#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wf5 s PHE 2 N 0.00 2.31 -0.31 1.12 -0.12 -1.26 -4.96 117.98 114.76 2wf5 s PHE 2 Ca 0.00 1.47 0.06 0.00 -0.05 0.00 0.00 56.93 58.41 2wf5 s PHE 2 Cb 0.00 -3.62 -0.06 0.00 -0.63 0.00 0.00 43.02 38.70 2wf5 s PHE 2 CO 0.00 -2.55 0.28 1.63 -0.05 0.00 0.00 175.22 174.53 2wf5 n LYS 3 N -1.42 4.81 -3.76 1.99 5.02 0.19 -4.96 118.16 120.02 2wf5 n LYS 3 Ca 0.13 -0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.26 2wf5 n LYS 3 Cb 0.48 -0.80 -0.08 0.00 -0.02 0.00 0.00 35.03 34.60 2wf5 n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wf5 s ALA 4 N -1.55 -0.74 -0.10 7.82 0.00 -1.22 -1.59 121.76 124.37 2wf5 s ALA 4 Ca 0.03 0.24 0.04 0.00 0.00 0.00 0.00 51.96 52.26 2wf5 s ALA 4 Cb 0.05 0.13 -0.00 0.00 0.00 0.00 0.00 23.12 23.29 2wf5 s ALA 4 CO 0.25 -0.29 -0.23 0.08 0.00 0.00 0.00 175.76 175.57 2wf5 s VAL 5 N -1.58 2.17 -0.34 0.00 1.01 -0.22 -1.89 120.40 119.55 2wf5 s VAL 5 Ca -0.12 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 2wf5 s VAL 5 Cb -0.04 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.54 2wf5 s VAL 5 CO 0.03 0.56 0.12 -0.76 0.00 0.00 0.00 175.10 175.04 2wf5 s LEU 6 N 0.32 4.39 -0.23 3.92 1.43 0.47 -2.08 118.68 126.90 2wf5 s LEU 6 Ca -0.18 -1.16 -0.15 0.00 -1.03 0.00 0.00 54.13 51.61 2wf5 s LEU 6 Cb -0.18 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 2wf5 s LEU 6 CO 0.08 -0.34 0.39 -0.36 0.23 0.00 0.00 176.35 176.35 2wf5 s PHE 7 N 1.41 3.31 0.79 0.29 0.40 -0.01 -1.62 117.98 122.55 2wf5 s PHE 7 Ca -0.01 0.52 -0.13 0.00 -0.60 0.00 0.00 56.93 56.71 2wf5 s PHE 7 Cb -0.20 -2.55 0.07 0.00 0.51 0.00 0.00 43.02 40.86 2wf5 s PHE 7 CO 0.03 -0.11 1.15 0.34 0.70 0.00 0.00 175.22 177.33 2wf5 s ASP 8 N 1.31 3.96 -0.06 1.36 2.15 -0.77 -0.48 116.67 124.14 2wf5 s ASP 8 Ca 0.17 2.16 -0.06 0.00 0.43 0.00 0.00 52.55 55.25 2wf5 s ASP 8 Cb -0.15 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 39.88 2wf5 s ASP 8 CO 0.09 -2.41 -0.12 -0.11 -0.17 0.00 0.00 175.17 172.45 2wf5 n LEU 9 N -3.32 0.65 -4.66 -1.34 0.00 -1.26 -4.19 117.00 102.88 2wf5 n LEU 9 Ca 0.12 0.11 -0.42 0.00 0.00 0.00 0.00 56.01 55.81 2wf5 n LEU 9 Cb 0.52 -0.57 -0.03 0.00 0.00 0.00 0.00 43.42 43.34 2wf5 n LEU 9 CO 0.49 -0.43 1.33 -1.81 0.00 0.00 0.00 177.39 176.97 2wf5 s ASP 10 N -4.66 6.71 0.00 1.96 1.01 -1.26 -0.86 116.67 119.56 2wf5 s ASP 10 Ca -0.10 2.18 0.00 0.00 0.71 0.00 0.00 52.55 55.34 2wf5 s ASP 10 Cb 0.01 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.41 2wf5 s ASP 10 CO 0.14 -0.90 0.00 0.61 0.21 0.00 0.00 175.17 175.24 2wf5 n GLY 11 N 4.05 0.88 1.04 0.21 0.00 -0.11 -4.61 105.19 106.64 2wf5 n GLY 11 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2wf5 n GLY 11 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wf5 n VAL 12 N -2.00 0.67 0.06 1.61 0.31 -0.56 -4.72 118.33 113.70 2wf5 n VAL 12 Ca 0.00 0.22 -0.12 0.00 -0.01 0.00 0.00 64.34 64.44 2wf5 n VAL 12 Cb 0.00 -1.54 -0.13 0.00 -0.91 0.00 0.00 33.84 31.26 2wf5 n VAL 12 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2wf5 h ILE 13 N 0.00 1.40 -3.03 2.52 2.04 -1.16 -3.45 117.51 115.83 2wf5 h ILE 13 Ca 0.00 -3.08 0.03 0.00 1.00 0.00 0.00 64.86 62.81 2wf5 h ILE 13 Cb 0.45 2.78 -0.03 0.00 -0.74 0.00 0.00 36.82 39.28 2wf5 h ILE 13 CO 0.00 0.85 0.23 0.28 0.00 0.00 0.00 178.15 179.51 2wf5 s THR 14 N -2.66 0.00 -0.07 -0.27 -1.32 -1.23 -1.02 115.64 109.07 2wf5 s THR 14 Ca -0.03 -1.02 0.00 0.00 -1.21 0.00 0.00 61.69 59.43 2wf5 s THR 14 Cb 0.08 -2.33 0.08 0.00 -1.51 0.00 0.00 72.50 68.82 2wf5 s THR 14 CO 0.84 0.00 1.46 -0.67 -2.21 0.00 0.00 174.62 174.05 2wf5 n ASP 15 N -0.82 4.09 0.08 8.08 2.03 -1.26 -0.94 116.55 127.81 2wf5 n ASP 15 Ca -0.05 -2.36 0.13 0.00 0.52 0.00 0.00 54.79 53.03 2wf5 n ASP 15 Cb 0.59 -0.76 0.46 0.00 -0.72 0.00 0.00 41.12 40.69 2wf5 n ASP 15 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2wf5 n THR 16 N 0.63 0.44 -0.16 5.18 -2.24 -1.26 -2.73 114.28 114.13 2wf5 n THR 16 Ca 0.08 -0.20 0.08 0.00 -2.27 0.00 0.00 64.05 61.74 2wf5 n THR 16 Cb 0.60 -0.57 0.39 0.00 -2.10 0.00 0.00 70.33 68.65 2wf5 n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wf5 h ALA 17 N 2.65 1.78 -0.82 6.98 0.00 -1.82 -1.38 119.26 126.64 2wf5 h ALA 17 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wf5 h ALA 17 Cb 0.67 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2wf5 h ALA 17 CO 0.00 0.09 0.48 1.49 0.00 0.00 0.00 179.25 181.31 2wf5 h GLU 18 N 0.67 1.13 -0.19 0.00 4.57 -1.89 -1.89 114.58 116.98 2wf5 h GLU 18 Ca 0.31 -0.12 -0.22 0.00 -1.18 0.00 0.00 59.36 58.16 2wf5 h GLU 18 Cb 0.35 -0.23 0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2wf5 h GLU 18 CO -0.10 0.82 -0.72 1.88 -1.18 0.00 0.00 179.01 179.70 2wf5 h TYR 19 N 1.14 1.09 -0.59 0.92 0.99 -1.51 -1.42 116.97 117.60 2wf5 h TYR 19 Ca 0.29 -0.46 0.07 0.00 2.00 0.00 0.00 58.73 60.63 2wf5 h TYR 19 Cb -0.01 -0.18 -0.06 0.00 1.00 0.00 0.00 36.73 37.49 2wf5 h TYR 19 CO 0.00 1.29 0.28 0.45 -0.00 0.00 0.00 178.16 180.18 2wf5 h HIS 20 N 0.58 0.50 0.18 4.88 3.86 -1.18 -0.78 115.15 123.19 2wf5 h HIS 20 Ca -0.04 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2wf5 h HIS 20 Cb 1.35 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.67 2wf5 h HIS 20 CO 0.08 0.21 -0.13 0.35 0.86 0.00 0.00 177.93 179.30 2wf5 h PHE 21 N 0.51 -0.33 -0.89 2.45 3.57 -1.23 -0.36 116.94 120.66 2wf5 h PHE 21 Ca 0.27 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.80 2wf5 h PHE 21 Cb 0.24 0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 2wf5 h PHE 21 CO -0.12 -0.20 0.58 0.00 -2.23 0.00 0.00 178.31 176.34 2wf5 h ARG 22 N -0.31 1.11 -0.33 1.11 3.08 -1.05 -0.79 114.38 117.20 2wf5 h ARG 22 Ca -0.01 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 2wf5 h ARG 22 Cb 0.27 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2wf5 h ARG 22 CO 0.00 0.73 -0.09 0.00 -1.07 0.00 0.00 179.97 179.54 2wf5 h ALA 23 N 1.36 0.46 -0.63 0.04 0.00 -0.99 -2.01 119.26 117.49 2wf5 h ALA 23 Ca 0.35 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2wf5 h ALA 23 Cb -0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2wf5 h ALA 23 CO -0.11 0.31 0.08 -1.49 0.00 0.00 0.00 179.25 178.04 2wf5 h TRP 24 N 0.43 1.12 -0.62 0.00 -0.00 -0.81 -1.75 115.95 114.32 2wf5 h TRP 24 Ca 0.08 -0.16 -0.06 0.00 -0.00 0.00 0.00 58.89 58.75 2wf5 h TRP 24 Cb 0.60 -0.31 -0.03 0.00 -0.00 0.00 0.00 29.16 29.43 2wf5 h TRP 24 CO 0.05 0.96 0.15 -0.22 -0.00 0.00 0.00 178.44 179.38 2wf5 h LYS 25 N 0.98 0.99 -0.74 0.49 3.64 -1.11 -0.10 116.57 120.72 2wf5 h LYS 25 Ca 0.19 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2wf5 h LYS 25 Cb 0.46 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 2wf5 h LYS 25 CO 0.02 0.90 0.32 0.00 -2.27 0.00 0.00 179.45 178.42 2wf5 h ALA 26 N 1.05 0.96 0.06 5.00 0.00 -1.14 -1.89 119.26 123.30 2wf5 h ALA 26 Ca 0.20 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wf5 h ALA 26 Cb 0.35 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2wf5 h ALA 26 CO 0.00 0.55 -0.03 1.25 0.00 0.00 0.00 179.25 181.02 2wf5 h LEU 27 N 1.05 -0.07 -0.58 0.00 5.85 -1.12 -2.17 115.31 118.27 2wf5 h LEU 27 Ca 0.25 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2wf5 h LEU 27 Cb 0.17 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 2wf5 h LEU 27 CO -0.03 0.17 0.25 0.00 -0.34 0.00 0.00 178.44 178.49 2wf5 h ALA 28 N 0.61 0.75 -0.27 1.25 0.00 -0.88 -2.01 119.26 118.72 2wf5 h ALA 28 Ca -0.01 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2wf5 h ALA 28 Cb 0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2wf5 h ALA 28 CO 0.01 -0.14 -0.20 0.93 0.00 0.00 0.00 179.25 179.86 2wf5 h GLU 29 N 0.46 0.48 -0.71 0.00 5.08 -1.24 -1.15 114.58 117.51 2wf5 h GLU 29 Ca 0.28 -0.16 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 2wf5 h GLU 29 Cb 0.28 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 2wf5 h GLU 29 CO -0.24 0.66 0.47 0.93 -1.00 0.00 0.00 179.01 179.82 2wf5 h GLU 30 N 0.43 0.65 -0.55 2.33 5.08 -0.69 -1.93 114.58 119.90 2wf5 h GLU 30 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2wf5 h GLU 30 Cb 0.59 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2wf5 h GLU 30 CO 0.04 0.43 0.00 0.44 -1.00 0.00 0.00 179.01 178.92 2wf5 n ILE 31 N -4.49 0.73 -1.32 3.13 -5.35 -0.88 -4.95 119.36 106.24 2wf5 n ILE 31 Ca 0.11 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 2wf5 n ILE 31 Cb 0.28 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.61 2wf5 n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wf5 n GLY 32 N 1.42 0.54 3.29 3.28 0.00 -0.73 -5.05 105.19 107.95 2wf5 n GLY 32 Ca 0.19 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 2wf5 n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wf5 s ILE 33 N -2.00 3.39 -0.19 -0.61 1.01 -0.49 -4.99 121.20 117.31 2wf5 s ILE 33 Ca 0.00 -0.71 0.15 0.00 0.00 0.00 0.00 60.65 60.09 2wf5 s ILE 33 Cb 0.00 -2.65 0.42 0.00 0.01 0.00 0.00 42.46 40.23 2wf5 s ILE 33 CO 0.00 0.26 1.29 -3.20 0.00 0.00 0.00 174.94 173.29 2wf5 n ASN 34 N 4.78 2.58 0.00 3.58 5.15 -1.26 -2.98 115.26 127.11 2wf5 n ASN 34 Ca -0.17 -3.40 0.13 0.00 -0.60 0.00 0.00 54.58 50.54 2wf5 n ASN 34 Cb 0.49 -0.52 0.71 0.00 -0.53 0.00 0.00 39.78 39.92 2wf5 n ASN 34 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wf5 n GLY 35 N -1.10 -0.95 3.50 8.20 0.00 -1.26 -4.65 105.19 108.94 2wf5 n GLY 35 Ca 0.22 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2wf5 n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wf5 s VAL 36 N -2.27 4.61 0.52 1.61 1.01 -1.26 -4.69 120.40 119.93 2wf5 s VAL 36 Ca 0.32 -2.07 0.05 0.00 0.00 0.00 0.00 61.98 60.27 2wf5 s VAL 36 Cb 0.17 -4.99 0.05 0.00 0.00 0.00 0.00 36.38 31.61 2wf5 s VAL 36 CO 0.34 -1.75 0.39 -0.90 0.00 0.00 0.00 175.10 173.17 2wf5 n ASP 37 N 6.90 2.65 -0.15 3.32 5.68 -1.26 -4.80 116.55 128.89 2wf5 n ASP 37 Ca 0.38 -2.77 -0.01 0.00 -0.50 0.00 0.00 54.79 51.89 2wf5 n ASP 37 Cb 0.46 -0.04 0.24 0.00 -1.14 0.00 0.00 41.12 40.64 2wf5 n ASP 37 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2wf5 h ARG 38 N 0.00 0.86 -0.14 0.11 3.08 -1.98 0.21 114.38 116.51 2wf5 h ARG 38 Ca -0.33 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 2wf5 h ARG 38 Cb 1.19 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 2wf5 h ARG 38 CO 0.51 0.66 0.06 0.37 -1.07 0.00 0.00 179.97 180.50 2wf5 h GLN 39 N 0.86 0.21 -0.53 0.04 4.15 -1.96 -2.78 115.11 115.10 2wf5 h GLN 39 Ca 0.21 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 2wf5 h GLN 39 Cb 0.08 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 2wf5 h GLN 39 CO -0.03 0.31 0.17 0.35 -1.93 0.00 0.00 178.83 177.69 2wf5 h PHE 40 N 0.07 0.80 0.00 3.99 3.57 -1.76 -2.70 116.94 120.91 2wf5 h PHE 40 Ca 0.05 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2wf5 h PHE 40 Cb 0.17 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 2wf5 h PHE 40 CO -0.01 0.65 -0.00 -0.97 -2.23 0.00 0.00 178.31 175.75 2wf5 h ASN 41 N 0.77 0.00 -0.11 0.41 -0.73 -0.68 -0.19 115.58 115.06 2wf5 h ASN 41 Ca 0.18 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.38 2wf5 h ASN 41 Cb 0.22 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.81 2wf5 h ASN 41 CO -0.01 0.00 0.08 -0.33 -0.37 0.00 0.00 177.43 176.80 2wf5 h GLU 42 N 0.00 0.00 0.00 6.67 4.39 -1.38 -0.33 114.58 123.94 2wf5 h GLU 42 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wf5 h GLU 42 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2wf5 h GLU 42 CO 0.00 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.89 2wf5 n GLN 43 N -4.42 0.16 -0.02 2.33 6.02 -0.08 -3.67 117.38 117.70 2wf5 n GLN 43 Ca -0.00 0.20 0.04 0.00 -0.01 0.00 0.00 57.00 57.22 2wf5 n GLN 43 Cb 0.20 -1.71 -0.14 0.00 1.02 0.00 0.00 30.24 29.61 2wf5 n GLN 43 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wf5 n LEU 44 N -1.98 0.19 -4.73 1.08 4.77 -0.19 -4.84 117.00 111.29 2wf5 n LEU 44 Ca 0.05 0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.69 2wf5 n LEU 44 Cb 0.35 0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 2wf5 n LEU 44 CO 0.26 0.14 1.32 0.29 -1.33 0.00 0.00 177.39 178.08 2wf5 n LYS 45 N -2.52 2.76 -0.22 3.23 5.02 -0.84 -2.18 118.16 123.42 2wf5 n LYS 45 Ca -0.12 0.99 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 2wf5 n LYS 45 Cb 0.77 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.97 2wf5 n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wf5 n GLY 46 N 3.19 2.42 3.85 0.72 0.00 -1.26 -4.33 105.19 109.77 2wf5 n GLY 46 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2wf5 n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wf5 s VAL 47 N -3.17 4.88 1.05 1.61 1.01 -0.92 -4.56 120.40 120.30 2wf5 s VAL 47 Ca 0.00 0.74 -0.12 0.00 0.00 0.00 0.00 61.98 62.60 2wf5 s VAL 47 Cb 0.00 -3.71 0.22 0.00 0.00 0.00 0.00 36.38 32.90 2wf5 s VAL 47 CO 0.00 0.18 1.08 -0.94 0.00 0.00 0.00 175.10 175.42 2wf5 s SER 48 N -1.84 1.83 0.12 3.32 1.04 -1.26 -4.66 113.70 112.24 2wf5 s SER 48 Ca 0.39 1.81 -0.21 0.00 0.48 0.00 0.00 55.95 58.41 2wf5 s SER 48 Cb -0.14 -2.42 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 2wf5 s SER 48 CO 0.19 -3.72 1.70 -0.09 0.98 0.00 0.00 173.24 172.30 2wf5 h ARG 49 N -2.29 -0.07 -0.36 4.02 2.43 -1.97 0.98 114.38 117.12 2wf5 h ARG 49 Ca -0.54 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.48 2wf5 h ARG 49 Cb 1.30 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 2wf5 h ARG 49 CO 0.47 -0.05 -0.41 0.93 -1.51 0.00 0.00 179.97 179.40 2wf5 h GLU 50 N -0.07 0.90 -0.31 0.20 3.07 -1.99 -2.23 114.58 114.15 2wf5 h GLU 50 Ca 0.07 -0.49 -0.08 0.00 -0.50 0.00 0.00 59.36 58.37 2wf5 h GLU 50 Cb 0.18 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.10 2wf5 h GLU 50 CO -0.17 1.13 -0.13 -0.44 -1.40 0.00 0.00 179.01 178.01 2wf5 h ASP 51 N 0.72 0.52 -0.03 1.42 3.32 -1.87 -1.68 116.42 118.82 2wf5 h ASP 51 Ca 0.05 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 2wf5 h ASP 51 Cb 1.00 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 2wf5 h ASP 51 CO 0.10 0.68 0.01 0.28 -1.72 0.00 0.00 179.24 178.59 2wf5 h SER 52 N 0.49 0.04 -0.65 6.45 0.02 -0.60 -1.18 113.55 118.12 2wf5 h SER 52 Ca 0.09 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2wf5 h SER 52 Cb 0.51 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 2wf5 h SER 52 CO 0.03 0.20 0.41 0.25 -1.14 0.00 0.00 176.83 176.59 2wf5 h LEU 53 N -0.12 0.69 -0.80 5.07 5.85 -1.30 -1.99 115.31 122.71 2wf5 h LEU 53 Ca 0.01 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2wf5 h LEU 53 Cb 0.17 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2wf5 h LEU 53 CO -0.00 0.49 0.43 -0.61 -0.34 0.00 0.00 178.44 178.41 2wf5 h GLN 54 N 0.82 1.11 -0.91 1.25 5.75 -1.17 -0.67 115.11 121.30 2wf5 h GLN 54 Ca 0.26 -0.13 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 2wf5 h GLN 54 Cb -0.02 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.27 2wf5 h GLN 54 CO -0.09 0.82 0.58 0.87 -2.65 0.00 0.00 178.83 178.36 2wf5 h LYS 55 N 1.11 1.22 -0.25 1.69 1.57 -0.90 0.25 116.57 121.26 2wf5 h LYS 55 Ca 0.28 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 2wf5 h LYS 55 Cb 0.04 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 2wf5 h LYS 55 CO -0.04 0.83 -0.01 0.82 -0.57 0.00 0.00 179.45 180.48 2wf5 h ILE 56 N 1.25 1.26 -0.71 1.86 2.04 -0.80 -2.11 117.51 120.30 2wf5 h ILE 56 Ca 0.33 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 2wf5 h ILE 56 Cb -0.10 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2wf5 h ILE 56 CO -0.07 0.29 0.43 -0.07 0.00 0.00 0.00 178.15 178.74 2wf5 h LEU 57 N 0.21 0.85 -1.32 1.44 3.38 -0.90 -2.81 115.31 116.16 2wf5 h LEU 57 Ca 0.07 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2wf5 h LEU 57 Cb 0.43 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2wf5 h LEU 57 CO 0.01 0.66 -0.01 0.44 0.09 0.00 0.00 178.44 179.63 2wf5 h ASP 58 N 0.97 0.41 -0.89 -0.43 3.32 -0.85 -0.08 116.42 118.86 2wf5 h ASP 58 Ca 0.26 -0.07 0.16 0.00 0.02 0.00 0.00 57.03 57.40 2wf5 h ASP 58 Cb -0.04 -0.11 -0.10 0.00 0.22 0.00 0.00 39.33 39.31 2wf5 h ASP 58 CO -0.05 0.48 0.48 0.25 -1.72 0.00 0.00 179.24 178.68 2wf5 h LEU 59 N 0.42 0.60 -5.70 1.55 5.85 -1.10 -3.41 115.31 113.52 2wf5 h LEU 59 Ca 0.09 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.93 2wf5 h LEU 59 Cb 0.30 -0.00 -0.18 0.00 0.37 0.00 0.00 40.66 41.14 2wf5 h LEU 59 CO 0.01 0.24 -0.30 0.00 -0.34 0.00 0.00 178.44 178.04 2wf5 s ALA 60 N -5.94 -3.23 -0.58 1.25 0.00 -1.06 -4.98 121.76 107.23 2wf5 s ALA 60 Ca -0.12 0.70 0.05 0.00 0.00 0.00 0.00 51.96 52.60 2wf5 s ALA 60 Cb 0.23 -2.84 0.03 0.00 0.00 0.00 0.00 23.12 20.53 2wf5 s ALA 60 CO 0.79 -2.30 0.60 -3.47 0.00 0.00 0.00 175.76 171.37 2wf5 n ASP 61 N 4.21 1.26 -3.65 0.00 -0.08 -1.24 -4.89 116.55 112.17 2wf5 n ASP 61 Ca 0.09 -1.13 -0.11 0.00 -1.51 0.00 0.00 54.79 52.13 2wf5 n ASP 61 Cb 0.59 0.13 -0.08 0.00 2.34 0.00 0.00 41.12 44.11 2wf5 n ASP 61 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2wf5 s LYS 62 N -0.56 0.71 0.11 -0.67 2.47 -0.07 -4.59 119.74 117.14 2wf5 s LYS 62 Ca 0.05 1.02 0.09 0.00 -1.56 0.00 0.00 55.97 55.58 2wf5 s LYS 62 Cb 0.04 0.25 -0.04 0.00 -1.46 0.00 0.00 37.83 36.62 2wf5 s LYS 62 CO 0.08 -0.12 -0.24 -1.59 0.16 0.00 0.00 175.35 173.64 2wf5 s LYS 63 N 0.93 1.29 0.26 4.03 -2.85 -1.26 -4.51 119.74 117.63 2wf5 s LYS 63 Ca -0.05 -1.24 0.04 0.00 -1.00 0.00 0.00 55.97 53.73 2wf5 s LYS 63 Cb -0.05 -1.65 -0.06 0.00 -2.06 0.00 0.00 37.83 34.01 2wf5 s LYS 63 CO -0.08 0.39 0.01 0.14 0.10 0.00 0.00 175.35 175.91 2wf5 s VAL 64 N -1.08 1.16 0.77 1.79 -7.23 -1.26 -5.15 120.40 109.40 2wf5 s VAL 64 Ca 0.10 -2.04 -0.11 0.00 -1.81 0.00 0.00 61.98 58.13 2wf5 s VAL 64 Cb -0.10 -2.49 0.05 0.00 0.56 0.00 0.00 36.38 34.41 2wf5 s VAL 64 CO 0.05 -0.22 1.09 -0.94 -0.31 0.00 0.00 175.10 174.76 2wf5 s SER 65 N -3.38 4.54 0.26 4.85 1.04 -1.26 -4.83 113.70 114.93 2wf5 s SER 65 Ca 0.31 1.80 -0.03 0.00 0.48 0.00 0.00 55.95 58.51 2wf5 s SER 65 Cb 0.06 -2.51 0.37 0.00 0.10 0.00 0.00 66.02 64.04 2wf5 s SER 65 CO 0.11 -2.01 1.90 0.00 0.98 0.00 0.00 173.24 174.23 2wf5 h ALA 66 N -1.11 1.37 -0.38 5.32 0.00 -2.01 0.21 119.26 122.66 2wf5 h ALA 66 Ca -0.44 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2wf5 h ALA 66 Cb 1.23 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2wf5 h ALA 66 CO 0.52 0.52 0.17 1.49 0.00 0.00 0.00 179.25 181.95 2wf5 h GLU 67 N 1.23 0.56 -0.45 0.00 4.81 -2.00 -2.32 114.58 116.41 2wf5 h GLU 67 Ca 0.41 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.45 2wf5 h GLU 67 Cb 0.05 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2wf5 h GLU 67 CO -0.14 0.51 -0.10 1.49 -0.73 0.00 0.00 179.01 180.04 2wf5 h GLU 68 N 0.47 0.81 -0.29 1.92 4.81 -1.78 -2.20 114.58 118.32 2wf5 h GLU 68 Ca 0.13 -0.27 0.02 0.00 -0.13 0.00 0.00 59.36 59.11 2wf5 h GLU 68 Cb 0.14 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2wf5 h GLU 68 CO -0.01 0.88 0.13 0.35 -0.73 0.00 0.00 179.01 179.63 2wf5 h PHE 69 N 0.73 0.25 -0.64 0.92 3.57 -0.79 0.56 116.94 121.55 2wf5 h PHE 69 Ca 0.12 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.65 2wf5 h PHE 69 Cb 0.59 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 2wf5 h PHE 69 CO 0.03 0.13 0.42 -0.22 -2.23 0.00 0.00 178.31 176.44 2wf5 h LYS 70 N 0.29 0.83 -0.63 1.11 3.64 -1.28 -1.99 116.57 118.54 2wf5 h LYS 70 Ca 0.12 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 2wf5 h LYS 70 Cb 0.05 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 2wf5 h LYS 70 CO -0.09 0.55 0.06 1.49 -2.27 0.00 0.00 179.45 179.19 2wf5 h GLU 71 N 0.85 1.07 -0.29 1.90 4.57 -0.84 -2.13 114.58 119.71 2wf5 h GLU 71 Ca 0.24 -0.30 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 2wf5 h GLU 71 Cb -0.08 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 2wf5 h GLU 71 CO -0.06 1.00 -0.05 -0.07 -1.18 0.00 0.00 179.01 178.65 2wf5 h LEU 72 N 0.99 0.55 -0.82 1.64 3.38 -0.62 0.25 115.31 120.68 2wf5 h LEU 72 Ca 0.19 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2wf5 h LEU 72 Cb 0.48 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2wf5 h LEU 72 CO 0.02 0.77 0.49 0.00 0.09 0.00 0.00 178.44 179.81 2wf5 h ALA 73 N 0.79 1.04 -0.58 1.53 0.00 -1.33 -1.70 119.26 119.02 2wf5 h ALA 73 Ca 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2wf5 h ALA 73 Cb 0.52 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2wf5 h ALA 73 CO 0.03 0.51 0.19 -0.22 0.00 0.00 0.00 179.25 179.75 2wf5 h LYS 74 N 1.12 0.90 -0.44 0.00 3.64 -1.24 -1.91 116.57 118.64 2wf5 h LYS 74 Ca 0.29 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2wf5 h LYS 74 Cb -0.04 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2wf5 h LYS 74 CO -0.05 0.80 0.26 -0.09 -2.27 0.00 0.00 179.45 178.10 2wf5 h ARG 75 N 0.82 0.60 -0.57 1.90 2.43 -0.59 0.70 114.38 119.67 2wf5 h ARG 75 Ca 0.19 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2wf5 h ARG 75 Cb 0.27 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 2wf5 h ARG 75 CO -0.01 0.45 0.26 -0.22 -1.51 0.00 0.00 179.97 178.94 2wf5 h LYS 76 N 0.58 0.83 -0.54 0.20 3.11 -1.25 -2.36 116.57 117.14 2wf5 h LYS 76 Ca 0.16 -0.13 -0.12 0.00 -2.81 0.00 0.00 60.65 57.75 2wf5 h LYS 76 Cb 0.01 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.08 2wf5 h LYS 76 CO -0.03 0.69 -0.12 -0.97 -2.81 0.00 0.00 179.45 176.22 2wf5 h ASN 77 N 0.77 1.04 -0.79 4.20 -1.24 -0.86 -0.64 115.58 118.06 2wf5 h ASN 77 Ca 0.19 -0.35 0.01 0.00 0.71 0.00 0.00 56.30 56.86 2wf5 h ASN 77 Cb 0.15 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 38.88 2wf5 h ASN 77 CO -0.02 1.15 0.53 0.44 -1.29 0.00 0.00 177.43 178.23 2wf5 h ASP 78 N 0.92 0.91 -0.08 1.15 3.32 -0.74 0.65 116.42 122.55 2wf5 h ASP 78 Ca 0.14 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2wf5 h ASP 78 Cb 0.69 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 2wf5 h ASP 78 CO 0.05 0.66 0.02 -1.13 -1.72 0.00 0.00 179.24 177.12 2wf5 h ASN 79 N 1.07 0.12 -0.50 6.45 -1.24 -1.18 -2.21 115.58 118.09 2wf5 h ASN 79 Ca 0.29 -0.24 0.04 0.00 0.71 0.00 0.00 56.30 57.10 2wf5 h ASN 79 Cb -0.12 -0.03 -0.04 0.00 0.73 0.00 0.00 38.32 38.85 2wf5 h ASN 79 CO -0.06 0.33 0.26 0.22 -1.29 0.00 0.00 177.43 176.89 2wf5 h TYR 80 N -0.10 0.48 -0.57 0.67 3.20 -0.85 -0.83 116.97 118.96 2wf5 h TYR 80 Ca 0.02 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 2wf5 h TYR 80 Cb 0.26 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 2wf5 h TYR 80 CO 0.01 0.24 0.18 0.28 -1.64 0.00 0.00 178.16 177.23 2wf5 h VAL 81 N 0.51 1.22 -0.31 1.81 2.07 -0.86 -1.86 116.25 118.82 2wf5 h VAL 81 Ca 0.22 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 2wf5 h VAL 81 Cb 0.12 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2wf5 h VAL 81 CO -0.15 0.29 0.12 0.11 0.02 0.00 0.00 177.57 177.96 2wf5 h LYS 82 N 0.83 0.47 -1.00 1.57 1.57 -0.92 -3.12 116.57 115.97 2wf5 h LYS 82 Ca 0.19 -0.09 0.12 0.00 -1.87 0.00 0.00 60.65 59.00 2wf5 h LYS 82 Cb 0.24 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.39 2wf5 h LYS 82 CO -0.01 0.48 0.62 0.52 -0.57 0.00 0.00 179.45 180.49 2wf5 h MET 83 N 0.35 0.96 -0.07 3.15 2.86 -0.40 -2.80 114.93 118.98 2wf5 h MET 83 Ca 0.10 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2wf5 h MET 83 Cb 0.19 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.63 2wf5 h MET 83 CO -0.01 0.63 0.00 0.44 1.06 0.00 0.00 176.91 179.04 2wf5 n ILE 84 N -4.63 0.09 0.01 -1.22 -5.35 -0.80 -4.33 119.36 103.13 2wf5 n ILE 84 Ca 0.19 -0.23 0.04 0.00 -0.27 0.00 0.00 62.75 62.47 2wf5 n ILE 84 Cb 0.35 0.24 0.42 0.00 -1.74 0.00 0.00 39.64 38.91 2wf5 n ILE 84 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2wf5 h GLN 85 N 1.74 0.52 -0.27 6.28 1.08 -1.50 -2.27 115.11 120.69 2wf5 h GLN 85 Ca 0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2wf5 h GLN 85 Cb 0.38 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 2wf5 h GLN 85 CO 0.00 0.37 0.00 -0.25 -0.95 0.00 0.00 178.83 178.00 2wf5 n ASP 86 N -4.46 2.18 -4.71 1.46 10.43 -1.26 -4.91 116.55 115.28 2wf5 n ASP 86 Ca 0.03 -1.84 -0.42 0.00 2.57 0.00 0.00 54.79 55.13 2wf5 n ASP 86 Cb 0.08 -0.18 -0.01 0.00 1.84 0.00 0.00 41.12 42.85 2wf5 n ASP 86 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 2wf5 n VAL 87 N 0.66 1.94 -4.19 2.53 0.31 -0.86 -5.00 118.33 113.74 2wf5 n VAL 87 Ca 0.16 -0.49 -0.17 0.00 -0.01 0.00 0.00 64.34 63.84 2wf5 n VAL 87 Cb 0.39 -1.62 -0.06 0.00 -0.91 0.00 0.00 33.84 31.64 2wf5 n VAL 87 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2wf5 s SER 88 N -0.25 1.26 0.59 4.52 1.04 -1.26 -4.68 113.70 114.91 2wf5 s SER 88 Ca 0.56 -1.61 0.29 0.00 0.48 0.00 0.00 55.95 55.66 2wf5 s SER 88 Cb -0.56 0.60 1.66 0.00 0.10 0.00 0.00 66.02 67.82 2wf5 s SER 88 CO 0.62 -1.17 2.10 -0.65 0.98 0.00 0.00 173.24 175.12 2wf5 h PRO 89 N 2.14 0.00 0.00 4.02 0.11 -1.74 -0.96 132.00 135.57 2wf5 h PRO 89 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2wf5 h PRO 89 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2wf5 h PRO 89 CO 0.38 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.17 2wf5 h ALA 90 N 1.76 1.00 -0.01 -0.75 0.00 -1.93 -2.73 119.26 116.59 2wf5 h ALA 90 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wf5 h ALA 90 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wf5 h ALA 90 CO -0.00 0.00 -0.27 -0.25 0.00 0.00 0.00 179.25 178.73 2wf5 n ASP 91 N -2.57 1.23 -4.74 0.00 10.43 -0.36 -4.92 116.55 115.62 2wf5 n ASP 91 Ca 0.00 -1.04 -0.42 0.00 2.57 0.00 0.00 54.79 55.91 2wf5 n ASP 91 Cb 0.20 0.17 -0.02 0.00 1.84 0.00 0.00 41.12 43.31 2wf5 n ASP 91 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2wf5 s VAL 92 N -2.45 2.16 0.67 2.53 1.01 -1.03 -4.47 120.40 118.82 2wf5 s VAL 92 Ca 0.25 0.13 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 2wf5 s VAL 92 Cb 0.19 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 33.50 2wf5 s VAL 92 CO 0.51 0.02 1.17 -0.31 0.00 0.00 0.00 175.10 176.49 2wf5 s TYR 93 N 0.21 2.32 0.26 5.22 4.12 -0.19 -4.93 117.35 124.36 2wf5 s TYR 93 Ca 0.65 1.57 -0.30 0.00 0.02 0.00 0.00 57.07 59.00 2wf5 s TYR 93 Cb -0.47 -3.38 -0.14 0.00 -1.52 0.00 0.00 41.96 36.46 2wf5 s TYR 93 CO 0.44 -2.21 1.26 -2.30 0.02 0.00 0.00 175.55 172.77 2wf5 n PRO 94 N -2.32 1.77 0.00 -1.71 -0.02 -1.26 -2.55 135.00 128.91 2wf5 n PRO 94 Ca 0.12 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2wf5 n PRO 94 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2wf5 n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wf5 n GLY 95 N 1.62 2.95 0.15 -1.23 0.00 -1.26 -3.10 105.19 104.32 2wf5 n GLY 95 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 2wf5 n GLY 95 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wf5 h ILE 96 N 0.00 1.31 -0.49 -0.61 1.08 -1.75 -1.24 117.51 115.80 2wf5 h ILE 96 Ca 0.00 -1.15 -0.01 0.00 -0.39 0.00 0.00 64.86 63.31 2wf5 h ILE 96 Cb 0.00 1.65 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 2wf5 h ILE 96 CO 0.00 0.35 0.27 0.25 -0.69 0.00 0.00 178.15 178.33 2wf5 h LEU 97 N 0.11 0.61 -0.72 1.44 5.85 -1.90 -1.60 115.31 119.10 2wf5 h LEU 97 Ca 0.04 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 2wf5 h LEU 97 Cb 0.58 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2wf5 h LEU 97 CO 0.03 0.53 0.11 -0.61 -0.34 0.00 0.00 178.44 178.15 2wf5 h GLN 98 N 0.65 1.09 -0.36 1.25 5.75 -1.94 -2.08 115.11 119.47 2wf5 h GLN 98 Ca 0.17 -0.29 0.02 0.00 -0.15 0.00 0.00 58.65 58.40 2wf5 h GLN 98 Cb 0.05 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 2wf5 h GLN 98 CO -0.03 0.99 0.21 1.25 -2.65 0.00 0.00 178.83 178.60 2wf5 h LEU 99 N 1.02 0.33 -0.39 -2.39 5.85 -0.91 0.17 115.31 118.99 2wf5 h LEU 99 Ca 0.20 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.95 2wf5 h LEU 99 Cb 0.44 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2wf5 h LEU 99 CO 0.01 0.24 0.20 -0.07 -0.34 0.00 0.00 178.44 178.49 2wf5 h LEU 100 N 0.42 0.31 -0.48 2.25 3.38 -1.04 0.64 115.31 120.78 2wf5 h LEU 100 Ca 0.14 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.15 2wf5 h LEU 100 Cb 0.01 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2wf5 h LEU 100 CO -0.07 0.22 0.29 0.11 0.09 0.00 0.00 178.44 179.08 2wf5 h LYS 101 N 0.41 0.56 -0.36 1.13 1.57 -1.20 -2.13 116.57 116.55 2wf5 h LYS 101 Ca 0.16 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 2wf5 h LYS 101 Cb 0.05 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2wf5 h LYS 101 CO -0.10 0.37 -0.31 -0.44 -0.57 0.00 0.00 179.45 178.39 2wf5 h ASP 102 N 0.57 0.81 -0.28 0.86 3.45 -0.52 -1.71 116.42 119.60 2wf5 h ASP 102 Ca 0.19 -0.33 -0.00 0.00 0.43 0.00 0.00 57.03 57.32 2wf5 h ASP 102 Cb 0.02 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 2wf5 h ASP 102 CO -0.09 1.06 0.17 -0.07 -1.57 0.00 0.00 179.24 178.74 2wf5 h LEU 103 N 0.66 0.34 -1.02 1.55 3.38 -0.76 -2.47 115.31 116.99 2wf5 h LEU 103 Ca 0.07 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2wf5 h LEU 103 Cb 0.85 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 2wf5 h LEU 103 CO 0.07 0.30 0.37 0.03 0.09 0.00 0.00 178.44 179.31 2wf5 h ARG 104 N 0.35 1.06 0.00 1.13 3.08 -1.22 -1.60 114.38 117.19 2wf5 h ARG 104 Ca 0.10 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2wf5 h ARG 104 Cb 0.02 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.87 2wf5 h ARG 104 CO -0.02 0.81 -0.14 0.77 -1.07 0.00 0.00 179.97 180.32 2wf5 h SER 105 N 1.06 0.00 -0.68 7.04 0.02 -1.09 -2.07 113.55 117.83 2wf5 h SER 105 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2wf5 h SER 105 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2wf5 h SER 105 CO -0.04 0.14 0.00 0.59 -1.14 0.00 0.00 176.83 176.38 2wf5 n ASN 106 N -4.06 4.43 -2.96 3.07 3.02 -0.80 -4.96 115.26 112.99 2wf5 n ASN 106 Ca -0.02 -2.27 -0.22 0.00 -0.03 0.00 0.00 54.58 52.04 2wf5 n ASN 106 Cb 0.22 -0.54 0.02 0.00 -0.61 0.00 0.00 39.78 38.87 2wf5 n ASN 106 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wf5 n LYS 107 N 1.31 -4.21 -3.45 3.52 5.02 -0.78 -4.99 118.16 114.58 2wf5 n LYS 107 Ca 0.25 0.86 -0.37 0.00 -2.02 0.00 0.00 58.31 57.03 2wf5 n LYS 107 Cb 0.78 -5.67 -0.07 0.00 -0.02 0.00 0.00 35.03 30.05 2wf5 n LYS 107 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wf5 s ILE 108 N -3.11 5.25 0.51 -0.18 1.01 -0.67 -5.00 121.20 119.02 2wf5 s ILE 108 Ca 0.27 0.65 -0.21 0.00 0.00 0.00 0.00 60.65 61.35 2wf5 s ILE 108 Cb -0.12 -3.69 -0.06 0.00 0.01 0.00 0.00 42.46 38.60 2wf5 s ILE 108 CO 0.33 0.33 1.20 -0.54 0.00 0.00 0.00 174.94 176.26 2wf5 s LYS 109 N 0.82 3.43 -0.13 2.79 -0.14 -0.62 -4.30 119.74 121.58 2wf5 s LYS 109 Ca 0.18 1.85 0.01 0.00 -1.36 0.00 0.00 55.97 56.65 2wf5 s LYS 109 Cb -0.14 -2.22 0.02 0.00 -1.68 0.00 0.00 37.83 33.81 2wf5 s LYS 109 CO 0.06 -0.85 -0.14 0.42 -0.76 0.00 0.00 175.35 174.09 2wf5 s ILE 110 N -1.54 1.48 0.02 2.17 1.01 -1.26 -1.06 121.20 122.02 2wf5 s ILE 110 Ca 0.69 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.78 2wf5 s ILE 110 Cb -0.30 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 2wf5 s ILE 110 CO 0.36 0.44 -0.11 0.00 0.00 0.00 0.00 174.94 175.63 2wf5 s ALA 111 N 1.36 0.88 -0.14 9.38 0.00 -0.88 -0.49 121.76 131.87 2wf5 s ALA 111 Ca 0.01 -0.61 -0.19 0.00 0.00 0.00 0.00 51.96 51.17 2wf5 s ALA 111 Cb -0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2wf5 s ALA 111 CO -0.08 0.16 0.54 -1.17 0.00 0.00 0.00 175.76 175.22 2wf5 s LEU 112 N -0.78 4.24 -0.52 0.00 2.96 -0.47 -0.83 118.68 123.28 2wf5 s LEU 112 Ca 0.01 0.85 0.07 0.00 -0.22 0.00 0.00 54.13 54.84 2wf5 s LEU 112 Cb -0.06 -2.79 0.35 0.00 0.50 0.00 0.00 46.19 44.19 2wf5 s LEU 112 CO 0.00 -0.09 0.90 0.00 -1.32 0.00 0.00 176.35 175.84 2wf5 n ALA 113 N 4.09 4.00 -2.62 5.97 0.00 0.37 -1.59 120.51 130.73 2wf5 n ALA 113 Ca -0.05 -4.34 -0.37 0.00 0.00 0.00 0.00 53.44 48.68 2wf5 n ALA 113 Cb 0.51 -0.78 -0.06 0.00 0.00 0.00 0.00 19.45 19.12 2wf5 n ALA 113 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wf5 s SER 114 N -3.21 6.67 0.00 0.00 0.15 -1.26 -4.29 113.70 111.76 2wf5 s SER 114 Ca 0.46 0.80 0.21 0.00 0.70 0.00 0.00 55.95 58.12 2wf5 s SER 114 Cb 0.30 -2.19 1.02 0.00 -1.71 0.00 0.00 66.02 63.45 2wf5 s SER 114 CO -0.12 0.33 1.68 0.00 1.20 0.00 0.00 173.24 176.33 2wf5 n ALA 115 N 1.72 2.06 -2.70 5.45 0.00 -1.26 -4.45 120.51 121.34 2wf5 n ALA 115 Ca -0.15 -0.09 -0.39 0.00 0.00 0.00 0.00 53.44 52.81 2wf5 n ALA 115 Cb 0.53 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 2wf5 n ALA 115 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wf5 s SER 116 N -2.71 6.78 0.26 0.00 0.15 -1.26 -4.83 113.70 112.09 2wf5 s SER 116 Ca 0.17 0.94 0.23 0.00 0.70 0.00 0.00 55.95 57.99 2wf5 s SER 116 Cb 0.14 -2.35 1.00 0.00 -1.71 0.00 0.00 66.02 63.10 2wf5 s SER 116 CO 0.34 -0.15 1.69 0.29 1.20 0.00 0.00 173.24 176.62 2wf5 n LYS 117 N 4.26 0.18 -0.09 5.44 5.02 -1.26 -1.94 118.16 129.77 2wf5 n LYS 117 Ca -0.03 0.46 0.10 0.00 -2.02 0.00 0.00 58.31 56.82 2wf5 n LYS 117 Cb 0.51 -1.88 0.35 0.00 -0.02 0.00 0.00 35.03 33.99 2wf5 n LYS 117 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wf5 n ASN 118 N -2.22 1.72 0.06 4.39 3.02 -1.26 -4.50 115.26 116.47 2wf5 n ASN 118 Ca 0.01 -1.74 -0.12 0.00 -0.03 0.00 0.00 54.58 52.71 2wf5 n ASN 118 Cb 0.19 -0.12 -0.07 0.00 -0.61 0.00 0.00 39.78 39.18 2wf5 n ASN 118 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2wf5 h GLY 119 N 5.02 -0.07 0.84 7.41 0.00 -1.80 -2.31 103.07 112.16 2wf5 h GLY 119 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.41 2wf5 h GLY 119 CO 0.00 -0.05 0.50 -2.55 0.00 0.00 0.00 176.54 174.45 2wf5 h PRO 120 N -0.09 0.94 -0.63 4.80 0.11 -1.83 -1.31 132.00 133.98 2wf5 h PRO 120 Ca 0.01 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 66.12 2wf5 h PRO 120 Cb 0.09 -0.21 -0.06 0.00 0.11 0.00 0.00 31.00 30.93 2wf5 h PRO 120 CO -0.02 0.62 0.33 0.35 -0.21 0.00 0.00 178.00 179.07 2wf5 h PHE 121 N 0.97 0.60 -0.52 0.65 3.57 -1.83 -2.14 116.94 118.23 2wf5 h PHE 121 Ca 0.33 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.73 2wf5 h PHE 121 Cb 0.05 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2wf5 h PHE 121 CO -0.03 0.27 -0.15 -0.07 -2.23 0.00 0.00 178.31 176.09 2wf5 h LEU 122 N 0.60 1.03 -1.11 0.59 3.38 -0.79 -1.12 115.31 117.89 2wf5 h LEU 122 Ca 0.29 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2wf5 h LEU 122 Cb 0.22 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2wf5 h LEU 122 CO -0.20 1.17 0.34 -0.07 0.09 0.00 0.00 178.44 179.76 2wf5 h LEU 123 N 0.89 0.87 -0.41 1.67 3.38 -1.09 -1.74 115.31 118.87 2wf5 h LEU 123 Ca 0.13 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2wf5 h LEU 123 Cb 0.73 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2wf5 h LEU 123 CO 0.06 0.72 -0.02 -0.33 0.09 0.00 0.00 178.44 178.96 2wf5 h GLU 124 N 0.96 0.74 -0.73 1.13 4.39 -1.01 -0.29 114.58 119.77 2wf5 h GLU 124 Ca 0.24 -0.25 0.07 0.00 0.34 0.00 0.00 59.36 59.76 2wf5 h GLU 124 Cb 0.08 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 2wf5 h GLU 124 CO -0.03 0.83 0.48 0.00 -1.16 0.00 0.00 179.01 179.13 2wf5 h ARG 125 N 0.57 0.70 -0.16 2.33 2.47 -0.74 -2.07 114.38 117.49 2wf5 h ARG 125 Ca 0.11 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2wf5 h ARG 125 Cb 0.51 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 2wf5 h ARG 125 CO 0.03 0.47 0.00 -1.33 0.56 0.00 0.00 179.97 179.69 2wf5 n MET 126 N -4.48 1.88 -3.74 0.04 2.81 -0.70 -3.55 117.12 109.38 2wf5 n MET 126 Ca 0.11 -1.31 -0.24 0.00 -1.81 0.00 0.00 57.70 54.46 2wf5 n MET 126 Cb 0.25 -1.43 0.04 0.00 -0.71 0.00 0.00 33.22 31.37 2wf5 n MET 126 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2wf5 n ASN 127 N 0.54 -2.49 -0.01 7.83 4.13 -0.78 -4.29 115.26 120.20 2wf5 n ASN 127 Ca 0.17 -0.78 0.03 0.00 1.68 0.00 0.00 54.58 55.68 2wf5 n ASN 127 Cb 0.40 -4.13 -0.03 0.00 -1.54 0.00 0.00 39.78 34.47 2wf5 n ASN 127 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2wf5 n LEU 128 N -4.42 0.30 -0.35 3.41 4.77 -0.16 -4.78 117.00 115.78 2wf5 n LEU 128 Ca -0.19 -0.51 0.08 0.00 -0.03 0.00 0.00 56.01 55.35 2wf5 n LEU 128 Cb 0.63 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.96 2wf5 n LEU 128 CO 0.70 0.07 1.20 0.74 -1.33 0.00 0.00 177.39 178.77 2wf5 h THR 129 N 0.03 0.87 0.00 -5.08 2.02 -1.91 -1.33 112.91 107.51 2wf5 h THR 129 Ca 0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 2wf5 h THR 129 Cb 0.14 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 2wf5 h THR 129 CO 0.00 0.16 0.00 0.61 0.37 0.00 0.00 175.52 176.66 2wf5 n GLY 130 N -1.34 -0.94 0.10 2.16 0.00 -1.26 -1.67 105.19 102.24 2wf5 n GLY 130 Ca 0.19 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.28 2wf5 n GLY 130 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2wf5 h TYR 131 N 0.00 0.00 -3.45 1.61 -1.99 -1.59 -3.46 116.97 108.09 2wf5 h TYR 131 Ca 0.00 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.13 2wf5 h TYR 131 Cb 0.22 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 38.84 2wf5 h TYR 131 CO 0.00 0.00 -0.27 -0.06 -0.00 0.00 0.00 178.16 177.83 2wf5 s PHE 132 N -3.15 3.39 -0.17 4.88 0.40 -0.67 -4.73 117.98 117.93 2wf5 s PHE 132 Ca 0.08 0.56 0.16 0.00 -0.60 0.00 0.00 56.93 57.13 2wf5 s PHE 132 Cb 0.12 -2.45 0.10 0.00 0.51 0.00 0.00 43.02 41.30 2wf5 s PHE 132 CO 0.66 0.06 1.46 -0.44 0.70 0.00 0.00 175.22 177.67 2wf5 h ASP 133 N 7.21 0.00 -5.01 1.36 3.45 -1.10 -3.47 116.42 118.86 2wf5 h ASP 133 Ca -0.38 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.04 2wf5 h ASP 133 Cb 1.16 0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 39.78 2wf5 h ASP 133 CO 0.72 0.46 0.14 0.00 -1.57 0.00 0.00 179.24 179.00 2wf5 s ALA 134 N -2.99 -1.56 -0.17 3.45 0.00 -1.11 -4.94 121.76 114.44 2wf5 s ALA 134 Ca 0.04 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.80 2wf5 s ALA 134 Cb 0.07 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.65 2wf5 s ALA 134 CO 0.74 -0.55 -0.16 0.42 0.00 0.00 0.00 175.76 176.21 2wf5 s ILE 135 N -2.49 1.76 -0.25 0.00 1.01 -1.26 -1.37 121.20 118.60 2wf5 s ILE 135 Ca -0.05 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.50 2wf5 s ILE 135 Cb -0.01 -1.65 0.01 0.00 0.01 0.00 0.00 42.46 40.82 2wf5 s ILE 135 CO -0.02 0.44 1.14 0.00 0.00 0.00 0.00 174.94 176.50 2wf5 s ALA 136 N 1.40 3.59 -0.24 9.38 0.00 -0.62 -4.95 121.76 130.32 2wf5 s ALA 136 Ca 0.04 0.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.88 2wf5 s ALA 136 Cb -0.13 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.35 2wf5 s ALA 136 CO -0.11 -1.29 1.31 0.34 0.00 0.00 0.00 175.76 176.00 2wf5 s ASP 137 N 1.72 6.77 0.30 0.00 -1.08 -1.26 -4.65 116.67 118.47 2wf5 s ASP 137 Ca 0.49 1.45 0.24 0.00 -0.52 0.00 0.00 52.55 54.21 2wf5 s ASP 137 Cb -0.16 -2.54 1.08 0.00 -1.46 0.00 0.00 42.92 39.84 2wf5 s ASP 137 CO 0.13 -0.95 1.74 1.55 0.52 0.00 0.00 175.17 178.15 2wf5 h PRO 138 N 8.91 0.00 0.00 4.34 0.13 -1.88 -1.68 132.00 141.81 2wf5 h PRO 138 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2wf5 h PRO 138 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2wf5 h PRO 138 CO 1.00 0.00 -0.04 0.00 -0.23 0.00 0.00 178.00 178.73 2wf5 n ALA 139 N -1.81 2.40 0.04 -0.56 0.00 -1.26 -3.87 120.51 115.45 2wf5 n ALA 139 Ca 0.01 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.38 2wf5 n ALA 139 Cb 0.19 -1.44 -0.08 0.00 0.00 0.00 0.00 19.45 18.12 2wf5 n ALA 139 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wf5 n GLU 140 N -1.72 0.62 -2.43 0.00 -0.58 -0.63 -4.94 120.64 110.96 2wf5 n GLU 140 Ca 0.06 0.15 -0.35 0.00 -0.42 0.00 0.00 57.16 56.61 2wf5 n GLU 140 Cb 0.37 -1.77 -0.02 0.00 -0.57 0.00 0.00 31.44 29.45 2wf5 n GLU 140 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2wf5 s VAL 141 N -3.05 3.53 -0.54 2.62 -7.23 -1.25 -4.97 120.40 109.52 2wf5 s VAL 141 Ca -0.03 0.98 0.24 0.00 -1.81 0.00 0.00 61.98 61.35 2wf5 s VAL 141 Cb 0.09 -3.41 0.21 0.00 0.56 0.00 0.00 36.38 33.84 2wf5 s VAL 141 CO 0.82 -0.18 1.52 0.00 -0.31 0.00 0.00 175.10 176.95 2wf5 h ALA 142 N 1.52 0.84 -3.19 1.32 0.00 -1.92 -3.45 119.26 114.39 2wf5 h ALA 142 Ca -0.50 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.19 2wf5 h ALA 142 Cb 1.24 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.72 2wf5 h ALA 142 CO 0.59 0.00 -0.56 0.00 0.00 0.00 0.00 179.25 179.28 2wf5 s ALA 143 N -3.19 -0.36 0.58 0.00 0.00 -1.26 -5.17 121.76 112.36 2wf5 s ALA 143 Ca 0.07 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 2wf5 s ALA 143 Cb 0.10 -0.50 0.04 0.00 0.00 0.00 0.00 23.12 22.75 2wf5 s ALA 143 CO 0.67 -0.17 0.83 -1.54 0.00 0.00 0.00 175.76 175.56 2wf5 s SER 144 N 1.14 5.17 0.27 0.00 1.04 -1.26 -4.39 113.70 115.67 2wf5 s SER 144 Ca -0.09 0.09 -0.30 0.00 0.48 0.00 0.00 55.95 56.14 2wf5 s SER 144 Cb -0.11 -0.93 -0.14 0.00 0.10 0.00 0.00 66.02 64.95 2wf5 s SER 144 CO -0.06 -1.24 1.25 0.29 0.98 0.00 0.00 173.24 174.45 2wf5 n LYS 145 N -2.47 1.79 -0.02 4.02 5.02 -1.26 -1.13 118.16 124.10 2wf5 n LYS 145 Ca 0.08 0.63 0.09 0.00 -2.02 0.00 0.00 58.31 57.09 2wf5 n LYS 145 Cb 0.60 -2.18 0.45 0.00 -0.02 0.00 0.00 35.03 33.88 2wf5 n LYS 145 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2wf5 n PRO 146 N 1.30 1.20 -1.83 1.97 -0.04 -1.26 -4.63 135.00 131.71 2wf5 n PRO 146 Ca 0.10 -0.30 -0.37 0.00 -0.04 0.00 0.00 63.50 62.88 2wf5 n PRO 146 Cb 0.32 -1.29 0.05 0.00 -0.04 0.00 0.00 33.50 32.54 2wf5 n PRO 146 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wf5 s ALA 147 N -1.94 2.59 -1.31 0.55 0.00 -0.28 -2.95 121.76 118.43 2wf5 s ALA 147 Ca 0.26 1.21 0.29 0.00 0.00 0.00 0.00 51.96 53.73 2wf5 s ALA 147 Cb 0.13 -3.53 1.40 0.00 0.00 0.00 0.00 23.12 21.11 2wf5 s ALA 147 CO 0.21 -1.40 1.98 -0.35 0.00 0.00 0.00 175.76 176.20 2wf5 n PRO 148 N -1.47 0.30 -0.24 0.00 -0.04 -1.26 -4.43 135.00 127.85 2wf5 n PRO 148 Ca 0.13 0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.65 2wf5 n PRO 148 Cb 0.47 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.59 2wf5 n PRO 148 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2wf5 h ASP 149 N 0.00 -0.19 -0.31 3.54 5.19 -1.89 -1.23 116.42 121.53 2wf5 h ASP 149 Ca 0.00 0.17 -0.07 0.00 -0.62 0.00 0.00 57.03 56.51 2wf5 h ASP 149 Cb 0.33 0.27 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 2wf5 h ASP 149 CO 0.00 -0.11 -0.03 -0.29 -3.12 0.00 0.00 179.24 175.69 2wf5 h ILE 150 N 0.17 1.23 -0.25 0.35 6.09 -1.78 0.46 117.51 123.77 2wf5 h ILE 150 Ca 0.39 -0.96 -0.20 0.00 -1.37 0.00 0.00 64.86 62.73 2wf5 h ILE 150 Cb 0.68 0.95 0.00 0.00 0.47 0.00 0.00 36.82 38.92 2wf5 h ILE 150 CO -0.57 0.33 -0.61 -0.26 -3.07 0.00 0.00 178.15 173.97 2wf5 h PHE 151 N 0.63 1.08 -0.57 2.19 -1.00 -1.58 -1.41 116.94 116.29 2wf5 h PHE 151 Ca 0.12 -0.41 -0.01 0.00 2.81 0.00 0.00 57.97 60.49 2wf5 h PHE 151 Cb 0.43 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.77 2wf5 h PHE 151 CO 0.02 1.24 0.33 0.82 -1.61 0.00 0.00 178.31 179.10 2wf5 h ILE 152 N 0.63 1.18 -0.66 -0.55 2.04 -1.13 -1.99 117.51 117.04 2wf5 h ILE 152 Ca -0.00 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 2wf5 h ILE 152 Cb 1.22 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2wf5 h ILE 152 CO 0.13 0.19 0.21 0.00 0.00 0.00 0.00 178.15 178.68 2wf5 h ALA 153 N 1.15 0.86 -0.37 1.87 0.00 -0.83 -1.40 119.26 120.55 2wf5 h ALA 153 Ca 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2wf5 h ALA 153 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2wf5 h ALA 153 CO -0.04 0.53 0.18 0.00 0.00 0.00 0.00 179.25 179.93 2wf5 h ALA 154 N 1.08 0.47 -0.25 0.00 0.00 -1.07 -0.38 119.26 119.12 2wf5 h ALA 154 Ca 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wf5 h ALA 154 Cb 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2wf5 h ALA 154 CO -0.01 0.02 0.14 0.00 0.00 0.00 0.00 179.25 179.41 2wf5 h ALA 155 N 1.04 0.31 -0.21 0.00 0.00 -1.23 -2.89 119.26 116.29 2wf5 h ALA 155 Ca 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2wf5 h ALA 155 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2wf5 h ALA 155 CO -0.02 -0.17 -0.11 0.45 0.00 0.00 0.00 179.25 179.40 2wf5 h HIS 156 N 0.30 0.35 0.00 0.00 3.86 -1.12 -1.72 115.15 116.82 2wf5 h HIS 156 Ca 0.09 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.23 2wf5 h HIS 156 Cb 0.03 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 2wf5 h HIS 156 CO -0.04 0.44 -0.11 0.00 0.86 0.00 0.00 177.93 179.08 2wf5 h ALA 157 N 1.58 1.24 -0.50 2.45 0.00 -0.85 -2.05 119.26 121.12 2wf5 h ALA 157 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wf5 h ALA 157 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2wf5 h ALA 157 CO 0.02 0.14 0.00 1.33 0.00 0.00 0.00 179.25 180.74 2wf5 n VAL 158 N -3.57 1.36 -2.13 0.00 0.24 -0.85 -4.88 118.33 108.50 2wf5 n VAL 158 Ca -0.02 -1.16 -0.06 0.00 -2.04 0.00 0.00 64.34 61.06 2wf5 n VAL 158 Cb 0.24 0.32 -0.00 0.00 -1.47 0.00 0.00 33.84 32.93 2wf5 n VAL 158 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wf5 n GLY 159 N 0.80 0.11 3.21 7.63 0.00 -0.77 -5.01 105.19 111.15 2wf5 n GLY 159 Ca 0.19 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 2wf5 n GLY 159 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wf5 s VAL 160 N -2.32 1.41 0.34 1.61 1.01 -0.71 -5.02 120.40 116.72 2wf5 s VAL 160 Ca 0.00 -1.17 -0.26 0.00 0.00 0.00 0.00 61.98 60.55 2wf5 s VAL 160 Cb -0.00 -1.26 -0.09 0.00 0.00 0.00 0.00 36.38 35.03 2wf5 s VAL 160 CO 0.00 0.06 1.05 0.00 0.00 0.00 0.00 175.10 176.20 2wf5 s ALA 161 N -0.90 3.21 0.36 5.51 0.00 -1.26 -3.48 121.76 125.20 2wf5 s ALA 161 Ca 0.04 0.73 0.10 0.00 0.00 0.00 0.00 51.96 52.84 2wf5 s ALA 161 Cb -0.09 -3.27 0.87 0.00 0.00 0.00 0.00 23.12 20.63 2wf5 s ALA 161 CO 0.02 -0.13 1.85 -1.35 0.00 0.00 0.00 175.76 176.15 2wf5 h PRO 162 N 3.07 0.62 0.00 0.00 0.11 -1.91 -0.78 132.00 133.11 2wf5 h PRO 162 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2wf5 h PRO 162 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2wf5 h PRO 162 CO 0.64 0.41 0.00 -1.13 -0.21 0.00 0.00 178.00 177.71 2wf5 n SER 163 N -4.59 0.05 -1.61 -2.05 3.41 -1.25 -1.50 113.62 106.08 2wf5 n SER 163 Ca 0.19 0.51 0.08 0.00 -0.26 0.00 0.00 58.87 59.39 2wf5 n SER 163 Cb 0.55 -0.52 0.36 0.00 -0.26 0.00 0.00 64.21 64.34 2wf5 n SER 163 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wf5 n GLU 164 N -1.56 4.25 -4.26 4.33 1.02 -0.30 -4.90 120.64 119.22 2wf5 n GLU 164 Ca 0.03 -3.03 -0.21 0.00 -0.02 0.00 0.00 57.16 53.94 2wf5 n GLU 164 Cb 0.15 -2.09 -0.12 0.00 -0.02 0.00 0.00 31.44 29.36 2wf5 n GLU 164 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2wf5 s SER 165 N -1.04 2.23 -0.11 1.62 0.01 -0.56 -0.63 113.70 115.22 2wf5 s SER 165 Ca 0.51 -0.74 -0.03 0.00 1.31 0.00 0.00 55.95 57.00 2wf5 s SER 165 Cb 0.38 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.47 2wf5 s SER 165 CO 0.17 -0.05 -0.00 -0.63 0.41 0.00 0.00 173.24 173.14 2wf5 s ILE 166 N -1.64 4.25 -0.10 1.44 1.01 -0.79 -1.63 121.20 123.75 2wf5 s ILE 166 Ca 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.46 2wf5 s ILE 166 Cb -0.08 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 2wf5 s ILE 166 CO 0.04 0.57 -0.09 -0.83 0.00 0.00 0.00 174.94 174.63 2wf5 s GLY 167 N -0.55 1.64 -0.18 6.18 0.00 -0.12 -0.39 107.32 113.89 2wf5 s GLY 167 Ca 0.09 -0.89 -0.03 0.00 0.00 0.00 0.00 44.72 43.89 2wf5 s GLY 167 CO 0.02 -0.45 -0.06 1.08 0.00 0.00 0.00 173.10 173.69 2wf5 s LEU 168 N -0.29 2.95 0.00 0.66 1.43 -0.64 -1.43 118.68 121.36 2wf5 s LEU 168 Ca 0.03 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 2wf5 s LEU 168 Cb -0.13 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.38 2wf5 s LEU 168 CO 0.03 0.08 0.22 -1.61 0.23 0.00 0.00 176.35 175.29 2wf5 s GLU 169 N 0.90 0.60 0.00 1.70 0.41 -1.18 -1.86 118.70 119.27 2wf5 s GLU 169 Ca -0.01 -0.35 0.11 0.00 -0.41 0.00 0.00 54.97 54.31 2wf5 s GLU 169 Cb -0.15 0.26 0.16 0.00 -1.78 0.00 0.00 34.13 32.62 2wf5 s GLU 169 CO 0.01 -0.16 0.98 -0.40 -0.49 0.00 0.00 175.26 175.20 2wf5 n ASP 170 N 1.25 2.25 -4.23 -0.19 5.75 -1.26 -1.21 116.55 118.90 2wf5 n ASP 170 Ca -0.22 -1.63 -0.20 0.00 -0.01 0.00 0.00 54.79 52.73 2wf5 n ASP 170 Cb 0.56 -0.07 -0.12 0.00 -1.03 0.00 0.00 41.12 40.46 2wf5 n ASP 170 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2wf5 s SER 171 N -0.96 2.10 0.13 -1.12 1.04 -1.26 -4.88 113.70 108.75 2wf5 s SER 171 Ca 0.16 -0.69 -0.18 0.00 0.48 0.00 0.00 55.95 55.72 2wf5 s SER 171 Cb 0.10 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 2wf5 s SER 171 CO 0.15 -0.04 1.77 1.56 0.98 0.00 0.00 173.24 177.66 2wf5 h GLN 172 N 4.01 0.28 -0.77 4.02 4.20 -1.82 -0.77 115.11 124.25 2wf5 h GLN 172 Ca -0.43 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.24 2wf5 h GLN 172 Cb 1.19 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.87 2wf5 h GLN 172 CO 0.42 0.18 0.36 0.00 -0.67 0.00 0.00 178.83 179.13 2wf5 h ALA 173 N 1.13 1.00 -0.15 3.87 0.00 -1.86 -2.32 119.26 120.92 2wf5 h ALA 173 Ca 0.10 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2wf5 h ALA 173 Cb 0.02 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 2wf5 h ALA 173 CO -0.06 0.57 -0.63 0.78 0.00 0.00 0.00 179.25 179.90 2wf5 h GLY 174 N 1.09 0.61 1.00 0.00 0.00 -1.78 -1.92 103.07 102.07 2wf5 h GLY 174 Ca 0.26 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2wf5 h GLY 174 CO -0.03 0.69 0.35 -2.22 0.00 0.00 0.00 176.54 175.33 2wf5 h ILE 175 N 0.41 1.15 -0.82 2.60 2.04 -1.00 -0.79 117.51 121.10 2wf5 h ILE 175 Ca -0.01 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 2wf5 h ILE 175 Cb 1.20 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 2wf5 h ILE 175 CO 0.12 0.15 0.45 -0.61 0.00 0.00 0.00 178.15 178.26 2wf5 h GLN 176 N 0.74 1.14 -0.63 2.37 5.75 -1.32 -1.06 115.11 122.09 2wf5 h GLN 176 Ca 0.20 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2wf5 h GLN 176 Cb -0.05 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.24 2wf5 h GLN 176 CO -0.04 0.83 0.38 0.00 -2.65 0.00 0.00 178.83 177.35 2wf5 h ALA 177 N 1.24 0.80 -0.22 3.38 0.00 -1.00 -1.64 119.26 121.82 2wf5 h ALA 177 Ca 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2wf5 h ALA 177 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2wf5 h ALA 177 CO -0.05 0.28 0.09 0.82 0.00 0.00 0.00 179.25 180.39 2wf5 h ILE 178 N 0.85 1.16 -0.45 0.00 2.04 -0.89 -2.21 117.51 118.02 2wf5 h ILE 178 Ca 0.23 -0.49 0.07 0.00 1.00 0.00 0.00 64.86 65.67 2wf5 h ILE 178 Cb -0.03 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 2wf5 h ILE 178 CO -0.04 0.16 0.08 0.11 0.00 0.00 0.00 178.15 178.46 2wf5 h LYS 179 N 0.20 0.20 0.00 2.37 1.57 -0.98 -2.13 116.57 117.81 2wf5 h LYS 179 Ca 0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2wf5 h LYS 179 Cb 0.17 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2wf5 h LYS 179 CO -0.01 0.13 0.00 -0.25 -0.57 0.00 0.00 179.45 178.76 2wf5 n ASP 180 N -5.12 0.33 0.13 0.86 8.00 -0.64 -2.67 116.55 117.45 2wf5 n ASP 180 Ca 0.04 0.55 0.01 0.00 0.71 0.00 0.00 54.79 56.10 2wf5 n ASP 180 Cb 0.22 -0.63 0.01 0.00 -0.02 0.00 0.00 41.12 40.69 2wf5 n ASP 180 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2wf5 h SER 181 N 0.00 0.00 0.00 -2.24 4.64 -0.73 -3.46 113.55 111.75 2wf5 h SER 181 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wf5 h SER 181 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2wf5 h SER 181 CO 0.00 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 2wf5 n GLY 182 N 1.24 0.12 3.82 -0.77 0.00 -1.09 -4.63 105.19 103.88 2wf5 n GLY 182 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2wf5 n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wf5 s ALA 183 N -2.00 2.28 -0.29 4.61 0.00 -1.18 -3.88 121.76 121.30 2wf5 s ALA 183 Ca 0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 51.96 51.47 2wf5 s ALA 183 Cb 0.00 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.02 2wf5 s ALA 183 CO 0.00 -1.75 0.38 -1.17 0.00 0.00 0.00 175.76 173.22 2wf5 s LEU 184 N -5.75 4.13 0.19 0.00 2.96 -0.64 -4.46 118.68 115.11 2wf5 s LEU 184 Ca 0.61 0.17 -0.28 0.00 -0.22 0.00 0.00 54.13 54.42 2wf5 s LEU 184 Cb -0.14 -2.42 -0.08 0.00 0.50 0.00 0.00 46.19 44.05 2wf5 s LEU 184 CO 0.53 -0.24 0.85 -2.16 -1.32 0.00 0.00 176.35 174.02 2wf5 s PRO 185 N 2.09 4.70 -0.20 0.98 0.04 -1.26 -0.95 135.00 140.40 2wf5 s PRO 185 Ca 0.15 1.31 -0.00 0.00 0.04 0.00 0.00 61.00 62.50 2wf5 s PRO 185 Cb -0.16 -3.28 0.05 0.00 0.04 0.00 0.00 34.50 31.16 2wf5 s PRO 185 CO 0.11 0.53 -0.04 0.42 0.04 0.00 0.00 177.00 178.06 2wf5 s ILE 186 N -1.10 1.22 0.38 0.56 1.01 -0.52 -4.31 121.20 118.43 2wf5 s ILE 186 Ca 0.38 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 60.04 2wf5 s ILE 186 Cb -0.24 -1.49 -0.06 0.00 0.01 0.00 0.00 42.46 40.68 2wf5 s ILE 186 CO 0.29 -0.04 0.72 -0.83 0.00 0.00 0.00 174.94 175.08 2wf5 s GLY 187 N 1.56 1.91 -0.14 6.18 0.00 -0.49 -3.13 107.32 113.20 2wf5 s GLY 187 Ca -0.03 -0.30 0.01 0.00 0.00 0.00 0.00 44.72 44.40 2wf5 s GLY 187 CO -0.07 -0.13 -0.15 0.54 0.00 0.00 0.00 173.10 173.28 2wf5 s VAL 188 N -2.31 1.62 -5.00 1.40 0.11 -0.35 -0.77 120.40 115.10 2wf5 s VAL 188 Ca 0.49 -0.68 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 2wf5 s VAL 188 Cb -0.10 -1.50 0.00 0.00 -1.53 0.00 0.00 36.38 33.25 2wf5 s VAL 188 CO 0.31 0.47 0.00 0.61 -3.33 0.00 0.00 175.10 173.16 2wf5 n GLY 189 N 4.55 0.35 3.84 6.54 0.00 -0.60 -4.43 105.19 115.43 2wf5 n GLY 189 Ca -0.18 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.04 2wf5 n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wf5 s ARG 190 N -2.00 3.51 0.50 1.61 0.52 -1.26 -4.37 118.95 117.46 2wf5 s ARG 190 Ca 0.00 -0.17 0.23 0.00 -0.52 0.00 0.00 55.73 55.27 2wf5 s ARG 190 Cb 0.00 -3.19 1.32 0.00 0.52 0.00 0.00 34.95 33.61 2wf5 s ARG 190 CO 0.00 0.70 2.05 -1.00 0.02 0.00 0.00 175.30 177.07 2wf5 h PRO 191 N 5.26 0.00 -0.81 3.54 0.13 -1.95 0.57 132.00 138.74 2wf5 h PRO 191 Ca -0.52 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.77 2wf5 h PRO 191 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 2wf5 h PRO 191 CO 0.60 0.14 0.54 0.93 -0.23 0.00 0.00 178.00 179.98 2wf5 h GLU 192 N 0.00 0.43 0.09 0.86 3.07 -1.95 0.15 114.58 117.24 2wf5 h GLU 192 Ca -0.00 -0.03 -0.37 0.00 -0.50 0.00 0.00 59.36 58.46 2wf5 h GLU 192 Cb 0.31 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.10 2wf5 h GLU 192 CO 0.02 0.28 -2.11 -0.25 -1.40 0.00 0.00 179.01 175.56 2wf5 n ASP 193 N -4.49 2.03 -0.00 1.42 8.00 -0.46 -4.71 116.55 118.33 2wf5 n ASP 193 Ca 0.16 0.13 0.07 0.00 0.71 0.00 0.00 54.79 55.86 2wf5 n ASP 193 Cb 0.57 -0.71 -0.09 0.00 -0.02 0.00 0.00 41.12 40.87 2wf5 n ASP 193 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wf5 n LEU 194 N -3.41 0.53 0.00 0.64 4.77 0.07 -4.78 117.00 114.82 2wf5 n LEU 194 Ca -0.35 -0.38 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 2wf5 n LEU 194 Cb 1.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 2wf5 n LEU 194 CO 0.39 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2wf5 n GLY 195 N 1.42 2.65 1.36 -0.72 0.00 0.51 -4.86 105.19 105.56 2wf5 n GLY 195 Ca 0.01 -1.95 0.10 0.00 0.00 0.00 0.00 46.02 44.18 2wf5 n GLY 195 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wf5 n ASP 196 N 0.00 4.28 -0.50 1.61 5.75 -1.26 -4.55 116.55 121.88 2wf5 n ASP 196 Ca 0.00 -2.31 0.05 0.00 -0.01 0.00 0.00 54.79 52.52 2wf5 n ASP 196 Cb 0.00 -0.51 0.09 0.00 -1.03 0.00 0.00 41.12 39.67 2wf5 n ASP 196 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2wf5 n ASP 197 N 1.08 2.39 -4.36 -1.12 5.75 -1.26 -4.99 116.55 114.04 2wf5 n ASP 197 Ca 0.23 -1.74 -0.18 0.00 -0.01 0.00 0.00 54.79 53.10 2wf5 n ASP 197 Cb 0.76 -0.11 -0.10 0.00 -1.03 0.00 0.00 41.12 40.64 2wf5 n ASP 197 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 2wf5 s ILE 198 N -0.93 0.80 0.10 2.12 -4.36 -1.26 -5.12 121.20 112.55 2wf5 s ILE 198 Ca 0.17 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 58.25 2wf5 s ILE 198 Cb 0.10 -2.64 -0.07 0.00 1.25 0.00 0.00 42.46 41.10 2wf5 s ILE 198 CO 0.14 -0.05 1.29 -0.69 0.24 0.00 0.00 174.94 175.86 2wf5 s VAL 199 N -3.58 3.64 -0.01 8.37 1.01 -1.26 -4.97 120.40 123.60 2wf5 s VAL 199 Ca 0.36 1.20 0.03 0.00 0.00 0.00 0.00 61.98 63.57 2wf5 s VAL 199 Cb 0.08 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 2wf5 s VAL 199 CO 0.13 0.11 -0.09 -0.63 0.00 0.00 0.00 175.10 174.62 2wf5 s ILE 200 N 0.94 0.76 0.19 2.22 -1.09 -1.26 -1.40 121.20 121.55 2wf5 s ILE 200 Ca 0.61 -0.39 0.10 0.00 -2.23 0.00 0.00 60.65 58.73 2wf5 s ILE 200 Cb -0.33 -0.64 -0.04 0.00 -1.58 0.00 0.00 42.46 39.86 2wf5 s ILE 200 CO 0.31 0.22 -0.17 0.68 -1.23 0.00 0.00 174.94 174.75 2wf5 s VAL 201 N -0.12 2.74 -0.27 2.92 -7.23 0.05 -4.96 120.40 113.54 2wf5 s VAL 201 Ca 0.02 -1.87 0.19 0.00 -1.81 0.00 0.00 61.98 58.50 2wf5 s VAL 201 Cb -0.05 -2.34 0.16 0.00 0.56 0.00 0.00 36.38 34.71 2wf5 s VAL 201 CO -0.00 -0.12 1.46 1.55 -0.31 0.00 0.00 175.10 177.67 2wf5 h PRO 202 N 3.04 0.00 -3.17 4.82 0.13 -1.88 -1.60 132.00 133.34 2wf5 h PRO 202 Ca -0.46 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.68 2wf5 h PRO 202 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 2wf5 h PRO 202 CO 0.51 0.27 0.12 0.16 -0.23 0.00 0.00 178.00 178.84 2wf5 s ASP 203 N -6.28 -0.30 0.06 1.44 -4.77 -1.26 -4.36 116.67 101.20 2wf5 s ASP 203 Ca 0.05 -0.49 0.20 0.00 -3.30 0.00 0.00 52.55 49.00 2wf5 s ASP 203 Cb 0.07 0.64 0.82 0.00 -1.09 0.00 0.00 42.92 43.36 2wf5 s ASP 203 CO 0.72 -1.16 1.62 0.35 0.70 0.00 0.00 175.17 177.40 2wf5 n THR 204 N -0.40 0.74 0.30 2.11 -2.24 -1.26 -2.52 114.28 111.01 2wf5 n THR 204 Ca -0.08 0.16 0.16 0.00 -2.27 0.00 0.00 64.05 62.02 2wf5 n THR 204 Cb 0.61 -0.90 0.93 0.00 -2.10 0.00 0.00 70.33 68.88 2wf5 n THR 204 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2wf5 h SER 205 N 0.00 0.00 1.20 3.42 4.64 -1.93 -1.18 113.55 119.71 2wf5 h SER 205 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wf5 h SER 205 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2wf5 h SER 205 CO 0.00 0.03 0.00 0.45 -0.87 0.00 0.00 176.83 176.44 2wf5 h HIS 206 N 0.00 0.00 -0.80 4.77 3.86 -1.81 -3.39 115.15 117.77 2wf5 h HIS 206 Ca -0.00 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 2wf5 h HIS 206 Cb 0.10 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.50 2wf5 h HIS 206 CO 0.00 0.00 1.95 0.71 0.86 0.00 0.00 177.93 181.45 2wf5 s TYR 207 N -3.41 2.61 0.18 2.45 4.12 -0.45 -4.73 117.35 118.11 2wf5 s TYR 207 Ca 0.04 -1.19 0.07 0.00 0.02 0.00 0.00 57.07 56.01 2wf5 s TYR 207 Cb 0.09 -4.62 -0.04 0.00 -1.52 0.00 0.00 41.96 35.87 2wf5 s TYR 207 CO 0.54 -1.71 0.01 0.95 0.02 0.00 0.00 175.55 175.36 2wf5 s THR 208 N 5.53 3.78 0.26 -0.71 -4.23 -1.26 -4.68 115.64 114.33 2wf5 s THR 208 Ca 0.56 -1.41 -0.02 0.00 -1.18 0.00 0.00 61.69 59.64 2wf5 s THR 208 Cb 0.03 -2.90 0.23 0.00 1.34 0.00 0.00 72.50 71.20 2wf5 s THR 208 CO 0.08 -0.12 1.80 0.25 -0.54 0.00 0.00 174.62 176.09 2wf5 h LEU 209 N 2.66 0.68 -0.62 4.79 5.85 -1.92 -1.13 115.31 125.62 2wf5 h LEU 209 Ca -0.47 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.35 2wf5 h LEU 209 Cb 1.20 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 2wf5 h LEU 209 CO 0.58 0.36 0.36 1.05 -0.34 0.00 0.00 178.44 180.45 2wf5 h GLU 210 N 0.78 0.68 -0.31 1.25 9.09 -1.96 -0.97 114.58 123.14 2wf5 h GLU 210 Ca 0.44 -0.04 -0.12 0.00 0.05 0.00 0.00 59.36 59.68 2wf5 h GLU 210 Cb 0.47 -0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 27.41 2wf5 h GLU 210 CO -0.28 0.45 -0.29 0.35 0.05 0.00 0.00 179.01 179.29 2wf5 h PHE 211 N 0.70 0.89 -0.78 2.06 3.57 -1.67 0.07 116.94 121.77 2wf5 h PHE 211 Ca 0.26 -0.26 0.09 0.00 3.53 0.00 0.00 57.97 61.58 2wf5 h PHE 211 Cb 0.08 -0.19 -0.07 0.00 2.79 0.00 0.00 35.95 38.56 2wf5 h PHE 211 CO -0.07 1.02 0.44 -0.07 -2.23 0.00 0.00 178.31 177.40 2wf5 h LEU 212 N 0.50 0.63 -0.38 0.59 4.07 -1.00 0.45 115.31 120.16 2wf5 h LEU 212 Ca 0.05 0.04 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 2wf5 h LEU 212 Cb 0.86 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.50 2wf5 h LEU 212 CO 0.07 0.37 0.18 0.11 -1.08 0.00 0.00 178.44 178.09 2wf5 h LYS 213 N 0.76 0.56 -0.59 1.13 1.57 -1.00 -1.03 116.57 117.97 2wf5 h LYS 213 Ca 0.37 -0.09 0.10 0.00 -1.87 0.00 0.00 60.65 59.16 2wf5 h LYS 213 Cb 0.32 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.46 2wf5 h LYS 213 CO -0.23 0.51 0.19 1.49 -0.57 0.00 0.00 179.45 180.83 2wf5 h GLU 214 N 0.48 0.34 -0.12 3.15 4.81 -0.03 -1.49 114.58 121.71 2wf5 h GLU 214 Ca 0.13 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2wf5 h GLU 214 Cb 0.14 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2wf5 h GLU 214 CO -0.01 0.22 -0.05 0.28 -0.73 0.00 0.00 179.01 178.71 2wf5 h VAL 215 N 0.35 1.32 -0.89 0.32 2.07 -0.86 -2.33 116.25 116.23 2wf5 h VAL 215 Ca 0.30 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.77 2wf5 h VAL 215 Cb 0.39 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 2wf5 h VAL 215 CO -0.33 0.31 0.58 -0.25 0.02 0.00 0.00 177.57 177.89 2wf5 h TRP 216 N -0.11 1.08 -0.29 1.57 2.91 -0.95 -2.53 115.95 117.63 2wf5 h TRP 216 Ca 0.03 0.03 -0.14 0.00 1.13 0.00 0.00 58.89 59.94 2wf5 h TRP 216 Cb 0.51 -0.36 -0.01 0.00 -0.51 0.00 0.00 29.16 28.79 2wf5 h TRP 216 CO 0.07 0.63 -0.38 1.25 -1.03 0.00 0.00 178.44 178.98 2wf5 h LEU 217 N 1.13 0.72 0.00 0.65 5.85 -1.28 -3.51 115.31 118.86 2wf5 h LEU 217 Ca 0.35 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2wf5 h LEU 217 Cb -0.02 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.81 2wf5 h LEU 217 CO -0.11 1.02 0.00 0.00 -0.34 0.00 0.00 178.44 179.01