 -0.81 0.00 0.00 59.98 57.94 2wj4 h ARG 118 Cb 1.14 0.15 -0.40 0.00 -0.42 0.00 0.00 29.97 30.44 2wj4 h ARG 118 CO 0.05 1.20 -0.79 0.00 -1.51 0.00 0.00 179.97 178.92 2wj4 n ALA 119 N -2.59 3.15 0.23 2.80 0.00 -0.03 -1.26 120.51 122.81 2wj4 n ALA 119 Ca -0.08 -3.83 0.13 0.00 0.00 0.00 0.00 53.44 49.66 2wj4 n ALA 119 Cb 0.81 -0.88 0.31 0.00 0.00 0.00 0.00 19.45 19.69 2wj4 n ALA 119 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2wj4 h PRO 120 N 5.33 0.00 -4.07 0.00 0.13 -1.70 -3.37 132.00 128.32 2wj4 h PRO 120 Ca 0.20 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.20 2wj4 h PRO 120 Cb 0.83 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.83 2wj4 h PRO 120 CO 0.55 0.01 -0.41 1.03 -0.23 0.00 0.00 178.00 178.96 2wj4 s ARG 121 N -3.33 1.16 -0.01 0.86 0.52 -1.26 -4.12 118.95 112.77 2wj4 s ARG 121 Ca 0.05 -1.30 -0.10 0.00 -0.52 0.00 0.00 55.73 53.86 2wj4 s ARG 121 Cb 0.06 0.34 0.01 0.00 0.52 0.00 0.00 34.95 35.89 2wj4 s ARG 121 CO 0.64 -0.41 0.20 0.20 0.02 0.00 0.00 175.30 175.95 2wj4 s GLY 122 N -3.02 -0.03 -0.18 -3.53 0.00 -0.49 -4.17 107.32 95.90 2wj4 s GLY 122 Ca 0.22 0.05 0.01 0.00 0.00 0.00 0.00 44.72 45.00 2wj4 s GLY 122 CO 0.03 -0.11 -0.19 -0.42 0.00 0.00 0.00 173.10 172.42 2wj4 s ILE 123 N -1.32 1.96 -0.22 0.90 1.01 -0.81 -2.50 121.20 120.24 2wj4 s ILE 123 Ca -0.14 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 59.54 2wj4 s ILE 123 Cb -0.07 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 2wj4 s ILE 123 CO 0.02 0.51 0.08 0.27 0.00 0.00 0.00 174.94 175.82 2wj4 s ILE 124 N 1.33 4.68 -0.17 2.92 -4.36 -0.77 -0.64 121.20 124.18 2wj4 s ILE 124 Ca 0.05 -0.06 -0.08 0.00 -0.26 0.00 0.00 60.65 60.30 2wj4 s ILE 124 Cb -0.13 -3.15 -0.04 0.00 1.25 0.00 0.00 42.46 40.38 2wj4 s ILE 124 CO -0.12 0.39 0.10 -0.04 0.24 0.00 0.00 174.94 175.51 2wj4 s MET 125 N 0.96 3.93 -0.84 0.37 -1.94 0.27 -0.79 119.30 121.27 2wj4 s MET 125 Ca 0.04 -0.26 -0.06 0.00 -1.71 0.00 0.00 55.69 53.71 2wj4 s MET 125 Cb -0.14 -3.28 0.01 0.00 2.01 0.00 0.00 34.83 33.43 2wj4 s MET 125 CO 0.03 0.39 0.57 -3.47 -0.01 0.00 0.00 175.02 172.53 2wj4 n ASP 126 N 3.21 -4.37 -3.93 3.03 -0.08 0.17 -0.36 116.55 114.23 2wj4 n ASP 126 Ca -0.17 -0.98 -0.28 0.00 -1.51 0.00 0.00 54.79 51.86 2wj4 n ASP 126 Cb 0.53 -1.49 -0.17 0.00 2.34 0.00 0.00 41.12 42.33 2wj4 n ASP 126 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 2wj4 s TRP 127 N -3.04 1.63 -0.30 -0.67 -0.00 -1.26 -3.70 118.94 111.60 2wj4 s TRP 127 Ca 0.08 -0.86 -0.28 0.00 -0.00 0.00 0.00 56.10 55.04 2wj4 s TRP 127 Cb -0.04 -1.31 -0.06 0.00 -0.00 0.00 0.00 33.47 32.06 2wj4 s TRP 127 CO 0.85 -0.55 2.27 1.28 -0.00 0.00 0.00 176.95 180.80 2wj4 n LEU 128 N 4.91 2.93 0.16 5.86 4.77 -1.26 -4.83 117.00 129.53 2wj4 n LEU 128 Ca -0.13 0.06 0.04 0.00 -0.03 0.00 0.00 56.01 55.94 2wj4 n LEU 128 Cb 0.50 -1.53 0.16 0.00 -2.33 0.00 0.00 43.42 40.22 2wj4 n LEU 128 CO 0.17 -0.89 0.56 0.24 -1.33 0.00 0.00 177.39 176.14 2wj4 h MET 129 N 15.86 0.00 -6.28 3.23 2.86 -1.98 -3.41 114.93 125.22 2wj4 h MET 129 Ca -0.36 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 56.82 2wj4 h MET 129 Cb 1.25 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.91 2wj4 h MET 129 CO 1.01 0.46 -0.37 1.67 1.06 0.00 0.00 176.91 180.74 2wj4 s TRP 130 N -3.23 3.44 0.80 -0.22 -2.14 -1.26 -4.08 118.94 112.25 2wj4 s TRP 130 Ca 0.02 0.06 -0.13 0.00 2.66 0.00 0.00 56.10 58.71 2wj4 s TRP 130 Cb 0.09 -1.67 0.08 0.00 -3.10 0.00 0.00 33.47 28.87 2wj4 s TRP 130 CO 0.72 0.34 1.20 0.00 -2.66 0.00 0.00 176.95 176.54 2wj4 s ALA 131 N -2.07 1.89 0.07 2.67 0.00 -1.26 -4.79 121.76 118.26 2wj4 s ALA 131 Ca 0.36 0.81 -0.32 0.00 0.00 0.00 0.00 51.96 52.81 2wj4 s ALA 131 Cb -0.09 -3.48 -0.11 0.00 0.00 0.00 0.00 23.12 19.44 2wj4 s ALA 131 CO 0.31 -2.21 1.85 -2.30 0.00 0.00 0.00 175.76 173.41 2wj4 n PRO 132 N -3.24 2.62 -0.99 0.00 -0.02 -1.26 -4.97 135.00 127.14 2wj4 n PRO 132 Ca 0.13 0.96 -0.29 0.00 -2.02 0.00 0.00 63.50 62.28 2wj4 n PRO 132 Cb 0.51 -2.84 0.18 0.00 -0.02 0.00 0.00 33.50 31.32 2wj4 n PRO 132 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wj4 s LYS 133 N 3.17 0.45 0.27 -0.52 -0.14 -1.26 -4.70 119.74 117.01 2wj4 s LYS 133 Ca 0.85 0.80 -0.03 0.00 -1.36 0.00 0.00 55.97 56.23 2wj4 s LYS 133 Cb -0.54 -1.72 0.37 0.00 -1.68 0.00 0.00 37.83 34.27 2wj4 s LYS 133 CO 0.41 -2.79 1.94 -1.35 -0.76 0.00 0.00 175.35 172.80 2wj4 h PRO 134 N -1.95 1.19 -0.17 -1.68 0.11 -1.98 0.98 132.00 128.50 2wj4 h PRO 134 Ca -0.53 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.49 2wj4 h PRO 134 Cb 1.31 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2wj4 h PRO 134 CO 0.53 0.79 0.07 -0.44 -0.21 0.00 0.00 178.00 178.74 2wj4 h ASP 135 N 1.23 0.24 -0.44 -2.05 5.19 -1.99 0.13 116.42 118.73 2wj4 h ASP 135 Ca 0.36 -0.17 -0.10 0.00 -0.62 0.00 0.00 57.03 56.50 2wj4 h ASP 135 Cb -0.07 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 2wj4 h ASP 135 CO -0.09 0.35 -0.10 0.15 -3.12 0.00 0.00 179.24 176.43 2wj4 h PHE 136 N 0.12 0.96 -0.63 4.55 3.57 -1.88 0.14 116.94 123.77 2wj4 h PHE 136 Ca 0.06 -0.20 0.06 0.00 3.53 0.00 0.00 57.97 61.41 2wj4 h PHE 136 Cb 0.19 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 2wj4 h PHE 136 CO -0.01 0.95 0.34 0.00 -2.23 0.00 0.00 178.31 177.36 2wj4 h ALA 137 N 0.87 0.83 -0.12 2.41 0.00 -0.66 -1.20 119.26 121.39 2wj4 h ALA 137 Ca 0.11 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2wj4 h ALA 137 Cb 0.64 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2wj4 h ALA 137 CO 0.04 0.01 -0.04 -0.22 0.00 0.00 0.00 179.25 179.04 2wj4 h LYS 138 N 0.63 -0.02 -0.61 0.00 1.63 -0.44 -2.23 116.57 115.54 2wj4 h LYS 138 Ca 0.28 0.00 0.13 0.00 -0.85 0.00 0.00 60.65 60.21 2wj4 h LYS 138 Cb 0.17 0.00 -0.10 0.00 -0.60 0.00 0.00 32.23 31.70 2wj4 h LYS 138 CO -0.18 -0.01 0.02 0.77 -3.45 0.00 0.00 179.45 176.60 2wj4 h SER 139 N -0.02 -0.24 -0.77 4.20 0.02 -0.02 -0.74 113.55 115.97 2wj4 h SER 139 Ca 0.06 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2wj4 h SER 139 Cb 0.11 0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 2wj4 h SER 139 CO -0.14 -0.10 0.48 -0.07 -1.14 0.00 0.00 176.83 175.86 2wj4 h LEU 140 N 0.13 0.92 -0.85 5.07 3.38 -0.85 -0.95 115.31 122.17 2wj4 h LEU 140 Ca 0.32 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 2wj4 h LEU 140 Cb 0.52 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2wj4 h LEU 140 CO -0.51 0.70 0.44 0.71 0.09 0.00 0.00 178.44 179.87 2wj4 h THR 141 N 1.06 1.25 -0.49 0.22 1.35 -0.67 -1.85 112.91 113.78 2wj4 h THR 141 Ca 0.28 -0.66 -0.03 0.00 -0.55 0.00 0.00 66.41 65.44 2wj4 h THR 141 Cb -0.06 0.13 -0.02 0.00 -1.73 0.00 0.00 68.15 66.47 2wj4 h THR 141 CO -0.05 0.29 0.18 -0.07 -0.25 0.00 0.00 175.52 175.61 2wj4 h LEU 142 N 1.19 0.70 -1.41 3.87 4.07 -0.51 -2.65 115.31 120.57 2wj4 h LEU 142 Ca 0.30 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 2wj4 h LEU 142 Cb 0.07 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 2wj4 h LEU 142 CO -0.04 0.70 0.29 -0.07 -1.08 0.00 0.00 178.44 178.24 2wj4 h LEU 143 N 0.66 0.61 -0.99 1.67 3.38 -0.66 -1.59 115.31 118.39 2wj4 h LEU 143 Ca 0.16 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2wj4 h LEU 143 Cb 0.23 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2wj4 h LEU 143 CO -0.01 0.49 0.00 0.11 0.09 0.00 0.00 178.44 179.12 2wj4 h LYS 144 N 0.70 0.00 -5.64 1.13 1.57 -0.99 -3.20 116.57 110.14 2wj4 h LYS 144 Ca 0.18 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.36 2wj4 h LYS 144 Cb -0.00 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.21 2wj4 h LYS 144 CO -0.03 0.00 0.30 0.34 -0.57 0.00 0.00 179.45 179.49 2wj4 s ASP 145 N -4.91 6.70 0.61 0.86 -1.08 -0.62 -4.94 116.67 113.30 2wj4 s ASP 145 Ca 0.03 0.86 0.38 0.00 -0.52 0.00 0.00 52.55 53.31 2wj4 s ASP 145 Cb 0.09 -2.38 1.98 0.00 -1.46 0.00 0.00 42.92 41.15 2wj4 s ASP 145 CO 0.47 -0.43 2.22 1.55 0.52 0.00 0.00 175.17 179.50 2wj4 h PRO 146 N 7.78 0.00 0.05 4.34 0.13 -1.85 -0.35 132.00 142.10 2wj4 h PRO 146 Ca -0.25 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.60 2wj4 h PRO 146 Cb 1.11 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2wj4 h PRO 146 CO 0.82 0.02 -1.48 0.93 -0.23 0.00 0.00 178.00 178.06 2wj4 h GLU 147 N 0.00 0.11 0.00 0.86 4.39 -1.92 -3.40 114.58 114.61 2wj4 h GLU 147 Ca -0.00 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2wj4 h GLU 147 Cb 0.18 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2wj4 h GLU 147 CO 0.00 0.89 -0.04 0.54 -1.16 0.00 0.00 179.01 179.24 2wj4 n ARG 148 N -3.30 1.56 -0.24 2.33 1.74 -0.91 -4.76 116.66 113.09 2wj4 n ARG 148 Ca -0.13 -2.12 -0.07 0.00 -0.77 0.00 0.00 57.85 54.76 2wj4 n ARG 148 Cb 1.02 -1.26 0.04 0.00 -1.02 0.00 0.00 32.46 31.24 2wj4 n ARG 148 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2wj4 h TRP 149 N 0.00 1.05 -0.44 -1.55 5.08 -0.86 -1.28 115.95 117.95 2wj4 h TRP 149 Ca 0.00 -0.10 -0.03 0.00 1.08 0.00 0.00 58.89 59.84 2wj4 h TRP 149 Cb 0.91 -0.31 -0.02 0.00 -3.00 0.00 0.00 29.16 26.74 2wj4 h TRP 149 CO 0.01 0.84 0.16 -0.09 -1.28 0.00 0.00 178.44 178.08 2wj4 h ARG 150 N 0.95 0.67 -0.82 0.12 2.43 -1.86 -0.24 114.38 115.64 2wj4 h ARG 150 Ca 0.22 -0.13 0.08 0.00 -0.81 0.00 0.00 59.98 59.33 2wj4 h ARG 150 Cb 0.27 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 2wj4 h ARG 150 CO -0.01 0.63 0.53 1.49 -1.51 0.00 0.00 179.97 181.10 2wj4 h GLU 151 N 0.58 0.83 0.20 0.20 4.81 -1.86 -0.77 114.58 118.56 2wj4 h GLU 151 Ca 0.15 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2wj4 h GLU 151 Cb 0.22 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 2wj4 h GLU 151 CO -0.01 0.55 -0.27 0.78 -0.73 0.00 0.00 179.01 179.33 2wj4 h GLY 152 N 0.85 -0.56 0.96 1.92 0.00 0.10 -2.54 103.07 103.81 2wj4 h GLY 152 Ca 0.36 0.31 0.05 0.00 0.00 0.00 0.00 47.33 48.05 2wj4 h GLY 152 CO -0.13 -0.24 0.57 -0.91 0.00 0.00 0.00 176.54 175.83 2wj4 h THR 153 N -0.53 1.10 -0.46 4.70 1.35 -0.42 -2.23 112.91 116.43 2wj4 h THR 153 Ca 0.01 -0.35 -0.13 0.00 -0.55 0.00 0.00 66.41 65.39 2wj4 h THR 153 Cb 0.52 -0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 66.91 2wj4 h THR 153 CO -0.10 0.19 -0.23 0.45 -0.25 0.00 0.00 175.52 175.58 2wj4 h HIS 154 N 1.03 1.08 -0.77 4.73 -0.00 -1.10 0.25 115.15 120.37 2wj4 h HIS 154 Ca 0.36 -0.26 -0.03 0.00 -0.00 0.00 0.00 60.37 60.43 2wj4 h HIS 154 Cb 0.11 -0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 27.23 2wj4 h HIS 154 CO -0.00 1.07 0.35 0.78 -0.00 0.00 0.00 177.93 180.13 2wj4 h GLY 155 N 0.90 1.21 0.90 2.45 0.00 -1.16 -1.40 103.07 105.96 2wj4 h GLY 155 Ca 0.10 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 2wj4 h GLY 155 CO 0.07 0.59 0.09 1.41 0.00 0.00 0.00 176.54 178.69 2wj4 h LEU 156 N 1.10 0.41 -0.70 3.11 3.38 -0.98 -2.32 115.31 119.31 2wj4 h LEU 156 Ca 0.26 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.11 2wj4 h LEU 156 Cb 0.15 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 2wj4 h LEU 156 CO -0.03 0.51 0.37 -0.26 0.09 0.00 0.00 178.44 179.11 2wj4 h PHE 157 N 0.30 0.67 -0.36 1.13 0.04 -0.27 -0.38 116.94 118.06 2wj4 h PHE 157 Ca 0.09 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.95 2wj4 h PHE 157 Cb 0.24 -0.20 -0.06 0.00 2.20 0.00 0.00 35.95 38.14 2wj4 h PHE 157 CO 0.00 0.28 0.00 -0.44 -0.60 0.00 0.00 178.31 177.55 2wj4 h ASP 158 N 0.65 -0.14 -0.62 2.17 3.32 -1.09 -0.88 116.42 119.83 2wj4 h ASP 158 Ca 0.33 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.46 2wj4 h ASP 158 Cb 0.29 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 2wj4 h ASP 158 CO -0.23 -0.03 0.38 0.58 -1.72 0.00 0.00 179.24 178.21 2wj4 h VAL 159 N 0.10 1.18 -0.24 -1.35 2.07 -0.62 -1.96 116.25 115.44 2wj4 h VAL 159 Ca 0.18 -0.40 -0.14 0.00 0.82 0.00 0.00 66.70 67.15 2wj4 h VAL 159 Cb 0.24 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2wj4 h VAL 159 CO -0.29 0.19 -0.45 -0.50 0.02 0.00 0.00 177.57 176.54 2wj4 h TRP 160 N 0.84 0.72 0.00 1.57 6.55 -0.75 -2.54 115.95 122.34 2wj4 h TRP 160 Ca 0.22 -0.22 -0.06 0.00 0.95 0.00 0.00 58.89 59.77 2wj4 h TRP 160 Cb -0.03 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 28.12 2wj4 h TRP 160 CO -0.02 0.94 -0.31 -0.07 -1.05 0.00 0.00 178.44 177.93 2wj4 h LEU 161 N 0.48 0.00 0.67 -4.49 3.38 -1.15 -1.68 115.31 112.53 2wj4 h LEU 161 Ca 0.03 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.66 2wj4 h LEU 161 Cb 0.97 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.61 2wj4 h LEU 161 CO 0.09 0.30 -0.50 -0.67 0.09 0.00 0.00 178.44 177.75 2wj4 n ASP 162 N -3.17 -3.03 0.00 -0.43 2.03 -0.74 -0.99 116.55 110.23 2wj4 n ASP 162 Ca 0.03 -0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.01 2wj4 n ASP 162 Cb 0.66 -2.55 0.00 0.00 -0.72 0.00 0.00 41.12 38.50 2wj4 n ASP 162 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wj4 n GLY 163 N -1.02 0.73 3.70 0.27 0.00 -1.26 -5.06 105.19 102.55 2wj4 n GLY 163 Ca -0.00 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 2wj4 n GLY 163 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wj4 s HIS 164 N -2.00 3.22 -1.32 1.61 3.76 -0.16 -5.02 115.29 115.38 2wj4 s HIS 164 Ca 0.00 0.22 -0.10 0.00 -0.15 0.00 0.00 55.06 55.03 2wj4 s HIS 164 Cb 0.00 -1.82 0.14 0.00 1.11 0.00 0.00 32.58 32.01 2wj4 s HIS 164 CO 0.00 0.48 1.95 -3.47 -0.85 0.00 0.00 174.74 172.84 2wj4 n ASP 165 N 2.21 4.83 -4.33 1.40 2.03 -1.26 -4.93 116.55 116.51 2wj4 n ASP 165 Ca -0.19 -3.05 -0.46 0.00 0.52 0.00 0.00 54.79 51.61 2wj4 n ASP 165 Cb 0.54 -1.52 -0.04 0.00 -0.72 0.00 0.00 41.12 39.38 2wj4 n ASP 165 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2wj4 s GLU 166 N 1.00 3.16 0.30 -0.67 2.56 -1.26 -4.93 118.70 118.86 2wj4 s GLU 166 Ca 0.41 -1.84 0.01 0.00 0.00 0.00 0.00 54.97 53.55 2wj4 s GLU 166 Cb 0.10 -4.34 0.54 0.00 2.00 0.00 0.00 34.13 32.43 2wj4 s GLU 166 CO -0.02 -1.36 1.91 -0.22 -0.56 0.00 0.00 175.26 175.02 2wj4 h LYS 167 N 8.66 0.99 -0.24 4.30 3.64 -1.99 -0.58 116.57 131.34 2wj4 h LYS 167 Ca -0.19 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 58.96 2wj4 h LYS 167 Cb 1.08 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2wj4 h LYS 167 CO 0.98 0.65 -0.55 0.00 -2.27 0.00 0.00 179.45 178.27 2wj4 h ARG 168 N 1.02 0.73 -0.07 1.90 3.08 -1.97 -2.34 114.38 116.72 2wj4 h ARG 168 Ca 0.38 -0.46 -0.23 0.00 0.07 0.00 0.00 59.98 59.75 2wj4 h ARG 168 Cb 0.20 0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.32 2wj4 h ARG 168 CO -0.14 1.08 -0.85 0.28 -1.07 0.00 0.00 179.97 179.27 2wj4 h VAL 169 N 0.56 1.30 -0.69 2.04 2.07 -1.78 -2.46 116.25 117.28 2wj4 h VAL 169 Ca 0.01 -2.08 0.06 0.00 0.82 0.00 0.00 66.70 65.52 2wj4 h VAL 169 Cb 1.12 2.21 -0.06 0.00 -1.52 0.00 0.00 31.29 33.05 2wj4 h VAL 169 CO 0.11 0.64 0.39 0.03 0.02 0.00 0.00 177.57 178.77 2wj4 h ARG 170 N 0.39 0.69 -0.78 1.57 3.08 -1.17 -0.68 114.38 117.47 2wj4 h ARG 170 Ca -0.08 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2wj4 h ARG 170 Cb 1.50 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 31.35 2wj4 h ARG 170 CO 0.17 0.46 0.50 1.25 -1.07 0.00 0.00 179.97 181.27 2wj4 h HIS 171 N 0.71 1.00 -0.20 3.04 2.76 -1.34 0.55 115.15 121.68 2wj4 h HIS 171 Ca 0.31 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.41 2wj4 h HIS 171 Cb 0.21 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 28.83 2wj4 h HIS 171 CO -0.08 0.65 -0.20 1.25 -1.30 0.00 0.00 177.93 178.25 2wj4 h HIS 172 N 1.07 0.58 -0.21 5.26 -0.00 -0.81 -0.88 115.15 120.17 2wj4 h HIS 172 Ca 0.28 -0.18 -0.12 0.00 -0.00 0.00 0.00 60.37 60.36 2wj4 h HIS 172 Cb -0.09 -0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 27.20 2wj4 h HIS 172 CO 0.00 0.84 -0.34 -0.07 -0.00 0.00 0.00 177.93 178.36 2wj4 h LEU 173 N 0.16 0.66 0.00 0.26 3.38 -1.02 -0.85 115.31 117.89 2wj4 h LEU 173 Ca 0.03 -0.53 -0.18 0.00 0.09 0.00 0.00 57.88 57.29 2wj4 h LEU 173 Cb 0.74 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2wj4 h LEU 173 CO 0.05 1.06 -1.38 -0.07 0.09 0.00 0.00 178.44 178.19 2wj4 h LEU 174 N 0.28 0.00 0.00 1.67 3.38 -0.98 -3.33 115.31 116.33 2wj4 h LEU 174 Ca 0.02 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 2wj4 h LEU 174 Cb 0.93 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 2wj4 h LEU 174 CO 0.08 0.64 -1.57 1.21 0.09 0.00 0.00 178.44 178.88 2wj4 n GLU 175 N -2.94 0.31 0.21 1.13 4.07 -0.39 -4.32 120.64 118.72 2wj4 n GLU 175 Ca -0.10 0.14 0.09 0.00 -0.06 0.00 0.00 57.16 57.23 2wj4 n GLU 175 Cb 0.86 -1.03 0.36 0.00 -0.06 0.00 0.00 31.44 31.58 2wj4 n GLU 175 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 2wj4 h GLU 176 N -0.54 0.00 -0.53 5.31 5.08 -0.96 -2.13 114.58 120.81 2wj4 h GLU 176 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2wj4 h GLU 176 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2wj4 h GLU 176 CO -0.18 0.23 0.00 -1.33 -1.00 0.00 0.00 179.01 176.73 2wj4 n MET 177 N -3.30 2.59 0.09 2.33 2.81 -0.37 -4.65 117.12 116.62 2wj4 n MET 177 Ca 0.01 -2.41 0.02 0.00 -1.81 0.00 0.00 57.70 53.51 2wj4 n MET 177 Cb 0.49 -1.51 0.37 0.00 -0.71 0.00 0.00 33.22 31.86 2wj4 n MET 177 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wj4 h ALA 178 N 4.13 1.48 -0.01 3.04 0.00 -1.56 -2.62 119.26 123.72 2wj4 h ALA 178 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2wj4 h ALA 178 Cb 0.95 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2wj4 h ALA 178 CO 0.00 0.37 -0.04 -0.25 0.00 0.00 0.00 179.25 179.33 2wj4 n ASP 179 N -4.28 0.56 -4.74 0.00 8.00 -1.26 -4.82 116.55 110.01 2wj4 n ASP 179 Ca -0.00 -0.94 -0.40 0.00 0.71 0.00 0.00 54.79 54.17 2wj4 n ASP 179 Cb 0.26 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.27 2wj4 n ASP 179 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2wj4 s TYR 180 N -2.20 3.70 0.07 1.24 1.51 -0.99 -4.70 117.35 115.98 2wj4 s TYR 180 Ca 0.37 1.38 0.00 0.00 -1.01 0.00 0.00 57.07 57.82 2wj4 s TYR 180 Cb 0.21 -2.78 0.00 0.00 -0.11 0.00 0.00 41.96 39.29 2wj4 s TYR 180 CO 0.40 0.26 0.04 0.41 -1.11 0.00 0.00 175.55 175.55 2wj4 n GLY 181 N 2.52 3.25 0.33 0.71 0.00 -1.26 -4.95 105.19 105.78 2wj4 n GLY 181 Ca -0.03 -2.20 0.10 0.00 0.00 0.00 0.00 46.02 43.90 2wj4 n GLY 181 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2wj4 h TYR 182 N 0.63 0.31 -0.91 1.61 3.20 -1.97 -1.14 116.97 118.71 2wj4 h TYR 182 Ca -0.05 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.89 2wj4 h TYR 182 Cb 0.16 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.26 2wj4 h TYR 182 CO 0.00 0.17 0.58 0.22 -1.64 0.00 0.00 178.16 177.48 2wj4 h ASP 183 N 0.31 0.92 0.19 -2.11 3.58 -1.97 0.15 116.42 117.48 2wj4 h ASP 183 Ca 0.19 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 2wj4 h ASP 183 Cb 0.34 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2wj4 h ASP 183 CO -0.04 0.59 -0.09 0.00 -2.88 0.00 0.00 179.24 176.82 2wj4 h TRP 185 N -0.98 1.18 -0.41 0.00 4.06 -1.18 0.00 115.95 118.62 2wj4 h TRP 185 Ca -0.03 0.03 -0.11 0.00 2.06 0.00 0.00 58.89 60.84 2wj4 h TRP 185 Cb 0.20 -0.39 -0.01 0.00 -1.00 0.00 0.00 29.16 27.95 2wj4 h TRP 185 CO 0.00 0.62 -0.20 0.78 -3.56 0.00 0.00 178.44 176.09 2wj4 h GLY 186 N 1.17 0.87 0.93 1.49 0.00 -0.70 -2.52 103.07 104.31 2wj4 h GLY 186 Ca 0.42 -0.72 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 2wj4 h GLY 186 CO -0.17 0.66 0.13 -0.09 0.00 0.00 0.00 176.54 177.07 2wj4 h ARG 187 N 0.70 0.58 -0.65 4.80 2.43 -1.11 -2.05 114.38 119.10 2wj4 h ARG 187 Ca 0.10 -0.12 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 2wj4 h ARG 187 Cb 0.71 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.11 2wj4 h ARG 187 CO 0.05 0.58 0.30 0.66 -1.51 0.00 0.00 179.97 180.06 2wj4 h SER 188 N 0.47 0.37 -0.41 -3.80 4.64 -1.00 0.18 113.55 114.00 2wj4 h SER 188 Ca 0.12 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2wj4 h SER 188 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 2wj4 h SER 188 CO -0.01 0.22 0.26 1.23 -0.87 0.00 0.00 176.83 177.67 2wj4 h GLY 189 N 0.53 0.58 0.74 -0.77 0.00 -1.30 0.11 103.07 102.96 2wj4 h GLY 189 Ca 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2wj4 h GLY 189 CO -0.26 0.22 -0.00 3.21 0.00 0.00 0.00 176.54 179.71 2wj4 h ARG 190 N 0.55 0.14 -0.40 4.80 3.08 -0.50 -1.82 114.38 120.23 2wj4 h ARG 190 Ca 0.15 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 2wj4 h ARG 190 Cb -0.04 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2wj4 h ARG 190 CO -0.03 0.41 0.13 0.28 -1.07 0.00 0.00 179.97 179.69 2wj4 h VAL 191 N -0.14 1.21 -0.47 2.04 2.07 -0.61 0.58 116.25 120.93 2wj4 h VAL 191 Ca 0.02 -0.68 -0.13 0.00 0.82 0.00 0.00 66.70 66.73 2wj4 h VAL 191 Cb 0.35 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2wj4 h VAL 191 CO 0.00 0.24 -0.22 0.40 0.02 0.00 0.00 177.57 178.02 2wj4 h ILE 192 N 0.50 1.27 -0.26 4.57 2.04 -0.83 0.24 117.51 125.04 2wj4 h ILE 192 Ca 0.13 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.59 2wj4 h ILE 192 Cb 0.24 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 2wj4 h ILE 192 CO -0.01 0.47 0.08 -0.08 0.00 0.00 0.00 178.15 178.62 2wj4 h GLU 193 N 0.82 0.40 -0.46 2.37 4.81 -1.19 -2.14 114.58 119.19 2wj4 h GLU 193 Ca 0.11 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 2wj4 h GLU 193 Cb 0.79 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 2wj4 h GLU 193 CO 0.07 0.47 0.24 0.22 -0.73 0.00 0.00 179.01 179.27 2wj4 h ASP 194 N 0.26 0.34 0.00 1.04 3.58 -0.74 -1.96 116.42 118.94 2wj4 h ASP 194 Ca 0.08 0.02 0.03 0.00 0.42 0.00 0.00 57.03 57.59 2wj4 h ASP 194 Cb 0.23 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 2wj4 h ASP 194 CO -0.00 0.24 -0.26 0.00 -2.88 0.00 0.00 179.24 176.34 2wj4 h ALA 195 N 1.24 -0.35 -0.43 -0.78 0.00 -0.26 0.91 119.26 119.59 2wj4 h ALA 195 Ca 0.20 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2wj4 h ALA 195 Cb 0.10 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2wj4 h ALA 195 CO -0.14 -0.76 0.16 1.88 0.00 0.00 0.00 179.25 180.39 2wj4 h TYR 196 N -0.40 0.62 -0.37 0.00 -1.99 -1.37 -0.68 116.97 112.78 2wj4 h TYR 196 Ca 0.06 -0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.73 2wj4 h TYR 196 Cb 0.48 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.00 2wj4 h TYR 196 CO -0.29 0.50 0.10 0.78 -0.00 0.00 0.00 178.16 179.24 2wj4 h GLY 197 N 0.78 0.64 1.52 3.88 0.00 -0.46 0.15 103.07 109.59 2wj4 h GLY 197 Ca 0.15 -0.40 -0.29 0.00 0.00 0.00 0.00 47.33 46.79 2wj4 h GLY 197 CO -0.01 0.37 -1.31 0.07 0.00 0.00 0.00 176.54 175.66 2wj4 h ARG 198 N 0.46 0.36 0.00 4.80 0.11 -0.78 -3.38 114.38 115.95 2wj4 h ARG 198 Ca 0.12 -0.61 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2wj4 h ARG 198 Cb 0.29 0.22 0.00 0.00 1.11 0.00 0.00 29.97 31.60 2wj4 h ARG 198 CO 0.00 1.29 -0.83 0.09 0.10 0.00 0.00 179.97 180.61 2wj4 n ASN 199 N -3.59 0.81 0.00 0.08 4.13 -0.27 -5.01 115.26 111.40 2wj4 n ASN 199 Ca -0.11 -0.87 0.00 0.00 1.68 0.00 0.00 54.58 55.28 2wj4 n ASN 199 Cb 1.04 1.03 0.00 0.00 -1.54 0.00 0.00 39.78 40.31 2wj4 n ASN 199 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wj4 n GLY 200 N 1.40 2.05 3.70 7.41 0.00 0.04 -3.81 105.19 115.98 2wj4 n GLY 200 Ca 0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 2wj4 n GLY 200 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wj4 s SER 201 N 0.00 -0.25 0.39 1.61 1.04 -1.26 -4.47 113.70 110.75 2wj4 s SER 201 Ca 0.00 -0.34 0.07 0.00 0.48 0.00 0.00 55.95 56.16 2wj4 s SER 201 Cb 0.00 0.52 0.81 0.00 0.10 0.00 0.00 66.02 67.44 2wj4 s SER 201 CO 0.00 -0.93 2.00 -0.65 0.98 0.00 0.00 173.24 174.64 2wj4 h PRO 202 N 2.00 0.64 -0.24 4.02 0.11 -1.80 -1.32 132.00 135.41 2wj4 h PRO 202 Ca -0.24 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 2wj4 h PRO 202 Cb 1.24 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2wj4 h PRO 202 CO 0.27 0.42 -0.17 0.52 -0.21 0.00 0.00 178.00 178.83 2wj4 h MET 203 N 0.66 0.54 -0.41 1.05 2.86 -1.93 -0.95 114.93 116.75 2wj4 h MET 203 Ca 0.25 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2wj4 h MET 203 Cb 0.16 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 2wj4 h MET 203 CO -0.07 0.83 0.24 0.37 1.06 0.00 0.00 176.91 179.34 2wj4 h GLN 204 N 0.25 0.57 -0.49 1.72 5.75 -1.77 -0.54 115.11 120.59 2wj4 h GLN 204 Ca 0.05 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2wj4 h GLN 204 Cb 0.70 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.11 2wj4 h GLN 204 CO 0.05 0.44 0.32 1.98 -2.65 0.00 0.00 178.83 178.97 2wj4 h MET 205 N 0.54 0.65 -0.44 1.69 4.05 -1.14 -2.00 114.93 118.28 2wj4 h MET 205 Ca 0.15 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.49 2wj4 h MET 205 Cb 0.03 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.67 2wj4 h MET 205 CO -0.03 0.44 0.15 0.52 0.23 0.00 0.00 176.91 178.22 2wj4 h MET 206 N 0.66 0.67 0.00 0.39 2.86 -1.08 -2.77 114.93 115.66 2wj4 h MET 206 Ca 0.18 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2wj4 h MET 206 Cb -0.07 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.49 2wj4 h MET 206 CO -0.04 0.64 0.00 0.00 1.06 0.00 0.00 176.91 178.57 2wj4 h ALA 207 N 1.00 1.00 -0.03 6.32 0.00 -0.92 -2.30 119.26 124.32 2wj4 h ALA 207 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wj4 h ALA 207 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2wj4 h ALA 207 CO -0.01 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.33 2wj4 n ASN 208 N -3.08 2.14 -4.69 0.00 3.02 -0.77 -4.96 115.26 106.93 2wj4 n ASN 208 Ca -0.01 -1.71 -0.43 0.00 -0.03 0.00 0.00 54.58 52.39 2wj4 n ASN 208 Cb 0.18 -0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.32 2wj4 n ASN 208 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2wj4 n LEU 209 N 0.67 3.36 -0.23 3.41 4.77 -0.87 -4.89 117.00 123.22 2wj4 n LEU 209 Ca 0.17 1.18 -0.00 0.00 -0.03 0.00 0.00 56.01 57.33 2wj4 n LEU 209 Cb 0.46 -1.46 0.11 0.00 -2.33 0.00 0.00 43.42 40.20 2wj4 n LEU 209 CO 0.16 -0.50 1.07 0.74 -1.33 0.00 0.00 177.39 177.53 2wj4 h THR 210 N 2.72 0.91 -3.35 -5.08 2.02 -1.93 -3.35 112.91 104.85 2wj4 h THR 210 Ca -0.45 -0.22 -0.63 0.00 0.77 0.00 0.00 66.41 65.88 2wj4 h THR 210 Cb 1.28 0.22 -0.40 0.00 -1.74 0.00 0.00 68.15 67.51 2wj4 h THR 210 CO 0.67 0.12 -0.72 -0.54 0.37 0.00 0.00 175.52 175.42 2wj4 s LYS 211 N -6.08 1.32 0.58 6.66 -0.14 -1.26 -5.11 119.74 115.71 2wj4 s LYS 211 Ca -0.13 -1.81 -0.18 0.00 -1.36 0.00 0.00 55.97 52.49 2wj4 s LYS 211 Cb 0.17 -2.73 -0.04 0.00 -1.68 0.00 0.00 37.83 33.55 2wj4 s LYS 211 CO 0.76 -1.03 1.10 0.95 -0.76 0.00 0.00 175.35 176.37 2wj4 s THR 212 N 0.78 3.40 0.21 2.17 -4.23 -1.26 -4.87 115.64 111.84 2wj4 s THR 212 Ca 0.13 0.77 -0.23 0.00 -1.18 0.00 0.00 61.69 61.18 2wj4 s THR 212 Cb -0.21 -3.28 0.04 0.00 1.34 0.00 0.00 72.50 70.40 2wj4 s THR 212 CO -0.10 -0.29 0.83 0.00 -0.54 0.00 0.00 174.62 174.52 2wj4 s ARG 213 N -3.64 1.48 0.04 3.99 1.70 -1.26 -5.10 118.95 116.16 2wj4 s ARG 213 Ca 0.69 -0.81 -0.30 0.00 -0.47 0.00 0.00 55.73 54.84 2wj4 s ARG 213 Cb -0.20 0.51 -0.09 0.00 -0.57 0.00 0.00 34.95 34.60 2wj4 s ARG 213 CO 0.32 -0.68 1.93 -2.14 -1.08 0.00 0.00 175.30 173.65 2wj4 s PRO 214 N -3.61 4.14 -0.06 3.89 0.02 -1.26 -4.77 135.00 133.35 2wj4 s PRO 214 Ca 0.11 2.58 0.02 0.00 0.02 0.00 0.00 61.00 63.74 2wj4 s PRO 214 Cb -0.04 -4.07 0.01 0.00 0.02 0.00 0.00 34.50 30.43 2wj4 s PRO 214 CO 0.04 -0.93 -0.12 0.42 -0.33 0.00 0.00 177.00 176.07 2wj4 s ILE 215 N 4.17 1.15 -0.15 2.83 1.01 -0.48 -1.40 121.20 128.33 2wj4 s ILE 215 Ca 0.86 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.02 2wj4 s ILE 215 Cb -0.43 -1.05 -0.00 0.00 0.01 0.00 0.00 42.46 41.00 2wj4 s ILE 215 CO 0.40 0.36 -0.16 -0.60 0.00 0.00 0.00 174.94 174.94 2wj4 s ARG 216 N 0.62 3.20 -0.43 2.79 3.52 -1.04 -1.09 118.95 126.52 2wj4 s ARG 216 Ca -0.14 -0.76 -0.23 0.00 -0.13 0.00 0.00 55.73 54.48 2wj4 s ARG 216 Cb -0.15 -2.61 0.02 0.00 -1.56 0.00 0.00 34.95 30.65 2wj4 s ARG 216 CO 0.04 0.01 0.78 -1.58 -0.81 0.00 0.00 175.30 173.73 2wj4 s HIS 217 N 0.82 3.02 -0.18 5.12 5.65 0.12 -1.85 115.29 127.98 2wj4 s HIS 217 Ca -0.05 0.23 -0.05 0.00 0.25 0.00 0.00 55.06 55.43 2wj4 s HIS 217 Cb -0.15 -3.59 -0.03 0.00 -1.18 0.00 0.00 32.58 27.62 2wj4 s HIS 217 CO -0.00 -0.93 -0.00 0.96 -0.65 0.00 0.00 174.74 174.11 2wj4 s ILE 218 N 3.23 4.07 0.04 0.89 -4.36 0.03 -1.34 121.20 123.75 2wj4 s ILE 218 Ca 0.30 -0.28 -0.20 0.00 -0.26 0.00 0.00 60.65 60.21 2wj4 s ILE 218 Cb -0.12 -2.82 0.04 0.00 1.25 0.00 0.00 42.46 40.81 2wj4 s ILE 218 CO 0.21 0.46 0.44 0.72 0.24 0.00 0.00 174.94 177.01 2wj4 s PHE 219 N 0.67 -0.32 -0.07 1.37 -0.71 -0.90 -0.65 117.98 117.37 2wj4 s PHE 219 Ca -0.00 0.33 0.10 0.00 -1.04 0.00 0.00 56.93 56.32 2wj4 s PHE 219 Cb -0.14 0.25 -0.15 0.00 -1.21 0.00 0.00 43.02 41.77 2wj4 s PHE 219 CO 0.02 -0.58 0.12 0.43 -1.34 0.00 0.00 175.22 173.87 2wj4 n SER 220 N 0.54 2.32 -4.12 1.98 7.64 -1.26 -1.00 113.62 119.71 2wj4 n SER 220 Ca -0.19 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.61 2wj4 n SER 220 Cb 0.60 1.05 -0.10 0.00 -1.01 0.00 0.00 64.21 64.75 2wj4 n SER 220 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wj4 s GLN 221 N -2.47 0.72 0.71 1.43 -2.07 -1.26 -4.28 119.66 112.43 2wj4 s GLN 221 Ca -0.05 -1.29 -0.16 0.00 -1.82 0.00 0.00 55.36 52.04 2wj4 s GLN 221 Cb 0.05 0.16 0.03 0.00 -1.09 0.00 0.00 33.01 32.15 2wj4 s GLN 221 CO 0.46 -0.13 1.23 -2.14 -1.32 0.00 0.00 175.29 173.39 2wj4 s PRO 222 N -3.94 2.24 0.00 9.60 0.02 -1.26 -4.74 135.00 136.92 2wj4 s PRO 222 Ca 0.12 1.86 0.24 0.00 0.02 0.00 0.00 61.00 63.23 2wj4 s PRO 222 Cb 0.08 -1.83 0.24 0.00 0.02 0.00 0.00 34.50 33.00 2wj4 s PRO 222 CO -0.06 -1.79 1.23 0.25 -0.33 0.00 0.00 177.00 176.30 2wj4 n THR 223 N -2.49 0.00 -2.58 0.99 -2.24 -1.26 -4.75 114.28 101.96 2wj4 n THR 223 Ca 0.14 -0.10 -0.33 0.00 -2.27 0.00 0.00 64.05 61.49 2wj4 n THR 223 Cb 0.50 0.74 -0.04 0.00 -2.10 0.00 0.00 70.33 69.42 2wj4 n THR 223 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wj4 s GLU 224 N -2.74 3.95 0.51 -0.78 8.01 -1.26 -4.94 118.70 121.44 2wj4 s GLU 224 Ca 0.15 1.19 0.25 0.00 0.01 0.00 0.00 54.97 56.57 2wj4 s GLU 224 Cb 0.18 -2.13 1.39 0.00 -4.31 0.00 0.00 34.13 29.26 2wj4 s GLU 224 CO 0.67 -0.29 2.06 -1.00 0.01 0.00 0.00 175.26 176.72 2wj4 h PRO 225 N 1.48 0.00 0.00 0.39 0.13 -2.00 -0.60 132.00 131.40 2wj4 h PRO 225 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 2wj4 h PRO 225 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2wj4 h PRO 225 CO 0.60 0.13 -0.22 0.93 -0.23 0.00 0.00 178.00 179.21 2wj4 h GLU 226 N 0.00 0.00 0.13 0.86 3.07 -1.98 -1.67 114.58 114.98 2wj4 h GLU 226 Ca -0.00 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.63 2wj4 h GLU 226 Cb 0.32 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.26 2wj4 h GLU 226 CO 0.02 0.22 -0.95 -0.92 -1.40 0.00 0.00 179.01 175.97 2wj4 h TYR 227 N 0.00 0.72 -0.79 4.33 3.20 -1.44 -3.13 116.97 119.86 2wj4 h TYR 227 Ca -0.00 -0.48 0.14 0.00 3.14 0.00 0.00 58.73 61.52 2wj4 h TYR 227 Cb 0.58 -0.05 -0.09 0.00 1.54 0.00 0.00 36.73 38.72 2wj4 h TYR 227 CO 0.00 1.35 0.37 1.49 -1.64 0.00 0.00 178.16 179.73 2wj4 h GLU 228 N -0.11 0.53 -0.56 1.82 4.22 -1.44 -2.83 114.58 116.20 2wj4 h GLU 228 Ca -0.15 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.25 2wj4 h GLU 228 Cb 1.71 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.81 2wj4 h GLU 228 CO 0.18 0.35 0.35 -0.22 -2.18 0.00 0.00 179.01 177.50 2wj4 h LYS 229 N 0.55 0.76 -0.01 1.92 3.64 -1.34 0.21 116.57 122.29 2wj4 h LYS 229 Ca 0.42 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.66 2wj4 h LYS 229 Cb 0.59 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2wj4 h LYS 229 CO -0.36 0.53 -0.39 -0.84 -2.27 0.00 0.00 179.45 176.12 2wj4 h ILE 230 N 0.76 1.29 -0.24 2.00 3.07 -1.46 -0.45 117.51 122.47 2wj4 h ILE 230 Ca 0.20 -1.37 -0.05 0.00 1.55 0.00 0.00 64.86 65.20 2wj4 h ILE 230 Cb -0.04 1.72 -0.01 0.00 -0.27 0.00 0.00 36.82 38.22 2wj4 h ILE 230 CO -0.04 0.39 -0.04 0.78 -1.05 0.00 0.00 178.15 178.20 2wj4 h ASN 231 N 0.03 0.45 -0.19 2.16 2.35 -1.02 -1.84 115.58 117.52 2wj4 h ASN 231 Ca -0.00 -0.35 -0.13 0.00 -0.55 0.00 0.00 56.30 55.28 2wj4 h ASN 231 Cb 0.71 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 2wj4 h ASN 231 CO 0.05 0.69 -0.33 0.77 -1.65 0.00 0.00 177.43 176.96 2wj4 h SER 232 N 0.20 0.72 -0.50 5.81 4.64 -0.84 -0.43 113.55 123.15 2wj4 h SER 232 Ca 0.06 -0.30 -0.09 0.00 -0.47 0.00 0.00 61.79 61.00 2wj4 h SER 232 Cb 0.48 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 2wj4 h SER 232 CO 0.02 0.99 -0.03 0.44 -0.87 0.00 0.00 176.83 177.39 2wj4 h ASP 233 N 0.59 0.89 -0.64 4.97 3.32 -1.15 -0.30 116.42 124.11 2wj4 h ASP 233 Ca 0.06 -0.32 -0.06 0.00 0.02 0.00 0.00 57.03 56.74 2wj4 h ASP 233 Cb 0.84 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 2wj4 h ASP 233 CO 0.07 1.00 0.18 0.15 -1.72 0.00 0.00 179.24 178.92 2wj4 h PHE 234 N 0.76 1.04 0.00 4.55 3.04 -1.14 -2.87 116.94 122.32 2wj4 h PHE 234 Ca 0.14 -0.11 -0.07 0.00 3.98 0.00 0.00 57.97 61.91 2wj4 h PHE 234 Cb 0.56 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 2wj4 h PHE 234 CO 0.04 0.86 -0.33 0.00 -2.02 0.00 0.00 178.31 176.85 2wj4 h ALA 235 N 1.07 1.16 -0.01 2.41 0.00 -0.94 -2.51 119.26 120.43 2wj4 h ALA 235 Ca 0.20 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 2wj4 h ALA 235 Cb 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2wj4 h ALA 235 CO -0.00 0.42 -0.68 0.93 0.00 0.00 0.00 179.25 179.92 2wj4 h GLU 236 N 0.00 0.06 0.00 0.00 5.08 -0.91 -3.22 114.58 115.59 2wj4 h GLU 236 Ca -0.00 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 2wj4 h GLU 236 Cb 0.73 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2wj4 h GLU 236 CO 0.04 0.71 -0.77 0.37 -1.00 0.00 0.00 179.01 178.36 2wj4 h GLN 237 N 0.04 0.00 -4.21 2.33 4.15 -1.30 -3.45 115.11 112.68 2wj4 h GLN 237 Ca -0.01 0.00 -0.60 0.00 0.77 0.00 0.00 58.65 58.81 2wj4 h GLN 237 Cb 1.20 0.00 -0.39 0.00 0.21 0.00 0.00 27.48 28.50 2wj4 h GLN 237 CO 0.09 0.50 -0.77 -1.01 -1.93 0.00 0.00 178.83 175.71 2wj4 s HIS 238 N -2.93 2.29 0.54 3.99 3.76 -0.96 -5.00 115.29 116.99 2wj4 s HIS 238 Ca 0.02 -1.77 0.20 0.00 -0.15 0.00 0.00 55.06 53.36 2wj4 s HIS 238 Cb 0.08 -1.65 1.42 0.00 1.11 0.00 0.00 32.58 33.54 2wj4 s HIS 238 CO 0.77 -0.78 2.18 -1.35 -0.85 0.00 0.00 174.74 174.70 2wj4 h PRO 239 N 7.97 0.00 0.00 8.40 0.11 -1.87 -1.50 132.00 145.11 2wj4 h PRO 239 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2wj4 h PRO 239 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2wj4 h PRO 239 CO 0.42 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.54 2wj4 n TRP 240 N -4.35 0.16 -3.98 0.65 4.27 -1.26 -4.81 117.44 108.12 2wj4 n TRP 240 Ca -0.03 0.05 -0.35 0.00 -3.89 0.00 0.00 57.50 53.28 2wj4 n TRP 240 Cb 0.10 -0.58 -0.09 0.00 -1.36 0.00 0.00 31.31 29.38 2wj4 n TRP 240 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2wj4 s PHE 241 N -3.02 3.33 0.27 -2.67 5.36 -0.57 -1.39 117.98 119.30 2wj4 s PHE 241 Ca 0.13 0.21 0.02 0.00 -0.96 0.00 0.00 56.93 56.33 2wj4 s PHE 241 Cb 0.17 -2.04 -0.04 0.00 -0.34 0.00 0.00 43.02 40.77 2wj4 s PHE 241 CO 0.52 0.32 0.12 -1.54 -1.46 0.00 0.00 175.22 173.18 2wj4 s SER 242 N -0.02 1.23 0.11 6.13 1.04 -0.25 -4.68 113.70 117.27 2wj4 s SER 242 Ca 0.07 -1.45 -0.13 0.00 0.48 0.00 0.00 55.95 54.92 2wj4 s SER 242 Cb -0.12 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.29 2wj4 s SER 242 CO 0.01 -0.80 0.30 -0.72 0.98 0.00 0.00 173.24 173.01 2wj4 s TYR 243 N -3.73 -0.03 -0.08 5.02 1.13 -1.26 -0.71 117.35 117.69 2wj4 s TYR 243 Ca 0.37 -0.34 -0.03 0.00 -1.41 0.00 0.00 57.07 55.65 2wj4 s TYR 243 Cb 0.07 0.11 0.05 0.00 -1.10 0.00 0.00 41.96 41.08 2wj4 s TYR 243 CO 0.15 -0.63 0.17 0.00 -2.51 0.00 0.00 175.55 172.73 2wj4 s ALA 244 N -3.83 -0.25 -0.35 9.51 0.00 -0.45 -4.92 121.76 121.47 2wj4 s ALA 244 Ca 0.04 0.65 -0.26 0.00 0.00 0.00 0.00 51.96 52.39 2wj4 s ALA 244 Cb 0.03 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.45 2wj4 s ALA 244 CO -0.11 -0.43 0.96 0.21 0.00 0.00 0.00 175.76 176.39 2wj4 s LYS 245 N 1.91 3.93 0.28 0.00 2.20 -1.26 -2.12 119.74 124.67 2wj4 s LYS 245 Ca -0.02 0.73 0.17 0.00 -0.36 0.00 0.00 55.97 56.50 2wj4 s LYS 245 Cb -0.12 -3.77 0.09 0.00 -1.51 0.00 0.00 37.83 32.52 2wj4 s LYS 245 CO -0.06 -0.90 1.37 -0.07 -0.36 0.00 0.00 175.35 175.33 2wj4 h LEU 246 N 10.01 0.00 0.89 5.43 3.38 -1.43 -3.48 115.31 130.11 2wj4 h LEU 246 Ca -0.22 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.50 2wj4 h LEU 246 Cb 1.08 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 2wj4 h LEU 246 CO 0.99 0.37 -0.25 0.61 0.09 0.00 0.00 178.44 180.25 2wj4 n GLY 247 N 1.22 0.91 3.89 0.83 0.00 -1.26 -5.01 105.19 105.77 2wj4 n GLY 247 Ca 0.01 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 2wj4 n GLY 247 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wj4 s GLY 248 N -2.76 1.62 0.15 -0.02 0.00 -1.26 -5.01 107.32 100.04 2wj4 s GLY 248 Ca 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 44.72 44.33 2wj4 s GLY 248 CO 0.00 -0.09 1.34 -0.56 0.00 0.00 0.00 173.10 173.79 2wj4 h PRO 249 N -0.50 0.11 -5.39 2.90 0.13 -1.95 -3.46 132.00 123.85 2wj4 h PRO 249 Ca -0.45 -0.15 -0.66 0.00 -0.87 0.00 0.00 66.00 63.88 2wj4 h PRO 249 Cb 1.25 0.05 -0.12 0.00 0.13 0.00 0.00 31.00 32.31 2wj4 h PRO 249 CO 0.63 0.96 -0.50 0.95 -0.23 0.00 0.00 178.00 179.81 2wj4 s THR 250 N -3.02 1.40 -0.59 1.56 -4.23 -1.26 -4.72 115.64 104.78 2wj4 s THR 250 Ca -0.01 -1.92 0.14 0.00 -1.18 0.00 0.00 61.69 58.72 2wj4 s THR 250 Cb 0.10 -2.32 0.14 0.00 1.34 0.00 0.00 72.50 71.76 2wj4 s THR 250 CO 0.82 0.00 1.44 1.57 -0.54 0.00 0.00 174.62 177.92 2wj4 n HIS 251 N -1.28 0.43 -3.39 3.99 -0.00 -0.63 -4.29 115.22 110.05 2wj4 n HIS 251 Ca -0.14 0.21 -0.32 0.00 -0.00 0.00 0.00 57.72 57.47 2wj4 n HIS 251 Cb 0.67 -0.83 -0.06 0.00 -0.00 0.00 0.00 29.99 29.76 2wj4 n HIS 251 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 2wj4 n PHE 252 N -1.93 3.38 0.24 1.57 3.01 -1.26 -4.84 117.46 117.62 2wj4 n PHE 252 Ca 0.00 -3.80 0.06 0.00 1.01 0.00 0.00 57.45 54.72 2wj4 n PHE 252 Cb 0.07 -0.80 0.55 0.00 -0.01 0.00 0.00 39.48 39.29 2wj4 n PHE 252 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2wj4 h PRO 253 N 4.79 0.00 -0.09 -1.08 0.13 -1.93 -0.25 132.00 133.57 2wj4 h PRO 253 Ca 0.19 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.35 2wj4 h PRO 253 Cb 0.67 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 2wj4 h PRO 253 CO 0.95 0.12 0.08 0.00 -0.23 0.00 0.00 178.00 178.92 2wj4 h ALA 254 N 1.88 1.90 0.03 -0.56 0.00 -1.90 0.70 119.26 121.31 2wj4 h ALA 254 Ca -0.00 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 2wj4 h ALA 254 Cb 0.22 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2wj4 h ALA 254 CO 0.02 -0.12 -1.59 -0.89 0.00 0.00 0.00 179.25 176.67 2wj4 n ILE 255 N -4.22 1.60 0.10 0.00 5.41 -0.24 -3.93 119.36 118.08 2wj4 n ILE 255 Ca -0.01 -0.23 0.11 0.00 1.00 0.00 0.00 62.75 63.62 2wj4 n ILE 255 Cb 0.18 -1.93 -0.07 0.00 -0.71 0.00 0.00 39.64 37.11 2wj4 n ILE 255 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2wj4 n ASP 256 N -4.14 0.47 -3.17 4.38 5.68 -0.40 -4.33 116.55 115.04 2wj4 n ASP 256 Ca -0.34 0.13 -0.20 0.00 -0.50 0.00 0.00 54.79 53.88 2wj4 n ASP 256 Cb 0.80 1.14 -0.04 0.00 -1.14 0.00 0.00 41.12 41.88 2wj4 n ASP 256 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2wj4 n VAL 257 N -2.43 0.06 -0.03 2.12 0.24 0.22 -4.92 118.33 113.59 2wj4 n VAL 257 Ca -0.02 -4.60 -0.02 0.00 -2.04 0.00 0.00 64.34 57.67 2wj4 n VAL 257 Cb 0.55 -0.64 0.25 0.00 -1.47 0.00 0.00 33.84 32.52 2wj4 n VAL 257 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2wj4 h PRO 258 N 3.17 0.59 0.00 7.34 0.13 -1.69 -2.26 132.00 139.28 2wj4 h PRO 258 Ca 0.10 -0.15 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 2wj4 h PRO 258 Cb 0.91 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 2wj4 h PRO 258 CO 0.53 0.64 -0.16 0.38 -0.23 0.00 0.00 178.00 179.15 2wj4 h ASP 259 N 0.56 0.00 0.11 1.44 2.03 -1.91 0.04 116.42 118.69 2wj4 h ASP 259 Ca 0.11 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.26 2wj4 h ASP 259 Cb 0.40 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.92 2wj4 h ASP 259 CO 0.02 0.16 -0.72 0.03 -1.03 0.00 0.00 179.24 177.70 2wj4 h ARG 260 N 0.00 0.22 -0.69 4.15 2.47 -1.80 -2.93 114.38 115.81 2wj4 h ARG 260 Ca -0.00 -0.38 0.08 0.00 -1.26 0.00 0.00 59.98 58.42 2wj4 h ARG 260 Cb 0.30 0.14 -0.07 0.00 -1.65 0.00 0.00 29.97 28.69 2wj4 h ARG 260 CO 0.02 1.18 0.35 0.00 0.56 0.00 0.00 179.97 182.09 2wj4 h ALA 261 N 0.04 0.94 -0.84 0.04 0.00 -1.36 -2.78 119.26 115.30 2wj4 h ALA 261 Ca -0.14 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2wj4 h ALA 261 Cb 1.52 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 2wj4 h ALA 261 CO 0.10 -0.03 0.53 0.00 0.00 0.00 0.00 179.25 179.85 2wj4 h ALA 262 N 1.40 1.13 0.00 0.00 0.00 -1.04 -2.58 119.26 118.18 2wj4 h ALA 262 Ca 0.33 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 2wj4 h ALA 262 Cb 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2wj4 h ALA 262 CO -0.24 0.32 -0.35 0.28 0.00 0.00 0.00 179.25 179.25 2wj4 h VAL 263 N 1.00 1.19 -0.07 0.00 2.07 -1.29 0.95 116.25 120.10 2wj4 h VAL 263 Ca 0.35 -1.23 -0.21 0.00 0.82 0.00 0.00 66.70 66.43 2wj4 h VAL 263 Cb 0.09 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2wj4 h VAL 263 CO -0.14 0.35 -0.83 0.45 0.02 0.00 0.00 177.57 177.42 2wj4 h HIS 264 N 0.00 0.74 -0.17 1.57 3.86 -1.47 -2.02 115.15 117.66 2wj4 h HIS 264 Ca -0.00 -0.35 -0.04 0.00 -1.16 0.00 0.00 60.37 58.81 2wj4 h HIS 264 Cb 0.65 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 2wj4 h HIS 264 CO 0.00 1.15 -0.07 0.82 0.86 0.00 0.00 177.93 180.69 2wj4 h ILE 265 N 0.34 1.30 -0.98 2.45 2.04 -1.06 -2.22 117.51 119.38 2wj4 h ILE 265 Ca -0.06 -1.08 0.04 0.00 1.00 0.00 0.00 64.86 64.76 2wj4 h ILE 265 Cb 1.44 1.67 -0.06 0.00 -0.74 0.00 0.00 36.82 39.12 2wj4 h ILE 265 CO 0.15 0.32 0.64 0.03 0.00 0.00 0.00 178.15 179.29 2wj4 h ARG 266 N 0.03 1.19 -0.40 2.37 3.08 -0.88 0.43 114.38 120.20 2wj4 h ARG 266 Ca 0.04 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2wj4 h ARG 266 Cb 0.53 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2wj4 h ARG 266 CO 0.02 0.79 0.26 1.49 -1.07 0.00 0.00 179.97 181.46 2wj4 h GLU 267 N 1.23 0.53 -0.17 0.04 4.81 -1.26 0.91 114.58 120.66 2wj4 h GLU 267 Ca 0.39 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.39 2wj4 h GLU 267 Cb 0.02 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2wj4 h GLU 267 CO -0.13 0.36 -0.67 0.74 -0.73 0.00 0.00 179.01 178.58 2wj4 h PHE 268 N 0.54 0.88 -0.37 0.92 -1.00 -1.23 -1.60 116.94 115.08 2wj4 h PHE 268 Ca 0.15 -0.36 -0.01 0.00 2.81 0.00 0.00 57.97 60.56 2wj4 h PHE 268 Cb -0.05 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.34 2wj4 h PHE 268 CO -0.05 1.15 0.21 0.00 -1.61 0.00 0.00 178.31 178.01 2wj4 h ALA 269 N 0.76 1.66 0.13 2.45 0.00 -0.68 -2.23 119.26 121.35 2wj4 h ALA 269 Ca -0.02 -0.06 -0.30 0.00 0.00 0.00 0.00 54.91 54.53 2wj4 h ALA 269 Cb 1.26 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.93 2wj4 h ALA 269 CO 0.13 0.29 -1.26 1.15 0.00 0.00 0.00 179.25 179.56 2wj4 h THR 270 N 0.52 1.32 -0.86 0.00 2.02 -0.67 -2.56 112.91 112.67 2wj4 h THR 270 Ca 0.13 -2.58 0.05 0.00 0.77 0.00 0.00 66.41 64.79 2wj4 h THR 270 Cb 0.01 2.76 -0.06 0.00 -1.74 0.00 0.00 68.15 69.13 2wj4 h THR 270 CO -0.02 0.78 0.54 0.00 0.37 0.00 0.00 175.52 177.19 2wj4 h ALA 271 N 0.35 1.17 -0.54 6.16 0.00 -1.26 -1.49 119.26 123.64 2wj4 h ALA 271 Ca -0.18 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2wj4 h ALA 271 Cb 1.94 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 2wj4 h ALA 271 CO 0.23 0.33 0.07 0.82 0.00 0.00 0.00 179.25 180.71 2wj4 h ILE 272 N 1.02 1.26 -0.54 0.00 2.04 -1.39 -3.16 117.51 116.74 2wj4 h ILE 272 Ca 0.36 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 2wj4 h ILE 272 Cb 0.10 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2wj4 h ILE 272 CO -0.15 0.36 0.24 0.03 0.00 0.00 0.00 178.15 178.63 2wj4 h ARG 273 N 0.79 0.79 -2.31 2.37 3.08 -1.20 -1.06 114.38 116.84 2wj4 h ARG 273 Ca 0.16 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 2wj4 h ARG 273 Cb 0.43 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2wj4 h ARG 273 CO 0.01 0.66 -0.02 1.04 -1.07 0.00 0.00 179.97 180.60 2wj4 n GLN 274 N -4.55 1.02 -0.73 0.04 6.02 -0.58 -5.11 117.38 113.48 2wj4 n GLN 274 Ca 0.03 -0.43 0.00 0.00 -0.01 0.00 0.00 57.00 56.58 2wj4 n GLN 274 Cb 0.13 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.75 2wj4 n GLN 274 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46