#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wj4 n ASP 3 N 0.00 0.00 0.29 3.42 9.92 -1.26 -2.19 116.55 126.73 2wj4 n ASP 3 Ca 0.00 0.32 0.18 0.00 -0.53 0.00 0.00 54.79 54.76 2wj4 n ASP 3 Cb 0.00 -0.40 0.93 0.00 -0.64 0.00 0.00 41.12 41.00 2wj4 n ASP 3 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2wj4 h THR 4 N 0.00 0.13 -0.08 -3.53 2.02 -2.04 -2.81 112.91 106.60 2wj4 h THR 4 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2wj4 h THR 4 Cb 0.18 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 2wj4 h THR 4 CO 0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 2wj4 n TYR 5 N -3.21 0.08 -2.89 3.16 0.53 -0.93 -4.99 117.16 108.92 2wj4 n TYR 5 Ca -0.01 -0.06 -0.41 0.00 -1.02 0.00 0.00 57.90 56.41 2wj4 n TYR 5 Cb 0.30 -0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 38.57 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 -1.36 4.35 0.39 7.72 2.96 -1.06 -1.62 118.68 130.05 2wj4 s LEU 6 Ca 0.21 1.42 0.03 0.00 -0.22 0.00 0.00 54.13 55.58 2wj4 s LEU 6 Cb 0.15 -3.31 -0.04 0.00 0.50 0.00 0.00 46.19 43.49 2wj4 s LEU 6 CO 0.21 -0.18 0.10 -1.00 -1.32 0.00 0.00 176.35 174.16 2wj4 s HIS 7 N 0.87 1.85 -0.04 5.38 3.76 0.12 -4.98 115.29 122.26 2wj4 s HIS 7 Ca 0.44 -1.15 -0.04 0.00 -0.15 0.00 0.00 55.06 54.16 2wj4 s HIS 7 Cb -0.19 -1.24 0.01 0.00 1.11 0.00 0.00 32.58 32.27 2wj4 s HIS 7 CO 0.23 -0.16 0.11 -2.00 -0.85 0.00 0.00 174.74 172.07 2wj4 s GLU 8 N -3.78 0.18 0.06 1.40 2.12 -1.26 -1.74 118.70 115.67 2wj4 s GLU 8 Ca 0.26 0.07 -0.13 0.00 0.36 0.00 0.00 54.97 55.52 2wj4 s GLU 8 Cb 0.04 0.08 0.02 0.00 0.26 0.00 0.00 34.13 34.53 2wj4 s GLU 8 CO 0.14 -0.03 0.30 -0.08 -0.54 0.00 0.00 175.26 175.05 2wj4 s THR 9 N -0.15 0.09 -0.01 -1.70 -1.32 0.12 -4.97 115.64 107.69 2wj4 s THR 9 Ca -0.02 -0.72 -0.29 0.00 -1.21 0.00 0.00 61.69 59.45 2wj4 s THR 9 Cb -0.02 -1.01 -0.03 0.00 -1.51 0.00 0.00 72.50 69.92 2wj4 s THR 9 CO 0.00 -0.40 0.92 -0.22 -2.21 0.00 0.00 174.62 172.71 2wj4 s LEU 10 N -2.25 4.36 -0.24 9.08 2.96 -1.26 0.68 118.68 132.02 2wj4 s LEU 10 Ca -0.03 1.56 -0.02 0.00 -0.22 0.00 0.00 54.13 55.42 2wj4 s LEU 10 Cb 0.00 -3.46 0.07 0.00 0.50 0.00 0.00 46.19 43.30 2wj4 s LEU 10 CO -0.05 -0.22 0.05 -0.69 -1.32 0.00 0.00 176.35 174.12 2wj4 s VAL 11 N 0.92 0.65 0.00 1.68 1.01 0.35 -4.92 120.40 120.09 2wj4 s VAL 11 Ca 0.49 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2wj4 s VAL 11 Cb -0.20 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.92 2wj4 s VAL 11 CO 0.26 -0.37 0.00 0.49 0.00 0.00 0.00 175.10 175.48 2wj4 n PHE 12 N 4.98 0.00 1.06 5.22 3.72 -1.26 -1.57 117.46 129.61 2wj4 n PHE 12 Ca -0.07 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.46 2wj4 n PHE 12 Cb 0.45 0.00 0.40 0.00 -0.94 0.00 0.00 39.48 39.39 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 6.59 0.39 -4.24 4.37 8.00 -1.26 -4.93 116.55 125.47 2wj4 n ASP 13 Ca 0.00 -0.11 -0.25 0.00 0.71 0.00 0.00 54.79 55.13 2wj4 n ASP 13 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 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 -2.91 2.39 -0.26 -2.24 -0.87 -0.61 -5.10 114.94 105.34 2wj4 s ASN 14 Ca 0.15 -0.51 -0.26 0.00 -1.57 0.00 0.00 52.86 50.67 2wj4 s ASN 14 Cb 0.18 -0.20 0.00 0.00 -0.02 0.00 0.00 41.25 41.22 2wj4 s ASN 14 CO 0.62 0.15 0.89 -0.54 -2.57 0.00 0.00 177.10 175.65 2wj4 s LYS 15 N -1.14 4.14 -0.09 -0.60 1.02 -1.26 0.13 119.74 121.95 2wj4 s LYS 15 Ca 0.07 0.97 0.01 0.00 0.02 0.00 0.00 55.97 57.03 2wj4 s LYS 15 Cb -0.09 -3.67 -0.03 0.00 -0.52 0.00 0.00 37.83 33.53 2wj4 s LYS 15 CO 0.02 -0.61 -0.09 -0.51 -0.92 0.00 0.00 175.35 173.24 2wj4 s LEU 16 N 3.02 3.03 0.39 3.17 1.43 0.21 -4.89 118.68 125.04 2wj4 s LEU 16 Ca 0.37 -0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 53.25 2wj4 s LEU 16 Cb -0.15 -1.66 -0.06 0.00 0.03 0.00 0.00 46.19 44.35 2wj4 s LEU 16 CO 0.09 0.30 0.75 -0.94 0.23 0.00 0.00 176.35 176.78 2wj4 s SER 17 N -0.46 6.53 -0.02 2.29 1.04 -1.26 -0.70 113.70 121.12 2wj4 s SER 17 Ca 0.06 1.10 -0.29 0.00 0.48 0.00 0.00 55.95 57.31 2wj4 s SER 17 Cb -0.12 -2.31 0.07 0.00 0.10 0.00 0.00 66.02 63.76 2wj4 s SER 17 CO 0.02 -0.37 0.65 -0.72 0.98 0.00 0.00 173.24 173.80 2wj4 s TYR 18 N -2.32 -0.61 0.09 5.02 1.13 -0.71 -1.05 117.35 118.89 2wj4 s TYR 18 Ca 0.51 0.96 -0.16 0.00 -1.41 0.00 0.00 57.07 56.97 2wj4 s TYR 18 Cb -0.10 0.41 -0.07 0.00 -1.10 0.00 0.00 41.96 41.11 2wj4 s TYR 18 CO 0.30 -0.63 0.53 0.42 -2.51 0.00 0.00 175.55 173.66 2wj4 s ILE 19 N -1.59 4.84 -0.27 -3.49 -1.09 0.52 0.16 121.20 120.29 2wj4 s ILE 19 Ca -0.09 0.98 -0.05 0.00 -2.23 0.00 0.00 60.65 59.26 2wj4 s ILE 19 Cb -0.00 -3.80 0.14 0.00 -1.58 0.00 0.00 42.46 37.22 2wj4 s ILE 19 CO 0.06 0.44 0.53 -0.62 -1.23 0.00 0.00 174.94 174.12 2wj4 s ASP 20 N -1.35 -0.74 0.00 3.58 2.15 -0.64 -1.11 116.67 118.57 2wj4 s ASP 20 Ca 0.31 0.93 0.26 0.00 0.43 0.00 0.00 52.55 54.48 2wj4 s ASP 20 Cb -0.17 1.81 1.10 0.00 -0.30 0.00 0.00 42.92 45.35 2wj4 s ASP 20 CO 0.18 -0.25 1.82 -0.46 -0.17 0.00 0.00 175.17 176.29 2wj4 n ASN 21 N 5.41 0.00 -2.46 -0.34 6.94 -0.98 -4.73 115.26 119.10 2wj4 n ASN 21 Ca -0.06 0.50 -0.16 0.00 -0.02 0.00 0.00 54.58 54.85 2wj4 n ASN 21 Cb 0.50 -0.50 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 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 -1.50 -2.15 -1.91 -3.83 6.02 -1.26 -4.89 117.38 107.86 2wj4 n GLN 22 Ca 0.06 0.73 -0.42 0.00 -0.01 0.00 0.00 57.00 57.36 2wj4 n GLN 22 Cb 0.30 -5.36 -0.03 0.00 1.02 0.00 0.00 30.24 26.17 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 -5.07 4.19 -0.59 -1.09 6.06 -1.26 -4.94 118.95 116.25 2wj4 s ARG 23 Ca 0.02 2.36 -0.25 0.00 -2.50 0.00 0.00 55.73 55.36 2wj4 s ARG 23 Cb -0.01 -3.53 0.04 0.00 0.06 0.00 0.00 34.95 31.52 2wj4 s ARG 23 CO 0.02 -0.72 1.05 0.34 -2.50 0.00 0.00 175.30 173.48 2wj4 s ASP 24 N 2.23 6.33 0.38 -2.12 2.15 -1.26 -4.47 116.67 119.90 2wj4 s ASP 24 Ca 0.74 -0.31 -0.16 0.00 0.43 0.00 0.00 52.55 53.25 2wj4 s ASP 24 Cb -0.41 -2.48 0.06 0.00 -0.30 0.00 0.00 42.92 39.79 2wj4 s ASP 24 CO 0.32 -1.39 0.82 0.28 -0.17 0.00 0.00 175.17 175.04 2wj4 s THR 25 N 4.42 0.00 0.50 1.71 -1.32 -1.26 -5.08 115.64 114.62 2wj4 s THR 25 Ca 0.33 -0.96 -0.20 0.00 -1.21 0.00 0.00 61.69 59.65 2wj4 s THR 25 Cb -0.11 -2.95 -0.08 0.00 -1.51 0.00 0.00 72.50 67.85 2wj4 s THR 25 CO 0.19 0.00 1.05 -1.81 -2.21 0.00 0.00 174.62 171.84 2wj4 s ASP 26 N -3.11 6.23 0.96 8.08 1.01 -1.26 -4.97 116.67 123.61 2wj4 s ASP 26 Ca 0.16 1.94 -0.13 0.00 0.71 0.00 0.00 52.55 55.23 2wj4 s ASP 26 Cb -0.05 -2.56 0.17 0.00 1.01 0.00 0.00 42.92 41.49 2wj4 s ASP 26 CO 0.11 -0.86 1.15 -0.83 0.21 0.00 0.00 175.17 174.95 2wj4 s GLY 27 N -2.04 1.59 0.46 0.21 0.00 -1.26 -4.76 107.32 101.53 2wj4 s GLY 27 Ca 0.67 -0.62 -0.06 0.00 0.00 0.00 0.00 44.72 44.72 2wj4 s GLY 27 CO 0.22 0.01 0.77 2.56 0.00 0.00 0.00 173.10 176.66 2wj4 s PRO 28 N -5.31 3.58 0.41 2.90 0.04 -1.26 -4.76 135.00 130.60 2wj4 s PRO 28 Ca 0.66 0.23 -0.24 0.00 0.04 0.00 0.00 61.00 61.68 2wj4 s PRO 28 Cb -0.14 -2.39 -0.08 0.00 0.04 0.00 0.00 34.50 31.93 2wj4 s PRO 28 CO 0.54 -0.16 1.12 0.00 0.04 0.00 0.00 177.00 178.54 2wj4 s ALA 29 N -2.66 3.08 -0.29 8.56 0.00 -0.96 -4.66 121.76 124.83 2wj4 s ALA 29 Ca 0.48 0.86 -0.12 0.00 0.00 0.00 0.00 51.96 53.17 2wj4 s ALA 29 Cb -0.10 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 2wj4 s ALA 29 CO 0.42 -0.44 0.23 0.42 0.00 0.00 0.00 175.76 176.39 2wj4 s ILE 30 N -1.54 5.28 -0.40 0.00 1.01 0.03 -0.29 121.20 125.30 2wj4 s ILE 30 Ca 0.59 0.13 -0.11 0.00 0.00 0.00 0.00 60.65 61.26 2wj4 s ILE 30 Cb -0.27 -3.60 0.05 0.00 0.01 0.00 0.00 42.46 38.65 2wj4 s ILE 30 CO 0.33 0.17 0.24 -0.22 0.00 0.00 0.00 174.94 175.47 2wj4 s LEU 31 N 1.80 4.96 -0.21 2.97 2.96 -0.40 -1.42 118.68 129.34 2wj4 s LEU 31 Ca 0.08 -1.20 -0.16 0.00 -0.22 0.00 0.00 54.13 52.63 2wj4 s LEU 31 Cb -0.16 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 2wj4 s LEU 31 CO 0.11 -0.46 0.41 -0.76 -1.32 0.00 0.00 176.35 174.32 2wj4 s LEU 32 N 1.52 4.14 -0.25 -0.68 1.43 -0.20 -0.73 118.68 123.92 2wj4 s LEU 32 Ca 0.02 0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 53.59 2wj4 s LEU 32 Cb -0.21 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.49 2wj4 s LEU 32 CO 0.05 -0.10 -0.00 -0.76 0.23 0.00 0.00 176.35 175.77 2wj4 s LEU 33 N 1.41 3.29 0.69 1.79 1.43 0.11 -4.10 118.68 123.29 2wj4 s LEU 33 Ca 0.19 -0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 52.54 2wj4 s LEU 33 Cb -0.15 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.31 2wj4 s LEU 33 CO 0.08 -0.10 1.15 -2.84 0.23 0.00 0.00 176.35 174.87 2wj4 s PRO 34 N 1.45 2.53 0.00 1.29 0.02 -1.26 -1.62 135.00 137.42 2wj4 s PRO 34 Ca 0.03 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.60 2wj4 s PRO 34 Cb -0.16 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.46 2wj4 s PRO 34 CO -0.01 -1.49 0.00 0.41 -0.33 0.00 0.00 177.00 175.58 2wj4 n GLY 35 N -0.11 -0.73 3.75 0.52 0.00 -1.23 -4.10 105.19 103.28 2wj4 n GLY 35 Ca 0.12 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.11 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 0.01 3.71 -1.02 1.61 0.52 -1.26 -4.21 118.94 118.30 2wj4 s TRP 36 Ca 0.00 1.35 0.00 0.00 0.02 0.00 0.00 56.10 57.47 2wj4 s TRP 36 Cb 0.00 -2.72 0.00 0.00 -1.15 0.00 0.00 33.47 29.60 2wj4 s TRP 36 CO 0.00 0.31 0.00 0.00 0.02 0.00 0.00 176.95 177.28 2wj4 n HIS 38 N -3.94 -1.52 -4.11 0.00 1.44 -1.26 -4.82 115.22 101.00 2wj4 n HIS 38 Ca -0.14 -2.32 -0.07 0.00 -2.01 0.00 0.00 57.72 53.18 2wj4 n HIS 38 Cb 0.59 0.58 -0.02 0.00 0.12 0.00 0.00 29.99 31.26 2wj4 n HIS 38 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2wj4 n ASP 39 N -1.61 0.13 -0.15 4.39 5.68 -1.26 -4.75 116.55 118.97 2wj4 n ASP 39 Ca 0.00 -1.71 0.28 0.00 -0.50 0.00 0.00 54.79 52.87 2wj4 n ASP 39 Cb 0.59 0.48 0.64 0.00 -1.14 0.00 0.00 41.12 41.70 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 1.31 0.00 -0.94 2.11 2.07 -1.90 -1.69 115.15 116.11 2wj4 h HIS 40 Ca -0.08 0.00 0.24 0.00 -2.85 0.00 0.00 60.37 57.67 2wj4 h HIS 40 Cb 0.39 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.31 2wj4 h HIS 40 CO 0.00 0.00 0.64 0.00 -3.07 0.00 0.00 177.93 175.50 2wj4 h ARG 41 N 0.00 0.27 -0.08 5.12 3.08 -1.97 -0.41 114.38 120.39 2wj4 h ARG 41 Ca 0.42 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.48 2wj4 h ARG 41 Cb 2.16 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 32.14 2wj4 h ARG 41 CO -0.00 0.18 0.09 -0.24 -1.07 0.00 0.00 179.97 178.93 2wj4 h VAL 42 N 0.27 0.46 -0.34 2.04 3.04 -1.72 -2.32 116.25 117.68 2wj4 h VAL 42 Ca 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.18 2wj4 h VAL 42 Cb 1.44 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 2wj4 h VAL 42 CO -0.15 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.19 2wj4 n TYR 43 N -3.76 0.43 -0.06 3.17 0.53 -0.17 -4.35 117.16 112.95 2wj4 n TYR 43 Ca -0.01 -0.22 0.05 0.00 -1.02 0.00 0.00 57.90 56.70 2wj4 n TYR 43 Cb 0.19 -0.00 0.41 0.00 -1.03 0.00 0.00 39.34 38.91 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 4.46 0.59 0.04 -0.72 2.10 -1.42 0.91 116.57 122.54 2wj4 h LYS 44 Ca 0.00 -0.04 -0.23 0.00 -2.00 0.00 0.00 60.65 58.38 2wj4 h LYS 44 Cb 0.98 -0.13 0.02 0.00 -0.90 0.00 0.00 32.23 32.20 2wj4 h LYS 44 CO 0.00 0.39 -0.94 1.88 -2.00 0.00 0.00 179.45 178.79 2wj4 h TYR 45 N 0.61 0.86 -0.67 0.07 -1.99 -1.82 -2.96 116.97 111.06 2wj4 h TYR 45 Ca 0.21 -0.50 -0.07 0.00 2.00 0.00 0.00 58.73 60.37 2wj4 h TYR 45 Cb 0.08 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 38.70 2wj4 h TYR 45 CO -0.00 1.34 0.16 1.25 -0.00 0.00 0.00 178.16 180.90 2wj4 h LEU 46 N 0.13 1.03 -0.97 3.88 5.85 -1.58 -2.60 115.31 121.06 2wj4 h LEU 46 Ca -0.13 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.38 2wj4 h LEU 46 Cb 1.63 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 42.33 2wj4 h LEU 46 CO 0.18 1.00 0.64 0.40 -0.34 0.00 0.00 178.44 180.32 2wj4 h ILE 47 N 1.01 1.20 -0.85 4.05 2.04 -0.84 -1.98 117.51 122.15 2wj4 h ILE 47 Ca 0.21 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.65 2wj4 h ILE 47 Cb 0.38 -0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 2wj4 h ILE 47 CO 0.00 0.23 0.56 1.56 0.00 0.00 0.00 178.15 180.50 2wj4 h GLN 48 N 1.26 1.09 -0.36 2.37 4.20 -1.30 0.11 115.11 122.48 2wj4 h GLN 48 Ca 0.37 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 2wj4 h GLN 48 Cb -0.07 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.45 2wj4 h GLN 48 CO -0.10 0.72 0.16 0.93 -0.67 0.00 0.00 178.83 179.87 2wj4 h GLU 49 N 1.12 0.51 0.00 1.46 4.39 -1.02 -3.13 114.58 117.91 2wj4 h GLU 49 Ca 0.32 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.96 2wj4 h GLU 49 Cb -0.09 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 2wj4 h GLU 49 CO -0.08 0.41 -1.23 1.28 -1.16 0.00 0.00 179.01 178.23 2wj4 n LEU 50 N -4.41 0.64 -0.16 1.33 4.77 -0.92 -4.73 117.00 113.52 2wj4 n LEU 50 Ca 0.02 -0.35 -0.03 0.00 -0.03 0.00 0.00 56.01 55.62 2wj4 n LEU 50 Cb 0.12 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.27 2wj4 n LEU 50 CO 0.36 0.16 0.99 -0.78 -1.33 0.00 0.00 177.39 176.79 2wj4 h ASP 51 N 0.00 0.26 -0.54 -1.43 3.58 -0.73 -2.37 116.42 115.19 2wj4 h ASP 51 Ca 0.00 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2wj4 h ASP 51 Cb 0.60 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.63 2wj4 h ASP 51 CO 0.00 0.18 0.35 0.00 -2.88 0.00 0.00 179.24 176.89 2wj4 h ALA 52 N 1.31 1.59 -0.00 -0.78 0.00 -1.85 -3.33 119.26 116.20 2wj4 h ALA 52 Ca 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2wj4 h ALA 52 Cb 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2wj4 h ALA 52 CO -0.21 0.37 -0.19 -0.25 0.00 0.00 0.00 179.25 178.97 2wj4 n ASP 53 N -4.44 0.71 -3.96 0.00 8.00 -0.92 -5.02 116.55 110.91 2wj4 n ASP 53 Ca 0.05 -0.85 -0.09 0.00 0.71 0.00 0.00 54.79 54.60 2wj4 n ASP 53 Cb 0.06 0.67 -0.11 0.00 -0.02 0.00 0.00 41.12 41.72 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 -1.24 0.22 -0.07 1.24 0.08 -1.03 -4.88 117.98 112.29 2wj4 s PHE 54 Ca 0.04 -0.45 -0.30 0.00 0.12 0.00 0.00 56.93 56.34 2wj4 s PHE 54 Cb 0.05 -0.16 -0.02 0.00 -0.57 0.00 0.00 43.02 42.31 2wj4 s PHE 54 CO 0.20 -0.21 1.10 0.50 -0.10 0.00 0.00 175.22 176.71 2wj4 s ARG 55 N -1.44 4.40 -0.13 0.44 3.52 -1.26 -4.69 118.95 119.79 2wj4 s ARG 55 Ca -0.16 1.53 0.02 0.00 -0.13 0.00 0.00 55.73 56.99 2wj4 s ARG 55 Cb -0.09 -3.54 0.01 0.00 -1.56 0.00 0.00 34.95 29.77 2wj4 s ARG 55 CO -0.01 -0.36 -0.20 0.08 -0.81 0.00 0.00 175.30 174.01 2wj4 s VAL 56 N 2.04 1.88 -0.07 7.11 1.01 -1.26 -0.79 120.40 130.32 2wj4 s VAL 56 Ca 0.52 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.69 2wj4 s VAL 56 Cb -0.22 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 2wj4 s VAL 56 CO 0.20 0.51 -0.23 -0.63 0.00 0.00 0.00 175.10 174.95 2wj4 s ILE 57 N 0.90 1.95 -0.27 2.22 -1.09 -0.51 -2.33 121.20 122.09 2wj4 s ILE 57 Ca -0.06 -0.99 -0.00 0.00 -2.23 0.00 0.00 60.65 57.36 2wj4 s ILE 57 Cb -0.15 -1.67 0.08 0.00 -1.58 0.00 0.00 42.46 39.14 2wj4 s ILE 57 CO -0.03 0.54 0.04 -0.69 -1.23 0.00 0.00 174.94 173.58 2wj4 s VAL 58 N 0.04 1.11 0.18 2.92 1.01 -0.26 -1.04 120.40 124.35 2wj4 s VAL 58 Ca -0.09 -1.28 -0.30 0.00 0.00 0.00 0.00 61.98 60.31 2wj4 s VAL 58 Cb -0.15 -1.67 -0.07 0.00 0.00 0.00 0.00 36.38 34.48 2wj4 s VAL 58 CO 0.05 -0.43 0.97 -2.16 0.00 0.00 0.00 175.10 173.53 2wj4 s PRO 59 N 1.54 4.75 -0.08 2.72 0.04 -1.26 -0.36 135.00 142.35 2wj4 s PRO 59 Ca 0.04 1.51 -0.11 0.00 0.04 0.00 0.00 61.00 62.48 2wj4 s PRO 59 Cb -0.18 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.00 2wj4 s PRO 59 CO -0.15 0.32 0.28 -0.80 0.04 0.00 0.00 177.00 176.68 2wj4 s ASN 60 N -0.53 6.56 0.94 6.66 0.01 -0.21 -4.55 114.94 123.82 2wj4 s ASN 60 Ca 0.45 0.67 -0.13 0.00 -0.71 0.00 0.00 52.86 53.14 2wj4 s ASN 60 Cb -0.25 -2.16 0.16 0.00 0.41 0.00 0.00 41.25 39.40 2wj4 s ASN 60 CO 0.32 0.31 1.14 0.26 -1.51 0.00 0.00 177.10 177.62 2wj4 s TRP 61 N -0.73 2.30 0.15 2.20 0.23 -1.26 -4.54 118.94 117.29 2wj4 s TRP 61 Ca 0.19 0.82 -0.34 0.00 -2.03 0.00 0.00 56.10 54.73 2wj4 s TRP 61 Cb -0.14 -3.42 -0.14 0.00 0.03 0.00 0.00 33.47 29.80 2wj4 s TRP 61 CO 0.08 -2.54 1.57 0.54 0.96 0.00 0.00 176.95 177.56 2wj4 n ARG 62 N -3.87 2.09 -0.94 4.98 1.74 -1.26 -0.92 116.66 118.48 2wj4 n ARG 62 Ca 0.07 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.91 2wj4 n ARG 62 Cb 0.59 -2.52 0.00 0.00 -1.02 0.00 0.00 32.46 29.51 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 3.38 0.87 3.78 -0.13 0.00 -1.26 -4.95 105.19 106.88 2wj4 n GLY 63 Ca 0.17 0.00 -0.32 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 -3.61 3.25 -5.00 1.61 3.76 -0.10 -1.49 115.29 113.71 2wj4 s HIS 64 Ca 0.00 0.15 0.00 0.00 -0.15 0.00 0.00 55.06 55.06 2wj4 s HIS 64 Cb 0.00 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 32.01 2wj4 s HIS 64 CO 0.00 0.54 0.00 0.41 -0.85 0.00 0.00 174.74 174.84 2wj4 n GLY 65 N 0.83 0.19 0.28 -2.22 0.00 -1.26 -4.57 105.19 98.43 2wj4 n GLY 65 Ca -0.11 -1.68 0.13 0.00 0.00 0.00 0.00 46.02 44.37 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 -7.06 0.99 3.38 -1.98 -3.27 115.31 107.37 2wj4 h LEU 66 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 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 0.06 -0.67 -0.55 0.09 0.00 0.00 178.44 177.37 2wj4 s SER 67 N -6.25 4.03 0.75 -0.43 0.15 -1.26 -5.05 113.70 105.64 2wj4 s SER 67 Ca -0.04 -3.24 -0.15 0.00 0.70 0.00 0.00 55.95 53.22 2wj4 s SER 67 Cb 0.14 -1.36 0.05 0.00 -1.71 0.00 0.00 66.02 63.15 2wj4 s SER 67 CO 0.58 -0.18 1.22 -2.84 1.20 0.00 0.00 173.24 173.22 2wj4 s PRO 68 N -0.53 1.95 0.03 5.44 0.02 -1.23 -4.85 135.00 135.83 2wj4 s PRO 68 Ca 0.22 1.82 -0.10 0.00 0.02 0.00 0.00 61.00 62.96 2wj4 s PRO 68 Cb -0.14 -1.80 0.01 0.00 0.02 0.00 0.00 34.50 32.58 2wj4 s PRO 68 CO -0.08 -1.99 0.20 -1.54 -0.33 0.00 0.00 177.00 173.26 2wj4 s SER 69 N -1.97 0.01 0.27 2.53 1.04 -0.56 -5.00 113.70 110.02 2wj4 s SER 69 Ca 0.75 -0.32 -0.30 0.00 0.48 0.00 0.00 55.95 56.57 2wj4 s SER 69 Cb -0.31 0.29 -0.10 0.00 0.10 0.00 0.00 66.02 66.00 2wj4 s SER 69 CO 0.47 -0.54 1.39 -1.61 0.98 0.00 0.00 173.24 173.93 2wj4 s GLU 70 N -2.41 4.30 0.13 4.02 2.02 -1.26 -4.30 118.70 121.20 2wj4 s GLU 70 Ca -0.06 2.26 -0.01 0.00 0.02 0.00 0.00 54.97 57.18 2wj4 s GLU 70 Cb -0.02 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.07 2wj4 s GLU 70 CO -0.03 -0.35 0.05 0.14 0.02 0.00 0.00 175.26 175.09 2wj4 s VAL 71 N -0.31 0.15 0.76 2.63 -7.23 -1.26 -4.93 120.40 110.21 2wj4 s VAL 71 Ca 0.56 -1.91 -0.11 0.00 -1.81 0.00 0.00 61.98 58.71 2wj4 s VAL 71 Cb -0.41 -2.03 0.05 0.00 0.56 0.00 0.00 36.38 34.55 2wj4 s VAL 71 CO 0.46 -0.48 1.09 -2.84 -0.31 0.00 0.00 175.10 173.01 2wj4 s PRO 72 N -4.03 2.31 0.44 4.82 0.02 -1.26 -4.96 135.00 132.33 2wj4 s PRO 72 Ca 0.23 1.18 -0.26 0.00 0.02 0.00 0.00 61.00 62.18 2wj4 s PRO 72 Cb 0.07 -1.90 -0.09 0.00 0.02 0.00 0.00 34.50 32.61 2wj4 s PRO 72 CO 0.02 -1.60 1.42 -0.51 -0.33 0.00 0.00 177.00 175.99 2wj4 s ASP 73 N -3.33 5.97 0.20 2.53 1.01 -1.26 -5.01 116.67 116.79 2wj4 s ASP 73 Ca 0.62 2.90 -0.23 0.00 0.71 0.00 0.00 52.55 56.55 2wj4 s ASP 73 Cb -0.17 -2.65 0.05 0.00 1.01 0.00 0.00 42.92 41.15 2wj4 s ASP 73 CO 0.55 -1.11 0.69 0.72 0.21 0.00 0.00 175.17 176.23 2wj4 s PHE 74 N -1.20 -0.35 0.00 4.23 -0.71 -1.26 -5.16 117.98 113.52 2wj4 s PHE 74 Ca 0.60 0.04 0.00 0.00 -1.04 0.00 0.00 56.93 56.52 2wj4 s PHE 74 Cb -0.43 0.63 0.00 0.00 -1.21 0.00 0.00 43.02 42.01 2wj4 s PHE 74 CO 0.56 -1.00 0.00 0.41 -1.34 0.00 0.00 175.22 173.85 2wj4 n GLY 75 N -0.41 5.70 0.16 1.99 0.00 -1.26 -4.97 105.19 106.39 2wj4 n GLY 75 Ca -0.10 -1.66 -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 0.18 0.15 -0.80 1.61 -0.00 -1.96 -1.50 116.97 114.65 2wj4 h TYR 76 Ca 0.00 -0.06 0.05 0.00 -0.00 0.00 0.00 58.73 58.72 2wj4 h TYR 76 Cb 0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 36.73 36.65 2wj4 h TYR 76 CO 0.00 0.69 0.49 1.96 -0.00 0.00 0.00 178.16 181.30 2wj4 h GLN 77 N 0.09 0.89 -0.37 0.10 1.08 -1.97 0.06 115.11 115.00 2wj4 h GLN 77 Ca -0.01 -0.05 -0.15 0.00 -1.45 0.00 0.00 58.65 56.99 2wj4 h GLN 77 Cb 1.08 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 28.30 2wj4 h GLN 77 CO 0.09 0.59 -0.35 0.93 -0.95 0.00 0.00 178.83 179.13 2wj4 h GLU 78 N 0.92 0.86 -0.71 1.46 3.07 -1.82 -2.68 114.58 115.68 2wj4 h GLU 78 Ca 0.34 -0.43 0.03 0.00 -0.50 0.00 0.00 59.36 58.80 2wj4 h GLU 78 Cb 0.12 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.99 2wj4 h GLU 78 CO -0.16 1.08 0.44 1.96 -1.40 0.00 0.00 179.01 180.93 2wj4 h GLN 79 N 0.72 0.82 -0.24 2.33 4.20 -0.68 -0.37 115.11 121.89 2wj4 h GLN 79 Ca 0.07 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.78 2wj4 h GLN 79 Cb 0.92 -0.19 -0.06 0.00 0.30 0.00 0.00 27.48 28.46 2wj4 h GLN 79 CO 0.09 0.54 -0.13 0.28 -0.67 0.00 0.00 178.83 178.94 2wj4 h VAL 80 N 0.85 0.61 -0.69 -0.54 2.07 -0.89 -0.48 116.25 117.19 2wj4 h VAL 80 Ca 0.29 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.78 2wj4 h VAL 80 Cb 0.04 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2wj4 h VAL 80 CO -0.12 0.00 0.31 0.11 0.02 0.00 0.00 177.57 177.89 2wj4 h LYS 81 N -0.10 1.00 -0.39 1.57 1.57 -1.12 -0.50 116.57 118.60 2wj4 h LYS 81 Ca 0.13 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2wj4 h LYS 81 Cb 0.30 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2wj4 h LYS 81 CO -0.31 0.81 0.25 -0.44 -0.57 0.00 0.00 179.45 179.19 2wj4 h ASP 82 N 0.96 0.41 -0.39 0.86 5.19 -0.79 0.50 116.42 123.17 2wj4 h ASP 82 Ca 0.23 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.61 2wj4 h ASP 82 Cb 0.16 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.56 2wj4 h ASP 82 CO -0.03 0.30 0.12 0.00 -3.12 0.00 0.00 179.24 176.51 2wj4 h ALA 83 N 1.16 0.52 -0.30 3.45 0.00 -0.51 -0.96 119.26 122.61 2wj4 h ALA 83 Ca 0.15 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2wj4 h ALA 83 Cb -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2wj4 h ALA 83 CO -0.05 0.16 -0.17 -0.07 0.00 0.00 0.00 179.25 179.12 2wj4 h LEU 84 N 0.49 0.54 -0.58 0.00 3.38 -0.82 -1.68 115.31 116.64 2wj4 h LEU 84 Ca 0.13 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2wj4 h LEU 84 Cb 0.26 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2wj4 h LEU 84 CO -0.00 0.73 0.02 -0.08 0.09 0.00 0.00 178.44 179.19 2wj4 h GLU 85 N 0.49 1.01 -0.70 1.13 4.57 -0.53 0.14 114.58 120.71 2wj4 h GLU 85 Ca 0.08 -0.31 -0.07 0.00 -1.18 0.00 0.00 59.36 57.88 2wj4 h GLU 85 Cb 0.58 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 2wj4 h GLU 85 CO 0.04 0.99 0.14 0.82 -1.18 0.00 0.00 179.01 179.83 2wj4 h ILE 86 N 0.91 1.26 -0.41 2.32 2.04 -0.84 -0.87 117.51 121.92 2wj4 h ILE 86 Ca 0.17 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 2wj4 h ILE 86 Cb 0.52 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2wj4 h ILE 86 CO 0.03 0.38 0.15 -0.07 0.00 0.00 0.00 178.15 178.64 2wj4 h LEU 87 N 1.06 0.58 -0.11 1.44 3.38 -1.06 -0.73 115.31 119.87 2wj4 h LEU 87 Ca 0.22 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2wj4 h LEU 87 Cb 0.41 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2wj4 h LEU 87 CO 0.01 0.61 0.05 0.44 0.09 0.00 0.00 178.44 179.64 2wj4 h ASP 88 N 0.53 0.14 -0.77 -0.43 3.32 -0.41 -0.83 116.42 117.97 2wj4 h ASP 88 Ca 0.14 -0.12 0.15 0.00 0.02 0.00 0.00 57.03 57.22 2wj4 h ASP 88 Cb 0.22 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 2wj4 h ASP 88 CO -0.01 0.22 0.51 1.56 -1.72 0.00 0.00 179.24 179.80 2wj4 h GLN 89 N 0.05 0.44 -0.00 3.56 4.20 -1.08 -1.48 115.11 120.80 2wj4 h GLN 89 Ca 0.04 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2wj4 h GLN 89 Cb 0.11 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2wj4 h GLN 89 CO -0.00 0.29 -0.25 1.28 -0.67 0.00 0.00 178.83 179.47 2wj4 n LEU 90 N -4.49 0.61 -0.51 1.46 4.77 -0.29 -4.93 117.00 113.62 2wj4 n LEU 90 Ca 0.15 -0.03 -0.07 0.00 -0.03 0.00 0.00 56.01 56.03 2wj4 n LEU 90 Cb 0.52 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 2wj4 n LEU 90 CO 0.32 0.12 -0.06 0.61 -1.33 0.00 0.00 177.39 177.05 2wj4 n GLY 91 N 1.38 0.88 3.69 -0.72 0.00 -0.43 -4.99 105.19 105.00 2wj4 n GLY 91 Ca 0.11 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.18 4.53 0.00 1.61 1.01 -0.53 -4.97 120.40 119.87 2wj4 s VAL 92 Ca 0.00 1.82 0.00 0.00 0.00 0.00 0.00 61.98 63.80 2wj4 s VAL 92 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2wj4 s VAL 92 CO 0.00 -0.01 0.00 -0.62 0.00 0.00 0.00 175.10 174.47 2wj4 n GLU 93 N 5.19 0.00 -2.90 2.72 1.02 -1.26 -4.65 120.64 120.76 2wj4 n GLU 93 Ca 0.10 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.84 2wj4 n GLU 93 Cb 0.47 -0.08 -0.05 0.00 -0.02 0.00 0.00 31.44 31.76 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 4.45 0.01 2.62 2.01 -1.26 -4.88 115.64 118.60 2wj4 s THR 94 Ca 0.00 1.81 -0.08 0.00 0.31 0.00 0.00 61.69 63.73 2wj4 s THR 94 Cb 0.00 -4.20 0.00 0.00 0.01 0.00 0.00 72.50 68.31 2wj4 s THR 94 CO 0.00 0.43 0.16 0.72 -0.69 0.00 0.00 174.62 175.24 2wj4 s PHE 95 N -0.61 0.05 -0.39 4.92 -0.12 -0.37 -2.26 117.98 119.20 2wj4 s PHE 95 Ca 0.39 -0.19 -0.10 0.00 -0.05 0.00 0.00 56.93 56.98 2wj4 s PHE 95 Cb -0.23 -0.05 0.05 0.00 -0.63 0.00 0.00 43.02 42.16 2wj4 s PHE 95 CO 0.27 -0.34 0.22 -1.17 -0.05 0.00 0.00 175.22 174.15 2wj4 s LEU 96 N -1.65 4.85 0.23 -1.99 2.96 0.61 -4.32 118.68 119.36 2wj4 s LEU 96 Ca -0.11 -1.18 -0.28 0.00 -0.22 0.00 0.00 54.13 52.33 2wj4 s LEU 96 Cb -0.05 -2.00 -0.09 0.00 0.50 0.00 0.00 46.19 44.55 2wj4 s LEU 96 CO -0.00 -0.44 0.89 -2.16 -1.32 0.00 0.00 176.35 173.31 2wj4 s PRO 97 N 1.50 4.74 -0.10 0.98 0.04 -1.26 -1.28 135.00 139.63 2wj4 s PRO 97 Ca 0.02 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.42 2wj4 s PRO 97 Cb -0.21 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.13 2wj4 s PRO 97 CO 0.05 0.51 -0.08 0.08 0.04 0.00 0.00 177.00 177.60 2wj4 s VAL 98 N -1.22 0.97 0.23 -0.36 1.01 0.10 -1.92 120.40 119.21 2wj4 s VAL 98 Ca 0.40 -0.28 0.09 0.00 0.00 0.00 0.00 61.98 62.19 2wj4 s VAL 98 Cb -0.24 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2wj4 s VAL 98 CO 0.29 0.35 -0.02 -0.94 0.00 0.00 0.00 175.10 174.78 2wj4 s SER 99 N 1.48 4.51 -0.14 3.32 1.04 -0.31 0.06 113.70 123.66 2wj4 s SER 99 Ca 0.00 -0.60 -0.02 0.00 0.48 0.00 0.00 55.95 55.82 2wj4 s SER 99 Cb -0.13 -0.84 -0.02 0.00 0.10 0.00 0.00 66.02 65.13 2wj4 s SER 99 CO -0.05 0.04 -0.09 -2.28 0.98 0.00 0.00 173.24 171.84 2wj4 s HIS 100 N -2.10 2.91 0.00 5.02 2.46 -0.64 -0.43 115.29 122.51 2wj4 s HIS 100 Ca 0.29 -0.47 0.00 0.00 0.47 0.00 0.00 55.06 55.35 2wj4 s HIS 100 Cb -0.07 -1.89 0.00 0.00 -0.13 0.00 0.00 32.58 30.49 2wj4 s HIS 100 CO 0.19 -0.11 0.00 0.45 -2.47 0.00 0.00 174.74 172.79 2wj4 n SER 101 N 3.47 0.00 0.00 9.88 2.88 0.09 -1.02 113.62 128.92 2wj4 n SER 101 Ca -0.18 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.45 2wj4 n SER 101 Cb 0.53 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 64.49 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 13.84 0.00 0.21 0.66 -0.00 -1.26 -0.53 115.22 128.14 2wj4 n HIS 102 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.84 2wj4 n HIS 102 Cb 0.00 0.00 0.63 0.00 -0.00 0.00 0.00 29.99 30.62 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 3.16 0.00 1.77 -1.41 0.00 -1.23 -2.80 103.07 102.56 2wj4 h GLY 103 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2wj4 h GLY 103 CO 0.00 0.00 -0.35 -1.33 0.00 0.00 0.00 176.54 174.86 2wj4 h GLY 104 N 0.00 0.29 0.79 4.60 0.00 -0.97 -1.70 103.07 106.08 2wj4 h GLY 104 Ca 0.00 -0.26 0.05 0.00 0.00 0.00 0.00 47.33 47.13 2wj4 h GLY 104 CO 0.00 0.23 0.61 1.49 0.00 0.00 0.00 176.54 178.87 2wj4 h TRP 105 N 0.23 1.13 0.04 5.60 4.06 -1.75 -0.85 115.95 124.41 2wj4 h TRP 105 Ca 0.03 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 61.01 2wj4 h TRP 105 Cb 0.73 -0.37 0.00 0.00 -1.00 0.00 0.00 29.16 28.52 2wj4 h TRP 105 CO 0.01 0.61 -0.02 0.28 -3.56 0.00 0.00 178.44 175.77 2wj4 h VAL 106 N 1.14 1.02 -0.46 1.49 2.07 -1.65 -2.61 116.25 117.24 2wj4 h VAL 106 Ca 0.40 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.79 2wj4 h VAL 106 Cb 0.10 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2wj4 h VAL 106 CO -0.15 0.04 0.19 0.25 0.02 0.00 0.00 177.57 177.93 2wj4 h LEU 107 N -0.12 0.24 -0.31 2.57 6.46 -0.74 0.42 115.31 123.83 2wj4 h LEU 107 Ca -0.00 0.04 -0.19 0.00 -0.12 0.00 0.00 57.88 57.61 2wj4 h LEU 107 Cb 0.11 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 2wj4 h LEU 107 CO 0.01 0.17 -0.54 0.58 -0.62 0.00 0.00 178.44 178.04 2wj4 h VAL 108 N 0.39 1.27 -0.41 1.05 2.07 -1.21 -0.74 116.25 118.68 2wj4 h VAL 108 Ca 0.21 -1.72 -0.11 0.00 0.82 0.00 0.00 66.70 65.90 2wj4 h VAL 108 Cb 0.18 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2wj4 h VAL 108 CO -0.19 0.56 -0.18 -0.08 0.02 0.00 0.00 177.57 177.71 2wj4 h GLU 109 N 0.67 0.78 -0.73 1.57 4.57 -1.06 -2.23 114.58 118.16 2wj4 h GLU 109 Ca 0.02 -0.29 -0.03 0.00 -1.18 0.00 0.00 59.36 57.87 2wj4 h GLU 109 Cb 1.15 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.66 2wj4 h GLU 109 CO 0.12 0.90 0.33 1.25 -1.18 0.00 0.00 179.01 180.44 2wj4 h LEU 110 N 0.69 0.95 -0.36 1.64 5.85 0.07 0.06 115.31 124.22 2wj4 h LEU 110 Ca 0.10 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2wj4 h LEU 110 Cb 0.68 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2wj4 h LEU 110 CO 0.05 0.82 0.18 -0.07 -0.34 0.00 0.00 178.44 179.08 2wj4 h LEU 111 N 1.04 0.46 -0.13 2.25 3.38 -0.78 0.18 115.31 121.70 2wj4 h LEU 111 Ca 0.25 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wj4 h LEU 111 Cb 0.13 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2wj4 h LEU 111 CO -0.03 0.44 0.07 -0.08 0.09 0.00 0.00 178.44 178.93 2wj4 h GLU 112 N 0.44 0.18 -0.07 1.13 4.57 -0.79 -1.33 114.58 118.71 2wj4 h GLU 112 Ca 0.12 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 2wj4 h GLU 112 Cb 0.10 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2wj4 h GLU 112 CO -0.02 0.18 -0.08 0.37 -1.18 0.00 0.00 179.01 178.29 2wj4 h GLN 113 N 0.12 0.17 0.00 1.92 5.75 -0.89 -3.11 115.11 119.07 2wj4 h GLN 113 Ca 0.05 -0.09 -0.12 0.00 -0.15 0.00 0.00 58.65 58.33 2wj4 h GLN 113 Cb 0.06 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 2wj4 h GLN 113 CO -0.01 0.63 -0.57 0.00 -2.65 0.00 0.00 178.83 176.23 2wj4 h ALA 114 N 0.53 0.91 -0.48 3.38 0.00 -0.72 -3.50 119.26 119.38 2wj4 h ALA 114 Ca 0.01 -0.52 0.05 0.00 0.00 0.00 0.00 54.91 54.45 2wj4 h ALA 114 Cb 0.61 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2wj4 h ALA 114 CO 0.02 0.71 -0.15 0.41 0.00 0.00 0.00 179.25 180.24 2wj4 n GLY 115 N 0.39 -2.34 0.19 0.00 0.00 -0.50 -4.29 105.19 98.64 2wj4 n GLY 115 Ca -0.01 -1.42 0.14 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.20 0.00 0.08 1.61 0.13 -1.79 -0.60 132.00 131.23 2wj4 h PRO 116 Ca -0.02 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.91 2wj4 h PRO 116 Cb 0.19 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.34 2wj4 h PRO 116 CO 0.01 0.00 -0.85 0.93 -0.23 0.00 0.00 178.00 177.86 2wj4 h GLU 117 N 0.00 0.44 0.06 0.86 5.08 -1.96 -2.84 114.58 116.22 2wj4 h GLU 117 Ca 0.00 -0.57 -0.25 0.00 -1.00 0.00 0.00 59.36 57.53 2wj4 h GLU 117 Cb 0.54 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2wj4 h GLU 117 CO 0.00 1.22 -1.23 -0.09 -1.00 0.00 0.00 179.01 177.92 2wj4 h ARG 118 N -0.08 0.13 -2.37 2.33 2.43 -1.72 -3.42 114.38 111.69 2wj4 h ARG 118 Ca -0.13 -0.23 -0.59 0.00 -0.81 0.00 0.00 59.98 58.23 2wj4 h ARG 118 Cb 1.58 0.08 -0.39 0.00 -0.42 0.00 0.00 29.97 30.82 2wj4 h ARG 118 CO 0.16 1.05 -0.90 0.00 -1.51 0.00 0.00 179.97 178.77 2wj4 n ALA 119 N -2.48 2.97 0.39 2.80 0.00 -0.24 -1.24 120.51 122.72 2wj4 n ALA 119 Ca -0.07 -3.62 0.13 0.00 0.00 0.00 0.00 53.44 49.88 2wj4 n ALA 119 Cb 0.99 -0.83 0.38 0.00 0.00 0.00 0.00 19.45 19.99 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 4.97 0.00 -3.71 0.00 0.13 -1.69 -3.37 132.00 128.33 2wj4 h PRO 120 Ca 0.19 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.24 2wj4 h PRO 120 Cb 0.85 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.87 2wj4 h PRO 120 CO 0.51 0.00 -0.18 1.03 -0.23 0.00 0.00 178.00 179.13 2wj4 s ARG 121 N -3.26 1.37 -0.01 0.86 0.52 -1.26 -4.10 118.95 113.06 2wj4 s ARG 121 Ca 0.07 -1.17 -0.13 0.00 -0.52 0.00 0.00 55.73 53.97 2wj4 s ARG 121 Cb 0.09 0.44 0.02 0.00 0.52 0.00 0.00 34.95 36.02 2wj4 s ARG 121 CO 0.58 -0.55 0.28 0.20 0.02 0.00 0.00 175.30 175.83 2wj4 s GLY 122 N -2.98 -0.12 -0.14 -3.53 0.00 -0.85 -4.14 107.32 95.56 2wj4 s GLY 122 Ca 0.19 0.25 0.02 0.00 0.00 0.00 0.00 44.72 45.18 2wj4 s GLY 122 CO 0.04 0.06 -0.19 -0.42 0.00 0.00 0.00 173.10 172.59 2wj4 s ILE 123 N -1.32 2.39 -0.16 0.90 1.01 -0.81 -2.16 121.20 121.06 2wj4 s ILE 123 Ca -0.14 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.60 2wj4 s ILE 123 Cb -0.06 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 2wj4 s ILE 123 CO 0.04 0.54 -0.02 0.27 0.00 0.00 0.00 174.94 175.76 2wj4 s ILE 124 N 0.69 4.05 -0.13 2.92 -4.36 -0.55 -1.16 121.20 122.65 2wj4 s ILE 124 Ca -0.09 -0.30 -0.05 0.00 -0.26 0.00 0.00 60.65 59.95 2wj4 s ILE 124 Cb -0.16 -2.79 -0.04 0.00 1.25 0.00 0.00 42.46 40.73 2wj4 s ILE 124 CO 0.02 0.49 0.03 -0.04 0.24 0.00 0.00 174.94 175.67 2wj4 s MET 125 N 0.39 3.49 -0.57 0.37 -1.94 0.43 -1.17 119.30 120.30 2wj4 s MET 125 Ca -0.03 -0.37 -0.05 0.00 -1.71 0.00 0.00 55.69 53.54 2wj4 s MET 125 Cb -0.14 -3.01 0.01 0.00 2.01 0.00 0.00 34.83 33.70 2wj4 s MET 125 CO 0.02 0.50 0.45 -3.47 -0.01 0.00 0.00 175.02 172.51 2wj4 n ASP 126 N 2.80 -3.60 -3.94 3.03 -0.08 0.32 -0.73 116.55 114.34 2wj4 n ASP 126 Ca -0.18 -0.63 -0.26 0.00 -1.51 0.00 0.00 54.79 52.21 2wj4 n ASP 126 Cb 0.53 -1.17 -0.17 0.00 2.34 0.00 0.00 41.12 42.65 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 -2.47 1.48 -0.48 -0.67 -0.00 -1.26 -3.56 118.94 111.98 2wj4 s TRP 127 Ca 0.04 -0.68 -0.28 0.00 -0.00 0.00 0.00 56.10 55.18 2wj4 s TRP 127 Cb -0.00 -1.18 -0.09 0.00 -0.00 0.00 0.00 33.47 32.19 2wj4 s TRP 127 CO 0.66 -0.44 2.39 1.28 -0.00 0.00 0.00 176.95 180.84 2wj4 n LEU 128 N 4.58 2.23 0.20 5.86 4.77 -1.26 -4.82 117.00 128.56 2wj4 n LEU 128 Ca -0.16 -0.19 0.09 0.00 -0.03 0.00 0.00 56.01 55.71 2wj4 n LEU 128 Cb 0.51 -1.47 0.28 0.00 -2.33 0.00 0.00 43.42 40.41 2wj4 n LEU 128 CO 0.20 -1.22 0.72 0.24 -1.33 0.00 0.00 177.39 176.00 2wj4 h MET 129 N 17.08 0.00 -6.22 3.23 2.86 -1.97 -3.41 114.93 126.49 2wj4 h MET 129 Ca -0.25 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 56.93 2wj4 h MET 129 Cb 1.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 2wj4 h MET 129 CO 1.13 0.24 -0.42 1.67 1.06 0.00 0.00 176.91 180.60 2wj4 s TRP 130 N -3.35 3.36 0.62 -0.22 -2.14 -1.26 -4.14 118.94 111.81 2wj4 s TRP 130 Ca 0.03 -0.07 -0.19 0.00 2.66 0.00 0.00 56.10 58.54 2wj4 s TRP 130 Cb 0.08 -1.65 -0.02 0.00 -3.10 0.00 0.00 33.47 28.78 2wj4 s TRP 130 CO 0.67 0.35 1.28 0.00 -2.66 0.00 0.00 176.95 176.59 2wj4 s ALA 131 N -2.03 2.47 -0.07 2.67 0.00 -1.26 -4.76 121.76 118.78 2wj4 s ALA 131 Ca 0.36 1.18 -0.36 0.00 0.00 0.00 0.00 51.96 53.15 2wj4 s ALA 131 Cb -0.09 -3.53 -0.14 0.00 0.00 0.00 0.00 23.12 19.36 2wj4 s ALA 131 CO 0.29 -1.47 1.71 -2.30 0.00 0.00 0.00 175.76 173.99 2wj4 n PRO 132 N -1.73 1.75 -1.21 0.00 -0.02 -1.26 -4.97 135.00 127.56 2wj4 n PRO 132 Ca 0.15 0.64 -0.30 0.00 -2.02 0.00 0.00 63.50 61.97 2wj4 n PRO 132 Cb 0.48 -2.40 0.14 0.00 -0.02 0.00 0.00 33.50 31.70 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 2.83 1.25 0.38 -0.52 -0.14 -1.26 -4.70 119.74 117.58 2wj4 s LYS 133 Ca 0.90 0.81 0.08 0.00 -1.36 0.00 0.00 55.97 56.41 2wj4 s LYS 133 Cb -0.83 -1.81 0.83 0.00 -1.68 0.00 0.00 37.83 34.34 2wj4 s LYS 133 CO 0.52 -2.24 1.95 -1.35 -0.76 0.00 0.00 175.35 173.47 2wj4 h PRO 134 N -1.55 0.64 -0.23 -1.68 0.11 -1.98 0.43 132.00 127.73 2wj4 h PRO 134 Ca -0.49 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.50 2wj4 h PRO 134 Cb 1.28 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2wj4 h PRO 134 CO 0.55 0.42 -0.14 -0.44 -0.21 0.00 0.00 178.00 178.18 2wj4 h ASP 135 N 0.66 0.53 -0.23 -2.05 5.19 -1.99 -1.37 116.42 117.15 2wj4 h ASP 135 Ca 0.33 -0.43 -0.18 0.00 -0.62 0.00 0.00 57.03 56.13 2wj4 h ASP 135 Cb 0.42 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.78 2wj4 h ASP 135 CO -0.11 0.84 -0.54 0.15 -3.12 0.00 0.00 179.24 176.46 2wj4 h PHE 136 N 0.22 1.03 -0.52 4.55 3.57 -1.77 -1.42 116.94 122.60 2wj4 h PHE 136 Ca 0.05 -0.36 0.06 0.00 3.53 0.00 0.00 57.97 61.25 2wj4 h PHE 136 Cb 0.65 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 2wj4 h PHE 136 CO 0.07 1.17 0.23 0.00 -2.23 0.00 0.00 178.31 177.55 2wj4 h ALA 137 N 0.75 0.65 -0.26 2.41 0.00 -0.93 -1.32 119.26 120.57 2wj4 h ALA 137 Ca 0.02 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2wj4 h ALA 137 Cb 1.13 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2wj4 h ALA 137 CO 0.12 -0.14 0.08 -0.22 0.00 0.00 0.00 179.25 179.09 2wj4 h LYS 138 N 0.44 0.19 -0.53 0.00 1.63 -1.01 -2.05 116.57 115.25 2wj4 h LYS 138 Ca 0.24 -0.01 0.09 0.00 -0.85 0.00 0.00 60.65 60.12 2wj4 h LYS 138 Cb 0.20 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 31.71 2wj4 h LYS 138 CO -0.20 0.13 0.10 0.77 -3.45 0.00 0.00 179.45 176.79 2wj4 h SER 139 N 0.20 -0.02 -0.95 4.20 0.02 -0.88 -1.03 113.55 115.08 2wj4 h SER 139 Ca 0.11 0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2wj4 h SER 139 Cb 0.08 0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.72 2wj4 h SER 139 CO -0.12 0.01 0.62 -0.07 -1.14 0.00 0.00 176.83 176.13 2wj4 h LEU 140 N 0.23 1.11 -0.88 5.07 3.38 -0.76 -1.21 115.31 122.26 2wj4 h LEU 140 Ca 0.27 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 2wj4 h LEU 140 Cb 0.38 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2wj4 h LEU 140 CO -0.36 0.81 0.04 0.71 0.09 0.00 0.00 178.44 179.73 2wj4 h THR 141 N 1.30 1.25 -0.38 0.22 1.35 -0.62 -2.15 112.91 113.88 2wj4 h THR 141 Ca 0.35 -0.99 -0.06 0.00 -0.55 0.00 0.00 66.41 65.16 2wj4 h THR 141 Cb -0.13 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.07 2wj4 h THR 141 CO -0.07 0.36 0.02 -0.07 -0.25 0.00 0.00 175.52 175.50 2wj4 h LEU 142 N 0.82 0.65 -1.39 3.87 4.07 -0.70 -2.98 115.31 119.65 2wj4 h LEU 142 Ca 0.16 -0.30 -0.02 0.00 0.08 0.00 0.00 57.88 57.81 2wj4 h LEU 142 Cb 0.43 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.98 2wj4 h LEU 142 CO 0.02 0.78 0.21 -0.07 -1.08 0.00 0.00 178.44 178.30 2wj4 h LEU 143 N 0.49 0.56 -1.28 1.67 3.38 -0.81 -1.86 115.31 117.45 2wj4 h LEU 143 Ca 0.11 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wj4 h LEU 143 Cb 0.44 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2wj4 h LEU 143 CO 0.02 0.48 0.00 0.11 0.09 0.00 0.00 178.44 179.14 2wj4 h LYS 144 N 0.62 0.00 -5.74 1.13 1.57 -1.26 -3.07 116.57 109.83 2wj4 h LYS 144 Ca 0.16 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.33 2wj4 h LYS 144 Cb 0.08 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.29 2wj4 h LYS 144 CO -0.02 0.00 0.38 0.34 -0.57 0.00 0.00 179.45 179.57 2wj4 s ASP 145 N -5.43 6.67 0.59 0.86 -1.08 -0.72 -4.92 116.67 112.63 2wj4 s ASP 145 Ca 0.02 0.70 0.34 0.00 -0.52 0.00 0.00 52.55 53.09 2wj4 s ASP 145 Cb 0.09 -2.40 1.83 0.00 -1.46 0.00 0.00 42.92 40.98 2wj4 s ASP 145 CO 0.52 -0.58 2.20 1.55 0.52 0.00 0.00 175.17 179.38 2wj4 h PRO 146 N 8.05 0.00 0.00 4.34 0.13 -1.86 0.76 132.00 143.43 2wj4 h PRO 146 Ca -0.24 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.64 2wj4 h PRO 146 Cb 1.10 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 2wj4 h PRO 146 CO 0.87 0.04 -1.28 0.93 -0.23 0.00 0.00 178.00 178.33 2wj4 h GLU 147 N 0.00 0.00 0.00 0.86 4.39 -1.92 -3.40 114.58 114.51 2wj4 h GLU 147 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2wj4 h GLU 147 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2wj4 h GLU 147 CO 0.01 0.81 -0.08 0.54 -1.16 0.00 0.00 179.01 179.12 2wj4 n ARG 148 N -3.23 1.35 -0.09 2.33 1.74 -0.61 -4.78 116.66 113.35 2wj4 n ARG 148 Ca -0.07 -1.98 -0.06 0.00 -0.77 0.00 0.00 57.85 54.97 2wj4 n ARG 148 Cb 0.99 -1.18 0.13 0.00 -1.02 0.00 0.00 32.46 31.38 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 0.84 -0.44 -1.55 5.08 -0.62 -1.03 115.95 118.23 2wj4 h TRP 149 Ca 0.00 -0.15 -0.07 0.00 1.08 0.00 0.00 58.89 59.75 2wj4 h TRP 149 Cb 0.96 -0.22 -0.02 0.00 -3.00 0.00 0.00 29.16 26.89 2wj4 h TRP 149 CO 0.02 0.84 0.01 -0.09 -1.28 0.00 0.00 178.44 177.93 2wj4 h ARG 150 N 0.70 0.76 -0.85 0.12 2.43 -1.86 -1.62 114.38 114.07 2wj4 h ARG 150 Ca 0.12 -0.24 0.06 0.00 -0.81 0.00 0.00 59.98 59.11 2wj4 h ARG 150 Cb 0.58 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 2wj4 h ARG 150 CO 0.04 0.83 0.55 1.49 -1.51 0.00 0.00 179.97 181.37 2wj4 h GLU 151 N 0.61 0.92 -0.11 0.20 4.81 -1.87 -1.46 114.58 117.69 2wj4 h GLU 151 Ca 0.12 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 2wj4 h GLU 151 Cb 0.48 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 2wj4 h GLU 151 CO 0.02 0.61 -0.10 0.78 -0.73 0.00 0.00 179.01 179.59 2wj4 h GLY 152 N 0.95 -0.02 1.25 1.92 0.00 -0.36 -2.44 103.07 104.37 2wj4 h GLY 152 Ca 0.36 0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.77 2wj4 h GLY 152 CO -0.13 -0.12 0.20 -0.91 0.00 0.00 0.00 176.54 175.58 2wj4 h THR 153 N -0.13 1.23 -0.54 4.70 1.35 -0.71 -2.61 112.91 116.21 2wj4 h THR 153 Ca 0.08 -0.80 -0.09 0.00 -0.55 0.00 0.00 66.41 65.05 2wj4 h THR 153 Cb 0.24 0.54 -0.02 0.00 -1.73 0.00 0.00 68.15 67.18 2wj4 h THR 153 CO -0.19 0.31 -0.02 0.45 -0.25 0.00 0.00 175.52 175.83 2wj4 h HIS 154 N 0.91 1.05 -0.59 4.73 -0.00 -1.19 0.14 115.15 120.21 2wj4 h HIS 154 Ca 0.21 -0.19 -0.03 0.00 -0.00 0.00 0.00 60.37 60.35 2wj4 h HIS 154 Cb 0.26 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.37 2wj4 h HIS 154 CO 0.02 0.96 0.23 0.78 -0.00 0.00 0.00 177.93 179.92 2wj4 h GLY 155 N 0.84 0.92 0.63 2.45 0.00 -1.32 -1.61 103.07 104.98 2wj4 h GLY 155 Ca 0.15 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 2wj4 h GLY 155 CO 0.03 0.45 -0.20 1.41 0.00 0.00 0.00 176.54 178.23 2wj4 h LEU 156 N 0.85 0.31 -0.86 3.11 3.38 -1.22 -2.64 115.31 118.24 2wj4 h LEU 156 Ca 0.20 -0.59 0.13 0.00 0.09 0.00 0.00 57.88 57.71 2wj4 h LEU 156 Cb 0.17 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 2wj4 h LEU 156 CO -0.02 0.84 0.47 -0.26 0.09 0.00 0.00 178.44 179.57 2wj4 h PHE 157 N -0.22 0.84 -0.45 1.13 0.04 -0.56 -1.04 116.94 116.68 2wj4 h PHE 157 Ca -0.00 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.82 2wj4 h PHE 157 Cb 0.81 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.68 2wj4 h PHE 157 CO 0.12 0.26 0.26 -0.44 -0.60 0.00 0.00 178.31 177.91 2wj4 h ASP 158 N 0.72 0.40 -0.67 2.17 3.32 -1.24 -1.73 116.42 119.39 2wj4 h ASP 158 Ca 0.45 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.49 2wj4 h ASP 158 Cb 0.56 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 2wj4 h ASP 158 CO -0.32 0.29 0.33 0.58 -1.72 0.00 0.00 179.24 178.40 2wj4 h VAL 159 N 0.51 1.22 -0.07 -1.35 2.07 -0.97 -2.27 116.25 115.39 2wj4 h VAL 159 Ca 0.18 -0.62 -0.19 0.00 0.82 0.00 0.00 66.70 66.89 2wj4 h VAL 159 Cb 0.03 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2wj4 h VAL 159 CO -0.09 0.26 -0.76 -0.50 0.02 0.00 0.00 177.57 176.50 2wj4 h TRP 160 N 0.93 0.57 0.00 1.57 6.55 -0.89 -2.97 115.95 121.71 2wj4 h TRP 160 Ca 0.23 -0.26 -0.16 0.00 0.95 0.00 0.00 58.89 59.65 2wj4 h TRP 160 Cb 0.11 -0.08 -0.02 0.00 -0.86 0.00 0.00 29.16 28.30 2wj4 h TRP 160 CO 0.00 1.02 -0.78 -0.07 -1.05 0.00 0.00 178.44 177.57 2wj4 h LEU 161 N 0.28 0.00 -0.17 -4.49 3.38 -1.36 -1.48 115.31 111.48 2wj4 h LEU 161 Ca -0.04 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.50 2wj4 h LEU 161 Cb 1.34 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.02 2wj4 h LEU 161 CO 0.13 0.78 -0.67 -0.67 0.09 0.00 0.00 178.44 178.10 2wj4 n ASP 162 N -3.31 -4.32 0.00 -0.43 2.03 -0.86 -1.35 116.55 108.32 2wj4 n ASP 162 Ca 0.01 -0.60 0.00 0.00 0.52 0.00 0.00 54.79 54.72 2wj4 n ASP 162 Cb 0.85 -3.51 0.00 0.00 -0.72 0.00 0.00 41.12 37.74 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 -1.42 0.67 3.80 0.27 0.00 -1.26 -5.04 105.19 102.20 2wj4 n GLY 163 Ca 0.01 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 3.48 -1.40 1.61 3.76 -0.45 -5.01 115.29 115.28 2wj4 s HIS 164 Ca 0.00 0.41 -0.11 0.00 -0.15 0.00 0.00 55.06 55.21 2wj4 s HIS 164 Cb 0.00 -2.00 0.08 0.00 1.11 0.00 0.00 32.58 31.77 2wj4 s HIS 164 CO 0.00 0.55 2.18 -3.47 -0.85 0.00 0.00 174.74 173.15 2wj4 n ASP 165 N 2.54 5.20 -4.35 1.40 2.03 -1.26 -4.92 116.55 117.20 2wj4 n ASP 165 Ca -0.19 -2.95 -0.46 0.00 0.52 0.00 0.00 54.79 51.72 2wj4 n ASP 165 Cb 0.54 -1.55 -0.04 0.00 -0.72 0.00 0.00 41.12 39.35 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 1.61 3.17 0.28 -0.67 2.56 -1.26 -4.94 118.70 119.46 2wj4 s GLU 166 Ca 0.47 -1.73 0.01 0.00 0.00 0.00 0.00 54.97 53.72 2wj4 s GLU 166 Cb 0.13 -4.36 0.59 0.00 2.00 0.00 0.00 34.13 32.49 2wj4 s GLU 166 CO -0.05 -1.43 1.80 -0.22 -0.56 0.00 0.00 175.26 174.80 2wj4 h LYS 167 N 8.76 0.80 -0.10 4.30 3.64 -1.99 -0.07 116.57 131.93 2wj4 h LYS 167 Ca -0.19 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 58.97 2wj4 h LYS 167 Cb 1.08 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 2wj4 h LYS 167 CO 1.01 0.53 -0.69 0.00 -2.27 0.00 0.00 179.45 178.03 2wj4 h ARG 168 N 0.83 0.42 0.14 1.90 3.08 -1.96 -2.27 114.38 116.51 2wj4 h ARG 168 Ca 0.50 -0.33 -0.21 0.00 0.07 0.00 0.00 59.98 60.02 2wj4 h ARG 168 Cb 0.63 0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.77 2wj4 h ARG 168 CO -0.32 0.96 -0.89 0.28 -1.07 0.00 0.00 179.97 178.92 2wj4 h VAL 169 N 0.30 1.46 -0.60 2.04 2.07 -1.70 -2.50 116.25 117.33 2wj4 h VAL 169 Ca -0.02 -2.49 0.09 0.00 0.82 0.00 0.00 66.70 65.10 2wj4 h VAL 169 Cb 1.25 3.07 -0.07 0.00 -1.52 0.00 0.00 31.29 34.02 2wj4 h VAL 169 CO 0.12 0.72 0.23 0.03 0.02 0.00 0.00 177.57 178.68 2wj4 h ARG 170 N -0.23 0.40 -0.89 1.57 3.08 -1.13 -1.13 114.38 116.04 2wj4 h ARG 170 Ca -0.15 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 59.92 2wj4 h ARG 170 Cb 1.68 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.58 2wj4 h ARG 170 CO 0.17 0.27 0.57 1.25 -1.07 0.00 0.00 179.97 181.15 2wj4 h HIS 171 N 0.41 1.06 -0.42 3.04 2.76 -1.39 -0.72 115.15 119.89 2wj4 h HIS 171 Ca 0.30 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.40 2wj4 h HIS 171 Cb 0.36 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 2wj4 h HIS 171 CO -0.16 0.59 -0.10 1.25 -1.30 0.00 0.00 177.93 178.20 2wj4 h HIS 172 N 1.08 0.91 -0.14 5.26 -0.00 -0.95 -0.11 115.15 121.20 2wj4 h HIS 172 Ca 0.37 -0.19 -0.09 0.00 -0.00 0.00 0.00 60.37 60.45 2wj4 h HIS 172 Cb 0.06 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.25 2wj4 h HIS 172 CO -0.02 0.92 -0.27 -0.07 -0.00 0.00 0.00 177.93 178.49 2wj4 h LEU 173 N 0.63 0.48 0.00 0.26 3.38 -1.02 -1.50 115.31 117.55 2wj4 h LEU 173 Ca 0.11 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2wj4 h LEU 173 Cb 0.63 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2wj4 h LEU 173 CO 0.04 0.95 -1.30 0.18 0.09 0.00 0.00 178.44 178.40 2wj4 n LEU 174 N -4.42 0.55 -0.03 1.67 4.77 -0.29 -3.79 117.00 115.45 2wj4 n LEU 174 Ca -0.07 0.15 -0.07 0.00 -0.03 0.00 0.00 56.01 55.99 2wj4 n LEU 174 Cb 0.46 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 2wj4 n LEU 174 CO 0.42 -0.08 -0.68 1.21 -1.33 0.00 0.00 177.39 176.93 2wj4 n GLU 175 N -2.38 0.15 0.18 3.23 4.07 -0.10 -4.48 120.64 121.30 2wj4 n GLU 175 Ca -0.01 0.06 0.13 0.00 -0.06 0.00 0.00 57.16 57.29 2wj4 n GLU 175 Cb 0.53 -0.75 0.32 0.00 -0.06 0.00 0.00 31.44 31.47 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 -0.25 0.00 -0.39 5.31 5.08 -1.13 -2.47 114.58 120.72 2wj4 h GLU 176 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2wj4 h GLU 176 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2wj4 h GLU 176 CO -0.10 0.00 0.00 -1.33 -1.00 0.00 0.00 179.01 176.58 2wj4 n MET 177 N -2.74 2.38 0.09 2.33 2.81 -0.59 -4.73 117.12 116.68 2wj4 n MET 177 Ca 0.04 -2.16 0.01 0.00 -1.81 0.00 0.00 57.70 53.79 2wj4 n MET 177 Cb 0.46 -1.43 0.34 0.00 -0.71 0.00 0.00 33.22 31.88 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 3.55 1.40 -0.00 3.04 0.00 -1.61 -2.67 119.26 122.97 2wj4 h ALA 178 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2wj4 h ALA 178 Cb 0.86 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2wj4 h ALA 178 CO 0.00 0.41 -0.01 -0.25 0.00 0.00 0.00 179.25 179.40 2wj4 n ASP 179 N -4.23 0.47 -4.77 0.00 8.00 -1.26 -4.81 116.55 109.95 2wj4 n ASP 179 Ca -0.01 -1.05 -0.39 0.00 0.71 0.00 0.00 54.79 54.05 2wj4 n ASP 179 Cb 0.31 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 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 -2.08 3.76 0.06 1.24 1.51 -1.01 -4.68 117.35 116.15 2wj4 s TYR 180 Ca 0.42 1.36 0.00 0.00 -1.01 0.00 0.00 57.07 57.84 2wj4 s TYR 180 Cb 0.21 -2.67 0.00 0.00 -0.11 0.00 0.00 41.96 39.39 2wj4 s TYR 180 CO 0.38 0.40 0.01 0.41 -1.11 0.00 0.00 175.55 175.64 2wj4 n GLY 181 N 2.16 3.89 0.33 0.71 0.00 -1.26 -4.97 105.19 106.05 2wj4 n GLY 181 Ca -0.06 -2.22 0.13 0.00 0.00 0.00 0.00 46.02 43.87 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 0.92 0.12 -0.97 1.61 3.20 -1.97 -0.64 116.97 119.24 2wj4 h TYR 182 Ca -0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2wj4 h TYR 182 Cb 0.15 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.33 2wj4 h TYR 182 CO 0.00 0.06 0.61 0.22 -1.64 0.00 0.00 178.16 177.42 2wj4 h ASP 183 N 0.12 1.15 0.23 -2.11 3.58 -1.97 0.16 116.42 117.57 2wj4 h ASP 183 Ca 0.16 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2wj4 h ASP 183 Cb 0.50 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2wj4 h ASP 183 CO -0.02 0.86 -0.11 0.00 -2.88 0.00 0.00 179.24 177.09 2wj4 h TRP 185 N -1.06 0.62 -0.60 0.00 4.06 -1.20 -0.19 115.95 117.59 2wj4 h TRP 185 Ca -0.03 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 2wj4 h TRP 185 Cb 0.29 -0.21 -0.03 0.00 -1.00 0.00 0.00 29.16 28.22 2wj4 h TRP 185 CO 0.02 0.38 0.24 0.78 -3.56 0.00 0.00 178.44 176.29 2wj4 h GLY 186 N 0.67 0.94 0.86 1.49 0.00 -0.58 -2.15 103.07 104.30 2wj4 h GLY 186 Ca 0.20 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 2wj4 h GLY 186 CO -0.07 0.46 0.00 -0.09 0.00 0.00 0.00 176.54 176.84 2wj4 h ARG 187 N 0.87 0.47 -0.56 4.80 2.43 -1.33 -2.43 114.38 118.62 2wj4 h ARG 187 Ca 0.20 -0.15 0.09 0.00 -0.81 0.00 0.00 59.98 59.32 2wj4 h ARG 187 Cb 0.18 -0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.61 2wj4 h ARG 187 CO -0.02 0.63 0.16 0.66 -1.51 0.00 0.00 179.97 179.89 2wj4 h SER 188 N 0.25 0.11 -0.75 -3.80 4.64 -0.80 0.24 113.55 113.44 2wj4 h SER 188 Ca 0.08 0.08 0.05 0.00 -0.47 0.00 0.00 61.79 61.53 2wj4 h SER 188 Cb 0.41 0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.54 2wj4 h SER 188 CO 0.01 0.08 0.46 1.23 -0.87 0.00 0.00 176.83 177.74 2wj4 h GLY 189 N 0.32 1.11 0.60 -0.77 0.00 -1.35 0.11 103.07 103.10 2wj4 h GLY 189 Ca 0.28 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 2wj4 h GLY 189 CO -0.32 0.24 -0.15 3.21 0.00 0.00 0.00 176.54 179.52 2wj4 h ARG 190 N 0.86 0.22 -0.68 4.80 3.08 -0.70 -2.50 114.38 119.45 2wj4 h ARG 190 Ca 0.32 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 2wj4 h ARG 190 Cb 0.13 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 2wj4 h ARG 190 CO -0.15 0.74 0.23 0.28 -1.07 0.00 0.00 179.97 180.00 2wj4 h VAL 191 N -0.28 1.25 -0.13 2.04 2.07 -0.31 -0.44 116.25 120.45 2wj4 h VAL 191 Ca 0.00 -0.84 -0.12 0.00 0.82 0.00 0.00 66.70 66.56 2wj4 h VAL 191 Cb 0.74 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2wj4 h VAL 191 CO 0.03 0.33 -0.38 0.40 0.02 0.00 0.00 177.57 177.97 2wj4 h ILE 192 N 0.99 1.37 -0.32 4.57 2.04 -0.86 0.18 117.51 125.47 2wj4 h ILE 192 Ca 0.22 -1.68 0.03 0.00 1.00 0.00 0.00 64.86 64.43 2wj4 h ILE 192 Cb 0.27 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.42 2wj4 h ILE 192 CO -0.01 0.50 0.14 -0.08 0.00 0.00 0.00 178.15 178.71 2wj4 h GLU 193 N 0.09 0.29 -0.44 2.37 4.81 -1.42 -2.12 114.58 118.17 2wj4 h GLU 193 Ca -0.01 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2wj4 h GLU 193 Cb 1.01 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 2wj4 h GLU 193 CO 0.08 0.19 0.24 0.22 -0.73 0.00 0.00 179.01 179.02 2wj4 h ASP 194 N 0.30 0.38 -0.24 1.04 3.58 -0.99 -2.20 116.42 118.29 2wj4 h ASP 194 Ca 0.14 0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.65 2wj4 h ASP 194 Cb 0.08 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.01 2wj4 h ASP 194 CO -0.12 0.27 -0.09 0.00 -2.88 0.00 0.00 179.24 176.42 2wj4 h ALA 195 N 1.21 0.12 -0.73 -0.78 0.00 -0.23 0.64 119.26 119.49 2wj4 h ALA 195 Ca 0.18 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 2wj4 h ALA 195 Cb 0.04 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2wj4 h ALA 195 CO -0.10 -0.50 0.29 1.88 0.00 0.00 0.00 179.25 180.82 2wj4 h TYR 196 N -0.05 1.11 -0.06 0.00 -1.99 -1.42 -0.49 116.97 114.08 2wj4 h TYR 196 Ca 0.13 -0.08 0.03 0.00 2.00 0.00 0.00 58.73 60.80 2wj4 h TYR 196 Cb 0.24 -0.33 -0.03 0.00 2.00 0.00 0.00 36.73 38.61 2wj4 h TYR 196 CO -0.27 0.85 -0.10 0.78 -0.00 0.00 0.00 178.16 179.42 2wj4 h GLY 197 N 1.05 -0.06 1.66 3.88 0.00 -0.70 0.37 103.07 109.27 2wj4 h GLY 197 Ca 0.24 0.12 -0.25 0.00 0.00 0.00 0.00 47.33 47.44 2wj4 h GLY 197 CO -0.02 -0.11 -1.14 0.07 0.00 0.00 0.00 176.54 175.34 2wj4 h ARG 198 N -0.14 0.26 -0.00 4.80 0.11 -0.87 -3.35 114.38 115.20 2wj4 h ARG 198 Ca 0.06 -0.40 0.00 0.00 0.10 0.00 0.00 59.98 59.74 2wj4 h ARG 198 Cb 0.22 0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.44 2wj4 h ARG 198 CO -0.14 1.16 -0.83 0.09 0.10 0.00 0.00 179.97 180.35 2wj4 n ASN 199 N -3.56 0.84 0.00 0.08 4.13 -0.20 -5.02 115.26 111.53 2wj4 n ASN 199 Ca -0.07 -0.92 0.00 0.00 1.68 0.00 0.00 54.58 55.27 2wj4 n ASN 199 Cb 0.97 1.00 0.00 0.00 -1.54 0.00 0.00 39.78 40.20 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 1.42 1.94 3.66 7.41 0.00 0.13 -3.75 105.19 116.00 2wj4 n GLY 200 Ca 0.03 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 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 0.30 1.61 1.04 -1.26 -4.51 113.70 110.63 2wj4 s SER 201 Ca 0.00 -0.26 0.04 0.00 0.48 0.00 0.00 55.95 56.21 2wj4 s SER 201 Cb 0.00 0.46 0.66 0.00 0.10 0.00 0.00 66.02 67.23 2wj4 s SER 201 CO 0.00 -0.81 1.82 -0.65 0.98 0.00 0.00 173.24 174.58 2wj4 h PRO 202 N 2.00 0.85 -0.21 4.02 0.11 -1.80 -1.29 132.00 135.69 2wj4 h PRO 202 Ca -0.24 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 2wj4 h PRO 202 Cb 1.24 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2wj4 h PRO 202 CO 0.28 0.56 0.03 0.52 -0.21 0.00 0.00 178.00 179.18 2wj4 h MET 203 N 0.88 0.34 -0.35 1.05 2.86 -1.93 0.06 114.93 117.85 2wj4 h MET 203 Ca 0.52 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 58.10 2wj4 h MET 203 Cb 0.66 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.24 2wj4 h MET 203 CO -0.29 0.50 0.12 0.37 1.06 0.00 0.00 176.91 178.67 2wj4 h GLN 204 N 0.14 0.26 -0.38 1.72 5.75 -1.76 0.10 115.11 120.94 2wj4 h GLN 204 Ca 0.06 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.58 2wj4 h GLN 204 Cb 0.32 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 2wj4 h GLN 204 CO 0.00 0.17 0.18 1.98 -2.65 0.00 0.00 178.83 178.52 2wj4 h MET 205 N 0.27 0.36 -0.38 1.69 4.05 -1.13 -1.59 114.93 118.19 2wj4 h MET 205 Ca 0.16 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.51 2wj4 h MET 205 Cb 0.13 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 2wj4 h MET 205 CO -0.16 0.24 0.07 0.52 0.23 0.00 0.00 176.91 177.81 2wj4 h MET 206 N 0.37 0.63 0.00 0.39 2.86 -0.63 -2.42 114.93 116.12 2wj4 h MET 206 Ca 0.17 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2wj4 h MET 206 Cb 0.09 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 2wj4 h MET 206 CO -0.13 0.68 -0.01 0.00 1.06 0.00 0.00 176.91 178.51 2wj4 h ALA 207 N 0.92 1.17 -0.02 6.32 0.00 -0.47 -2.07 119.26 125.12 2wj4 h ALA 207 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wj4 h ALA 207 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2wj4 h ALA 207 CO 0.01 0.01 -0.01 0.09 0.00 0.00 0.00 179.25 179.35 2wj4 n ASN 208 N -3.34 1.68 -4.69 0.00 3.02 -0.63 -4.92 115.26 106.37 2wj4 n ASN 208 Ca -0.03 -1.55 -0.41 0.00 -0.03 0.00 0.00 54.58 52.57 2wj4 n ASN 208 Cb 0.10 0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.29 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 0.30 3.81 -0.16 3.41 4.77 -0.78 -4.88 117.00 123.48 2wj4 n LEU 209 Ca 0.18 1.10 -0.08 0.00 -0.03 0.00 0.00 56.01 57.18 2wj4 n LEU 209 Cb 0.39 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.00 2wj4 n LEU 209 CO 0.17 -0.75 0.95 0.74 -1.33 0.00 0.00 177.39 177.16 2wj4 h THR 210 N 2.03 1.20 -3.37 -5.08 2.02 -1.91 -3.37 112.91 104.43 2wj4 h THR 210 Ca -0.47 -0.61 -0.63 0.00 0.77 0.00 0.00 66.41 65.46 2wj4 h THR 210 Cb 1.30 0.74 -0.40 0.00 -1.74 0.00 0.00 68.15 68.05 2wj4 h THR 210 CO 0.60 0.23 -0.69 -0.54 0.37 0.00 0.00 175.52 175.49 2wj4 s LYS 211 N -5.58 1.55 0.58 6.66 -0.14 -1.26 -5.11 119.74 116.45 2wj4 s LYS 211 Ca -0.13 -2.11 -0.17 0.00 -1.36 0.00 0.00 55.97 52.20 2wj4 s LYS 211 Cb 0.11 -2.95 -0.04 0.00 -1.68 0.00 0.00 37.83 33.27 2wj4 s LYS 211 CO 0.76 -1.05 1.10 0.95 -0.76 0.00 0.00 175.35 176.35 2wj4 s THR 212 N 0.40 3.39 0.22 2.17 -4.23 -1.26 -4.87 115.64 111.46 2wj4 s THR 212 Ca 0.15 0.75 -0.23 0.00 -1.18 0.00 0.00 61.69 61.17 2wj4 s THR 212 Cb -0.23 -3.26 0.04 0.00 1.34 0.00 0.00 72.50 70.39 2wj4 s THR 212 CO -0.05 -0.30 0.84 0.00 -0.54 0.00 0.00 174.62 174.57 2wj4 s ARG 213 N -3.70 1.49 0.00 3.99 1.70 -1.26 -5.10 118.95 116.07 2wj4 s ARG 213 Ca 0.68 -0.83 -0.30 0.00 -0.47 0.00 0.00 55.73 54.82 2wj4 s ARG 213 Cb -0.20 0.51 -0.08 0.00 -0.57 0.00 0.00 34.95 34.60 2wj4 s ARG 213 CO 0.33 -0.68 1.94 -2.14 -1.08 0.00 0.00 175.30 173.67 2wj4 s PRO 214 N -3.58 4.07 -0.04 3.89 0.02 -1.26 -4.77 135.00 133.32 2wj4 s PRO 214 Ca 0.12 2.51 0.04 0.00 0.02 0.00 0.00 61.00 63.68 2wj4 s PRO 214 Cb -0.04 -4.16 -0.00 0.00 0.02 0.00 0.00 34.50 30.33 2wj4 s PRO 214 CO 0.05 -1.03 -0.16 0.42 -0.33 0.00 0.00 177.00 175.95 2wj4 s ILE 215 N 4.70 1.32 -0.12 2.83 1.01 -0.68 -2.00 121.20 128.26 2wj4 s ILE 215 Ca 0.87 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.90 2wj4 s ILE 215 Cb -0.41 -1.14 -0.00 0.00 0.01 0.00 0.00 42.46 40.92 2wj4 s ILE 215 CO 0.39 0.38 -0.21 -0.60 0.00 0.00 0.00 174.94 174.91 2wj4 s ARG 216 N 0.09 3.13 -0.37 2.79 3.52 -0.92 -1.51 118.95 125.68 2wj4 s ARG 216 Ca -0.04 -0.83 -0.19 0.00 -0.13 0.00 0.00 55.73 54.54 2wj4 s ARG 216 Cb -0.11 -2.41 0.00 0.00 -1.56 0.00 0.00 34.95 30.87 2wj4 s ARG 216 CO 0.02 0.15 0.58 -1.58 -0.81 0.00 0.00 175.30 173.66 2wj4 s HIS 217 N 0.43 3.15 -0.20 5.12 5.65 0.11 -1.48 115.29 128.07 2wj4 s HIS 217 Ca -0.15 0.19 -0.06 0.00 0.25 0.00 0.00 55.06 55.29 2wj4 s HIS 217 Cb -0.17 -3.08 -0.03 0.00 -1.18 0.00 0.00 32.58 28.12 2wj4 s HIS 217 CO 0.06 -0.64 0.03 0.96 -0.65 0.00 0.00 174.74 174.51 2wj4 s ILE 218 N 2.58 4.24 0.06 0.89 -4.36 -0.32 -1.16 121.20 123.14 2wj4 s ILE 218 Ca 0.21 -0.22 -0.15 0.00 -0.26 0.00 0.00 60.65 60.24 2wj4 s ILE 218 Cb -0.15 -2.92 0.03 0.00 1.25 0.00 0.00 42.46 40.66 2wj4 s ILE 218 CO 0.15 0.42 0.35 0.72 0.24 0.00 0.00 174.94 176.82 2wj4 s PHE 219 N 0.92 -0.16 -0.05 1.37 -0.71 -0.89 -0.52 117.98 117.93 2wj4 s PHE 219 Ca 0.02 -0.00 0.09 0.00 -1.04 0.00 0.00 56.93 56.00 2wj4 s PHE 219 Cb -0.14 0.15 -0.14 0.00 -1.21 0.00 0.00 43.02 41.68 2wj4 s PHE 219 CO 0.02 -0.56 0.14 0.43 -1.34 0.00 0.00 175.22 173.91 2wj4 n SER 220 N 0.37 2.67 -4.17 1.98 7.64 -1.26 -1.06 113.62 119.79 2wj4 n SER 220 Ca -0.18 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.60 2wj4 n SER 220 Cb 0.61 1.16 -0.10 0.00 -1.01 0.00 0.00 64.21 64.87 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 -2.51 0.89 0.75 1.43 -2.07 -1.26 -4.34 119.66 112.55 2wj4 s GLN 221 Ca -0.04 -1.40 -0.14 0.00 -1.82 0.00 0.00 55.36 51.96 2wj4 s GLN 221 Cb 0.05 -0.02 0.05 0.00 -1.09 0.00 0.00 33.01 32.00 2wj4 s GLN 221 CO 0.41 -0.13 1.19 -2.14 -1.32 0.00 0.00 175.29 173.30 2wj4 s PRO 222 N -3.93 2.04 0.04 9.60 0.02 -1.26 -4.76 135.00 136.75 2wj4 s PRO 222 Ca 0.18 1.71 0.23 0.00 0.02 0.00 0.00 61.00 63.14 2wj4 s PRO 222 Cb 0.07 -1.83 0.17 0.00 0.02 0.00 0.00 34.50 32.93 2wj4 s PRO 222 CO -0.02 -1.90 1.14 0.25 -0.33 0.00 0.00 177.00 176.14 2wj4 n THR 223 N -2.90 0.14 -2.37 0.99 -2.24 -1.26 -4.77 114.28 101.87 2wj4 n THR 223 Ca 0.13 -0.17 -0.34 0.00 -2.27 0.00 0.00 64.05 61.39 2wj4 n THR 223 Cb 0.51 0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.96 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 -3.13 3.55 0.47 -0.78 8.01 -1.26 -4.93 118.70 120.63 2wj4 s GLU 224 Ca 0.06 1.46 0.18 0.00 0.01 0.00 0.00 54.97 56.68 2wj4 s GLU 224 Cb 0.15 -2.05 1.14 0.00 -4.31 0.00 0.00 34.13 29.07 2wj4 s GLU 224 CO 0.77 -0.66 2.02 -1.00 0.01 0.00 0.00 175.26 176.40 2wj4 h PRO 225 N 1.29 0.00 0.00 0.39 0.13 -2.00 -1.49 132.00 130.32 2wj4 h PRO 225 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2wj4 h PRO 225 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2wj4 h PRO 225 CO 0.58 0.16 -0.13 0.93 -0.23 0.00 0.00 178.00 179.31 2wj4 h GLU 226 N 0.00 0.00 -0.03 0.86 3.07 -1.98 -1.32 114.58 115.18 2wj4 h GLU 226 Ca -0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 2wj4 h GLU 226 Cb 0.32 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.23 2wj4 h GLU 226 CO 0.02 0.13 -0.37 -0.92 -1.40 0.00 0.00 179.01 176.47 2wj4 h TYR 227 N 0.00 0.43 -0.95 4.33 3.20 -1.62 -2.82 116.97 119.54 2wj4 h TYR 227 Ca -0.00 -0.21 0.16 0.00 3.14 0.00 0.00 58.73 61.82 2wj4 h TYR 227 Cb 0.25 -0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.38 2wj4 h TYR 227 CO 0.00 0.99 0.60 1.49 -1.64 0.00 0.00 178.16 179.60 2wj4 h GLU 228 N -0.26 0.70 -0.43 1.82 4.22 -1.36 -2.59 114.58 116.67 2wj4 h GLU 228 Ca -0.04 -0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.31 2wj4 h GLU 228 Cb 1.08 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2wj4 h GLU 228 CO 0.07 0.46 0.06 -0.22 -2.18 0.00 0.00 179.01 177.20 2wj4 h LYS 229 N 0.72 0.72 -0.15 1.92 3.64 -1.10 -0.40 116.57 121.92 2wj4 h LYS 229 Ca 0.50 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.62 2wj4 h LYS 229 Cb 0.81 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 2wj4 h LYS 229 CO -0.26 0.76 -0.15 -0.84 -2.27 0.00 0.00 179.45 176.70 2wj4 h ILE 230 N 0.58 1.19 -0.25 2.00 3.07 -1.22 0.34 117.51 123.21 2wj4 h ILE 230 Ca 0.13 -0.83 -0.05 0.00 1.55 0.00 0.00 64.86 65.66 2wj4 h ILE 230 Cb 0.40 1.24 -0.01 0.00 -0.27 0.00 0.00 36.82 38.18 2wj4 h ILE 230 CO 0.01 0.26 -0.05 0.78 -1.05 0.00 0.00 178.15 178.10 2wj4 h ASN 231 N 0.23 0.48 -0.32 2.16 2.35 -1.06 -1.62 115.58 117.79 2wj4 h ASN 231 Ca 0.04 -0.35 -0.14 0.00 -0.55 0.00 0.00 56.30 55.30 2wj4 h ASN 231 Cb 0.40 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 2wj4 h ASN 231 CO 0.02 0.72 -0.32 0.77 -1.65 0.00 0.00 177.43 176.98 2wj4 h SER 232 N 0.23 0.89 -0.76 5.81 4.64 -0.83 -0.46 113.55 123.07 2wj4 h SER 232 Ca 0.07 -0.37 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 2wj4 h SER 232 Cb 0.50 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.31 2wj4 h SER 232 CO 0.02 1.13 0.44 0.44 -0.87 0.00 0.00 176.83 177.99 2wj4 h ASP 233 N 0.71 0.92 -0.51 4.97 3.32 -0.95 -0.16 116.42 124.72 2wj4 h ASP 233 Ca 0.08 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 56.95 2wj4 h ASP 233 Cb 0.87 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 2wj4 h ASP 233 CO 0.08 0.73 -0.07 0.15 -1.72 0.00 0.00 179.24 178.41 2wj4 h PHE 234 N 1.04 1.06 -0.21 4.55 3.04 -1.08 -2.67 116.94 122.66 2wj4 h PHE 234 Ca 0.27 -0.21 -0.08 0.00 3.98 0.00 0.00 57.97 61.93 2wj4 h PHE 234 Cb -0.01 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.22 2wj4 h PHE 234 CO -0.01 1.00 -0.20 0.00 -2.02 0.00 0.00 178.31 177.08 2wj4 h ALA 235 N 0.92 1.26 -0.16 2.41 0.00 -0.82 -2.06 119.26 120.81 2wj4 h ALA 235 Ca 0.14 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2wj4 h ALA 235 Cb 0.62 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2wj4 h ALA 235 CO 0.04 0.49 -0.36 0.93 0.00 0.00 0.00 179.25 180.34 2wj4 h GLU 236 N 0.35 0.34 0.00 0.00 5.08 -0.84 -3.10 114.58 116.40 2wj4 h GLU 236 Ca 0.06 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 2wj4 h GLU 236 Cb 0.55 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2wj4 h GLU 236 CO 0.04 0.66 -0.54 0.37 -1.00 0.00 0.00 179.01 178.54 2wj4 h GLN 237 N 0.29 0.00 -4.15 2.33 4.15 -1.13 -3.44 115.11 113.16 2wj4 h GLN 237 Ca 0.03 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.87 2wj4 h GLN 237 Cb 0.78 0.00 -0.39 0.00 0.21 0.00 0.00 27.48 28.08 2wj4 h GLN 237 CO 0.06 0.54 -0.78 -1.01 -1.93 0.00 0.00 178.83 175.71 2wj4 s HIS 238 N -2.97 2.05 0.53 3.99 3.76 -0.81 -5.00 115.29 116.85 2wj4 s HIS 238 Ca 0.04 -1.54 0.22 0.00 -0.15 0.00 0.00 55.06 53.63 2wj4 s HIS 238 Cb 0.08 -1.44 1.39 0.00 1.11 0.00 0.00 32.58 33.71 2wj4 s HIS 238 CO 0.75 -0.73 2.06 -1.35 -0.85 0.00 0.00 174.74 174.62 2wj4 h PRO 239 N 8.03 0.00 0.00 8.40 0.11 -1.86 -2.08 132.00 144.59 2wj4 h PRO 239 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2wj4 h PRO 239 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2wj4 h PRO 239 CO 0.39 0.00 -0.02 0.11 -0.21 0.00 0.00 178.00 178.27 2wj4 h TRP 240 N 0.00 0.00 -2.94 0.65 5.08 -1.90 -3.46 115.95 113.38 2wj4 h TRP 240 Ca 0.14 0.00 -0.63 0.00 1.08 0.00 0.00 58.89 59.48 2wj4 h TRP 240 Cb 0.59 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.66 2wj4 h TRP 240 CO 0.00 0.00 -0.44 0.12 -1.28 0.00 0.00 178.44 176.84 2wj4 s PHE 241 N -3.13 3.54 0.14 0.12 5.36 -0.78 -1.68 117.98 121.53 2wj4 s PHE 241 Ca 0.09 0.52 -0.01 0.00 -0.96 0.00 0.00 56.93 56.58 2wj4 s PHE 241 Cb 0.10 -2.08 -0.04 0.00 -0.34 0.00 0.00 43.02 40.66 2wj4 s PHE 241 CO 0.62 0.54 0.06 -1.54 -1.46 0.00 0.00 175.22 173.43 2wj4 s SER 242 N -0.44 0.39 0.10 6.13 1.04 -0.57 -4.66 113.70 115.69 2wj4 s SER 242 Ca 0.14 -1.22 -0.05 0.00 0.48 0.00 0.00 55.95 55.30 2wj4 s SER 242 Cb -0.12 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 2wj4 s SER 242 CO 0.03 -0.72 0.12 -0.72 0.98 0.00 0.00 173.24 172.93 2wj4 s TYR 243 N -4.02 0.46 -0.08 5.02 1.13 -1.26 -0.71 117.35 117.89 2wj4 s TYR 243 Ca 0.25 -0.90 -0.03 0.00 -1.41 0.00 0.00 57.07 54.98 2wj4 s TYR 243 Cb 0.07 -0.24 0.05 0.00 -1.10 0.00 0.00 41.96 40.74 2wj4 s TYR 243 CO 0.03 -0.53 0.16 0.00 -2.51 0.00 0.00 175.55 172.69 2wj4 s ALA 244 N -3.94 -0.18 -0.21 9.51 0.00 -0.31 -4.93 121.76 121.71 2wj4 s ALA 244 Ca 0.12 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 2wj4 s ALA 244 Cb 0.06 -0.77 0.01 0.00 0.00 0.00 0.00 23.12 22.41 2wj4 s ALA 244 CO -0.06 -0.51 1.04 0.21 0.00 0.00 0.00 175.76 176.44 2wj4 s LYS 245 N 2.15 4.28 0.12 0.00 2.20 -1.26 -2.10 119.74 125.12 2wj4 s LYS 245 Ca 0.01 1.37 0.21 0.00 -0.36 0.00 0.00 55.97 57.21 2wj4 s LYS 245 Cb -0.12 -3.63 -0.10 0.00 -1.51 0.00 0.00 37.83 32.47 2wj4 s LYS 245 CO -0.06 -0.59 0.86 1.28 -0.36 0.00 0.00 175.35 176.49 2wj4 n LEU 246 N 6.14 0.68 -0.37 5.43 4.77 -0.23 -4.97 117.00 128.46 2wj4 n LEU 246 Ca 0.12 0.28 -0.05 0.00 -0.03 0.00 0.00 56.01 56.32 2wj4 n LEU 246 Cb 0.46 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 2wj4 n LEU 246 CO 0.52 -0.05 -0.05 0.61 -1.33 0.00 0.00 177.39 177.09 2wj4 n GLY 247 N 1.27 0.73 3.80 -0.72 0.00 -1.26 -5.00 105.19 104.01 2wj4 n GLY 247 Ca -0.04 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.59 1.63 0.29 -0.02 0.00 -1.26 -4.97 107.32 100.39 2wj4 s GLY 248 Ca 0.00 -0.18 0.14 0.00 0.00 0.00 0.00 44.72 44.69 2wj4 s GLY 248 CO 0.00 0.24 1.55 -0.56 0.00 0.00 0.00 173.10 174.33 2wj4 h PRO 249 N -1.08 0.00 -5.18 2.90 0.13 -1.94 -3.45 132.00 123.38 2wj4 h PRO 249 Ca -0.47 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.10 2wj4 h PRO 249 Cb 1.26 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 2wj4 h PRO 249 CO 0.59 0.56 -0.55 0.95 -0.23 0.00 0.00 178.00 179.32 2wj4 s THR 250 N -3.25 1.01 -0.68 1.56 -4.23 -1.26 -4.70 115.64 104.09 2wj4 s THR 250 Ca 0.01 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.64 2wj4 s THR 250 Cb 0.10 -2.49 0.12 0.00 1.34 0.00 0.00 72.50 71.56 2wj4 s THR 250 CO 0.74 0.00 1.37 1.57 -0.54 0.00 0.00 174.62 177.76 2wj4 n HIS 251 N -0.93 0.34 -3.55 3.99 -0.00 -0.56 -4.17 115.22 110.35 2wj4 n HIS 251 Ca -0.08 0.16 -0.33 0.00 -0.00 0.00 0.00 57.72 57.48 2wj4 n HIS 251 Cb 0.66 -0.76 -0.07 0.00 -0.00 0.00 0.00 29.99 29.82 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 -1.83 3.63 0.24 1.57 3.01 -1.26 -4.81 117.46 118.00 2wj4 n PHE 252 Ca 0.00 -3.97 0.09 0.00 1.01 0.00 0.00 57.45 54.58 2wj4 n PHE 252 Cb 0.07 -0.89 0.61 0.00 -0.01 0.00 0.00 39.48 39.26 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 5.27 0.00 0.00 -1.08 0.13 -1.94 -0.45 132.00 133.93 2wj4 h PRO 253 Ca 0.18 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 2wj4 h PRO 253 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 2wj4 h PRO 253 CO 0.89 0.15 -0.09 0.00 -0.23 0.00 0.00 178.00 178.72 2wj4 h ALA 254 N 1.85 1.61 0.01 -0.56 0.00 -1.89 -0.12 119.26 120.16 2wj4 h ALA 254 Ca -0.00 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.56 2wj4 h ALA 254 Cb 0.31 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2wj4 h ALA 254 CO 0.02 0.11 -1.48 -0.89 0.00 0.00 0.00 179.25 177.02 2wj4 n ILE 255 N -4.08 1.56 0.06 0.00 5.41 -0.63 -3.94 119.36 117.74 2wj4 n ILE 255 Ca -0.03 -0.12 0.06 0.00 1.00 0.00 0.00 62.75 63.66 2wj4 n ILE 255 Cb 0.18 -1.99 -0.05 0.00 -0.71 0.00 0.00 39.64 37.07 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 -4.32 0.83 -2.97 4.38 5.68 -0.27 -4.38 116.55 115.49 2wj4 n ASP 256 Ca -0.35 0.34 -0.18 0.00 -0.50 0.00 0.00 54.79 54.10 2wj4 n ASP 256 Cb 0.74 0.35 -0.02 0.00 -1.14 0.00 0.00 41.12 41.05 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 -2.77 0.87 -0.02 2.12 0.24 -0.08 -4.94 118.33 113.75 2wj4 n VAL 257 Ca -0.05 -4.45 0.02 0.00 -2.04 0.00 0.00 64.34 57.82 2wj4 n VAL 257 Cb 0.70 -0.33 0.37 0.00 -1.47 0.00 0.00 33.84 33.11 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 2.96 0.57 -0.39 7.34 0.13 -1.65 -1.02 132.00 139.94 2wj4 h PRO 258 Ca 0.08 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.12 2wj4 h PRO 258 Cb 0.93 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 2wj4 h PRO 258 CO 0.58 0.44 0.13 0.38 -0.23 0.00 0.00 178.00 179.31 2wj4 h ASP 259 N 0.57 0.51 0.13 1.44 2.03 -1.91 0.16 116.42 119.35 2wj4 h ASP 259 Ca 0.15 -0.06 -0.21 0.00 -0.73 0.00 0.00 57.03 56.18 2wj4 h ASP 259 Cb 0.06 -0.13 0.02 0.00 -0.83 0.00 0.00 39.33 38.45 2wj4 h ASP 259 CO -0.02 0.49 -0.89 0.03 -1.03 0.00 0.00 179.24 177.82 2wj4 h ARG 260 N 0.56 0.37 -0.68 4.15 2.47 -1.59 -2.74 114.38 116.92 2wj4 h ARG 260 Ca 0.14 -0.58 0.09 0.00 -1.26 0.00 0.00 59.98 58.37 2wj4 h ARG 260 Cb 0.16 0.21 -0.07 0.00 -1.65 0.00 0.00 29.97 28.61 2wj4 h ARG 260 CO -0.01 1.26 0.32 0.00 0.56 0.00 0.00 179.97 182.09 2wj4 h ALA 261 N 0.15 0.93 -0.64 0.04 0.00 -1.25 -2.61 119.26 115.89 2wj4 h ALA 261 Ca -0.15 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2wj4 h ALA 261 Cb 1.67 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 2wj4 h ALA 261 CO 0.17 -0.09 0.36 0.00 0.00 0.00 0.00 179.25 179.68 2wj4 h ALA 262 N 1.43 0.85 -0.44 0.00 0.00 -0.95 -2.72 119.26 117.42 2wj4 h ALA 262 Ca 0.34 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.18 2wj4 h ALA 262 Cb 0.38 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2wj4 h ALA 262 CO -0.28 0.04 -0.07 -0.39 0.00 0.00 0.00 179.25 178.54 2wj4 h VAL 263 N 0.67 1.25 -0.71 0.00 -1.51 -1.15 0.78 116.25 115.58 2wj4 h VAL 263 Ca 0.28 -1.10 -0.06 0.00 -1.23 0.00 0.00 66.70 64.59 2wj4 h VAL 263 Cb 0.15 0.99 -0.03 0.00 -2.13 0.00 0.00 31.29 30.28 2wj4 h VAL 263 CO -0.17 0.38 0.21 0.45 -1.23 0.00 0.00 177.57 177.21 2wj4 h HIS 264 N 0.70 1.16 0.03 5.19 3.86 -1.42 -0.68 115.15 123.99 2wj4 h HIS 264 Ca 0.13 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2wj4 h HIS 264 Cb 0.54 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.67 2wj4 h HIS 264 CO 0.03 0.92 -0.01 0.82 0.86 0.00 0.00 177.93 180.55 2wj4 h ILE 265 N 1.07 1.20 -0.86 2.45 2.04 -1.13 -1.72 117.51 120.56 2wj4 h ILE 265 Ca 0.23 -0.72 0.14 0.00 1.00 0.00 0.00 64.86 65.51 2wj4 h ILE 265 Cb 0.32 1.68 -0.09 0.00 -0.74 0.00 0.00 36.82 38.00 2wj4 h ILE 265 CO -0.00 0.18 0.46 0.03 0.00 0.00 0.00 178.15 178.82 2wj4 h ARG 266 N -0.35 0.65 -0.17 2.37 3.08 -0.79 0.36 114.38 119.54 2wj4 h ARG 266 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2wj4 h ARG 266 Cb 0.33 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2wj4 h ARG 266 CO 0.01 0.43 0.11 1.49 -1.07 0.00 0.00 179.97 180.93 2wj4 h GLU 267 N 0.67 0.22 -0.25 0.04 4.81 -0.81 0.54 114.58 119.80 2wj4 h GLU 267 Ca 0.46 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.55 2wj4 h GLU 267 Cb 0.62 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2wj4 h GLU 267 CO -0.34 0.17 -0.36 0.74 -0.73 0.00 0.00 179.01 178.48 2wj4 h PHE 268 N 0.22 0.66 -0.29 0.92 -1.00 -0.61 -1.72 116.94 115.11 2wj4 h PHE 268 Ca 0.06 -0.18 -0.03 0.00 2.81 0.00 0.00 57.97 60.63 2wj4 h PHE 268 Cb -0.01 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.39 2wj4 h PHE 268 CO -0.06 0.85 0.04 0.00 -1.61 0.00 0.00 178.31 177.53 2wj4 h ALA 269 N 1.14 1.53 0.24 2.45 0.00 0.11 -1.93 119.26 122.80 2wj4 h ALA 269 Ca 0.05 -0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.49 2wj4 h ALA 269 Cb 0.85 -0.13 0.04 0.00 0.00 0.00 0.00 17.79 18.54 2wj4 h ALA 269 CO 0.07 0.35 -1.42 1.15 0.00 0.00 0.00 179.25 179.40 2wj4 h THR 270 N 0.42 1.30 -0.72 0.00 2.02 -0.67 -2.33 112.91 112.94 2wj4 h THR 270 Ca 0.10 -2.66 0.11 0.00 0.77 0.00 0.00 66.41 64.73 2wj4 h THR 270 Cb 0.21 3.03 -0.08 0.00 -1.74 0.00 0.00 68.15 69.57 2wj4 h THR 270 CO 0.00 0.80 0.33 0.00 0.37 0.00 0.00 175.52 177.02 2wj4 h ALA 271 N 0.16 1.00 -0.45 6.16 0.00 -1.21 -1.33 119.26 123.59 2wj4 h ALA 271 Ca -0.24 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2wj4 h ALA 271 Cb 2.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 2wj4 h ALA 271 CO 0.27 -0.11 0.22 0.82 0.00 0.00 0.00 179.25 180.45 2wj4 h ILE 272 N 0.54 1.18 -0.26 0.00 2.04 -1.34 -3.05 117.51 116.61 2wj4 h ILE 272 Ca 0.37 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.74 2wj4 h ILE 272 Cb 0.45 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 2wj4 h ILE 272 CO -0.31 0.20 0.11 0.03 0.00 0.00 0.00 178.15 178.17 2wj4 h ARG 273 N 0.59 0.23 0.00 2.37 3.08 -0.97 -3.49 114.38 116.18 2wj4 h ARG 273 Ca 0.15 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2wj4 h ARG 273 Cb 0.11 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2wj4 h ARG 273 CO -0.02 0.15 0.00 1.04 -1.07 0.00 0.00 179.97 180.07