#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wua s THR 6 N 0.00 4.40 0.21 12.58 -4.23 -1.26 -4.98 115.64 122.36 1wua s THR 6 Ca 0.00 1.88 -0.08 0.00 -1.18 0.00 0.00 61.69 62.31 1wua s THR 6 Cb 0.00 -4.23 -0.07 0.00 1.34 0.00 0.00 72.50 69.54 1wua s THR 6 CO 0.00 0.43 0.50 0.00 -0.54 0.00 0.00 174.62 175.01 1wua s ALA 7 N -0.62 3.63 0.08 3.99 0.00 -1.26 -4.19 121.76 123.38 1wua s ALA 7 Ca 0.41 -0.35 0.03 0.00 0.00 0.00 0.00 51.96 52.04 1wua s ALA 7 Cb -0.23 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 1wua s ALA 7 CO 0.28 0.55 0.09 -0.51 0.00 0.00 0.00 175.76 176.17 1wua s LEU 8 N -2.78 3.84 -0.10 0.00 1.43 0.14 -0.48 118.68 120.74 1wua s LEU 8 Ca 0.46 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 1wua s LEU 8 Cb -0.11 -2.52 0.02 0.00 0.03 0.00 0.00 46.19 43.61 1wua s LEU 8 CO 0.22 0.17 -0.10 -0.69 0.23 0.00 0.00 176.35 176.18 1wua s VAL 9 N -1.40 1.14 -0.17 -1.59 1.01 -0.21 -0.65 120.40 118.52 1wua s VAL 9 Ca 0.30 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1wua s VAL 9 Cb -0.12 -1.10 0.04 0.00 0.00 0.00 0.00 36.38 35.21 1wua s VAL 9 CO 0.22 0.37 -0.04 0.00 0.00 0.00 0.00 175.10 175.65 1wua s ASP 11 N 1.64 6.13 -1.29 0.00 3.68 0.92 -2.03 116.67 125.72 1wua s ASP 11 Ca 0.00 -0.80 -0.14 0.00 2.13 0.00 0.00 52.55 53.74 1wua s ASP 11 Cb -0.16 -2.18 0.12 0.00 -1.45 0.00 0.00 42.92 39.26 1wua s ASP 11 CO -0.08 -0.47 1.75 0.59 0.13 0.00 0.00 175.17 177.09 1wua n ASN 12 N 5.27 4.89 -4.86 -0.34 4.13 -1.26 -1.73 115.26 121.36 1wua n ASN 12 Ca -0.10 -2.96 -0.31 0.00 1.68 0.00 0.00 54.58 52.89 1wua n ASN 12 Cb 0.47 -1.62 -0.02 0.00 -1.54 0.00 0.00 39.78 37.07 1wua n ASN 12 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1wua s GLY 13 N 2.92 1.91 0.37 7.41 0.00 -0.94 -4.95 107.32 114.05 1wua s GLY 13 Ca 0.46 -0.05 0.05 0.00 0.00 0.00 0.00 44.72 45.18 1wua s GLY 13 CO 0.01 0.19 2.01 1.76 0.00 0.00 0.00 173.10 177.07 1wua h SER 14 N 0.76 0.57 0.00 1.64 0.02 -1.92 -3.32 113.55 111.30 1wua h SER 14 Ca -0.46 -0.03 -0.41 0.00 -0.84 0.00 0.00 61.79 60.04 1wua h SER 14 Cb 1.19 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.52 1wua h SER 14 CO 0.62 0.45 -2.41 0.61 -1.14 0.00 0.00 176.83 174.96 1wua n GLY 15 N -1.34 -0.39 2.99 -3.77 0.00 -1.26 -4.64 105.19 96.77 1wua n GLY 15 Ca 0.04 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1wua n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wua s LEU 16 N -7.14 1.77 -0.04 0.99 1.43 -1.25 -1.19 118.68 113.25 1wua s LEU 16 Ca -0.35 -0.17 -0.27 0.00 -1.03 0.00 0.00 54.13 52.31 1wua s LEU 16 Cb 0.12 -0.51 -0.03 0.00 0.03 0.00 0.00 46.19 45.80 1wua s LEU 16 CO 0.48 0.05 0.84 -0.69 0.23 0.00 0.00 176.35 177.26 1wua s VAL 17 N 0.23 4.96 -0.21 -1.59 1.01 0.24 -2.21 120.40 122.83 1wua s VAL 17 Ca -0.03 1.75 -0.04 0.00 0.00 0.00 0.00 61.98 63.66 1wua s VAL 17 Cb -0.08 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 1wua s VAL 17 CO 0.00 0.20 -0.04 -0.54 0.00 0.00 0.00 175.10 174.73 1wua s LYS 18 N 0.93 3.44 0.04 2.72 3.01 -0.71 -1.83 119.74 127.34 1wua s LYS 18 Ca 0.45 -0.60 0.00 0.00 -1.01 0.00 0.00 55.97 54.81 1wua s LYS 18 Cb -0.19 -3.00 -0.03 0.00 -1.01 0.00 0.00 37.83 33.60 1wua s LYS 18 CO 0.23 -0.12 -0.04 0.00 0.51 0.00 0.00 175.35 175.93 1wua s ALA 19 N 1.28 0.39 0.00 5.17 0.00 0.18 -0.05 121.76 128.73 1wua s ALA 19 Ca 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1wua s ALA 19 Cb -0.14 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1wua s ALA 19 CO -0.01 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1wua n GLY 20 N 1.09 -0.59 3.43 0.00 0.00 -0.52 -1.30 105.19 107.31 1wua n GLY 20 Ca -0.20 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 1wua n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wua s PHE 21 N -3.26 2.91 0.25 1.61 0.08 -1.26 -1.05 117.98 117.27 1wua s PHE 21 Ca 0.00 -0.48 -0.31 0.00 0.12 0.00 0.00 56.93 56.26 1wua s PHE 21 Cb 0.00 -1.90 -0.13 0.00 -0.57 0.00 0.00 43.02 40.42 1wua s PHE 21 CO 0.00 -0.13 1.46 0.00 -0.10 0.00 0.00 175.22 176.45 1wua n ALA 22 N 3.52 1.48 0.00 5.36 0.00 0.37 -1.91 120.51 129.34 1wua n ALA 22 Ca -0.18 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1wua n ALA 22 Cb 0.53 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1wua n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wua n GLY 23 N 2.19 2.70 3.79 0.00 0.00 -1.24 -4.71 105.19 107.92 1wua n GLY 23 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1wua n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wua s ASP 24 N 0.21 5.34 0.28 1.61 1.01 -0.80 -4.98 116.67 119.35 1wua s ASP 24 Ca 0.00 1.83 0.24 0.00 0.71 0.00 0.00 52.55 55.34 1wua s ASP 24 Cb 0.00 -2.53 0.50 0.00 1.01 0.00 0.00 42.92 41.90 1wua s ASP 24 CO 0.00 -1.47 1.59 0.44 0.21 0.00 0.00 175.17 175.93 1wua h ASP 25 N -0.11 0.00 -5.05 0.27 3.32 -1.98 -3.47 116.42 109.40 1wua h ASP 25 Ca -0.46 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.47 1wua h ASP 25 Cb 1.23 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.61 1wua h ASP 25 CO 0.55 0.01 -0.24 0.00 -1.72 0.00 0.00 179.24 177.85 1wua s ALA 26 N -3.17 -0.71 0.21 3.45 0.00 -1.26 -4.88 121.76 115.39 1wua s ALA 26 Ca 0.08 0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.78 1wua s ALA 26 Cb 0.09 0.31 -0.09 0.00 0.00 0.00 0.00 23.12 23.43 1wua s ALA 26 CO 0.66 -0.41 1.37 -1.25 0.00 0.00 0.00 175.76 176.13 1wua s PRO 27 N -2.49 4.34 0.32 0.00 0.04 -1.26 -4.80 135.00 131.15 1wua s PRO 27 Ca -0.05 2.15 0.12 0.00 0.04 0.00 0.00 61.00 63.25 1wua s PRO 27 Cb -0.01 -3.17 0.52 0.00 0.04 0.00 0.00 34.50 31.88 1wua s PRO 27 CO -0.03 -0.33 1.71 -0.09 0.04 0.00 0.00 177.00 178.29 1wua h ARG 28 N 5.41 0.00 -4.74 4.56 2.43 -1.63 -3.44 114.38 116.97 1wua h ARG 28 Ca -0.45 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.14 1wua h ARG 28 Cb 1.21 0.00 -0.34 0.00 -0.42 0.00 0.00 29.97 30.42 1wua h ARG 28 CO 0.79 0.51 -0.83 0.00 -1.51 0.00 0.00 179.97 178.92 1wua s ALA 29 N -3.84 1.67 -0.11 2.80 0.00 -0.42 -5.02 121.76 116.85 1wua s ALA 29 Ca -0.02 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 1wua s ALA 29 Cb 0.13 -0.81 0.04 0.00 0.00 0.00 0.00 23.12 22.48 1wua s ALA 29 CO 0.74 -0.05 0.03 0.08 0.00 0.00 0.00 175.76 176.56 1wua s VAL 30 N 0.94 0.28 0.05 0.00 1.01 -1.26 -0.65 120.40 120.78 1wua s VAL 30 Ca -0.08 -0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 1wua s VAL 30 Cb -0.15 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.66 1wua s VAL 30 CO -0.01 0.08 0.33 0.72 0.00 0.00 0.00 175.10 176.22 1wua s PHE 31 N 2.00 -0.14 0.37 5.22 -0.12 -0.76 -4.98 117.98 119.57 1wua s PHE 31 Ca 0.03 0.01 -0.28 0.00 -0.05 0.00 0.00 56.93 56.64 1wua s PHE 31 Cb -0.14 0.13 -0.11 0.00 -0.63 0.00 0.00 43.02 42.28 1wua s PHE 31 CO -0.06 -0.53 1.43 -2.14 -0.05 0.00 0.00 175.22 173.87 1wua s PRO 32 N -2.65 4.15 -1.43 1.99 0.02 -1.26 -0.59 135.00 135.22 1wua s PRO 32 Ca -0.04 2.47 -0.12 0.00 0.02 0.00 0.00 61.00 63.33 1wua s PRO 32 Cb -0.00 -2.98 0.06 0.00 0.02 0.00 0.00 34.50 31.60 1wua s PRO 32 CO -0.04 -0.46 2.28 0.43 -0.33 0.00 0.00 177.00 178.88 1wua n SER 33 N 0.51 5.26 -3.89 2.53 7.64 -0.33 -3.67 113.62 121.66 1wua n SER 33 Ca 0.01 -2.88 -0.17 0.00 1.01 0.00 0.00 58.87 56.83 1wua n SER 33 Cb 0.40 -1.58 -0.15 0.00 -1.01 0.00 0.00 64.21 61.87 1wua n SER 33 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wua s ILE 34 N 2.04 0.34 -0.10 0.44 1.01 -1.26 -4.41 121.20 119.26 1wua s ILE 34 Ca 0.49 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 61.09 1wua s ILE 34 Cb 0.14 -0.36 -0.01 0.00 0.01 0.00 0.00 42.46 42.24 1wua s ILE 34 CO -0.06 0.15 -0.18 -0.69 0.00 0.00 0.00 174.94 174.16 1wua s VAL 35 N 0.54 2.67 -0.25 2.92 1.01 -0.55 -1.11 120.40 125.63 1wua s VAL 35 Ca -0.06 -0.81 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 1wua s VAL 35 Cb -0.09 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1wua s VAL 35 CO -0.01 0.55 0.06 -0.83 0.00 0.00 0.00 175.10 174.87 1wua s GLY 36 N 0.14 1.75 0.05 4.51 0.00 0.12 0.23 107.32 114.11 1wua s GLY 36 Ca -0.09 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.51 1wua s GLY 36 CO 0.06 0.52 0.13 0.50 0.00 0.00 0.00 173.10 174.31 1wua s ARG 37 N 1.60 3.13 0.36 2.90 1.81 -0.21 -1.27 118.95 127.28 1wua s ARG 37 Ca 0.06 -0.54 -0.28 0.00 -1.72 0.00 0.00 55.73 53.25 1wua s ARG 37 Cb -0.15 -2.88 -0.12 0.00 -0.45 0.00 0.00 34.95 31.36 1wua s ARG 37 CO 0.03 0.61 1.37 -2.30 -0.68 0.00 0.00 175.30 174.32 1wua n PRO 38 N 0.60 2.32 -1.96 3.54 -0.02 -1.26 0.23 135.00 138.45 1wua n PRO 38 Ca -0.09 0.82 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 1wua n PRO 38 Cb 0.52 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.51 1wua n PRO 38 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1wua s ARG 39 N -2.01 4.24 0.34 -0.52 0.52 -1.13 -4.61 118.95 115.77 1wua s ARG 39 Ca 0.55 2.37 -0.28 0.00 -0.52 0.00 0.00 55.73 57.86 1wua s ARG 39 Cb -0.52 -3.06 -0.09 0.00 0.52 0.00 0.00 34.95 31.79 1wua s ARG 39 CO 0.62 -0.43 1.21 -1.01 0.02 0.00 0.00 175.30 175.72 1wua s HIS 40 N -0.42 3.18 -0.49 -0.53 3.76 -1.26 -5.04 115.29 114.49 1wua s HIS 40 Ca 0.57 1.53 -0.14 0.00 -0.15 0.00 0.00 55.06 56.87 1wua s HIS 40 Cb -0.43 -3.48 0.02 0.00 1.11 0.00 0.00 32.58 29.79 1wua s HIS 40 CO 0.49 -1.36 0.28 1.04 -0.85 0.00 0.00 174.74 174.34 1wua n GLN 41 N 0.63 -0.70 0.00 1.40 6.02 -1.26 -5.23 117.38 118.24 1wua n GLN 41 Ca 0.01 -0.24 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 1wua n GLN 41 Cb 0.44 -0.49 0.00 0.00 1.02 0.00 0.00 30.24 31.21 1wua n GLN 41 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1wua n ASP 51 N -0.38 0.00 -4.92 1.08 9.92 -1.26 -5.22 116.55 115.78 1wua n ASP 51 Ca -0.05 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 53.96 1wua n ASP 51 Cb 0.24 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.68 1wua n ASP 51 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1wua s SER 52 N -0.76 6.14 0.12 -2.24 0.01 -1.26 -4.18 113.70 111.53 1wua s SER 52 Ca 0.00 0.07 0.04 0.00 1.31 0.00 0.00 55.95 57.37 1wua s SER 52 Cb 0.00 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.40 1wua s SER 52 CO 0.00 0.02 -0.10 -0.31 0.41 0.00 0.00 173.24 173.26 1wua s TYR 53 N -1.82 1.14 -0.01 2.43 1.51 -0.40 -4.98 117.35 115.23 1wua s TYR 53 Ca 0.34 -0.72 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 1wua s TYR 53 Cb -0.10 -0.61 -0.01 0.00 -0.11 0.00 0.00 41.96 41.14 1wua s TYR 53 CO 0.27 0.02 -0.08 0.08 -1.11 0.00 0.00 175.55 174.74 1wua s VAL 54 N -2.94 0.60 0.00 0.71 1.01 -1.26 0.12 120.40 118.63 1wua s VAL 54 Ca 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1wua s VAL 54 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.88 1wua s VAL 54 CO -0.00 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1wua n GLY 55 N 2.91 0.09 0.36 4.51 0.00 -0.27 -3.88 105.19 108.91 1wua n GLY 55 Ca -0.13 -1.06 0.07 0.00 0.00 0.00 0.00 46.02 44.90 1wua n GLY 55 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wua h ASP 56 N 7.98 0.90 -0.05 1.61 3.32 -1.92 -1.59 116.42 126.67 1wua h ASP 56 Ca 0.00 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1wua h ASP 56 Cb 0.00 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1wua h ASP 56 CO 0.00 0.48 -0.19 -0.08 -1.72 0.00 0.00 179.24 177.73 1wua h GLU 57 N 0.97 0.42 -0.46 3.56 4.81 -1.98 0.39 114.58 122.30 1wua h GLU 57 Ca 0.49 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.56 1wua h GLU 57 Cb 0.49 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1wua h GLU 57 CO -0.27 0.60 0.19 0.00 -0.73 0.00 0.00 179.01 178.80 1wua h ALA 58 N 1.42 0.59 -0.44 2.92 0.00 -1.43 -1.56 119.26 120.77 1wua h ALA 58 Ca 0.07 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1wua h ALA 58 Cb 0.56 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1wua h ALA 58 CO 0.04 0.19 0.10 0.37 0.00 0.00 0.00 179.25 179.95 1wua h GLN 59 N 0.60 0.70 -1.00 0.00 5.75 -0.99 -2.05 115.11 118.13 1wua h GLN 59 Ca 0.15 -0.17 0.03 0.00 -0.15 0.00 0.00 58.65 58.50 1wua h GLN 59 Cb 0.18 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.59 1wua h GLN 59 CO -0.01 0.71 0.66 0.77 -2.65 0.00 0.00 178.83 178.31 1wua h SER 60 N 0.57 1.12 -0.53 -0.69 0.02 -0.77 -2.62 113.55 110.64 1wua h SER 60 Ca 0.14 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1wua h SER 60 Cb 0.33 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1wua h SER 60 CO 0.00 0.78 0.00 0.29 -1.14 0.00 0.00 176.83 176.77 1wua n LYS 61 N -4.42 4.37 0.07 3.45 5.02 -0.60 -4.63 118.16 121.42 1wua n LYS 61 Ca 0.13 -2.82 0.20 0.00 -2.02 0.00 0.00 58.31 53.81 1wua n LYS 61 Cb 0.06 -2.14 0.74 0.00 -0.02 0.00 0.00 35.03 33.67 1wua n LYS 61 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1wua h ARG 62 N 3.64 0.00 0.00 1.97 0.11 -0.97 -1.41 114.38 117.72 1wua h ARG 62 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1wua h ARG 62 Cb 1.76 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.84 1wua h ARG 62 CO 0.41 0.00 -0.01 0.78 0.10 0.00 0.00 179.97 181.25 1wua h GLY 63 N 0.00 0.00 -0.69 0.08 0.00 -1.86 -2.36 103.07 98.25 1wua h GLY 63 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1wua h GLY 63 CO -0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 1wua n ILE 64 N -3.17 1.02 -4.33 2.60 -5.35 -0.54 -5.05 119.36 104.54 1wua n ILE 64 Ca -0.02 -1.02 -0.17 0.00 -0.27 0.00 0.00 62.75 61.27 1wua n ILE 64 Cb 0.14 0.48 -0.10 0.00 -1.74 0.00 0.00 39.64 38.43 1wua n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1wua s LEU 65 N -1.04 2.18 -0.21 7.28 1.43 -0.89 -2.85 118.68 124.58 1wua s LEU 65 Ca 0.13 -1.23 -0.04 0.00 -1.03 0.00 0.00 54.13 51.96 1wua s LEU 65 Cb 0.07 -0.27 -0.02 0.00 0.03 0.00 0.00 46.19 46.00 1wua s LEU 65 CO 0.08 -0.52 -0.02 -0.89 0.23 0.00 0.00 176.35 175.24 1wua s THR 66 N -3.42 3.65 0.13 5.49 2.01 0.13 -4.75 115.64 118.88 1wua s THR 66 Ca 0.29 -0.41 -0.26 0.00 0.31 0.00 0.00 61.69 61.62 1wua s THR 66 Cb 0.06 -2.66 -0.07 0.00 0.01 0.00 0.00 72.50 69.84 1wua s THR 66 CO 0.09 0.42 0.81 -0.76 -0.69 0.00 0.00 174.62 174.49 1wua s LEU 67 N 1.30 4.54 0.05 4.42 1.43 -1.26 -1.04 118.68 128.12 1wua s LEU 67 Ca 0.04 1.63 0.08 0.00 -1.03 0.00 0.00 54.13 54.84 1wua s LEU 67 Cb -0.14 -3.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 1wua s LEU 67 CO -0.00 0.11 -0.22 -0.54 0.23 0.00 0.00 176.35 175.92 1wua s LYS 68 N -0.66 1.44 -0.56 1.70 -0.14 0.14 -4.98 119.74 116.68 1wua s LYS 68 Ca 0.38 -1.01 0.04 0.00 -1.36 0.00 0.00 55.97 54.02 1wua s LYS 68 Cb -0.23 -1.60 0.16 0.00 -1.68 0.00 0.00 37.83 34.49 1wua s LYS 68 CO 0.26 0.40 0.39 0.71 -0.76 0.00 0.00 175.35 176.36 1wua s TYR 69 N -0.85 2.53 -1.21 3.18 1.51 -1.26 -1.49 117.35 119.76 1wua s TYR 69 Ca 0.08 -2.87 0.22 0.00 -1.01 0.00 0.00 57.07 53.50 1wua s TYR 69 Cb -0.09 -2.03 1.04 0.00 -0.11 0.00 0.00 41.96 40.77 1wua s TYR 69 CO 0.02 -0.68 1.72 -0.35 -1.11 0.00 0.00 175.55 175.15 1wua n PRO 70 N 2.56 0.16 -4.03 -1.71 -0.04 -1.26 -4.44 135.00 126.23 1wua n PRO 70 Ca 0.20 0.10 -0.33 0.00 -0.04 0.00 0.00 63.50 63.43 1wua n PRO 70 Cb 0.39 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.20 1wua n PRO 70 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1wua s ILE 71 N -2.79 2.43 -0.32 0.52 1.01 -1.26 -0.45 121.20 120.34 1wua s ILE 71 Ca 0.16 -1.30 0.08 0.00 0.00 0.00 0.00 60.65 59.59 1wua s ILE 71 Cb 0.15 -2.29 0.46 0.00 0.01 0.00 0.00 42.46 40.78 1wua s ILE 71 CO 0.37 0.14 1.16 1.21 0.00 0.00 0.00 174.94 177.82 1wua n GLU 72 N 4.55 3.37 0.00 2.79 4.07 -1.26 -4.58 120.64 129.59 1wua n GLU 72 Ca -0.16 -4.17 0.00 0.00 -0.06 0.00 0.00 57.16 52.77 1wua n GLU 72 Cb 0.45 -2.20 0.00 0.00 -0.06 0.00 0.00 31.44 29.63 1wua n GLU 72 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1wua n GLY 74 N -0.64 0.00 3.65 8.31 0.00 -1.26 -4.75 105.19 110.50 1wua n GLY 74 Ca 0.39 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.07 1wua n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wua s ILE 75 N 0.00 4.64 -0.08 -0.61 -1.09 -1.26 -4.07 121.20 118.73 1wua s ILE 75 Ca 0.00 -0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 58.03 1wua s ILE 75 Cb 0.00 -3.05 -0.03 0.00 -1.58 0.00 0.00 42.46 37.80 1wua s ILE 75 CO 0.00 0.51 1.21 -0.63 -1.23 0.00 0.00 174.94 174.81 1wua s ILE 76 N -0.06 4.27 -0.02 2.92 1.01 -1.26 -4.31 121.20 123.75 1wua s ILE 76 Ca 0.06 1.58 0.01 0.00 0.00 0.00 0.00 60.65 62.29 1wua s ILE 76 Cb -0.12 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 1wua s ILE 76 CO 0.01 -0.03 0.02 0.35 0.00 0.00 0.00 174.94 175.29 1wua n THR 77 N 4.79 0.00 -3.81 2.92 -2.24 0.40 -4.94 114.28 111.40 1wua n THR 77 Ca 0.12 -0.32 -0.28 0.00 -2.27 0.00 0.00 64.05 61.30 1wua n THR 77 Cb 0.46 0.82 -0.16 0.00 -2.10 0.00 0.00 70.33 69.34 1wua n THR 77 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1wua s ASN 78 N -1.41 2.86 0.14 3.42 3.84 -1.22 -5.03 114.94 117.53 1wua s ASN 78 Ca 0.00 -0.74 -0.00 0.00 0.21 0.00 0.00 52.86 52.33 1wua s ASN 78 Cb 0.00 -0.75 -0.09 0.00 -0.55 0.00 0.00 41.25 39.86 1wua s ASN 78 CO 0.02 -0.25 1.31 -0.50 -2.79 0.00 0.00 177.10 174.90 1wua h TRP 79 N 8.18 0.40 -0.51 0.43 4.06 -1.92 -0.70 115.95 125.89 1wua h TRP 79 Ca -0.19 -0.23 -0.06 0.00 2.06 0.00 0.00 58.89 60.47 1wua h TRP 79 Cb 1.11 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 29.21 1wua h TRP 79 CO 0.38 1.08 0.10 -0.44 -3.56 0.00 0.00 178.44 176.00 1wua h ASP 80 N 0.13 0.80 -0.24 -3.49 3.32 -1.99 -0.21 116.42 114.74 1wua h ASP 80 Ca -0.07 -0.25 -0.14 0.00 0.02 0.00 0.00 57.03 56.60 1wua h ASP 80 Cb 1.63 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.95 1wua h ASP 80 CO 0.15 0.84 -0.34 0.44 -1.72 0.00 0.00 179.24 178.62 1wua h ASP 81 N 0.72 0.80 -0.53 6.45 3.32 -1.98 -2.62 116.42 122.58 1wua h ASP 81 Ca 0.16 -0.34 -0.06 0.00 0.02 0.00 0.00 57.03 56.81 1wua h ASP 81 Cb 0.37 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1wua h ASP 81 CO 0.01 1.07 0.12 -0.03 -1.72 0.00 0.00 179.24 178.68 1wua h MET 82 N 0.64 0.91 -0.92 3.56 4.05 -0.92 -1.52 114.93 120.74 1wua h MET 82 Ca 0.07 -0.21 0.04 0.00 -0.28 0.00 0.00 59.70 59.32 1wua h MET 82 Cb 0.88 -0.13 -0.06 0.00 -0.80 0.00 0.00 31.60 31.49 1wua h MET 82 CO 0.08 0.83 0.59 0.93 0.23 0.00 0.00 176.91 179.57 1wua h GLU 83 N 0.87 1.09 -0.69 0.39 5.08 -0.84 0.32 114.58 120.81 1wua h GLU 83 Ca 0.18 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1wua h GLU 83 Cb 0.35 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1wua h GLU 83 CO 0.00 0.72 0.26 0.87 -1.00 0.00 0.00 179.01 179.87 1wua h LYS 84 N 1.13 1.04 -0.40 2.33 1.79 -1.03 0.22 116.57 121.65 1wua h LYS 84 Ca 0.38 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 1wua h LYS 84 Cb 0.06 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 1wua h LYS 84 CO -0.14 0.88 0.23 0.82 -1.08 0.00 0.00 179.45 180.16 1wua h ILE 85 N 0.99 1.15 -0.51 1.86 2.04 -0.55 -1.01 117.51 121.48 1wua h ILE 85 Ca 0.23 -0.37 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 1wua h ILE 85 Cb 0.23 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1wua h ILE 85 CO -0.02 0.15 -0.12 -0.50 0.00 0.00 0.00 178.15 177.67 1wua h TRP 86 N 0.52 1.09 -0.45 1.37 6.55 -0.64 -0.18 115.95 124.22 1wua h TRP 86 Ca 0.14 -0.23 0.06 0.00 0.95 0.00 0.00 58.89 59.81 1wua h TRP 86 Cb 0.04 -0.27 -0.05 0.00 -0.86 0.00 0.00 29.16 28.03 1wua h TRP 86 CO -0.03 1.04 0.16 1.25 -1.05 0.00 0.00 178.44 179.81 1wua h HIS 87 N 0.84 0.28 -0.61 0.49 2.76 -0.41 -0.49 115.15 118.01 1wua h HIS 87 Ca 0.13 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 1wua h HIS 87 Cb 0.68 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.55 1wua h HIS 87 CO 0.05 0.10 0.35 1.25 -1.30 0.00 0.00 177.93 178.38 1wua h HIS 88 N 0.33 0.82 0.00 5.26 -0.00 -0.94 -0.24 115.15 120.38 1wua h HIS 88 Ca 0.21 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.59 1wua h HIS 88 Cb 0.21 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.33 1wua h HIS 88 CO -0.16 0.58 -0.12 1.15 -0.00 0.00 0.00 177.93 179.38 1wua h THR 89 N 0.83 0.71 0.23 6.26 2.02 -0.45 -0.45 112.91 122.05 1wua h THR 89 Ca 0.22 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 1wua h THR 89 Cb 0.01 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1wua h THR 89 CO -0.04 0.00 -0.11 -0.26 0.37 0.00 0.00 175.52 175.48 1wua h PHE 90 N -0.20 -0.28 0.09 3.16 0.05 -0.88 -0.55 116.94 118.33 1wua h PHE 90 Ca 0.04 -0.01 -0.34 0.00 3.82 0.00 0.00 57.97 61.49 1wua h PHE 90 Cb 0.25 0.09 -0.02 0.00 2.00 0.00 0.00 35.95 38.27 1wua h PHE 90 CO -0.18 0.06 -1.84 1.88 -0.18 0.00 0.00 178.31 178.06 1wua h TYR 91 N -0.67 0.36 0.06 -0.55 -1.99 -1.07 0.11 116.97 113.21 1wua h TYR 91 Ca -0.03 -0.26 -0.37 0.00 2.00 0.00 0.00 58.73 60.06 1wua h TYR 91 Cb 0.47 -0.01 -0.05 0.00 2.00 0.00 0.00 36.73 39.14 1wua h TYR 91 CO 0.03 1.50 -2.23 0.09 -0.00 0.00 0.00 178.16 177.56 1wua n ASN 92 N -3.36 1.90 -0.07 3.88 3.02 -0.30 -3.90 115.26 116.43 1wua n ASN 92 Ca -0.25 0.04 -0.07 0.00 -0.03 0.00 0.00 54.58 54.27 1wua n ASN 92 Cb 1.05 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 39.66 1wua n ASN 92 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1wua h GLU 93 N 0.03 0.00 0.00 3.52 4.39 -1.22 -3.40 114.58 117.90 1wua h GLU 93 Ca -0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.20 1wua h GLU 93 Cb 1.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.63 1wua h GLU 93 CO 0.00 0.24 -0.73 -0.07 -1.16 0.00 0.00 179.01 177.29 1wua h LEU 94 N -1.00 0.00 -1.77 1.33 3.38 -1.15 -3.48 115.31 112.62 1wua h LEU 94 Ca -0.07 -0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.55 1wua h LEU 94 Cb 0.59 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.48 1wua h LEU 94 CO -0.04 0.01 -0.79 0.54 0.09 0.00 0.00 178.44 178.24 1wua n ARG 95 N -2.74 -5.78 -4.34 1.13 1.74 0.22 -4.99 116.66 101.90 1wua n ARG 95 Ca 0.01 0.79 -0.18 0.00 -0.77 0.00 0.00 57.85 57.70 1wua n ARG 95 Cb 0.54 -5.68 -0.10 0.00 -1.02 0.00 0.00 32.46 26.20 1wua n ARG 95 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1wua s VAL 96 N -3.44 1.70 -0.29 1.55 -7.23 -0.24 -5.01 120.40 107.45 1wua s VAL 96 Ca 0.05 -2.20 -0.15 0.00 -1.81 0.00 0.00 61.98 57.86 1wua s VAL 96 Cb -0.01 -2.04 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 1wua s VAL 96 CO 0.75 -0.60 0.39 0.00 -0.31 0.00 0.00 175.10 175.33 1wua s ALA 97 N -3.00 3.54 0.46 1.32 0.00 -1.26 -4.20 121.76 118.63 1wua s ALA 97 Ca 0.22 -0.90 0.23 0.00 0.00 0.00 0.00 51.96 51.51 1wua s ALA 97 Cb -0.00 -2.78 1.35 0.00 0.00 0.00 0.00 23.12 21.69 1wua s ALA 97 CO 0.06 -0.80 2.08 -1.00 0.00 0.00 0.00 175.76 176.10 1wua h PRO 98 N 8.25 0.00 0.00 0.00 0.13 -1.93 -1.24 132.00 137.21 1wua h PRO 98 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1wua h PRO 98 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1wua h PRO 98 CO 0.67 0.12 0.00 -0.85 -0.23 0.00 0.00 178.00 177.71 1wua n GLU 99 N -3.95 0.01 -0.01 0.86 0.00 -1.22 -2.12 120.64 114.20 1wua n GLU 99 Ca -0.02 0.39 0.10 0.00 0.00 0.00 0.00 57.16 57.63 1wua n GLU 99 Cb 0.21 -1.50 0.09 0.00 0.00 0.00 0.00 31.44 30.24 1wua n GLU 99 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1wua n GLU 100 N -1.46 1.88 -3.84 3.44 1.02 -0.47 -4.10 120.64 117.10 1wua n GLU 100 Ca 0.01 -1.75 -0.18 0.00 -0.02 0.00 0.00 57.16 55.22 1wua n GLU 100 Cb 0.05 -1.40 -0.17 0.00 -0.02 0.00 0.00 31.44 29.91 1wua n GLU 100 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1wua s HIS 101 N -1.69 0.29 0.33 -0.32 3.76 -0.90 -4.79 115.29 111.97 1wua s HIS 101 Ca 0.25 0.04 -0.29 0.00 -0.15 0.00 0.00 55.06 54.91 1wua s HIS 101 Cb 0.17 -0.46 -0.12 0.00 1.11 0.00 0.00 32.58 33.28 1wua s HIS 101 CO 0.26 -0.16 1.41 -2.30 -0.85 0.00 0.00 174.74 173.09 1wua n PRO 102 N 4.49 2.35 -4.03 8.40 -0.02 -1.26 -4.32 135.00 140.61 1wua n PRO 102 Ca -0.20 0.83 -0.28 0.00 -2.02 0.00 0.00 63.50 61.83 1wua n PRO 102 Cb 0.50 -2.49 -0.17 0.00 -0.02 0.00 0.00 33.50 31.32 1wua n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1wua s THR 103 N -0.79 1.23 -0.25 3.45 2.01 -0.55 -0.69 115.64 120.06 1wua s THR 103 Ca 0.58 -0.43 -0.13 0.00 0.31 0.00 0.00 61.69 62.02 1wua s THR 103 Cb -0.54 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1wua s THR 103 CO 0.59 0.40 0.29 -0.22 -0.69 0.00 0.00 174.62 174.99 1wua s LEU 104 N 1.52 4.08 0.17 4.42 2.96 0.18 -2.20 118.68 129.80 1wua s LEU 104 Ca 0.03 0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.24 1wua s LEU 104 Cb -0.13 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.21 1wua s LEU 104 CO -0.08 -0.07 0.07 -0.76 -1.32 0.00 0.00 176.35 174.19 1wua s LEU 105 N 1.59 3.57 0.22 -0.68 1.43 -0.01 -0.78 118.68 124.02 1wua s LEU 105 Ca 0.13 -0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.04 1wua s LEU 105 Cb -0.15 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1wua s LEU 105 CO 0.08 0.08 0.11 0.42 0.23 0.00 0.00 176.35 177.27 1wua s THR 106 N -1.74 4.15 0.05 5.49 -4.23 -0.86 -1.18 115.64 117.33 1wua s THR 106 Ca 0.29 -1.41 -0.01 0.00 -1.18 0.00 0.00 61.69 59.38 1wua s THR 106 Cb -0.10 -3.18 -0.04 0.00 1.34 0.00 0.00 72.50 70.52 1wua s THR 106 CO 0.21 -0.25 -0.03 -1.83 -0.54 0.00 0.00 174.62 172.18 1wua s GLU 107 N -3.46 0.59 0.63 3.99 -1.05 -0.09 -4.46 118.70 114.84 1wua s GLU 107 Ca 0.31 -1.15 -0.16 0.00 -0.15 0.00 0.00 54.97 53.83 1wua s GLU 107 Cb -0.08 0.14 -0.02 0.00 -0.44 0.00 0.00 34.13 33.73 1wua s GLU 107 CO 0.22 -0.09 1.09 0.00 0.95 0.00 0.00 175.26 177.44 1wua s ALA 108 N -3.54 2.59 0.52 -0.84 0.00 -1.26 -1.00 121.76 118.24 1wua s ALA 108 Ca 0.04 0.50 -0.21 0.00 0.00 0.00 0.00 51.96 52.30 1wua s ALA 108 Cb 0.05 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 1wua s ALA 108 CO -0.08 -1.06 1.00 -2.30 0.00 0.00 0.00 175.76 173.32 1wua n PRO 109 N -2.19 1.15 -2.76 0.00 -0.02 -1.26 -2.58 135.00 127.34 1wua n PRO 109 Ca 0.10 0.43 -0.21 0.00 -2.02 0.00 0.00 63.50 61.80 1wua n PRO 109 Cb 0.52 -2.15 0.01 0.00 -0.02 0.00 0.00 33.50 31.87 1wua n PRO 109 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1wua n LEU 110 N -0.23 -2.12 -4.71 2.45 4.77 -1.26 -4.96 117.00 110.94 1wua n LEU 110 Ca 0.11 -0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.53 1wua n LEU 110 Cb 0.44 -2.79 -0.03 0.00 -2.33 0.00 0.00 43.42 38.71 1wua n LEU 110 CO 0.53 0.02 1.09 0.21 -1.33 0.00 0.00 177.39 177.90 1wua s ASN 111 N -2.39 6.82 0.48 -1.43 2.47 -1.06 -4.96 114.94 114.87 1wua s ASN 111 Ca 0.17 2.28 -0.24 0.00 0.42 0.00 0.00 52.86 55.49 1wua s ASN 111 Cb -0.08 -2.58 -0.08 0.00 -1.45 0.00 0.00 41.25 37.07 1wua s ASN 111 CO 0.21 -0.68 1.26 -2.65 -3.72 0.00 0.00 177.10 171.51 1wua n PRO 112 N 4.38 1.74 -0.30 0.43 -0.02 -1.26 -4.84 135.00 135.13 1wua n PRO 112 Ca 0.12 0.63 0.10 0.00 -2.02 0.00 0.00 63.50 62.33 1wua n PRO 112 Cb 0.43 -2.41 0.26 0.00 -0.02 0.00 0.00 33.50 31.76 1wua n PRO 112 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1wua h LYS 113 N 1.71 0.52 0.00 -0.52 1.57 -2.00 -0.99 116.57 116.86 1wua h LYS 113 Ca -0.49 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.21 1wua h LYS 113 Cb 1.31 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1wua h LYS 113 CO 0.58 0.35 -0.24 0.00 -0.57 0.00 0.00 179.45 179.56 1wua h ALA 114 N 1.62 1.57 -0.06 3.86 0.00 -1.99 -1.45 119.26 122.82 1wua h ALA 114 Ca 0.51 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1wua h ALA 114 Cb 0.84 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1wua h ALA 114 CO -0.43 0.31 -0.07 -0.97 0.00 0.00 0.00 179.25 178.08 1wua h ASN 115 N 0.00 0.16 -0.84 0.00 -1.24 -1.54 -0.99 115.58 111.13 1wua h ASN 115 Ca -0.00 -0.51 0.03 0.00 0.71 0.00 0.00 56.30 56.52 1wua h ASN 115 Cb 0.44 -0.05 -0.05 0.00 0.73 0.00 0.00 38.32 39.40 1wua h ASN 115 CO 0.03 0.64 0.56 -0.09 -1.29 0.00 0.00 177.43 177.28 1wua h ARG 116 N -0.31 1.05 -0.58 6.67 2.43 -1.19 -1.29 114.38 121.16 1wua h ARG 116 Ca 0.01 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 1wua h ARG 116 Cb 0.60 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1wua h ARG 116 CO 0.02 0.69 0.06 0.93 -1.51 0.00 0.00 179.97 180.16 1wua h GLU 117 N 1.08 0.96 -0.44 0.20 5.08 -1.17 -1.76 114.58 118.53 1wua h GLU 117 Ca 0.33 -0.25 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1wua h GLU 117 Cb -0.03 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1wua h GLU 117 CO -0.09 0.91 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.47 1wua h LYS 118 N 0.90 0.88 -0.80 2.33 1.63 -0.49 -0.29 116.57 120.73 1wua h LYS 118 Ca 0.18 -0.35 0.05 0.00 -0.85 0.00 0.00 60.65 59.68 1wua h LYS 118 Cb 0.44 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.97 1wua h LYS 118 CO 0.02 1.00 0.49 1.98 -3.45 0.00 0.00 179.45 179.48 1wua h MET 119 N 0.71 0.88 -0.34 1.90 4.05 -1.12 -1.01 114.93 120.00 1wua h MET 119 Ca 0.11 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.44 1wua h MET 119 Cb 0.69 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 1wua h MET 119 CO 0.05 0.58 0.10 1.15 0.23 0.00 0.00 176.91 179.02 1wua h THR 120 N 0.91 1.21 -0.74 -0.77 2.02 -1.00 -1.72 112.91 112.82 1wua h THR 120 Ca 0.34 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1wua h THR 120 Cb 0.13 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1wua h THR 120 CO -0.16 0.24 0.47 -0.61 0.37 0.00 0.00 175.52 175.84 1wua h GLN 121 N 0.40 0.99 -0.30 6.66 -0.00 -0.71 -1.93 115.11 120.22 1wua h GLN 121 Ca 0.11 -0.07 -0.05 0.00 -0.00 0.00 0.00 58.65 58.64 1wua h GLN 121 Cb 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 27.48 27.52 1wua h GLN 121 CO -0.00 0.67 -0.00 0.82 0.00 0.00 0.00 178.83 180.32 1wua h ILE 122 N 1.01 1.26 -0.63 2.39 2.04 -1.09 0.17 117.51 122.66 1wua h ILE 122 Ca 0.27 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 65.22 1wua h ILE 122 Cb -0.08 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1wua h ILE 122 CO -0.06 0.30 0.38 0.24 0.00 0.00 0.00 178.15 179.01 1wua h MET 123 N 0.31 0.71 0.15 2.37 2.86 -1.06 0.33 114.93 120.60 1wua h MET 123 Ca 0.08 -0.04 -0.22 0.00 -2.06 0.00 0.00 59.70 57.47 1wua h MET 123 Cb 0.44 -0.16 0.02 0.00 0.06 0.00 0.00 31.60 31.96 1wua h MET 123 CO 0.02 0.47 -0.97 0.74 1.06 0.00 0.00 176.91 178.23 1wua h PHE 124 N 0.73 0.59 0.12 -0.22 0.04 -1.29 -1.19 116.94 115.72 1wua h PHE 124 Ca 0.26 -0.43 -0.32 0.00 2.80 0.00 0.00 57.97 60.27 1wua h PHE 124 Cb 0.06 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1wua h PHE 124 CO -0.06 1.37 -1.67 0.93 -0.60 0.00 0.00 178.31 178.28 1wua h GLU 125 N -0.30 0.26 0.00 1.51 5.08 -0.66 -2.69 114.58 117.79 1wua h GLU 125 Ca -0.18 -0.45 -0.12 0.00 -1.00 0.00 0.00 59.36 57.62 1wua h GLU 125 Cb 1.72 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 31.12 1wua h GLU 125 CO 0.16 1.12 -0.67 1.15 -1.00 0.00 0.00 179.01 179.76 1wua h THR 126 N 0.07 1.07 0.00 1.13 2.02 -1.07 -3.40 112.91 112.73 1wua h THR 126 Ca -0.30 -2.05 0.00 0.00 0.77 0.00 0.00 66.41 64.83 1wua h THR 126 Cb 2.04 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 70.72 1wua h THR 126 CO 0.15 0.36 -0.94 0.49 0.37 0.00 0.00 175.52 175.95 1wua n PHE 127 N -4.53 0.07 -3.85 3.16 3.01 -0.87 -4.98 117.46 109.46 1wua n PHE 127 Ca -0.20 0.02 -0.29 0.00 1.01 0.00 0.00 57.45 57.99 1wua n PHE 127 Cb 0.53 -0.21 0.04 0.00 -0.01 0.00 0.00 39.48 39.83 1wua n PHE 127 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1wua n ASN 128 N -1.67 -5.16 -4.75 4.37 4.05 -0.51 -3.44 115.26 108.15 1wua n ASN 128 Ca 0.03 -0.73 -0.38 0.00 0.45 0.00 0.00 54.58 53.95 1wua n ASN 128 Cb 0.37 -4.12 0.04 0.00 1.23 0.00 0.00 39.78 37.30 1wua n ASN 128 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1wua s VAL 129 N -3.30 2.22 0.15 3.44 -7.23 -0.83 -4.01 120.40 110.83 1wua s VAL 129 Ca 0.65 0.16 0.21 0.00 -1.81 0.00 0.00 61.98 61.19 1wua s VAL 129 Cb -0.32 -3.08 0.18 0.00 0.56 0.00 0.00 36.38 33.72 1wua s VAL 129 CO 0.81 -0.01 1.77 1.55 -0.31 0.00 0.00 175.10 178.92 1wua h PRO 130 N 1.40 0.00 -2.31 4.82 0.13 -1.75 -3.42 132.00 130.86 1wua h PRO 130 Ca -0.51 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.67 1wua h PRO 130 Cb 1.30 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.27 1wua h PRO 130 CO 0.57 0.31 0.39 0.00 -0.23 0.00 0.00 178.00 179.04 1wua s ALA 131 N -3.63 -1.78 0.29 -0.56 0.00 -1.26 -1.25 121.76 113.57 1wua s ALA 131 Ca 0.00 1.01 -0.20 0.00 0.00 0.00 0.00 51.96 52.77 1wua s ALA 131 Cb 0.11 0.31 0.03 0.00 0.00 0.00 0.00 23.12 23.57 1wua s ALA 131 CO 0.67 -0.61 0.76 0.00 0.00 0.00 0.00 175.76 176.57 1wua s MET 132 N -2.73 1.81 -0.04 0.00 0.23 -0.19 -1.48 119.30 116.90 1wua s MET 132 Ca 0.01 -1.04 -0.28 0.00 -1.03 0.00 0.00 55.69 53.35 1wua s MET 132 Cb -0.01 0.59 0.06 0.00 -1.53 0.00 0.00 34.83 33.94 1wua s MET 132 CO -0.06 -0.83 0.60 -0.47 -2.03 0.00 0.00 175.02 172.23 1wua s TYR 133 N -3.54 -0.56 -0.15 3.16 6.14 -0.94 -0.71 117.35 120.75 1wua s TYR 133 Ca 0.12 0.95 0.01 0.00 0.64 0.00 0.00 57.07 58.79 1wua s TYR 133 Cb -0.05 0.35 0.02 0.00 0.42 0.00 0.00 41.96 42.69 1wua s TYR 133 CO 0.07 -0.57 -0.18 0.08 0.64 0.00 0.00 175.55 175.60 1wua s VAL 134 N -1.24 1.82 0.14 3.14 1.01 -1.26 -0.83 120.40 123.19 1wua s VAL 134 Ca -0.11 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.14 1wua s VAL 134 Cb -0.01 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1wua s VAL 134 CO 0.09 0.50 -0.14 0.00 0.00 0.00 0.00 175.10 175.55 1wua s ALA 135 N 1.16 2.82 0.04 5.51 0.00 -0.33 -4.95 121.76 126.01 1wua s ALA 135 Ca -0.00 -1.39 -0.30 0.00 0.00 0.00 0.00 51.96 50.27 1wua s ALA 135 Cb -0.14 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1wua s ALA 135 CO -0.07 0.55 1.05 0.42 0.00 0.00 0.00 175.76 177.71 1wua s ILE 136 N -1.38 4.53 0.14 0.00 -1.09 -1.26 -0.91 121.20 121.23 1wua s ILE 136 Ca 0.21 1.86 -0.24 0.00 -2.23 0.00 0.00 60.65 60.25 1wua s ILE 136 Cb -0.10 -4.19 -0.00 0.00 -1.58 0.00 0.00 42.46 36.59 1wua s ILE 136 CO 0.13 0.17 1.63 1.56 -1.23 0.00 0.00 174.94 177.19 1wua h GLN 137 N 6.60 -0.30 -0.29 2.79 4.20 -1.39 -2.01 115.11 124.71 1wua h GLN 137 Ca -0.42 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.29 1wua h GLN 137 Cb 1.22 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.05 1wua h GLN 137 CO 0.76 -0.20 0.09 0.00 -0.67 0.00 0.00 178.83 178.81 1wua h ALA 138 N 0.63 1.62 -0.47 3.87 0.00 -1.93 -1.71 119.26 121.27 1wua h ALA 138 Ca 0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1wua h ALA 138 Cb 0.48 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1wua h ALA 138 CO -0.34 0.30 0.14 0.28 0.00 0.00 0.00 179.25 179.62 1wua h VAL 139 N 0.40 1.23 -0.95 0.00 2.07 -1.76 -1.88 116.25 115.37 1wua h VAL 139 Ca 0.10 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1wua h VAL 139 Cb 0.13 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1wua h VAL 139 CO -0.01 0.28 0.57 -0.07 0.02 0.00 0.00 177.57 178.36 1wua h LEU 140 N 0.63 1.14 -0.99 2.57 3.38 -0.89 -1.91 115.31 119.24 1wua h LEU 140 Ca 0.15 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1wua h LEU 140 Cb 0.28 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1wua h LEU 140 CO -0.00 0.87 0.29 0.28 0.09 0.00 0.00 178.44 179.97 1wua h SER 141 N 1.31 0.93 -0.41 -0.43 0.02 -0.96 -1.05 113.55 112.95 1wua h SER 141 Ca 0.34 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1wua h SER 141 Cb -0.06 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 1wua h SER 141 CO -0.06 0.82 0.27 0.25 -1.14 0.00 0.00 176.83 176.97 1wua h LEU 142 N 1.00 0.47 -1.08 5.07 5.85 -0.71 -2.57 115.31 123.34 1wua h LEU 142 Ca 0.24 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1wua h LEU 142 Cb 0.17 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1wua h LEU 142 CO -0.02 0.35 0.56 1.88 -0.34 0.00 0.00 178.44 180.86 1wua h TYR 143 N 0.56 1.14 0.00 1.25 0.99 -0.73 -0.97 116.97 119.20 1wua h TYR 143 Ca 0.15 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.89 1wua h TYR 143 Cb -0.06 -0.38 -0.00 0.00 1.00 0.00 0.00 36.73 37.29 1wua h TYR 143 CO -0.05 0.74 -0.01 0.00 -0.00 0.00 0.00 178.16 178.84 1wua h ALA 144 N 1.41 1.04 -0.01 3.88 0.00 -0.84 -0.60 119.26 124.14 1wua h ALA 144 Ca 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1wua h ALA 144 Cb -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1wua h ALA 144 CO -0.06 0.01 -0.03 -1.13 0.00 0.00 0.00 179.25 178.04 1wua n SER 145 N -3.15 1.21 0.00 0.00 3.41 -0.38 -4.94 113.62 109.76 1wua n SER 145 Ca -0.02 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 1wua n SER 145 Cb 0.16 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1wua n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wua n GLY 146 N 1.17 0.59 3.12 5.00 0.00 -0.23 -5.06 105.19 109.79 1wua n GLY 146 Ca 0.19 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 1wua n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wua s ARG 147 N -3.05 0.70 0.00 1.61 0.52 -1.15 -5.04 118.95 112.53 1wua s ARG 147 Ca 0.00 -0.94 0.03 0.00 -0.52 0.00 0.00 55.73 54.30 1wua s ARG 147 Cb 0.00 -0.49 -0.00 0.00 0.52 0.00 0.00 34.95 34.98 1wua s ARG 147 CO 0.00 0.09 0.39 0.25 0.02 0.00 0.00 175.30 176.04 1wua n THR 148 N 1.12 0.00 -4.72 0.02 -2.24 -1.26 -3.53 114.28 103.67 1wua n THR 148 Ca -0.20 -0.47 -0.26 0.00 -2.27 0.00 0.00 64.05 60.85 1wua n THR 148 Cb 0.56 1.04 -0.16 0.00 -2.10 0.00 0.00 70.33 69.66 1wua n THR 148 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1wua s THR 149 N -0.74 1.31 0.00 4.28 2.01 -1.26 -0.35 115.64 120.88 1wua s THR 149 Ca 0.03 -0.60 0.00 0.00 0.31 0.00 0.00 61.69 61.43 1wua s THR 149 Cb 0.03 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.37 1wua s THR 149 CO 0.08 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 1wua n GLY 150 N 3.59 -0.89 3.06 4.40 0.00 -0.52 -4.91 105.19 109.93 1wua n GLY 150 Ca -0.21 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 1wua n GLY 150 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wua s ILE 151 N -2.00 1.67 -0.11 -0.61 2.07 -0.46 -0.46 121.20 121.31 1wua s ILE 151 Ca 0.00 -0.72 -0.13 0.00 -1.41 0.00 0.00 60.65 58.39 1wua s ILE 151 Cb 0.00 -1.54 -0.05 0.00 0.13 0.00 0.00 42.46 41.01 1wua s ILE 151 CO 0.00 0.48 0.31 -0.69 -1.91 0.00 0.00 174.94 173.12 1wua s VAL 152 N 1.20 5.26 -0.40 4.00 1.01 -0.44 -0.91 120.40 130.13 1wua s VAL 152 Ca -0.01 0.59 -0.12 0.00 0.00 0.00 0.00 61.98 62.45 1wua s VAL 152 Cb -0.14 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.66 1wua s VAL 152 CO -0.07 0.47 0.25 -0.22 0.00 0.00 0.00 175.10 175.53 1wua s LEU 153 N -0.16 4.96 -0.25 3.92 2.96 -0.06 -0.67 118.68 129.39 1wua s LEU 153 Ca 0.19 -1.13 -0.05 0.00 -0.22 0.00 0.00 54.13 52.92 1wua s LEU 153 Cb -0.14 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.50 1wua s LEU 153 CO 0.07 -0.46 0.01 -0.62 -1.32 0.00 0.00 176.35 174.03 1wua s ASP 154 N 1.80 4.66 -0.15 3.68 3.68 -0.33 -0.57 116.67 129.45 1wua s ASP 154 Ca 0.03 -0.55 -0.01 0.00 2.13 0.00 0.00 52.55 54.14 1wua s ASP 154 Cb -0.21 -1.79 0.04 0.00 -1.45 0.00 0.00 42.92 39.51 1wua s ASP 154 CO 0.06 -0.09 -0.02 -0.55 0.13 0.00 0.00 175.17 174.70 1wua s SER 155 N 1.48 2.50 0.00 -0.34 0.15 -0.27 -1.02 113.70 116.20 1wua s SER 155 Ca 0.04 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1wua s SER 155 Cb -0.16 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.43 1wua s SER 155 CO -0.01 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1wua n GLY 156 N 4.99 2.66 0.10 9.45 0.00 -0.99 -1.52 105.19 119.87 1wua n GLY 156 Ca -0.10 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 1wua n GLY 156 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wua n ASP 157 N 0.00 0.92 -0.04 1.61 2.03 -1.26 -0.75 116.55 119.06 1wua n ASP 157 Ca 0.00 0.27 -0.04 0.00 0.52 0.00 0.00 54.79 55.54 1wua n ASP 157 Cb 0.00 0.04 -0.07 0.00 -0.72 0.00 0.00 41.12 40.37 1wua n ASP 157 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wua n GLY 158 N 1.70 -0.44 3.33 0.27 0.00 -1.26 -0.88 105.19 107.91 1wua n GLY 158 Ca -0.24 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 1wua n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wua s VAL 159 N -2.25 0.06 -0.05 1.61 0.11 -1.26 -4.51 120.40 114.10 1wua s VAL 159 Ca -0.04 -0.46 0.05 0.00 -2.93 0.00 0.00 61.98 58.61 1wua s VAL 159 Cb 0.03 -0.98 -0.01 0.00 -1.53 0.00 0.00 36.38 33.89 1wua s VAL 159 CO 0.37 -0.25 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.78 1wua s THR 160 N -2.66 1.73 0.05 5.04 2.01 -0.85 -2.35 115.64 118.61 1wua s THR 160 Ca -0.04 -0.89 0.04 0.00 0.31 0.00 0.00 61.69 61.11 1wua s THR 160 Cb -0.00 -1.47 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 1wua s THR 160 CO -0.04 0.49 -0.12 -1.00 -0.69 0.00 0.00 174.62 173.26 1wua s HIS 161 N -0.12 1.03 -0.24 4.92 3.76 -0.19 -0.58 115.29 123.87 1wua s HIS 161 Ca -0.02 -0.41 -0.09 0.00 -0.15 0.00 0.00 55.06 54.39 1wua s HIS 161 Cb -0.12 -0.60 -0.04 0.00 1.11 0.00 0.00 32.58 32.93 1wua s HIS 161 CO 0.02 0.01 0.11 -0.80 -0.85 0.00 0.00 174.74 173.23 1wua s ASN 162 N -1.41 5.56 -0.29 1.40 -0.87 -0.09 -1.18 114.94 118.06 1wua s ASN 162 Ca -0.03 -0.07 -0.00 0.00 -1.57 0.00 0.00 52.86 51.19 1wua s ASN 162 Cb -0.09 -2.00 0.09 0.00 -0.02 0.00 0.00 41.25 39.23 1wua s ASN 162 CO 0.01 0.01 0.06 -0.69 -2.57 0.00 0.00 177.10 173.92 1wua s VAL 163 N 1.37 1.15 0.22 1.60 1.01 0.16 -1.47 120.40 124.44 1wua s VAL 163 Ca 0.06 -1.41 -0.30 0.00 0.00 0.00 0.00 61.98 60.33 1wua s VAL 163 Cb -0.15 -1.76 -0.09 0.00 0.00 0.00 0.00 36.38 34.38 1wua s VAL 163 CO 0.05 -0.51 0.95 -2.16 0.00 0.00 0.00 175.10 173.43 1wua s PRO 164 N 1.50 4.82 -0.04 2.72 0.04 -1.26 -1.33 135.00 141.46 1wua s PRO 164 Ca 0.06 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.60 1wua s PRO 164 Cb -0.18 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.10 1wua s PRO 164 CO -0.17 0.46 -0.02 0.42 0.04 0.00 0.00 177.00 177.73 1wua s ILE 165 N -0.99 0.32 -0.08 0.56 1.01 0.40 -1.25 121.20 121.17 1wua s ILE 165 Ca 0.42 0.00 0.02 0.00 0.00 0.00 0.00 60.65 61.09 1wua s ILE 165 Cb -0.26 -0.39 0.02 0.00 0.01 0.00 0.00 42.46 41.84 1wua s ILE 165 CO 0.32 0.18 -0.11 -0.47 0.00 0.00 0.00 174.94 174.85 1wua s TYR 166 N 0.99 1.49 -1.54 3.97 6.14 -0.33 -1.43 117.35 126.64 1wua s TYR 166 Ca -0.10 -0.60 -0.05 0.00 0.64 0.00 0.00 57.07 56.95 1wua s TYR 166 Cb -0.14 -1.12 0.05 0.00 0.42 0.00 0.00 41.96 41.16 1wua s TYR 166 CO -0.01 -0.34 0.35 0.39 0.64 0.00 0.00 175.55 176.58 1wua n GLU 167 N 4.08 -2.26 -0.10 4.97 -0.58 -1.11 -2.08 120.64 123.56 1wua n GLU 167 Ca -0.21 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1wua n GLU 167 Cb 0.51 -4.31 0.00 0.00 -0.57 0.00 0.00 31.44 27.07 1wua n GLU 167 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wua n GLY 168 N -2.02 1.15 3.19 0.62 0.00 0.52 -5.02 105.19 103.63 1wua n GLY 168 Ca -0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 1wua n GLY 168 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wua s TYR 169 N -2.52 1.97 0.61 1.61 1.51 -0.88 -5.07 117.35 114.57 1wua s TYR 169 Ca 0.00 -0.54 -0.19 0.00 -1.01 0.00 0.00 57.07 55.33 1wua s TYR 169 Cb 0.00 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.52 1wua s TYR 169 CO 0.00 -0.16 1.25 0.00 -1.11 0.00 0.00 175.55 175.53 1wua n ALA 170 N 2.97 1.08 -3.48 3.71 0.00 -1.26 -1.18 120.51 122.35 1wua n ALA 170 Ca -0.17 0.04 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 1wua n ALA 170 Cb 0.53 -2.29 -0.05 0.00 0.00 0.00 0.00 19.45 17.63 1wua n ALA 170 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wua s LEU 171 N -3.64 6.15 0.48 0.00 1.43 -0.38 -4.87 118.68 117.85 1wua s LEU 171 Ca 0.78 -2.69 0.13 0.00 -1.03 0.00 0.00 54.13 51.33 1wua s LEU 171 Cb -0.40 -2.07 1.11 0.00 0.03 0.00 0.00 46.19 44.86 1wua s LEU 171 CO 0.44 -0.51 2.11 1.55 0.23 0.00 0.00 176.35 180.17 1wua h PRO 172 N 7.58 0.21 0.00 1.29 0.13 -1.93 -1.46 132.00 137.81 1wua h PRO 172 Ca 0.03 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1wua h PRO 172 Cb 1.01 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1wua h PRO 172 CO 0.75 0.14 0.00 1.12 -0.23 0.00 0.00 178.00 179.79 1wua h HIS 173 N 0.22 0.00 -0.09 1.56 2.07 -1.98 -2.79 115.15 114.13 1wua h HIS 173 Ca 0.07 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.59 1wua h HIS 173 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1wua h HIS 173 CO -0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1wua n ALA 174 N -2.00 2.43 -1.90 6.11 0.00 -0.56 -4.98 120.51 119.61 1wua n ALA 174 Ca -0.01 -0.72 -0.41 0.00 0.00 0.00 0.00 53.44 52.30 1wua n ALA 174 Cb 0.16 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 1wua n ALA 174 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1wua s ILE 175 N -1.13 3.03 0.15 0.00 1.01 -1.05 -4.55 121.20 118.66 1wua s ILE 175 Ca 0.19 0.91 0.09 0.00 0.00 0.00 0.00 60.65 61.84 1wua s ILE 175 Cb 0.12 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 1wua s ILE 175 CO 0.18 0.17 -0.17 -0.04 0.00 0.00 0.00 174.94 175.08 1wua s MET 176 N -0.72 1.81 -0.04 2.79 -1.94 -0.54 -4.98 119.30 115.67 1wua s MET 176 Ca 0.54 -1.28 0.03 0.00 -1.71 0.00 0.00 55.69 53.27 1wua s MET 176 Cb -0.38 -2.07 0.00 0.00 2.01 0.00 0.00 34.83 34.40 1wua s MET 176 CO 0.43 0.45 -0.13 0.50 -0.01 0.00 0.00 175.02 176.26 1wua s ARG 177 N -2.46 1.49 -0.18 2.03 3.52 -1.26 -0.91 118.95 121.17 1wua s ARG 177 Ca 0.21 -0.46 -0.00 0.00 -0.13 0.00 0.00 55.73 55.34 1wua s ARG 177 Cb -0.09 -1.30 0.01 0.00 -1.56 0.00 0.00 34.95 32.00 1wua s ARG 177 CO 0.12 0.15 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.44 1wua s LEU 178 N 0.24 2.41 -0.06 -0.88 2.96 0.26 -5.00 118.68 118.61 1wua s LEU 178 Ca -0.06 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.28 1wua s LEU 178 Cb -0.12 -1.57 -0.11 0.00 0.50 0.00 0.00 46.19 44.90 1wua s LEU 178 CO 0.02 0.02 2.82 0.47 -1.32 0.00 0.00 176.35 178.37 1wua n ASP 179 N 4.48 5.47 -3.71 3.68 8.00 -1.26 -2.01 116.55 131.19 1wua n ASP 179 Ca -0.20 -2.55 -0.14 0.00 0.71 0.00 0.00 54.79 52.62 1wua n ASP 179 Cb 0.51 -1.27 -0.09 0.00 -0.02 0.00 0.00 41.12 40.25 1wua n ASP 179 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1wua s LEU 180 N -0.30 0.24 0.00 0.64 0.05 -1.26 -5.02 118.68 113.03 1wua s LEU 180 Ca 0.38 0.82 0.00 0.00 0.05 0.00 0.00 54.13 55.38 1wua s LEU 180 Cb 0.20 1.62 0.00 0.00 -2.05 0.00 0.00 46.19 45.96 1wua s LEU 180 CO -0.02 -0.23 0.00 0.00 -0.55 0.00 0.00 176.35 175.56 1wua n ALA 181 N 2.51 0.00 -0.37 1.48 0.00 -1.26 -3.84 120.51 119.03 1wua n ALA 181 Ca -0.15 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.30 1wua n ALA 181 Cb 0.57 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.16 1wua n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1wua h GLY 182 N 0.00 1.46 1.08 0.00 0.00 -0.82 -2.06 103.07 102.72 1wua h GLY 182 Ca 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 1wua h GLY 182 CO 0.00 0.40 0.26 -0.09 0.00 0.00 0.00 176.54 177.10 1wua h ARG 183 N 1.22 1.16 -0.46 4.80 2.43 -1.26 -0.50 114.38 121.76 1wua h ARG 183 Ca 0.40 -0.24 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 1wua h ARG 183 Cb 0.04 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1wua h ARG 183 CO -0.14 0.97 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.83 1wua h ASP 184 N 1.12 0.75 -0.44 -3.80 5.19 -1.61 -0.15 116.42 117.47 1wua h ASP 184 Ca 0.25 -0.19 -0.14 0.00 -0.62 0.00 0.00 57.03 56.33 1wua h ASP 184 Cb 0.28 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 1wua h ASP 184 CO -0.01 0.83 -0.25 -0.07 -3.12 0.00 0.00 179.24 176.62 1wua h LEU 185 N 0.72 0.99 -0.31 1.55 3.38 -0.87 -0.47 115.31 120.31 1wua h LEU 185 Ca 0.14 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1wua h LEU 185 Cb 0.47 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1wua h LEU 185 CO 0.02 1.18 0.18 0.74 0.09 0.00 0.00 178.44 180.65 1wua h THR 186 N 0.82 1.12 -0.94 0.22 2.02 -0.85 -1.13 112.91 114.18 1wua h THR 186 Ca 0.10 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 67.01 1wua h THR 186 Cb 0.83 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 1wua h THR 186 CO 0.07 0.12 0.62 0.44 0.37 0.00 0.00 175.52 177.14 1wua h ASP 187 N 0.39 1.07 -0.33 4.18 3.32 -0.84 0.05 116.42 124.25 1wua h ASP 187 Ca 0.11 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 1wua h ASP 187 Cb 0.03 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1wua h ASP 187 CO -0.02 0.76 -0.13 0.22 -1.72 0.00 0.00 179.24 178.36 1wua h TYR 188 N 1.26 0.77 -0.76 4.55 3.20 -0.79 -1.37 116.97 123.82 1wua h TYR 188 Ca 0.35 -0.18 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1wua h TYR 188 Cb -0.12 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 37.94 1wua h TYR 188 CO -0.00 0.87 0.35 1.25 -1.64 0.00 0.00 178.16 178.99 1wua h LEU 189 N 0.45 1.00 -0.54 2.82 5.85 -0.86 -0.84 115.31 123.19 1wua h LEU 189 Ca 0.08 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.74 1wua h LEU 189 Cb 0.65 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 1wua h LEU 189 CO 0.04 0.86 0.23 0.24 -0.34 0.00 0.00 178.44 179.47 1wua h MET 190 N 1.09 0.43 -0.23 1.25 2.86 -0.74 -0.77 114.93 118.81 1wua h MET 190 Ca 0.26 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.87 1wua h MET 190 Cb 0.13 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1wua h MET 190 CO -0.03 0.29 0.11 -0.22 1.06 0.00 0.00 176.91 178.11 1wua h LYS 191 N 0.44 0.34 -0.44 1.72 3.64 -0.59 0.29 116.57 121.97 1wua h LYS 191 Ca 0.26 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1wua h LYS 191 Cb 0.24 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1wua h LYS 191 CO -0.23 0.36 0.26 0.82 -2.27 0.00 0.00 179.45 178.39 1wua h ILE 192 N 0.24 1.14 -0.06 2.00 2.04 -0.92 -1.23 117.51 120.71 1wua h ILE 192 Ca 0.08 -0.32 -0.17 0.00 1.00 0.00 0.00 64.86 65.45 1wua h ILE 192 Cb 0.14 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1wua h ILE 192 CO -0.01 0.14 -0.68 -0.07 0.00 0.00 0.00 178.15 177.53 1wua h LEU 193 N 0.58 0.35 -0.56 1.44 3.38 -1.00 -2.89 115.31 116.61 1wua h LEU 193 Ca 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1wua h LEU 193 Cb 0.00 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1wua h LEU 193 CO -0.03 0.93 0.31 0.74 0.09 0.00 0.00 178.44 180.47 1wua h THR 194 N 0.21 1.18 -0.30 0.22 2.02 -0.71 -2.24 112.91 113.29 1wua h THR 194 Ca -0.02 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.66 1wua h THR 194 Cb 1.23 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 1wua h THR 194 CO 0.11 0.20 0.02 -0.33 0.37 0.00 0.00 175.52 175.89 1wua h GLU 195 N 0.75 0.44 0.00 6.66 5.08 -1.14 -1.42 114.58 124.95 1wua h GLU 195 Ca 0.20 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1wua h GLU 195 Cb 0.04 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1wua h GLU 195 CO -0.03 0.46 0.00 0.54 -1.00 0.00 0.00 179.01 178.97 1wua n ARG 196 N -4.33 0.76 0.00 2.33 1.74 -0.95 -4.86 116.66 111.35 1wua n ARG 196 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1wua n ARG 196 Cb 0.21 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1wua n ARG 196 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wua n GLY 197 N 0.45 0.65 3.24 -0.13 0.00 -0.53 -5.06 105.19 103.81 1wua n GLY 197 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1wua n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wua s TYR 198 N -2.00 3.40 -0.30 1.61 1.51 -0.88 -5.01 117.35 115.68 1wua s TYR 198 Ca 0.00 -1.78 -0.29 0.00 -1.01 0.00 0.00 57.07 54.00 1wua s TYR 198 Cb 0.00 -3.58 -0.02 0.00 -0.11 0.00 0.00 41.96 38.25 1wua s TYR 198 CO 0.00 -0.99 1.78 0.45 -1.11 0.00 0.00 175.55 175.67 1wua s SER 199 N 2.78 5.98 -0.25 2.29 0.15 -1.26 -2.77 113.70 120.62 1wua s SER 199 Ca 0.06 1.40 0.02 0.00 0.70 0.00 0.00 55.95 58.14 1wua s SER 199 Cb -0.26 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 61.58 1wua s SER 199 CO -0.00 -1.62 -0.10 -0.36 1.20 0.00 0.00 173.24 172.36 1wua s PHE 200 N 6.55 3.00 0.00 3.44 0.40 -1.26 -4.93 117.98 125.19 1wua s PHE 200 Ca 0.79 -2.14 0.00 0.00 -0.60 0.00 0.00 56.93 54.98 1wua s PHE 200 Cb -0.24 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.47 1wua s PHE 200 CO 0.33 -0.85 0.00 1.33 0.70 0.00 0.00 175.22 176.74 1wua n VAL 201 N 4.51 0.00 -1.96 -0.44 0.24 -1.26 -4.78 118.33 114.64 1wua n VAL 201 Ca -0.14 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.87 1wua n VAL 201 Cb 0.43 0.00 0.18 0.00 -1.47 0.00 0.00 33.84 32.98 1wua n VAL 201 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1wua s THR 202 N -1.00 2.01 0.13 3.34 -4.23 -1.26 -4.85 115.64 109.78 1wua s THR 202 Ca 0.00 -0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 60.38 1wua s THR 202 Cb 0.00 -2.98 -0.10 0.00 1.34 0.00 0.00 72.50 70.77 1wua s THR 202 CO 0.00 0.00 1.40 0.74 -0.54 0.00 0.00 174.62 176.22 1wua h THR 203 N -1.59 1.28 -0.63 3.99 2.02 -2.00 0.06 112.91 116.04 1wua h THR 203 Ca -0.44 -1.80 -0.08 0.00 0.77 0.00 0.00 66.41 64.86 1wua h THR 203 Cb 1.24 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 69.35 1wua h THR 203 CO 0.38 0.58 0.07 0.00 0.37 0.00 0.00 175.52 176.92 1wua h ALA 204 N 0.71 0.94 -0.58 6.16 0.00 -2.00 -1.97 119.26 122.51 1wua h ALA 204 Ca -0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1wua h ALA 204 Cb 1.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1wua h ALA 204 CO 0.13 0.65 -0.02 0.93 0.00 0.00 0.00 179.25 180.95 1wua h GLU 205 N 0.98 1.04 -0.67 0.00 5.08 -1.93 -3.15 114.58 115.92 1wua h GLU 205 Ca 0.19 -0.34 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1wua h GLU 205 Cb 0.46 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1wua h GLU 205 CO 0.02 1.03 0.41 -0.09 -1.00 0.00 0.00 179.01 179.38 1wua h ARG 206 N 0.93 0.77 -0.48 2.33 2.43 -0.66 -2.06 114.38 117.64 1wua h ARG 206 Ca 0.16 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1wua h ARG 206 Cb 0.57 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1wua h ARG 206 CO 0.03 0.51 0.23 0.93 -1.51 0.00 0.00 179.97 180.16 1wua h GLU 207 N 0.80 0.66 -0.18 0.20 4.39 -1.33 0.64 114.58 119.76 1wua h GLU 207 Ca 0.28 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 1wua h GLU 207 Cb 0.05 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1wua h GLU 207 CO -0.12 0.52 0.03 0.82 -1.16 0.00 0.00 179.01 179.10 1wua h ILE 208 N 0.67 1.22 -0.78 3.13 2.04 -1.42 -1.79 117.51 120.59 1wua h ILE 208 Ca 0.17 -0.73 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 1wua h ILE 208 Cb 0.08 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1wua h ILE 208 CO -0.02 0.22 0.35 0.58 0.00 0.00 0.00 178.15 179.28 1wua h VAL 209 N 0.10 1.25 -0.81 1.67 2.07 -0.71 -0.09 116.25 119.73 1wua h VAL 209 Ca 0.06 -0.74 0.08 0.00 0.82 0.00 0.00 66.70 66.91 1wua h VAL 209 Cb 0.31 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 1wua h VAL 209 CO 0.00 0.31 0.47 -0.09 0.02 0.00 0.00 177.57 178.29 1wua h ARG 210 N 1.11 0.80 -0.36 1.57 2.43 -0.76 -0.30 114.38 118.87 1wua h ARG 210 Ca 0.26 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.32 1wua h ARG 210 Cb 0.16 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1wua h ARG 210 CO -0.03 0.53 -0.04 0.22 -1.51 0.00 0.00 179.97 179.15 1wua h ASP 211 N 0.83 0.66 -0.42 -3.80 -0.00 -0.45 -1.43 116.42 111.80 1wua h ASP 211 Ca 0.37 -0.33 0.06 0.00 -0.00 0.00 0.00 57.03 57.13 1wua h ASP 211 Cb 0.27 -0.18 -0.05 0.00 -0.00 0.00 0.00 39.33 39.37 1wua h ASP 211 CO -0.21 0.83 0.11 0.40 -0.00 0.00 0.00 179.24 180.37 1wua h ILE 212 N 0.47 0.81 -0.21 2.25 2.04 -0.58 -0.72 117.51 121.57 1wua h ILE 212 Ca 0.10 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.92 1wua h ILE 212 Cb 0.52 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 1wua h ILE 212 CO 0.03 0.05 -0.08 0.50 0.00 0.00 0.00 178.15 178.64 1wua h LYS 213 N 0.25 -0.05 -0.14 2.37 3.64 -0.84 -0.21 116.57 121.60 1wua h LYS 213 Ca 0.20 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 1wua h LYS 213 Cb 0.23 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1wua h LYS 213 CO -0.24 -0.03 -0.35 0.93 -2.27 0.00 0.00 179.45 177.48 1wua h GLU 214 N -0.05 0.28 0.06 1.90 5.08 -0.95 -2.29 114.58 118.60 1wua h GLU 214 Ca 0.11 -0.12 -0.29 0.00 -1.00 0.00 0.00 59.36 58.06 1wua h GLU 214 Cb 0.21 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1wua h GLU 214 CO -0.24 0.60 -1.58 0.87 -1.00 0.00 0.00 179.01 177.65 1wua h LYS 215 N 0.24 0.12 0.00 2.33 1.57 -0.90 -3.42 116.57 116.51 1wua h LYS 215 Ca 0.03 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1wua h LYS 215 Cb 0.73 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1wua h LYS 215 CO 0.06 0.87 -0.75 1.28 -0.57 0.00 0.00 179.45 180.33 1wua n LEU 216 N -3.28 0.01 -4.85 2.94 4.77 -0.11 -5.05 117.00 111.42 1wua n LEU 216 Ca -0.16 -0.14 -0.32 0.00 -0.03 0.00 0.00 56.01 55.36 1wua n LEU 216 Cb 1.03 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.10 1wua n LEU 216 CO 0.47 0.00 0.67 0.00 -1.33 0.00 0.00 177.39 177.20 1wua s TYR 218 N -2.76 -0.21 -0.24 0.00 -0.85 -0.50 -4.41 117.35 108.39 1wua s TYR 218 Ca 0.57 -0.11 -0.13 0.00 -0.52 0.00 0.00 57.07 56.88 1wua s TYR 218 Cb -0.10 0.42 -0.04 0.00 0.38 0.00 0.00 41.96 42.61 1wua s TYR 218 CO 0.37 -0.89 0.28 0.08 -1.52 0.00 0.00 175.55 173.88 1wua s VAL 219 N -3.84 5.27 0.40 -3.49 1.01 0.06 -3.87 120.40 115.93 1wua s VAL 219 Ca 0.07 0.42 -0.25 0.00 0.00 0.00 0.00 61.98 62.22 1wua s VAL 219 Cb -0.01 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.67 1wua s VAL 219 CO -0.06 0.27 1.20 0.00 0.00 0.00 0.00 175.10 176.52 1wua s ALA 220 N 1.38 3.18 0.11 5.51 0.00 -1.26 -4.44 121.76 126.24 1wua s ALA 220 Ca 0.13 1.03 -0.14 0.00 0.00 0.00 0.00 51.96 52.98 1wua s ALA 220 Cb -0.15 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.48 1wua s ALA 220 CO 0.07 -0.60 1.42 1.25 0.00 0.00 0.00 175.76 177.89 1wua h LEU 221 N 2.66 0.83 -7.31 0.00 5.85 -1.97 -3.41 115.31 111.96 1wua h LEU 221 Ca -0.49 -0.49 -0.53 0.00 0.84 0.00 0.00 57.88 57.21 1wua h LEU 221 Cb 1.24 -0.24 -0.40 0.00 0.37 0.00 0.00 40.66 41.64 1wua h LEU 221 CO 0.63 1.16 -0.77 -0.62 -0.34 0.00 0.00 178.44 178.49 1wua s ASP 222 N -6.68 3.06 0.13 1.25 -1.08 -1.26 -4.87 116.67 107.23 1wua s ASP 222 Ca -0.12 -0.89 -0.17 0.00 -0.52 0.00 0.00 52.55 50.85 1wua s ASP 222 Cb 0.09 -0.67 -0.02 0.00 -1.46 0.00 0.00 42.92 40.86 1wua s ASP 222 CO 0.85 -0.30 1.72 0.15 0.52 0.00 0.00 175.17 178.11 1wua h PHE 223 N 8.20 0.50 -0.58 -5.34 3.57 -2.00 -0.80 116.94 120.50 1wua h PHE 223 Ca -0.16 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.30 1wua h PHE 223 Cb 1.11 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 1wua h PHE 223 CO 0.31 0.42 0.30 0.93 -2.23 0.00 0.00 178.31 178.04 1wua h GLU 224 N 0.45 0.82 -0.76 1.11 5.08 -1.99 -0.21 114.58 119.08 1wua h GLU 224 Ca 0.12 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1wua h GLU 224 Cb 0.09 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1wua h GLU 224 CO -0.02 0.64 0.49 -0.91 -1.00 0.00 0.00 179.01 178.21 1wua h ASN 225 N 0.78 0.88 -0.47 1.42 -0.26 -1.94 -1.91 115.58 114.09 1wua h ASN 225 Ca 0.20 -0.04 -0.12 0.00 -0.56 0.00 0.00 56.30 55.78 1wua h ASN 225 Cb 0.08 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.10 1wua h ASN 225 CO -0.03 0.66 -0.16 -0.08 -1.06 0.00 0.00 177.43 176.75 1wua h GLU 226 N 1.03 0.97 -0.78 0.81 4.57 -0.75 -0.86 114.58 119.56 1wua h GLU 226 Ca 0.28 -0.38 0.05 0.00 -1.18 0.00 0.00 59.36 58.12 1wua h GLU 226 Cb -0.09 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.40 1wua h GLU 226 CO -0.06 1.05 0.49 0.52 -1.18 0.00 0.00 179.01 179.83 1wua h MET 227 N 0.85 0.89 -0.60 1.92 2.86 -0.84 -0.66 114.93 119.36 1wua h MET 227 Ca 0.12 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1wua h MET 227 Cb 0.72 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 1wua h MET 227 CO 0.06 0.59 0.22 0.00 1.06 0.00 0.00 176.91 178.84 1wua h ALA 228 N 1.35 0.78 -0.16 6.32 0.00 -0.85 -1.16 119.26 125.55 1wua h ALA 228 Ca 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1wua h ALA 228 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1wua h ALA 228 CO -0.14 0.42 0.10 1.15 0.00 0.00 0.00 179.25 180.78 1wua h THR 229 N 0.84 1.04 -0.08 0.00 2.02 -0.84 -2.59 112.91 113.29 1wua h THR 229 Ca 0.20 -0.07 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 1wua h THR 229 Cb 0.23 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1wua h THR 229 CO -0.01 0.04 -0.16 0.00 0.37 0.00 0.00 175.52 175.76 1wua h ALA 230 N 1.06 1.59 0.00 6.16 0.00 -0.92 -2.25 119.26 124.90 1wua h ALA 230 Ca 0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1wua h ALA 230 Cb -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1wua h ALA 230 CO -0.01 0.30 -0.21 0.00 0.00 0.00 0.00 179.25 179.32 1wua h ALA 231 N 1.73 0.98 -0.01 0.00 0.00 -0.92 -3.34 119.26 117.70 1wua h ALA 231 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1wua h ALA 231 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wua h ALA 231 CO 0.02 0.26 -0.02 -1.13 0.00 0.00 0.00 179.25 178.39 1wua n SER 232 N -3.32 1.29 -3.57 0.00 3.41 -0.92 -5.04 113.62 105.46 1wua n SER 232 Ca 0.01 -1.14 -0.11 0.00 -0.26 0.00 0.00 58.87 57.36 1wua n SER 232 Cb 0.45 0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 1wua n SER 232 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wua s SER 233 N -0.49 -0.35 0.00 4.04 0.15 -0.89 -5.03 113.70 111.14 1wua s SER 233 Ca 0.05 -0.15 0.19 0.00 0.70 0.00 0.00 55.95 56.74 1wua s SER 233 Cb 0.04 0.50 0.53 0.00 -1.71 0.00 0.00 66.02 65.38 1wua s SER 233 CO 0.07 -0.85 1.44 -1.54 1.20 0.00 0.00 173.24 173.56 1wua n SER 234 N -0.13 3.02 0.30 5.45 3.41 -1.26 -4.60 113.62 119.80 1wua n SER 234 Ca -0.17 -1.96 0.18 0.00 -0.26 0.00 0.00 58.87 56.65 1wua n SER 234 Cb 0.63 -0.33 0.91 0.00 -0.26 0.00 0.00 64.21 65.16 1wua n SER 234 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1wua h SER 235 N 3.49 0.00 -0.35 4.04 4.64 -1.94 -1.73 113.55 121.70 1wua h SER 235 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wua h SER 235 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1wua h SER 235 CO 0.00 0.04 0.00 0.18 -0.87 0.00 0.00 176.83 176.18 1wua n LEU 236 N -3.32 3.34 -4.77 5.97 4.77 -1.26 -4.98 117.00 116.75 1wua n LEU 236 Ca -0.02 -1.41 -0.39 0.00 -0.03 0.00 0.00 56.01 54.16 1wua n LEU 236 Cb 0.18 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.99 1wua n LEU 236 CO 0.26 0.71 0.69 -1.61 -1.33 0.00 0.00 177.39 176.10 1wua s GLU 237 N -1.55 4.65 0.03 3.23 2.02 -0.65 -4.55 118.70 121.88 1wua s GLU 237 Ca 0.38 1.50 0.02 0.00 0.02 0.00 0.00 54.97 56.88 1wua s GLU 237 Cb 0.22 -3.02 -0.02 0.00 0.10 0.00 0.00 34.13 31.41 1wua s GLU 237 CO 0.31 0.31 -0.07 0.15 0.02 0.00 0.00 175.26 175.99 1wua s LYS 238 N -1.67 0.47 0.18 1.61 -0.14 -0.12 -4.99 119.74 115.08 1wua s LYS 238 Ca 0.47 -0.66 0.09 0.00 -1.36 0.00 0.00 55.97 54.50 1wua s LYS 238 Cb -0.24 -0.23 -0.04 0.00 -1.68 0.00 0.00 37.83 35.64 1wua s LYS 238 CO 0.30 0.04 -0.12 -1.12 -0.76 0.00 0.00 175.35 173.70 1wua s SER 239 N -1.39 4.14 -0.10 2.83 0.01 -1.26 -0.97 113.70 116.97 1wua s SER 239 Ca -0.10 -0.61 -0.05 0.00 1.31 0.00 0.00 55.95 56.51 1wua s SER 239 Cb -0.09 -0.66 0.05 0.00 0.21 0.00 0.00 66.02 65.53 1wua s SER 239 CO 0.00 0.11 0.22 -0.47 0.41 0.00 0.00 173.24 173.52 1wua s TYR 240 N -1.67 -0.30 -0.24 2.43 6.14 0.31 -4.98 117.35 119.04 1wua s TYR 240 Ca 0.24 0.73 -0.20 0.00 0.64 0.00 0.00 57.07 58.48 1wua s TYR 240 Cb -0.09 0.01 -0.02 0.00 0.42 0.00 0.00 41.96 42.28 1wua s TYR 240 CO 0.14 -0.23 0.61 -2.00 0.64 0.00 0.00 175.55 174.72 1wua s GLU 241 N 1.32 4.12 0.73 4.97 2.12 -1.26 -0.77 118.70 129.93 1wua s GLU 241 Ca -0.09 0.52 -0.11 0.00 0.36 0.00 0.00 54.97 55.66 1wua s GLU 241 Cb -0.11 -3.64 0.03 0.00 0.26 0.00 0.00 34.13 30.67 1wua s GLU 241 CO -0.08 -0.37 1.07 -0.51 -0.54 0.00 0.00 175.26 174.83 1wua s LEU 242 N 2.35 2.95 0.59 2.70 2.01 0.13 -4.93 118.68 124.49 1wua s LEU 242 Ca 0.26 1.50 0.30 0.00 0.01 0.00 0.00 54.13 56.20 1wua s LEU 242 Cb -0.16 -4.29 1.77 0.00 0.01 0.00 0.00 46.19 43.52 1wua s LEU 242 CO 0.09 -1.61 2.19 -0.65 1.01 0.00 0.00 176.35 177.37 1wua h PRO 243 N -0.84 0.00 -0.06 1.29 0.11 -1.97 -0.88 132.00 129.65 1wua h PRO 243 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1wua h PRO 243 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1wua h PRO 243 CO 0.58 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 1wua n ASP 244 N -3.78 0.61 0.00 -2.05 3.85 -1.26 -4.91 116.55 109.00 1wua n ASP 244 Ca -0.01 -1.52 0.00 0.00 -0.71 0.00 0.00 54.79 52.55 1wua n ASP 244 Cb 0.19 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 1wua n ASP 244 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wua n GLY 245 N 0.91 1.93 3.77 6.12 0.00 -0.34 -5.04 105.19 112.55 1wua n GLY 245 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1wua n GLY 245 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wua s GLN 246 N -0.47 4.07 -0.28 1.61 -0.21 -1.26 -4.72 119.66 118.39 1wua s GLN 246 Ca 0.00 2.39 -0.08 0.00 0.02 0.00 0.00 55.36 57.69 1wua s GLN 246 Cb 0.00 -2.90 -0.02 0.00 1.00 0.00 0.00 33.01 31.09 1wua s GLN 246 CO 0.00 -0.50 0.10 0.08 -2.12 0.00 0.00 175.29 172.86 1wua s VAL 247 N -1.16 4.39 -0.13 1.09 1.01 -1.26 0.20 120.40 124.54 1wua s VAL 247 Ca 0.54 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 62.10 1wua s VAL 247 Cb -0.43 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 1wua s VAL 247 CO 0.57 0.20 0.18 -0.51 0.00 0.00 0.00 175.10 175.54 1wua s ILE 248 N 1.60 5.41 -0.12 2.22 2.07 0.05 -4.90 121.20 127.52 1wua s ILE 248 Ca 0.05 0.31 -0.02 0.00 -1.41 0.00 0.00 60.65 59.58 1wua s ILE 248 Cb -0.16 -3.48 -0.02 0.00 0.13 0.00 0.00 42.46 38.93 1wua s ILE 248 CO 0.05 0.55 -0.07 -0.89 -1.91 0.00 0.00 174.94 172.66 1wua s THR 249 N -0.53 3.63 0.09 4.00 2.01 -1.26 -0.53 115.64 123.05 1wua s THR 249 Ca 0.14 -0.47 0.07 0.00 0.31 0.00 0.00 61.69 61.75 1wua s THR 249 Cb -0.12 -2.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 1wua s THR 249 CO 0.03 0.53 -0.19 0.27 -0.69 0.00 0.00 174.62 174.58 1wua s ILE 250 N 0.04 1.50 0.00 1.82 -4.36 -0.14 -4.97 121.20 115.09 1wua s ILE 250 Ca -0.01 -1.46 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 1wua s ILE 250 Cb -0.14 -1.39 0.00 0.00 1.25 0.00 0.00 42.46 42.18 1wua s ILE 250 CO 0.03 -0.12 0.00 0.61 0.24 0.00 0.00 174.94 175.70 1wua n GLY 251 N 1.15 0.57 0.31 6.27 0.00 -1.26 -0.95 105.19 111.28 1wua n GLY 251 Ca -0.20 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.00 1wua n GLY 251 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1wua h ASN 252 N 0.00 0.00 0.05 1.61 -0.00 -1.90 -0.97 115.58 114.37 1wua h ASN 252 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.29 1wua h ASN 252 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1wua h ASN 252 CO 0.00 0.02 -0.05 -0.33 -0.00 0.00 0.00 177.43 177.07 1wua h GLU 253 N 0.00 0.00 -0.82 4.14 3.07 -1.98 0.39 114.58 119.38 1wua h GLU 253 Ca -0.00 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.96 1wua h GLU 253 Cb 0.20 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.04 1wua h GLU 253 CO 0.00 0.05 0.46 0.00 -1.40 0.00 0.00 179.01 178.12 1wua h ARG 254 N 0.00 0.73 0.00 2.33 3.08 -1.48 -2.92 114.38 116.12 1wua h ARG 254 Ca -0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1wua h ARG 254 Cb 0.09 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.97 1wua h ARG 254 CO 0.01 0.48 -1.39 1.97 -1.07 0.00 0.00 179.97 179.97 1wua n PHE 255 N -4.77 0.00 -0.06 3.04 1.16 -0.96 -1.42 117.46 114.45 1wua n PHE 255 Ca 0.14 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.71 1wua n PHE 255 Cb 0.30 -0.24 0.25 0.00 -1.61 0.00 0.00 39.48 38.19 1wua n PHE 255 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1wua h ARG 256 N 0.00 0.67 0.77 3.97 3.08 -0.92 -2.06 114.38 119.89 1wua h ARG 256 Ca 0.00 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 1wua h ARG 256 Cb 0.55 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.50 1wua h ARG 256 CO 0.00 0.63 -0.37 0.00 -1.07 0.00 0.00 179.97 179.16 1wua n PRO 258 N -5.03 0.12 -0.02 0.00 -0.04 -1.24 -2.45 135.00 126.34 1wua n PRO 258 Ca -0.13 0.28 0.22 0.00 -0.04 0.00 0.00 63.50 63.83 1wua n PRO 258 Cb 0.41 -1.69 0.71 0.00 -0.04 0.00 0.00 33.50 32.88 1wua n PRO 258 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1wua h GLU 259 N 0.00 0.00 -0.91 0.54 4.57 -1.22 -1.03 114.58 116.53 1wua h GLU 259 Ca 0.00 0.00 0.24 0.00 -1.18 0.00 0.00 59.36 58.42 1wua h GLU 259 Cb 0.40 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.93 1wua h GLU 259 CO 0.00 0.00 0.63 1.15 -1.18 0.00 0.00 179.01 179.61 1wua h THR 260 N 0.00 0.60 -0.49 0.32 2.02 -1.53 0.14 112.91 113.96 1wua h THR 260 Ca 0.27 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 67.40 1wua h THR 260 Cb 1.13 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1wua h THR 260 CO -0.00 0.03 0.33 -0.07 0.37 0.00 0.00 175.52 176.18 1wua h LEU 261 N 0.19 0.54 0.00 2.58 3.38 -1.42 -1.73 115.31 118.86 1wua h LEU 261 Ca 0.46 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 58.18 1wua h LEU 261 Cb 1.48 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 1wua h LEU 261 CO -0.10 0.39 -1.66 0.49 0.09 0.00 0.00 178.44 177.65 1wua n PHE 262 N -4.47 0.85 -3.62 1.13 3.72 0.12 -0.73 117.46 114.46 1wua n PHE 262 Ca 0.05 0.30 -0.27 0.00 -0.05 0.00 0.00 57.45 57.47 1wua n PHE 262 Cb 0.07 -1.10 -0.11 0.00 -0.94 0.00 0.00 39.48 37.41 1wua n PHE 262 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1wua n GLN 263 N -2.92 1.15 0.26 -1.08 6.02 0.26 -3.98 117.38 117.10 1wua n GLN 263 Ca -0.15 -3.90 0.16 0.00 -0.01 0.00 0.00 57.00 53.10 1wua n GLN 263 Cb 0.95 -1.98 0.86 0.00 1.02 0.00 0.00 30.24 31.10 1wua n GLN 263 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1wua h PRO 264 N 5.33 0.00 -0.05 -1.09 0.11 -1.52 -1.59 132.00 133.18 1wua h PRO 264 Ca 0.20 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.32 1wua h PRO 264 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 1wua h PRO 264 CO 0.57 0.00 0.14 0.66 -0.21 0.00 0.00 178.00 179.16 1wua h SER 265 N 0.00 0.00 -0.33 -2.05 4.64 -1.71 -1.89 113.55 112.21 1wua h SER 265 Ca 0.00 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 1wua h SER 265 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1wua h SER 265 CO 0.00 0.00 0.23 -0.26 -0.87 0.00 0.00 176.83 175.93 1wua h PHE 266 N 0.00 0.04 -0.24 4.77 0.05 -1.58 -1.11 116.94 118.86 1wua h PHE 266 Ca 0.02 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.74 1wua h PHE 266 Cb 0.31 -0.01 -0.05 0.00 2.00 0.00 0.00 35.95 38.20 1wua h PHE 266 CO 0.00 0.02 -0.06 0.44 -0.18 0.00 0.00 178.31 178.52 1wua n ILE 267 N -4.45 2.34 -1.07 -0.55 -5.35 -0.77 -4.97 119.36 104.53 1wua n ILE 267 Ca 0.05 -2.39 -0.03 0.00 -0.27 0.00 0.00 62.75 60.11 1wua n ILE 267 Cb 0.38 -0.28 -0.01 0.00 -1.74 0.00 0.00 39.64 37.99 1wua n ILE 267 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wua n GLY 268 N -0.95 0.58 3.84 3.28 0.00 -0.42 -5.04 105.19 106.48 1wua n GLY 268 Ca 0.25 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 1wua n GLY 268 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1wua s MET 269 N -2.01 3.77 0.00 1.61 -1.94 -0.84 -4.94 119.30 114.94 1wua s MET 269 Ca 0.00 0.12 0.31 0.00 -1.71 0.00 0.00 55.69 54.41 1wua s MET 269 Cb 0.00 -3.24 1.62 0.00 2.01 0.00 0.00 34.83 35.22 1wua s MET 269 CO 0.00 0.66 2.07 0.39 -0.01 0.00 0.00 175.02 178.13 1wua n GLU 270 N 2.18 1.02 -1.94 2.03 -0.58 -1.26 -2.19 120.64 119.90 1wua n GLU 270 Ca -0.16 -0.20 -0.34 0.00 -0.42 0.00 0.00 57.16 56.03 1wua n GLU 270 Cb 0.53 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.94 1wua n GLU 270 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1wua s SER 271 N -2.13 5.22 0.50 1.62 0.01 -1.26 -4.98 113.70 112.69 1wua s SER 271 Ca 0.42 2.18 -0.23 0.00 1.31 0.00 0.00 55.95 59.62 1wua s SER 271 Cb 0.21 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.81 1wua s SER 271 CO 0.39 -1.56 1.36 0.00 0.41 0.00 0.00 173.24 173.84 1wua s ALA 272 N -1.96 2.98 0.85 1.44 0.00 -1.26 -4.38 121.76 119.43 1wua s ALA 272 Ca 0.72 1.34 -0.12 0.00 0.00 0.00 0.00 51.96 53.89 1wua s ALA 272 Cb -0.25 -3.56 0.10 0.00 0.00 0.00 0.00 23.12 19.42 1wua s ALA 272 CO 0.35 -1.24 1.15 0.20 0.00 0.00 0.00 175.76 176.23 1wua s GLY 273 N -0.84 1.59 0.53 0.00 0.00 -1.26 -4.75 107.32 102.59 1wua s GLY 273 Ca 0.67 -0.57 0.21 0.00 0.00 0.00 0.00 44.72 45.03 1wua s GLY 273 CO 0.49 -0.05 2.14 0.16 0.00 0.00 0.00 173.10 175.84 1wua h ILE 274 N -1.25 0.84 -0.44 0.90 3.07 -1.18 -0.59 117.51 118.85 1wua h ILE 274 Ca -0.48 -0.18 -0.13 0.00 1.55 0.00 0.00 64.86 65.61 1wua h ILE 274 Cb 1.33 1.10 -0.01 0.00 -0.27 0.00 0.00 36.82 38.97 1wua h ILE 274 CO 0.64 0.05 -0.24 1.12 -1.05 0.00 0.00 178.15 178.66 1wua h HIS 275 N 0.00 1.10 -0.13 0.16 2.07 -1.91 -1.90 115.15 114.54 1wua h HIS 275 Ca -0.00 -0.28 -0.18 0.00 -2.85 0.00 0.00 60.37 57.05 1wua h HIS 275 Cb 0.10 -0.25 -0.00 0.00 2.57 0.00 0.00 27.41 29.83 1wua h HIS 275 CO 0.00 1.10 -0.68 1.49 -3.07 0.00 0.00 177.93 176.77 1wua h GLU 276 N 0.79 0.52 -0.20 5.12 4.81 -1.52 -2.04 114.58 122.06 1wua h GLU 276 Ca 0.10 -0.39 -0.13 0.00 -0.13 0.00 0.00 59.36 58.80 1wua h GLU 276 Cb 0.82 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1wua h GLU 276 CO 0.07 1.02 -0.43 1.79 -0.73 0.00 0.00 179.01 180.73 1wua h THR 277 N 0.37 1.31 0.15 0.32 1.35 -1.25 0.13 112.91 115.29 1wua h THR 277 Ca -0.02 -1.60 -0.01 0.00 -0.55 0.00 0.00 66.41 64.23 1wua h THR 277 Cb 1.25 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1wua h THR 277 CO 0.12 0.50 -0.07 0.74 -0.25 0.00 0.00 175.52 176.56 1wua h THR 278 N 0.39 0.89 -0.25 6.82 2.02 -1.21 -0.71 112.91 120.86 1wua h THR 278 Ca 0.03 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.09 1wua h THR 278 Cb 0.91 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 1wua h THR 278 CO 0.08 0.03 0.12 0.22 0.37 0.00 0.00 175.52 176.34 1wua h TYR 279 N -0.26 0.22 -0.94 3.16 3.20 -1.25 -1.78 116.97 119.33 1wua h TYR 279 Ca -0.02 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.88 1wua h TYR 279 Cb 0.21 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 1wua h TYR 279 CO -0.05 0.12 0.62 -0.91 -1.64 0.00 0.00 178.16 176.30 1wua h ASN 280 N 0.26 1.04 -0.31 -2.11 -0.26 -0.67 -0.79 115.58 112.74 1wua h ASN 280 Ca 0.10 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.80 1wua h ASN 280 Cb 0.03 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.03 1wua h ASN 280 CO -0.07 0.73 0.10 -1.28 -1.06 0.00 0.00 177.43 175.85 1wua h SER 281 N 1.22 0.45 -0.98 5.81 0.87 -0.80 -2.13 113.55 117.99 1wua h SER 281 Ca 0.36 -0.21 0.04 0.00 -1.23 0.00 0.00 61.79 60.75 1wua h SER 281 Cb -0.06 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 61.73 1wua h SER 281 CO -0.10 0.54 0.64 0.40 -0.53 0.00 0.00 176.83 177.78 1wua h ILE 282 N 0.34 1.16 0.00 2.23 2.04 -0.78 -2.14 117.51 120.36 1wua h ILE 282 Ca 0.10 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1wua h ILE 282 Cb 0.25 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 1wua h ILE 282 CO -0.00 0.22 0.00 0.23 0.00 0.00 0.00 178.15 178.60 1wua n MET 283 N -4.45 0.21 0.19 2.37 2.81 -0.35 -1.68 117.12 116.23 1wua n MET 283 Ca 0.13 0.40 0.12 0.00 -1.81 0.00 0.00 57.70 56.54 1wua n MET 283 Cb 0.11 -1.88 0.21 0.00 -0.71 0.00 0.00 33.22 30.95 1wua n MET 283 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1wua h LYS 284 N 0.00 0.00 -6.96 0.03 1.79 -0.73 -3.47 116.57 107.22 1wua h LYS 284 Ca 0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 1wua h LYS 284 Cb 0.43 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.10 1wua h LYS 284 CO 0.00 0.00 0.16 0.00 -1.08 0.00 0.00 179.45 178.53 1wua n ASP 286 N -1.92 1.71 -0.18 0.00 4.64 -1.26 -4.79 116.55 114.75 1wua n ASP 286 Ca 0.02 1.11 0.28 0.00 -1.38 0.00 0.00 54.79 54.83 1wua n ASP 286 Cb 0.54 -1.13 0.72 0.00 -1.04 0.00 0.00 41.12 40.21 1wua n ASP 286 CO 0.00 0.00 0.00 -0.29 -0.82 0.00 0.00 177.20 176.09 1wua h ILE 287 N 4.00 0.56 0.00 5.18 2.10 -1.93 -0.59 117.51 126.83 1wua h ILE 287 Ca -0.47 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.46 1wua h ILE 287 Cb 1.34 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 37.62 1wua h ILE 287 CO 0.84 0.00 0.00 0.44 -1.08 0.00 0.00 178.15 178.35 1wua h ASP 288 N 0.01 0.00 -0.01 2.19 3.32 -2.01 -3.16 116.42 116.76 1wua h ASP 288 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1wua h ASP 288 Cb 1.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.23 1wua h ASP 288 CO -0.01 0.00 -0.31 2.30 -1.72 0.00 0.00 179.24 179.50 1wua n ILE 289 N -2.66 0.00 -0.29 0.35 -5.35 -0.24 -4.67 119.36 106.50 1wua n ILE 289 Ca 0.02 -0.34 -0.03 0.00 -0.27 0.00 0.00 62.75 62.12 1wua n ILE 289 Cb 0.29 1.17 0.12 0.00 -1.74 0.00 0.00 39.64 39.48 1wua n ILE 289 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1wua h ARG 290 N 1.58 1.18 -0.69 6.28 3.08 -1.51 -1.94 114.38 122.36 1wua h ARG 290 Ca 0.00 -0.15 0.09 0.00 0.07 0.00 0.00 59.98 59.99 1wua h ARG 290 Cb 0.49 -0.23 -0.07 0.00 0.08 0.00 0.00 29.97 30.25 1wua h ARG 290 CO 0.00 0.88 0.34 -0.22 -1.07 0.00 0.00 179.97 179.89 1wua h LYS 291 N 1.18 0.56 -0.23 0.04 3.64 -1.83 0.42 116.57 120.35 1wua h LYS 291 Ca 0.29 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.52 1wua h LYS 291 Cb 0.06 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1wua h LYS 291 CO -0.04 0.37 -0.38 -0.44 -2.27 0.00 0.00 179.45 176.69 1wua h ASP 292 N 0.58 0.53 -0.27 4.20 3.45 -1.70 -2.69 116.42 120.51 1wua h ASP 292 Ca 0.34 -0.22 -0.05 0.00 0.43 0.00 0.00 57.03 57.53 1wua h ASP 292 Cb 0.36 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 1wua h ASP 292 CO -0.27 0.86 -0.02 -0.07 -1.57 0.00 0.00 179.24 178.17 1wua h LEU 293 N 0.42 0.49 -1.31 1.55 3.38 -0.64 -2.81 115.31 116.40 1wua h LEU 293 Ca 0.04 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.75 1wua h LEU 293 Cb 0.85 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 1wua h LEU 293 CO 0.07 0.70 0.51 1.88 0.09 0.00 0.00 178.44 181.70 1wua h TYR 294 N 0.27 0.85 -0.00 1.13 0.05 -0.88 -1.19 116.97 117.19 1wua h TYR 294 Ca 0.07 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1wua h TYR 294 Cb 0.46 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1wua h TYR 294 CO 0.04 0.44 -0.02 0.00 -1.05 0.00 0.00 178.16 177.57 1wua n ALA 295 N -2.43 2.66 -2.78 3.88 0.00 -1.02 -1.84 120.51 118.98 1wua n ALA 295 Ca 0.12 -0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 1wua n ALA 295 Cb 0.23 -1.41 0.02 0.00 0.00 0.00 0.00 19.45 18.30 1wua n ALA 295 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wua n ASN 296 N -0.79 1.04 -4.64 0.00 3.02 -0.46 -4.35 115.26 109.09 1wua n ASN 296 Ca 0.20 -2.78 -0.43 0.00 -0.03 0.00 0.00 54.58 51.54 1wua n ASN 296 Cb 0.21 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.94 1wua n ASN 296 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1wua s ASN 297 N -2.82 6.86 -0.15 6.41 0.01 -0.88 -1.36 114.94 123.01 1wua s ASN 297 Ca 0.29 1.10 -0.02 0.00 -0.71 0.00 0.00 52.86 53.53 1wua s ASN 297 Cb 0.43 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.53 1wua s ASN 297 CO 0.00 -0.94 -0.09 -0.69 -1.51 0.00 0.00 177.10 173.88 1wua s VAL 298 N 3.85 3.40 -0.11 1.60 1.01 -0.08 0.38 120.40 130.45 1wua s VAL 298 Ca 0.49 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.85 1wua s VAL 298 Cb -0.14 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1wua s VAL 298 CO 0.18 0.51 0.18 -0.04 0.00 0.00 0.00 175.10 175.93 1wua s MET 299 N 0.43 3.58 0.00 2.72 -1.94 -0.11 -0.88 119.30 123.10 1wua s MET 299 Ca -0.07 -0.05 -0.02 0.00 -1.71 0.00 0.00 55.69 53.84 1wua s MET 299 Cb -0.15 -3.21 -0.01 0.00 2.01 0.00 0.00 34.83 33.47 1wua s MET 299 CO 0.04 0.72 0.02 0.45 -0.01 0.00 0.00 175.02 176.25 1wua s SER 300 N -0.92 0.10 0.00 3.03 0.15 0.26 -4.49 113.70 111.84 1wua s SER 300 Ca 0.16 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.57 1wua s SER 300 Cb -0.13 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1wua s SER 300 CO 0.05 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1wua n GLY 301 N 2.11 2.31 0.32 9.45 0.00 -0.12 -1.12 105.19 118.14 1wua n GLY 301 Ca -0.19 -1.86 0.07 0.00 0.00 0.00 0.00 46.02 44.04 1wua n GLY 301 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wua h GLY 302 N 0.00 0.47 1.42 -0.02 0.00 -1.75 -1.44 103.07 101.75 1wua h GLY 302 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1wua h GLY 302 CO 0.00 0.14 0.00 2.41 0.00 0.00 0.00 176.54 179.09 1wua n THR 303 N -4.48 0.04 0.62 4.70 -1.04 -0.58 -1.90 114.28 111.64 1wua n THR 303 Ca 0.04 0.01 0.08 0.00 -2.04 0.00 0.00 64.05 62.14 1wua n THR 303 Cb 0.17 -0.53 0.22 0.00 -1.82 0.00 0.00 70.33 68.37 1wua n THR 303 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1wua n THR 304 N -1.21 0.56 0.90 12.58 -2.24 -0.54 -4.37 114.28 119.96 1wua n THR 304 Ca 0.16 -0.58 0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1wua n THR 304 Cb 0.20 0.34 0.52 0.00 -2.10 0.00 0.00 70.33 69.28 1wua n THR 304 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1wua n MET 305 N 0.80 0.07 -1.67 -0.78 2.81 -0.80 -4.90 117.12 112.65 1wua n MET 305 Ca 0.15 0.05 -0.46 0.00 -1.81 0.00 0.00 57.70 55.64 1wua n MET 305 Cb 0.39 -1.57 -0.04 0.00 -0.71 0.00 0.00 33.22 31.28 1wua n MET 305 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1wua n TYR 306 N -1.69 2.33 -1.62 2.03 4.01 -1.26 -4.91 117.16 116.05 1wua n TYR 306 Ca 0.06 0.20 -0.44 0.00 -0.16 0.00 0.00 57.90 57.57 1wua n TYR 306 Cb 0.36 -2.58 -0.01 0.00 -0.31 0.00 0.00 39.34 36.81 1wua n TYR 306 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1wua n PRO 307 N 3.95 1.55 0.00 -0.72 -0.02 -1.26 -2.41 135.00 136.08 1wua n PRO 307 Ca 0.18 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1wua n PRO 307 Cb 0.30 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1wua n PRO 307 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wua n GLY 308 N 1.10 2.02 0.29 -1.23 0.00 -1.26 -0.76 105.19 105.34 1wua n GLY 308 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 1wua n GLY 308 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1wua h ILE 309 N 0.00 1.27 -0.49 -0.61 2.10 -1.71 -1.43 117.51 116.63 1wua h ILE 309 Ca 0.00 -1.30 -0.04 0.00 1.08 0.00 0.00 64.86 64.59 1wua h ILE 309 Cb 0.00 1.05 -0.02 0.00 -1.09 0.00 0.00 36.82 36.76 1wua h ILE 309 CO 0.00 0.45 0.14 0.00 -1.08 0.00 0.00 178.15 177.66 1wua h ALA 310 N 0.97 0.64 -0.64 0.18 0.00 -1.91 -0.89 119.26 117.62 1wua h ALA 310 Ca 0.12 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1wua h ALA 310 Cb 0.71 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1wua h ALA 310 CO 0.05 0.32 0.11 -0.44 0.00 0.00 0.00 179.25 179.29 1wua h ASP 311 N 0.66 0.98 -0.42 0.00 3.45 -1.94 0.13 116.42 119.29 1wua h ASP 311 Ca 0.16 -0.22 -0.05 0.00 0.43 0.00 0.00 57.03 57.35 1wua h ASP 311 Cb 0.30 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 1wua h ASP 311 CO -0.00 0.97 0.07 -0.09 -1.57 0.00 0.00 179.24 178.62 1wua h ARG 312 N 0.97 0.70 -0.64 3.56 9.65 -1.09 -2.08 114.38 125.46 1wua h ARG 312 Ca 0.20 -0.19 -0.08 0.00 -1.10 0.00 0.00 59.98 58.81 1wua h ARG 312 Cb 0.40 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.87 1wua h ARG 312 CO 0.01 0.74 0.10 1.98 2.80 0.00 0.00 179.97 185.59 1wua h MET 313 N 0.56 1.05 -0.45 0.20 4.05 -0.87 -0.27 114.93 119.19 1wua h MET 313 Ca 0.13 -0.28 0.06 0.00 -0.28 0.00 0.00 59.70 59.33 1wua h MET 313 Cb 0.38 -0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 31.00 1wua h MET 313 CO 0.01 0.97 0.16 0.37 0.23 0.00 0.00 176.91 178.64 1wua h GLN 314 N 0.98 0.31 -0.12 0.39 5.75 -0.84 0.09 115.11 121.68 1wua h GLN 314 Ca 0.19 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 1wua h GLN 314 Cb 0.43 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 1wua h GLN 314 CO 0.01 0.21 0.04 -0.22 -2.65 0.00 0.00 178.83 176.22 1wua h LYS 315 N 0.32 0.17 -0.40 1.69 3.64 -0.98 -1.30 116.57 119.71 1wua h LYS 315 Ca 0.21 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 1wua h LYS 315 Cb 0.21 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1wua h LYS 315 CO -0.22 0.29 -0.23 0.93 -2.27 0.00 0.00 179.45 177.95 1wua h GLU 316 N 0.02 0.87 -0.42 1.90 4.39 -0.81 -1.93 114.58 118.61 1wua h GLU 316 Ca 0.04 -0.40 -0.12 0.00 0.34 0.00 0.00 59.36 59.23 1wua h GLU 316 Cb 0.18 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1wua h GLU 316 CO -0.00 1.04 -0.21 0.82 -1.16 0.00 0.00 179.01 179.50 1wua h ILE 317 N 0.69 1.27 -1.00 3.13 1.08 -0.98 -2.69 117.51 119.00 1wua h ILE 317 Ca 0.09 -1.33 0.08 0.00 -0.39 0.00 0.00 64.86 63.30 1wua h ILE 317 Cb 0.80 1.17 -0.07 0.00 -3.07 0.00 0.00 36.82 35.65 1wua h ILE 317 CO 0.07 0.45 0.64 0.74 -0.69 0.00 0.00 178.15 179.36 1wua h THR 318 N 0.72 1.05 0.00 -0.27 2.02 -1.04 0.10 112.91 115.49 1wua h THR 318 Ca 0.10 -0.39 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 1wua h THR 318 Cb 0.73 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1wua h THR 318 CO 0.06 0.21 -0.37 0.00 0.37 0.00 0.00 175.52 175.78 1wua h ALA 319 N 1.48 1.19 0.00 6.16 0.00 -1.04 -3.20 119.26 123.85 1wua h ALA 319 Ca 0.45 -0.34 -0.24 0.00 0.00 0.00 0.00 54.91 54.78 1wua h ALA 319 Cb 0.24 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1wua h ALA 319 CO -0.19 0.46 -1.63 1.28 0.00 0.00 0.00 179.25 179.17 1wua n LEU 320 N -3.81 0.80 -4.90 0.00 4.77 -0.71 -4.97 117.00 108.17 1wua n LEU 320 Ca -0.01 0.37 -0.28 0.00 -0.03 0.00 0.00 56.01 56.05 1wua n LEU 320 Cb 0.44 0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.70 1wua n LEU 320 CO 0.37 0.29 0.58 0.00 -1.33 0.00 0.00 177.39 177.30 1wua s ALA 321 N -2.74 3.23 0.49 -1.18 0.00 -0.06 -5.03 121.76 116.47 1wua s ALA 321 Ca -0.04 -0.48 -0.22 0.00 0.00 0.00 0.00 51.96 51.22 1wua s ALA 321 Cb 0.08 -2.75 -0.08 0.00 0.00 0.00 0.00 23.12 20.37 1wua s ALA 321 CO 0.82 -0.71 1.00 -2.30 0.00 0.00 0.00 175.76 174.57 1wua n PRO 322 N -2.59 1.23 0.28 0.00 -0.02 -1.26 -4.86 135.00 127.77 1wua n PRO 322 Ca 0.04 0.45 0.13 0.00 -2.02 0.00 0.00 63.50 62.11 1wua n PRO 322 Cb 0.56 -2.11 0.81 0.00 -0.02 0.00 0.00 33.50 32.75 1wua n PRO 322 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1wua h SER 323 N 1.19 0.00 0.09 2.55 4.64 -1.96 -1.63 113.55 118.45 1wua h SER 323 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1wua h SER 323 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1wua h SER 323 CO 0.55 0.06 -0.12 0.35 -0.87 0.00 0.00 176.83 176.80 1wua n THR 324 N -3.80 0.00 -2.50 2.95 -2.24 -1.26 -4.96 114.28 102.47 1wua n THR 324 Ca -0.02 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1wua n THR 324 Cb 0.15 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 1wua n THR 324 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1wua s MET 325 N -2.22 4.48 -0.14 -0.78 0.00 -0.61 -4.99 119.30 115.04 1wua s MET 325 Ca 0.32 1.68 -0.29 0.00 0.00 0.00 0.00 55.69 57.40 1wua s MET 325 Cb 0.20 -3.37 -0.01 0.00 0.00 0.00 0.00 34.83 31.65 1wua s MET 325 CO 0.42 -0.18 1.13 0.21 0.00 0.00 0.00 175.02 176.60 1wua s LYS 326 N 0.91 4.32 -0.06 4.11 2.20 -1.26 -5.01 119.74 124.95 1wua s LYS 326 Ca 0.56 1.52 0.05 0.00 -0.36 0.00 0.00 55.97 57.75 1wua s LYS 326 Cb -0.27 -3.62 -0.01 0.00 -1.51 0.00 0.00 37.83 32.42 1wua s LYS 326 CO 0.29 -0.52 -0.23 0.42 -0.36 0.00 0.00 175.35 174.96 1wua s ILE 327 N 2.70 1.90 -0.02 5.43 1.01 -1.26 -3.45 121.20 127.51 1wua s ILE 327 Ca 0.51 -0.98 -0.00 0.00 0.00 0.00 0.00 60.65 60.18 1wua s ILE 327 Cb -0.20 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.67 1wua s ILE 327 CO 0.15 0.53 0.03 -0.75 0.00 0.00 0.00 174.94 174.91 1wua s LYS 328 N -0.06 -0.01 -0.18 2.79 2.20 -0.77 -4.93 119.74 118.79 1wua s LYS 328 Ca -0.05 0.14 -0.04 0.00 -0.36 0.00 0.00 55.97 55.66 1wua s LYS 328 Cb -0.14 -0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.00 1wua s LYS 328 CO 0.04 -0.11 -0.03 0.42 -0.36 0.00 0.00 175.35 175.31 1wua s ILE 329 N 0.71 3.80 -0.25 5.43 -1.09 -1.26 -2.07 121.20 126.47 1wua s ILE 329 Ca -0.06 -0.38 -0.05 0.00 -2.23 0.00 0.00 60.65 57.94 1wua s ILE 329 Cb -0.08 -2.69 -0.00 0.00 -1.58 0.00 0.00 42.46 38.11 1wua s ILE 329 CO -0.02 0.47 0.01 -0.63 -1.23 0.00 0.00 174.94 173.53 1wua s ILE 330 N 0.70 3.61 -0.54 2.92 1.09 0.16 -4.99 121.20 124.15 1wua s ILE 330 Ca -0.02 -0.56 0.04 0.00 -1.10 0.00 0.00 60.65 59.01 1wua s ILE 330 Cb -0.14 -2.74 0.16 0.00 -1.06 0.00 0.00 42.46 38.67 1wua s ILE 330 CO 0.02 0.29 0.36 0.00 -0.10 0.00 0.00 174.94 175.51 1wua s ALA 331 N 1.49 2.75 0.44 9.38 0.00 -1.26 -0.93 121.76 133.63 1wua s ALA 331 Ca 0.04 -3.11 -0.25 0.00 0.00 0.00 0.00 51.96 48.64 1wua s ALA 331 Cb -0.15 -1.96 -0.09 0.00 0.00 0.00 0.00 23.12 20.92 1wua s ALA 331 CO -0.01 -2.05 1.41 -2.30 0.00 0.00 0.00 175.76 172.81 1wua n PRO 332 N 2.74 2.21 -0.02 0.00 -0.02 -1.26 -4.89 135.00 133.76 1wua n PRO 332 Ca 0.17 0.79 0.11 0.00 -2.02 0.00 0.00 63.50 62.55 1wua n PRO 332 Cb 0.37 -2.59 0.53 0.00 -0.02 0.00 0.00 33.50 31.80 1wua n PRO 332 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1wua h PRO 333 N 2.28 0.32 -0.59 0.52 0.11 -1.99 -2.08 132.00 130.57 1wua h PRO 333 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1wua h PRO 333 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1wua h PRO 333 CO 0.61 0.21 0.00 -0.85 -0.21 0.00 0.00 178.00 177.76 1wua n GLU 334 N -4.47 2.09 0.00 1.05 0.00 -1.26 -4.59 120.64 113.47 1wua n GLU 334 Ca 0.07 -1.10 0.06 0.00 0.00 0.00 0.00 57.16 56.19 1wua n GLU 334 Cb 0.33 -1.53 0.25 0.00 0.00 0.00 0.00 31.44 30.49 1wua n GLU 334 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1wua n ARG 335 N 0.27 0.00 0.30 3.44 1.85 -0.78 -1.09 116.66 120.64 1wua n ARG 335 Ca 0.10 0.30 0.17 0.00 -1.00 0.00 0.00 57.85 57.41 1wua n ARG 335 Cb 0.44 -1.50 0.95 0.00 -1.05 0.00 0.00 32.46 31.30 1wua n ARG 335 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1wua h LYS 336 N 0.00 0.00 0.00 2.89 1.57 -1.81 -0.27 116.57 118.95 1wua h LYS 336 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wua h LYS 336 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1wua h LYS 336 CO 0.00 0.02 -0.05 0.66 -0.57 0.00 0.00 179.45 179.52 1wua n TYR 337 N -3.57 0.00 -0.23 -1.35 4.01 -0.25 -4.55 117.16 111.22 1wua n TYR 337 Ca -0.03 -0.60 0.02 0.00 -0.16 0.00 0.00 57.90 57.14 1wua n TYR 337 Cb 0.12 -0.08 0.27 0.00 -0.31 0.00 0.00 39.34 39.33 1wua n TYR 337 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1wua h SER 338 N 0.00 0.83 0.21 7.72 0.02 -1.48 -0.23 113.55 120.62 1wua h SER 338 Ca 0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1wua h SER 338 Cb 0.83 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1wua h SER 338 CO 0.00 0.58 -0.10 0.58 -1.14 0.00 0.00 176.83 176.75 1wua h VAL 339 N 0.97 0.81 -0.38 2.27 2.07 -1.85 0.22 116.25 120.36 1wua h VAL 339 Ca 0.30 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.77 1wua h VAL 339 Cb 0.02 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1wua h VAL 339 CO -0.08 0.02 0.22 -0.25 0.02 0.00 0.00 177.57 177.50 1wua h TRP 340 N -0.32 0.42 -0.54 1.57 7.01 -1.77 -1.83 115.95 120.48 1wua h TRP 340 Ca -0.03 0.01 0.01 0.00 2.11 0.00 0.00 58.89 60.99 1wua h TRP 340 Cb 0.25 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.15 1wua h TRP 340 CO -0.05 0.24 0.35 0.82 -2.79 0.00 0.00 178.44 177.01 1wua h ILE 341 N 0.45 1.13 -0.78 2.65 2.04 -0.86 -0.08 117.51 122.06 1wua h ILE 341 Ca 0.15 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1wua h ILE 341 Cb 0.01 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.39 1wua h ILE 341 CO -0.07 0.13 0.51 1.23 0.00 0.00 0.00 178.15 179.95 1wua h GLY 342 N 0.72 1.08 1.01 5.37 0.00 -0.65 -0.27 103.07 110.33 1wua h GLY 342 Ca 0.20 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 1wua h GLY 342 CO -0.05 0.32 0.17 -1.33 0.00 0.00 0.00 176.54 175.66 1wua h GLY 343 N 0.95 1.00 1.01 4.60 0.00 -0.42 -0.45 103.07 109.76 1wua h GLY 343 Ca 0.31 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1wua h GLY 343 CO -0.09 0.56 0.43 0.23 0.00 0.00 0.00 176.54 177.67 1wua h SER 344 N 0.84 0.98 -0.11 0.19 0.87 -0.20 -0.27 113.55 115.85 1wua h SER 344 Ca 0.19 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1wua h SER 344 Cb 0.30 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1wua h SER 344 CO -0.00 0.79 -0.03 0.40 -0.53 0.00 0.00 176.83 177.46 1wua h ILE 345 N 1.09 1.29 -0.20 2.23 2.04 -0.90 -2.78 117.51 120.28 1wua h ILE 345 Ca 0.28 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1wua h ILE 345 Cb 0.03 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1wua h ILE 345 CO -0.05 0.27 0.09 0.25 0.00 0.00 0.00 178.15 178.72 1wua h LEU 346 N -0.11 0.26 -1.72 1.44 5.85 -0.94 -2.56 115.31 117.53 1wua h LEU 346 Ca 0.03 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1wua h LEU 346 Cb 0.44 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1wua h LEU 346 CO 0.01 0.31 0.00 0.00 -0.34 0.00 0.00 178.44 178.42 1wua h ALA 347 N 0.96 1.00 0.00 1.25 0.00 -1.09 -2.22 119.26 119.17 1wua h ALA 347 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wua h ALA 347 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wua h ALA 347 CO -0.01 0.00 -0.61 0.77 0.00 0.00 0.00 179.25 179.40 1wua h SER 348 N 0.00 0.00 -3.29 0.00 0.02 -1.17 -3.47 113.55 105.65 1wua h SER 348 Ca 0.00 -0.19 -0.53 0.00 -0.84 0.00 0.00 61.79 60.24 1wua h SER 348 Cb 0.28 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.85 1wua h SER 348 CO 0.00 0.09 0.69 -0.76 -1.14 0.00 0.00 176.83 175.71 1wua s LEU 349 N -4.34 4.40 0.24 5.07 1.43 -0.84 -4.91 118.68 119.73 1wua s LEU 349 Ca 0.06 2.42 -0.04 0.00 -1.03 0.00 0.00 54.13 55.54 1wua s LEU 349 Cb 0.13 -3.61 0.39 0.00 0.03 0.00 0.00 46.19 43.14 1wua s LEU 349 CO 0.72 -0.58 1.81 0.77 0.23 0.00 0.00 176.35 179.30 1wua h SER 350 N 5.67 0.68 0.70 2.29 4.64 -1.91 -1.65 113.55 123.96 1wua h SER 350 Ca -0.44 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1wua h SER 350 Cb 1.21 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1wua h SER 350 CO 0.80 0.39 0.00 0.35 -0.87 0.00 0.00 176.83 177.49 1wua n THR 351 N -4.74 0.80 0.22 2.95 -2.24 -1.26 -2.35 114.28 107.66 1wua n THR 351 Ca 0.13 0.17 0.12 0.00 -2.27 0.00 0.00 64.05 62.21 1wua n THR 351 Cb 0.27 -0.96 0.17 0.00 -2.10 0.00 0.00 70.33 67.71 1wua n THR 351 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1wua h PHE 352 N 0.00 0.00 -0.19 4.78 3.57 -1.56 -3.37 116.94 120.16 1wua h PHE 352 Ca 0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1wua h PHE 352 Cb 0.35 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1wua h PHE 352 CO 0.00 0.00 -0.09 1.96 -2.23 0.00 0.00 178.31 177.95 1wua h GLN 353 N 0.00 0.30 0.00 1.11 1.08 -1.50 0.16 115.11 116.26 1wua h GLN 353 Ca 0.00 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1wua h GLN 353 Cb 0.99 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 1wua h GLN 353 CO 0.00 0.41 0.00 0.00 -0.95 0.00 0.00 178.83 178.29 1wua n GLN 354 N -4.28 0.19 0.06 1.46 10.64 -1.26 -3.18 117.38 121.01 1wua n GLN 354 Ca -0.00 0.44 0.12 0.00 -1.83 0.00 0.00 57.00 55.72 1wua n GLN 354 Cb 0.26 -1.87 0.07 0.00 -0.86 0.00 0.00 30.24 27.84 1wua n GLN 354 CO 0.00 0.00 0.00 -1.33 -1.83 0.00 0.00 177.06 173.90 1wua n MET 355 N -2.23 0.39 -1.70 2.61 2.81 0.56 -4.89 117.12 114.67 1wua n MET 355 Ca 0.02 0.06 -0.43 0.00 -1.81 0.00 0.00 57.70 55.55 1wua n MET 355 Cb 0.21 -1.70 -0.01 0.00 -0.71 0.00 0.00 33.22 31.02 1wua n MET 355 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 1wua n TRP 356 N -2.23 2.27 -2.85 2.03 7.02 -1.19 -4.95 117.44 117.54 1wua n TRP 356 Ca 0.02 0.54 -0.42 0.00 -1.02 0.00 0.00 57.50 56.63 1wua n TRP 356 Cb 0.47 -2.42 -0.04 0.00 -2.42 0.00 0.00 31.31 26.91 1wua n TRP 356 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1wua s ILE 357 N -1.02 4.86 0.37 -0.99 1.01 0.11 -4.89 121.20 120.64 1wua s ILE 357 Ca 0.56 1.73 -0.01 0.00 0.00 0.00 0.00 60.65 62.93 1wua s ILE 357 Cb -0.57 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 37.68 1wua s ILE 357 CO 0.61 0.03 0.59 0.42 0.00 0.00 0.00 174.94 176.59 1wua s THR 358 N 2.09 5.07 0.34 2.92 -4.23 -1.26 -1.02 115.64 119.55 1wua s THR 358 Ca 0.41 -0.34 0.02 0.00 -1.18 0.00 0.00 61.69 60.60 1wua s THR 358 Cb -0.17 -3.86 0.27 0.00 1.34 0.00 0.00 72.50 70.08 1wua s THR 358 CO 0.14 -0.60 1.98 0.50 -0.54 0.00 0.00 174.62 176.10 1wua h LYS 359 N 0.70 0.88 -0.30 3.99 1.63 -1.42 -1.13 116.57 120.92 1wua h LYS 359 Ca -0.49 -0.05 0.02 0.00 -0.85 0.00 0.00 60.65 59.27 1wua h LYS 359 Cb 1.22 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.62 1wua h LYS 359 CO 0.62 0.58 0.15 0.37 -3.45 0.00 0.00 179.45 177.72 1wua h GLN 360 N 0.91 0.31 -0.81 1.90 4.15 -1.94 0.21 115.11 119.84 1wua h GLN 360 Ca 0.28 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 1wua h GLN 360 Cb -0.00 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.58 1wua h GLN 360 CO -0.07 0.21 0.44 0.93 -1.93 0.00 0.00 178.83 178.40 1wua h GLU 361 N 0.32 1.13 -0.30 1.69 5.08 -1.81 -1.54 114.58 119.15 1wua h GLU 361 Ca 0.12 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1wua h GLU 361 Cb 0.03 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1wua h GLU 361 CO -0.08 0.84 0.16 -0.92 -1.00 0.00 0.00 179.01 178.00 1wua h TYR 362 N 1.13 0.42 -0.67 4.33 3.20 -0.63 -0.28 116.97 124.46 1wua h TYR 362 Ca 0.28 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.18 1wua h TYR 362 Cb 0.04 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 1wua h TYR 362 CO 0.00 0.36 0.44 -0.44 -1.64 0.00 0.00 178.16 176.89 1wua h ASP 363 N 0.36 0.68 0.27 -2.11 3.45 -0.25 0.41 116.42 119.23 1wua h ASP 363 Ca 0.10 -0.01 -0.23 0.00 0.43 0.00 0.00 57.03 57.32 1wua h ASP 363 Cb 0.09 -0.16 0.01 0.00 -0.56 0.00 0.00 39.33 38.71 1wua h ASP 363 CO -0.02 0.47 -0.96 -0.33 -1.57 0.00 0.00 179.24 176.83 1wua h GLU 364 N 0.79 0.47 0.00 3.56 5.08 -1.01 -3.41 114.58 120.05 1wua h GLU 364 Ca 0.27 -0.51 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1wua h GLU 364 Cb 0.09 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1wua h GLU 364 CO -0.08 1.15 -0.76 0.00 -1.00 0.00 0.00 179.01 178.33 1wua n ALA 365 N -2.56 1.81 0.00 3.43 0.00 -0.14 -5.10 120.51 117.95 1wua n ALA 365 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1wua n ALA 365 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.29 1wua n ALA 365 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wua n GLY 366 N 2.04 -2.43 0.34 0.00 0.00 0.14 -4.50 105.19 100.78 1wua n GLY 366 Ca 0.00 -1.58 0.17 0.00 0.00 0.00 0.00 46.02 44.60 1wua n GLY 366 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wua h PRO 367 N 0.00 0.00 -0.04 1.61 0.11 -1.89 -2.88 132.00 128.92 1wua h PRO 367 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 1wua h PRO 367 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1wua h PRO 367 CO 0.00 0.00 0.09 0.66 -0.21 0.00 0.00 178.00 178.54 1wua h SER 368 N 0.00 0.00 -0.21 -2.05 4.64 -1.93 -1.93 113.55 112.07 1wua h SER 368 Ca 0.12 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.50 1wua h SER 368 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1wua h SER 368 CO -0.00 0.00 0.25 -0.29 -0.87 0.00 0.00 176.83 175.92 1wua h ILE 369 N 0.00 0.41 0.00 0.95 6.09 -1.76 -2.96 117.51 120.24 1wua h ILE 369 Ca 0.02 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.51 1wua h ILE 369 Cb 0.19 0.80 0.00 0.00 0.47 0.00 0.00 36.82 38.28 1wua h ILE 369 CO -0.00 0.00 0.00 1.62 -3.07 0.00 0.00 178.15 176.70 1wua h VAL 370 N 0.00 0.00 -0.02 2.19 3.04 -1.62 -3.51 116.25 116.34 1wua h VAL 370 Ca 0.10 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 1wua h VAL 370 Cb 0.60 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.90 1wua h VAL 370 CO -0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 177.97