#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xr5 s GLN 2 N 0.00 1.26 -0.55 1.61 -2.07 -0.98 -3.91 119.66 115.02 1xr5 s GLN 2 Ca 0.00 -0.96 -0.28 0.00 -1.82 0.00 0.00 55.36 52.30 1xr5 s GLN 2 Cb 0.00 -1.39 0.01 0.00 -1.09 0.00 0.00 33.01 30.54 1xr5 s GLN 2 CO 0.00 0.35 1.40 0.54 -1.32 0.00 0.00 175.29 176.26 1xr5 s VAL 3 N -0.89 3.80 -0.18 3.63 0.11 -1.26 -1.90 120.40 123.71 1xr5 s VAL 3 Ca 0.06 0.69 0.16 0.00 -2.93 0.00 0.00 61.98 59.96 1xr5 s VAL 3 Cb -0.09 -4.44 0.09 0.00 -1.53 0.00 0.00 36.38 30.41 1xr5 s VAL 3 CO 0.02 -1.16 1.46 0.16 -3.33 0.00 0.00 175.10 172.26 1xr5 h ILE 4 N 6.37 0.79 -1.81 7.04 3.07 -1.75 -3.48 117.51 127.74 1xr5 h ILE 4 Ca -0.27 -2.11 0.00 0.00 1.55 0.00 0.00 64.86 64.04 1xr5 h ILE 4 Cb 1.09 2.39 -0.22 0.00 -0.27 0.00 0.00 36.82 39.81 1xr5 h ILE 4 CO 1.17 0.45 0.31 0.00 -1.05 0.00 0.00 178.15 179.04 1xr5 s ALA 5 N -2.99 -1.85 -0.06 0.16 0.00 -1.19 -5.04 121.76 110.80 1xr5 s ALA 5 Ca 0.04 1.68 0.04 0.00 0.00 0.00 0.00 51.96 53.72 1xr5 s ALA 5 Cb 0.07 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1xr5 s ALA 5 CO 0.74 -0.32 -0.17 1.03 0.00 0.00 0.00 175.76 177.04 1xr5 s ARG 6 N -0.47 1.91 0.34 0.00 0.52 -1.26 -1.32 118.95 118.67 1xr5 s ARG 6 Ca -0.03 -0.59 0.03 0.00 -0.52 0.00 0.00 55.73 54.62 1xr5 s ARG 6 Cb -0.02 -1.60 -0.04 0.00 0.52 0.00 0.00 34.95 33.80 1xr5 s ARG 6 CO 0.02 0.18 0.12 -1.01 0.02 0.00 0.00 175.30 174.63 1xr5 s HIS 7 N 0.23 1.75 0.09 -0.53 3.76 -0.79 -5.01 115.29 114.80 1xr5 s HIS 7 Ca -0.08 -1.22 0.02 0.00 -0.15 0.00 0.00 55.06 53.63 1xr5 s HIS 7 Cb -0.13 -1.08 -0.04 0.00 1.11 0.00 0.00 32.58 32.44 1xr5 s HIS 7 CO 0.03 -0.29 0.18 0.15 -0.85 0.00 0.00 174.74 173.97 1xr5 s LYS 8 N -3.82 3.25 0.46 1.40 1.02 -1.26 -0.59 119.74 120.20 1xr5 s LYS 8 Ca 0.32 -0.57 0.13 0.00 0.02 0.00 0.00 55.97 55.87 1xr5 s LYS 8 Cb 0.05 -2.91 1.05 0.00 -0.52 0.00 0.00 37.83 35.50 1xr5 s LYS 8 CO 0.15 0.57 2.05 -0.39 -0.92 0.00 0.00 175.35 176.82 1xr5 h VAL 9 N 2.11 1.08 -0.77 3.17 -1.51 -1.85 -2.15 116.25 116.34 1xr5 h VAL 9 Ca -0.46 -0.33 0.17 0.00 -1.23 0.00 0.00 66.70 64.85 1xr5 h VAL 9 Cb 1.17 1.06 -0.12 0.00 -2.13 0.00 0.00 31.29 31.27 1xr5 h VAL 9 CO 0.71 0.11 0.19 -0.09 -1.23 0.00 0.00 177.57 177.25 1xr5 h ARG 10 N 0.12 0.26 -0.92 5.19 9.65 -1.94 -0.99 114.38 125.75 1xr5 h ARG 10 Ca 0.03 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 58.95 1xr5 h ARG 10 Cb 0.14 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.61 1xr5 h ARG 10 CO 0.01 0.17 0.60 0.93 2.80 0.00 0.00 179.97 184.48 1xr5 h GLU 11 N 0.26 1.04 -0.12 0.20 5.08 -1.78 -1.73 114.58 117.55 1xr5 h GLU 11 Ca 0.44 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1xr5 h GLU 11 Cb 0.78 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1xr5 h GLU 11 CO -0.54 0.69 0.00 1.19 -1.00 0.00 0.00 179.01 179.35 1xr5 n PHE 12 N -4.48 0.14 -3.30 4.33 3.72 -0.79 -4.99 117.46 112.09 1xr5 n PHE 12 Ca 0.14 -0.07 -0.20 0.00 -0.05 0.00 0.00 57.45 57.26 1xr5 n PHE 12 Cb 0.18 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.73 1xr5 n PHE 12 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1xr5 n ASN 13 N 0.58 -6.49 -3.80 4.37 2.85 -0.48 -5.04 115.26 107.25 1xr5 n ASN 13 Ca 0.17 -0.11 -0.16 0.00 -0.11 0.00 0.00 54.58 54.37 1xr5 n ASN 13 Cb 0.42 -3.39 -0.16 0.00 1.24 0.00 0.00 39.78 37.89 1xr5 n ASN 13 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1xr5 s ILE 14 N -2.38 0.08 0.05 -1.44 1.01 -0.57 -5.01 121.20 112.94 1xr5 s ILE 14 Ca 0.20 0.14 -0.31 0.00 0.00 0.00 0.00 60.65 60.69 1xr5 s ILE 14 Cb -0.03 -0.19 -0.07 0.00 0.01 0.00 0.00 42.46 42.18 1xr5 s ILE 14 CO 0.83 0.12 1.41 0.20 0.00 0.00 0.00 174.94 177.51 1xr5 s ASN 15 N 1.05 6.82 1.26 3.58 0.02 -1.26 -4.32 114.94 122.09 1xr5 s ASN 15 Ca -0.09 2.22 -0.19 0.00 -1.02 0.00 0.00 52.86 53.78 1xr5 s ASN 15 Cb -0.13 -2.57 0.31 0.00 0.02 0.00 0.00 41.25 38.87 1xr5 s ASN 15 CO -0.02 -0.70 1.04 -2.16 0.02 0.00 0.00 177.10 175.27 1xr5 s PRO 16 N 1.90 -1.65 -0.10 -0.60 0.04 -1.26 -4.95 135.00 128.38 1xr5 s PRO 16 Ca 0.65 0.13 0.03 0.00 0.04 0.00 0.00 61.00 61.85 1xr5 s PRO 16 Cb -0.34 -1.53 0.01 0.00 0.04 0.00 0.00 34.50 32.68 1xr5 s PRO 16 CO 0.29 -4.03 -0.19 0.08 0.04 0.00 0.00 177.00 173.18 1xr5 s VAL 17 N -2.71 1.70 -0.97 -0.36 1.01 -0.33 -4.93 120.40 113.82 1xr5 s VAL 17 Ca 0.69 -0.79 -0.24 0.00 0.00 0.00 0.00 61.98 61.65 1xr5 s VAL 17 Cb -0.13 -1.51 0.05 0.00 0.00 0.00 0.00 36.38 34.79 1xr5 s VAL 17 CO 0.58 0.48 1.41 0.21 0.00 0.00 0.00 175.10 177.78 1xr5 s ASN 18 N 0.66 6.45 0.12 3.32 2.47 -1.26 -4.36 114.94 122.34 1xr5 s ASN 18 Ca -0.13 -1.31 -0.31 0.00 0.42 0.00 0.00 52.86 51.53 1xr5 s ASN 18 Cb -0.16 -2.56 -0.09 0.00 -1.45 0.00 0.00 41.25 36.98 1xr5 s ASN 18 CO 0.03 -1.55 1.65 0.28 -3.72 0.00 0.00 177.10 173.79 1xr5 s THR 19 N 5.04 2.75 -0.66 -5.21 -1.32 -1.26 -4.84 115.64 110.14 1xr5 s THR 19 Ca 0.44 0.38 -0.37 0.00 -1.21 0.00 0.00 61.69 60.93 1xr5 s THR 19 Cb -0.01 -3.24 -0.18 0.00 -1.51 0.00 0.00 72.50 67.55 1xr5 s THR 19 CO -0.06 0.01 2.37 -2.65 -2.21 0.00 0.00 174.62 172.08 1xr5 n PRO 20 N 4.92 0.21 -1.41 7.08 -0.02 -1.26 -4.80 135.00 139.72 1xr5 n PRO 20 Ca 0.15 0.04 -0.26 0.00 -2.02 0.00 0.00 63.50 61.41 1xr5 n PRO 20 Cb 0.39 -1.74 0.10 0.00 -0.02 0.00 0.00 33.50 32.23 1xr5 n PRO 20 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1xr5 n THR 21 N 7.05 3.14 -3.68 3.45 5.66 -1.26 -4.90 114.28 123.75 1xr5 n THR 21 Ca 0.56 -3.09 -0.12 0.00 -3.05 0.00 0.00 64.05 58.36 1xr5 n THR 21 Cb 0.06 -0.93 -0.09 0.00 -1.55 0.00 0.00 70.33 67.82 1xr5 n THR 21 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1xr5 s LYS 22 N -3.61 0.60 0.06 1.09 1.02 -1.26 -4.69 119.74 112.95 1xr5 s LYS 22 Ca 0.57 0.86 -0.31 0.00 0.02 0.00 0.00 55.97 57.11 1xr5 s LYS 22 Cb 0.47 0.21 -0.06 0.00 -0.52 0.00 0.00 37.83 37.93 1xr5 s LYS 22 CO 0.02 -0.11 1.28 0.45 -0.92 0.00 0.00 175.35 176.07 1xr5 s SER 23 N 0.78 6.97 0.00 2.83 0.15 -1.26 -4.91 113.70 118.25 1xr5 s SER 23 Ca -0.04 2.10 0.30 0.00 0.70 0.00 0.00 55.95 59.01 1xr5 s SER 23 Cb -0.05 -2.58 1.56 0.00 -1.71 0.00 0.00 66.02 63.24 1xr5 s SER 23 CO -0.06 -0.57 2.04 0.29 1.20 0.00 0.00 173.24 176.15 1xr5 n LYS 24 N 4.25 0.89 -2.79 5.44 5.02 -1.26 -4.83 118.16 124.88 1xr5 n LYS 24 Ca 0.10 -0.18 -0.42 0.00 -2.02 0.00 0.00 58.31 55.79 1xr5 n LYS 24 Cb 0.45 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 1xr5 n LYS 24 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xr5 s LEU 25 N -2.23 4.07 0.31 -0.35 1.43 -1.26 -4.38 118.68 116.27 1xr5 s LEU 25 Ca 0.38 1.09 0.10 0.00 -1.03 0.00 0.00 54.13 54.68 1xr5 s LEU 25 Cb 0.21 -3.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.05 1xr5 s LEU 25 CO 0.41 -0.63 -0.08 -1.00 0.23 0.00 0.00 176.35 175.28 1xr5 s HIS 26 N 3.08 2.46 0.11 0.29 3.76 -0.67 -4.93 115.29 119.39 1xr5 s HIS 26 Ca 0.39 -0.38 -0.31 0.00 -0.15 0.00 0.00 55.06 54.61 1xr5 s HIS 26 Cb -0.15 -1.25 -0.08 0.00 1.11 0.00 0.00 32.58 32.22 1xr5 s HIS 26 CO 0.09 0.60 1.38 -2.14 -0.85 0.00 0.00 174.74 173.82 1xr5 s PRO 27 N -3.62 4.32 1.05 8.40 0.02 -1.26 -1.11 135.00 142.80 1xr5 s PRO 27 Ca 0.32 2.06 -0.17 0.00 0.02 0.00 0.00 61.00 63.23 1xr5 s PRO 27 Cb -0.02 -3.26 0.23 0.00 0.02 0.00 0.00 34.50 31.47 1xr5 s PRO 27 CO 0.17 -0.43 1.24 -1.54 -0.33 0.00 0.00 177.00 176.12 1xr5 s SER 28 N 1.11 2.31 0.30 2.53 1.04 -0.66 -4.80 113.70 115.54 1xr5 s SER 28 Ca 0.64 0.40 0.25 0.00 0.48 0.00 0.00 55.95 57.73 1xr5 s SER 28 Cb -0.36 -0.52 1.02 0.00 0.10 0.00 0.00 66.02 66.26 1xr5 s SER 28 CO 0.30 -3.24 1.76 -0.37 0.98 0.00 0.00 173.24 172.67 1xr5 h VAL 29 N -1.99 0.00 -0.18 5.02 -1.51 -1.87 -2.87 116.25 112.85 1xr5 h VAL 29 Ca -0.45 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 1xr5 h VAL 29 Cb 1.26 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1xr5 h VAL 29 CO 0.37 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 177.20 1xr5 n PHE 30 N -2.39 0.24 -0.29 5.19 3.72 -1.26 -4.17 117.46 118.50 1xr5 n PHE 30 Ca 0.02 -0.12 -0.05 0.00 -0.05 0.00 0.00 57.45 57.26 1xr5 n PHE 30 Cb 0.26 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.90 1xr5 n PHE 30 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1xr5 h TYR 31 N 1.84 1.18 0.00 1.38 -0.00 -1.69 -2.51 116.97 117.17 1xr5 h TYR 31 Ca 0.00 -0.07 -0.20 0.00 -0.00 0.00 0.00 58.73 58.46 1xr5 h TYR 31 Cb 0.41 -0.36 -0.03 0.00 -0.00 0.00 0.00 36.73 36.74 1xr5 h TYR 31 CO 0.12 0.87 -1.18 -0.44 -0.00 0.00 0.00 178.16 177.53 1xr5 h ASP 32 N 1.16 0.00 1.08 -2.11 3.32 -1.84 -3.38 116.42 114.64 1xr5 h ASP 32 Ca 0.27 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.17 1xr5 h ASP 32 Cb 0.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1xr5 h ASP 32 CO -0.03 0.82 -0.97 -0.37 -1.72 0.00 0.00 179.24 176.97 1xr5 h VAL 33 N 0.00 0.83 -2.21 -1.35 -1.51 -1.75 -3.46 116.25 106.80 1xr5 h VAL 33 Ca -0.11 -2.31 -0.57 0.00 -1.23 0.00 0.00 66.70 62.48 1xr5 h VAL 33 Cb 1.73 2.33 -0.10 0.00 -2.13 0.00 0.00 31.29 33.11 1xr5 h VAL 33 CO 0.09 0.47 -0.67 -0.36 -1.23 0.00 0.00 177.57 175.87 1xr5 s PHE 34 N -2.90 2.61 0.14 5.19 0.40 -0.96 -5.06 117.98 117.40 1xr5 s PHE 34 Ca 0.01 -0.24 -0.04 0.00 -0.60 0.00 0.00 56.93 56.05 1xr5 s PHE 34 Cb 0.08 -1.15 -0.05 0.00 0.51 0.00 0.00 43.02 42.41 1xr5 s PHE 34 CO 0.78 0.64 0.36 -1.25 0.70 0.00 0.00 175.22 176.45 1xr5 s PRO 35 N -3.63 3.59 -0.26 0.24 0.04 -1.26 -4.81 135.00 128.90 1xr5 s PRO 35 Ca 0.31 -0.14 -0.38 0.00 0.04 0.00 0.00 61.00 60.83 1xr5 s PRO 35 Cb -0.06 -2.87 0.15 0.00 0.04 0.00 0.00 34.50 31.76 1xr5 s PRO 35 CO 0.19 0.48 1.36 0.20 0.04 0.00 0.00 177.00 179.27 1xr5 s GLY 36 N -2.48 -0.23 -0.08 0.56 0.00 -1.26 -4.35 107.32 99.48 1xr5 s GLY 36 Ca 0.40 1.81 -0.11 0.00 0.00 0.00 0.00 44.72 46.82 1xr5 s GLY 36 CO 0.25 0.59 -0.22 1.22 0.00 0.00 0.00 173.10 174.95 1xr5 n ASP 37 N -0.05 1.59 -1.63 1.64 8.00 -1.26 -5.05 116.55 119.79 1xr5 n ASP 37 Ca 0.04 0.25 -0.23 0.00 0.71 0.00 0.00 54.79 55.57 1xr5 n ASP 37 Cb 0.57 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 1xr5 n ASP 37 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1xr5 n LYS 38 N -4.07 0.00 -4.08 -1.24 5.02 -1.26 -4.81 118.16 107.72 1xr5 n LYS 38 Ca -0.11 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.94 1xr5 n LYS 38 Cb 0.36 -0.53 -0.07 0.00 -0.02 0.00 0.00 35.03 34.77 1xr5 n LYS 38 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xr5 s GLU 39 N 0.59 2.25 0.74 1.97 2.02 -0.79 -4.83 118.70 120.66 1xr5 s GLU 39 Ca 0.35 -1.82 -0.15 0.00 0.02 0.00 0.00 54.97 53.37 1xr5 s GLU 39 Cb -0.49 -2.02 0.04 0.00 0.10 0.00 0.00 34.13 31.76 1xr5 s GLU 39 CO 0.25 -0.13 1.23 -0.35 0.02 0.00 0.00 175.26 176.28 1xr5 n PRO 40 N -1.27 0.58 -1.31 0.39 -0.04 -1.26 0.05 135.00 132.14 1xr5 n PRO 40 Ca -0.01 0.27 -0.30 0.00 -0.04 0.00 0.00 63.50 63.42 1xr5 n PRO 40 Cb 0.64 -2.46 0.10 0.00 -0.04 0.00 0.00 33.50 31.74 1xr5 n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xr5 s ALA 41 N -1.80 2.06 -0.14 0.55 0.00 -0.18 -4.69 121.76 117.56 1xr5 s ALA 41 Ca 0.77 0.07 -0.26 0.00 0.00 0.00 0.00 51.96 52.55 1xr5 s ALA 41 Cb -0.33 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1xr5 s ALA 41 CO 0.46 -1.90 0.83 0.08 0.00 0.00 0.00 175.76 175.23 1xr5 s VAL 42 N -2.96 4.90 -0.60 0.00 1.01 -1.26 -4.89 120.40 116.60 1xr5 s VAL 42 Ca 0.61 1.66 0.05 0.00 0.00 0.00 0.00 61.98 64.30 1xr5 s VAL 42 Cb -0.17 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.10 1xr5 s VAL 42 CO 0.56 0.07 0.60 0.18 0.00 0.00 0.00 175.10 176.51 1xr5 n LEU 43 N 4.89 1.27 -3.89 3.92 4.32 -1.26 -4.76 117.00 121.49 1xr5 n LEU 43 Ca 0.04 -0.93 -0.11 0.00 -0.02 0.00 0.00 56.01 54.99 1xr5 n LEU 43 Cb 0.49 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.19 1xr5 n LEU 43 CO 0.48 0.27 -0.23 -0.55 -1.22 0.00 0.00 177.39 176.15 1xr5 s SER 44 N -0.57 0.05 0.53 -1.43 0.15 -1.26 -4.66 113.70 106.51 1xr5 s SER 44 Ca 0.06 -0.19 0.31 0.00 0.70 0.00 0.00 55.95 56.82 1xr5 s SER 44 Cb 0.04 0.19 1.42 0.00 -1.71 0.00 0.00 66.02 65.96 1xr5 s SER 44 CO 0.08 -0.29 2.02 0.44 1.20 0.00 0.00 173.24 176.69 1xr5 h ASP 45 N 4.67 0.00 0.14 5.45 5.19 -1.97 -3.14 116.42 126.77 1xr5 h ASP 45 Ca -0.30 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 55.81 1xr5 h ASP 45 Cb 1.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1xr5 h ASP 45 CO 0.41 0.09 -1.52 0.78 -3.12 0.00 0.00 179.24 175.88 1xr5 h ASN 46 N 0.00 0.46 0.00 6.45 -0.26 -1.99 -3.46 115.58 116.78 1xr5 h ASN 46 Ca -0.00 -0.89 0.00 0.00 -0.56 0.00 0.00 56.30 54.85 1xr5 h ASN 46 Cb 0.45 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.56 1xr5 h ASN 46 CO 0.01 1.68 0.00 -0.67 -1.06 0.00 0.00 177.43 177.39 1xr5 n ASP 47 N -3.81 0.00 -0.17 5.81 -0.08 -1.19 -4.72 116.55 112.40 1xr5 n ASP 47 Ca -0.25 0.00 0.29 0.00 -1.51 0.00 0.00 54.79 53.32 1xr5 n ASP 47 Cb 0.96 0.00 0.61 0.00 2.34 0.00 0.00 41.12 45.03 1xr5 n ASP 47 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1xr5 h PRO 48 N 0.00 0.00 -0.23 -0.67 0.11 -1.92 -1.64 132.00 127.65 1xr5 h PRO 48 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1xr5 h PRO 48 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1xr5 h PRO 48 CO 0.00 0.00 0.00 2.89 -0.21 0.00 0.00 178.00 180.68 1xr5 n ARG 49 N -3.56 1.68 -2.96 1.05 1.85 -1.26 -4.86 116.66 108.60 1xr5 n ARG 49 Ca 0.20 -1.04 -0.41 0.00 -1.00 0.00 0.00 57.85 55.60 1xr5 n ARG 49 Cb 1.24 -1.30 -0.05 0.00 -1.05 0.00 0.00 32.46 31.30 1xr5 n ARG 49 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1xr5 s LEU 50 N -1.26 4.14 -0.42 2.89 2.96 -0.62 -4.24 118.68 122.13 1xr5 s LEU 50 Ca 0.26 1.04 0.05 0.00 -0.22 0.00 0.00 54.13 55.25 1xr5 s LEU 50 Cb 0.13 -3.12 0.49 0.00 0.50 0.00 0.00 46.19 44.19 1xr5 s LEU 50 CO 0.19 -0.39 1.59 -0.62 -1.32 0.00 0.00 176.35 175.80 1xr5 n GLU 51 N 5.39 2.67 -3.57 1.98 1.02 -1.02 -5.01 120.64 122.10 1xr5 n GLU 51 Ca 0.03 -3.51 -0.08 0.00 -0.02 0.00 0.00 57.16 53.57 1xr5 n GLU 51 Cb 0.49 -2.13 -0.04 0.00 -0.02 0.00 0.00 31.44 29.74 1xr5 n GLU 51 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xr5 s VAL 52 N -4.15 0.00 -0.00 2.62 1.01 -1.26 -4.92 120.40 113.70 1xr5 s VAL 52 Ca 0.54 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 1xr5 s VAL 52 Cb 0.45 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.77 1xr5 s VAL 52 CO 0.02 0.00 1.48 -0.75 0.00 0.00 0.00 175.10 175.85 1xr5 s LYS 53 N -1.72 4.25 0.11 2.72 2.36 -1.26 -4.92 119.74 121.27 1xr5 s LYS 53 Ca 0.02 2.06 -0.13 0.00 -2.55 0.00 0.00 55.97 55.37 1xr5 s LYS 53 Cb -0.01 -3.65 -0.09 0.00 -1.05 0.00 0.00 37.83 33.03 1xr5 s LYS 53 CO -0.03 -0.66 1.41 1.25 1.55 0.00 0.00 175.35 178.87 1xr5 h LEU 54 N 8.76 0.86 -0.31 5.43 6.46 -1.94 -2.43 115.31 132.14 1xr5 h LEU 54 Ca -0.38 -0.51 0.07 0.00 -0.12 0.00 0.00 57.88 56.94 1xr5 h LEU 54 Cb 1.18 -0.24 -0.08 0.00 -0.73 0.00 0.00 40.66 40.79 1xr5 h LEU 54 CO 0.92 1.20 -0.21 0.74 -0.62 0.00 0.00 178.44 180.46 1xr5 h THR 55 N 0.54 0.42 -0.49 1.05 2.02 -1.96 -0.19 112.91 114.31 1xr5 h THR 55 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 1xr5 h THR 55 Cb 1.01 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1xr5 h THR 55 CO 0.10 0.00 0.22 -0.33 0.37 0.00 0.00 175.52 175.87 1xr5 h GLU 56 N -0.18 0.72 -0.04 6.66 5.08 -1.97 -3.23 114.58 121.61 1xr5 h GLU 56 Ca 0.16 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1xr5 h GLU 56 Cb 0.43 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1xr5 h GLU 56 CO -0.42 0.62 -0.15 0.77 -1.00 0.00 0.00 179.01 178.83 1xr5 h SER 57 N 0.65 -0.46 -0.18 1.42 0.02 -0.88 -0.21 113.55 113.91 1xr5 h SER 57 Ca 0.17 0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.24 1xr5 h SER 57 Cb 0.16 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1xr5 h SER 57 CO -0.02 -0.21 0.17 -0.07 -1.14 0.00 0.00 176.83 175.56 1xr5 h LEU 58 N -0.24 0.00 -1.76 5.07 -0.00 -1.07 -2.70 115.31 114.61 1xr5 h LEU 58 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1xr5 h LEU 58 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1xr5 h LEU 58 CO -0.18 0.00 0.00 0.49 -0.00 0.00 0.00 178.44 178.75 1xr5 n PHE 59 N -3.97 0.04 0.22 1.13 3.72 -1.08 -4.61 117.46 112.90 1xr5 n PHE 59 Ca 0.01 -0.18 0.10 0.00 -0.05 0.00 0.00 57.45 57.34 1xr5 n PHE 59 Cb 0.30 -0.02 0.65 0.00 -0.94 0.00 0.00 39.48 39.47 1xr5 n PHE 59 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1xr5 h SER 60 N 0.47 0.00 -0.82 4.37 4.64 -0.69 -2.53 113.55 119.00 1xr5 h SER 60 Ca 0.00 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.56 1xr5 h SER 60 Cb 0.26 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 1xr5 h SER 60 CO 0.00 0.00 0.76 0.07 -0.87 0.00 0.00 176.83 176.79 1xr5 h LYS 61 N 0.00 0.00 -5.26 4.77 2.10 -1.81 -3.24 116.57 113.13 1xr5 h LYS 61 Ca 0.04 0.00 -0.71 0.00 -2.00 0.00 0.00 60.65 57.98 1xr5 h LYS 61 Cb 0.17 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 31.37 1xr5 h LYS 61 CO -0.00 0.00 1.77 0.66 -2.00 0.00 0.00 179.45 179.88 1xr5 n TYR 62 N -3.76 4.82 -0.03 0.07 4.01 -0.95 -4.63 117.16 116.67 1xr5 n TYR 62 Ca 0.17 -3.11 -0.12 0.00 -0.16 0.00 0.00 57.90 54.67 1xr5 n TYR 62 Cb 1.04 -2.40 -0.07 0.00 -0.31 0.00 0.00 39.34 37.60 1xr5 n TYR 62 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1xr5 h LYS 63 N 7.32 0.19 0.00 -0.72 3.64 -1.67 -3.44 116.57 121.89 1xr5 h LYS 63 Ca 0.38 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1xr5 h LYS 63 Cb 0.87 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1xr5 h LYS 63 CO 1.35 0.49 0.00 0.41 -2.27 0.00 0.00 179.45 179.43 1xr5 n GLY 64 N -0.15 1.84 3.15 5.01 0.00 -1.25 -5.02 105.19 108.77 1xr5 n GLY 64 Ca -0.06 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 45.90 1xr5 n GLY 64 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xr5 s ASN 65 N 2.00 -0.35 0.07 1.61 2.47 -1.26 -1.70 114.94 117.78 1xr5 s ASN 65 Ca 0.00 0.22 -0.30 0.00 0.42 0.00 0.00 52.86 53.20 1xr5 s ASN 65 Cb 0.00 1.29 -0.05 0.00 -1.45 0.00 0.00 41.25 41.04 1xr5 s ASN 65 CO 0.00 -0.07 1.00 -0.69 -3.72 0.00 0.00 177.10 173.62 1xr5 s VAL 66 N 2.96 4.55 -0.28 -5.21 1.01 -1.26 -5.01 120.40 117.17 1xr5 s VAL 66 Ca -0.04 1.99 -0.01 0.00 0.00 0.00 0.00 61.98 63.92 1xr5 s VAL 66 Cb -0.10 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 32.05 1xr5 s VAL 66 CO -0.10 0.24 -0.04 0.21 0.00 0.00 0.00 175.10 175.42 1xr5 s ASN 67 N 0.42 4.62 0.12 3.32 2.47 -1.26 -4.55 114.94 120.09 1xr5 s ASN 67 Ca 0.50 -1.14 -0.05 0.00 0.42 0.00 0.00 52.86 52.58 1xr5 s ASN 67 Cb -0.23 -1.67 -0.02 0.00 -1.45 0.00 0.00 41.25 37.87 1xr5 s ASN 67 CO 0.30 -0.20 0.15 -0.89 -3.72 0.00 0.00 177.10 172.74 1xr5 s THR 68 N 1.26 0.11 0.49 -5.21 2.01 -1.26 -5.15 115.64 107.89 1xr5 s THR 68 Ca -0.04 -1.56 -0.10 0.00 0.31 0.00 0.00 61.69 60.30 1xr5 s THR 68 Cb -0.19 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.51 1xr5 s THR 68 CO -0.03 -0.51 0.87 -1.61 -0.69 0.00 0.00 174.62 172.64 1xr5 s GLU 69 N -3.96 3.71 0.10 4.92 8.01 -1.26 -4.69 118.70 125.52 1xr5 s GLU 69 Ca 0.15 0.54 -0.33 0.00 0.01 0.00 0.00 54.97 55.34 1xr5 s GLU 69 Cb 0.05 -2.28 -0.12 0.00 -4.31 0.00 0.00 34.13 27.47 1xr5 s GLU 69 CO -0.03 -0.23 1.73 -0.35 0.01 0.00 0.00 175.26 176.39 1xr5 n PRO 70 N -1.90 2.38 -0.78 0.39 -0.04 -1.26 -4.96 135.00 128.83 1xr5 n PRO 70 Ca 0.03 0.86 -0.33 0.00 -0.04 0.00 0.00 63.50 64.03 1xr5 n PRO 70 Cb 0.54 -2.69 0.13 0.00 -0.04 0.00 0.00 33.50 31.44 1xr5 n PRO 70 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1xr5 n THR 71 N 4.20 0.00 -0.10 0.52 -1.04 -1.26 -4.78 114.28 111.82 1xr5 n THR 71 Ca 0.18 -0.21 -0.09 0.00 -2.04 0.00 0.00 64.05 61.90 1xr5 n THR 71 Cb 0.32 -0.62 -0.01 0.00 -1.82 0.00 0.00 70.33 68.19 1xr5 n THR 71 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1xr5 h GLU 72 N -1.64 0.45 -0.78 -2.82 4.81 -1.99 -1.64 114.58 110.96 1xr5 h GLU 72 Ca -0.45 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1xr5 h GLU 72 Cb 1.29 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 1xr5 h GLU 72 CO 0.35 0.37 0.45 -0.91 -0.73 0.00 0.00 179.01 178.54 1xr5 h ASN 73 N 0.42 0.96 -0.66 1.04 2.35 -1.95 -2.07 115.58 115.67 1xr5 h ASN 73 Ca 0.12 -0.08 0.10 0.00 -0.55 0.00 0.00 56.30 55.89 1xr5 h ASN 73 Cb 0.04 -0.24 -0.07 0.00 0.05 0.00 0.00 38.32 38.09 1xr5 h ASN 73 CO -0.02 0.76 0.28 -0.03 -1.65 0.00 0.00 177.43 176.77 1xr5 h MET 74 N 1.08 0.47 -0.25 0.81 4.05 -1.85 -2.55 114.93 116.70 1xr5 h MET 74 Ca 0.28 -0.03 -0.12 0.00 -0.28 0.00 0.00 59.70 59.55 1xr5 h MET 74 Cb -0.01 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.68 1xr5 h MET 74 CO -0.05 0.31 -0.34 -0.07 0.23 0.00 0.00 176.91 176.99 1xr5 h LEU 75 N 0.48 0.55 -0.45 3.39 -0.00 -0.77 -2.51 115.31 116.00 1xr5 h LEU 75 Ca 0.33 -0.22 -0.00 0.00 -0.00 0.00 0.00 57.88 58.00 1xr5 h LEU 75 Cb 0.40 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.89 1xr5 h LEU 75 CO -0.30 0.85 0.28 0.58 -0.00 0.00 0.00 178.44 179.85 1xr5 h VAL 76 N 0.45 1.13 -0.39 1.22 2.07 -1.14 -2.90 116.25 116.70 1xr5 h VAL 76 Ca 0.05 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1xr5 h VAL 76 Cb 0.80 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1xr5 h VAL 76 CO 0.07 0.13 0.09 0.00 0.02 0.00 0.00 177.57 177.88 1xr5 h ALA 77 N 1.14 1.43 -0.04 1.67 0.00 -1.04 -0.72 119.26 121.70 1xr5 h ALA 77 Ca 0.16 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1xr5 h ALA 77 Cb -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1xr5 h ALA 77 CO -0.03 0.41 -0.89 -0.39 0.00 0.00 0.00 179.25 178.35 1xr5 h VAL 78 N 0.56 1.36 -0.17 0.00 -1.51 -1.43 0.13 116.25 115.20 1xr5 h VAL 78 Ca 0.13 -2.29 -0.12 0.00 -1.23 0.00 0.00 66.70 63.19 1xr5 h VAL 78 Cb 0.22 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.66 1xr5 h VAL 78 CO -0.00 0.69 -0.40 0.44 -1.23 0.00 0.00 177.57 177.07 1xr5 h ASP 79 N 0.30 0.40 -0.04 4.19 3.32 -1.25 0.11 116.42 123.45 1xr5 h ASP 79 Ca -0.07 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.71 1xr5 h ASP 79 Cb 1.52 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 40.96 1xr5 h ASP 79 CO 0.16 0.76 -0.34 -0.74 -1.72 0.00 0.00 179.24 177.37 1xr5 h HIS 80 N 0.32 0.42 -0.43 4.55 2.76 -1.11 -1.46 115.15 120.20 1xr5 h HIS 80 Ca 0.03 -0.20 -0.11 0.00 -2.20 0.00 0.00 60.37 57.89 1xr5 h HIS 80 Cb 0.84 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.73 1xr5 h HIS 80 CO 0.02 0.96 -0.15 -0.92 -1.30 0.00 0.00 177.93 176.54 1xr5 h TYR 81 N -0.23 0.99 -0.64 5.26 3.20 -0.94 -2.19 116.97 122.42 1xr5 h TYR 81 Ca -0.03 -0.23 -0.09 0.00 3.14 0.00 0.00 58.73 61.52 1xr5 h TYR 81 Cb 1.02 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 1xr5 h TYR 81 CO 0.14 0.99 0.05 0.00 -1.64 0.00 0.00 178.16 177.70 1xr5 h ALA 82 N 0.85 0.86 -0.08 1.82 0.00 -0.88 -2.47 119.26 119.36 1xr5 h ALA 82 Ca 0.10 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.75 1xr5 h ALA 82 Cb 0.70 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1xr5 h ALA 82 CO 0.05 0.67 -0.50 0.78 0.00 0.00 0.00 179.25 180.25 1xr5 h GLY 83 N 1.01 -0.98 -0.10 0.00 0.00 -1.05 -0.62 103.07 101.33 1xr5 h GLY 83 Ca 0.19 0.62 0.22 0.00 0.00 0.00 0.00 47.33 48.36 1xr5 h GLY 83 CO 0.02 -0.22 0.52 1.46 0.00 0.00 0.00 176.54 178.33 1xr5 h GLN 84 N -0.60 0.54 0.00 4.80 4.20 -1.30 -1.95 115.11 120.80 1xr5 h GLN 84 Ca 0.04 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 1xr5 h GLN 84 Cb 0.69 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1xr5 h GLN 84 CO -0.39 0.36 -0.38 -0.07 -0.67 0.00 0.00 178.83 177.67 1xr5 h LEU 85 N 0.55 0.00 -0.64 1.46 3.38 -0.80 -3.01 115.31 116.25 1xr5 h LEU 85 Ca 0.60 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.46 1xr5 h LEU 85 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1xr5 h LEU 85 CO -0.47 0.38 -0.06 -0.07 0.09 0.00 0.00 178.44 178.30 1xr5 h LEU 86 N 0.00 0.99 -2.03 1.67 3.38 -0.34 -3.05 115.31 115.92 1xr5 h LEU 86 Ca -0.00 -0.30 0.13 0.00 0.09 0.00 0.00 57.88 57.79 1xr5 h LEU 86 Cb 0.98 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1xr5 h LEU 86 CO 0.05 1.07 0.34 0.28 0.09 0.00 0.00 178.44 180.28 1xr5 h SER 87 N 0.90 0.00 0.89 -0.43 0.02 -1.46 -0.07 113.55 113.40 1xr5 h SER 87 Ca 0.15 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1xr5 h SER 87 Cb 0.61 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 1xr5 h SER 87 CO 0.04 0.00 -0.02 0.25 -1.14 0.00 0.00 176.83 175.96 1xr5 h LEU 88 N 0.00 0.00 -2.86 5.07 5.85 -1.63 -3.48 115.31 118.26 1xr5 h LEU 88 Ca 0.21 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.75 1xr5 h LEU 88 Cb 0.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1xr5 h LEU 88 CO -0.00 0.02 -0.53 0.47 -0.34 0.00 0.00 178.44 178.06 1xr5 n ASP 89 N -3.13 -6.78 -4.74 1.25 9.92 -0.04 -4.97 116.55 108.07 1xr5 n ASP 89 Ca 0.00 -0.21 -0.39 0.00 -0.53 0.00 0.00 54.79 53.66 1xr5 n ASP 89 Cb 0.29 -3.93 -0.05 0.00 -0.64 0.00 0.00 41.12 36.78 1xr5 n ASP 89 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1xr5 s ILE 90 N -2.75 5.01 0.21 0.53 1.01 -1.26 -5.03 121.20 118.92 1xr5 s ILE 90 Ca 0.09 1.29 -0.31 0.00 0.00 0.00 0.00 60.65 61.72 1xr5 s ILE 90 Cb -0.02 -3.96 -0.10 0.00 0.01 0.00 0.00 42.46 38.38 1xr5 s ILE 90 CO 0.81 0.33 1.56 -2.84 0.00 0.00 0.00 174.94 174.79 1xr5 s PRO 91 N 0.37 4.20 0.00 2.79 0.02 -1.26 -4.91 135.00 136.22 1xr5 s PRO 91 Ca 0.33 2.41 0.26 0.00 0.02 0.00 0.00 61.00 64.02 1xr5 s PRO 91 Cb -0.18 -3.11 0.74 0.00 0.02 0.00 0.00 34.50 31.97 1xr5 s PRO 91 CO 0.17 -0.58 1.56 0.25 -0.33 0.00 0.00 177.00 178.07 1xr5 n THR 92 N 3.26 0.00 -1.84 0.99 -2.24 -1.26 -4.63 114.28 108.55 1xr5 n THR 92 Ca 0.11 -0.31 -0.39 0.00 -2.27 0.00 0.00 64.05 61.20 1xr5 n THR 92 Cb 0.38 0.80 0.03 0.00 -2.10 0.00 0.00 70.33 69.44 1xr5 n THR 92 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xr5 s SER 93 N -2.07 5.53 0.38 3.42 0.15 -1.26 -4.82 113.70 115.02 1xr5 s SER 93 Ca 0.33 2.76 -0.02 0.00 0.70 0.00 0.00 55.95 59.72 1xr5 s SER 93 Cb 0.20 -2.64 -0.04 0.00 -1.71 0.00 0.00 66.02 61.84 1xr5 s SER 93 CO 0.35 -1.39 0.62 -1.83 1.20 0.00 0.00 173.24 172.19 1xr5 s GLU 94 N -2.75 3.53 0.68 5.44 -1.05 -1.26 -4.63 118.70 118.65 1xr5 s GLU 94 Ca 0.68 -0.12 -0.06 0.00 -0.15 0.00 0.00 54.97 55.32 1xr5 s GLU 94 Cb -0.40 -2.58 0.06 0.00 -0.44 0.00 0.00 34.13 30.77 1xr5 s GLU 94 CO 0.49 0.06 0.99 -0.51 0.95 0.00 0.00 175.26 177.23 1xr5 s LEU 95 N -4.31 2.87 -0.06 1.83 1.02 0.18 -4.97 118.68 115.23 1xr5 s LEU 95 Ca 0.43 0.42 -0.04 0.00 0.02 0.00 0.00 54.13 54.95 1xr5 s LEU 95 Cb -0.10 -3.10 -0.04 0.00 0.02 0.00 0.00 46.19 42.98 1xr5 s LEU 95 CO 0.38 -1.53 0.12 -0.89 0.02 0.00 0.00 176.35 174.44 1xr5 s THR 96 N -3.19 5.14 0.35 5.49 2.01 -1.26 -4.73 115.64 119.45 1xr5 s THR 96 Ca 0.60 -0.08 0.29 0.00 0.31 0.00 0.00 61.69 62.81 1xr5 s THR 96 Cb -0.11 -3.29 0.44 0.00 0.01 0.00 0.00 72.50 69.55 1xr5 s THR 96 CO 0.44 0.49 1.11 0.18 -0.69 0.00 0.00 174.62 176.15 1xr5 n LEU 97 N 1.60 0.08 0.01 4.42 4.77 -1.26 0.29 117.00 126.91 1xr5 n LEU 97 Ca -0.16 0.85 -0.20 0.00 -0.03 0.00 0.00 56.01 56.46 1xr5 n LEU 97 Cb 0.54 -0.42 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 1xr5 n LEU 97 CO 0.35 -0.89 -0.10 0.50 -1.33 0.00 0.00 177.39 175.92 1xr5 h LYS 98 N 0.00 0.23 0.86 3.23 3.64 -1.94 -2.76 116.57 119.83 1xr5 h LYS 98 Ca 0.65 -0.39 -0.04 0.00 -1.27 0.00 0.00 60.65 59.60 1xr5 h LYS 98 Cb 2.35 0.14 0.01 0.00 -0.41 0.00 0.00 32.23 34.32 1xr5 h LYS 98 CO -0.17 1.18 -0.41 0.93 -2.27 0.00 0.00 179.45 178.71 1xr5 h GLU 99 N -0.47 -1.11 -0.94 1.90 5.08 -0.43 -2.03 114.58 116.59 1xr5 h GLU 99 Ca -0.19 0.08 0.24 0.00 -1.00 0.00 0.00 59.36 58.48 1xr5 h GLU 99 Cb 1.58 0.25 -0.06 0.00 0.50 0.00 0.00 28.75 31.02 1xr5 h GLU 99 CO 0.08 -0.74 0.64 0.00 -1.00 0.00 0.00 179.01 177.99 1xr5 h ALA 100 N -1.39 2.43 -0.01 3.43 0.00 -0.59 0.46 119.26 123.58 1xr5 h ALA 100 Ca -0.12 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 1xr5 h ALA 100 Cb 0.88 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.70 1xr5 h ALA 100 CO 0.19 -0.73 -0.47 -0.07 0.00 0.00 0.00 179.25 178.17 1xr5 h LEU 101 N 0.27 0.43 -2.83 0.00 -0.00 -1.42 -3.40 115.31 108.38 1xr5 h LEU 101 Ca 0.49 -0.75 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 1xr5 h LEU 101 Cb 1.44 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.96 1xr5 h LEU 101 CO -0.14 1.12 -0.05 -1.22 -0.00 0.00 0.00 178.44 178.15 1xr5 n TYR 102 N -4.32 0.00 -0.09 1.13 4.02 -0.77 -3.13 117.16 114.00 1xr5 n TYR 102 Ca -0.10 -0.74 0.01 0.00 -0.01 0.00 0.00 57.90 57.07 1xr5 n TYR 102 Cb 0.60 -0.11 -0.01 0.00 -0.02 0.00 0.00 39.34 39.81 1xr5 n TYR 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xr5 n GLY 103 N -1.00 -2.67 1.81 2.72 0.00 0.16 -4.09 105.19 102.12 1xr5 n GLY 103 Ca 0.10 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 1xr5 n GLY 103 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xr5 n VAL 104 N -2.13 0.00 -2.28 1.61 0.24 -1.25 -4.67 118.33 109.85 1xr5 n VAL 104 Ca -0.01 -1.24 -0.43 0.00 -2.04 0.00 0.00 64.34 60.63 1xr5 n VAL 104 Cb 0.04 0.35 -0.02 0.00 -1.47 0.00 0.00 33.84 32.74 1xr5 n VAL 104 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1xr5 s ASP 105 N -2.37 6.23 0.00 -1.34 -4.77 -1.26 -2.19 116.67 110.97 1xr5 s ASP 105 Ca 0.06 0.90 0.00 0.00 -3.30 0.00 0.00 52.55 50.21 1xr5 s ASP 105 Cb 0.00 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.30 1xr5 s ASP 105 CO 0.04 -1.51 0.00 0.61 0.70 0.00 0.00 175.17 175.01 1xr5 n GLY 106 N 5.17 3.64 3.96 2.12 0.00 -1.26 -5.06 105.19 113.75 1xr5 n GLY 106 Ca 0.18 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 1xr5 n GLY 106 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xr5 s LEU 107 N 0.00 3.79 -0.06 0.99 2.01 -0.93 -4.78 118.68 119.70 1xr5 s LEU 107 Ca 0.00 0.17 0.03 0.00 0.01 0.00 0.00 54.13 54.34 1xr5 s LEU 107 Cb 0.00 -3.06 0.00 0.00 0.01 0.00 0.00 46.19 43.15 1xr5 s LEU 107 CO 0.00 -0.57 -0.16 -1.61 1.01 0.00 0.00 176.35 175.02 1xr5 s GLU 108 N -4.41 2.00 0.08 1.70 0.41 -1.26 -3.97 118.70 113.26 1xr5 s GLU 108 Ca 0.46 -0.57 -0.36 0.00 -0.41 0.00 0.00 54.97 54.08 1xr5 s GLU 108 Cb -0.10 -1.64 -0.18 0.00 -1.78 0.00 0.00 34.13 30.43 1xr5 s GLU 108 CO 0.36 0.13 1.06 -0.35 -0.49 0.00 0.00 175.26 175.97 1xr5 n PRO 109 N 3.53 0.45 -1.53 0.39 -0.04 -1.26 -4.65 135.00 131.89 1xr5 n PRO 109 Ca -0.20 0.16 -0.50 0.00 -0.04 0.00 0.00 63.50 62.92 1xr5 n PRO 109 Cb 0.52 -1.62 -0.04 0.00 -0.04 0.00 0.00 33.50 32.32 1xr5 n PRO 109 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1xr5 n ILE 110 N 1.48 1.04 -2.05 0.52 -5.35 -1.18 -4.79 119.36 109.02 1xr5 n ILE 110 Ca 0.18 -0.26 -0.42 0.00 -0.27 0.00 0.00 62.75 61.98 1xr5 n ILE 110 Cb 0.16 -0.53 -0.03 0.00 -1.74 0.00 0.00 39.64 37.50 1xr5 n ILE 110 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1xr5 s ASP 111 N -0.24 6.70 -0.18 7.28 2.15 -1.26 -4.88 116.67 126.24 1xr5 s ASP 111 Ca 0.73 2.31 0.05 0.00 0.43 0.00 0.00 52.55 56.07 1xr5 s ASP 111 Cb -0.93 -2.56 0.39 0.00 -0.30 0.00 0.00 42.92 39.52 1xr5 s ASP 111 CO 0.54 -0.83 1.31 -0.38 -0.17 0.00 0.00 175.17 175.65 1xr5 n ILE 112 N 4.79 1.79 -0.02 4.11 5.41 -1.26 -3.12 119.36 131.06 1xr5 n ILE 112 Ca 0.15 -0.86 0.01 0.00 1.00 0.00 0.00 62.75 63.05 1xr5 n ILE 112 Cb 0.42 -0.56 -0.07 0.00 -0.71 0.00 0.00 39.64 38.72 1xr5 n ILE 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1xr5 n THR 113 N -0.02 0.21 -1.61 1.39 -1.04 -1.26 -4.80 114.28 107.15 1xr5 n THR 113 Ca 0.23 -0.25 -0.29 0.00 -2.04 0.00 0.00 64.05 61.69 1xr5 n THR 113 Cb 0.93 -0.11 0.16 0.00 -1.82 0.00 0.00 70.33 69.49 1xr5 n THR 113 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1xr5 s THR 114 N -2.45 1.93 0.30 12.58 2.01 -1.18 -5.03 115.64 123.79 1xr5 s THR 114 Ca -0.03 0.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.72 1xr5 s THR 114 Cb 0.04 -2.80 -0.10 0.00 0.01 0.00 0.00 72.50 69.66 1xr5 s THR 114 CO 0.35 0.00 0.90 -0.44 -0.69 0.00 0.00 174.62 174.74 1xr5 s SER 115 N -4.31 7.29 0.24 3.53 0.01 -1.26 -4.82 113.70 114.38 1xr5 s SER 115 Ca 0.68 1.76 0.03 0.00 1.31 0.00 0.00 55.95 59.72 1xr5 s SER 115 Cb -0.10 -2.55 0.28 0.00 0.21 0.00 0.00 66.02 63.86 1xr5 s SER 115 CO 0.53 -0.05 1.59 0.00 0.41 0.00 0.00 173.24 175.73 1xr5 h ALA 116 N 3.22 0.89 0.00 1.44 0.00 -1.93 -3.45 119.26 119.45 1xr5 h ALA 116 Ca -0.47 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1xr5 h ALA 116 Cb 1.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xr5 h ALA 116 CO 0.65 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.98 1xr5 n GLY 117 N 0.10 -1.88 3.77 0.00 0.00 -1.26 0.14 105.19 106.05 1xr5 n GLY 117 Ca -0.02 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 1xr5 n GLY 117 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xr5 s PHE 118 N 0.00 2.94 -1.96 1.61 5.36 -1.26 -1.25 117.98 123.41 1xr5 s PHE 118 Ca 0.00 1.46 0.27 0.00 -0.96 0.00 0.00 56.93 57.70 1xr5 s PHE 118 Cb 0.00 -3.58 0.85 0.00 -0.34 0.00 0.00 43.02 39.94 1xr5 s PHE 118 CO 0.00 -1.81 1.62 -0.35 -1.46 0.00 0.00 175.22 173.23 1xr5 n PRO 119 N 0.23 1.07 -0.34 10.12 -0.05 -1.26 -4.58 135.00 140.18 1xr5 n PRO 119 Ca 0.03 -0.62 0.17 0.00 -0.05 0.00 0.00 63.50 63.03 1xr5 n PRO 119 Cb 0.44 -1.49 0.39 0.00 -0.05 0.00 0.00 33.50 32.79 1xr5 n PRO 119 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 175.50 177.33 1xr5 h TYR 120 N 1.51 0.97 -0.68 0.54 0.05 -1.45 -1.66 116.97 116.25 1xr5 h TYR 120 Ca 0.00 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.86 1xr5 h TYR 120 Cb 0.50 -0.28 -0.05 0.00 1.01 0.00 0.00 36.73 37.91 1xr5 h TYR 120 CO 0.00 0.11 0.39 0.28 -1.05 0.00 0.00 178.16 177.89 1xr5 h VAL 121 N 0.60 1.00 -0.00 -2.88 2.07 -1.55 -1.97 116.25 113.52 1xr5 h VAL 121 Ca 0.62 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.89 1xr5 h VAL 121 Cb 1.18 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1xr5 h VAL 121 CO -0.42 0.13 -0.13 -1.54 0.02 0.00 0.00 177.57 175.64 1xr5 n SER 122 N -4.75 0.21 -1.20 0.57 3.41 -0.65 -3.15 113.62 108.06 1xr5 n SER 122 Ca 0.08 0.03 0.11 0.00 -0.26 0.00 0.00 58.87 58.84 1xr5 n SER 122 Cb 0.15 -0.22 0.28 0.00 -0.26 0.00 0.00 64.21 64.16 1xr5 n SER 122 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xr5 n LEU 123 N -1.36 3.49 0.00 1.04 4.32 -0.76 -4.95 117.00 118.79 1xr5 n LEU 123 Ca 0.09 -1.68 0.00 0.00 -0.02 0.00 0.00 56.01 54.40 1xr5 n LEU 123 Cb 0.31 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.73 1xr5 n LEU 123 CO 0.28 0.84 0.00 0.61 -1.22 0.00 0.00 177.39 177.90 1xr5 n GLY 124 N 1.54 1.12 3.66 -0.72 0.00 -1.08 -4.93 105.19 104.78 1xr5 n GLY 124 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1xr5 n GLY 124 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xr5 s ILE 125 N -1.04 4.64 0.15 -0.61 -1.16 -1.15 -5.00 121.20 117.02 1xr5 s ILE 125 Ca 0.00 1.98 0.01 0.00 -0.51 0.00 0.00 60.65 62.13 1xr5 s ILE 125 Cb 0.00 -4.28 0.01 0.00 0.61 0.00 0.00 42.46 38.80 1xr5 s ILE 125 CO 0.00 -0.18 0.11 2.29 -2.81 0.00 0.00 174.94 174.35 1xr5 n LYS 126 N 6.36 1.26 -0.11 3.50 2.85 -1.26 -4.34 118.16 126.42 1xr5 n LYS 126 Ca 0.12 -0.91 0.01 0.00 -1.05 0.00 0.00 58.31 56.49 1xr5 n LYS 126 Cb 0.46 0.09 0.29 0.00 -0.65 0.00 0.00 35.03 35.22 1xr5 n LYS 126 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1xr5 h LYS 127 N 0.00 0.78 -0.28 -1.58 1.79 -1.90 -2.93 116.57 112.44 1xr5 h LYS 127 Ca -0.09 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.26 1xr5 h LYS 127 Cb 0.34 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1xr5 h LYS 127 CO 0.14 0.57 0.00 0.00 -1.08 0.00 0.00 179.45 179.09 1xr5 h ARG 128 N 0.79 0.42 -0.25 3.15 3.08 -1.87 -1.15 114.38 118.56 1xr5 h ARG 128 Ca 0.20 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 1xr5 h ARG 128 Cb 0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1xr5 h ARG 128 CO -0.03 0.45 -0.13 -0.44 -1.07 0.00 0.00 179.97 178.75 1xr5 h ASP 129 N 0.41 0.40 0.48 7.04 3.32 -1.92 -2.94 116.42 123.21 1xr5 h ASP 129 Ca 0.09 -0.10 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 1xr5 h ASP 129 Cb 0.27 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1xr5 h ASP 129 CO 0.01 0.56 -1.67 0.40 -1.72 0.00 0.00 179.24 176.81 1xr5 h ILE 130 N 0.38 0.92 -3.62 0.35 1.08 -1.62 -3.46 117.51 111.54 1xr5 h ILE 130 Ca 0.07 -2.72 -0.70 0.00 -0.39 0.00 0.00 64.86 61.12 1xr5 h ILE 130 Cb 0.46 2.50 -0.26 0.00 -3.07 0.00 0.00 36.82 36.45 1xr5 h ILE 130 CO 0.03 0.61 -0.56 -0.76 -0.69 0.00 0.00 178.15 176.78 1xr5 s LEU 131 N -6.35 4.41 -0.35 1.44 1.43 -0.46 -4.48 118.68 114.32 1xr5 s LEU 131 Ca -0.07 -0.94 -0.09 0.00 -1.03 0.00 0.00 54.13 52.00 1xr5 s LEU 131 Cb 0.08 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 44.37 1xr5 s LEU 131 CO 0.82 -0.32 0.15 0.21 0.23 0.00 0.00 176.35 177.44 1xr5 s ASN 132 N 1.51 5.51 0.08 2.29 3.84 -1.26 -4.62 114.94 122.29 1xr5 s ASN 132 Ca 0.01 -0.99 -0.16 0.00 0.21 0.00 0.00 52.86 51.93 1xr5 s ASN 132 Cb -0.19 -1.95 -0.11 0.00 -0.55 0.00 0.00 41.25 38.45 1xr5 s ASN 132 CO 0.05 -0.33 1.38 0.07 -2.79 0.00 0.00 177.10 175.48 1xr5 h LYS 133 N 8.33 0.63 -0.49 0.43 5.09 -1.96 -1.63 116.57 126.98 1xr5 h LYS 133 Ca -0.26 -0.36 -0.12 0.00 0.09 0.00 0.00 60.65 60.01 1xr5 h LYS 133 Cb 1.10 0.03 -0.02 0.00 0.10 0.00 0.00 32.23 33.44 1xr5 h LYS 133 CO 0.63 0.97 -0.15 0.93 -2.09 0.00 0.00 179.45 179.74 1xr5 h GLU 134 N 0.34 0.94 0.01 0.07 5.08 -2.03 -3.16 114.58 115.83 1xr5 h GLU 134 Ca 0.03 -0.36 -0.23 0.00 -1.00 0.00 0.00 59.36 57.80 1xr5 h GLU 134 Cb 0.89 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1xr5 h GLU 134 CO 0.07 1.02 -0.96 1.15 -1.00 0.00 0.00 179.01 179.30 1xr5 h THR 135 N 0.83 1.42 -5.65 1.13 2.02 -2.00 -3.48 112.91 107.18 1xr5 h THR 135 Ca 0.12 -2.50 -0.32 0.00 0.77 0.00 0.00 66.41 64.48 1xr5 h THR 135 Cb 0.70 2.46 0.17 0.00 -1.74 0.00 0.00 68.15 69.73 1xr5 h THR 135 CO 0.05 0.74 -0.79 0.00 0.37 0.00 0.00 175.52 175.89 1xr5 n GLN 136 N -3.72 -5.67 -2.76 6.66 6.02 -0.61 -4.99 117.38 112.31 1xr5 n GLN 136 Ca -0.07 0.83 -0.38 0.00 -0.01 0.00 0.00 57.00 57.38 1xr5 n GLN 136 Cb 0.84 -5.79 -0.06 0.00 1.02 0.00 0.00 30.24 26.25 1xr5 n GLN 136 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1xr5 s ASP 137 N -4.18 7.41 0.00 1.08 2.15 -1.22 -4.98 116.67 116.93 1xr5 s ASP 137 Ca 0.09 1.89 0.00 0.00 0.43 0.00 0.00 52.55 54.95 1xr5 s ASP 137 Cb -0.01 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 1xr5 s ASP 137 CO 0.74 -0.01 0.85 0.35 -0.17 0.00 0.00 175.17 176.92 1xr5 n THR 138 N 0.83 0.70 0.05 1.71 -2.24 -1.26 -4.77 114.28 109.30 1xr5 n THR 138 Ca 0.01 -0.72 -0.21 0.00 -2.27 0.00 0.00 64.05 60.86 1xr5 n THR 138 Cb 0.49 0.66 -0.15 0.00 -2.10 0.00 0.00 70.33 69.23 1xr5 n THR 138 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1xr5 h GLU 139 N 0.00 0.31 -0.55 -0.78 4.81 -1.94 -2.74 114.58 113.69 1xr5 h GLU 139 Ca 0.00 -0.52 -0.07 0.00 -0.13 0.00 0.00 59.36 58.64 1xr5 h GLU 139 Cb 0.61 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 1xr5 h GLU 139 CO 0.00 1.25 0.07 0.87 -0.73 0.00 0.00 179.01 180.47 1xr5 h LYS 140 N -0.32 0.94 0.53 1.92 1.57 -1.86 -1.12 116.57 118.22 1xr5 h LYS 140 Ca -0.19 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.30 1xr5 h LYS 140 Cb 1.71 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.93 1xr5 h LYS 140 CO 0.14 0.91 -0.25 1.98 -0.57 0.00 0.00 179.45 181.66 1xr5 h MET 141 N 0.82 -0.68 -1.11 3.15 4.05 -1.79 -2.43 114.93 116.95 1xr5 h MET 141 Ca 0.17 0.05 0.31 0.00 -0.28 0.00 0.00 59.70 59.94 1xr5 h MET 141 Cb 0.45 0.15 -0.09 0.00 -0.80 0.00 0.00 31.60 31.31 1xr5 h MET 141 CO 0.02 -0.45 0.73 -0.22 0.23 0.00 0.00 176.91 177.21 1xr5 h LYS 142 N -0.88 0.27 0.34 0.39 1.63 -1.51 0.17 116.57 116.98 1xr5 h LYS 142 Ca -0.07 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 1xr5 h LYS 142 Cb 0.54 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1xr5 h LYS 142 CO 0.12 0.18 -0.17 0.35 -3.45 0.00 0.00 179.45 176.48 1xr5 h PHE 143 N 0.28 -0.43 0.00 1.91 -0.00 -1.18 -2.37 116.94 115.15 1xr5 h PHE 143 Ca 0.63 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 58.59 1xr5 h PHE 143 Cb 1.81 0.14 0.00 0.00 -0.00 0.00 0.00 35.95 37.90 1xr5 h PHE 143 CO -0.00 -0.27 0.00 0.66 -0.00 0.00 0.00 178.31 178.70 1xr5 n TYR 144 N -3.38 0.22 -0.01 0.41 4.01 -0.34 -1.38 117.16 116.69 1xr5 n TYR 144 Ca -0.06 0.11 -0.17 0.00 -0.16 0.00 0.00 57.90 57.62 1xr5 n TYR 144 Cb 0.18 -0.68 -0.14 0.00 -0.31 0.00 0.00 39.34 38.40 1xr5 n TYR 144 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1xr5 h LEU 145 N 0.00 0.23 -1.11 7.72 3.38 -0.70 -2.98 115.31 121.86 1xr5 h LEU 145 Ca 0.00 -0.96 -0.04 0.00 0.09 0.00 0.00 57.88 56.97 1xr5 h LEU 145 Cb 0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1xr5 h LEU 145 CO 0.00 1.22 0.15 -0.78 0.09 0.00 0.00 178.44 179.12 1xr5 h ASP 146 N -0.69 0.72 0.35 -0.43 -0.00 -0.76 -0.92 116.42 114.70 1xr5 h ASP 146 Ca -0.09 -0.11 -0.02 0.00 -0.00 0.00 0.00 57.03 56.81 1xr5 h ASP 146 Cb 1.33 -0.19 0.00 0.00 -0.00 0.00 0.00 39.33 40.48 1xr5 h ASP 146 CO 0.06 0.70 -0.17 0.50 -0.00 0.00 0.00 179.24 180.33 1xr5 h LYS 147 N 0.76 -0.46 0.00 0.28 3.64 -1.34 -3.38 116.57 116.07 1xr5 h LYS 147 Ca 0.17 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1xr5 h LYS 147 Cb 0.24 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1xr5 h LYS 147 CO -0.01 -0.30 -1.15 0.66 -2.27 0.00 0.00 179.45 176.38 1xr5 n TYR 148 N -3.96 0.57 -4.18 1.91 4.01 -1.12 -5.07 117.16 109.31 1xr5 n TYR 148 Ca -0.06 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 1xr5 n TYR 148 Cb 0.19 -0.71 0.00 0.00 -0.31 0.00 0.00 39.34 38.51 1xr5 n TYR 148 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xr5 n GLY 149 N 1.26 -1.17 3.46 2.72 0.00 -0.35 -4.96 105.19 106.16 1xr5 n GLY 149 Ca 0.00 -1.24 -0.22 0.00 0.00 0.00 0.00 46.02 44.56 1xr5 n GLY 149 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xr5 s ILE 150 N 0.00 1.37 -0.05 -0.61 -4.36 -1.26 -4.78 121.20 111.51 1xr5 s ILE 150 Ca 0.00 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.36 1xr5 s ILE 150 Cb 0.00 -2.72 0.00 0.00 1.25 0.00 0.00 42.46 40.99 1xr5 s ILE 150 CO 0.00 -0.08 0.00 -0.67 0.24 0.00 0.00 174.94 174.43 1xr5 n ASP 151 N -0.68 -1.57 -4.76 4.36 2.03 -1.26 -5.05 116.55 109.61 1xr5 n ASP 151 Ca -0.03 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.96 1xr5 n ASP 151 Cb 0.66 -0.61 0.08 0.00 -0.72 0.00 0.00 41.12 40.53 1xr5 n ASP 151 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1xr5 s LEU 152 N -0.14 3.14 1.20 -2.67 1.02 -1.26 -5.04 118.68 114.92 1xr5 s LEU 152 Ca 0.00 1.91 -0.19 0.00 0.02 0.00 0.00 54.13 55.87 1xr5 s LEU 152 Cb 0.00 -4.53 0.28 0.00 0.02 0.00 0.00 46.19 41.96 1xr5 s LEU 152 CO 0.00 -1.97 1.09 -2.16 0.02 0.00 0.00 176.35 173.33 1xr5 s PRO 153 N -4.62 -1.18 -0.14 1.29 0.04 -1.26 -4.82 135.00 124.31 1xr5 s PRO 153 Ca 0.63 0.03 -0.00 0.00 0.04 0.00 0.00 61.00 61.70 1xr5 s PRO 153 Cb -0.19 -1.59 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 1xr5 s PRO 153 CO 0.51 -3.70 -0.14 -0.51 0.04 0.00 0.00 177.00 173.21 1xr5 s LEU 154 N -6.96 2.62 -0.19 -3.56 1.43 -0.31 -4.32 118.68 107.39 1xr5 s LEU 154 Ca 0.70 -0.39 -0.26 0.00 -1.03 0.00 0.00 54.13 53.15 1xr5 s LEU 154 Cb -0.11 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 1xr5 s LEU 154 CO 0.57 0.13 0.88 -0.69 0.23 0.00 0.00 176.35 177.47 1xr5 s VAL 155 N 0.58 4.82 -0.72 -1.59 1.01 -0.79 0.14 120.40 123.85 1xr5 s VAL 155 Ca -0.08 1.73 -0.11 0.00 0.00 0.00 0.00 61.98 63.52 1xr5 s VAL 155 Cb -0.16 -4.18 0.19 0.00 0.00 0.00 0.00 36.38 32.23 1xr5 s VAL 155 CO 0.03 -0.04 0.63 -0.89 0.00 0.00 0.00 175.10 174.83 1xr5 s THR 156 N 2.50 4.97 0.80 3.92 2.01 -1.08 -0.73 115.64 128.02 1xr5 s THR 156 Ca 0.39 -2.47 -0.11 0.00 0.31 0.00 0.00 61.69 59.81 1xr5 s THR 156 Cb -0.16 -4.13 0.07 0.00 0.01 0.00 0.00 72.50 68.29 1xr5 s THR 156 CO 0.10 -0.96 1.09 -0.31 -0.69 0.00 0.00 174.62 173.86 1xr5 s TYR 157 N 0.31 2.75 -0.18 4.92 2.02 -0.53 -4.53 117.35 122.10 1xr5 s TYR 157 Ca 0.15 1.27 -0.05 0.00 -0.37 0.00 0.00 57.07 58.08 1xr5 s TYR 157 Cb -0.16 -3.08 -0.03 0.00 -0.40 0.00 0.00 41.96 38.30 1xr5 s TYR 157 CO -0.06 -1.81 -0.01 -1.50 -1.57 0.00 0.00 175.55 170.60 1xr5 s ILE 158 N -3.06 3.94 0.06 2.71 -1.16 -1.26 -2.06 121.20 120.36 1xr5 s ILE 158 Ca 0.61 -0.33 -0.31 0.00 -0.51 0.00 0.00 60.65 60.11 1xr5 s ILE 158 Cb -0.15 -2.76 -0.07 0.00 0.61 0.00 0.00 42.46 40.09 1xr5 s ILE 158 CO 0.55 0.45 1.41 -0.75 -2.81 0.00 0.00 174.94 173.79 1xr5 s LYS 159 N 0.74 4.30 -0.44 3.50 2.20 0.59 -4.87 119.74 125.76 1xr5 s LYS 159 Ca -0.01 2.04 -0.20 0.00 -0.36 0.00 0.00 55.97 57.44 1xr5 s LYS 159 Cb -0.14 -3.41 0.02 0.00 -1.51 0.00 0.00 37.83 32.79 1xr5 s LYS 159 CO 0.02 -0.51 0.59 0.34 -0.36 0.00 0.00 175.35 175.43 1xr5 s ASP 160 N 1.52 6.28 0.04 1.43 2.15 -1.26 -4.63 116.67 122.20 1xr5 s ASP 160 Ca 0.65 -0.46 -0.28 0.00 0.43 0.00 0.00 52.55 52.89 1xr5 s ASP 160 Cb -0.34 -2.29 0.09 0.00 -0.30 0.00 0.00 42.92 40.08 1xr5 s ASP 160 CO 0.29 -0.73 0.97 -1.83 -0.17 0.00 0.00 175.17 173.70 1xr5 s GLU 161 N 2.63 0.88 0.28 4.34 -1.05 -1.26 -5.00 118.70 119.51 1xr5 s GLU 161 Ca 0.19 -0.41 -0.29 0.00 -0.15 0.00 0.00 54.97 54.31 1xr5 s GLU 161 Cb -0.15 0.35 -0.10 0.00 -0.44 0.00 0.00 34.13 33.79 1xr5 s GLU 161 CO 0.17 -0.39 1.29 -0.51 0.95 0.00 0.00 175.26 176.77 1xr5 s LEU 162 N -2.67 4.44 0.04 1.83 2.01 -1.26 -1.02 118.68 122.06 1xr5 s LEU 162 Ca 0.09 2.56 0.03 0.00 0.01 0.00 0.00 54.13 56.81 1xr5 s LEU 162 Cb -0.01 -3.63 -0.02 0.00 0.01 0.00 0.00 46.19 42.54 1xr5 s LEU 162 CO -0.04 -0.49 -0.09 -0.13 1.01 0.00 0.00 176.35 176.61 1xr5 s ARG 163 N -1.21 0.57 0.61 1.70 1.81 0.11 -4.85 118.95 117.70 1xr5 s ARG 163 Ca 0.51 -0.76 -0.18 0.00 -1.72 0.00 0.00 55.73 53.58 1xr5 s ARG 163 Cb -0.38 -0.38 -0.03 0.00 -0.45 0.00 0.00 34.95 33.71 1xr5 s ARG 163 CO 0.47 0.07 1.22 -1.54 -0.68 0.00 0.00 175.30 174.84 1xr5 s SER 164 N -1.52 5.04 0.33 0.23 1.04 -1.26 -1.88 113.70 115.68 1xr5 s SER 164 Ca -0.08 2.41 0.12 0.00 0.48 0.00 0.00 55.95 58.87 1xr5 s SER 164 Cb -0.10 -2.60 1.03 0.00 0.10 0.00 0.00 66.02 64.45 1xr5 s SER 164 CO 0.01 -1.70 1.62 0.58 0.98 0.00 0.00 173.24 174.73 1xr5 h VAL 165 N 0.74 0.18 0.21 5.02 2.07 -1.93 -0.93 116.25 121.60 1xr5 h VAL 165 Ca -0.50 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1xr5 h VAL 165 Cb 1.30 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1xr5 h VAL 165 CO 0.54 0.03 -0.10 0.44 0.02 0.00 0.00 177.57 178.50 1xr5 h ASP 166 N 0.16 -0.23 0.30 0.57 5.19 -2.00 -2.74 116.42 117.66 1xr5 h ASP 166 Ca 0.71 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.99 1xr5 h ASP 166 Cb 1.65 0.06 0.00 0.00 0.18 0.00 0.00 39.33 41.22 1xr5 h ASP 166 CO -0.71 -0.01 0.00 0.29 -3.12 0.00 0.00 179.24 175.69 1xr5 n LYS 167 N -5.13 0.12 -0.07 3.56 5.02 -0.40 -1.28 118.16 119.98 1xr5 n LYS 167 Ca -0.09 0.21 -0.09 0.00 -2.02 0.00 0.00 58.31 56.31 1xr5 n LYS 167 Cb 0.19 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.64 1xr5 n LYS 167 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xr5 h VAL 168 N 0.00 0.70 -0.08 -0.18 2.07 -1.19 -2.14 116.25 115.44 1xr5 h VAL 168 Ca 0.00 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 65.88 1xr5 h VAL 168 Cb 0.15 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1xr5 h VAL 168 CO 0.00 0.24 -0.03 0.08 0.02 0.00 0.00 177.57 177.88 1xr5 h ARG 169 N -1.00 0.16 0.00 1.57 0.11 -1.31 -2.95 114.38 110.96 1xr5 h ARG 169 Ca -0.07 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 59.95 1xr5 h ARG 169 Cb 0.64 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.72 1xr5 h ARG 169 CO -0.04 0.52 0.00 1.28 0.10 0.00 0.00 179.97 181.83 1xr5 n LEU 170 N -4.77 0.00 -1.49 0.08 4.32 -0.40 -2.44 117.00 112.30 1xr5 n LEU 170 Ca -0.07 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.76 1xr5 n LEU 170 Cb 0.25 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.01 1xr5 n LEU 170 CO 0.36 0.00 -0.18 0.61 -1.22 0.00 0.00 177.39 176.96 1xr5 n GLY 171 N -0.04 0.72 0.07 -0.72 0.00 -1.11 -4.83 105.19 99.27 1xr5 n GLY 171 Ca 0.02 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.91 1xr5 n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xr5 n LYS 172 N -2.53 0.12 -0.71 1.61 4.76 -0.81 -3.91 118.16 116.69 1xr5 n LYS 172 Ca -0.17 0.25 -0.30 0.00 -2.87 0.00 0.00 58.31 55.21 1xr5 n LYS 172 Cb 0.58 -1.69 -0.05 0.00 -1.84 0.00 0.00 35.03 32.03 1xr5 n LYS 172 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1xr5 n SER 173 N -1.91 0.46 -4.85 4.39 3.41 -1.21 -4.85 113.62 109.06 1xr5 n SER 173 Ca 0.04 0.44 -0.25 0.00 -0.26 0.00 0.00 58.87 58.84 1xr5 n SER 173 Cb 0.28 -0.43 0.08 0.00 -0.26 0.00 0.00 64.21 63.88 1xr5 n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xr5 s ARG 174 N 2.19 2.06 -0.00 4.33 1.04 -1.26 -4.82 118.95 122.49 1xr5 s ARG 174 Ca 0.54 -0.40 0.03 0.00 -1.04 0.00 0.00 55.73 54.86 1xr5 s ARG 174 Cb -0.72 -2.19 -0.03 0.00 -2.04 0.00 0.00 34.95 29.97 1xr5 s ARG 174 CO 0.35 -1.30 -0.08 -0.51 -0.04 0.00 0.00 175.30 173.73 1xr5 s LEU 175 N -5.24 3.12 -0.25 -1.89 1.43 -1.26 -0.30 118.68 114.29 1xr5 s LEU 175 Ca 0.61 -0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 53.47 1xr5 s LEU 175 Cb -0.10 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 1xr5 s LEU 175 CO 0.45 0.29 0.15 0.27 0.23 0.00 0.00 176.35 177.73 1xr5 s ILE 176 N -0.96 5.08 -0.81 -0.59 -4.36 -0.88 -4.78 121.20 113.90 1xr5 s ILE 176 Ca 0.16 0.09 -0.09 0.00 -0.26 0.00 0.00 60.65 60.55 1xr5 s ILE 176 Cb -0.11 -3.39 0.21 0.00 1.25 0.00 0.00 42.46 40.42 1xr5 s ILE 176 CO 0.06 0.31 0.72 -1.83 0.24 0.00 0.00 174.94 174.44 1xr5 s GLU 177 N 1.40 3.34 0.11 0.37 -1.05 -0.97 -1.46 118.70 120.45 1xr5 s GLU 177 Ca 0.07 -2.66 -0.24 0.00 -0.15 0.00 0.00 54.97 51.98 1xr5 s GLU 177 Cb -0.15 -4.19 -0.07 0.00 -0.44 0.00 0.00 34.13 29.28 1xr5 s GLU 177 CO 0.07 -1.25 0.75 0.00 0.95 0.00 0.00 175.26 175.78 1xr5 s ALA 178 N -0.23 3.43 0.19 -0.84 0.00 0.09 -4.05 121.76 120.34 1xr5 s ALA 178 Ca 0.20 0.29 -0.13 0.00 0.00 0.00 0.00 51.96 52.33 1xr5 s ALA 178 Cb -0.13 -2.94 -0.07 0.00 0.00 0.00 0.00 23.12 19.99 1xr5 s ALA 178 CO -0.08 0.21 0.57 0.45 0.00 0.00 0.00 175.76 176.92 1xr5 s SER 179 N -0.71 6.76 0.51 0.00 0.15 -1.24 -1.88 113.70 117.28 1xr5 s SER 179 Ca 0.36 1.05 -0.23 0.00 0.70 0.00 0.00 55.95 57.83 1xr5 s SER 179 Cb -0.22 -2.28 -0.06 0.00 -1.71 0.00 0.00 66.02 61.76 1xr5 s SER 179 CO 0.24 0.02 1.31 -0.55 1.20 0.00 0.00 173.24 175.46 1xr5 s SER 180 N -1.98 5.61 0.25 5.45 0.15 -1.26 -4.14 113.70 117.79 1xr5 s SER 180 Ca 0.42 2.66 -0.06 0.00 0.70 0.00 0.00 55.95 59.68 1xr5 s SER 180 Cb -0.13 -2.63 0.27 0.00 -1.71 0.00 0.00 66.02 61.82 1xr5 s SER 180 CO 0.20 -1.33 1.93 0.25 1.20 0.00 0.00 173.24 175.49 1xr5 h LEU 181 N 1.77 1.13 -0.47 3.45 5.85 0.92 -0.73 115.31 127.23 1xr5 h LEU 181 Ca -0.50 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.27 1xr5 h LEU 181 Cb 1.28 -0.28 -0.10 0.00 0.37 0.00 0.00 40.66 41.93 1xr5 h LEU 181 CO 0.59 0.83 -0.20 0.78 -0.34 0.00 0.00 178.44 180.09 1xr5 h ASN 182 N 1.33 -0.70 -0.03 1.25 4.21 -1.89 -0.32 115.58 119.43 1xr5 h ASN 182 Ca 0.36 0.17 -0.16 0.00 1.21 0.00 0.00 56.30 57.87 1xr5 h ASN 182 Cb -0.14 0.39 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 1xr5 h ASN 182 CO -0.08 -0.23 -0.54 0.44 -1.29 0.00 0.00 177.43 175.73 1xr5 h ASP 183 N -0.10 0.68 0.19 5.81 3.32 -1.57 -1.19 116.42 123.56 1xr5 h ASP 183 Ca 0.22 -0.36 -0.15 0.00 0.02 0.00 0.00 57.03 56.77 1xr5 h ASP 183 Cb 0.45 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1xr5 h ASP 183 CO -0.54 1.09 -0.55 0.77 -1.72 0.00 0.00 179.24 178.29 1xr5 h SER 184 N 0.47 0.42 0.39 6.45 4.64 -0.81 -2.75 113.55 122.36 1xr5 h SER 184 Ca 0.01 -0.22 -0.20 0.00 -0.47 0.00 0.00 61.79 60.91 1xr5 h SER 184 Cb 1.09 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1xr5 h SER 184 CO 0.11 0.88 -0.84 -0.37 -0.87 0.00 0.00 176.83 175.74 1xr5 h VAL 185 N 0.29 1.42 0.16 0.95 -1.51 -1.05 -2.70 116.25 113.81 1xr5 h VAL 185 Ca 0.01 -2.38 0.00 0.00 -1.23 0.00 0.00 66.70 63.10 1xr5 h VAL 185 Cb 1.05 2.31 -0.02 0.00 -2.13 0.00 0.00 31.29 32.51 1xr5 h VAL 185 CO 0.09 0.70 -0.16 -1.13 -1.23 0.00 0.00 177.57 175.84 1xr5 h ASN 186 N 0.20 -0.44 0.49 4.19 -1.24 -0.94 -1.15 115.58 116.70 1xr5 h ASN 186 Ca -0.05 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.00 1xr5 h ASN 186 Cb 1.44 0.15 0.00 0.00 0.73 0.00 0.00 38.32 40.65 1xr5 h ASN 186 CO 0.14 -0.25 -0.87 1.15 -1.29 0.00 0.00 177.43 176.31 1xr5 n MET 187 N -5.29 0.22 0.04 6.67 0.00 -1.07 -2.32 117.12 115.37 1xr5 n MET 187 Ca -0.08 0.01 0.08 0.00 0.00 0.00 0.00 57.70 57.72 1xr5 n MET 187 Cb 0.20 -1.59 0.36 0.00 0.00 0.00 0.00 33.22 32.20 1xr5 n MET 187 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1xr5 n ARG 188 N -1.88 0.06 -0.00 3.17 0.63 -1.02 -0.91 116.66 116.71 1xr5 n ARG 188 Ca 0.03 0.30 0.10 0.00 -0.92 0.00 0.00 57.85 57.36 1xr5 n ARG 188 Cb 0.41 -1.61 -0.12 0.00 0.45 0.00 0.00 32.46 31.59 1xr5 n ARG 188 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1xr5 n MET 189 N -1.71 0.07 0.00 -0.14 1.56 -0.44 -3.59 117.12 112.86 1xr5 n MET 189 Ca 0.03 -0.02 0.00 0.00 -0.27 0.00 0.00 57.70 57.44 1xr5 n MET 189 Cb 0.19 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 34.06 1xr5 n MET 189 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 1xr5 n LYS 190 N -1.58 1.57 -0.14 2.12 2.85 -1.16 0.48 118.16 122.29 1xr5 n LYS 190 Ca 0.03 -0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.39 1xr5 n LYS 190 Cb 0.35 -0.12 0.15 0.00 -0.65 0.00 0.00 35.03 34.77 1xr5 n LYS 190 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1xr5 n LEU 191 N -0.22 2.42 0.08 -5.58 4.77 -0.09 -4.78 117.00 113.60 1xr5 n LEU 191 Ca 0.00 -3.19 0.01 0.00 -0.03 0.00 0.00 56.01 52.80 1xr5 n LEU 191 Cb 0.00 -0.44 0.33 0.00 -2.33 0.00 0.00 43.42 40.97 1xr5 n LEU 191 CO 0.00 0.79 0.85 1.23 -1.33 0.00 0.00 177.39 178.93 1xr5 h GLY 192 N 0.15 0.35 1.88 -0.72 0.00 -1.68 -1.86 103.07 101.20 1xr5 h GLY 192 Ca 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1xr5 h GLY 192 CO 0.01 0.22 -0.49 3.43 0.00 0.00 0.00 176.54 179.70 1xr5 h ASN 193 N 0.30 0.00 -0.52 0.19 4.21 -1.84 -1.79 115.58 116.13 1xr5 h ASN 193 Ca 0.06 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.50 1xr5 h ASN 193 Cb 0.46 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.64 1xr5 h ASN 193 CO 0.03 0.38 0.07 0.25 -1.29 0.00 0.00 177.43 176.87 1xr5 h LEU 194 N 0.00 0.83 -0.39 1.61 7.12 -1.69 -2.05 115.31 120.73 1xr5 h LEU 194 Ca -0.02 -0.27 -0.17 0.00 0.13 0.00 0.00 57.88 57.56 1xr5 h LEU 194 Cb 1.31 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 41.21 1xr5 h LEU 194 CO 0.05 0.89 -0.44 1.88 -0.13 0.00 0.00 178.44 180.68 1xr5 h TYR 195 N 0.74 1.07 -0.61 1.25 0.05 -1.31 -3.01 116.97 115.14 1xr5 h TYR 195 Ca 0.16 -0.34 0.05 0.00 0.05 0.00 0.00 58.73 58.64 1xr5 h TYR 195 Cb 0.42 -0.22 -0.05 0.00 1.01 0.00 0.00 36.73 37.89 1xr5 h TYR 195 CO 0.03 1.16 0.34 -0.22 -1.05 0.00 0.00 178.16 178.42 1xr5 h LYS 196 N 0.70 0.63 -0.53 4.88 3.64 -1.24 -1.68 116.57 122.97 1xr5 h LYS 196 Ca 0.04 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1xr5 h LYS 196 Cb 1.03 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 1xr5 h LYS 196 CO 0.10 0.42 0.03 0.00 -2.27 0.00 0.00 179.45 177.73 1xr5 h ALA 197 N 1.31 0.72 -0.01 5.00 0.00 -1.35 -2.44 119.26 122.48 1xr5 h ALA 197 Ca 0.27 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1xr5 h ALA 197 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xr5 h ALA 197 CO -0.16 0.51 -0.50 0.74 0.00 0.00 0.00 179.25 179.85 1xr5 h PHE 198 N 0.80 0.03 0.00 0.00 -1.00 -1.33 -1.52 116.94 113.93 1xr5 h PHE 198 Ca 0.15 -0.01 -0.17 0.00 2.81 0.00 0.00 57.97 60.75 1xr5 h PHE 198 Cb 0.50 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.03 1xr5 h PHE 198 CO 0.04 0.52 -0.81 0.45 -1.61 0.00 0.00 178.31 176.89 1xr5 h HIS 199 N 0.02 0.05 0.00 -0.55 3.86 -1.14 -3.22 115.15 114.17 1xr5 h HIS 199 Ca -0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1xr5 h HIS 199 Cb 0.89 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.36 1xr5 h HIS 199 CO 0.00 0.83 -0.76 1.04 0.86 0.00 0.00 177.93 179.90 1xr5 n GLN 200 N -3.60 0.18 -2.92 2.45 6.02 -0.94 -4.49 117.38 114.09 1xr5 n GLN 200 Ca -0.01 0.02 -0.22 0.00 -0.01 0.00 0.00 57.00 56.78 1xr5 n GLN 200 Cb 0.78 -1.58 -0.02 0.00 1.02 0.00 0.00 30.24 30.43 1xr5 n GLN 200 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1xr5 n ASN 201 N -1.83 2.93 -4.62 1.08 4.13 -0.58 -5.05 115.26 111.32 1xr5 n ASN 201 Ca 0.03 -3.35 -0.43 0.00 1.68 0.00 0.00 54.58 52.52 1xr5 n ASN 201 Cb 0.40 -0.56 -0.03 0.00 -1.54 0.00 0.00 39.78 38.05 1xr5 n ASN 201 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1xr5 s PRO 202 N -3.10 3.59 0.00 3.52 0.04 -1.24 -4.42 135.00 133.40 1xr5 s PRO 202 Ca 0.43 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1xr5 s PRO 202 Cb 0.34 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1xr5 s PRO 202 CO -0.10 -1.55 0.00 0.41 0.04 0.00 0.00 177.00 175.80 1xr5 n GLY 203 N 5.02 -0.66 0.22 0.56 0.00 0.83 -4.94 105.19 106.22 1xr5 n GLY 203 Ca 0.21 -0.50 0.14 0.00 0.00 0.00 0.00 46.02 45.86 1xr5 n GLY 203 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xr5 n VAL 204 N 1.50 0.00 -0.12 1.61 0.31 -1.26 -1.24 118.33 119.14 1xr5 n VAL 204 Ca 0.00 -0.12 -0.24 0.00 -0.01 0.00 0.00 64.34 63.97 1xr5 n VAL 204 Cb 0.00 0.21 -0.11 0.00 -0.91 0.00 0.00 33.84 33.03 1xr5 n VAL 204 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1xr5 n LEU 205 N -0.65 1.89 0.19 7.52 0.00 -1.26 -4.06 117.00 120.62 1xr5 n LEU 205 Ca 0.14 0.40 0.14 0.00 0.00 0.00 0.00 56.01 56.69 1xr5 n LEU 205 Cb 0.32 -0.91 0.55 0.00 0.00 0.00 0.00 43.42 43.38 1xr5 n LEU 205 CO 0.24 0.36 0.91 0.71 0.00 0.00 0.00 177.39 179.60 1xr5 h THR 206 N -1.00 0.00 -4.80 1.96 1.35 -1.77 -3.41 112.91 105.24 1xr5 h THR 206 Ca -0.46 -0.36 -0.41 0.00 -0.55 0.00 0.00 66.41 64.63 1xr5 h THR 206 Cb 1.40 1.21 0.07 0.00 -1.73 0.00 0.00 68.15 69.09 1xr5 h THR 206 CO -0.28 0.00 -0.62 0.61 -0.25 0.00 0.00 175.52 174.98 1xr5 n GLY 207 N 0.09 -0.53 2.99 5.82 0.00 -0.37 -4.89 105.19 108.31 1xr5 n GLY 207 Ca 0.02 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 1xr5 n GLY 207 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xr5 s SER 208 N -2.82 0.47 0.00 1.61 0.01 -0.42 -1.90 113.70 110.64 1xr5 s SER 208 Ca 0.37 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1xr5 s SER 208 Cb -0.16 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.11 1xr5 s SER 208 CO 0.45 -0.19 0.03 0.00 0.41 0.00 0.00 173.24 173.94 1xr5 n ALA 209 N 1.89 1.94 -1.67 1.44 0.00 -0.80 -0.12 120.51 123.18 1xr5 n ALA 209 Ca -0.21 -0.03 -0.61 0.00 0.00 0.00 0.00 53.44 52.59 1xr5 n ALA 209 Cb 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 1xr5 n ALA 209 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1xr5 n VAL 210 N -0.90 0.09 -1.90 0.00 0.24 -1.26 -3.20 118.33 111.41 1xr5 n VAL 210 Ca 0.00 -0.02 -0.01 0.00 -2.04 0.00 0.00 64.34 62.28 1xr5 n VAL 210 Cb 0.00 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 1xr5 n VAL 210 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xr5 n GLY 211 N 3.43 -0.65 3.39 7.63 0.00 -1.26 -4.58 105.19 113.16 1xr5 n GLY 211 Ca 0.26 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 46.23 1xr5 n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr5 s ASP 213 N 0.67 6.44 0.32 0.00 2.15 -1.26 -4.89 116.67 120.10 1xr5 s ASP 213 Ca -0.03 1.15 0.05 0.00 0.43 0.00 0.00 52.55 54.15 1xr5 s ASP 213 Cb -0.05 -2.54 0.55 0.00 -0.30 0.00 0.00 42.92 40.58 1xr5 s ASP 213 CO -0.05 -1.28 1.81 -0.65 -0.17 0.00 0.00 175.17 174.83 1xr5 h PRO 214 N 10.32 0.44 -0.61 4.34 0.11 -1.99 -1.07 132.00 143.55 1xr5 h PRO 214 Ca -0.29 -0.13 0.07 0.00 0.11 0.00 0.00 66.00 65.77 1xr5 h PRO 214 Cb 1.12 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.10 1xr5 h PRO 214 CO 1.05 0.58 -0.31 -0.25 -0.21 0.00 0.00 178.00 178.86 1xr5 n ASP 215 N -4.20 -0.55 -0.05 -2.05 10.43 -1.26 -1.70 116.55 117.17 1xr5 n ASP 215 Ca 0.00 1.08 -0.21 0.00 2.57 0.00 0.00 54.79 58.22 1xr5 n ASP 215 Cb 0.32 -0.18 -0.13 0.00 1.84 0.00 0.00 41.12 42.97 1xr5 n ASP 215 CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 177.20 177.46 1xr5 n VAL 216 N -4.82 1.67 0.23 2.53 0.24 -1.03 -4.48 118.33 112.66 1xr5 n VAL 216 Ca 0.03 -0.51 0.07 0.00 -2.04 0.00 0.00 64.34 61.89 1xr5 n VAL 216 Cb 0.19 -1.74 0.53 0.00 -1.47 0.00 0.00 33.84 31.35 1xr5 n VAL 216 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 1xr5 h PHE 217 N -0.21 0.00 -0.65 6.34 3.57 -1.05 -1.80 116.94 123.14 1xr5 h PHE 217 Ca -0.46 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.13 1xr5 h PHE 217 Cb 1.85 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 40.52 1xr5 h PHE 217 CO 0.06 0.21 0.28 -1.49 -2.23 0.00 0.00 178.31 175.14 1xr5 h TRP 218 N 0.00 0.50 0.00 0.41 -0.00 -1.55 -2.50 115.95 112.81 1xr5 h TRP 218 Ca -0.00 0.03 -0.13 0.00 -0.00 0.00 0.00 58.89 58.79 1xr5 h TRP 218 Cb 0.40 -0.12 -0.05 0.00 -0.00 0.00 0.00 29.16 29.39 1xr5 h TRP 218 CO 0.00 0.15 -0.23 0.43 -0.00 0.00 0.00 178.44 178.80 1xr5 n SER 219 N -4.94 4.75 0.00 -3.49 7.64 -0.67 -2.94 113.62 113.96 1xr5 n SER 219 Ca 0.10 -2.35 0.00 0.00 1.01 0.00 0.00 58.87 57.62 1xr5 n SER 219 Cb 0.28 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1xr5 n SER 219 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1xr5 n VAL 220 N 2.30 0.00 -0.15 0.44 3.14 -1.09 -4.83 118.33 118.14 1xr5 n VAL 220 Ca 0.29 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.64 1xr5 n VAL 220 Cb 0.73 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.57 1xr5 n VAL 220 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1xr5 h ILE 221 N 0.00 0.74 0.00 1.55 2.04 -1.33 -2.26 117.51 118.24 1xr5 h ILE 221 Ca 0.00 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1xr5 h ILE 221 Cb 0.00 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1xr5 h ILE 221 CO 0.00 0.04 -0.06 -0.65 0.00 0.00 0.00 178.15 177.48 1xr5 h PRO 222 N 0.23 0.00 -0.02 2.37 0.11 -1.89 -0.02 132.00 132.78 1xr5 h PRO 222 Ca 0.24 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.19 1xr5 h PRO 222 Cb 0.31 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1xr5 h PRO 222 CO -0.31 0.06 -0.71 0.00 -0.21 0.00 0.00 178.00 176.83 1xr5 h LEU 224 N 0.07 0.52 -5.51 0.00 4.07 -0.81 -3.37 115.31 110.28 1xr5 h LEU 224 Ca -0.01 -0.90 -0.73 0.00 0.08 0.00 0.00 57.88 56.32 1xr5 h LEU 224 Cb 1.25 -0.17 -0.09 0.00 1.08 0.00 0.00 40.66 42.73 1xr5 h LEU 224 CO 0.10 1.66 2.73 0.23 -1.08 0.00 0.00 178.44 182.07 1xr5 n MET 225 N -3.82 4.41 -2.93 1.13 2.81 -0.12 -4.91 117.12 113.70 1xr5 n MET 225 Ca -0.23 -3.20 -0.44 0.00 -1.81 0.00 0.00 57.70 52.03 1xr5 n MET 225 Cb 0.97 -2.67 -0.03 0.00 -0.71 0.00 0.00 33.22 30.78 1xr5 n MET 225 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1xr5 s ASP 226 N 0.76 6.33 0.00 7.83 1.01 -1.26 -4.84 116.67 126.50 1xr5 s ASP 226 Ca 0.57 -1.43 0.00 0.00 0.71 0.00 0.00 52.55 52.41 1xr5 s ASP 226 Cb 0.18 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.72 1xr5 s ASP 226 CO -0.09 -1.26 0.00 0.61 0.21 0.00 0.00 175.17 174.65 1xr5 n GLY 227 N 5.36 -0.59 0.00 0.21 0.00 -1.26 -4.86 105.19 104.05 1xr5 n GLY 227 Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1xr5 n GLY 227 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xr5 n HIS 228 N 1.28 -0.39 -3.67 1.61 8.25 -0.37 -4.85 115.22 117.08 1xr5 n HIS 228 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1xr5 n HIS 228 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 1xr5 n HIS 228 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xr5 s LEU 229 N 0.00 -0.22 -0.01 2.41 1.43 -1.26 -4.17 118.68 116.85 1xr5 s LEU 229 Ca 0.00 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.14 1xr5 s LEU 229 Cb 0.00 2.01 0.01 0.00 0.03 0.00 0.00 46.19 48.24 1xr5 s LEU 229 CO 0.00 -0.22 0.24 -0.04 0.23 0.00 0.00 176.35 176.56 1xr5 s MET 230 N 0.25 0.56 0.01 1.70 -1.94 0.14 -3.93 119.30 116.10 1xr5 s MET 230 Ca -0.00 -0.23 -0.06 0.00 -1.71 0.00 0.00 55.69 53.69 1xr5 s MET 230 Cb -0.04 0.25 -0.00 0.00 2.01 0.00 0.00 34.83 37.04 1xr5 s MET 230 CO 0.01 -0.14 0.10 0.00 -0.01 0.00 0.00 175.02 174.97 1xr5 s ALA 231 N -1.23 -0.20 0.20 3.03 0.00 -1.26 -0.67 121.76 121.63 1xr5 s ALA 231 Ca -0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 1xr5 s ALA 231 Cb -0.06 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1xr5 s ALA 231 CO 0.03 -0.21 0.14 -0.06 0.00 0.00 0.00 175.76 175.66 1xr5 s PHE 232 N -1.57 1.10 -0.08 0.00 0.40 -1.15 -3.98 117.98 112.70 1xr5 s PHE 232 Ca -0.14 -1.34 -0.30 0.00 -0.60 0.00 0.00 56.93 54.55 1xr5 s PHE 232 Cb -0.07 -0.52 0.08 0.00 0.51 0.00 0.00 43.02 43.02 1xr5 s PHE 232 CO 0.00 -0.65 0.73 0.34 0.70 0.00 0.00 175.22 176.34 1xr5 s ASP 233 N -3.15 -0.62 0.26 1.36 -1.08 -0.12 -1.97 116.67 111.35 1xr5 s ASP 233 Ca 0.37 0.73 0.10 0.00 -0.52 0.00 0.00 52.55 53.23 1xr5 s ASP 233 Cb 0.07 0.58 -0.04 0.00 -1.46 0.00 0.00 42.92 42.06 1xr5 s ASP 233 CO 0.11 -0.54 -0.03 -0.31 0.52 0.00 0.00 175.17 174.92 1xr5 s TYR 234 N -1.05 2.64 -0.19 -5.34 4.12 -1.26 0.58 117.35 116.86 1xr5 s TYR 234 Ca -0.09 -0.23 -0.10 0.00 0.02 0.00 0.00 57.07 56.67 1xr5 s TYR 234 Cb -0.00 -1.18 -0.05 0.00 -1.52 0.00 0.00 41.96 39.21 1xr5 s TYR 234 CO 0.08 0.63 0.15 -1.54 0.02 0.00 0.00 175.55 174.88 1xr5 s SER 235 N -3.60 6.26 -1.09 2.29 1.04 -0.86 -4.55 113.70 113.18 1xr5 s SER 235 Ca 0.31 0.29 -0.22 0.00 0.48 0.00 0.00 55.95 56.81 1xr5 s SER 235 Cb -0.06 -2.10 0.01 0.00 0.10 0.00 0.00 66.02 63.97 1xr5 s SER 235 CO 0.19 0.20 0.71 0.59 0.98 0.00 0.00 173.24 175.92 1xr5 n ASN 236 N 3.32 -4.93 0.52 7.02 3.02 -1.26 -4.55 115.26 118.40 1xr5 n ASN 236 Ca -0.16 -1.07 -0.21 0.00 -0.03 0.00 0.00 54.58 53.11 1xr5 n ASN 236 Cb 0.52 -2.51 -0.10 0.00 -0.61 0.00 0.00 39.78 37.08 1xr5 n ASN 236 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1xr5 h PHE 237 N -1.79 -1.21 -0.16 3.10 3.57 -1.93 -2.80 116.94 115.72 1xr5 h PHE 237 Ca -0.64 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 60.88 1xr5 h PHE 237 Cb 1.37 0.40 -0.07 0.00 2.79 0.00 0.00 35.95 40.44 1xr5 h PHE 237 CO 0.32 -0.75 -0.36 -0.44 -2.23 0.00 0.00 178.31 174.84 1xr5 h ASP 238 N -1.31 -1.14 0.09 0.41 3.45 -1.91 -1.65 116.42 114.35 1xr5 h ASP 238 Ca -0.13 0.16 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 1xr5 h ASP 238 Cb 1.00 0.48 -0.00 0.00 -0.56 0.00 0.00 39.33 40.25 1xr5 h ASP 238 CO 0.22 -0.38 -0.07 0.00 -1.57 0.00 0.00 179.24 177.43 1xr5 h ALA 239 N 0.32 1.77 -0.00 3.45 0.00 -1.80 -0.14 119.26 122.86 1xr5 h ALA 239 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xr5 h ALA 239 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xr5 h ALA 239 CO -0.39 0.09 -0.04 -1.13 0.00 0.00 0.00 179.25 177.78 1xr5 n SER 240 N -4.28 0.16 -4.56 0.00 3.41 -0.62 -0.36 113.62 107.36 1xr5 n SER 240 Ca -0.03 -0.38 -0.37 0.00 -0.26 0.00 0.00 58.87 57.83 1xr5 n SER 240 Cb 0.15 -0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 63.88 1xr5 n SER 240 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xr5 s LEU 241 N -2.48 3.41 0.51 1.04 1.02 -1.13 -4.14 118.68 116.92 1xr5 s LEU 241 Ca 0.31 -1.25 -0.22 0.00 0.02 0.00 0.00 54.13 52.99 1xr5 s LEU 241 Cb 0.20 -2.57 -0.07 0.00 0.02 0.00 0.00 46.19 43.78 1xr5 s LEU 241 CO 0.46 -1.85 1.12 -1.20 0.02 0.00 0.00 176.35 174.89 1xr5 n SER 242 N 10.32 1.64 -0.40 2.29 7.64 -1.26 -1.97 113.62 131.86 1xr5 n SER 242 Ca 0.35 0.95 0.35 0.00 1.01 0.00 0.00 58.87 61.54 1xr5 n SER 242 Cb 0.50 -1.44 0.68 0.00 -1.01 0.00 0.00 64.21 62.94 1xr5 n SER 242 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1xr5 h PRO 243 N 1.23 0.11 -0.88 1.43 0.11 -1.88 -2.39 132.00 129.73 1xr5 h PRO 243 Ca -0.48 -0.01 0.21 0.00 0.11 0.00 0.00 66.00 65.83 1xr5 h PRO 243 Cb 1.33 -0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.30 1xr5 h PRO 243 CO 0.55 0.07 0.39 0.28 -0.21 0.00 0.00 178.00 179.08 1xr5 h VAL 244 N 0.11 0.50 -0.23 3.15 2.07 -1.84 0.11 116.25 120.13 1xr5 h VAL 244 Ca 0.68 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 68.01 1xr5 h VAL 244 Cb 2.37 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1xr5 h VAL 244 CO -0.16 0.08 -0.05 -0.50 0.02 0.00 0.00 177.57 176.95 1xr5 h TRP 245 N 0.41 0.36 -0.17 1.57 -0.00 -1.77 -1.82 115.95 114.54 1xr5 h TRP 245 Ca 0.54 -0.03 -0.14 0.00 -0.00 0.00 0.00 58.89 59.26 1xr5 h TRP 245 Cb 1.00 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 30.05 1xr5 h TRP 245 CO -0.14 0.41 -0.48 0.74 -0.00 0.00 0.00 178.44 178.97 1xr5 h PHE 246 N 0.33 0.54 0.00 0.49 0.04 -0.96 -0.46 116.94 116.92 1xr5 h PHE 246 Ca 0.07 -0.17 -0.05 0.00 2.80 0.00 0.00 57.97 60.62 1xr5 h PHE 246 Cb 0.31 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 1xr5 h PHE 246 CO 0.01 0.84 -0.25 -0.24 -0.60 0.00 0.00 178.31 178.06 1xr5 h VAL 247 N 0.35 0.68 0.15 -0.55 3.04 -0.67 -1.60 116.25 117.65 1xr5 h VAL 247 Ca 0.02 -1.10 -0.28 0.00 -1.01 0.00 0.00 66.70 64.32 1xr5 h VAL 247 Cb 0.97 1.71 0.03 0.00 -2.01 0.00 0.00 31.29 31.99 1xr5 h VAL 247 CO 0.08 0.24 -1.20 0.00 -1.01 0.00 0.00 177.57 175.69 1xr5 h LEU 249 N 0.14 0.82 0.25 0.00 5.85 -0.72 -0.33 115.31 121.32 1xr5 h LEU 249 Ca -0.19 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1xr5 h LEU 249 Cb 1.90 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.72 1xr5 h LEU 249 CO 0.23 0.64 -0.12 -0.08 -0.34 0.00 0.00 178.44 178.76 1xr5 h GLU 250 N 0.94 -0.33 -0.87 1.25 4.81 -1.41 -2.38 114.58 116.59 1xr5 h GLU 250 Ca 0.25 0.02 0.24 0.00 -0.13 0.00 0.00 59.36 59.75 1xr5 h GLU 250 Cb -0.04 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 1xr5 h GLU 250 CO -0.05 -0.13 0.62 -0.22 -0.73 0.00 0.00 179.01 178.50 1xr5 h LYS 251 N -0.47 0.06 0.03 1.92 3.64 -0.87 0.89 116.57 121.78 1xr5 h LYS 251 Ca -0.03 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1xr5 h LYS 251 Cb 0.35 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1xr5 h LYS 251 CO 0.06 0.04 -0.02 0.28 -2.27 0.00 0.00 179.45 177.54 1xr5 h VAL 252 N 0.06 1.40 -0.38 2.00 2.07 -0.75 -2.77 116.25 117.88 1xr5 h VAL 252 Ca 0.42 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1xr5 h VAL 252 Cb 1.59 2.40 -0.02 0.00 -1.52 0.00 0.00 31.29 33.74 1xr5 h VAL 252 CO -0.03 0.38 0.15 -0.07 0.02 0.00 0.00 177.57 178.02 1xr5 h LEU 253 N -0.74 0.49 -0.23 2.57 3.38 -0.82 -1.13 115.31 118.82 1xr5 h LEU 253 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xr5 h LEU 253 Cb 0.66 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1xr5 h LEU 253 CO 0.01 0.45 0.15 0.74 0.09 0.00 0.00 178.44 179.88 1xr5 h THR 254 N 0.54 1.06 0.00 0.22 2.02 -0.91 -2.09 112.91 113.75 1xr5 h THR 254 Ca 0.13 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 1xr5 h THR 254 Cb 0.12 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1xr5 h THR 254 CO -0.01 0.06 -0.27 0.11 0.37 0.00 0.00 175.52 175.78 1xr5 h LYS 255 N 0.31 0.00 0.00 6.66 1.57 -1.10 -2.52 116.57 121.49 1xr5 h LYS 255 Ca 0.08 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1xr5 h LYS 255 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1xr5 h LYS 255 CO -0.02 0.27 -0.33 -0.07 -0.57 0.00 0.00 179.45 178.73 1xr5 h LEU 256 N 0.00 0.00 0.00 2.94 3.38 -0.90 -3.47 115.31 117.26 1xr5 h LEU 256 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xr5 h LEU 256 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1xr5 h LEU 256 CO 0.03 0.33 0.00 0.61 0.09 0.00 0.00 178.44 179.50 1xr5 n GLY 257 N 0.04 1.27 3.40 0.83 0.00 -0.95 -4.89 105.19 104.89 1xr5 n GLY 257 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1xr5 n GLY 257 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xr5 s PHE 258 N -2.00 3.02 -0.01 1.61 0.40 -0.83 -4.79 117.98 115.37 1xr5 s PHE 258 Ca 0.00 -1.04 -0.30 0.00 -0.60 0.00 0.00 56.93 54.99 1xr5 s PHE 258 Cb 0.00 -4.10 -0.07 0.00 0.51 0.00 0.00 43.02 39.36 1xr5 s PHE 258 CO 0.00 -1.37 1.73 0.00 0.70 0.00 0.00 175.22 176.28 1xr5 s ALA 259 N 2.75 3.62 0.00 5.36 0.00 -1.26 -2.24 121.76 129.98 1xr5 s ALA 259 Ca 0.18 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1xr5 s ALA 259 Cb -0.18 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.17 1xr5 s ALA 259 CO 0.03 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 174.80 1xr5 n GLY 260 N 4.21 1.33 0.27 0.00 0.00 -1.26 -4.96 105.19 104.78 1xr5 n GLY 260 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1xr5 n GLY 260 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xr5 h SER 261 N 0.27 0.00 -0.42 1.61 4.64 -1.78 0.15 113.55 118.02 1xr5 h SER 261 Ca 0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 1xr5 h SER 261 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1xr5 h SER 261 CO 0.00 0.00 0.29 0.28 -0.87 0.00 0.00 176.83 176.53 1xr5 h SER 262 N 0.00 0.21 -0.92 4.97 0.02 -1.93 -2.42 113.55 113.49 1xr5 h SER 262 Ca 0.00 0.00 0.22 0.00 -0.84 0.00 0.00 61.79 61.17 1xr5 h SER 262 Cb 0.55 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.98 1xr5 h SER 262 CO 0.00 0.14 0.61 -0.07 -1.14 0.00 0.00 176.83 176.37 1xr5 h LEU 263 N 0.24 0.34 -1.30 5.07 -0.00 -1.13 -2.54 115.31 115.99 1xr5 h LEU 263 Ca 0.19 0.04 0.07 0.00 -0.00 0.00 0.00 57.88 58.18 1xr5 h LEU 263 Cb 0.44 -0.02 -0.05 0.00 -0.00 0.00 0.00 40.66 41.03 1xr5 h LEU 263 CO -0.04 0.12 0.52 0.40 -0.00 0.00 0.00 178.44 179.44 1xr5 h ILE 264 N 0.33 1.03 -0.48 1.22 1.08 -1.62 0.96 117.51 120.03 1xr5 h ILE 264 Ca 0.48 -0.29 -0.03 0.00 -0.39 0.00 0.00 64.86 64.62 1xr5 h ILE 264 Cb 1.31 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.15 1xr5 h ILE 264 CO -0.16 0.15 0.16 0.06 -0.69 0.00 0.00 178.15 177.67 1xr5 h GLN 265 N 0.84 0.71 0.00 2.37 3.07 -1.64 -2.65 115.11 117.81 1xr5 h GLN 265 Ca 0.34 -0.11 0.00 0.00 0.09 0.00 0.00 58.65 58.97 1xr5 h GLN 265 Cb 0.26 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.70 1xr5 h GLN 265 CO -0.12 0.61 0.00 1.03 0.09 0.00 0.00 178.83 180.44 1xr5 h SER 266 N 0.70 0.00 0.00 0.06 0.87 -0.89 -2.64 113.55 111.64 1xr5 h SER 266 Ca 0.16 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.63 1xr5 h SER 266 Cb 0.20 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1xr5 h SER 266 CO -0.01 0.00 -2.02 2.30 -0.53 0.00 0.00 176.83 176.57 1xr5 n ILE 267 N -2.51 0.35 0.00 2.23 -5.35 -1.09 -4.62 119.36 108.37 1xr5 n ILE 267 Ca 0.00 -0.55 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 1xr5 n ILE 267 Cb 0.19 -0.11 0.00 0.00 -1.74 0.00 0.00 39.64 37.98 1xr5 n ILE 267 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xr5 s ASN 269 N -2.04 6.77 0.06 0.00 0.01 -1.15 -2.49 114.94 116.09 1xr5 s ASN 269 Ca 0.00 0.94 -0.06 0.00 -0.71 0.00 0.00 52.86 53.03 1xr5 s ASN 269 Cb 0.00 -2.37 -0.01 0.00 0.41 0.00 0.00 41.25 39.27 1xr5 s ASN 269 CO 0.00 -0.27 0.10 0.42 -1.51 0.00 0.00 177.10 175.84 1xr5 s THR 270 N 1.78 0.15 -0.09 1.60 -4.23 -0.99 -4.69 115.64 109.17 1xr5 s THR 270 Ca 0.31 -1.26 -0.03 0.00 -1.18 0.00 0.00 61.69 59.54 1xr5 s THR 270 Cb -0.16 -1.16 -0.04 0.00 1.34 0.00 0.00 72.50 72.49 1xr5 s THR 270 CO 0.12 -0.69 0.04 -1.00 -0.54 0.00 0.00 174.62 172.54 1xr5 s HIS 271 N -3.24 3.28 -0.01 3.99 3.76 -1.26 -1.45 115.29 120.35 1xr5 s HIS 271 Ca 0.00 0.28 0.05 0.00 -0.15 0.00 0.00 55.06 55.24 1xr5 s HIS 271 Cb 0.03 -1.82 -0.01 0.00 1.11 0.00 0.00 32.58 31.88 1xr5 s HIS 271 CO -0.08 0.54 -0.16 -1.01 -0.85 0.00 0.00 174.74 173.19 1xr5 s HIS 272 N -0.95 1.44 -0.67 1.40 3.76 -0.09 -1.16 115.29 119.02 1xr5 s HIS 272 Ca 0.15 -0.28 -0.03 0.00 -0.15 0.00 0.00 55.06 54.74 1xr5 s HIS 272 Cb -0.12 -0.92 0.17 0.00 1.11 0.00 0.00 32.58 32.83 1xr5 s HIS 272 CO 0.04 -0.02 0.51 0.42 -0.85 0.00 0.00 174.74 174.84 1xr5 s ILE 273 N -0.42 3.92 -0.41 0.60 1.01 0.12 -0.80 121.20 125.22 1xr5 s ILE 273 Ca 0.06 -3.06 -0.14 0.00 0.00 0.00 0.00 60.65 57.50 1xr5 s ILE 273 Cb -0.06 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.91 1xr5 s ILE 273 CO -0.00 -0.92 0.30 0.12 0.00 0.00 0.00 174.94 174.44 1xr5 s PHE 274 N -0.23 3.24 0.00 3.97 5.36 -1.08 -2.65 117.98 126.59 1xr5 s PHE 274 Ca 0.18 -0.72 0.00 0.00 -0.96 0.00 0.00 56.93 55.43 1xr5 s PHE 274 Cb -0.18 -2.65 0.00 0.00 -0.34 0.00 0.00 43.02 39.85 1xr5 s PHE 274 CO -0.05 -0.63 0.00 0.54 -1.46 0.00 0.00 175.22 173.62 1xr5 n ARG 275 N 5.13 0.00 0.00 10.12 1.74 -1.26 -3.74 116.66 128.65 1xr5 n ARG 275 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1xr5 n ARG 275 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 1xr5 n ARG 275 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1xr5 n ASP 276 N 4.33 0.00 0.00 0.55 5.75 -1.26 -1.18 116.55 124.74 1xr5 n ASP 276 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1xr5 n ASP 276 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1xr5 n ASP 276 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1xr5 n GLU 277 N -1.45 0.00 -3.23 0.11 2.13 -1.25 -3.95 120.64 113.00 1xr5 n GLU 277 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1xr5 n GLU 277 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 1xr5 n GLU 277 CO 0.00 0.00 0.00 -1.50 -0.41 0.00 0.00 177.13 175.22 1xr5 s ILE 278 N 0.00 5.02 0.47 6.31 -1.16 0.24 -2.62 121.20 129.46 1xr5 s ILE 278 Ca 0.00 0.51 -0.09 0.00 -0.51 0.00 0.00 60.65 60.56 1xr5 s ILE 278 Cb 0.00 -3.93 -0.05 0.00 0.61 0.00 0.00 42.46 39.09 1xr5 s ILE 278 CO 0.00 -0.14 0.82 -0.31 -2.81 0.00 0.00 174.94 172.50 1xr5 s TYR 279 N 2.40 3.53 -0.05 3.50 1.51 0.02 -1.88 117.35 126.38 1xr5 s TYR 279 Ca 0.20 1.00 0.01 0.00 -1.01 0.00 0.00 57.07 57.26 1xr5 s TYR 279 Cb -0.15 -2.43 0.02 0.00 -0.11 0.00 0.00 41.96 39.29 1xr5 s TYR 279 CO 0.12 -0.27 -0.04 0.54 -1.11 0.00 0.00 175.55 174.80 1xr5 s VAL 280 N -2.65 0.51 0.09 0.71 0.11 -0.43 -0.91 120.40 117.83 1xr5 s VAL 280 Ca 0.50 -0.09 0.09 0.00 -2.93 0.00 0.00 61.98 59.55 1xr5 s VAL 280 Cb -0.10 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 1xr5 s VAL 280 CO 0.40 0.23 -0.19 0.68 -3.33 0.00 0.00 175.10 172.89 1xr5 s VAL 281 N 1.07 2.75 -0.32 2.04 -7.23 -0.53 -1.96 120.40 116.22 1xr5 s VAL 281 Ca -0.09 -1.43 -0.06 0.00 -1.81 0.00 0.00 61.98 58.59 1xr5 s VAL 281 Cb -0.14 -2.22 0.03 0.00 0.56 0.00 0.00 36.38 34.61 1xr5 s VAL 281 CO -0.01 0.18 0.09 -0.70 -0.31 0.00 0.00 175.10 174.34 1xr5 s GLU 282 N -1.90 2.74 0.57 4.82 2.12 -0.80 -2.35 118.70 123.89 1xr5 s GLU 282 Ca 0.16 -1.10 0.00 0.00 0.36 0.00 0.00 54.97 54.40 1xr5 s GLU 282 Cb -0.10 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.88 1xr5 s GLU 282 CO 0.08 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 174.61 1xr5 n GLY 283 N 4.81 -1.79 1.02 -1.50 0.00 -1.04 -2.33 105.19 104.37 1xr5 n GLY 283 Ca -0.13 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1xr5 n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xr5 n GLY 284 N 0.00 -4.25 3.70 -0.02 0.00 -0.83 -4.64 105.19 99.13 1xr5 n GLY 284 Ca 0.00 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1xr5 n GLY 284 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xr5 s MET 285 N -3.14 4.46 -0.32 1.61 -1.94 -0.08 -4.72 119.30 115.17 1xr5 s MET 285 Ca 0.00 1.33 -0.28 0.00 -1.71 0.00 0.00 55.69 55.03 1xr5 s MET 285 Cb 0.00 -3.51 -0.02 0.00 2.01 0.00 0.00 34.83 33.30 1xr5 s MET 285 CO 0.00 -0.20 1.87 -2.14 -0.01 0.00 0.00 175.02 174.54 1xr5 s PRO 286 N 1.61 3.27 -0.90 2.03 0.02 -1.26 -4.54 135.00 135.22 1xr5 s PRO 286 Ca 0.48 1.49 -0.25 0.00 0.02 0.00 0.00 61.00 62.74 1xr5 s PRO 286 Cb -0.19 -4.23 -0.10 0.00 0.02 0.00 0.00 34.50 30.00 1xr5 s PRO 286 CO 0.21 -1.94 2.13 -1.54 -0.33 0.00 0.00 177.00 175.53 1xr5 s SER 287 N 6.56 4.51 0.00 2.53 1.04 -1.26 -2.14 113.70 124.93 1xr5 s SER 287 Ca 0.83 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1xr5 s SER 287 Cb -0.24 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.32 1xr5 s SER 287 CO 0.33 -3.38 0.00 0.61 0.98 0.00 0.00 173.24 171.78 1xr5 n GLY 288 N 6.68 1.96 2.02 7.32 0.00 -1.26 -2.29 105.19 119.62 1xr5 n GLY 288 Ca 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.29 1xr5 n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr5 n SER 290 N -3.81 0.00 -1.96 0.00 2.88 -1.26 -3.90 113.62 105.57 1xr5 n SER 290 Ca 0.09 0.85 -0.20 0.00 -1.33 0.00 0.00 58.87 58.28 1xr5 n SER 290 Cb 0.32 -0.40 0.11 0.00 -0.75 0.00 0.00 64.21 63.49 1xr5 n SER 290 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xr5 n GLY 291 N -0.61 4.14 0.35 0.46 0.00 -1.26 -4.70 105.19 103.58 1xr5 n GLY 291 Ca 0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 1xr5 n GLY 291 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xr5 h THR 292 N 0.81 0.18 -0.31 2.61 2.02 -1.89 0.10 112.91 116.43 1xr5 h THR 292 Ca 0.47 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.69 1xr5 h THR 292 Cb 2.00 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 1xr5 h THR 292 CO 0.91 0.00 0.05 0.28 0.37 0.00 0.00 175.52 177.13 1xr5 h SER 293 N -0.19 -0.01 -0.39 4.18 0.02 -1.90 -1.04 113.55 114.21 1xr5 h SER 293 Ca 0.21 0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 61.11 1xr5 h SER 293 Cb 0.55 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1xr5 h SER 293 CO -0.64 0.03 -0.16 0.40 -1.14 0.00 0.00 176.83 175.32 1xr5 h ILE 294 N 0.16 1.28 -0.27 3.27 2.04 -1.79 -2.84 117.51 119.35 1xr5 h ILE 294 Ca 0.14 -1.28 -0.14 0.00 1.00 0.00 0.00 64.86 64.59 1xr5 h ILE 294 Cb 0.16 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1xr5 h ILE 294 CO -0.20 0.43 -0.39 -0.26 0.00 0.00 0.00 178.15 177.73 1xr5 h PHE 295 N 0.61 0.77 0.25 1.37 0.05 -0.59 -2.20 116.94 117.20 1xr5 h PHE 295 Ca 0.09 -0.22 -0.01 0.00 3.82 0.00 0.00 57.97 61.65 1xr5 h PHE 295 Cb 0.70 -0.17 -0.00 0.00 2.00 0.00 0.00 35.95 38.48 1xr5 h PHE 295 CO 0.06 0.94 -0.16 -0.91 -0.18 0.00 0.00 178.31 178.06 1xr5 h ASN 296 N 0.53 -0.40 -0.51 2.17 2.35 -1.20 -1.47 115.58 117.06 1xr5 h ASN 296 Ca 0.05 0.03 0.09 0.00 -0.55 0.00 0.00 56.30 55.92 1xr5 h ASN 296 Cb 0.92 0.12 -0.08 0.00 0.05 0.00 0.00 38.32 39.33 1xr5 h ASN 296 CO 0.08 -0.25 0.07 0.28 -1.65 0.00 0.00 177.43 175.96 1xr5 h SER 297 N -0.40 -0.07 -0.74 5.81 0.02 -1.43 0.28 113.55 117.03 1xr5 h SER 297 Ca -0.02 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1xr5 h SER 297 Cb 0.33 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 1xr5 h SER 297 CO 0.02 -0.01 0.48 0.24 -1.14 0.00 0.00 176.83 176.42 1xr5 h MET 298 N 0.20 0.94 -0.39 3.45 2.86 -1.23 0.07 114.93 120.82 1xr5 h MET 298 Ca 0.26 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.71 1xr5 h MET 298 Cb 0.37 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1xr5 h MET 298 CO -0.37 0.62 -0.29 0.82 1.06 0.00 0.00 176.91 178.75 1xr5 h ILE 299 N 0.97 1.28 -0.56 -1.22 2.04 -0.38 -1.71 117.51 117.93 1xr5 h ILE 299 Ca 0.28 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 1xr5 h ILE 299 Cb -0.07 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1xr5 h ILE 299 CO -0.08 0.48 0.30 -1.13 0.00 0.00 0.00 178.15 177.73 1xr5 h ASN 300 N 0.71 0.71 -0.91 1.72 -0.00 0.17 0.38 115.58 118.36 1xr5 h ASN 300 Ca 0.08 -0.10 0.07 0.00 -0.00 0.00 0.00 56.30 56.35 1xr5 h ASN 300 Cb 0.84 -0.18 -0.06 0.00 -0.00 0.00 0.00 38.32 38.92 1xr5 h ASN 300 CO 0.07 0.60 0.59 0.78 -0.00 0.00 0.00 177.43 179.48 1xr5 h ASN 301 N 0.76 0.91 -0.38 1.15 2.35 -0.83 -1.02 115.58 118.52 1xr5 h ASN 301 Ca 0.20 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 1xr5 h ASN 301 Cb 0.06 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1xr5 h ASN 301 CO -0.03 0.58 0.06 0.40 -1.65 0.00 0.00 177.43 176.79 1xr5 h ILE 302 N 1.03 1.24 0.52 2.81 1.08 -0.24 -3.13 117.51 120.81 1xr5 h ILE 302 Ca 0.39 -0.86 -0.03 0.00 -0.39 0.00 0.00 64.86 63.98 1xr5 h ILE 302 Cb 0.21 1.07 0.01 0.00 -3.07 0.00 0.00 36.82 35.04 1xr5 h ILE 302 CO -0.15 0.29 -0.25 0.40 -0.69 0.00 0.00 178.15 177.75 1xr5 h ILE 303 N 0.46 0.38 -0.41 -0.67 2.04 0.85 -1.87 117.51 118.30 1xr5 h ILE 303 Ca 0.11 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1xr5 h ILE 303 Cb 0.37 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1xr5 h ILE 303 CO 0.01 0.05 0.14 0.16 0.00 0.00 0.00 178.15 178.51 1xr5 h ILE 304 N -0.96 1.17 -0.65 -0.67 -2.65 -1.38 0.72 117.51 113.10 1xr5 h ILE 304 Ca -0.07 -0.56 0.06 0.00 1.03 0.00 0.00 64.86 65.32 1xr5 h ILE 304 Cb 0.61 0.71 -0.05 0.00 -2.05 0.00 0.00 36.82 36.04 1xr5 h ILE 304 CO 0.12 0.21 0.36 0.03 0.03 0.00 0.00 178.15 178.90 1xr5 h ARG 305 N 0.58 0.65 0.15 0.16 3.08 -1.51 -1.16 114.38 116.33 1xr5 h ARG 305 Ca 0.14 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1xr5 h ARG 305 Cb 0.16 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1xr5 h ARG 305 CO -0.01 0.43 -0.07 1.15 -1.07 0.00 0.00 179.97 180.40 1xr5 h THR 306 N 0.67 0.99 -0.79 2.04 2.02 -0.27 -2.56 112.91 115.01 1xr5 h THR 306 Ca 0.29 -0.77 0.07 0.00 0.77 0.00 0.00 66.41 66.77 1xr5 h THR 306 Cb 0.18 1.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 1xr5 h THR 306 CO -0.18 0.18 0.52 -0.07 0.37 0.00 0.00 175.52 176.34 1xr5 h LEU 307 N -0.58 0.74 -0.20 2.58 3.38 -0.84 0.29 115.31 120.67 1xr5 h LEU 307 Ca -0.02 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.74 1xr5 h LEU 307 Cb 0.44 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.05 1xr5 h LEU 307 CO 0.03 0.47 -0.71 0.40 0.09 0.00 0.00 178.44 178.73 1xr5 h ILE 308 N 0.83 1.27 -0.39 1.22 2.04 -1.18 -0.44 117.51 120.87 1xr5 h ILE 308 Ca 0.35 -1.90 -0.08 0.00 1.00 0.00 0.00 64.86 64.23 1xr5 h ILE 308 Cb 0.28 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1xr5 h ILE 308 CO -0.12 0.61 -0.08 -0.07 0.00 0.00 0.00 178.15 178.48 1xr5 h LEU 309 N 0.59 0.65 -0.82 1.44 3.38 -1.04 0.03 115.31 119.54 1xr5 h LEU 309 Ca -0.03 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1xr5 h LEU 309 Cb 1.33 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1xr5 h LEU 309 CO 0.15 0.78 0.40 0.44 0.09 0.00 0.00 178.44 180.30 1xr5 h ASP 310 N 0.62 1.07 0.23 -0.43 5.19 -0.75 -3.28 116.42 119.08 1xr5 h ASP 310 Ca 0.11 -0.13 -0.35 0.00 -0.62 0.00 0.00 57.03 56.05 1xr5 h ASP 310 Cb 0.51 -0.27 0.01 0.00 0.18 0.00 0.00 39.33 39.76 1xr5 h ASP 310 CO 0.03 0.90 -1.68 0.00 -3.12 0.00 0.00 179.24 175.37 1xr5 h ALA 311 N 1.21 0.11 -1.95 3.45 0.00 -0.78 -3.48 119.26 117.82 1xr5 h ALA 311 Ca 0.28 -1.09 -0.54 0.00 0.00 0.00 0.00 54.91 53.56 1xr5 h ALA 311 Cb 0.11 0.39 -0.14 0.00 0.00 0.00 0.00 17.79 18.15 1xr5 h ALA 311 CO -0.04 0.98 -0.64 0.71 0.00 0.00 0.00 179.25 180.26 1xr5 s TYR 312 N -2.59 2.16 -0.00 0.00 2.02 -0.03 -5.09 117.35 113.83 1xr5 s TYR 312 Ca -0.14 -0.72 -0.00 0.00 -0.37 0.00 0.00 57.07 55.84 1xr5 s TYR 312 Cb 0.05 -1.35 -0.00 0.00 -0.40 0.00 0.00 41.96 40.26 1xr5 s TYR 312 CO 0.87 0.31 -0.00 1.17 -1.57 0.00 0.00 175.55 176.33 1xr5 n LYS 313 N -0.73 0.01 -2.75 -0.62 3.00 -1.26 -4.57 118.16 111.23 1xr5 n LYS 313 Ca -0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.83 1xr5 n LYS 313 Cb 0.65 -0.29 0.00 0.00 0.00 0.00 0.00 35.03 35.39 1xr5 n LYS 313 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xr5 n GLY 314 N 2.38 3.90 2.98 3.14 0.00 -1.26 -4.95 105.19 111.38 1xr5 n GLY 314 Ca -0.00 -2.07 -0.26 0.00 0.00 0.00 0.00 46.02 43.69 1xr5 n GLY 314 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xr5 s ILE 315 N 1.00 1.17 -0.29 -0.61 2.07 -1.26 -5.10 121.20 118.18 1xr5 s ILE 315 Ca 0.41 -0.43 -0.25 0.00 -1.41 0.00 0.00 60.65 58.97 1xr5 s ILE 315 Cb 0.01 -1.12 0.00 0.00 0.13 0.00 0.00 42.46 41.48 1xr5 s ILE 315 CO 0.00 0.38 0.86 -0.62 -1.91 0.00 0.00 174.94 173.66 1xr5 s ASP 316 N 1.22 6.77 0.47 4.50 2.15 -1.26 -4.95 116.67 125.57 1xr5 s ASP 316 Ca -0.04 0.86 0.27 0.00 0.43 0.00 0.00 52.55 54.07 1xr5 s ASP 316 Cb -0.14 -2.45 0.99 0.00 -0.30 0.00 0.00 42.92 41.02 1xr5 s ASP 316 CO -0.03 -0.64 1.85 -0.07 -0.17 0.00 0.00 175.17 176.10 1xr5 h LEU 317 N 9.50 0.00 -1.87 -1.34 3.38 -1.99 -3.12 115.31 119.87 1xr5 h LEU 317 Ca -0.23 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1xr5 h LEU 317 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1xr5 h LEU 317 CO 0.91 0.15 -0.13 0.44 0.09 0.00 0.00 178.44 179.90 1xr5 h ASP 318 N 0.00 0.00 0.43 -0.43 3.45 -2.00 -2.25 116.42 115.62 1xr5 h ASP 318 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1xr5 h ASP 318 Cb 0.71 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.48 1xr5 h ASP 318 CO 0.02 0.13 -0.81 0.29 -1.57 0.00 0.00 179.24 177.30 1xr5 n LYS 319 N -4.00 0.15 -2.23 3.56 5.02 -1.18 -4.79 118.16 114.69 1xr5 n LYS 319 Ca -0.02 0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.85 1xr5 n LYS 319 Cb 0.22 -1.56 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 1xr5 n LYS 319 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xr5 s LEU 320 N -3.51 4.04 -0.11 -0.35 2.96 -0.85 -4.55 118.68 116.31 1xr5 s LEU 320 Ca 0.07 1.67 0.01 0.00 -0.22 0.00 0.00 54.13 55.66 1xr5 s LEU 320 Cb 0.16 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.30 1xr5 s LEU 320 CO 0.77 -1.04 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.07 1xr5 s LYS 321 N 4.17 3.22 0.10 1.98 1.02 -0.73 -5.00 119.74 124.49 1xr5 s LYS 321 Ca 0.65 -0.73 0.06 0.00 0.02 0.00 0.00 55.97 55.97 1xr5 s LYS 321 Cb -0.24 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.50 1xr5 s LYS 321 CO 0.24 0.25 -0.16 0.42 -0.92 0.00 0.00 175.35 175.18 1xr5 s ILE 322 N 0.23 1.38 -0.20 2.17 1.01 -1.26 -1.25 121.20 123.28 1xr5 s ILE 322 Ca -0.10 -1.50 -0.04 0.00 0.00 0.00 0.00 60.65 59.01 1xr5 s ILE 322 Cb -0.16 -1.36 0.10 0.00 0.01 0.00 0.00 42.46 41.05 1xr5 s ILE 322 CO 0.06 -0.22 0.26 -0.22 0.00 0.00 0.00 174.94 174.82 1xr5 s LEU 323 N -2.00 -0.25 -0.02 2.97 2.96 -0.47 -4.33 118.68 117.54 1xr5 s LEU 323 Ca 0.04 0.01 0.06 0.00 -0.22 0.00 0.00 54.13 54.02 1xr5 s LEU 323 Cb -0.09 0.58 -0.01 0.00 0.50 0.00 0.00 46.19 47.17 1xr5 s LEU 323 CO 0.03 -0.31 -0.20 0.00 -1.32 0.00 0.00 176.35 174.56 1xr5 s ALA 324 N 2.39 1.69 -0.58 5.97 0.00 -0.80 -1.41 121.76 129.01 1xr5 s ALA 324 Ca 0.07 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.22 1xr5 s ALA 324 Cb -0.15 -0.46 0.15 0.00 0.00 0.00 0.00 23.12 22.66 1xr5 s ALA 324 CO -0.12 0.39 0.38 -0.47 0.00 0.00 0.00 175.76 175.93 1xr5 s TYR 325 N -0.35 2.91 0.00 0.00 6.14 -0.75 -1.90 117.35 123.40 1xr5 s TYR 325 Ca 0.05 -3.03 0.00 0.00 0.64 0.00 0.00 57.07 54.73 1xr5 s TYR 325 Cb -0.09 -2.38 0.00 0.00 0.42 0.00 0.00 41.96 39.91 1xr5 s TYR 325 CO 0.00 -0.66 0.00 0.41 0.64 0.00 0.00 175.55 175.94 1xr5 n GLY 326 N 2.61 1.47 0.16 8.97 0.00 -1.26 -3.15 105.19 113.98 1xr5 n GLY 326 Ca 0.16 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.70 1xr5 n GLY 326 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1xr5 h ASP 327 N 0.00 0.00 -2.65 1.61 -0.00 -1.94 -3.38 116.42 110.05 1xr5 h ASP 327 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 57.03 56.51 1xr5 h ASP 327 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 39.33 39.39 1xr5 h ASP 327 CO 0.00 0.51 1.02 -1.81 -0.00 0.00 0.00 179.24 178.97 1xr5 s ASP 328 N -6.77 6.39 0.08 4.15 1.01 -1.19 -4.35 116.67 115.99 1xr5 s ASP 328 Ca -0.01 2.85 0.06 0.00 0.71 0.00 0.00 52.55 56.16 1xr5 s ASP 328 Cb 0.13 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1xr5 s ASP 328 CO 0.74 -0.97 -0.17 -0.76 0.21 0.00 0.00 175.17 174.21 1xr5 s LEU 329 N 1.39 2.26 -0.01 1.23 1.43 -0.83 -1.80 118.68 122.34 1xr5 s LEU 329 Ca 0.75 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1xr5 s LEU 329 Cb -0.49 -0.70 0.01 0.00 0.03 0.00 0.00 46.19 45.04 1xr5 s LEU 329 CO 0.33 0.01 -0.01 -0.63 0.23 0.00 0.00 176.35 176.27 1xr5 s ILE 330 N -1.13 0.13 -0.00 -0.59 1.01 -0.50 -2.94 121.20 117.17 1xr5 s ILE 330 Ca 0.02 -0.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.59 1xr5 s ILE 330 Cb -0.10 -0.16 0.00 0.00 0.01 0.00 0.00 42.46 42.22 1xr5 s ILE 330 CO 0.03 0.07 0.16 0.54 0.00 0.00 0.00 174.94 175.74 1xr5 s VAL 331 N 0.35 0.08 -0.00 2.92 0.11 0.16 -1.37 120.40 122.64 1xr5 s VAL 331 Ca -0.03 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 1xr5 s VAL 331 Cb -0.05 -0.45 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 1xr5 s VAL 331 CO -0.01 -0.36 -0.00 -0.94 -3.33 0.00 0.00 175.10 170.46 1xr5 s SER 332 N -1.34 0.09 0.01 3.54 1.04 -0.38 -0.68 113.70 115.98 1xr5 s SER 332 Ca -0.14 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1xr5 s SER 332 Cb -0.07 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 1xr5 s SER 332 CO 0.02 -0.01 -0.02 -0.47 0.98 0.00 0.00 173.24 173.74 1xr5 s TYR 333 N 0.15 0.13 0.58 5.02 5.04 -1.26 -1.77 117.35 125.23 1xr5 s TYR 333 Ca -0.01 -0.23 0.29 0.00 -2.44 0.00 0.00 57.07 54.68 1xr5 s TYR 333 Cb -0.02 -0.09 1.45 0.00 0.35 0.00 0.00 41.96 43.65 1xr5 s TYR 333 CO -0.00 -0.08 1.87 -1.35 -1.34 0.00 0.00 175.55 174.64 1xr5 h PRO 334 N 5.49 0.00 -6.24 4.97 0.11 -1.89 -0.96 132.00 133.47 1xr5 h PRO 334 Ca -0.28 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.26 1xr5 h PRO 334 Cb 1.21 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.22 1xr5 h PRO 334 CO 0.47 0.00 -0.66 -0.47 -0.21 0.00 0.00 178.00 177.13 1xr5 s TYR 335 N -4.71 2.68 -0.72 0.65 5.04 -1.26 -4.62 117.35 114.41 1xr5 s TYR 335 Ca -0.04 -0.22 -0.24 0.00 -2.44 0.00 0.00 57.07 54.12 1xr5 s TYR 335 Cb 0.17 -1.21 0.05 0.00 0.35 0.00 0.00 41.96 41.33 1xr5 s TYR 335 CO 0.61 0.60 1.13 -2.00 -1.34 0.00 0.00 175.55 174.55 1xr5 s GLU 336 N -3.50 3.18 0.39 4.97 2.12 -1.26 -4.73 118.70 119.86 1xr5 s GLU 336 Ca 0.30 -0.61 -0.06 0.00 0.36 0.00 0.00 54.97 54.97 1xr5 s GLU 336 Cb -0.07 -4.27 -0.05 0.00 0.26 0.00 0.00 34.13 30.01 1xr5 s GLU 336 CO 0.19 -1.98 0.68 -0.51 -0.54 0.00 0.00 175.26 173.10 1xr5 s LEU 337 N 4.80 3.86 -0.37 2.70 1.43 -1.26 -5.06 118.68 124.78 1xr5 s LEU 337 Ca 0.29 0.86 -0.14 0.00 -1.03 0.00 0.00 54.13 54.11 1xr5 s LEU 337 Cb -0.12 -3.74 -0.00 0.00 0.03 0.00 0.00 46.19 42.35 1xr5 s LEU 337 CO 0.11 -0.38 0.29 -0.62 0.23 0.00 0.00 176.35 175.98 1xr5 s ASP 338 N -3.55 6.11 0.16 2.29 2.15 -1.26 -4.98 116.67 117.59 1xr5 s ASP 338 Ca 0.46 -0.58 -0.17 0.00 0.43 0.00 0.00 52.55 52.70 1xr5 s ASP 338 Cb -0.10 -2.16 0.09 0.00 -0.30 0.00 0.00 42.92 40.44 1xr5 s ASP 338 CO 0.36 -0.35 1.69 -0.65 -0.17 0.00 0.00 175.17 176.04 1xr5 h PRO 339 N 8.55 0.06 -0.33 4.34 0.11 -1.95 -2.49 132.00 140.29 1xr5 h PRO 339 Ca -0.29 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.88 1xr5 h PRO 339 Cb 1.14 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 1xr5 h PRO 339 CO 0.69 0.04 -0.13 0.37 -0.21 0.00 0.00 178.00 178.76 1xr5 h GLN 340 N 0.06 -0.06 -0.38 1.05 -0.00 -1.93 -1.46 115.11 112.39 1xr5 h GLN 340 Ca 0.18 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.90 1xr5 h GLN 340 Cb 0.27 0.01 -0.09 0.00 0.00 0.00 0.00 27.48 27.67 1xr5 h GLN 340 CO -0.34 -0.04 -0.45 0.28 0.00 0.00 0.00 178.83 178.28 1xr5 h VAL 341 N -0.06 0.09 -0.55 2.39 2.07 -1.88 -2.19 116.25 116.12 1xr5 h VAL 341 Ca 0.17 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.79 1xr5 h VAL 341 Cb 0.31 0.09 -0.08 0.00 -1.52 0.00 0.00 31.29 30.10 1xr5 h VAL 341 CO -0.38 0.00 0.09 -0.07 0.02 0.00 0.00 177.57 177.23 1xr5 h LEU 342 N -0.36 -0.05 -0.40 2.57 4.07 -1.11 -1.86 115.31 118.18 1xr5 h LEU 342 Ca 0.12 0.11 0.04 0.00 0.08 0.00 0.00 57.88 58.22 1xr5 h LEU 342 Cb 0.59 0.16 -0.04 0.00 1.08 0.00 0.00 40.66 42.45 1xr5 h LEU 342 CO -0.56 -0.00 0.18 0.00 -1.08 0.00 0.00 178.44 176.97 1xr5 h ALA 343 N 1.45 0.48 0.02 1.53 0.00 -0.70 -1.47 119.26 120.56 1xr5 h ALA 343 Ca 0.28 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1xr5 h ALA 343 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1xr5 h ALA 343 CO -0.38 -0.20 -0.01 1.15 0.00 0.00 0.00 179.25 179.81 1xr5 h THR 344 N 0.36 0.99 -0.71 0.00 2.02 -1.05 -2.92 112.91 111.60 1xr5 h THR 344 Ca 0.17 -0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.43 1xr5 h THR 344 Cb 0.11 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1xr5 h THR 344 CO -0.14 0.00 0.47 -0.07 0.37 0.00 0.00 175.52 176.14 1xr5 h LEU 345 N -0.02 0.61 -0.48 2.58 -0.00 -0.85 -0.39 115.31 116.76 1xr5 h LEU 345 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1xr5 h LEU 345 Cb 0.02 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.55 1xr5 h LEU 345 CO 0.00 0.39 0.00 1.23 -0.00 0.00 0.00 178.44 180.06 1xr5 h GLY 346 N 0.69 0.00 1.85 0.83 0.00 -1.17 -3.12 103.07 102.15 1xr5 h GLY 346 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1xr5 h GLY 346 CO -0.10 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.61 1xr5 n LYS 347 N -2.85 0.05 -0.61 4.80 4.81 -0.15 -1.57 118.16 122.64 1xr5 n LYS 347 Ca 0.03 0.30 0.09 0.00 -0.87 0.00 0.00 58.31 57.86 1xr5 n LYS 347 Cb 0.42 -1.50 0.34 0.00 0.02 0.00 0.00 35.03 34.31 1xr5 n LYS 347 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1xr5 n ASN 348 N -1.42 4.70 -0.50 3.14 6.94 -1.18 -3.63 115.26 123.31 1xr5 n ASN 348 Ca 0.03 -2.56 0.04 0.00 -0.02 0.00 0.00 54.58 52.08 1xr5 n ASN 348 Cb 0.09 -0.57 0.11 0.00 -2.36 0.00 0.00 39.78 37.06 1xr5 n ASN 348 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1xr5 n TYR 349 N 0.82 0.33 -0.50 -2.53 4.01 -0.61 -4.99 117.16 113.70 1xr5 n TYR 349 Ca 0.25 -0.45 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1xr5 n TYR 349 Cb 0.91 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.91 1xr5 n TYR 349 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xr5 n GLY 350 N 0.33 0.75 3.89 2.72 0.00 -1.24 -4.61 105.19 107.04 1xr5 n GLY 350 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1xr5 n GLY 350 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xr5 s LEU 351 N 0.00 4.33 -0.75 0.99 1.43 -1.15 -4.87 118.68 118.67 1xr5 s LEU 351 Ca 0.00 0.56 0.03 0.00 -1.03 0.00 0.00 54.13 53.69 1xr5 s LEU 351 Cb 0.00 -2.97 0.20 0.00 0.03 0.00 0.00 46.19 43.46 1xr5 s LEU 351 CO 0.00 0.16 0.65 0.41 0.23 0.00 0.00 176.35 177.80 1xr5 n THR 352 N 0.63 2.23 -3.00 5.49 -1.04 -1.26 -3.84 114.28 113.49 1xr5 n THR 352 Ca -0.07 -5.04 -0.34 0.00 -2.04 0.00 0.00 64.05 56.57 1xr5 n THR 352 Cb 0.52 -2.21 -0.06 0.00 -1.82 0.00 0.00 70.33 66.76 1xr5 n THR 352 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1xr5 s ILE 353 N -1.71 4.52 0.17 12.58 -1.16 -1.26 -2.04 121.20 132.31 1xr5 s ILE 353 Ca 0.29 1.26 -0.13 0.00 -0.51 0.00 0.00 60.65 61.56 1xr5 s ILE 353 Cb -0.01 -3.69 0.01 0.00 0.61 0.00 0.00 42.46 39.38 1xr5 s ILE 353 CO -0.12 -0.12 0.40 0.28 -2.81 0.00 0.00 174.94 172.57 1xr5 s THR 354 N -1.92 0.05 0.68 4.00 -1.32 0.20 -4.88 115.64 112.44 1xr5 s THR 354 Ca 0.54 -1.06 -0.16 0.00 -1.21 0.00 0.00 61.69 59.81 1xr5 s THR 354 Cb -0.12 -1.67 0.01 0.00 -1.51 0.00 0.00 72.50 69.22 1xr5 s THR 354 CO 0.17 -0.23 1.19 -2.16 -2.21 0.00 0.00 174.62 171.38 1xr5 s PRO 355 N -3.91 2.47 1.10 7.08 0.04 -1.26 -0.95 135.00 139.58 1xr5 s PRO 355 Ca 0.12 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.73 1xr5 s PRO 355 Cb 0.01 -1.88 0.24 0.00 0.04 0.00 0.00 34.50 32.92 1xr5 s PRO 355 CO -0.02 -1.56 1.06 -1.25 0.04 0.00 0.00 177.00 175.27 1xr5 s PRO 356 N -3.81 -0.42 0.45 0.56 0.04 -1.26 -4.21 135.00 126.35 1xr5 s PRO 356 Ca 0.74 0.51 -0.25 0.00 0.04 0.00 0.00 61.00 62.03 1xr5 s PRO 356 Cb -0.28 -1.64 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 1xr5 s PRO 356 CO 0.41 -3.30 1.44 -0.25 0.04 0.00 0.00 177.00 175.35 1xr5 n ASP 357 N -4.57 3.39 -3.32 6.66 9.92 -1.26 -2.80 116.55 124.56 1xr5 n ASP 357 Ca 0.05 1.13 -0.16 0.00 -0.53 0.00 0.00 54.79 55.28 1xr5 n ASP 357 Cb 0.57 -1.61 0.09 0.00 -0.64 0.00 0.00 41.12 39.52 1xr5 n ASP 357 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1xr5 n LYS 358 N -0.16 -6.11 -3.69 -1.24 4.76 -1.26 -4.56 118.16 105.90 1xr5 n LYS 358 Ca 0.05 0.82 -0.13 0.00 -2.87 0.00 0.00 58.31 56.17 1xr5 n LYS 358 Cb 0.41 -5.73 -0.13 0.00 -1.84 0.00 0.00 35.03 27.74 1xr5 n LYS 358 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1xr5 s SER 359 N -4.25 0.10 -0.01 4.39 0.01 -1.12 -5.01 113.70 107.80 1xr5 s SER 359 Ca 0.03 0.53 -0.21 0.00 1.31 0.00 0.00 55.95 57.62 1xr5 s SER 359 Cb -0.00 0.52 -0.12 0.00 0.21 0.00 0.00 66.02 66.63 1xr5 s SER 359 CO 0.70 -0.20 0.86 -0.08 0.41 0.00 0.00 173.24 174.92 1xr5 h GLU 360 N 7.78 -0.69 -3.69 12.44 4.81 -1.96 -3.45 114.58 129.81 1xr5 h GLU 360 Ca -0.27 0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 58.84 1xr5 h GLU 360 Cb 1.13 0.16 -0.22 0.00 0.63 0.00 0.00 28.75 30.45 1xr5 h GLU 360 CO 0.25 -0.45 -0.59 0.95 -0.73 0.00 0.00 179.01 178.44 1xr5 s THR 361 N -3.95 0.08 -0.90 0.32 -4.23 -1.26 -4.95 115.64 100.75 1xr5 s THR 361 Ca -0.11 -0.65 -0.28 0.00 -1.18 0.00 0.00 61.69 59.47 1xr5 s THR 361 Cb 0.01 -0.31 -0.20 0.00 1.34 0.00 0.00 72.50 73.34 1xr5 s THR 361 CO 0.33 -0.36 2.59 0.49 -0.54 0.00 0.00 174.62 177.13 1xr5 n PHE 362 N 1.79 0.69 -3.82 3.99 3.01 -1.26 -4.93 117.46 116.94 1xr5 n PHE 362 Ca -0.21 0.28 -0.25 0.00 1.01 0.00 0.00 57.45 58.28 1xr5 n PHE 362 Cb 0.56 -2.26 -0.01 0.00 -0.01 0.00 0.00 39.48 37.76 1xr5 n PHE 362 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1xr5 s THR 363 N 8.96 1.78 0.25 4.37 2.01 -1.26 -4.91 115.64 126.84 1xr5 s THR 363 Ca 1.27 -1.46 -0.31 0.00 0.31 0.00 0.00 61.69 61.51 1xr5 s THR 363 Cb -0.98 -2.23 -0.13 0.00 0.01 0.00 0.00 72.50 69.17 1xr5 s THR 363 CO 0.44 0.00 1.49 1.17 -0.69 0.00 0.00 174.62 177.04 1xr5 n LYS 364 N -1.76 2.30 -2.99 4.92 0.00 -1.26 -4.95 118.16 114.42 1xr5 n LYS 364 Ca -0.00 0.82 -0.38 0.00 0.00 0.00 0.00 58.31 58.75 1xr5 n LYS 364 Cb 0.64 -2.53 -0.06 0.00 0.00 0.00 0.00 35.03 33.08 1xr5 n LYS 364 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1xr5 s MET 365 N -0.32 4.47 0.02 1.64 -1.94 -1.25 -5.05 119.30 116.86 1xr5 s MET 365 Ca 0.67 1.09 -0.05 0.00 -1.71 0.00 0.00 55.69 55.69 1xr5 s MET 365 Cb -0.59 -3.07 -0.01 0.00 2.01 0.00 0.00 34.83 33.17 1xr5 s MET 365 CO 0.48 0.47 0.08 -0.08 -0.01 0.00 0.00 175.02 175.96 1xr5 s THR 366 N -1.34 0.11 0.55 2.05 -1.32 -1.26 -4.62 115.64 109.82 1xr5 s THR 366 Ca 0.40 -0.92 0.36 0.00 -1.21 0.00 0.00 61.69 60.32 1xr5 s THR 366 Cb -0.20 -0.59 0.38 0.00 -1.51 0.00 0.00 72.50 70.58 1xr5 s THR 366 CO 0.24 -0.51 2.25 -0.50 -2.21 0.00 0.00 174.62 173.90 1xr5 h TRP 367 N 4.11 0.00 -0.45 9.09 4.06 -1.95 0.30 115.95 131.10 1xr5 h TRP 367 Ca -0.32 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.49 1xr5 h TRP 367 Cb 1.19 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.34 1xr5 h TRP 367 CO 0.59 0.02 -0.26 1.49 -3.56 0.00 0.00 178.44 176.72 1xr5 h GLU 368 N 0.00 0.97 0.10 0.49 4.81 -1.96 -3.35 114.58 115.63 1xr5 h GLU 368 Ca -0.00 -0.44 -0.33 0.00 -0.13 0.00 0.00 59.36 58.45 1xr5 h GLU 368 Cb 0.10 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1xr5 h GLU 368 CO 0.00 1.11 -1.81 -0.91 -0.73 0.00 0.00 179.01 176.67 1xr5 h ASN 369 N 0.81 0.32 -2.04 1.04 -0.26 -1.52 -3.45 115.58 110.48 1xr5 h ASN 369 Ca 0.09 -0.63 -0.61 0.00 -0.56 0.00 0.00 56.30 54.59 1xr5 h ASN 369 Cb 0.85 -0.11 0.16 0.00 -1.06 0.00 0.00 38.32 38.17 1xr5 h ASN 369 CO 0.07 1.56 -0.85 -0.11 -1.06 0.00 0.00 177.43 177.04 1xr5 n LEU 370 N -3.38 -2.19 -4.06 1.61 7.94 -0.05 -4.98 117.00 111.89 1xr5 n LEU 370 Ca -0.24 0.77 -0.17 0.00 -1.11 0.00 0.00 56.01 55.26 1xr5 n LEU 370 Cb 1.05 -0.95 -0.13 0.00 0.53 0.00 0.00 43.42 43.92 1xr5 n LEU 370 CO 0.46 -4.02 -0.43 -0.89 -1.11 0.00 0.00 177.39 171.40 1xr5 s THR 371 N -1.74 0.76 -0.11 1.96 2.01 -1.26 -4.22 115.64 113.04 1xr5 s THR 371 Ca 0.60 -0.74 -0.07 0.00 0.31 0.00 0.00 61.69 61.80 1xr5 s THR 371 Cb -0.57 -0.70 0.04 0.00 0.01 0.00 0.00 72.50 71.28 1xr5 s THR 371 CO 0.62 -0.02 0.26 0.12 -0.69 0.00 0.00 174.62 174.91 1xr5 s PHE 372 N -0.69 -0.34 -1.66 4.92 5.36 -0.47 -4.76 117.98 120.34 1xr5 s PHE 372 Ca -0.01 0.79 -0.17 0.00 -0.96 0.00 0.00 56.93 56.59 1xr5 s PHE 372 Cb -0.06 0.08 0.14 0.00 -0.34 0.00 0.00 43.02 42.84 1xr5 s PHE 372 CO 0.00 -0.21 0.86 1.28 -1.46 0.00 0.00 175.22 175.69 1xr5 n LEU 373 N 3.81 -1.97 0.00 6.12 4.77 -1.26 -1.30 117.00 127.17 1xr5 n LEU 373 Ca -0.21 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 54.83 1xr5 n LEU 373 Cb 0.55 -2.23 0.00 0.00 -2.33 0.00 0.00 43.42 39.41 1xr5 n LEU 373 CO 0.15 0.35 0.00 1.17 -1.33 0.00 0.00 177.39 177.73 1xr5 n LYS 374 N -4.48 -0.46 -4.93 3.23 4.81 -1.26 -4.98 118.16 110.09 1xr5 n LYS 374 Ca 0.07 0.11 -0.30 0.00 -0.87 0.00 0.00 58.31 57.32 1xr5 n LYS 374 Cb 0.50 -3.46 -0.15 0.00 0.02 0.00 0.00 35.03 31.94 1xr5 n LYS 374 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1xr5 s ARG 375 N -0.48 1.84 0.83 1.64 0.52 -0.42 -4.38 118.95 118.49 1xr5 s ARG 375 Ca 0.00 -1.09 -0.12 0.00 -0.52 0.00 0.00 55.73 53.99 1xr5 s ARG 375 Cb 0.00 -1.99 0.10 0.00 0.52 0.00 0.00 34.95 33.57 1xr5 s ARG 375 CO 0.00 0.52 1.20 0.71 0.02 0.00 0.00 175.30 177.74 1xr5 s TYR 376 N -0.80 2.78 -0.26 -0.53 1.51 -0.52 -1.37 117.35 118.16 1xr5 s TYR 376 Ca 0.12 0.70 0.01 0.00 -1.01 0.00 0.00 57.07 56.89 1xr5 s TYR 376 Cb -0.10 -3.57 0.04 0.00 -0.11 0.00 0.00 41.96 38.23 1xr5 s TYR 376 CO 0.02 -1.90 -0.08 -0.06 -1.11 0.00 0.00 175.55 172.41 1xr5 s PHE 377 N -3.61 3.16 -0.26 2.71 0.40 -1.26 -2.33 117.98 116.80 1xr5 s PHE 377 Ca 0.63 -1.96 0.01 0.00 -0.60 0.00 0.00 56.93 55.01 1xr5 s PHE 377 Cb -0.10 -2.00 0.07 0.00 0.51 0.00 0.00 43.02 41.50 1xr5 s PHE 377 CO 0.50 -0.82 -0.01 0.21 0.70 0.00 0.00 175.22 175.80 1xr5 s LYS 378 N 1.21 1.36 0.39 0.44 2.20 -0.97 -4.66 119.74 119.72 1xr5 s LYS 378 Ca -0.04 -1.07 -0.26 0.00 -0.36 0.00 0.00 55.97 54.24 1xr5 s LYS 378 Cb -0.18 -2.53 -0.09 0.00 -1.51 0.00 0.00 37.83 33.52 1xr5 s LYS 378 CO -0.05 -0.71 1.21 -1.25 -0.36 0.00 0.00 175.35 174.19 1xr5 s PRO 379 N 1.41 4.10 0.67 4.03 0.04 -1.26 -1.08 135.00 142.91 1xr5 s PRO 379 Ca -0.01 1.95 -0.17 0.00 0.04 0.00 0.00 61.00 62.81 1xr5 s PRO 379 Cb -0.18 -2.77 0.01 0.00 0.04 0.00 0.00 34.50 31.60 1xr5 s PRO 379 CO -0.10 -0.31 1.22 0.34 0.04 0.00 0.00 177.00 178.19 1xr5 s ASP 380 N -0.96 4.59 -0.08 6.66 2.15 -0.20 -4.87 116.67 123.96 1xr5 s ASP 380 Ca 0.55 2.40 -0.23 0.00 0.43 0.00 0.00 52.55 55.71 1xr5 s ASP 380 Cb -0.33 -2.60 -0.19 0.00 -0.30 0.00 0.00 42.92 39.50 1xr5 s ASP 380 CO 0.42 -2.00 0.86 1.56 -0.17 0.00 0.00 175.17 175.85 1xr5 h GLN 381 N 0.21 -0.08 0.28 4.34 1.08 -1.93 -3.11 115.11 115.89 1xr5 h GLN 381 Ca -0.49 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 56.70 1xr5 h GLN 381 Cb 1.30 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 1xr5 h GLN 381 CO 0.52 0.51 -0.14 0.37 -0.95 0.00 0.00 178.83 179.14 1xr5 h GLN 382 N -0.83 -0.37 -3.46 1.46 4.15 -1.99 -3.38 115.11 110.69 1xr5 h GLN 382 Ca -0.01 0.02 -0.68 0.00 0.77 0.00 0.00 58.65 58.76 1xr5 h GLN 382 Cb 0.63 0.08 -0.37 0.00 0.21 0.00 0.00 27.48 28.03 1xr5 h GLN 382 CO 0.01 -0.03 -0.41 -0.06 -1.93 0.00 0.00 178.83 176.41 1xr5 s PHE 383 N -4.48 3.40 -1.24 3.99 0.40 -1.26 -4.97 117.98 113.82 1xr5 s PHE 383 Ca -0.14 -2.90 0.02 0.00 -0.60 0.00 0.00 56.93 53.31 1xr5 s PHE 383 Cb 0.02 -3.08 0.08 0.00 0.51 0.00 0.00 43.02 40.55 1xr5 s PHE 383 CO 0.53 -0.79 0.94 -0.35 0.70 0.00 0.00 175.22 176.26 1xr5 n PRO 384 N 3.17 0.01 0.11 0.24 -0.04 -1.18 -2.22 135.00 135.11 1xr5 n PRO 384 Ca 0.09 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 64.03 1xr5 n PRO 384 Cb 0.36 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.39 1xr5 n PRO 384 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1xr5 h PHE 385 N 0.00 0.00 -3.26 0.54 0.04 -1.94 -3.39 116.94 108.93 1xr5 h PHE 385 Ca 0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 1xr5 h PHE 385 Cb 0.02 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.12 1xr5 h PHE 385 CO 0.00 0.00 -0.03 -0.51 -0.60 0.00 0.00 178.31 177.17 1xr5 s LEU 386 N -5.25 4.49 -0.11 1.54 1.43 -0.94 -4.87 118.68 114.97 1xr5 s LEU 386 Ca 0.02 1.23 0.03 0.00 -1.03 0.00 0.00 54.13 54.38 1xr5 s LEU 386 Cb 0.10 -2.91 0.01 0.00 0.03 0.00 0.00 46.19 43.41 1xr5 s LEU 386 CO 0.76 0.21 -0.21 -0.69 0.23 0.00 0.00 176.35 176.65 1xr5 s VAL 387 N -0.78 1.89 0.06 -1.59 1.01 -1.26 -1.03 120.40 118.70 1xr5 s VAL 387 Ca 0.30 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 1xr5 s VAL 387 Cb -0.19 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 1xr5 s VAL 387 CO 0.18 0.52 0.84 -1.00 0.00 0.00 0.00 175.10 175.64 1xr5 s HIS 388 N 0.60 3.75 -0.38 5.22 3.76 -0.24 -4.00 115.29 124.00 1xr5 s HIS 388 Ca -0.13 1.58 -0.28 0.00 -0.15 0.00 0.00 55.06 56.08 1xr5 s HIS 388 Cb -0.17 -2.91 0.02 0.00 1.11 0.00 0.00 32.58 30.63 1xr5 s HIS 388 CO 0.04 0.23 1.07 -2.14 -0.85 0.00 0.00 174.74 173.08 1xr5 s PRO 389 N 0.07 3.92 -0.70 8.40 0.02 -1.26 -2.28 135.00 143.16 1xr5 s PRO 389 Ca 0.42 0.82 -0.09 0.00 0.02 0.00 0.00 61.00 62.17 1xr5 s PRO 389 Cb -0.21 -3.80 0.18 0.00 0.02 0.00 0.00 34.50 30.69 1xr5 s PRO 389 CO 0.25 -1.06 0.59 0.08 -0.33 0.00 0.00 177.00 176.53 1xr5 s VAL 390 N 3.87 4.68 0.04 3.83 1.01 -0.98 -4.78 120.40 128.07 1xr5 s VAL 390 Ca 0.45 -2.59 -0.30 0.00 0.00 0.00 0.00 61.98 59.53 1xr5 s VAL 390 Cb -0.11 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 1xr5 s VAL 390 CO 0.21 -0.94 1.70 -0.32 0.00 0.00 0.00 175.10 175.75 1xr5 s MET 391 N 0.21 4.18 0.64 2.72 0.00 -1.26 -1.43 119.30 124.35 1xr5 s MET 391 Ca 0.16 2.35 -0.18 0.00 0.00 0.00 0.00 55.69 58.02 1xr5 s MET 391 Cb -0.16 -3.74 -0.03 0.00 0.00 0.00 0.00 34.83 30.89 1xr5 s MET 391 CO -0.06 -0.79 1.04 -2.30 0.00 0.00 0.00 175.02 172.92 1xr5 n PRO 392 N 6.14 0.87 0.25 4.11 -0.02 -1.26 -4.86 135.00 140.24 1xr5 n PRO 392 Ca 0.17 0.35 0.14 0.00 -2.02 0.00 0.00 63.50 62.14 1xr5 n PRO 392 Cb 0.41 -2.27 0.53 0.00 -0.02 0.00 0.00 33.50 32.15 1xr5 n PRO 392 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1xr5 h MET 393 N 0.35 0.00 -0.10 -0.52 4.05 -1.96 -2.77 114.93 113.97 1xr5 h MET 393 Ca -0.49 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.92 1xr5 h MET 393 Cb 1.36 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.15 1xr5 h MET 393 CO 0.51 0.07 0.03 0.87 0.23 0.00 0.00 176.91 178.61 1xr5 h LYS 394 N 0.00 0.15 -0.75 0.39 1.57 -1.97 -0.25 116.57 115.72 1xr5 h LYS 394 Ca -0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1xr5 h LYS 394 Cb 0.67 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 1xr5 h LYS 394 CO 0.01 0.31 0.45 -0.44 -0.57 0.00 0.00 179.45 179.21 1xr5 h ASP 395 N -0.04 0.89 -0.11 0.86 5.19 -1.86 0.13 116.42 121.48 1xr5 h ASP 395 Ca 0.03 -0.05 -0.18 0.00 -0.62 0.00 0.00 57.03 56.21 1xr5 h ASP 395 Cb 0.22 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1xr5 h ASP 395 CO -0.00 0.68 -0.61 0.40 -3.12 0.00 0.00 179.24 176.59 1xr5 h ILE 396 N 1.02 1.30 -0.64 0.35 2.04 -1.39 -2.37 117.51 117.83 1xr5 h ILE 396 Ca 0.27 -1.83 -0.06 0.00 1.00 0.00 0.00 64.86 64.24 1xr5 h ILE 396 Cb -0.05 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1xr5 h ILE 396 CO -0.05 0.58 0.16 0.45 0.00 0.00 0.00 178.15 179.29 1xr5 h HIS 397 N 0.53 1.06 0.00 1.37 3.86 -0.54 -2.37 115.15 119.07 1xr5 h HIS 397 Ca -0.00 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 59.04 1xr5 h HIS 397 Cb 1.19 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 29.36 1xr5 h HIS 397 CO 0.06 0.88 -0.22 1.49 0.86 0.00 0.00 177.93 181.01 1xr5 h GLU 398 N 0.94 0.00 0.08 2.45 4.57 -0.61 -2.85 114.58 119.16 1xr5 h GLU 398 Ca 0.20 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.10 1xr5 h GLU 398 Cb 0.35 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 1xr5 h GLU 398 CO 0.00 0.22 -1.42 1.03 -1.18 0.00 0.00 179.01 177.66 1xr5 h SER 399 N 0.00 0.27 1.44 1.04 0.87 -1.26 -3.36 113.55 112.54 1xr5 h SER 399 Ca -0.00 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 1xr5 h SER 399 Cb 0.69 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 1xr5 h SER 399 CO 0.03 1.29 0.00 -0.29 -0.53 0.00 0.00 176.83 177.33 1xr5 h ILE 400 N 0.05 0.00 -0.00 2.23 2.10 -1.18 -3.22 117.51 117.48 1xr5 h ILE 400 Ca -0.19 -0.67 0.00 0.00 1.08 0.00 0.00 64.86 65.08 1xr5 h ILE 400 Cb 1.96 1.64 0.00 0.00 -1.09 0.00 0.00 36.82 39.34 1xr5 h ILE 400 CO 0.15 0.00 -0.01 0.54 -1.08 0.00 0.00 178.15 177.75 1xr5 n ARG 401 N -2.90 0.89 -4.30 2.19 1.74 -1.19 -4.52 116.66 108.57 1xr5 n ARG 401 Ca 0.03 -0.06 -0.16 0.00 -0.77 0.00 0.00 57.85 56.89 1xr5 n ARG 401 Cb 0.40 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.24 1xr5 n ARG 401 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1xr5 s TRP 402 N -2.15 1.45 -0.26 -1.55 0.52 -1.22 -1.65 118.94 114.08 1xr5 s TRP 402 Ca 0.42 -0.99 -0.26 0.00 0.02 0.00 0.00 56.10 55.30 1xr5 s TRP 402 Cb 0.21 -0.84 0.09 0.00 -1.15 0.00 0.00 33.47 31.79 1xr5 s TRP 402 CO 0.39 -0.13 0.83 -0.08 0.02 0.00 0.00 176.95 177.98 1xr5 s THR 403 N -3.54 0.00 -0.10 2.01 -1.32 -0.27 -4.56 115.64 107.86 1xr5 s THR 403 Ca 0.28 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.74 1xr5 s THR 403 Cb 0.06 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.04 1xr5 s THR 403 CO 0.08 0.00 -0.04 0.11 -2.21 0.00 0.00 174.62 172.56 1xr5 h LYS 404 N 4.53 0.00 -4.12 7.08 1.57 -1.85 -1.79 116.57 121.99 1xr5 h LYS 404 Ca -0.28 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.92 1xr5 h LYS 404 Cb 1.16 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 33.09 1xr5 h LYS 404 CO 0.10 0.00 -0.78 0.16 -0.57 0.00 0.00 179.45 178.36 1xr5 s ASP 405 N -5.26 3.36 0.00 0.86 1.47 -1.26 -4.77 116.67 111.07 1xr5 s ASP 405 Ca -0.03 -0.95 0.00 0.00 1.18 0.00 0.00 52.55 52.74 1xr5 s ASP 405 Cb 0.00 -0.98 0.00 0.00 -0.34 0.00 0.00 42.92 41.61 1xr5 s ASP 405 CO 0.05 -0.24 0.33 -0.81 0.68 0.00 0.00 175.17 175.18 1xr5 n PRO 406 N 4.81 0.43 -0.07 2.11 -0.04 -1.26 -2.67 135.00 138.31 1xr5 n PRO 406 Ca -0.11 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.22 1xr5 n PRO 406 Cb 0.46 -1.25 -0.11 0.00 -0.04 0.00 0.00 33.50 32.56 1xr5 n PRO 406 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1xr5 h LYS 407 N 0.88 0.00 -0.98 0.54 3.64 -2.02 -3.35 116.57 115.27 1xr5 h LYS 407 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1xr5 h LYS 407 Cb 0.33 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1xr5 h LYS 407 CO 0.00 0.84 0.03 0.27 -2.27 0.00 0.00 179.45 178.32 1xr5 n ASN 408 N -4.61 2.36 0.18 4.20 6.94 -1.09 -3.86 115.26 119.38 1xr5 n ASN 408 Ca -0.11 -2.11 0.13 0.00 -0.02 0.00 0.00 54.58 52.46 1xr5 n ASN 408 Cb 0.44 -0.52 0.64 0.00 -2.36 0.00 0.00 39.78 37.97 1xr5 n ASN 408 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xr5 h THR 409 N 0.19 0.00 0.00 5.53 1.03 -1.71 -1.78 112.91 116.18 1xr5 h THR 409 Ca 0.03 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 66.37 1xr5 h THR 409 Cb 0.93 0.67 0.00 0.00 -1.07 0.00 0.00 68.15 68.68 1xr5 h THR 409 CO 0.07 0.00 -0.00 -0.61 -0.01 0.00 0.00 175.52 174.97 1xr5 h GLN 410 N 0.00 0.00 -1.08 0.00 4.15 -1.90 -3.16 115.11 113.12 1xr5 h GLN 410 Ca 0.00 0.00 0.36 0.00 0.77 0.00 0.00 58.65 59.78 1xr5 h GLN 410 Cb 0.09 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 27.64 1xr5 h GLN 410 CO 0.00 0.00 0.64 -0.44 -1.93 0.00 0.00 178.83 177.10 1xr5 h ASP 411 N -0.65 0.42 -0.06 -0.69 3.32 -1.83 0.21 116.42 117.14 1xr5 h ASP 411 Ca 0.00 0.18 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 1xr5 h ASP 411 Cb 0.00 0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1xr5 h ASP 411 CO 0.00 -0.17 -0.18 -0.74 -1.72 0.00 0.00 179.24 176.43 1xr5 h HIS 412 N 0.23 0.31 -0.63 4.55 2.76 -1.50 -2.43 115.15 118.44 1xr5 h HIS 412 Ca 0.76 -0.12 -0.07 0.00 -2.20 0.00 0.00 60.37 58.74 1xr5 h HIS 412 Cb 1.96 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 30.84 1xr5 h HIS 412 CO -0.01 0.80 0.12 0.28 -1.30 0.00 0.00 177.93 177.82 1xr5 h VAL 413 N -0.27 1.25 -0.31 5.26 2.07 -0.86 -2.22 116.25 121.18 1xr5 h VAL 413 Ca -0.00 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1xr5 h VAL 413 Cb 0.80 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1xr5 h VAL 413 CO 0.04 0.36 0.16 -0.09 0.02 0.00 0.00 177.57 178.06 1xr5 h ARG 414 N 0.95 0.44 -0.52 1.57 2.43 -0.76 -2.28 114.38 116.20 1xr5 h ARG 414 Ca 0.19 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.37 1xr5 h ARG 414 Cb 0.39 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1xr5 h ARG 414 CO 0.01 0.39 0.35 1.03 -1.51 0.00 0.00 179.97 180.23 1xr5 h SER 415 N 0.37 0.40 1.02 -3.80 0.87 -1.20 -0.61 113.55 110.61 1xr5 h SER 415 Ca 0.11 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 1xr5 h SER 415 Cb 0.08 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1xr5 h SER 415 CO -0.02 0.27 -0.42 -0.07 -0.53 0.00 0.00 176.83 176.06 1xr5 h LEU 416 N 0.46 0.00 -0.76 2.23 3.38 -1.01 -3.10 115.31 116.51 1xr5 h LEU 416 Ca 0.22 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 1xr5 h LEU 416 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1xr5 h LEU 416 CO -0.06 0.42 -0.07 0.00 0.09 0.00 0.00 178.44 178.82 1xr5 h MET 418 N 0.79 0.00 0.01 0.00 2.86 -1.43 -2.04 114.93 115.13 1xr5 h MET 418 Ca 0.14 0.00 -0.39 0.00 -2.06 0.00 0.00 59.70 57.39 1xr5 h MET 418 Cb 0.57 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.17 1xr5 h MET 418 CO 0.03 0.00 -2.42 1.28 1.06 0.00 0.00 176.91 176.87 1xr5 n LEU 419 N -2.94 2.70 -0.12 1.22 4.32 -1.13 -4.63 117.00 116.43 1xr5 n LEU 419 Ca -0.01 -0.09 -0.10 0.00 -0.02 0.00 0.00 56.01 55.79 1xr5 n LEU 419 Cb 0.19 -0.82 -0.02 0.00 -1.62 0.00 0.00 43.42 41.14 1xr5 n LEU 419 CO 0.22 0.89 0.80 0.00 -1.22 0.00 0.00 177.39 178.09 1xr5 h ALA 420 N 0.09 0.47 0.00 -1.18 0.00 -0.39 -3.18 119.26 115.07 1xr5 h ALA 420 Ca -0.56 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.13 1xr5 h ALA 420 Cb 1.94 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 1xr5 h ALA 420 CO -0.06 0.20 -0.00 0.11 0.00 0.00 0.00 179.25 179.49 1xr5 h TRP 421 N 0.42 0.00 0.00 0.00 5.08 -1.65 0.12 115.95 119.92 1xr5 h TRP 421 Ca 0.10 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.07 1xr5 h TRP 421 Cb 0.41 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.57 1xr5 h TRP 421 CO 0.03 0.00 0.00 0.45 -1.28 0.00 0.00 178.44 177.64 1xr5 h HIS 422 N 0.00 0.00 0.00 0.12 3.86 -1.83 -1.04 115.15 116.27 1xr5 h HIS 422 Ca -0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1xr5 h HIS 422 Cb 0.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 1xr5 h HIS 422 CO 0.00 0.00 -0.18 0.77 0.86 0.00 0.00 177.93 179.38 1xr5 h SER 423 N 0.00 0.00 -4.78 2.45 0.02 -1.17 -3.46 113.55 106.62 1xr5 h SER 423 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xr5 h SER 423 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1xr5 h SER 423 CO 0.00 0.18 0.00 0.61 -1.14 0.00 0.00 176.83 176.48 1xr5 n GLY 424 N 0.27 3.55 0.34 -3.77 0.00 -0.39 -4.78 105.19 100.41 1xr5 n GLY 424 Ca 0.01 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.14 1xr5 n GLY 424 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xr5 h GLU 425 N 0.00 -0.24 -0.45 1.61 4.81 -1.95 -1.44 114.58 116.92 1xr5 h GLU 425 Ca 0.00 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.34 1xr5 h GLU 425 Cb 0.00 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.34 1xr5 h GLU 425 CO 0.00 -0.16 -0.26 -0.22 -0.73 0.00 0.00 179.01 177.64 1xr5 h LYS 426 N -0.25 -0.16 -0.33 1.92 3.64 -1.97 -1.87 116.57 117.55 1xr5 h LYS 426 Ca 0.18 0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.39 1xr5 h LYS 426 Cb 0.54 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1xr5 h LYS 426 CO -0.56 -0.10 -0.48 0.93 -2.27 0.00 0.00 179.45 176.97 1xr5 h GLU 427 N -0.16 0.91 -0.57 1.90 4.39 -1.79 -2.90 114.58 116.37 1xr5 h GLU 427 Ca 0.21 -0.54 -0.04 0.00 0.34 0.00 0.00 59.36 59.34 1xr5 h GLU 427 Cb 0.49 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 1xr5 h GLU 427 CO -0.55 1.18 0.20 -0.92 -1.16 0.00 0.00 179.01 177.77 1xr5 h TYR 428 N 0.72 0.84 -0.14 4.33 3.20 -0.80 -0.63 116.97 124.48 1xr5 h TYR 428 Ca 0.03 -0.05 -0.20 0.00 3.14 0.00 0.00 58.73 61.65 1xr5 h TYR 428 Cb 1.09 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.10 1xr5 h TYR 428 CO 0.07 0.67 -0.71 -0.91 -1.64 0.00 0.00 178.16 175.63 1xr5 h ASN 429 N 0.82 0.73 -0.56 -2.11 2.35 -1.38 -1.73 115.58 113.70 1xr5 h ASN 429 Ca 0.19 -0.46 -0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1xr5 h ASN 429 Cb 0.20 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 1xr5 h ASN 429 CO -0.01 1.22 0.34 -0.33 -1.65 0.00 0.00 177.43 177.00 1xr5 h GLU 430 N 0.43 0.78 0.56 0.81 5.08 -1.26 -0.83 114.58 120.15 1xr5 h GLU 430 Ca -0.03 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1xr5 h GLU 430 Cb 1.31 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 30.40 1xr5 h GLU 430 CO 0.14 0.55 -0.27 0.35 -1.00 0.00 0.00 179.01 178.78 1xr5 h PHE 431 N 0.79 -0.69 0.00 4.33 3.57 -0.86 -1.66 116.94 122.42 1xr5 h PHE 431 Ca 0.21 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 1xr5 h PHE 431 Cb -0.02 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1xr5 h PHE 431 CO 0.00 -0.43 -0.25 -0.84 -2.23 0.00 0.00 178.31 174.57 1xr5 h ILE 432 N -1.20 1.02 -0.59 1.41 3.07 -1.37 -0.56 117.51 119.30 1xr5 h ILE 432 Ca -0.08 -0.90 -0.04 0.00 1.55 0.00 0.00 64.86 65.40 1xr5 h ILE 432 Cb 0.58 1.50 -0.03 0.00 -0.27 0.00 0.00 36.82 38.61 1xr5 h ILE 432 CO 0.13 0.24 0.23 -0.61 -1.05 0.00 0.00 178.15 177.08 1xr5 h GLN 433 N 0.00 0.88 -0.20 0.16 4.15 -1.16 -0.98 115.11 117.96 1xr5 h GLN 433 Ca -0.00 -0.16 -0.18 0.00 0.77 0.00 0.00 58.65 59.08 1xr5 h GLN 433 Cb 0.49 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 1xr5 h GLN 433 CO 0.03 0.76 -0.60 0.87 -1.93 0.00 0.00 178.83 177.97 1xr5 h LYS 434 N 0.81 0.65 -0.91 1.69 1.57 -0.77 -2.53 116.57 117.08 1xr5 h LYS 434 Ca 0.19 -0.44 0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1xr5 h LYS 434 Cb 0.21 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 1xr5 h LYS 434 CO -0.01 1.06 0.57 0.82 -0.57 0.00 0.00 179.45 181.32 1xr5 h ILE 435 N 0.49 1.03 -0.04 1.86 2.04 -0.99 -2.60 117.51 119.30 1xr5 h ILE 435 Ca -0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1xr5 h ILE 435 Cb 1.17 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1xr5 h ILE 435 CO 0.12 0.19 0.00 0.54 0.00 0.00 0.00 178.15 178.99 1xr5 n ARG 436 N -4.60 1.24 -0.13 2.37 1.74 -0.38 -2.74 116.66 114.16 1xr5 n ARG 436 Ca 0.14 -0.35 -0.09 0.00 -0.77 0.00 0.00 57.85 56.77 1xr5 n ARG 436 Cb 0.21 -1.37 -0.01 0.00 -1.02 0.00 0.00 32.46 30.26 1xr5 n ARG 436 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1xr5 h THR 437 N 0.75 1.20 -4.29 0.55 2.02 -1.18 -3.39 112.91 108.58 1xr5 h THR 437 Ca 0.00 -0.65 -0.51 0.00 0.77 0.00 0.00 66.41 66.02 1xr5 h THR 437 Cb 0.16 0.92 0.12 0.00 -1.74 0.00 0.00 68.15 67.62 1xr5 h THR 437 CO 0.00 0.23 0.34 0.42 0.37 0.00 0.00 175.52 176.87 1xr5 s THR 438 N -5.47 3.40 0.05 3.16 -4.23 -1.11 -4.95 115.64 106.49 1xr5 s THR 438 Ca -0.13 0.50 -0.17 0.00 -1.18 0.00 0.00 61.69 60.71 1xr5 s THR 438 Cb 0.10 -3.02 -0.19 0.00 1.34 0.00 0.00 72.50 70.73 1xr5 s THR 438 CO 0.75 -0.55 1.22 0.44 -0.54 0.00 0.00 174.62 175.94 1xr5 h ASP 439 N -0.80 0.70 1.47 3.99 3.45 -1.88 -2.81 116.42 120.54 1xr5 h ASP 439 Ca -0.44 -0.67 -0.01 0.00 0.43 0.00 0.00 57.03 56.34 1xr5 h ASP 439 Cb 1.23 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 39.79 1xr5 h ASP 439 CO 0.53 1.26 -0.05 -0.29 -1.57 0.00 0.00 179.24 179.12 1xr5 h ILE 440 N 0.19 0.09 -0.62 0.35 6.09 -1.93 -3.22 117.51 118.47 1xr5 h ILE 440 Ca -0.06 -0.87 0.00 0.00 -1.37 0.00 0.00 64.86 62.57 1xr5 h ILE 440 Cb 1.29 1.80 -0.03 0.00 0.47 0.00 0.00 36.82 40.35 1xr5 h ILE 440 CO 0.13 0.05 0.40 1.23 -3.07 0.00 0.00 178.15 176.89 1xr5 h GLY 441 N 2.99 0.87 1.76 8.18 0.00 -1.67 -2.97 103.07 112.23 1xr5 h GLY 441 Ca -0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 1xr5 h GLY 441 CO 0.01 0.33 -0.40 1.70 0.00 0.00 0.00 176.54 178.17 1xr5 h LYS 442 N 0.84 0.27 0.00 4.80 1.63 -1.52 -3.01 116.57 119.58 1xr5 h LYS 442 Ca 0.23 -0.13 -0.08 0.00 -0.85 0.00 0.00 60.65 59.82 1xr5 h LYS 442 Cb -0.08 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 1xr5 h LYS 442 CO -0.05 0.63 -0.37 0.00 -3.45 0.00 0.00 179.45 176.21 1xr5 s LEU 444 N -7.38 4.37 -0.26 0.00 1.43 -1.13 -4.98 118.68 110.72 1xr5 s LEU 444 Ca -0.01 2.73 -0.19 0.00 -1.03 0.00 0.00 54.13 55.63 1xr5 s LEU 444 Cb 0.12 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 1xr5 s LEU 444 CO 0.69 -0.77 0.56 0.27 0.23 0.00 0.00 176.35 177.33 1xr5 s ILE 445 N 0.17 5.03 0.12 -0.59 -5.25 -1.26 -5.03 121.20 114.39 1xr5 s ILE 445 Ca 0.62 0.94 0.07 0.00 -0.99 0.00 0.00 60.65 61.29 1xr5 s ILE 445 Cb -0.44 -3.87 -0.04 0.00 2.95 0.00 0.00 42.46 41.06 1xr5 s ILE 445 CO 0.43 0.04 -0.11 -0.76 -1.79 0.00 0.00 174.94 172.75 1xr5 s LEU 446 N 2.39 3.00 0.23 0.37 2.01 -1.26 -4.98 118.68 120.45 1xr5 s LEU 446 Ca 0.23 -0.43 -0.30 0.00 0.01 0.00 0.00 54.13 53.65 1xr5 s LEU 446 Cb -0.16 -1.79 -0.09 0.00 0.01 0.00 0.00 46.19 44.17 1xr5 s LEU 446 CO 0.09 0.17 1.15 -2.16 1.01 0.00 0.00 176.35 176.61 1xr5 s PRO 447 N -2.29 4.56 0.64 1.29 0.05 -1.26 -5.03 135.00 132.95 1xr5 s PRO 447 Ca 0.22 1.85 -0.13 0.00 0.05 0.00 0.00 61.00 62.98 1xr5 s PRO 447 Cb -0.11 -3.21 -0.02 0.00 0.05 0.00 0.00 34.50 31.21 1xr5 s PRO 447 CO 0.14 0.06 1.05 -1.21 0.05 0.00 0.00 177.00 177.08 1xr5 s GLU 448 N -0.88 3.24 0.17 4.56 0.41 -1.26 -4.93 118.70 120.01 1xr5 s GLU 448 Ca 0.48 1.01 -0.15 0.00 -0.41 0.00 0.00 54.97 55.91 1xr5 s GLU 448 Cb -0.32 -2.03 0.08 0.00 -1.78 0.00 0.00 34.13 30.07 1xr5 s GLU 448 CO 0.39 -0.86 1.79 -0.92 -0.49 0.00 0.00 175.26 175.18 1xr5 h TYR 449 N -0.13 0.45 0.00 1.61 3.20 -1.98 -2.15 116.97 117.96 1xr5 h TYR 449 Ca -0.45 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.42 1xr5 h TYR 449 Cb 1.21 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.34 1xr5 h TYR 449 CO 0.62 0.24 -0.06 0.66 -1.64 0.00 0.00 178.16 177.98 1xr5 h SER 450 N 0.48 0.00 -0.12 -2.11 4.64 -1.99 -0.93 113.55 113.52 1xr5 h SER 450 Ca 0.18 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 1xr5 h SER 450 Cb 0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1xr5 h SER 450 CO -0.11 0.06 -0.06 0.58 -0.87 0.00 0.00 176.83 176.44 1xr5 h VAL 451 N 0.00 1.32 -0.47 0.95 2.07 -1.78 -2.70 116.25 115.64 1xr5 h VAL 451 Ca -0.00 -1.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.32 1xr5 h VAL 451 Cb 0.13 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1xr5 h VAL 451 CO 0.01 0.31 -0.18 -0.07 0.02 0.00 0.00 177.57 177.66 1xr5 h LEU 452 N -0.09 0.93 -0.85 2.57 4.07 -1.14 -1.41 115.31 119.38 1xr5 h LEU 452 Ca 0.03 -0.33 -0.05 0.00 0.08 0.00 0.00 57.88 57.61 1xr5 h LEU 452 Cb 0.51 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.97 1xr5 h LEU 452 CO 0.02 1.09 0.26 -0.09 -1.08 0.00 0.00 178.44 178.63 1xr5 h ARG 453 N 0.80 1.10 -0.15 1.13 2.43 -1.27 -2.20 114.38 116.23 1xr5 h ARG 453 Ca 0.11 -0.21 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 1xr5 h ARG 453 Cb 0.73 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1xr5 h ARG 453 CO 0.06 0.92 -0.19 -0.09 -1.51 0.00 0.00 179.97 179.15 1xr5 h ARG 454 N 1.07 0.39 -0.92 0.20 9.65 -1.19 -0.97 114.38 122.61 1xr5 h ARG 454 Ca 0.24 -0.22 0.13 0.00 -1.10 0.00 0.00 59.98 59.02 1xr5 h ARG 454 Cb 0.25 0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 28.76 1xr5 h ARG 454 CO -0.01 0.80 0.54 -0.09 2.80 0.00 0.00 179.97 184.00 1xr5 h ARG 455 N 0.01 0.81 -0.21 0.20 2.43 -1.22 0.05 114.38 116.45 1xr5 h ARG 455 Ca 0.02 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1xr5 h ARG 455 Cb 0.75 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1xr5 h ARG 455 CO 0.05 0.53 0.02 2.35 -1.51 0.00 0.00 179.97 181.41 1xr5 h TRP 456 N 0.83 0.38 -0.38 2.20 7.01 -1.19 -2.84 115.95 121.96 1xr5 h TRP 456 Ca 0.47 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.41 1xr5 h TRP 456 Cb 0.53 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.47 1xr5 h TRP 456 CO -0.04 0.52 0.23 -0.07 -2.79 0.00 0.00 178.44 176.28 1xr5 h LEU 457 N 0.14 0.47 -2.03 0.65 3.38 -0.47 -2.30 115.31 115.15 1xr5 h LEU 457 Ca 0.06 -0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.10 1xr5 h LEU 457 Cb 0.35 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1xr5 h LEU 457 CO 0.01 0.39 0.36 0.44 0.09 0.00 0.00 178.44 179.73 1xr5 h ASP 458 N 0.50 0.00 0.00 -0.43 3.32 -0.95 -1.06 116.42 117.80 1xr5 h ASP 458 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1xr5 h ASP 458 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1xr5 h ASP 458 CO -0.02 0.00 0.03 -0.07 -1.72 0.00 0.00 179.24 177.46 1xr5 h LEU 459 N 0.00 0.00 -1.66 1.55 4.07 -1.16 -3.51 115.31 114.60 1xr5 h LEU 459 Ca 0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1xr5 h LEU 459 Cb 0.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1xr5 h LEU 459 CO -0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.85